NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11099 | 1qwv | 5689 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1HT SER 1 -2.866 -16.101 -3.274 2 2H SER 1 2HT SER 1 -2.861 -14.673 -2.366 3 3H SER 1 3HT SER 1 -3.464 -14.664 -3.950 4 HA SER 1 HA SER 1 -5.251 -16.156 -3.287 5 1HB SER 1 2HB SER 1 -5.593 -16.454 -0.809 6 2HB SER 1 1HB SER 1 -4.187 -17.301 -1.457 7 HG SER 1 HG SER 1 -3.663 -16.208 0.462 8 HA PRO 2 HA PRO 2 -7.484 -12.385 -3.032 9 1HB PRO 2 2HB PRO 2 -9.915 -13.281 -2.154 10 2HB PRO 2 1HB PRO 2 -9.341 -13.453 -3.815 11 1HG PRO 2 2HG PRO 2 -9.348 -15.454 -1.595 12 2HG PRO 2 1HG PRO 2 -9.720 -15.683 -3.314 13 1HD PRO 2 2HD PRO 2 -7.347 -16.396 -2.242 14 2HD PRO 2 1HD PRO 2 -7.498 -15.807 -3.909 15 H GLU 3 H GLU 3 -7.288 -14.424 -0.210 16 HA GLU 3 HA GLU 3 -8.381 -12.977 1.805 17 1HB GLU 3 2HB GLU 3 -5.725 -14.412 1.790 18 2HB GLU 3 1HB GLU 3 -6.441 -13.747 3.249 19 1HG GLU 3 2HG GLU 3 -6.992 -16.010 3.273 20 2HG GLU 3 1HG GLU 3 -8.459 -15.194 2.735 21 H ILE 4 H ILE 4 -4.908 -12.586 1.025 22 HA ILE 4 HA ILE 4 -4.907 -10.082 2.395 23 HB ILE 4 HB ILE 4 -3.016 -11.786 2.413 24 1HG1 ILE 4 2HG1 ILE 4 -1.310 -10.081 2.676 25 2HG1 ILE 4 1HG1 ILE 4 -2.259 -8.935 1.730 26 1HG2 ILE 4 1HG2 ILE 4 -2.837 -12.195 0.034 27 2HG2 ILE 4 2HG2 ILE 4 -1.319 -11.537 0.644 28 3HG2 ILE 4 3HG2 ILE 4 -2.432 -10.502 -0.252 29 1HD1 ILE 4 1HD1 ILE 4 -3.005 -10.080 4.411 30 2HD1 ILE 4 2HD1 ILE 4 -3.975 -8.945 3.472 31 3HD1 ILE 4 3HD1 ILE 4 -2.402 -8.453 4.099 32 H MET 5 H MET 5 -5.637 -10.989 -0.744 33 HA MET 5 HA MET 5 -4.699 -8.669 -2.118 34 1HB MET 5 2HB MET 5 -6.605 -10.888 -2.761 35 2HB MET 5 1HB MET 5 -6.515 -9.473 -3.808 36 1HG MET 5 2HG MET 5 -4.141 -9.885 -4.171 37 2HG MET 5 1HG MET 5 -4.213 -11.279 -3.096 38 1HE MET 5 1HE MET 5 -6.400 -11.044 -7.155 39 2HE MET 5 2HE MET 5 -5.353 -9.768 -6.535 40 3HE MET 5 3HE MET 5 -6.889 -10.111 -5.740 41 H LYS 6 H LYS 6 -7.441 -9.449 -0.164 42 HA LYS 6 HA LYS 6 -8.998 -7.159 -0.889 43 1HB LYS 6 2HB LYS 6 -9.977 -9.151 0.224 44 2HB LYS 6 1HB LYS 6 -9.038 -8.789 1.665 45 1HG LYS 6 2HG LYS 6 -10.240 -6.682 1.926 46 2HG LYS 6 1HG LYS 6 -11.172 -7.029 0.467 47 1HD LYS 6 2HD LYS 6 -11.154 -8.700 2.981 48 2HD LYS 6 1HD LYS 6 -12.424 -7.571 2.509 49 1HE LYS 6 2HE LYS 6 -12.834 -8.892 0.483 50 2HE LYS 6 1HE LYS 6 -11.579 -10.028 0.973 51 1HZ LYS 6 1HZ LYS 6 -14.055 -9.452 2.509 52 2HZ LYS 6 2HZ LYS 6 -12.870 -10.601 2.914 53 3HZ LYS 6 3HZ LYS 6 -13.815 -10.809 1.522 54 H ASN 7 H ASN 7 -7.717 -5.369 -0.844 55 HA ASN 7 HA ASN 7 -5.840 -4.874 1.239 56 1HB ASN 7 2HB ASN 7 -6.824 -3.222 -1.076 57 2HB ASN 7 1HB ASN 7 -5.702 -2.574 0.116 58 1HD2 ASN 7 1HD2 ASN 7 -6.125 -4.821 -2.497 59 2HD2 ASN 7 2HD2 ASN 7 -4.453 -5.205 -2.697 60 H LEU 8 H LEU 8 -6.023 -3.791 3.048 61 HA LEU 8 HA LEU 8 -8.444 -3.154 4.233 62 1HB LEU 8 2HB LEU 8 -5.725 -1.991 4.846 63 2HB LEU 8 1HB LEU 8 -7.110 -1.975 5.922 64 HG LEU 8 HG LEU 8 -5.750 -4.484 4.944 65 1HD1 LEU 8 1HD1 LEU 8 -5.489 -3.044 7.581 66 2HD1 LEU 8 2HD1 LEU 8 -4.236 -3.207 6.352 67 3HD1 LEU 8 3HD1 LEU 8 -4.822 -4.633 7.208 68 1HD2 LEU 8 1HD2 LEU 8 -8.094 -4.794 5.528 69 2HD2 LEU 8 2HD2 LEU 8 -7.819 -4.022 7.090 70 3HD2 LEU 8 3HD2 LEU 8 -7.043 -5.563 6.718 71 H SER 9 H SER 9 -6.100 -0.987 2.670 72 HA SER 9 HA SER 9 -7.469 1.405 3.164 73 1HB SER 9 2HB SER 9 -5.584 0.716 0.897 74 2HB SER 9 1HB SER 9 -6.058 2.350 1.374 75 HG SER 9 HG SER 9 -4.054 0.974 2.313 76 H ASN 10 H ASN 10 -7.900 -1.029 0.699 77 HA ASN 10 HA ASN 10 -9.567 0.573 -0.998 78 1HB ASN 10 2HB ASN 10 -8.367 -1.282 -1.977 79 2HB ASN 10 1HB ASN 10 -9.102 -2.414 -0.845 80 1HD2 ASN 10 1HD2 ASN 10 -9.591 -0.469 -3.689 81 2HD2 ASN 10 2HD2 ASN 10 -11.063 -1.232 -4.185 82 H ASN 11 H ASN 11 -10.048 -1.712 1.620 83 HA ASN 11 HA ASN 11 -12.873 -1.876 1.407 84 1HB ASN 11 2HB ASN 11 -11.525 -3.542 2.635 85 2HB ASN 11 1HB ASN 11 -11.104 -2.316 3.825 86 1HD2 ASN 11 1HD2 ASN 11 -14.268 -2.677 2.343 87 2HD2 ASN 11 2HD2 ASN 11 -15.093 -3.148 3.793 88 H PHE 12 H PHE 12 -10.789 -0.102 3.694 89 HA PHE 12 HA PHE 12 -12.666 1.534 4.855 90 1HB PHE 12 2HB PHE 12 -9.790 2.038 4.168 91 2HB PHE 12 1HB PHE 12 -10.761 3.272 4.965 92 HD1 PHE 12 1HD PHE 12 -11.877 2.670 7.161 93 HD2 PHE 12 2HD PHE 12 -8.810 0.309 5.398 94 HE1 PHE 12 1HE PHE 12 -11.442 1.618 9.341 95 HE2 PHE 12 2HE PHE 12 -8.372 -0.751 7.573 96 HZ PHE 12 HZ PHE 12 -9.689 -0.098 9.550 97 H GLY 13 H GLY 13 -10.605 2.961 2.231 98 1HA GLY 13 2HA GLY 13 -11.082 4.685 0.800 99 2HA GLY 13 1HA GLY 13 -12.638 3.895 0.607 100 H LYS 14 H LYS 14 -11.429 5.382 3.594 101 HA LYS 14 HA LYS 14 -13.868 6.831 3.894 102 1HB LYS 14 2HB LYS 14 -12.903 5.967 5.876 103 2HB LYS 14 1HB LYS 14 -11.328 6.649 5.506 104 1HG LYS 14 2HG LYS 14 -12.357 7.874 7.305 105 2HG LYS 14 1HG LYS 14 -12.232 8.903 5.880 106 1HD LYS 14 2HD LYS 14 -14.598 8.465 5.373 107 2HD LYS 14 1HD LYS 14 -14.712 7.461 6.822 108 1HE LYS 14 2HE LYS 14 -14.199 9.363 8.224 109 2HE LYS 14 1HE LYS 14 -13.944 10.378 6.808 110 1HZ LYS 14 1HZ LYS 14 -16.517 9.123 7.600 111 2HZ LYS 14 2HZ LYS 14 -16.273 10.100 6.233 112 3HZ LYS 14 3HZ LYS 14 -16.109 10.758 7.786 113 H ALA 15 H ALA 15 -10.541 7.679 3.048 114 HA ALA 15 HA ALA 15 -11.460 10.344 2.286 115 1HB ALA 15 1HB ALA 15 -9.518 11.358 3.489 116 2HB ALA 15 2HB ALA 15 -9.277 9.813 4.292 117 3HB ALA 15 3HB ALA 15 -10.773 10.713 4.540 118 H MET 16 H MET 16 -10.998 10.099 0.163 119 HA MET 16 HA MET 16 -8.540 8.872 -0.699 120 1HB MET 16 2HB MET 16 -11.020 9.791 -1.987 121 2HB MET 16 1HB MET 16 -9.565 9.938 -2.966 122 1HG MET 16 2HG MET 16 -10.703 7.826 -3.361 123 2HG MET 16 1HG MET 16 -9.100 7.577 -2.676 124 1HE MET 16 1HE MET 16 -9.455 5.132 -1.880 125 2HE MET 16 2HE MET 16 -10.984 5.192 -2.756 126 3HE MET 16 3HE MET 16 -10.937 4.569 -1.106 127 H ASP 17 H ASP 17 -9.947 12.129 -0.759 128 HA ASP 17 HA ASP 17 -7.807 13.324 -2.174 129 1HB ASP 17 2HB ASP 17 -10.010 14.365 -2.083 130 2HB ASP 17 1HB ASP 17 -9.821 14.625 -0.350 131 H GLN 18 H GLN 18 -8.253 12.643 1.203 132 HA GLN 18 HA GLN 18 -6.124 14.493 1.874 133 1HB GLN 18 2HB GLN 18 -8.003 12.850 3.527 134 2HB GLN 18 1HB GLN 18 -6.570 13.580 4.247 135 1HG GLN 18 2HG GLN 18 -7.459 15.733 3.038 136 2HG GLN 18 1HG GLN 18 -8.997 14.887 3.120 137 1HE2 GLN 18 1HE2 GLN 18 -9.960 14.488 5.099 138 2HE2 GLN 18 2HE2 GLN 18 -9.446 15.271 6.551 139 H CYS 19 H CYS 19 -6.496 11.061 1.375 140 HA CYS 19 HA CYS 19 -3.853 10.485 2.319 141 1HB CYS 19 2HB CYS 19 -5.348 8.619 2.147 142 2HB CYS 19 1HB CYS 19 -5.691 8.969 0.464 143 H LYS 20 H LYS 20 -5.342 11.530 -0.654 144 HA LYS 20 HA LYS 20 -3.201 11.259 -2.427 145 1HB LYS 20 2HB LYS 20 -5.737 11.898 -2.746 146 2HB LYS 20 1HB LYS 20 -5.139 13.540 -2.600 147 1HG LYS 20 2HG LYS 20 -4.179 11.547 -4.643 148 2HG LYS 20 1HG LYS 20 -5.415 12.770 -4.933 149 1HD LYS 20 2HD LYS 20 -3.375 14.266 -3.910 150 2HD LYS 20 1HD LYS 20 -2.503 13.018 -4.805 151 1HE LYS 20 2HE LYS 20 -2.954 14.979 -6.193 152 2HE LYS 20 1HE LYS 20 -3.761 13.537 -6.810 153 1HZ LYS 20 1HZ LYS 20 -5.831 14.292 -5.977 154 2HZ LYS 20 2HZ LYS 20 -5.134 15.607 -6.792 155 3HZ LYS 20 3HZ LYS 20 -5.112 15.549 -5.094 156 H ASP 21 H ASP 21 -4.210 13.968 -0.358 157 HA ASP 21 HA ASP 21 -2.056 15.662 -1.114 158 1HB ASP 21 2HB ASP 21 -4.013 16.702 -0.219 159 2HB ASP 21 1HB ASP 21 -3.931 15.732 1.250 160 H GLU 22 H GLU 22 -2.517 13.369 1.546 161 HA GLU 22 HA GLU 22 -0.417 14.258 3.168 162 1HB GLU 22 2HB GLU 22 -2.270 12.598 3.727 163 2HB GLU 22 1HB GLU 22 -1.267 11.379 2.959 164 1HG GLU 22 2HG GLU 22 -0.818 11.189 5.237 165 2HG GLU 22 1HG GLU 22 0.549 12.074 4.581 166 H LEU 23 H LEU 23 -0.420 11.750 0.604 167 HA LEU 23 HA LEU 23 2.460 11.446 0.923 168 1HB LEU 23 2HB LEU 23 0.625 10.200 -1.122 169 2HB LEU 23 1HB LEU 23 2.295 9.757 -0.826 170 HG LEU 23 HG LEU 23 -0.083 9.302 0.951 171 1HD1 LEU 23 1HD1 LEU 23 0.359 7.629 -0.781 172 2HD1 LEU 23 2HD1 LEU 23 0.636 6.985 0.836 173 3HD1 LEU 23 3HD1 LEU 23 2.005 7.444 -0.175 174 1HD2 LEU 23 1HD2 LEU 23 2.089 10.274 1.963 175 2HD2 LEU 23 2HD2 LEU 23 2.690 8.617 1.776 176 3HD2 LEU 23 3HD2 LEU 23 1.257 8.935 2.764 177 H SER 24 H SER 24 0.445 13.531 -0.576 178 HA SER 24 HA SER 24 0.544 15.019 -2.281 179 1HB SER 24 2HB SER 24 3.521 14.582 -1.927 180 2HB SER 24 1HB SER 24 2.790 15.919 -2.818 181 HG SER 24 HG SER 24 1.619 16.300 -0.722 182 H LEU 25 H LEU 25 0.096 12.360 -2.941 183 HA LEU 25 HA LEU 25 1.629 11.239 -4.968 184 1HB LEU 25 2HB LEU 25 -1.374 11.153 -4.695 185 2HB LEU 25 1HB LEU 25 -0.444 10.086 -5.717 186 HG LEU 25 HG LEU 25 0.752 9.592 -3.355 187 1HD1 LEU 25 1HD1 LEU 25 -0.974 9.425 -1.639 188 2HD1 LEU 25 2HD1 LEU 25 -2.114 10.242 -2.709 189 3HD1 LEU 25 3HD1 LEU 25 -0.690 11.098 -2.119 190 1HD2 LEU 25 1HD2 LEU 25 -0.633 7.617 -3.194 191 2HD2 LEU 25 2HD2 LEU 25 -0.148 7.921 -4.864 192 3HD2 LEU 25 3HD2 LEU 25 -1.786 8.311 -4.334 193 HA PRO 26 HA PRO 26 0.991 14.169 -8.338 194 1HB PRO 26 2HB PRO 26 2.453 12.041 -9.804 195 2HB PRO 26 1HB PRO 26 2.807 13.769 -9.684 196 1HG PRO 26 2HG PRO 26 4.316 12.008 -8.389 197 2HG PRO 26 1HG PRO 26 3.859 13.539 -7.614 198 1HD PRO 26 2HD PRO 26 2.667 10.814 -7.266 199 2HD PRO 26 1HD PRO 26 3.119 11.989 -6.011 200 H ASP 27 H ASP 27 -0.209 14.065 -10.325 201 HA ASP 27 HA ASP 27 -2.470 12.430 -10.085 202 1HB ASP 27 2HB ASP 27 -3.081 13.286 -12.379 203 2HB ASP 27 1HB ASP 27 -2.786 14.509 -11.153 204 H SER 28 H SER 28 0.443 12.009 -11.950 205 HA SER 28 HA SER 28 -0.475 9.970 -13.650 206 1HB SER 28 2HB SER 28 2.075 9.365 -13.609 207 2HB SER 28 1HB SER 28 1.547 10.893 -14.315 208 HG SER 28 HG SER 28 2.277 11.982 -12.581 209 H VAL 29 H VAL 29 0.876 9.848 -10.373 210 HA VAL 29 HA VAL 29 1.065 6.997 -10.388 211 HB VAL 29 HB VAL 29 1.113 8.795 -7.976 212 1HG1 VAL 29 1HG1 VAL 29 2.484 6.849 -7.112 213 2HG1 VAL 29 2HG1 VAL 29 1.923 5.945 -8.506 214 3HG1 VAL 29 3HG1 VAL 29 0.768 6.552 -7.320 215 1HG2 VAL 29 1HG2 VAL 29 3.408 7.838 -9.693 216 2HG2 VAL 29 2HG2 VAL 29 3.552 8.734 -8.181 217 3HG2 VAL 29 3HG2 VAL 29 2.815 9.497 -9.589 218 H VAL 30 H VAL 30 -1.091 9.285 -8.635 219 HA VAL 30 HA VAL 30 -2.569 7.269 -7.390 220 HB VAL 30 HB VAL 30 -2.537 9.657 -6.734 221 1HG1 VAL 30 1HG1 VAL 30 -4.401 10.978 -7.649 222 2HG1 VAL 30 2HG1 VAL 30 -4.465 9.869 -9.009 223 3HG1 VAL 30 3HG1 VAL 30 -3.006 10.824 -8.701 224 1HG2 VAL 30 1HG2 VAL 30 -4.011 8.052 -5.688 225 2HG2 VAL 30 2HG2 VAL 30 -5.209 8.292 -6.960 226 3HG2 VAL 30 3HG2 VAL 30 -4.816 9.610 -5.857 227 H ALA 31 H ALA 31 -2.821 8.648 -10.592 228 HA ALA 31 HA ALA 31 -5.359 7.571 -11.280 229 1HB ALA 31 1HB ALA 31 -3.047 8.211 -13.090 230 2HB ALA 31 2HB ALA 31 -4.235 9.386 -12.519 231 3HB ALA 31 3HB ALA 31 -4.741 8.055 -13.562 232 H ASP 32 H ASP 32 -2.039 6.456 -12.000 233 HA ASP 32 HA ASP 32 -2.827 4.039 -13.233 234 1HB ASP 32 2HB ASP 32 -0.585 4.970 -13.528 235 2HB ASP 32 1HB ASP 32 -0.240 4.722 -11.818 236 H LEU 33 H LEU 33 -2.067 4.915 -9.932 237 HA LEU 33 HA LEU 33 -2.219 2.452 -8.676 238 1HB LEU 33 2HB LEU 33 -1.533 4.205 -7.357 239 2HB LEU 33 1HB LEU 33 -2.799 5.268 -7.922 240 HG LEU 33 HG LEU 33 -3.855 3.046 -6.361 241 1HD1 LEU 33 1HD1 LEU 33 -1.845 4.932 -5.154 242 2HD1 LEU 33 2HD1 LEU 33 -1.768 3.167 -5.180 243 3HD1 LEU 33 3HD1 LEU 33 -2.999 3.984 -4.215 244 1HD2 LEU 33 1HD2 LEU 33 -4.033 6.022 -6.485 245 2HD2 LEU 33 2HD2 LEU 33 -4.718 5.143 -5.116 246 3HD2 LEU 33 3HD2 LEU 33 -5.294 4.817 -6.751 247 H TYR 34 H TYR 34 -4.880 4.608 -9.664 248 HA TYR 34 HA TYR 34 -6.878 2.811 -8.665 249 1HB TYR 34 2HB TYR 34 -7.034 5.254 -10.410 250 2HB TYR 34 1HB TYR 34 -8.455 4.286 -10.021 251 HD1 TYR 34 1HD TYR 34 -7.313 7.254 -9.231 252 HD2 TYR 34 2HD TYR 34 -7.951 3.549 -7.238 253 HE1 TYR 34 1HE TYR 34 -7.501 8.441 -7.087 254 HE2 TYR 34 2HE TYR 34 -8.144 4.728 -5.092 255 HH TYR 34 HH TYR 34 -7.327 6.868 -4.127 256 H ASN 35 H ASN 35 -4.886 2.054 -11.084 257 HA ASN 35 HA ASN 35 -6.646 1.398 -13.208 258 1HB ASN 35 2HB ASN 35 -4.213 1.534 -13.530 259 2HB ASN 35 1HB ASN 35 -3.987 0.157 -12.458 260 1HD2 ASN 35 1HD2 ASN 35 -2.879 -0.829 -14.234 261 2HD2 ASN 35 2HD2 ASN 35 -3.790 -1.596 -15.496 262 H PHE 36 H PHE 36 -8.332 0.109 -12.950 263 HA PHE 36 HA PHE 36 -8.419 -1.778 -10.779 264 1HB PHE 36 2HB PHE 36 -10.335 -0.273 -11.526 265 2HB PHE 36 1HB PHE 36 -10.535 -1.369 -12.888 266 HD1 PHE 36 1HD PHE 36 -11.808 -3.310 -12.665 267 HD2 PHE 36 2HD PHE 36 -10.486 -1.253 -9.186 268 HE1 PHE 36 1HE PHE 36 -13.206 -4.775 -11.272 269 HE2 PHE 36 2HE PHE 36 -11.882 -2.714 -7.784 270 HZ PHE 36 HZ PHE 36 -13.243 -4.479 -8.826 271 H TRP 37 H TRP 37 -7.659 -1.901 -14.115 272 HA TRP 37 HA TRP 37 -8.346 -4.649 -14.520 273 1HB TRP 37 2HB TRP 37 -6.540 -2.764 -16.047 274 2HB TRP 37 1HB TRP 37 -6.870 -4.418 -16.554 275 HD1 TRP 37 HD TRP 37 -9.354 -4.962 -17.428 276 HE1 TRP 37 1HE TRP 37 -11.198 -3.442 -18.389 277 HE3 TRP 37 3HE TRP 37 -7.557 -0.430 -15.882 278 HZ2 TRP 37 2HZ TRP 37 -11.803 -0.689 -18.480 279 HZ3 TRP 37 3HZ TRP 37 -8.831 1.597 -16.448 280 HH2 TRP 37 HH TRP 37 -10.910 1.469 -17.721 281 H LYS 38 H LYS 38 -7.155 -6.437 -14.152 282 HA LYS 38 HA LYS 38 -4.995 -6.118 -12.274 283 1HB LYS 38 2HB LYS 38 -5.126 -8.598 -12.095 284 2HB LYS 38 1HB LYS 38 -6.651 -7.780 -11.780 285 1HG LYS 38 2HG LYS 38 -7.427 -8.339 -14.020 286 2HG LYS 38 1HG LYS 38 -5.888 -9.126 -14.366 287 1HD LYS 38 2HD LYS 38 -7.471 -10.829 -13.808 288 2HD LYS 38 1HD LYS 38 -6.340 -10.678 -12.463 289 1HE LYS 38 2HE LYS 38 -7.941 -9.424 -11.184 290 2HE LYS 38 1HE LYS 38 -9.046 -9.351 -12.557 291 1HZ LYS 38 1HZ LYS 38 -9.208 -11.796 -12.446 292 2HZ LYS 38 2HZ LYS 38 -9.781 -11.038 -11.043 293 3HZ LYS 38 3HZ LYS 38 -8.258 -11.782 -11.039 294 H ASP 39 H ASP 39 -4.091 -5.116 -14.610 295 HA ASP 39 HA ASP 39 -2.579 -6.555 -16.316 296 1HB ASP 39 2HB ASP 39 -2.544 -4.112 -16.207 297 2HB ASP 39 1HB ASP 39 -1.568 -4.181 -14.743 298 H ASP 40 H ASP 40 -1.609 -6.104 -12.865 299 HA ASP 40 HA ASP 40 -0.151 -7.187 -11.557 300 1HB ASP 40 2HB ASP 40 -1.217 -9.257 -12.453 301 2HB ASP 40 1HB ASP 40 -0.004 -9.290 -13.730 302 H TYR 41 H TYR 41 0.936 -5.168 -12.484 303 HA TYR 41 HA TYR 41 3.337 -5.849 -13.982 304 1HB TYR 41 2HB TYR 41 3.629 -3.545 -14.428 305 2HB TYR 41 1HB TYR 41 1.923 -3.868 -14.642 306 HD1 TYR 41 1HD TYR 41 2.973 -1.153 -14.405 307 HD2 TYR 41 2HD TYR 41 1.745 -3.839 -11.352 308 HE1 TYR 41 1HE TYR 41 2.459 0.753 -12.945 309 HE2 TYR 41 2HE TYR 41 1.209 -1.942 -9.885 310 HH TYR 41 HH TYR 41 0.992 1.245 -11.015 311 H VAL 42 H VAL 42 5.279 -4.429 -13.247 312 HA VAL 42 HA VAL 42 5.892 -5.195 -10.527 313 HB VAL 42 HB VAL 42 7.630 -3.671 -12.478 314 1HG1 VAL 42 1HG1 VAL 42 8.369 -3.496 -10.173 315 2HG1 VAL 42 2HG1 VAL 42 9.478 -4.509 -11.099 316 3HG1 VAL 42 3HG1 VAL 42 8.312 -5.249 -10.003 317 1HG2 VAL 42 1HG2 VAL 42 6.965 -5.800 -13.457 318 2HG2 VAL 42 2HG2 VAL 42 7.490 -6.647 -12.001 319 3HG2 VAL 42 3HG2 VAL 42 8.671 -5.818 -13.015 320 H MET 43 H MET 43 5.694 -3.897 -8.834 321 HA MET 43 HA MET 43 4.685 -1.265 -9.013 322 1HB MET 43 2HB MET 43 4.335 -2.866 -7.119 323 2HB MET 43 1HB MET 43 6.006 -2.595 -6.646 324 1HG MET 43 2HG MET 43 5.562 -0.299 -6.158 325 2HG MET 43 1HG MET 43 3.930 -0.428 -6.818 326 1HE MET 43 1HE MET 43 3.253 -3.412 -5.700 327 2HE MET 43 2HE MET 43 2.079 -2.097 -5.741 328 3HE MET 43 3HE MET 43 2.347 -2.994 -4.246 329 H THR 44 H THR 44 5.881 0.290 -9.910 330 HA THR 44 HA THR 44 8.765 0.297 -9.438 331 HB THR 44 HB THR 44 8.653 2.019 -11.375 332 HG1 THR 44 1HG THR 44 6.728 1.354 -12.728 333 1HG2 THR 44 1HG2 THR 44 7.978 -0.892 -11.840 334 2HG2 THR 44 2HG2 THR 44 9.592 -0.230 -11.592 335 3HG2 THR 44 3HG2 THR 44 8.671 0.208 -13.029 336 H ASP 45 H ASP 45 5.917 2.208 -8.820 337 HA ASP 45 HA ASP 45 7.587 4.497 -8.052 338 1HB ASP 45 2HB ASP 45 5.643 4.834 -9.616 339 2HB ASP 45 1HB ASP 45 4.599 4.499 -8.242 340 H ARG 46 H ARG 46 8.145 4.727 -6.115 341 HA ARG 46 HA ARG 46 7.341 3.548 -3.810 342 1HB ARG 46 2HB ARG 46 8.218 5.463 -2.574 343 2HB ARG 46 1HB ARG 46 9.277 5.015 -3.898 344 1HG ARG 46 2HG ARG 46 7.339 7.339 -3.934 345 2HG ARG 46 1HG ARG 46 9.064 7.449 -3.587 346 1HD ARG 46 2HD ARG 46 7.879 6.434 -6.161 347 2HD ARG 46 1HD ARG 46 8.560 8.036 -5.914 348 HE ARG 46 HE ARG 46 10.633 6.538 -5.216 349 1HH1 ARG 46 1HH1 ARG 46 8.463 6.289 -7.969 350 2HH1 ARG 46 2HH1 ARG 46 9.627 5.472 -8.965 351 1HH2 ARG 46 1HH2 ARG 46 12.161 5.488 -6.539 352 2HH2 ARG 46 2HH2 ARG 46 11.737 5.013 -8.158 353 H LEU 47 H LEU 47 5.702 6.362 -5.290 354 HA LEU 47 HA LEU 47 4.138 6.917 -2.993 355 1HB LEU 47 2HB LEU 47 3.943 7.751 -5.868 356 2HB LEU 47 1HB LEU 47 2.610 8.073 -4.777 357 HG LEU 47 HG LEU 47 3.878 10.042 -4.827 358 1HD1 LEU 47 1HD1 LEU 47 3.228 9.246 -2.585 359 2HD1 LEU 47 2HD1 LEU 47 4.622 10.326 -2.580 360 3HD1 LEU 47 3HD1 LEU 47 4.851 8.587 -2.386 361 1HD2 LEU 47 1HD2 LEU 47 5.866 9.258 -5.899 362 2HD2 LEU 47 2HD2 LEU 47 6.325 8.334 -4.467 363 3HD2 LEU 47 3HD2 LEU 47 6.312 10.098 -4.413 364 H ALA 48 H ALA 48 3.930 4.449 -5.343 365 HA ALA 48 HA ALA 48 1.083 4.043 -5.044 366 1HB ALA 48 1HB ALA 48 2.441 3.527 -7.137 367 2HB ALA 48 2HB ALA 48 1.315 2.283 -6.596 368 3HB ALA 48 3HB ALA 48 3.039 2.113 -6.270 369 H GLY 49 H GLY 49 3.902 1.936 -4.545 370 1HA GLY 49 2HA GLY 49 3.183 0.226 -2.627 371 2HA GLY 49 1HA GLY 49 4.720 1.062 -2.550 372 H CYS 50 H CYS 50 4.009 3.647 -1.742 373 HA CYS 50 HA CYS 50 3.478 3.240 0.994 374 1HB CYS 50 2HB CYS 50 3.831 5.651 -0.732 375 2HB CYS 50 1HB CYS 50 3.159 5.859 0.878 376 H ALA 51 H ALA 51 1.437 4.401 -1.671 377 HA ALA 51 HA ALA 51 -0.701 5.307 -0.078 378 1HB ALA 51 1HB ALA 51 -0.407 5.938 -2.423 379 2HB ALA 51 2HB ALA 51 -2.019 5.289 -2.112 380 3HB ALA 51 3HB ALA 51 -0.804 4.290 -2.910 381 H ILE 52 H ILE 52 0.215 2.110 -1.077 382 HA ILE 52 HA ILE 52 -2.215 0.755 -0.821 383 HB ILE 52 HB ILE 52 0.542 -0.253 -0.095 384 1HG1 ILE 52 2HG1 ILE 52 -1.041 -0.466 -2.668 385 2HG1 ILE 52 1HG1 ILE 52 0.370 0.556 -2.412 386 1HG2 ILE 52 1HG2 ILE 52 -1.214 -1.643 0.873 387 2HG2 ILE 52 2HG2 ILE 52 -0.396 -2.489 -0.441 388 3HG2 ILE 52 3HG2 ILE 52 -1.989 -1.780 -0.705 389 1HD1 ILE 52 1HD1 ILE 52 0.324 -2.449 -2.313 390 2HD1 ILE 52 2HD1 ILE 52 1.737 -1.429 -2.048 391 3HD1 ILE 52 3HD1 ILE 52 0.954 -1.457 -3.628 392 H ASN 53 H ASN 53 0.111 1.751 1.642 393 HA ASN 53 HA ASN 53 -1.804 0.859 3.703 394 1HB ASN 53 2HB ASN 53 0.134 0.797 5.258 395 2HB ASN 53 1HB ASN 53 0.316 -0.319 3.908 396 1HD2 ASN 53 1HD2 ASN 53 1.480 2.583 5.405 397 2HD2 ASN 53 2HD2 ASN 53 2.919 2.745 4.451 398 H CYS 54 H CYS 54 -2.255 3.232 2.401 399 HA CYS 54 HA CYS 54 -1.179 5.322 4.139 400 1HB CYS 54 2HB CYS 54 -0.953 5.859 1.850 401 2HB CYS 54 1HB CYS 54 -2.602 5.366 1.488 402 H LEU 55 H LEU 55 -4.318 4.047 3.030 403 HA LEU 55 HA LEU 55 -5.916 5.992 4.258 404 1HB LEU 55 2HB LEU 55 -6.426 3.213 3.289 405 2HB LEU 55 1HB LEU 55 -7.664 4.038 4.212 406 HG LEU 55 HG LEU 55 -8.103 4.269 1.845 407 1HD1 LEU 55 1HD1 LEU 55 -8.726 6.122 3.284 408 2HD1 LEU 55 2HD1 LEU 55 -8.245 6.701 1.688 409 3HD1 LEU 55 3HD1 LEU 55 -7.137 6.853 3.053 410 1HD2 LEU 55 1HD2 LEU 55 -5.832 4.009 0.996 411 2HD2 LEU 55 2HD2 LEU 55 -5.396 5.584 1.657 412 3HD2 LEU 55 3HD2 LEU 55 -6.583 5.472 0.357 413 H ALA 56 H ALA 56 -5.124 2.716 5.431 414 HA ALA 56 HA ALA 56 -6.608 3.206 7.858 415 1HB ALA 56 1HB ALA 56 -4.925 0.832 7.063 416 2HB ALA 56 2HB ALA 56 -6.659 1.006 6.788 417 3HB ALA 56 3HB ALA 56 -6.032 0.907 8.434 418 H THR 57 H THR 57 -3.390 3.591 6.798 419 HA THR 57 HA THR 57 -2.287 3.489 9.458 420 HB THR 57 HB THR 57 -1.068 4.095 6.780 421 HG1 THR 57 1HG THR 57 -1.111 1.980 8.602 422 1HG2 THR 57 1HG2 THR 57 0.200 4.319 9.494 423 2HG2 THR 57 2HG2 THR 57 0.057 5.590 8.281 424 3HG2 THR 57 3HG2 THR 57 1.115 4.206 7.991 425 H LYS 58 H LYS 58 -3.072 6.036 7.053 426 HA LYS 58 HA LYS 58 -2.236 8.124 8.811 427 1HB LYS 58 2HB LYS 58 -4.049 8.227 6.400 428 2HB LYS 58 1HB LYS 58 -3.452 9.637 7.256 429 1HG LYS 58 2HG LYS 58 -1.721 7.615 5.841 430 2HG LYS 58 1HG LYS 58 -2.221 9.164 5.174 431 1HD LYS 58 2HD LYS 58 -0.141 8.544 7.192 432 2HD LYS 58 1HD LYS 58 -0.197 9.799 5.961 433 1HE LYS 58 2HE LYS 58 -1.847 11.032 7.338 434 2HE LYS 58 1HE LYS 58 -1.649 9.821 8.602 435 1HZ LYS 58 1HZ LYS 58 0.257 11.863 7.674 436 2HZ LYS 58 2HZ LYS 58 0.837 10.439 8.393 437 3HZ LYS 58 3HZ LYS 58 -0.205 11.460 9.258 438 H LEU 59 H LEU 59 -5.095 6.216 8.637 439 HA LEU 59 HA LEU 59 -6.868 7.885 9.989 440 1HB LEU 59 2HB LEU 59 -7.111 5.512 8.917 441 2HB LEU 59 1HB LEU 59 -6.708 4.955 10.531 442 HG LEU 59 HG LEU 59 -8.902 6.933 10.174 443 1HD1 LEU 59 1HD1 LEU 59 -9.281 5.174 8.530 444 2HD1 LEU 59 2HD1 LEU 59 -10.489 5.142 9.814 445 3HD1 LEU 59 3HD1 LEU 59 -9.180 3.958 9.802 446 1HD2 LEU 59 1HD2 LEU 59 -9.806 5.782 12.139 447 2HD2 LEU 59 2HD2 LEU 59 -8.168 6.362 12.438 448 3HD2 LEU 59 3HD2 LEU 59 -8.453 4.654 12.103 449 H ASP 60 H ASP 60 -4.968 5.205 11.400 450 HA ASP 60 HA ASP 60 -3.825 6.679 13.502 451 1HB ASP 60 2HB ASP 60 -6.169 6.839 14.305 452 2HB ASP 60 1HB ASP 60 -6.265 5.081 14.328 453 H VAL 61 H VAL 61 -2.033 5.511 13.919 454 HA VAL 61 HA VAL 61 -2.061 2.763 14.597 455 HB VAL 61 HB VAL 61 -2.616 2.688 12.119 456 1HG1 VAL 61 1HG1 VAL 61 -1.162 4.455 11.354 457 2HG1 VAL 61 2HG1 VAL 61 -0.761 2.938 10.546 458 3HG1 VAL 61 3HG1 VAL 61 0.256 3.534 11.858 459 1HG2 VAL 61 1HG2 VAL 61 -0.928 0.882 11.625 460 2HG2 VAL 61 2HG2 VAL 61 -1.903 0.672 13.082 461 3HG2 VAL 61 3HG2 VAL 61 -0.234 1.230 13.209 462 H VAL 62 H VAL 62 -0.793 5.306 15.408 463 HA VAL 62 HA VAL 62 2.003 4.842 14.706 464 HB VAL 62 HB VAL 62 2.511 6.976 15.763 465 1HG1 VAL 62 1HG1 VAL 62 1.289 8.425 14.201 466 2HG1 VAL 62 2HG1 VAL 62 0.193 7.089 13.850 467 3HG1 VAL 62 3HG1 VAL 62 1.900 6.960 13.431 468 1HG2 VAL 62 1HG2 VAL 62 0.729 8.449 16.580 469 2HG2 VAL 62 2HG2 VAL 62 0.847 6.981 17.549 470 3HG2 VAL 62 3HG2 VAL 62 -0.443 7.152 16.359 471 H ASP 63 H ASP 63 3.201 3.550 15.903 472 HA ASP 63 HA ASP 63 2.542 2.762 18.536 473 1HB ASP 63 2HB ASP 63 4.114 1.694 16.634 474 2HB ASP 63 1HB ASP 63 5.353 2.468 17.610 475 HA PRO 64 HA PRO 64 5.822 5.762 20.115 476 1HB PRO 64 2HB PRO 64 7.529 6.914 18.213 477 2HB PRO 64 1HB PRO 64 7.825 5.414 19.096 478 1HG PRO 64 2HG PRO 64 7.437 5.637 16.332 479 2HG PRO 64 1HG PRO 64 7.352 4.141 17.278 480 1HD PRO 64 2HD PRO 64 5.127 5.960 16.410 481 2HD PRO 64 1HD PRO 64 5.188 4.188 16.392 482 H ASP 65 H ASP 65 7.070 8.185 18.845 483 HA ASP 65 HA ASP 65 5.080 9.988 19.799 484 1HB ASP 65 2HB ASP 65 6.754 11.690 19.491 485 2HB ASP 65 1HB ASP 65 7.545 10.255 20.120 486 H GLY 66 H GLY 66 5.404 8.611 16.821 487 1HA GLY 66 2HA GLY 66 3.508 9.806 15.370 488 2HA GLY 66 1HA GLY 66 4.801 10.988 15.254 489 H ASN 67 H ASN 67 6.984 9.893 14.821 490 HA ASN 67 HA ASN 67 6.750 8.429 12.321 491 1HB ASN 67 2HB ASN 67 9.330 8.650 12.467 492 2HB ASN 67 1HB ASN 67 8.390 10.124 12.234 493 1HD2 ASN 67 1HD2 ASN 67 10.135 8.185 14.594 494 2HD2 ASN 67 2HD2 ASN 67 10.366 9.470 15.743 495 H LEU 68 H LEU 68 8.130 6.500 11.952 496 HA LEU 68 HA LEU 68 9.116 4.522 12.460 497 1HB LEU 68 2HB LEU 68 10.086 6.261 14.340 498 2HB LEU 68 1HB LEU 68 9.407 5.002 15.347 499 HG LEU 68 HG LEU 68 11.841 4.747 14.888 500 1HD1 LEU 68 1HD1 LEU 68 10.450 2.844 15.510 501 2HD1 LEU 68 2HD1 LEU 68 11.770 2.377 14.438 502 3HD1 LEU 68 3HD1 LEU 68 10.129 2.523 13.807 503 1HD2 LEU 68 1HD2 LEU 68 11.012 4.036 12.082 504 2HD2 LEU 68 2HD2 LEU 68 12.644 4.096 12.746 505 3HD2 LEU 68 3HD2 LEU 68 11.722 5.585 12.536 506 H HIS 69 H HIS 69 6.222 4.977 12.759 507 HA HIS 69 HA HIS 69 5.295 3.307 14.864 508 1HB HIS 69 2HB HIS 69 3.137 3.318 13.445 509 2HB HIS 69 1HB HIS 69 3.698 4.846 14.106 510 HD1 HIS 69 1HD HIS 69 3.717 2.940 10.806 511 HD2 HIS 69 2HD HIS 69 4.080 6.820 12.262 512 HE1 HIS 69 1HE HIS 69 3.729 4.428 8.783 513 HE2 HIS 69 2HE HIS 69 4.176 6.741 9.678 514 H HIS 70 H HIS 70 6.811 1.537 14.469 515 HA HIS 70 HA HIS 70 6.289 -0.154 12.175 516 1HB HIS 70 2HB HIS 70 8.110 -1.570 13.042 517 2HB HIS 70 1HB HIS 70 8.599 0.111 12.895 518 HD1 HIS 70 1HD HIS 70 8.992 -2.628 15.087 519 HD2 HIS 70 2HD HIS 70 8.262 1.431 15.648 520 HE1 HIS 70 1HE HIS 70 9.639 -2.139 17.468 521 HE2 HIS 70 2HE HIS 70 8.984 0.265 17.839 522 H GLY 71 H GLY 71 5.921 -0.437 15.703 523 1HA GLY 71 2HA GLY 71 5.184 -3.140 15.733 524 2HA GLY 71 1HA GLY 71 4.874 -1.981 17.014 525 H ASN 72 H ASN 72 3.077 -0.340 16.311 526 HA ASN 72 HA ASN 72 0.693 -1.737 16.288 527 1HB ASN 72 2HB ASN 72 1.394 1.130 15.889 528 2HB ASN 72 1HB ASN 72 -0.249 0.613 15.519 529 1HD2 ASN 72 1HD2 ASN 72 0.589 2.403 17.607 530 2HD2 ASN 72 2HD2 ASN 72 0.112 1.683 19.102 531 H ALA 73 H ALA 73 2.528 -0.595 13.504 532 HA ALA 73 HA ALA 73 0.361 -0.766 11.669 533 1HB ALA 73 1HB ALA 73 2.369 0.567 11.210 534 2HB ALA 73 2HB ALA 73 2.049 -0.602 9.929 535 3HB ALA 73 3HB ALA 73 3.320 -0.915 11.110 536 H LYS 74 H LYS 74 2.868 -3.012 12.725 537 HA LYS 74 HA LYS 74 2.010 -5.059 10.884 538 1HB LYS 74 2HB LYS 74 3.877 -5.117 13.258 539 2HB LYS 74 1HB LYS 74 3.567 -6.503 12.226 540 1HG LYS 74 2HG LYS 74 4.563 -5.438 10.349 541 2HG LYS 74 1HG LYS 74 4.636 -3.891 11.196 542 1HD LYS 74 2HD LYS 74 6.825 -5.024 11.078 543 2HD LYS 74 1HD LYS 74 6.279 -4.768 12.736 544 1HE LYS 74 2HE LYS 74 5.645 -7.350 11.384 545 2HE LYS 74 1HE LYS 74 7.285 -7.078 11.971 546 1HZ LYS 74 1HZ LYS 74 5.662 -8.205 13.545 547 2HZ LYS 74 2HZ LYS 74 4.928 -6.685 13.722 548 3HZ LYS 74 3HZ LYS 74 6.549 -6.896 14.163 549 H ASP 75 H ASP 75 1.516 -4.230 14.247 550 HA ASP 75 HA ASP 75 0.090 -6.541 15.021 551 1HB ASP 75 2HB ASP 75 1.057 -4.938 16.620 552 2HB ASP 75 1HB ASP 75 -0.085 -3.711 16.086 553 H PHE 76 H PHE 76 -0.925 -3.441 13.642 554 HA PHE 76 HA PHE 76 -3.705 -3.878 13.746 555 1HB PHE 76 2HB PHE 76 -2.684 -1.666 13.328 556 2HB PHE 76 1HB PHE 76 -2.125 -2.232 11.758 557 HD1 PHE 76 1HD PHE 76 -3.477 -1.994 9.875 558 HD2 PHE 76 2HD PHE 76 -5.207 -1.673 13.749 559 HE1 PHE 76 1HE PHE 76 -5.600 -1.278 8.863 560 HE2 PHE 76 2HE PHE 76 -7.333 -0.955 12.743 561 HZ PHE 76 HZ PHE 76 -7.532 -0.760 10.297 562 H ALA 77 H ALA 77 -1.263 -4.709 11.329 563 HA ALA 77 HA ALA 77 -3.087 -5.616 9.351 564 1HB ALA 77 1HB ALA 77 -1.047 -6.820 8.463 565 2HB ALA 77 2HB ALA 77 -0.164 -6.139 9.829 566 3HB ALA 77 3HB ALA 77 -0.906 -5.072 8.636 567 H MET 78 H MET 78 -1.433 -7.211 12.021 568 HA MET 78 HA MET 78 -2.255 -9.840 11.274 569 1HB MET 78 2HB MET 78 -1.203 -8.762 13.892 570 2HB MET 78 1HB MET 78 -1.529 -10.463 13.595 571 1HG MET 78 2HG MET 78 0.094 -10.393 11.728 572 2HG MET 78 1HG MET 78 0.482 -8.736 12.184 573 1HE MET 78 1HE MET 78 0.297 -8.921 15.376 574 2HE MET 78 2HE MET 78 1.590 -8.071 14.531 575 3HE MET 78 3HE MET 78 1.981 -9.246 15.786 576 H LYS 79 H LYS 79 -3.764 -7.279 13.080 577 HA LYS 79 HA LYS 79 -5.774 -9.130 14.081 578 1HB LYS 79 2HB LYS 79 -5.483 -6.138 14.468 579 2HB LYS 79 1HB LYS 79 -6.742 -7.129 15.190 580 1HG LYS 79 2HG LYS 79 -5.113 -8.364 16.457 581 2HG LYS 79 1HG LYS 79 -3.794 -7.512 15.653 582 1HD LYS 79 2HD LYS 79 -5.874 -6.297 17.473 583 2HD LYS 79 1HD LYS 79 -4.175 -6.579 17.861 584 1HE LYS 79 2HE LYS 79 -3.588 -5.063 15.945 585 2HE LYS 79 1HE LYS 79 -5.301 -4.665 15.824 586 1HZ LYS 79 1HZ LYS 79 -3.494 -4.156 18.119 587 2HZ LYS 79 2HZ LYS 79 -5.176 -3.935 18.184 588 3HZ LYS 79 3HZ LYS 79 -4.240 -3.004 17.122 589 H HIS 80 H HIS 80 -5.233 -7.255 11.286 590 HA HIS 80 HA HIS 80 -8.022 -7.620 10.499 591 1HB HIS 80 2HB HIS 80 -6.614 -4.953 10.301 592 2HB HIS 80 1HB HIS 80 -8.215 -5.312 9.668 593 HD1 HIS 80 1HD HIS 80 -10.141 -5.514 11.415 594 HD2 HIS 80 2HD HIS 80 -6.450 -4.464 13.005 595 HE1 HIS 80 1HE HIS 80 -10.600 -4.781 13.778 596 HE2 HIS 80 2HE HIS 80 -8.310 -4.435 14.783 597 H GLY 81 H GLY 81 -7.325 -9.162 8.997 598 1HA GLY 81 2HA GLY 81 -7.328 -8.938 6.497 599 2HA GLY 81 1HA GLY 81 -5.871 -7.977 6.709 600 H ALA 82 H ALA 82 -4.090 -9.121 7.933 601 HA ALA 82 HA ALA 82 -3.883 -11.853 6.864 602 1HB ALA 82 1HB ALA 82 -1.530 -10.388 7.953 603 2HB ALA 82 2HB ALA 82 -2.163 -9.921 6.372 604 3HB ALA 82 3HB ALA 82 -1.615 -11.576 6.649 605 H ASP 83 H ASP 83 -3.645 -13.552 8.263 606 HA ASP 83 HA ASP 83 -3.800 -12.964 11.081 607 1HB ASP 83 2HB ASP 83 -4.202 -15.208 11.497 608 2HB ASP 83 1HB ASP 83 -4.948 -14.935 9.942 609 H GLU 84 H GLU 84 -2.186 -14.509 12.472 610 HA GLU 84 HA GLU 84 0.027 -12.913 12.164 611 1HB GLU 84 2HB GLU 84 0.594 -13.512 14.286 612 2HB GLU 84 1HB GLU 84 -1.097 -13.931 14.238 613 1HG GLU 84 2HG GLU 84 0.127 -15.546 15.450 614 2HG GLU 84 1HG GLU 84 -0.553 -16.289 14.029 615 H THR 85 H THR 85 -0.753 -15.968 10.958 616 HA THR 85 HA THR 85 1.939 -16.911 10.760 617 HB THR 85 HB THR 85 -0.260 -18.292 10.763 618 HG1 THR 85 1HG THR 85 2.079 -18.933 10.351 619 1HG2 THR 85 1HG2 THR 85 -1.338 -17.332 8.840 620 2HG2 THR 85 2HG2 THR 85 -0.924 -19.010 8.477 621 3HG2 THR 85 3HG2 THR 85 0.054 -17.696 7.818 622 H MET 86 H MET 86 -0.183 -14.886 8.829 623 HA MET 86 HA MET 86 1.375 -15.249 6.413 624 1HB MET 86 2HB MET 86 -0.828 -13.241 6.947 625 2HB MET 86 1HB MET 86 -0.180 -13.705 5.381 626 1HG MET 86 2HG MET 86 -1.076 -15.930 5.628 627 2HG MET 86 1HG MET 86 -1.637 -15.543 7.255 628 1HE MET 86 1HE MET 86 -3.329 -13.637 3.404 629 2HE MET 86 2HE MET 86 -2.075 -14.879 3.421 630 3HE MET 86 3HE MET 86 -1.728 -13.265 4.042 631 H ALA 87 H ALA 87 0.815 -12.813 8.872 632 HA ALA 87 HA ALA 87 2.491 -10.816 7.829 633 1HB ALA 87 1HB ALA 87 1.453 -11.492 10.544 634 2HB ALA 87 2HB ALA 87 1.085 -10.099 9.524 635 3HB ALA 87 3HB ALA 87 2.644 -10.205 10.345 636 H GLN 88 H GLN 88 3.035 -13.715 9.679 637 HA GLN 88 HA GLN 88 5.764 -13.101 10.330 638 1HB GLN 88 2HB GLN 88 3.874 -15.291 10.862 639 2HB GLN 88 1HB GLN 88 5.562 -15.766 10.779 640 1HG GLN 88 2HG GLN 88 4.660 -15.185 13.066 641 2HG GLN 88 1HG GLN 88 6.156 -14.393 12.587 642 1HE2 GLN 88 1HE2 GLN 88 2.765 -13.964 13.325 643 2HE2 GLN 88 2HE2 GLN 88 2.816 -12.223 13.365 644 H GLN 89 H GLN 89 4.121 -14.649 7.666 645 HA GLN 89 HA GLN 89 6.539 -15.774 6.579 646 1HB GLN 89 2HB GLN 89 4.054 -15.084 4.981 647 2HB GLN 89 1HB GLN 89 5.314 -16.228 4.567 648 1HG GLN 89 2HG GLN 89 3.429 -16.532 6.882 649 2HG GLN 89 1HG GLN 89 3.197 -17.257 5.297 650 1HE2 GLN 89 1HE2 GLN 89 3.161 -19.290 6.237 651 2HE2 GLN 89 2HE2 GLN 89 4.616 -20.082 6.747 652 H LEU 90 H LEU 90 5.033 -12.652 6.607 653 HA LEU 90 HA LEU 90 6.518 -11.702 4.310 654 1HB LEU 90 2HB LEU 90 4.445 -10.564 6.095 655 2HB LEU 90 1HB LEU 90 5.526 -9.439 5.306 656 HG LEU 90 HG LEU 90 4.850 -10.362 3.109 657 1HD1 LEU 90 1HD1 LEU 90 2.843 -11.932 4.718 658 2HD1 LEU 90 2HD1 LEU 90 4.201 -12.602 3.811 659 3HD1 LEU 90 3HD1 LEU 90 2.881 -11.796 2.961 660 1HD2 LEU 90 1HD2 LEU 90 2.607 -9.370 4.860 661 2HD2 LEU 90 2HD2 LEU 90 2.600 -9.373 3.096 662 3HD2 LEU 90 3HD2 LEU 90 3.764 -8.378 3.973 663 H VAL 91 H VAL 91 6.573 -11.280 7.820 664 HA VAL 91 HA VAL 91 8.380 -9.164 7.982 665 HB VAL 91 HB VAL 91 8.897 -9.973 10.262 666 1HG1 VAL 91 1HG1 VAL 91 6.557 -9.876 11.138 667 2HG1 VAL 91 2HG1 VAL 91 6.003 -9.921 9.462 668 3HG1 VAL 91 3HG1 VAL 91 6.986 -8.571 10.030 669 1HG2 VAL 91 1HG2 VAL 91 7.503 -12.389 9.288 670 2HG2 VAL 91 2HG2 VAL 91 7.367 -11.953 10.988 671 3HG2 VAL 91 3HG2 VAL 91 8.954 -12.252 10.275 672 H ASP 92 H ASP 92 8.952 -12.549 7.500 673 HA ASP 92 HA ASP 92 11.696 -12.592 8.160 674 1HB ASP 92 2HB ASP 92 10.613 -14.662 8.222 675 2HB ASP 92 1HB ASP 92 9.841 -14.421 6.662 676 H ILE 93 H ILE 93 9.962 -12.298 5.071 677 HA ILE 93 HA ILE 93 12.297 -11.985 3.490 678 HB ILE 93 HB ILE 93 9.391 -11.382 3.038 679 1HG1 ILE 93 2HG1 ILE 93 9.587 -12.944 1.211 680 2HG1 ILE 93 1HG1 ILE 93 11.335 -13.002 1.375 681 1HG2 ILE 93 1HG2 ILE 93 10.654 -9.478 2.104 682 2HG2 ILE 93 2HG2 ILE 93 9.813 -10.427 0.876 683 3HG2 ILE 93 3HG2 ILE 93 11.554 -10.611 1.095 684 1HD1 ILE 93 1HD1 ILE 93 9.337 -14.000 3.395 685 2HD1 ILE 93 2HD1 ILE 93 11.094 -14.104 3.532 686 3HD1 ILE 93 3HD1 ILE 93 10.253 -14.999 2.263 687 H ILE 94 H ILE 94 10.080 -9.734 5.084 688 HA ILE 94 HA ILE 94 11.025 -7.329 4.105 689 HB ILE 94 HB ILE 94 10.015 -7.919 6.874 690 1HG1 ILE 94 2HG1 ILE 94 8.697 -6.813 4.387 691 2HG1 ILE 94 1HG1 ILE 94 8.401 -8.387 5.121 692 1HG2 ILE 94 1HG2 ILE 94 9.613 -5.504 7.067 693 2HG2 ILE 94 2HG2 ILE 94 10.423 -5.252 5.521 694 3HG2 ILE 94 3HG2 ILE 94 11.331 -5.869 6.901 695 1HD1 ILE 94 1HD1 ILE 94 7.714 -7.065 7.183 696 2HD1 ILE 94 2HD1 ILE 94 6.606 -7.103 5.814 697 3HD1 ILE 94 3HD1 ILE 94 7.612 -5.680 6.101 698 H HIS 95 H HIS 95 12.208 -9.189 6.877 699 HA HIS 95 HA HIS 95 14.107 -7.187 7.625 700 1HB HIS 95 2HB HIS 95 13.937 -10.094 8.460 701 2HB HIS 95 1HB HIS 95 14.976 -8.884 9.201 702 HD1 HIS 95 1HD HIS 95 13.012 -10.338 10.946 703 HD2 HIS 95 2HD HIS 95 12.071 -6.800 8.967 704 HE1 HIS 95 1HE HIS 95 11.112 -9.320 12.242 705 HE2 HIS 95 2HE HIS 95 10.709 -7.083 11.157 706 H GLY 96 H GLY 96 14.235 -10.093 5.626 707 1HA GLY 96 2HA GLY 96 17.140 -10.093 5.685 708 2HA GLY 96 1HA GLY 96 16.108 -11.229 4.821 709 H CYS 97 H CYS 97 14.597 -9.460 3.288 710 HA CYS 97 HA CYS 97 16.481 -8.978 1.235 711 1HB CYS 97 2HB CYS 97 13.576 -8.160 1.300 712 2HB CYS 97 1HB CYS 97 14.602 -8.302 -0.122 713 H GLU 98 H GLU 98 14.589 -6.807 3.385 714 HA GLU 98 HA GLU 98 15.575 -4.407 2.298 715 1HB GLU 98 2HB GLU 98 13.672 -4.559 3.895 716 2HB GLU 98 1HB GLU 98 14.813 -4.926 5.180 717 1HG GLU 98 2HG GLU 98 15.890 -2.733 4.791 718 2HG GLU 98 1HG GLU 98 14.643 -2.372 3.599 719 H LYS 99 H LYS 99 16.894 -6.537 4.823 720 HA LYS 99 HA LYS 99 19.054 -4.846 5.504 721 1HB LYS 99 2HB LYS 99 18.414 -6.599 7.006 722 2HB LYS 99 1HB LYS 99 18.674 -7.826 5.776 723 1HG LYS 99 2HG LYS 99 20.998 -7.617 5.898 724 2HG LYS 99 1HG LYS 99 20.898 -6.090 6.764 725 1HD LYS 99 2HD LYS 99 21.556 -7.885 8.266 726 2HD LYS 99 1HD LYS 99 19.970 -7.249 8.709 727 1HE LYS 99 2HE LYS 99 18.898 -9.130 7.584 728 2HE LYS 99 1HE LYS 99 20.477 -9.758 7.110 729 1HZ LYS 99 1HZ LYS 99 21.040 -10.025 9.440 730 2HZ LYS 99 2HZ LYS 99 19.617 -10.879 9.078 731 3HZ LYS 99 3HZ LYS 99 19.532 -9.399 9.903 732 H SER 100 H SER 100 18.612 -7.241 2.985 733 HA SER 100 HA SER 100 21.428 -7.054 2.227 734 1HB SER 100 2HB SER 100 19.276 -8.765 0.966 735 2HB SER 100 1HB SER 100 21.024 -8.961 0.830 736 HG SER 100 HG SER 100 19.323 -9.507 3.003 737 H ALA 101 H ALA 101 18.877 -5.175 1.693 738 HA ALA 101 HA ALA 101 18.864 -4.997 -1.171 739 1HB ALA 101 1HB ALA 101 17.712 -3.122 0.897 740 2HB ALA 101 2HB ALA 101 16.858 -4.458 0.118 741 3HB ALA 101 3HB ALA 101 17.390 -3.071 -0.837 742 HA PRO 102 HA PRO 102 22.239 -2.200 -1.767 743 1HB PRO 102 2HB PRO 102 20.626 -0.893 -3.867 744 2HB PRO 102 1HB PRO 102 22.163 -1.750 -4.008 745 1HG PRO 102 2HG PRO 102 19.897 -2.817 -4.945 746 2HG PRO 102 1HG PRO 102 21.146 -3.824 -4.185 747 1HD PRO 102 2HD PRO 102 18.580 -2.793 -3.021 748 2HD PRO 102 1HD PRO 102 19.302 -4.412 -2.887 749 HA PRO 103 HA PRO 103 21.063 1.334 0.572 750 1HB PRO 103 2HB PRO 103 23.549 2.630 -0.224 751 2HB PRO 103 1HB PRO 103 23.088 1.973 1.348 752 1HG PRO 103 2HG PRO 103 24.987 0.837 -0.205 753 2HG PRO 103 1HG PRO 103 23.948 -0.106 0.878 754 1HD PRO 103 2HD PRO 103 23.725 0.301 -2.083 755 2HD PRO 103 1HD PRO 103 23.513 -1.186 -1.131 756 H ASN 104 H ASN 104 20.191 1.339 -2.251 757 HA ASN 104 HA ASN 104 20.527 4.042 -3.185 758 1HB ASN 104 2HB ASN 104 18.624 1.826 -3.975 759 2HB ASN 104 1HB ASN 104 18.638 3.412 -4.742 760 1HD2 ASN 104 1HD2 ASN 104 19.230 0.665 -5.725 761 2HD2 ASN 104 2HD2 ASN 104 20.796 0.795 -6.469 762 H ASP 105 H ASP 105 19.590 5.714 -2.226 763 HA ASP 105 HA ASP 105 17.814 5.152 -0.051 764 1HB ASP 105 2HB ASP 105 19.648 6.786 0.167 765 2HB ASP 105 1HB ASP 105 18.825 7.837 -0.987 766 H ASP 106 H ASP 106 15.883 4.508 -0.924 767 HA ASP 106 HA ASP 106 14.193 6.862 -1.219 768 1HB ASP 106 2HB ASP 106 14.434 5.838 -3.509 769 2HB ASP 106 1HB ASP 106 13.729 4.360 -2.867 770 H LYS 107 H LYS 107 13.515 6.735 0.809 771 HA LYS 107 HA LYS 107 13.083 4.699 2.474 772 1HB LYS 107 2HB LYS 107 11.282 5.980 3.585 773 2HB LYS 107 1HB LYS 107 12.717 6.920 3.218 774 1HG LYS 107 2HG LYS 107 11.525 7.807 1.207 775 2HG LYS 107 1HG LYS 107 10.067 6.991 1.792 776 1HD LYS 107 2HD LYS 107 9.961 8.324 3.719 777 2HD LYS 107 1HD LYS 107 11.623 8.884 3.528 778 1HE LYS 107 2HE LYS 107 10.950 10.097 1.492 779 2HE LYS 107 1HE LYS 107 9.284 9.578 1.754 780 1HZ LYS 107 1HZ LYS 107 9.197 10.802 3.780 781 2HZ LYS 107 2HZ LYS 107 9.777 11.843 2.575 782 3HZ LYS 107 3HZ LYS 107 10.850 11.177 3.706 783 H CYS 108 H CYS 108 10.528 5.491 0.019 784 HA CYS 108 HA CYS 108 8.965 3.323 1.107 785 1HB CYS 108 2HB CYS 108 8.096 5.582 0.167 786 2HB CYS 108 1HB CYS 108 8.257 4.800 -1.401 787 H MET 109 H MET 109 11.245 3.736 -1.508 788 HA MET 109 HA MET 109 10.124 1.678 -3.141 789 1HB MET 109 2HB MET 109 12.667 3.239 -3.238 790 2HB MET 109 1HB MET 109 12.480 1.809 -4.245 791 1HG MET 109 2HG MET 109 10.713 4.241 -4.249 792 2HG MET 109 1HG MET 109 11.900 3.800 -5.475 793 1HE MET 109 1HE MET 109 11.477 0.649 -5.685 794 2HE MET 109 2HE MET 109 11.650 1.701 -7.089 795 3HE MET 109 3HE MET 109 10.309 0.560 -7.004 796 H LYS 110 H LYS 110 12.405 1.771 -0.545 797 HA LYS 110 HA LYS 110 13.717 -0.676 -1.008 798 1HB LYS 110 2HB LYS 110 14.058 -0.731 1.473 799 2HB LYS 110 1HB LYS 110 14.635 0.726 0.683 800 1HG LYS 110 2HG LYS 110 13.621 1.678 2.460 801 2HG LYS 110 1HG LYS 110 12.186 1.525 1.442 802 1HD LYS 110 2HD LYS 110 11.561 -0.521 2.528 803 2HD LYS 110 1HD LYS 110 13.076 -0.561 3.428 804 1HE LYS 110 2HE LYS 110 12.417 1.480 4.610 805 2HE LYS 110 1HE LYS 110 10.898 1.507 3.712 806 1HZ LYS 110 1HZ LYS 110 11.729 -0.785 5.406 807 2HZ LYS 110 2HZ LYS 110 10.191 -0.466 4.760 808 3HZ LYS 110 3HZ LYS 110 10.805 0.511 6.001 809 H THR 111 H THR 111 10.806 0.077 0.751 810 HA THR 111 HA THR 111 9.976 -2.424 1.525 811 HB THR 111 HB THR 111 9.036 0.210 1.471 812 HG1 THR 111 1HG THR 111 7.360 -1.338 2.835 813 1HG2 THR 111 1HG2 THR 111 7.500 -0.173 -0.343 814 2HG2 THR 111 2HG2 THR 111 6.554 -0.215 1.150 815 3HG2 THR 111 3HG2 THR 111 6.995 -1.720 0.348 816 H ILE 112 H ILE 112 10.306 -1.272 -1.688 817 HA ILE 112 HA ILE 112 8.239 -3.064 -2.706 818 HB ILE 112 HB ILE 112 9.802 -0.845 -3.846 819 1HG1 ILE 112 2HG1 ILE 112 7.668 -0.422 -5.028 820 2HG1 ILE 112 1HG1 ILE 112 7.015 -1.895 -4.327 821 1HG2 ILE 112 1HG2 ILE 112 10.459 -2.849 -5.237 822 2HG2 ILE 112 2HG2 ILE 112 9.678 -1.539 -6.121 823 3HG2 ILE 112 3HG2 ILE 112 8.760 -2.981 -5.695 824 1HD1 ILE 112 1HD1 ILE 112 7.978 0.462 -2.737 825 2HD1 ILE 112 2HD1 ILE 112 7.155 -0.969 -2.123 826 3HD1 ILE 112 3HD1 ILE 112 6.298 0.160 -3.173 827 H ASP 113 H ASP 113 11.718 -2.602 -2.577 828 HA ASP 113 HA ASP 113 12.528 -4.812 -4.081 829 1HB ASP 113 2HB ASP 113 14.022 -2.969 -3.290 830 2HB ASP 113 1HB ASP 113 13.950 -3.646 -1.669 831 H VAL 114 H VAL 114 11.449 -4.564 -0.712 832 HA VAL 114 HA VAL 114 12.118 -7.314 -0.180 833 HB VAL 114 HB VAL 114 10.767 -7.018 1.910 834 1HG1 VAL 114 1HG1 VAL 114 12.897 -4.936 1.563 835 2HG1 VAL 114 2HG1 VAL 114 13.231 -6.660 1.730 836 3HG1 VAL 114 3HG1 VAL 114 12.441 -5.784 3.041 837 1HG2 VAL 114 1HG2 VAL 114 10.729 -4.175 1.070 838 2HG2 VAL 114 2HG2 VAL 114 10.127 -4.816 2.591 839 3HG2 VAL 114 3HG2 VAL 114 9.320 -5.223 1.073 840 H ALA 115 H ALA 115 9.213 -5.460 -0.976 841 HA ALA 115 HA ALA 115 7.335 -7.501 -0.609 842 1HB ALA 115 1HB ALA 115 6.962 -5.036 -1.007 843 2HB ALA 115 2HB ALA 115 5.834 -6.143 -1.794 844 3HB ALA 115 3HB ALA 115 7.129 -5.386 -2.726 845 H MET 116 H MET 116 9.055 -6.519 -3.579 846 HA MET 116 HA MET 116 7.933 -8.661 -5.062 847 1HB MET 116 2HB MET 116 9.510 -8.086 -6.849 848 2HB MET 116 1HB MET 116 8.622 -6.703 -6.263 849 1HG MET 116 2HG MET 116 10.827 -6.030 -6.733 850 2HG MET 116 1HG MET 116 10.645 -6.018 -4.990 851 1HE MET 116 1HE MET 116 13.405 -5.786 -5.132 852 2HE MET 116 2HE MET 116 13.360 -6.028 -6.878 853 3HE MET 116 3HE MET 116 14.420 -7.021 -5.877 854 H CYS 117 H CYS 117 10.614 -8.393 -2.950 855 HA CYS 117 HA CYS 117 12.034 -10.724 -3.765 856 1HB CYS 117 2HB CYS 117 13.011 -8.857 -2.453 857 2HB CYS 117 1HB CYS 117 11.991 -9.297 -1.091 858 H PHE 118 H PHE 118 9.209 -10.122 -1.915 859 HA PHE 118 HA PHE 118 9.264 -12.647 -0.539 860 1HB PHE 118 2HB PHE 118 8.149 -10.880 0.624 861 2HB PHE 118 1HB PHE 118 7.128 -10.512 -0.758 862 HD1 PHE 118 1HD PHE 118 7.861 -13.149 1.747 863 HD2 PHE 118 2HD PHE 118 5.039 -11.522 -0.992 864 HE1 PHE 118 1HE PHE 118 6.145 -14.678 2.615 865 HE2 PHE 118 2HE PHE 118 3.316 -13.051 -0.127 866 HZ PHE 118 HZ PHE 118 3.870 -14.630 1.676 867 H LYS 119 H LYS 119 7.443 -11.242 -3.285 868 HA LYS 119 HA LYS 119 6.073 -13.693 -3.799 869 1HB LYS 119 2HB LYS 119 5.115 -12.667 -5.642 870 2HB LYS 119 1HB LYS 119 5.457 -11.298 -4.603 871 1HG LYS 119 2HG LYS 119 7.738 -11.417 -6.055 872 2HG LYS 119 1HG LYS 119 6.552 -12.015 -7.224 873 1HD LYS 119 2HD LYS 119 5.230 -10.038 -6.997 874 2HD LYS 119 1HD LYS 119 6.232 -9.459 -5.661 875 1HE LYS 119 2HE LYS 119 6.976 -8.266 -7.539 876 2HE LYS 119 1HE LYS 119 8.174 -9.539 -7.279 877 1HZ LYS 119 1HZ LYS 119 6.876 -10.849 -8.991 878 2HZ LYS 119 2HZ LYS 119 7.752 -9.515 -9.565 879 3HZ LYS 119 3HZ LYS 119 6.073 -9.400 -9.362 880 H LYS 120 H LYS 120 9.181 -12.341 -4.832 881 HA LYS 120 HA LYS 120 9.916 -14.299 -6.684 882 1HB LYS 120 2HB LYS 120 11.211 -12.245 -5.209 883 2HB LYS 120 1HB LYS 120 12.165 -13.713 -5.029 884 1HG LYS 120 2HG LYS 120 12.890 -12.365 -6.942 885 2HG LYS 120 1HG LYS 120 12.294 -13.954 -7.440 886 1HD LYS 120 2HD LYS 120 11.305 -12.466 -8.955 887 2HD LYS 120 1HD LYS 120 10.044 -12.798 -7.768 888 1HE LYS 120 2HE LYS 120 9.970 -10.485 -8.102 889 2HE LYS 120 1HE LYS 120 10.806 -10.704 -6.561 890 1HZ LYS 120 1HZ LYS 120 12.188 -10.301 -9.170 891 2HZ LYS 120 2HZ LYS 120 12.898 -10.323 -7.625 892 3HZ LYS 120 3HZ LYS 120 11.859 -9.058 -8.067 893 H GLU 121 H GLU 121 10.443 -14.259 -3.170 894 HA GLU 121 HA GLU 121 11.480 -16.804 -2.852 895 1HB GLU 121 2HB GLU 121 11.540 -15.173 -1.093 896 2HB GLU 121 1HB GLU 121 9.787 -15.090 -1.035 897 1HG GLU 121 2HG GLU 121 10.641 -16.302 0.854 898 2HG GLU 121 1HG GLU 121 9.709 -17.359 -0.189 899 H ILE 122 H ILE 122 8.008 -15.878 -2.430 900 HA ILE 122 HA ILE 122 7.039 -18.444 -2.068 901 HB ILE 122 HB ILE 122 5.952 -15.966 -2.017 902 1HG1 ILE 122 2HG1 ILE 122 5.249 -18.122 -0.896 903 2HG1 ILE 122 1HG1 ILE 122 3.970 -16.990 -1.304 904 1HG2 ILE 122 1HG2 ILE 122 4.337 -17.176 -4.211 905 2HG2 ILE 122 2HG2 ILE 122 5.757 -16.205 -4.608 906 3HG2 ILE 122 3HG2 ILE 122 4.441 -15.498 -3.673 907 1HD1 ILE 122 1HD1 ILE 122 3.460 -18.336 -3.302 908 2HD1 ILE 122 2HD1 ILE 122 3.270 -19.242 -1.798 909 3HD1 ILE 122 3HD1 ILE 122 4.696 -19.492 -2.806 910 H HIS 123 H HIS 123 7.799 -16.748 -5.078 911 HA HIS 123 HA HIS 123 6.625 -18.705 -6.771 912 1HB HIS 123 2HB HIS 123 8.424 -16.391 -7.169 913 2HB HIS 123 1HB HIS 123 8.452 -17.639 -8.412 914 HD1 HIS 123 1HD HIS 123 7.105 -16.720 -10.281 915 HD2 HIS 123 2HD HIS 123 5.264 -16.170 -6.588 916 HE1 HIS 123 1HE HIS 123 4.879 -15.654 -10.782 917 HE2 HIS 123 2HE HIS 123 3.849 -15.187 -8.528 918 H LYS 124 H LYS 124 9.808 -18.479 -5.256 919 HA LYS 124 HA LYS 124 10.958 -20.541 -6.838 920 1HB LYS 124 2HB LYS 124 12.102 -18.749 -5.302 921 2HB LYS 124 1HB LYS 124 11.860 -19.951 -4.042 922 1HG LYS 124 2HG LYS 124 13.968 -20.488 -4.740 923 2HG LYS 124 1HG LYS 124 13.011 -21.552 -5.770 924 1HD LYS 124 2HD LYS 124 14.041 -18.832 -6.577 925 2HD LYS 124 1HD LYS 124 14.815 -20.360 -6.990 926 1HE LYS 124 2HE LYS 124 12.006 -19.588 -7.771 927 2HE LYS 124 1HE LYS 124 13.417 -19.402 -8.809 928 1HZ LYS 124 1HZ LYS 124 13.710 -21.733 -8.909 929 2HZ LYS 124 2HZ LYS 124 12.059 -21.450 -9.188 930 3HZ LYS 124 3HZ LYS 124 12.576 -22.018 -7.680 931 H LEU 125 H LEU 125 9.186 -20.416 -3.791 932 HA LEU 125 HA LEU 125 9.325 -23.172 -3.196 933 1HB LEU 125 2HB LEU 125 7.072 -21.239 -2.630 934 2HB LEU 125 1HB LEU 125 7.322 -22.782 -1.837 935 HG LEU 125 HG LEU 125 9.247 -20.459 -1.672 936 1HD1 LEU 125 1HD1 LEU 125 7.142 -21.400 0.269 937 2HD1 LEU 125 2HD1 LEU 125 7.173 -19.861 -0.590 938 3HD1 LEU 125 3HD1 LEU 125 8.396 -20.214 0.630 939 1HD2 LEU 125 1HD2 LEU 125 9.083 -23.043 -0.126 940 2HD2 LEU 125 2HD2 LEU 125 10.240 -21.740 0.151 941 3HD2 LEU 125 3HD2 LEU 125 10.282 -22.651 -1.359 942 H ASN 126 H ASN 126 7.030 -21.296 -5.134 943 HA ASN 126 HA ASN 126 5.559 -21.804 -6.752 944 1HB ASN 126 2HB ASN 126 7.718 -22.382 -7.836 945 2HB ASN 126 1HB ASN 126 7.466 -24.061 -7.366 946 1HD2 ASN 126 1HD2 ASN 126 7.398 -24.773 -9.492 947 2HD2 ASN 126 2HD2 ASN 126 6.055 -24.454 -10.533 948 H TRP 127 H TRP 127 6.507 -25.178 -6.266 949 HA TRP 127 HA TRP 127 3.741 -25.938 -6.433 950 1HB TRP 127 2HB TRP 127 4.934 -28.286 -5.995 951 2HB TRP 127 1HB TRP 127 4.946 -27.503 -7.571 952 HD1 TRP 127 HD TRP 127 7.246 -27.555 -4.428 953 HE1 TRP 127 1HE TRP 127 9.684 -27.520 -5.244 954 HE3 TRP 127 3HE TRP 127 6.416 -27.302 -9.465 955 HZ2 TRP 127 2HZ TRP 127 11.075 -27.415 -7.696 956 HZ3 TRP 127 3HZ TRP 127 8.357 -27.242 -10.977 957 HH2 TRP 127 HH TRP 127 10.637 -27.298 -10.109 958 H VAL 128 H VAL 128 2.629 -25.410 -4.672 959 HA VAL 128 HA VAL 128 3.275 -26.935 -2.261 960 HB VAL 128 HB VAL 128 3.962 -24.702 -1.701 961 1HG1 VAL 128 1HG1 VAL 128 1.235 -23.763 -2.580 962 2HG1 VAL 128 2HG1 VAL 128 2.759 -23.460 -3.412 963 3HG1 VAL 128 3HG1 VAL 128 2.475 -22.765 -1.817 964 1HG2 VAL 128 1HG2 VAL 128 2.475 -24.198 0.185 965 2HG2 VAL 128 2HG2 VAL 128 2.815 -25.923 0.057 966 3HG2 VAL 128 3HG2 VAL 128 1.263 -25.287 -0.488 967 HA PRO 129 HA PRO 129 -0.958 -28.063 -3.379 968 1HB PRO 129 2HB PRO 129 -0.498 -30.384 -1.689 969 2HB PRO 129 1HB PRO 129 -0.755 -30.316 -3.434 970 1HG PRO 129 2HG PRO 129 1.625 -30.994 -2.311 971 2HG PRO 129 1HG PRO 129 1.489 -30.197 -3.890 972 1HD PRO 129 2HD PRO 129 2.144 -29.010 -1.216 973 2HD PRO 129 1HD PRO 129 2.872 -28.679 -2.803 974 H ASN 130 H ASN 130 -2.805 -27.672 -2.324 975 HA ASN 130 HA ASN 130 -2.647 -26.971 0.501 976 1HB ASN 130 2HB ASN 130 -4.701 -25.824 0.217 977 2HB ASN 130 1HB ASN 130 -3.793 -25.511 -1.258 978 1HD2 ASN 130 1HD2 ASN 130 -4.395 -26.638 -3.179 979 2HD2 ASN 130 2HD2 ASN 130 -6.002 -27.259 -3.354 980 H MET 131 H MET 131 -4.097 -27.818 2.071 981 HA MET 131 HA MET 131 -4.592 -30.646 1.667 982 1HB MET 131 2HB MET 131 -4.971 -30.761 4.045 983 2HB MET 131 1HB MET 131 -3.529 -29.804 3.747 984 1HG MET 131 2HG MET 131 -6.255 -28.690 4.373 985 2HG MET 131 1HG MET 131 -4.940 -28.877 5.529 986 1HE MET 131 1HE MET 131 -4.989 -26.359 6.263 987 2HE MET 131 2HE MET 131 -6.388 -26.120 5.217 988 3HE MET 131 3HE MET 131 -5.023 -25.006 5.131 989 H ASP 132 H ASP 132 -6.329 -27.901 1.151 990 HA ASP 132 HA ASP 132 -8.487 -27.382 0.787 991 1HB ASP 132 2HB ASP 132 -8.564 -30.334 0.612 992 2HB ASP 132 1HB ASP 132 -10.108 -29.538 0.904 993 H LEU 133 H LEU 133 -9.610 -26.290 2.173 994 HA LEU 133 HA LEU 133 -9.730 -27.172 4.941 995 1HB LEU 133 2HB LEU 133 -10.582 -24.588 3.628 996 2HB LEU 133 1HB LEU 133 -10.777 -24.922 5.336 997 HG LEU 133 HG LEU 133 -8.231 -25.234 5.396 998 1HD1 LEU 133 1HD1 LEU 133 -7.863 -25.407 2.991 999 2HD1 LEU 133 2HD1 LEU 133 -6.981 -24.038 3.669 1000 3HD1 LEU 133 3HD1 LEU 133 -8.475 -23.767 2.771 1001 1HD2 LEU 133 1HD2 LEU 133 -9.368 -23.331 6.384 1002 2HD2 LEU 133 2HD2 LEU 133 -9.419 -22.524 4.817 1003 3HD2 LEU 133 3HD2 LEU 133 -7.870 -22.817 5.609 1004 H VAL 134 H VAL 134 -11.132 -28.978 4.049 1005 HA VAL 134 HA VAL 134 -13.835 -28.318 3.370 1006 HB VAL 134 HB VAL 134 -14.227 -30.808 3.619 1007 1HG1 VAL 134 1HG1 VAL 134 -12.984 -31.360 1.578 1008 2HG1 VAL 134 2HG1 VAL 134 -12.013 -29.901 1.780 1009 3HG1 VAL 134 3HG1 VAL 134 -13.745 -29.774 1.469 1010 1HG2 VAL 134 1HG2 VAL 134 -12.246 -32.246 3.747 1011 2HG2 VAL 134 2HG2 VAL 134 -12.445 -31.294 5.219 1012 3HG2 VAL 134 3HG2 VAL 134 -11.234 -30.826 4.023 1013 H ILE 135 H ILE 135 -15.120 -27.442 4.824 1014 HA ILE 135 HA ILE 135 -15.149 -28.616 7.515 1015 HB ILE 135 HB ILE 135 -14.336 -26.439 7.824 1016 1HG1 ILE 135 2HG1 ILE 135 -16.540 -27.119 9.108 1017 2HG1 ILE 135 1HG1 ILE 135 -15.836 -25.519 9.305 1018 1HG2 ILE 135 1HG2 ILE 135 -14.715 -25.570 5.605 1019 2HG2 ILE 135 2HG2 ILE 135 -15.283 -24.423 6.819 1020 3HG2 ILE 135 3HG2 ILE 135 -16.440 -25.415 5.932 1021 1HD1 ILE 135 1HD1 ILE 135 -17.986 -26.066 7.293 1022 2HD1 ILE 135 2HD1 ILE 135 -17.477 -24.515 7.972 1023 3HD1 ILE 135 3HD1 ILE 135 -18.352 -25.672 8.976 1024 H GLY 136 H GLY 136 -16.905 -29.715 7.933 1025 1HA GLY 136 2HA GLY 136 -19.307 -29.265 6.315 1026 2HA GLY 136 1HA GLY 136 -18.984 -30.669 7.325 1027 H GLU 137 H GLU 137 -20.291 -27.485 7.182 1028 HA GLU 137 HA GLU 137 -20.642 -27.153 10.010 1029 1HB GLU 137 2HB GLU 137 -20.507 -25.237 8.460 1030 2HB GLU 137 1HB GLU 137 -21.994 -25.764 7.687 1031 1HG GLU 137 2HG GLU 137 -23.113 -25.488 9.932 1032 2HG GLU 137 1HG GLU 137 -21.634 -24.683 10.461 1033 H VAL 138 H VAL 138 -21.756 -28.878 10.858 1034 HA VAL 138 HA VAL 138 -24.157 -29.824 9.575 1035 HB VAL 138 HB VAL 138 -24.311 -31.337 11.615 1036 1HG1 VAL 138 1HG1 VAL 138 -23.414 -32.081 9.480 1037 2HG1 VAL 138 2HG1 VAL 138 -22.509 -32.793 10.815 1038 3HG1 VAL 138 3HG1 VAL 138 -21.826 -31.444 9.907 1039 1HG2 VAL 138 1HG2 VAL 138 -22.259 -31.601 12.935 1040 2HG2 VAL 138 2HG2 VAL 138 -22.977 -30.006 13.161 1041 3HG2 VAL 138 3HG2 VAL 138 -21.561 -30.198 12.124 1042 H LEU 139 H LEU 139 -25.691 -28.280 9.631 1043 HA LEU 139 HA LEU 139 -26.500 -27.178 12.218 1044 1HB LEU 139 2HB LEU 139 -26.282 -25.826 10.019 1045 2HB LEU 139 1HB LEU 139 -27.780 -26.603 9.548 1046 HG LEU 139 HG LEU 139 -28.058 -24.303 10.456 1047 1HD1 LEU 139 1HD1 LEU 139 -29.383 -26.463 12.084 1048 2HD1 LEU 139 2HD1 LEU 139 -29.926 -25.858 10.518 1049 3HD1 LEU 139 3HD1 LEU 139 -29.936 -24.796 11.925 1050 1HD2 LEU 139 1HD2 LEU 139 -26.286 -24.349 12.114 1051 2HD2 LEU 139 2HD2 LEU 139 -27.169 -25.559 13.044 1052 3HD2 LEU 139 3HD2 LEU 139 -27.830 -23.936 12.858 1053 H ALA 140 H ALA 140 -27.664 -28.641 13.336 1054 HA ALA 140 HA ALA 140 -29.561 -30.340 11.883 1055 1HB ALA 140 1HB ALA 140 -27.915 -31.488 13.284 1056 2HB ALA 140 2HB ALA 140 -29.560 -31.757 13.863 1057 3HB ALA 140 3HB ALA 140 -28.507 -30.613 14.697 1058 H GLU 141 H GLU 141 -31.483 -29.433 11.718 1059 HA GLU 141 HA GLU 141 -32.517 -27.584 13.653 1060 1HB GLU 141 2HB GLU 141 -32.968 -27.427 11.212 1061 2HB GLU 141 1HB GLU 141 -33.895 -28.915 11.312 1062 1HG GLU 141 2HG GLU 141 -35.490 -27.842 12.796 1063 2HG GLU 141 1HG GLU 141 -34.548 -26.352 12.746 1064 H VAL 142 H VAL 142 -34.226 -27.857 15.023 1065 HA VAL 142 HA VAL 142 -35.352 -28.887 16.671 1066 HB VAL 142 HB VAL 142 -37.022 -28.850 14.920 1067 1HG1 VAL 142 1HG1 VAL 142 -35.978 -30.180 13.194 1068 2HG1 VAL 142 2HG1 VAL 142 -37.570 -30.831 13.585 1069 3HG1 VAL 142 3HG1 VAL 142 -36.119 -31.628 14.190 1070 1HG2 VAL 142 1HG2 VAL 142 -37.145 -31.346 16.596 1071 2HG2 VAL 142 2HG2 VAL 142 -38.519 -30.582 15.798 1072 3HG2 VAL 142 3HG2 VAL 142 -37.654 -29.727 17.074 Start of MODEL 2 1 1H SER 1 1HT SER 1 -4.620 -15.856 -0.566 2 2H SER 1 2HT SER 1 -5.404 -15.899 -2.060 3 3H SER 1 3HT SER 1 -5.089 -17.342 -1.223 4 HA SER 1 HA SER 1 -7.394 -16.761 -1.007 5 1HB SER 1 2HB SER 1 -5.828 -16.312 1.548 6 2HB SER 1 1HB SER 1 -7.514 -16.823 1.447 7 HG SER 1 HG SER 1 -6.905 -18.792 0.984 8 HA PRO 2 HA PRO 2 -8.631 -12.615 -1.369 9 1HB PRO 2 2HB PRO 2 -10.941 -12.609 0.153 10 2HB PRO 2 1HB PRO 2 -10.818 -13.176 -1.514 11 1HG PRO 2 2HG PRO 2 -10.792 -14.744 1.027 12 2HG PRO 2 1HG PRO 2 -11.570 -15.125 -0.520 13 1HD PRO 2 2HD PRO 2 -9.281 -16.302 0.219 14 2HD PRO 2 1HD PRO 2 -9.592 -15.867 -1.475 15 H GLU 3 H GLU 3 -8.247 -13.843 1.886 16 HA GLU 3 HA GLU 3 -8.660 -11.629 3.450 17 1HB GLU 3 2HB GLU 3 -6.357 -13.567 3.736 18 2HB GLU 3 1HB GLU 3 -6.935 -12.481 4.988 19 1HG GLU 3 2HG GLU 3 -7.926 -14.441 5.603 20 2HG GLU 3 1HG GLU 3 -9.196 -13.716 4.619 21 H ILE 4 H ILE 4 -5.340 -12.472 2.391 22 HA ILE 4 HA ILE 4 -4.521 -9.769 2.682 23 HB ILE 4 HB ILE 4 -3.244 -12.366 2.007 24 1HG1 ILE 4 2HG1 ILE 4 -3.487 -11.782 4.325 25 2HG1 ILE 4 1HG1 ILE 4 -1.781 -11.700 3.900 26 1HG2 ILE 4 1HG2 ILE 4 -1.174 -11.484 1.420 27 2HG2 ILE 4 2HG2 ILE 4 -1.659 -9.833 1.791 28 3HG2 ILE 4 3HG2 ILE 4 -2.336 -10.660 0.386 29 1HD1 ILE 4 1HD1 ILE 4 -2.516 -9.852 5.348 30 2HD1 ILE 4 2HD1 ILE 4 -3.619 -9.326 4.076 31 3HD1 ILE 4 3HD1 ILE 4 -1.878 -9.298 3.801 32 H MET 5 H MET 5 -5.934 -11.544 0.165 33 HA MET 5 HA MET 5 -4.724 -10.382 -2.099 34 1HB MET 5 2HB MET 5 -6.217 -12.446 -1.977 35 2HB MET 5 1HB MET 5 -7.578 -11.341 -1.893 36 1HG MET 5 2HG MET 5 -5.618 -11.185 -4.149 37 2HG MET 5 1HG MET 5 -6.943 -12.343 -4.167 38 1HE MET 5 1HE MET 5 -9.261 -10.737 -2.700 39 2HE MET 5 2HE MET 5 -9.504 -11.671 -4.177 40 3HE MET 5 3HE MET 5 -10.080 -10.007 -4.079 41 H LYS 6 H LYS 6 -7.440 -9.443 -0.063 42 HA LYS 6 HA LYS 6 -7.892 -7.056 -1.677 43 1HB LYS 6 2HB LYS 6 -9.862 -8.305 -0.940 44 2HB LYS 6 1HB LYS 6 -9.372 -8.119 0.737 45 1HG LYS 6 2HG LYS 6 -9.779 -5.780 0.686 46 2HG LYS 6 1HG LYS 6 -9.983 -5.792 -1.066 47 1HD LYS 6 2HD LYS 6 -11.783 -7.207 0.902 48 2HD LYS 6 1HD LYS 6 -12.131 -5.652 0.144 49 1HE LYS 6 2HE LYS 6 -11.978 -6.758 -2.072 50 2HE LYS 6 1HE LYS 6 -11.774 -8.303 -1.250 51 1HZ LYS 6 1HZ LYS 6 -14.139 -6.526 -0.963 52 2HZ LYS 6 2HZ LYS 6 -13.948 -8.066 -0.276 53 3HZ LYS 6 3HZ LYS 6 -14.066 -7.896 -1.960 54 H ASN 7 H ASN 7 -6.922 -5.226 -1.234 55 HA ASN 7 HA ASN 7 -5.215 -4.930 1.047 56 1HB ASN 7 2HB ASN 7 -4.783 -3.929 -1.220 57 2HB ASN 7 1HB ASN 7 -6.111 -2.815 -0.931 58 1HD2 ASN 7 1HD2 ASN 7 -3.412 -2.147 -1.479 59 2HD2 ASN 7 2HD2 ASN 7 -2.798 -1.282 -0.105 60 H LEU 8 H LEU 8 -5.629 -3.931 2.956 61 HA LEU 8 HA LEU 8 -8.235 -3.404 3.802 62 1HB LEU 8 2HB LEU 8 -5.593 -2.466 4.915 63 2HB LEU 8 1HB LEU 8 -7.129 -2.172 5.709 64 HG LEU 8 HG LEU 8 -5.863 -4.860 5.177 65 1HD1 LEU 8 1HD1 LEU 8 -4.804 -3.816 7.027 66 2HD1 LEU 8 2HD1 LEU 8 -5.967 -4.963 7.690 67 3HD1 LEU 8 3HD1 LEU 8 -6.345 -3.241 7.666 68 1HD2 LEU 8 1HD2 LEU 8 -7.774 -5.798 6.383 69 2HD2 LEU 8 2HD2 LEU 8 -8.282 -4.993 4.898 70 3HD2 LEU 8 3HD2 LEU 8 -8.513 -4.199 6.456 71 H SER 9 H SER 9 -5.729 -1.195 2.613 72 HA SER 9 HA SER 9 -7.114 1.208 3.079 73 1HB SER 9 2HB SER 9 -5.131 0.632 0.862 74 2HB SER 9 1HB SER 9 -5.538 2.213 1.526 75 HG SER 9 HG SER 9 -3.582 0.793 2.302 76 H ASN 10 H ASN 10 -7.142 -1.039 0.369 77 HA ASN 10 HA ASN 10 -8.799 0.607 -1.296 78 1HB ASN 10 2HB ASN 10 -7.260 -1.035 -2.280 79 2HB ASN 10 1HB ASN 10 -8.138 -2.343 -1.493 80 1HD2 ASN 10 1HD2 ASN 10 -8.197 0.027 -4.030 81 2HD2 ASN 10 2HD2 ASN 10 -9.550 -0.623 -4.894 82 H ASN 11 H ASN 11 -9.291 -2.000 0.997 83 HA ASN 11 HA ASN 11 -12.011 -2.502 0.390 84 1HB ASN 11 2HB ASN 11 -10.538 -4.040 1.711 85 2HB ASN 11 1HB ASN 11 -10.612 -2.893 3.047 86 1HD2 ASN 11 1HD2 ASN 11 -11.623 -4.299 4.449 87 2HD2 ASN 11 2HD2 ASN 11 -13.262 -4.819 4.244 88 H PHE 12 H PHE 12 -10.566 -0.743 3.160 89 HA PHE 12 HA PHE 12 -12.719 0.703 4.013 90 1HB PHE 12 2HB PHE 12 -9.829 1.439 3.760 91 2HB PHE 12 1HB PHE 12 -10.987 2.652 4.293 92 HD1 PHE 12 1HD PHE 12 -9.191 -0.382 5.184 93 HD2 PHE 12 2HD PHE 12 -12.199 2.373 6.399 94 HE1 PHE 12 1HE PHE 12 -9.053 -1.252 7.480 95 HE2 PHE 12 2HE PHE 12 -12.065 1.508 8.699 96 HZ PHE 12 HZ PHE 12 -10.491 -0.305 9.242 97 H GLY 13 H GLY 13 -10.454 2.252 1.649 98 1HA GLY 13 2HA GLY 13 -10.873 3.825 0.043 99 2HA GLY 13 1HA GLY 13 -12.283 2.849 -0.322 100 H LYS 14 H LYS 14 -11.675 4.678 2.654 101 HA LYS 14 HA LYS 14 -14.197 5.945 2.573 102 1HB LYS 14 2HB LYS 14 -12.790 5.482 4.631 103 2HB LYS 14 1HB LYS 14 -11.756 6.812 4.142 104 1HG LYS 14 2HG LYS 14 -14.699 7.145 4.656 105 2HG LYS 14 1HG LYS 14 -13.477 7.319 5.913 106 1HD LYS 14 2HD LYS 14 -12.409 9.103 4.625 107 2HD LYS 14 1HD LYS 14 -13.631 8.924 3.365 108 1HE LYS 14 2HE LYS 14 -15.362 9.471 5.073 109 2HE LYS 14 1HE LYS 14 -14.058 9.820 6.209 110 1HZ LYS 14 1HZ LYS 14 -13.236 11.493 4.615 111 2HZ LYS 14 2HZ LYS 14 -14.788 11.848 5.205 112 3HZ LYS 14 3HZ LYS 14 -14.600 11.213 3.642 113 H ALA 15 H ALA 15 -10.916 7.248 2.190 114 HA ALA 15 HA ALA 15 -11.786 8.970 0.042 115 1HB ALA 15 1HB ALA 15 -10.763 10.113 2.633 116 2HB ALA 15 2HB ALA 15 -12.365 10.351 1.934 117 3HB ALA 15 3HB ALA 15 -10.944 11.025 1.135 118 H MET 16 H MET 16 -10.302 7.804 -1.188 119 HA MET 16 HA MET 16 -7.543 7.600 -0.474 120 1HB MET 16 2HB MET 16 -8.882 7.345 -3.174 121 2HB MET 16 1HB MET 16 -7.213 6.914 -2.831 122 1HG MET 16 2HG MET 16 -8.005 5.220 -1.231 123 2HG MET 16 1HG MET 16 -9.666 5.630 -1.651 124 1HE MET 16 1HE MET 16 -8.648 2.675 -1.773 125 2HE MET 16 2HE MET 16 -9.283 2.141 -3.330 126 3HE MET 16 3HE MET 16 -10.269 3.154 -2.277 127 H ASP 17 H ASP 17 -9.538 9.952 -2.018 128 HA ASP 17 HA ASP 17 -7.613 11.435 -3.424 129 1HB ASP 17 2HB ASP 17 -10.023 11.716 -3.770 130 2HB ASP 17 1HB ASP 17 -10.169 12.399 -2.149 131 H GLN 18 H GLN 18 -8.245 11.243 -0.051 132 HA GLN 18 HA GLN 18 -7.012 13.828 0.378 133 1HB GLN 18 2HB GLN 18 -8.398 11.899 2.197 134 2HB GLN 18 1HB GLN 18 -7.407 13.200 2.851 135 1HG GLN 18 2HG GLN 18 -8.809 14.671 1.201 136 2HG GLN 18 1HG GLN 18 -9.959 13.352 1.329 137 1HE2 GLN 18 1HE2 GLN 18 -10.072 16.148 2.286 138 2HE2 GLN 18 2HE2 GLN 18 -10.446 16.033 3.979 139 H CYS 19 H CYS 19 -6.162 10.455 0.559 140 HA CYS 19 HA CYS 19 -3.638 10.994 1.815 141 1HB CYS 19 2HB CYS 19 -4.447 8.744 2.007 142 2HB CYS 19 1HB CYS 19 -4.633 8.589 0.266 143 H LYS 20 H LYS 20 -4.864 10.781 -1.492 144 HA LYS 20 HA LYS 20 -2.376 10.995 -2.792 145 1HB LYS 20 2HB LYS 20 -3.570 11.036 -4.707 146 2HB LYS 20 1HB LYS 20 -4.829 10.446 -3.654 147 1HG LYS 20 2HG LYS 20 -5.893 12.041 -4.947 148 2HG LYS 20 1HG LYS 20 -5.524 12.920 -3.461 149 1HD LYS 20 2HD LYS 20 -3.977 14.246 -4.468 150 2HD LYS 20 1HD LYS 20 -3.474 12.983 -5.591 151 1HE LYS 20 2HE LYS 20 -4.567 14.804 -6.783 152 2HE LYS 20 1HE LYS 20 -5.536 13.338 -6.884 153 1HZ LYS 20 1HZ LYS 20 -6.971 14.207 -5.134 154 2HZ LYS 20 2HZ LYS 20 -6.907 15.270 -6.450 155 3HZ LYS 20 3HZ LYS 20 -6.038 15.621 -5.041 156 H ASP 21 H ASP 21 -4.681 13.365 -1.630 157 HA ASP 21 HA ASP 21 -3.273 15.624 -2.620 158 1HB ASP 21 2HB ASP 21 -5.698 15.613 -2.047 159 2HB ASP 21 1HB ASP 21 -5.266 15.509 -0.346 160 H GLU 22 H GLU 22 -3.321 13.961 0.508 161 HA GLU 22 HA GLU 22 -1.817 15.953 1.866 162 1HB GLU 22 2HB GLU 22 -3.378 14.113 2.814 163 2HB GLU 22 1HB GLU 22 -1.954 13.085 2.738 164 1HG GLU 22 2HG GLU 22 -0.759 14.696 4.178 165 2HG GLU 22 1HG GLU 22 -2.242 15.642 4.295 166 H LEU 23 H LEU 23 -0.940 12.885 0.291 167 HA LEU 23 HA LEU 23 1.816 13.139 1.140 168 1HB LEU 23 2HB LEU 23 0.506 11.149 -0.706 169 2HB LEU 23 1HB LEU 23 2.169 11.065 -0.157 170 HG LEU 23 HG LEU 23 -0.349 10.649 1.420 171 1HD1 LEU 23 1HD1 LEU 23 0.666 8.702 0.343 172 2HD1 LEU 23 2HD1 LEU 23 0.788 8.600 2.099 173 3HD1 LEU 23 3HD1 LEU 23 2.197 9.057 1.143 174 1HD2 LEU 23 1HD2 LEU 23 1.352 12.313 2.397 175 2HD2 LEU 23 2HD2 LEU 23 2.326 10.868 2.723 176 3HD2 LEU 23 3HD2 LEU 23 0.711 11.024 3.426 177 H SER 24 H SER 24 0.096 14.660 -1.084 178 HA SER 24 HA SER 24 0.594 16.041 -2.806 179 1HB SER 24 2HB SER 24 3.463 15.293 -2.223 180 2HB SER 24 1HB SER 24 2.927 16.671 -3.181 181 HG SER 24 HG SER 24 1.678 17.120 -1.062 182 H LEU 25 H LEU 25 0.085 13.204 -3.135 183 HA LEU 25 HA LEU 25 1.546 12.127 -5.275 184 1HB LEU 25 2HB LEU 25 -1.190 11.704 -4.196 185 2HB LEU 25 1HB LEU 25 -0.815 11.045 -5.775 186 HG LEU 25 HG LEU 25 0.919 9.656 -4.859 187 1HD1 LEU 25 1HD1 LEU 25 1.791 11.187 -3.184 188 2HD1 LEU 25 2HD1 LEU 25 1.423 9.612 -2.479 189 3HD1 LEU 25 3HD1 LEU 25 0.331 10.973 -2.218 190 1HD2 LEU 25 1HD2 LEU 25 -0.447 8.445 -3.060 191 2HD2 LEU 25 2HD2 LEU 25 -1.103 8.545 -4.695 192 3HD2 LEU 25 3HD2 LEU 25 -1.707 9.621 -3.435 193 HA PRO 26 HA PRO 26 0.209 14.838 -8.587 194 1HB PRO 26 2HB PRO 26 1.847 13.058 -10.239 195 2HB PRO 26 1HB PRO 26 2.045 14.784 -9.929 196 1HG PRO 26 2HG PRO 26 3.745 12.936 -8.939 197 2HG PRO 26 1HG PRO 26 3.360 14.432 -8.071 198 1HD PRO 26 2HD PRO 26 2.300 11.669 -7.642 199 2HD PRO 26 1HD PRO 26 2.789 12.880 -6.439 200 H ASP 27 H ASP 27 -0.957 14.479 -10.604 201 HA ASP 27 HA ASP 27 -2.880 12.412 -10.270 202 1HB ASP 27 2HB ASP 27 -4.007 13.293 -12.192 203 2HB ASP 27 1HB ASP 27 -3.437 14.635 -11.211 204 H SER 28 H SER 28 0.097 12.531 -11.900 205 HA SER 28 HA SER 28 -0.321 10.541 -13.851 206 1HB SER 28 2HB SER 28 2.217 10.217 -13.526 207 2HB SER 28 1HB SER 28 1.667 11.816 -14.029 208 HG SER 28 HG SER 28 3.228 11.597 -12.162 209 H VAL 29 H VAL 29 0.821 10.378 -10.499 210 HA VAL 29 HA VAL 29 1.162 7.560 -10.508 211 HB VAL 29 HB VAL 29 0.852 9.357 -8.107 212 1HG1 VAL 29 1HG1 VAL 29 2.436 7.492 -7.242 213 2HG1 VAL 29 2HG1 VAL 29 1.695 6.534 -8.515 214 3HG1 VAL 29 3HG1 VAL 29 0.696 7.245 -7.245 215 1HG2 VAL 29 1HG2 VAL 29 2.650 10.247 -9.329 216 2HG2 VAL 29 2HG2 VAL 29 3.260 8.658 -9.761 217 3HG2 VAL 29 3HG2 VAL 29 3.382 9.228 -8.097 218 H VAL 30 H VAL 30 -1.382 9.700 -9.206 219 HA VAL 30 HA VAL 30 -2.966 7.687 -8.061 220 HB VAL 30 HB VAL 30 -4.805 9.217 -8.076 221 1HG1 VAL 30 1HG1 VAL 30 -3.704 11.239 -7.128 222 2HG1 VAL 30 2HG1 VAL 30 -2.157 10.566 -7.627 223 3HG1 VAL 30 3HG1 VAL 30 -3.154 9.713 -6.448 224 1HG2 VAL 30 1HG2 VAL 30 -4.754 11.357 -9.264 225 2HG2 VAL 30 2HG2 VAL 30 -4.712 9.991 -10.378 226 3HG2 VAL 30 3HG2 VAL 30 -3.235 10.891 -10.032 227 H ALA 31 H ALA 31 -2.611 8.791 -11.358 228 HA ALA 31 HA ALA 31 -4.846 7.523 -12.520 229 1HB ALA 31 1HB ALA 31 -2.173 8.084 -13.774 230 2HB ALA 31 2HB ALA 31 -3.496 9.246 -13.641 231 3HB ALA 31 3HB ALA 31 -3.691 7.797 -14.628 232 H ASP 32 H ASP 32 -1.430 6.438 -12.351 233 HA ASP 32 HA ASP 32 -1.996 3.865 -13.416 234 1HB ASP 32 2HB ASP 32 0.343 5.058 -11.988 235 2HB ASP 32 1HB ASP 32 0.251 3.306 -12.147 236 H LEU 33 H LEU 33 -1.812 5.157 -10.181 237 HA LEU 33 HA LEU 33 -2.186 2.914 -8.631 238 1HB LEU 33 2HB LEU 33 -1.824 4.925 -7.532 239 2HB LEU 33 1HB LEU 33 -3.063 5.760 -8.441 240 HG LEU 33 HG LEU 33 -4.291 3.718 -6.836 241 1HD1 LEU 33 1HD1 LEU 33 -2.430 5.635 -5.450 242 2HD1 LEU 33 2HD1 LEU 33 -2.383 3.870 -5.375 243 3HD1 LEU 33 3HD1 LEU 33 -3.724 4.751 -4.638 244 1HD2 LEU 33 1HD2 LEU 33 -5.137 5.909 -7.853 245 2HD2 LEU 33 2HD2 LEU 33 -4.417 6.686 -6.439 246 3HD2 LEU 33 3HD2 LEU 33 -5.690 5.479 -6.233 247 H TYR 34 H TYR 34 -4.805 4.988 -9.959 248 HA TYR 34 HA TYR 34 -6.848 3.173 -9.280 249 1HB TYR 34 2HB TYR 34 -6.737 5.530 -11.108 250 2HB TYR 34 1HB TYR 34 -8.191 4.534 -11.017 251 HD1 TYR 34 1HD TYR 34 -8.502 3.817 -8.314 252 HD2 TYR 34 2HD TYR 34 -7.039 7.494 -9.875 253 HE1 TYR 34 1HE TYR 34 -9.159 4.946 -6.239 254 HE2 TYR 34 2HE TYR 34 -7.699 8.639 -7.796 255 HH TYR 34 HH TYR 34 -8.498 6.948 -4.980 256 H ASN 35 H ASN 35 -4.603 2.090 -11.344 257 HA ASN 35 HA ASN 35 -6.089 1.328 -13.621 258 1HB ASN 35 2HB ASN 35 -3.655 1.239 -13.637 259 2HB ASN 35 1HB ASN 35 -3.661 0.063 -12.328 260 1HD2 ASN 35 1HD2 ASN 35 -2.560 -1.467 -13.519 261 2HD2 ASN 35 2HD2 ASN 35 -3.297 -2.331 -14.820 262 H PHE 36 H PHE 36 -7.754 -0.035 -13.702 263 HA PHE 36 HA PHE 36 -8.294 -1.712 -11.386 264 1HB PHE 36 2HB PHE 36 -10.017 -0.995 -13.760 265 2HB PHE 36 1HB PHE 36 -10.534 -2.022 -12.426 266 HD1 PHE 36 1HD PHE 36 -10.591 1.222 -13.681 267 HD2 PHE 36 2HD PHE 36 -10.152 -0.923 -10.031 268 HE1 PHE 36 1HE PHE 36 -11.299 3.216 -12.427 269 HE2 PHE 36 2HE PHE 36 -10.865 1.067 -8.771 270 HZ PHE 36 HZ PHE 36 -11.438 3.141 -9.969 271 H TRP 37 H TRP 37 -7.625 -2.059 -14.843 272 HA TRP 37 HA TRP 37 -8.258 -4.866 -14.782 273 1HB TRP 37 2HB TRP 37 -7.332 -4.907 -17.106 274 2HB TRP 37 1HB TRP 37 -8.654 -3.777 -16.874 275 HD1 TRP 37 HD TRP 37 -4.999 -3.951 -17.846 276 HE1 TRP 37 1HE TRP 37 -4.237 -1.635 -18.673 277 HE3 TRP 37 3HE TRP 37 -9.096 -1.213 -16.473 278 HZ2 TRP 37 2HZ TRP 37 -5.243 1.004 -18.732 279 HZ3 TRP 37 3HZ TRP 37 -9.116 1.199 -16.951 280 HH2 TRP 37 HH TRP 37 -7.228 2.284 -18.057 281 H LYS 38 H LYS 38 -6.733 -6.560 -15.243 282 HA LYS 38 HA LYS 38 -4.664 -6.252 -13.267 283 1HB LYS 38 2HB LYS 38 -5.617 -8.673 -14.796 284 2HB LYS 38 1HB LYS 38 -4.387 -8.719 -13.542 285 1HG LYS 38 2HG LYS 38 -6.290 -9.356 -12.407 286 2HG LYS 38 1HG LYS 38 -6.202 -7.636 -12.048 287 1HD LYS 38 2HD LYS 38 -7.833 -7.193 -13.827 288 2HD LYS 38 1HD LYS 38 -7.917 -8.920 -14.174 289 1HE LYS 38 2HE LYS 38 -8.699 -9.299 -11.852 290 2HE LYS 38 1HE LYS 38 -8.719 -7.553 -11.608 291 1HZ LYS 38 1HZ LYS 38 -10.914 -8.358 -12.157 292 2HZ LYS 38 2HZ LYS 38 -10.340 -9.063 -13.588 293 3HZ LYS 38 3HZ LYS 38 -10.340 -7.375 -13.417 294 H ASP 39 H ASP 39 -3.771 -4.689 -15.121 295 HA ASP 39 HA ASP 39 -2.036 -5.668 -17.046 296 1HB ASP 39 2HB ASP 39 -2.430 -3.278 -16.735 297 2HB ASP 39 1HB ASP 39 -1.604 -3.324 -15.180 298 H ASP 40 H ASP 40 -1.547 -5.529 -13.525 299 HA ASP 40 HA ASP 40 -0.020 -6.465 -12.158 300 1HB ASP 40 2HB ASP 40 -0.731 -8.564 -13.225 301 2HB ASP 40 1HB ASP 40 0.473 -8.333 -14.489 302 H TYR 41 H TYR 41 1.021 -4.369 -12.506 303 HA TYR 41 HA TYR 41 3.522 -4.560 -14.006 304 1HB TYR 41 2HB TYR 41 3.611 -2.064 -13.702 305 2HB TYR 41 1HB TYR 41 2.266 -2.638 -14.663 306 HD1 TYR 41 1HD TYR 41 1.193 -0.454 -14.343 307 HD2 TYR 41 2HD TYR 41 2.047 -2.985 -11.036 308 HE1 TYR 41 1HE TYR 41 -0.342 0.864 -12.946 309 HE2 TYR 41 2HE TYR 41 0.506 -1.680 -9.635 310 HH TYR 41 HH TYR 41 -1.527 0.839 -10.963 311 H VAL 42 H VAL 42 5.453 -3.572 -13.000 312 HA VAL 42 HA VAL 42 5.681 -4.304 -10.209 313 HB VAL 42 HB VAL 42 7.753 -3.068 -12.039 314 1HG1 VAL 42 1HG1 VAL 42 8.047 -4.462 -9.380 315 2HG1 VAL 42 2HG1 VAL 42 8.266 -2.739 -9.687 316 3HG1 VAL 42 3HG1 VAL 42 9.374 -3.910 -10.403 317 1HG2 VAL 42 1HG2 VAL 42 6.994 -5.218 -12.896 318 2HG2 VAL 42 2HG2 VAL 42 7.291 -5.963 -11.325 319 3HG2 VAL 42 3HG2 VAL 42 8.640 -5.339 -12.274 320 H MET 43 H MET 43 5.118 -2.922 -8.659 321 HA MET 43 HA MET 43 4.587 -0.166 -9.224 322 1HB MET 43 2HB MET 43 3.273 -1.471 -7.580 323 2HB MET 43 1HB MET 43 4.696 -1.601 -6.560 324 1HG MET 43 2HG MET 43 4.684 0.708 -6.081 325 2HG MET 43 1HG MET 43 3.511 1.037 -7.355 326 1HE MET 43 1HE MET 43 2.420 -1.342 -3.549 327 2HE MET 43 2HE MET 43 4.054 -0.772 -3.886 328 3HE MET 43 3HE MET 43 3.329 -2.022 -4.898 329 H THR 44 H THR 44 6.355 1.032 -9.706 330 HA THR 44 HA THR 44 8.658 0.813 -7.892 331 HB THR 44 HB THR 44 9.875 1.969 -9.860 332 HG1 THR 44 1HG THR 44 7.722 0.773 -11.300 333 1HG2 THR 44 1HG2 THR 44 8.912 -0.884 -10.130 334 2HG2 THR 44 2HG2 THR 44 10.278 -0.345 -9.151 335 3HG2 THR 44 3HG2 THR 44 10.338 -0.194 -10.907 336 H ASP 45 H ASP 45 6.109 2.849 -8.742 337 HA ASP 45 HA ASP 45 7.525 5.322 -8.240 338 1HB ASP 45 2HB ASP 45 5.454 5.084 -9.729 339 2HB ASP 45 1HB ASP 45 4.540 5.016 -8.229 340 H ARG 46 H ARG 46 7.595 6.491 -6.504 341 HA ARG 46 HA ARG 46 7.532 4.974 -4.085 342 1HB ARG 46 2HB ARG 46 8.310 7.823 -4.709 343 2HB ARG 46 1HB ARG 46 8.399 7.134 -3.108 344 1HG ARG 46 2HG ARG 46 10.575 7.053 -4.043 345 2HG ARG 46 1HG ARG 46 9.961 5.401 -3.996 346 1HD ARG 46 2HD ARG 46 9.246 5.772 -6.414 347 2HD ARG 46 1HD ARG 46 10.239 7.229 -6.372 348 HE ARG 46 HE ARG 46 11.825 5.145 -5.446 349 1HH1 ARG 46 1HH1 ARG 46 10.276 6.146 -8.431 350 2HH1 ARG 46 2HH1 ARG 46 11.318 5.188 -9.433 351 1HH2 ARG 46 1HH2 ARG 46 13.201 3.901 -6.769 352 2HH2 ARG 46 2HH2 ARG 46 12.967 3.908 -8.498 353 H LEU 47 H LEU 47 5.529 7.390 -5.580 354 HA LEU 47 HA LEU 47 4.143 8.096 -3.169 355 1HB LEU 47 2HB LEU 47 3.680 8.705 -6.083 356 2HB LEU 47 1HB LEU 47 2.497 9.133 -4.864 357 HG LEU 47 HG LEU 47 3.773 11.069 -5.249 358 1HD1 LEU 47 1HD1 LEU 47 3.336 10.475 -2.880 359 2HD1 LEU 47 2HD1 LEU 47 4.722 11.552 -3.122 360 3HD1 LEU 47 3HD1 LEU 47 4.985 9.838 -2.794 361 1HD2 LEU 47 1HD2 LEU 47 5.619 10.145 -6.444 362 2HD2 LEU 47 2HD2 LEU 47 6.226 9.360 -4.983 363 3HD2 LEU 47 3HD2 LEU 47 6.229 11.121 -5.105 364 H ALA 48 H ALA 48 4.048 5.449 -5.257 365 HA ALA 48 HA ALA 48 1.212 4.921 -4.915 366 1HB ALA 48 1HB ALA 48 2.332 4.348 -7.022 367 2HB ALA 48 2HB ALA 48 1.614 2.939 -6.252 368 3HB ALA 48 3HB ALA 48 3.357 3.204 -6.164 369 H GLY 49 H GLY 49 4.182 3.042 -4.304 370 1HA GLY 49 2HA GLY 49 3.580 1.434 -2.267 371 2HA GLY 49 1HA GLY 49 5.027 2.422 -2.217 372 H CYS 50 H CYS 50 4.027 4.985 -1.654 373 HA CYS 50 HA CYS 50 3.438 4.754 1.097 374 1HB CYS 50 2HB CYS 50 3.569 7.033 -0.836 375 2HB CYS 50 1HB CYS 50 2.829 7.295 0.736 376 H ALA 51 H ALA 51 1.373 5.519 -1.707 377 HA ALA 51 HA ALA 51 -0.933 6.139 -0.175 378 1HB ALA 51 1HB ALA 51 -0.621 6.885 -2.489 379 2HB ALA 51 2HB ALA 51 -2.142 6.021 -2.276 380 3HB ALA 51 3HB ALA 51 -0.772 5.217 -3.039 381 H ILE 52 H ILE 52 0.449 3.145 -1.225 382 HA ILE 52 HA ILE 52 -1.851 1.518 -1.082 383 HB ILE 52 HB ILE 52 1.069 0.837 -0.717 384 1HG1 ILE 52 2HG1 ILE 52 0.515 1.649 -2.941 385 2HG1 ILE 52 1HG1 ILE 52 0.854 -0.076 -3.001 386 1HG2 ILE 52 1HG2 ILE 52 -0.273 -0.844 0.414 387 2HG2 ILE 52 2HG2 ILE 52 0.454 -1.506 -1.050 388 3HG2 ILE 52 3HG2 ILE 52 -1.253 -1.060 -1.035 389 1HD1 ILE 52 1HD1 ILE 52 -1.035 0.485 -4.404 390 2HD1 ILE 52 2HD1 ILE 52 -1.871 1.198 -3.023 391 3HD1 ILE 52 3HD1 ILE 52 -1.547 -0.536 -3.059 392 H ASN 53 H ASN 53 0.332 2.759 1.348 393 HA ASN 53 HA ASN 53 -1.294 1.424 3.393 394 1HB ASN 53 2HB ASN 53 0.844 1.135 4.747 395 2HB ASN 53 1HB ASN 53 0.617 0.049 3.387 396 1HD2 ASN 53 1HD2 ASN 53 1.690 3.411 3.140 397 2HD2 ASN 53 2HD2 ASN 53 3.275 3.035 2.569 398 H CYS 54 H CYS 54 -1.946 3.903 2.787 399 HA CYS 54 HA CYS 54 -0.670 5.519 4.888 400 1HB CYS 54 2HB CYS 54 -1.460 7.515 3.658 401 2HB CYS 54 1HB CYS 54 -0.340 6.530 2.724 402 H LEU 55 H LEU 55 -3.806 4.705 3.417 403 HA LEU 55 HA LEU 55 -5.449 6.313 4.980 404 1HB LEU 55 2HB LEU 55 -5.939 3.670 3.646 405 2HB LEU 55 1HB LEU 55 -7.180 4.408 4.637 406 HG LEU 55 HG LEU 55 -6.992 6.450 3.126 407 1HD1 LEU 55 1HD1 LEU 55 -4.834 5.931 2.118 408 2HD1 LEU 55 2HD1 LEU 55 -6.091 6.069 0.890 409 3HD1 LEU 55 3HD1 LEU 55 -5.515 4.479 1.387 410 1HD2 LEU 55 1HD2 LEU 55 -8.847 4.874 3.026 411 2HD2 LEU 55 2HD2 LEU 55 -7.925 3.842 1.932 412 3HD2 LEU 55 3HD2 LEU 55 -8.420 5.454 1.416 413 H ALA 56 H ALA 56 -4.211 3.084 5.682 414 HA ALA 56 HA ALA 56 -5.829 2.824 8.050 415 1HB ALA 56 1HB ALA 56 -5.263 0.873 6.683 416 2HB ALA 56 2HB ALA 56 -4.674 0.689 8.336 417 3HB ALA 56 3HB ALA 56 -3.553 1.118 7.042 418 H THR 57 H THR 57 -2.878 4.288 7.282 419 HA THR 57 HA THR 57 -1.788 4.096 9.948 420 HB THR 57 HB THR 57 -0.890 5.997 7.779 421 HG1 THR 57 1HG THR 57 -0.786 3.299 7.831 422 1HG2 THR 57 1HG2 THR 57 0.211 4.937 10.329 423 2HG2 THR 57 2HG2 THR 57 0.114 6.614 9.780 424 3HG2 THR 57 3HG2 THR 57 1.301 5.516 9.065 425 H LYS 58 H LYS 58 -3.660 6.271 8.019 426 HA LYS 58 HA LYS 58 -3.514 8.498 9.768 427 1HB LYS 58 2HB LYS 58 -5.639 7.876 7.717 428 2HB LYS 58 1HB LYS 58 -5.266 9.454 8.395 429 1HG LYS 58 2HG LYS 58 -3.193 7.903 6.884 430 2HG LYS 58 1HG LYS 58 -4.405 8.868 6.032 431 1HD LYS 58 2HD LYS 58 -2.179 9.771 7.836 432 2HD LYS 58 1HD LYS 58 -2.596 10.311 6.216 433 1HE LYS 58 2HE LYS 58 -4.584 11.418 7.056 434 2HE LYS 58 1HE LYS 58 -4.244 10.836 8.685 435 1HZ LYS 58 1HZ LYS 58 -2.745 12.839 7.102 436 2HZ LYS 58 2HZ LYS 58 -2.059 12.075 8.447 437 3HZ LYS 58 3HZ LYS 58 -3.458 13.018 8.636 438 H LEU 59 H LEU 59 -5.744 5.743 9.530 439 HA LEU 59 HA LEU 59 -7.529 6.709 11.489 440 1HB LEU 59 2HB LEU 59 -6.871 3.985 10.449 441 2HB LEU 59 1HB LEU 59 -7.843 4.127 11.901 442 HG LEU 59 HG LEU 59 -9.271 3.842 9.974 443 1HD1 LEU 59 1HD1 LEU 59 -10.067 5.236 11.811 444 2HD1 LEU 59 2HD1 LEU 59 -10.725 5.763 10.263 445 3HD1 LEU 59 3HD1 LEU 59 -9.408 6.665 11.013 446 1HD2 LEU 59 1HD2 LEU 59 -9.397 5.527 8.202 447 2HD2 LEU 59 2HD2 LEU 59 -7.825 4.729 8.237 448 3HD2 LEU 59 3HD2 LEU 59 -8.003 6.354 8.897 449 H ASP 60 H ASP 60 -5.012 4.174 11.972 450 HA ASP 60 HA ASP 60 -3.817 5.360 14.204 451 1HB ASP 60 2HB ASP 60 -6.096 4.943 15.205 452 2HB ASP 60 1HB ASP 60 -5.799 3.218 15.004 453 H VAL 61 H VAL 61 -1.840 4.378 14.316 454 HA VAL 61 HA VAL 61 -1.451 1.583 14.349 455 HB VAL 61 HB VAL 61 -2.260 1.876 11.986 456 1HG1 VAL 61 1HG1 VAL 61 -1.247 4.008 11.510 457 2HG1 VAL 61 2HG1 VAL 61 -0.704 2.797 10.348 458 3HG1 VAL 61 3HG1 VAL 61 0.360 3.301 11.662 459 1HG2 VAL 61 1HG2 VAL 61 0.566 0.930 11.905 460 2HG2 VAL 61 2HG2 VAL 61 -0.855 0.265 11.091 461 3HG2 VAL 61 3HG2 VAL 61 -0.648 0.040 12.830 462 H VAL 62 H VAL 62 -0.363 4.039 15.621 463 HA VAL 62 HA VAL 62 2.396 3.947 14.620 464 HB VAL 62 HB VAL 62 2.836 6.042 15.570 465 1HG1 VAL 62 1HG1 VAL 62 1.502 6.205 13.574 466 2HG1 VAL 62 2HG1 VAL 62 1.092 7.512 14.684 467 3HG1 VAL 62 3HG1 VAL 62 0.021 6.120 14.528 468 1HG2 VAL 62 1HG2 VAL 62 1.446 7.245 17.116 469 2HG2 VAL 62 2HG2 VAL 62 1.814 5.651 17.782 470 3HG2 VAL 62 3HG2 VAL 62 0.230 5.967 17.071 471 H ASP 63 H ASP 63 3.850 2.752 15.625 472 HA ASP 63 HA ASP 63 3.473 1.629 18.200 473 1HB ASP 63 2HB ASP 63 4.906 0.782 16.194 474 2HB ASP 63 1HB ASP 63 6.156 1.808 16.857 475 HA PRO 64 HA PRO 64 6.615 4.722 19.821 476 1HB PRO 64 2HB PRO 64 8.274 5.999 18.094 477 2HB PRO 64 1HB PRO 64 8.447 4.287 18.495 478 1HG PRO 64 2HG PRO 64 7.693 5.470 15.970 479 2HG PRO 64 1HG PRO 64 7.965 3.762 16.346 480 1HD PRO 64 2HD PRO 64 5.427 5.294 16.268 481 2HD PRO 64 1HD PRO 64 5.700 3.576 15.993 482 H ASP 65 H ASP 65 7.766 7.216 18.613 483 HA ASP 65 HA ASP 65 5.849 9.032 19.678 484 1HB ASP 65 2HB ASP 65 8.482 9.468 18.265 485 2HB ASP 65 1HB ASP 65 7.556 10.748 19.039 486 H GLY 66 H GLY 66 5.757 7.599 16.779 487 1HA GLY 66 2HA GLY 66 3.845 8.774 15.449 488 2HA GLY 66 1HA GLY 66 5.074 9.999 15.250 489 H ASN 67 H ASN 67 7.093 9.362 14.285 490 HA ASN 67 HA ASN 67 6.726 7.754 11.942 491 1HB ASN 67 2HB ASN 67 9.239 8.300 11.678 492 2HB ASN 67 1HB ASN 67 8.096 9.638 11.611 493 1HD2 ASN 67 1HD2 ASN 67 10.508 8.029 13.591 494 2HD2 ASN 67 2HD2 ASN 67 10.739 9.342 14.700 495 H LEU 68 H LEU 68 8.035 5.950 11.340 496 HA LEU 68 HA LEU 68 9.155 4.000 11.589 497 1HB LEU 68 2HB LEU 68 10.133 5.410 14.044 498 2HB LEU 68 1HB LEU 68 10.517 3.720 13.793 499 HG LEU 68 HG LEU 68 12.363 5.125 13.079 500 1HD1 LEU 68 1HD1 LEU 68 11.069 4.069 10.582 501 2HD1 LEU 68 2HD1 LEU 68 11.743 3.017 11.825 502 3HD1 LEU 68 3HD1 LEU 68 12.785 4.161 10.980 503 1HD2 LEU 68 1HD2 LEU 68 10.412 6.375 11.153 504 2HD2 LEU 68 2HD2 LEU 68 12.152 6.659 11.187 505 3HD2 LEU 68 3HD2 LEU 68 11.150 7.161 12.549 506 H HIS 69 H HIS 69 6.437 4.301 12.405 507 HA HIS 69 HA HIS 69 5.986 2.680 14.703 508 1HB HIS 69 2HB HIS 69 3.619 2.554 13.759 509 2HB HIS 69 1HB HIS 69 4.232 4.147 14.174 510 HD1 HIS 69 1HD HIS 69 3.187 2.052 11.254 511 HD2 HIS 69 2HD HIS 69 4.569 5.897 12.013 512 HE1 HIS 69 1HE HIS 69 2.808 3.340 9.127 513 HE2 HIS 69 2HE HIS 69 3.768 5.632 9.568 514 H HIS 70 H HIS 70 7.400 0.915 14.230 515 HA HIS 70 HA HIS 70 6.658 -0.854 12.056 516 1HB HIS 70 2HB HIS 70 8.585 -2.213 12.727 517 2HB HIS 70 1HB HIS 70 9.031 -0.528 12.502 518 HD1 HIS 70 1HD HIS 70 9.558 -3.258 14.733 519 HD2 HIS 70 2HD HIS 70 9.053 0.842 15.217 520 HE1 HIS 70 1HE HIS 70 10.563 -2.705 16.975 521 HE2 HIS 70 2HE HIS 70 10.324 -0.205 17.216 522 H GLY 71 H GLY 71 6.829 -1.161 15.628 523 1HA GLY 71 2HA GLY 71 6.138 -3.879 15.653 524 2HA GLY 71 1HA GLY 71 6.063 -2.795 17.029 525 H ASN 72 H ASN 72 4.160 -1.191 16.846 526 HA ASN 72 HA ASN 72 1.780 -2.614 17.051 527 1HB ASN 72 2HB ASN 72 2.335 -0.363 18.052 528 2HB ASN 72 1HB ASN 72 1.974 0.346 16.483 529 1HD2 ASN 72 1HD2 ASN 72 0.336 1.558 17.552 530 2HD2 ASN 72 2HD2 ASN 72 -1.192 0.832 17.929 531 H ALA 73 H ALA 73 3.271 -1.328 14.185 532 HA ALA 73 HA ALA 73 0.893 -1.190 12.609 533 1HB ALA 73 1HB ALA 73 2.899 0.092 12.024 534 2HB ALA 73 2HB ALA 73 2.379 -0.953 10.703 535 3HB ALA 73 3HB ALA 73 3.758 -1.414 11.699 536 H LYS 74 H LYS 74 3.308 -3.658 13.288 537 HA LYS 74 HA LYS 74 2.227 -5.486 11.349 538 1HB LYS 74 2HB LYS 74 4.220 -5.808 13.571 539 2HB LYS 74 1HB LYS 74 3.682 -7.158 12.582 540 1HG LYS 74 2HG LYS 74 5.069 -4.670 11.606 541 2HG LYS 74 1HG LYS 74 5.757 -6.283 11.738 542 1HD LYS 74 2HD LYS 74 3.477 -5.483 9.942 543 2HD LYS 74 1HD LYS 74 5.138 -5.791 9.432 544 1HE LYS 74 2HE LYS 74 4.922 -8.113 10.244 545 2HE LYS 74 1HE LYS 74 3.241 -7.789 10.668 546 1HZ LYS 74 1HZ LYS 74 2.882 -7.224 8.280 547 2HZ LYS 74 2HZ LYS 74 3.258 -8.848 8.567 548 3HZ LYS 74 3HZ LYS 74 4.439 -7.804 7.960 549 H ASP 75 H ASP 75 1.835 -4.855 14.773 550 HA ASP 75 HA ASP 75 0.149 -7.047 15.365 551 1HB ASP 75 2HB ASP 75 1.169 -5.622 17.111 552 2HB ASP 75 1HB ASP 75 0.154 -4.279 16.598 553 H PHE 76 H PHE 76 -0.438 -3.805 14.110 554 HA PHE 76 HA PHE 76 -3.237 -3.879 13.998 555 1HB PHE 76 2HB PHE 76 -1.918 -1.823 13.706 556 2HB PHE 76 1HB PHE 76 -1.287 -2.437 12.184 557 HD1 PHE 76 1HD PHE 76 -2.440 -2.084 10.183 558 HD2 PHE 76 2HD PHE 76 -4.400 -1.383 13.893 559 HE1 PHE 76 1HE PHE 76 -4.321 -1.046 8.988 560 HE2 PHE 76 2HE PHE 76 -6.285 -0.344 12.706 561 HZ PHE 76 HZ PHE 76 -6.249 -0.175 10.250 562 H ALA 77 H ALA 77 -0.779 -5.061 11.751 563 HA ALA 77 HA ALA 77 -2.579 -5.709 9.646 564 1HB ALA 77 1HB ALA 77 -0.691 -7.156 8.845 565 2HB ALA 77 2HB ALA 77 0.197 -6.674 10.291 566 3HB ALA 77 3HB ALA 77 -0.282 -5.460 9.104 567 H MET 78 H MET 78 -1.225 -7.551 12.340 568 HA MET 78 HA MET 78 -2.507 -9.996 11.576 569 1HB MET 78 2HB MET 78 -1.215 -9.157 14.179 570 2HB MET 78 1HB MET 78 -1.827 -10.774 13.857 571 1HG MET 78 2HG MET 78 -0.255 -10.956 11.969 572 2HG MET 78 1HG MET 78 0.401 -9.377 12.400 573 1HE MET 78 1HE MET 78 1.989 -10.065 15.901 574 2HE MET 78 2HE MET 78 0.375 -9.442 15.559 575 3HE MET 78 3HE MET 78 1.755 -8.884 14.613 576 H LYS 79 H LYS 79 -3.487 -7.195 13.290 577 HA LYS 79 HA LYS 79 -5.697 -8.563 14.580 578 1HB LYS 79 2HB LYS 79 -4.321 -6.576 15.539 579 2HB LYS 79 1HB LYS 79 -5.317 -5.569 14.504 580 1HG LYS 79 2HG LYS 79 -6.415 -5.486 16.526 581 2HG LYS 79 1HG LYS 79 -7.304 -6.736 15.652 582 1HD LYS 79 2HD LYS 79 -6.116 -8.472 16.828 583 2HD LYS 79 1HD LYS 79 -5.071 -7.279 17.608 584 1HE LYS 79 2HE LYS 79 -7.142 -6.290 18.627 585 2HE LYS 79 1HE LYS 79 -8.029 -7.680 18.007 586 1HZ LYS 79 1HZ LYS 79 -5.740 -7.808 19.893 587 2HZ LYS 79 2HZ LYS 79 -6.638 -9.133 19.332 588 3HZ LYS 79 3HZ LYS 79 -7.374 -7.964 20.318 589 H HIS 80 H HIS 80 -5.036 -7.120 11.551 590 HA HIS 80 HA HIS 80 -7.890 -7.056 10.914 591 1HB HIS 80 2HB HIS 80 -6.067 -4.727 10.266 592 2HB HIS 80 1HB HIS 80 -7.769 -4.867 9.858 593 HD1 HIS 80 1HD HIS 80 -9.455 -4.146 11.633 594 HD2 HIS 80 2HD HIS 80 -5.531 -4.223 13.009 595 HE1 HIS 80 1HE HIS 80 -9.501 -3.043 13.886 596 HE2 HIS 80 2HE HIS 80 -7.165 -3.312 14.791 597 H GLY 81 H GLY 81 -7.584 -8.833 9.561 598 1HA GLY 81 2HA GLY 81 -7.679 -9.019 7.118 599 2HA GLY 81 1HA GLY 81 -6.187 -8.100 7.062 600 H ALA 82 H ALA 82 -4.414 -9.240 8.541 601 HA ALA 82 HA ALA 82 -4.280 -11.961 7.432 602 1HB ALA 82 1HB ALA 82 -1.856 -10.602 8.489 603 2HB ALA 82 2HB ALA 82 -2.525 -10.049 6.953 604 3HB ALA 82 3HB ALA 82 -2.027 -11.730 7.143 605 H ASP 83 H ASP 83 -4.004 -13.693 8.746 606 HA ASP 83 HA ASP 83 -3.822 -13.294 11.608 607 1HB ASP 83 2HB ASP 83 -4.219 -15.530 11.891 608 2HB ASP 83 1HB ASP 83 -5.051 -15.219 10.382 609 H GLU 84 H GLU 84 -2.149 -14.772 12.697 610 HA GLU 84 HA GLU 84 0.041 -13.162 12.239 611 1HB GLU 84 2HB GLU 84 0.875 -14.130 14.275 612 2HB GLU 84 1HB GLU 84 -0.859 -13.934 14.378 613 1HG GLU 84 2HG GLU 84 -1.203 -16.280 13.913 614 2HG GLU 84 1HG GLU 84 0.538 -16.496 13.862 615 H THR 85 H THR 85 -0.836 -16.241 11.129 616 HA THR 85 HA THR 85 1.828 -17.277 10.898 617 HB THR 85 HB THR 85 -0.378 -18.591 11.064 618 HG1 THR 85 1HG THR 85 1.982 -19.241 10.360 619 1HG2 THR 85 1HG2 THR 85 -1.541 -17.671 9.182 620 2HG2 THR 85 2HG2 THR 85 -1.219 -19.378 8.865 621 3HG2 THR 85 3HG2 THR 85 -0.240 -18.133 8.085 622 H MET 86 H MET 86 -0.278 -15.295 8.890 623 HA MET 86 HA MET 86 1.383 -15.730 6.543 624 1HB MET 86 2HB MET 86 -0.933 -13.812 6.863 625 2HB MET 86 1HB MET 86 -0.176 -14.310 5.356 626 1HG MET 86 2HG MET 86 -0.898 -16.633 5.840 627 2HG MET 86 1HG MET 86 -1.772 -16.004 7.238 628 1HE MET 86 1HE MET 86 -4.522 -13.781 5.590 629 2HE MET 86 2HE MET 86 -2.966 -13.285 6.254 630 3HE MET 86 3HE MET 86 -3.933 -14.501 7.088 631 H ALA 87 H ALA 87 0.615 -13.244 8.887 632 HA ALA 87 HA ALA 87 2.303 -11.228 7.927 633 1HB ALA 87 1HB ALA 87 1.327 -11.969 10.667 634 2HB ALA 87 2HB ALA 87 0.778 -10.653 9.625 635 3HB ALA 87 3HB ALA 87 2.365 -10.568 10.391 636 H GLN 88 H GLN 88 2.853 -14.079 9.896 637 HA GLN 88 HA GLN 88 5.597 -13.445 10.462 638 1HB GLN 88 2HB GLN 88 3.731 -15.612 11.135 639 2HB GLN 88 1HB GLN 88 5.417 -16.093 11.012 640 1HG GLN 88 2HG GLN 88 4.640 -15.445 13.301 641 2HG GLN 88 1HG GLN 88 6.071 -14.601 12.720 642 1HE2 GLN 88 1HE2 GLN 88 2.700 -14.310 13.570 643 2HE2 GLN 88 2HE2 GLN 88 2.664 -12.573 13.582 644 H GLN 89 H GLN 89 3.917 -15.135 7.911 645 HA GLN 89 HA GLN 89 6.328 -16.258 6.826 646 1HB GLN 89 2HB GLN 89 3.605 -15.803 5.589 647 2HB GLN 89 1HB GLN 89 4.958 -16.463 4.690 648 1HG GLN 89 2HG GLN 89 3.203 -17.719 6.670 649 2HG GLN 89 1HG GLN 89 4.053 -18.417 5.297 650 1HE2 GLN 89 1HE2 GLN 89 4.054 -17.836 8.659 651 2HE2 GLN 89 2HE2 GLN 89 5.538 -18.656 9.031 652 H LEU 90 H LEU 90 4.848 -13.162 6.817 653 HA LEU 90 HA LEU 90 6.291 -12.252 4.477 654 1HB LEU 90 2HB LEU 90 4.027 -11.445 4.844 655 2HB LEU 90 1HB LEU 90 4.472 -10.823 6.418 656 HG LEU 90 HG LEU 90 6.076 -9.264 5.189 657 1HD1 LEU 90 1HD1 LEU 90 4.328 -9.745 2.805 658 2HD1 LEU 90 2HD1 LEU 90 5.818 -10.666 3.040 659 3HD1 LEU 90 3HD1 LEU 90 5.882 -8.909 2.910 660 1HD2 LEU 90 1HD2 LEU 90 3.108 -8.981 4.758 661 2HD2 LEU 90 2HD2 LEU 90 4.287 -7.674 4.668 662 3HD2 LEU 90 3HD2 LEU 90 4.003 -8.502 6.200 663 H VAL 91 H VAL 91 6.463 -11.924 7.985 664 HA VAL 91 HA VAL 91 8.035 -9.634 8.137 665 HB VAL 91 HB VAL 91 8.718 -10.413 10.393 666 1HG1 VAL 91 1HG1 VAL 91 6.477 -10.313 11.369 667 2HG1 VAL 91 2HG1 VAL 91 5.779 -10.616 9.778 668 3HG1 VAL 91 3HG1 VAL 91 6.678 -9.128 10.076 669 1HG2 VAL 91 1HG2 VAL 91 7.495 -12.916 9.416 670 2HG2 VAL 91 2HG2 VAL 91 7.251 -12.487 11.108 671 3HG2 VAL 91 3HG2 VAL 91 8.886 -12.669 10.470 672 H ASP 92 H ASP 92 9.081 -12.970 7.666 673 HA ASP 92 HA ASP 92 11.772 -12.477 8.389 674 1HB ASP 92 2HB ASP 92 12.250 -14.672 7.732 675 2HB ASP 92 1HB ASP 92 10.573 -14.740 8.268 676 H ILE 93 H ILE 93 10.047 -12.479 5.296 677 HA ILE 93 HA ILE 93 12.257 -11.725 3.709 678 HB ILE 93 HB ILE 93 9.303 -11.648 3.371 679 1HG1 ILE 93 2HG1 ILE 93 9.876 -12.703 1.217 680 2HG1 ILE 93 1HG1 ILE 93 11.582 -12.461 1.567 681 1HG2 ILE 93 1HG2 ILE 93 9.993 -9.348 2.736 682 2HG2 ILE 93 2HG2 ILE 93 9.350 -10.284 1.388 683 3HG2 ILE 93 3HG2 ILE 93 11.089 -10.047 1.546 684 1HD1 ILE 93 1HD1 ILE 93 9.680 -14.209 3.108 685 2HD1 ILE 93 2HD1 ILE 93 11.383 -13.957 3.493 686 3HD1 ILE 93 3HD1 ILE 93 10.927 -14.749 1.984 687 H ILE 94 H ILE 94 9.952 -9.904 5.652 688 HA ILE 94 HA ILE 94 10.562 -7.333 4.710 689 HB ILE 94 HB ILE 94 9.726 -8.138 7.502 690 1HG1 ILE 94 2HG1 ILE 94 8.122 -7.183 5.120 691 2HG1 ILE 94 1HG1 ILE 94 8.118 -8.808 5.797 692 1HG2 ILE 94 1HG2 ILE 94 9.675 -5.427 6.172 693 2HG2 ILE 94 2HG2 ILE 94 10.744 -5.922 7.486 694 3HG2 ILE 94 3HG2 ILE 94 9.005 -5.809 7.759 695 1HD1 ILE 94 1HD1 ILE 94 7.235 -6.351 7.274 696 2HD1 ILE 94 2HD1 ILE 94 7.099 -8.022 7.817 697 3HD1 ILE 94 3HD1 ILE 94 6.154 -7.463 6.435 698 H HIS 95 H HIS 95 11.954 -9.220 7.361 699 HA HIS 95 HA HIS 95 13.753 -7.151 8.174 700 1HB HIS 95 2HB HIS 95 14.092 -10.103 8.736 701 2HB HIS 95 1HB HIS 95 14.730 -8.755 9.657 702 HD1 HIS 95 1HD HIS 95 12.932 -11.109 10.760 703 HD2 HIS 95 2HD HIS 95 11.623 -7.271 9.809 704 HE1 HIS 95 1HE HIS 95 10.843 -10.745 12.118 705 HE2 HIS 95 2HE HIS 95 10.080 -8.413 11.554 706 H GLY 96 H GLY 96 13.927 -9.839 5.940 707 1HA GLY 96 2HA GLY 96 16.822 -9.801 5.878 708 2HA GLY 96 1HA GLY 96 15.768 -10.892 4.988 709 H CYS 97 H CYS 97 14.173 -9.121 3.620 710 HA CYS 97 HA CYS 97 15.948 -8.389 1.548 711 1HB CYS 97 2HB CYS 97 13.001 -7.792 1.782 712 2HB CYS 97 1HB CYS 97 13.972 -7.735 0.315 713 H GLU 98 H GLU 98 14.009 -6.487 3.902 714 HA GLU 98 HA GLU 98 14.848 -3.947 3.153 715 1HB GLU 98 2HB GLU 98 13.211 -4.199 4.879 716 2HB GLU 98 1HB GLU 98 14.313 -5.124 5.881 717 1HG GLU 98 2HG GLU 98 14.226 -3.047 6.904 718 2HG GLU 98 1HG GLU 98 15.725 -3.000 5.983 719 H LYS 99 H LYS 99 16.590 -6.367 5.111 720 HA LYS 99 HA LYS 99 18.782 -4.620 5.655 721 1HB LYS 99 2HB LYS 99 18.279 -6.508 7.119 722 2HB LYS 99 1HB LYS 99 18.586 -7.633 5.803 723 1HG LYS 99 2HG LYS 99 20.489 -7.617 7.237 724 2HG LYS 99 1HG LYS 99 20.923 -6.817 5.726 725 1HD LYS 99 2HD LYS 99 20.490 -4.628 6.836 726 2HD LYS 99 1HD LYS 99 20.242 -5.497 8.351 727 1HE LYS 99 2HE LYS 99 22.483 -4.701 8.358 728 2HE LYS 99 1HE LYS 99 22.549 -6.439 8.082 729 1HZ LYS 99 1HZ LYS 99 22.870 -6.034 5.727 730 2HZ LYS 99 2HZ LYS 99 24.055 -5.216 6.619 731 3HZ LYS 99 3HZ LYS 99 22.751 -4.360 5.969 732 H SER 100 H SER 100 18.151 -7.122 3.233 733 HA SER 100 HA SER 100 20.863 -6.837 2.188 734 1HB SER 100 2HB SER 100 18.708 -8.763 1.303 735 2HB SER 100 1HB SER 100 20.433 -8.858 0.957 736 HG SER 100 HG SER 100 19.073 -9.302 3.387 737 H ALA 101 H ALA 101 18.351 -4.991 1.781 738 HA ALA 101 HA ALA 101 17.822 -4.930 -0.978 739 1HB ALA 101 1HB ALA 101 17.655 -2.874 1.202 740 2HB ALA 101 2HB ALA 101 16.347 -3.653 0.303 741 3HB ALA 101 3HB ALA 101 17.352 -2.433 -0.479 742 HA PRO 102 HA PRO 102 21.497 -3.444 -2.912 743 1HB PRO 102 2HB PRO 102 19.756 -1.468 -4.303 744 2HB PRO 102 1HB PRO 102 20.864 -2.663 -4.984 745 1HG PRO 102 2HG PRO 102 18.239 -3.053 -5.088 746 2HG PRO 102 1HG PRO 102 19.341 -4.402 -4.748 747 1HD PRO 102 2HD PRO 102 17.616 -2.840 -2.868 748 2HD PRO 102 1HD PRO 102 17.958 -4.582 -2.900 749 HA PRO 103 HA PRO 103 22.883 0.294 -0.918 750 1HB PRO 103 2HB PRO 103 24.389 0.979 -3.358 751 2HB PRO 103 1HB PRO 103 24.983 0.621 -1.735 752 1HG PRO 103 2HG PRO 103 25.316 -1.108 -3.748 753 2HG PRO 103 1HG PRO 103 24.984 -1.665 -2.097 754 1HD PRO 103 2HD PRO 103 23.112 -1.425 -4.427 755 2HD PRO 103 1HD PRO 103 23.265 -2.736 -3.236 756 H ASN 104 H ASN 104 20.422 0.473 -2.547 757 HA ASN 104 HA ASN 104 20.517 3.357 -3.139 758 1HB ASN 104 2HB ASN 104 18.748 1.246 -4.413 759 2HB ASN 104 1HB ASN 104 18.568 2.976 -4.658 760 1HD2 ASN 104 1HD2 ASN 104 18.908 2.969 -6.810 761 2HD2 ASN 104 2HD2 ASN 104 20.420 2.572 -7.552 762 H ASP 105 H ASP 105 19.754 4.177 -1.225 763 HA ASP 105 HA ASP 105 17.597 2.828 0.139 764 1HB ASP 105 2HB ASP 105 17.745 4.535 1.844 765 2HB ASP 105 1HB ASP 105 19.365 3.984 1.443 766 H ASP 106 H ASP 106 15.802 2.829 -1.020 767 HA ASP 106 HA ASP 106 14.967 5.245 -2.406 768 1HB ASP 106 2HB ASP 106 14.839 2.640 -3.130 769 2HB ASP 106 1HB ASP 106 13.233 2.845 -2.440 770 H LYS 107 H LYS 107 13.993 6.679 -1.230 771 HA LYS 107 HA LYS 107 13.323 6.746 1.311 772 1HB LYS 107 2HB LYS 107 13.074 8.502 -0.620 773 2HB LYS 107 1HB LYS 107 11.375 8.068 -0.529 774 1HG LYS 107 2HG LYS 107 12.959 8.990 1.847 775 2HG LYS 107 1HG LYS 107 12.089 10.091 0.782 776 1HD LYS 107 2HD LYS 107 10.009 8.788 1.286 777 2HD LYS 107 1HD LYS 107 10.938 7.889 2.490 778 1HE LYS 107 2HE LYS 107 9.766 9.660 3.603 779 2HE LYS 107 1HE LYS 107 11.486 10.050 3.590 780 1HZ LYS 107 1HZ LYS 107 10.894 11.351 1.461 781 2HZ LYS 107 2HZ LYS 107 10.502 12.028 2.963 782 3HZ LYS 107 3HZ LYS 107 9.297 11.274 2.037 783 H CYS 108 H CYS 108 10.412 6.596 -0.751 784 HA CYS 108 HA CYS 108 9.142 5.019 1.343 785 1HB CYS 108 2HB CYS 108 8.006 7.038 0.505 786 2HB CYS 108 1HB CYS 108 7.941 6.336 -1.103 787 H MET 109 H MET 109 10.772 4.338 -1.515 788 HA MET 109 HA MET 109 8.853 2.466 -2.540 789 1HB MET 109 2HB MET 109 10.771 4.057 -3.683 790 2HB MET 109 1HB MET 109 11.483 2.454 -3.787 791 1HG MET 109 2HG MET 109 8.722 3.111 -4.722 792 2HG MET 109 1HG MET 109 10.145 3.180 -5.751 793 1HE MET 109 1HE MET 109 11.862 0.732 -4.788 794 2HE MET 109 2HE MET 109 11.557 1.064 -6.493 795 3HE MET 109 3HE MET 109 11.288 -0.554 -5.848 796 H LYS 110 H LYS 110 11.435 2.379 -0.411 797 HA LYS 110 HA LYS 110 12.854 0.067 -1.067 798 1HB LYS 110 2HB LYS 110 13.419 -0.064 1.374 799 2HB LYS 110 1HB LYS 110 13.788 1.475 0.605 800 1HG LYS 110 2HG LYS 110 12.228 2.592 1.839 801 2HG LYS 110 1HG LYS 110 11.175 1.176 1.985 802 1HD LYS 110 2HD LYS 110 12.843 0.148 3.489 803 2HD LYS 110 1HD LYS 110 13.787 1.637 3.420 804 1HE LYS 110 2HE LYS 110 12.008 2.865 4.467 805 2HE LYS 110 1HE LYS 110 10.941 1.461 4.393 806 1HZ LYS 110 1HZ LYS 110 12.663 0.296 5.792 807 2HZ LYS 110 2HZ LYS 110 11.783 1.519 6.567 808 3HZ LYS 110 3HZ LYS 110 13.367 1.821 6.056 809 H THR 111 H THR 111 10.131 0.472 1.078 810 HA THR 111 HA THR 111 9.731 -2.126 1.870 811 HB THR 111 HB THR 111 8.642 -0.196 2.846 812 HG1 THR 111 1HG THR 111 7.023 -2.331 1.906 813 1HG2 THR 111 1HG2 THR 111 6.814 -0.149 0.412 814 2HG2 THR 111 2HG2 THR 111 8.108 1.008 0.743 815 3HG2 THR 111 3HG2 THR 111 6.732 0.895 1.837 816 H ILE 112 H ILE 112 9.417 -0.948 -1.339 817 HA ILE 112 HA ILE 112 7.441 -2.980 -2.014 818 HB ILE 112 HB ILE 112 8.586 -0.691 -3.473 819 1HG1 ILE 112 2HG1 ILE 112 6.236 -0.363 -4.144 820 2HG1 ILE 112 1HG1 ILE 112 5.810 -1.836 -3.280 821 1HG2 ILE 112 1HG2 ILE 112 7.480 -3.121 -4.821 822 2HG2 ILE 112 2HG2 ILE 112 9.093 -2.442 -5.015 823 3HG2 ILE 112 3HG2 ILE 112 7.688 -1.562 -5.614 824 1HD1 ILE 112 1HD1 ILE 112 7.073 0.535 -1.952 825 2HD1 ILE 112 2HD1 ILE 112 6.298 -0.854 -1.191 826 3HD1 ILE 112 3HD1 ILE 112 5.330 0.315 -2.092 827 H ASP 113 H ASP 113 10.832 -2.093 -2.429 828 HA ASP 113 HA ASP 113 11.649 -4.187 -4.084 829 1HB ASP 113 2HB ASP 113 13.012 -2.152 -3.169 830 2HB ASP 113 1HB ASP 113 13.396 -3.215 -1.827 831 H VAL 114 H VAL 114 11.092 -4.094 -0.580 832 HA VAL 114 HA VAL 114 12.065 -6.762 -0.225 833 HB VAL 114 HB VAL 114 11.552 -6.577 2.048 834 1HG1 VAL 114 1HG1 VAL 114 13.369 -5.114 1.099 835 2HG1 VAL 114 2HG1 VAL 114 12.751 -4.641 2.680 836 3HG1 VAL 114 3HG1 VAL 114 12.235 -3.772 1.234 837 1HG2 VAL 114 1HG2 VAL 114 10.029 -4.099 1.561 838 2HG2 VAL 114 2HG2 VAL 114 10.131 -5.006 3.057 839 3HG2 VAL 114 3HG2 VAL 114 9.239 -5.657 1.677 840 H ALA 115 H ALA 115 8.935 -5.196 -0.543 841 HA ALA 115 HA ALA 115 7.259 -7.383 -0.080 842 1HB ALA 115 1HB ALA 115 6.480 -5.081 -0.320 843 2HB ALA 115 2HB ALA 115 5.578 -6.194 -1.339 844 3HB ALA 115 3HB ALA 115 6.811 -5.149 -2.045 845 H MET 116 H MET 116 8.573 -6.216 -3.186 846 HA MET 116 HA MET 116 7.532 -8.458 -4.571 847 1HB MET 116 2HB MET 116 9.008 -7.770 -6.489 848 2HB MET 116 1HB MET 116 7.835 -6.588 -5.951 849 1HG MET 116 2HG MET 116 9.611 -5.349 -4.808 850 2HG MET 116 1HG MET 116 10.793 -6.544 -5.365 851 1HE MET 116 1HE MET 116 12.210 -4.503 -6.339 852 2HE MET 116 2HE MET 116 10.971 -3.350 -5.843 853 3HE MET 116 3HE MET 116 11.574 -3.339 -7.501 854 H CYS 117 H CYS 117 10.238 -8.019 -2.626 855 HA CYS 117 HA CYS 117 11.819 -10.204 -3.561 856 1HB CYS 117 2HB CYS 117 12.764 -8.350 -2.262 857 2HB CYS 117 1HB CYS 117 11.726 -8.761 -0.903 858 H PHE 118 H PHE 118 8.988 -9.812 -1.658 859 HA PHE 118 HA PHE 118 9.221 -12.349 -0.333 860 1HB PHE 118 2HB PHE 118 8.072 -10.674 0.914 861 2HB PHE 118 1HB PHE 118 6.982 -10.318 -0.419 862 HD1 PHE 118 1HD PHE 118 4.841 -11.185 -0.314 863 HD2 PHE 118 2HD PHE 118 7.968 -13.184 1.782 864 HE1 PHE 118 1HE PHE 118 3.210 -12.769 0.610 865 HE2 PHE 118 2HE PHE 118 6.334 -14.765 2.707 866 HZ PHE 118 HZ PHE 118 3.955 -14.560 2.122 867 H LYS 119 H LYS 119 7.191 -11.044 -3.029 868 HA LYS 119 HA LYS 119 6.110 -13.673 -3.440 869 1HB LYS 119 2HB LYS 119 6.101 -11.532 -5.595 870 2HB LYS 119 1HB LYS 119 5.122 -12.971 -5.497 871 1HG LYS 119 2HG LYS 119 3.666 -11.317 -4.864 872 2HG LYS 119 1HG LYS 119 4.210 -11.969 -3.319 873 1HD LYS 119 2HD LYS 119 4.149 -9.504 -3.345 874 2HD LYS 119 1HD LYS 119 5.770 -10.141 -3.058 875 1HE LYS 119 2HE LYS 119 5.828 -8.277 -4.630 876 2HE LYS 119 1HE LYS 119 6.341 -9.782 -5.401 877 1HZ LYS 119 1HZ LYS 119 3.558 -8.755 -5.590 878 2HZ LYS 119 2HZ LYS 119 4.300 -9.943 -6.552 879 3HZ LYS 119 3HZ LYS 119 4.762 -8.320 -6.702 880 H LYS 120 H LYS 120 9.100 -12.169 -4.206 881 HA LYS 120 HA LYS 120 9.895 -13.844 -6.349 882 1HB LYS 120 2HB LYS 120 11.065 -11.809 -4.873 883 2HB LYS 120 1HB LYS 120 11.998 -13.221 -4.402 884 1HG LYS 120 2HG LYS 120 13.228 -12.690 -6.199 885 2HG LYS 120 1HG LYS 120 11.959 -13.540 -7.080 886 1HD LYS 120 2HD LYS 120 12.267 -10.571 -6.676 887 2HD LYS 120 1HD LYS 120 12.315 -11.468 -8.193 888 1HE LYS 120 2HE LYS 120 9.926 -12.099 -7.805 889 2HE LYS 120 1HE LYS 120 9.924 -11.017 -6.400 890 1HZ LYS 120 1HZ LYS 120 10.448 -10.215 -9.222 891 2HZ LYS 120 2HZ LYS 120 10.476 -9.177 -7.887 892 3HZ LYS 120 3HZ LYS 120 9.023 -9.920 -8.350 893 H GLU 121 H GLU 121 10.554 -14.038 -2.877 894 HA GLU 121 HA GLU 121 11.492 -16.656 -2.795 895 1HB GLU 121 2HB GLU 121 9.997 -15.120 -0.666 896 2HB GLU 121 1HB GLU 121 10.834 -16.640 -0.390 897 1HG GLU 121 2HG GLU 121 12.024 -13.967 -1.079 898 2HG GLU 121 1HG GLU 121 12.277 -14.947 0.359 899 H ILE 122 H ILE 122 8.105 -15.558 -2.170 900 HA ILE 122 HA ILE 122 6.987 -18.031 -1.779 901 HB ILE 122 HB ILE 122 6.016 -15.427 -2.029 902 1HG1 ILE 122 2HG1 ILE 122 5.497 -17.165 -0.342 903 2HG1 ILE 122 1HG1 ILE 122 4.076 -16.331 -0.959 904 1HG2 ILE 122 1HG2 ILE 122 4.412 -17.217 -3.850 905 2HG2 ILE 122 2HG2 ILE 122 5.491 -15.940 -4.417 906 3HG2 ILE 122 3HG2 ILE 122 4.084 -15.534 -3.433 907 1HD1 ILE 122 1HD1 ILE 122 3.603 -18.245 -2.414 908 2HD1 ILE 122 2HD1 ILE 122 3.647 -18.699 -0.709 909 3HD1 ILE 122 3HD1 ILE 122 5.015 -19.075 -1.759 910 H HIS 123 H HIS 123 7.847 -16.516 -4.884 911 HA HIS 123 HA HIS 123 6.519 -18.471 -6.471 912 1HB HIS 123 2HB HIS 123 8.680 -16.469 -7.064 913 2HB HIS 123 1HB HIS 123 8.164 -17.639 -8.274 914 HD1 HIS 123 1HD HIS 123 7.569 -15.171 -9.429 915 HD2 HIS 123 2HD HIS 123 5.092 -16.569 -6.389 916 HE1 HIS 123 1HE HIS 123 5.420 -13.881 -9.655 917 HE2 HIS 123 2HE HIS 123 3.880 -14.863 -7.917 918 H LYS 124 H LYS 124 9.800 -18.321 -5.098 919 HA LYS 124 HA LYS 124 10.689 -20.707 -6.383 920 1HB LYS 124 2HB LYS 124 12.141 -18.922 -5.326 921 2HB LYS 124 1HB LYS 124 11.658 -19.559 -3.761 922 1HG LYS 124 2HG LYS 124 13.803 -20.444 -4.338 923 2HG LYS 124 1HG LYS 124 12.614 -21.749 -4.413 924 1HD LYS 124 2HD LYS 124 12.520 -21.611 -6.801 925 2HD LYS 124 1HD LYS 124 13.516 -20.156 -6.802 926 1HE LYS 124 2HE LYS 124 15.365 -21.499 -5.818 927 2HE LYS 124 1HE LYS 124 14.360 -22.938 -5.999 928 1HZ LYS 124 1HZ LYS 124 15.290 -21.169 -8.196 929 2HZ LYS 124 2HZ LYS 124 14.282 -22.518 -8.391 930 3HZ LYS 124 3HZ LYS 124 15.877 -22.724 -7.853 931 H LEU 125 H LEU 125 9.062 -19.931 -3.411 932 HA LEU 125 HA LEU 125 9.118 -22.554 -2.282 933 1HB LEU 125 2HB LEU 125 7.320 -20.205 -1.664 934 2HB LEU 125 1HB LEU 125 7.485 -21.645 -0.679 935 HG LEU 125 HG LEU 125 9.719 -19.695 -1.238 936 1HD1 LEU 125 1HD1 LEU 125 7.885 -19.970 1.134 937 2HD1 LEU 125 2HD1 LEU 125 8.059 -18.578 0.065 938 3HD1 LEU 125 3HD1 LEU 125 9.382 -19.038 1.136 939 1HD2 LEU 125 1HD2 LEU 125 10.500 -21.950 -0.757 940 2HD2 LEU 125 2HD2 LEU 125 9.506 -21.997 0.698 941 3HD2 LEU 125 3HD2 LEU 125 10.855 -20.866 0.589 942 H ASN 126 H ASN 126 7.623 -21.683 -5.017 943 HA ASN 126 HA ASN 126 5.017 -22.816 -4.389 944 1HB ASN 126 2HB ASN 126 5.243 -20.739 -5.807 945 2HB ASN 126 1HB ASN 126 5.970 -21.758 -7.046 946 1HD2 ASN 126 1HD2 ASN 126 3.342 -22.701 -4.913 947 2HD2 ASN 126 2HD2 ASN 126 2.154 -22.851 -6.163 948 H TRP 127 H TRP 127 4.512 -24.816 -4.778 949 HA TRP 127 HA TRP 127 6.245 -26.439 -6.505 950 1HB TRP 127 2HB TRP 127 5.273 -28.392 -5.226 951 2HB TRP 127 1HB TRP 127 6.287 -27.313 -4.277 952 HD1 TRP 127 HD TRP 127 4.827 -25.445 -2.749 953 HE1 TRP 127 1HE TRP 127 2.662 -25.838 -1.414 954 HE3 TRP 127 3HE TRP 127 3.221 -29.708 -5.064 955 HZ2 TRP 127 2HZ TRP 127 0.560 -27.722 -1.345 956 HZ3 TRP 127 3HZ TRP 127 1.125 -30.746 -4.300 957 HH2 TRP 127 HH TRP 127 -0.177 -29.773 -2.477 958 H VAL 128 H VAL 128 4.802 -28.487 -7.261 959 HA VAL 128 HA VAL 128 2.611 -27.251 -8.747 960 HB VAL 128 HB VAL 128 4.222 -28.278 -10.186 961 1HG1 VAL 128 1HG1 VAL 128 5.279 -29.805 -8.625 962 2HG1 VAL 128 2HG1 VAL 128 4.781 -30.670 -10.080 963 3HG1 VAL 128 3HG1 VAL 128 3.834 -30.814 -8.600 964 1HG2 VAL 128 1HG2 VAL 128 1.778 -30.037 -9.986 965 2HG2 VAL 128 2HG2 VAL 128 2.845 -29.916 -11.386 966 3HG2 VAL 128 3HG2 VAL 128 1.900 -28.516 -10.872 967 HA PRO 129 HA PRO 129 -0.002 -29.637 -5.949 968 1HB PRO 129 2HB PRO 129 -2.103 -27.779 -6.601 969 2HB PRO 129 1HB PRO 129 -1.226 -27.945 -5.079 970 1HG PRO 129 2HG PRO 129 -1.024 -25.769 -6.739 971 2HG PRO 129 1HG PRO 129 0.236 -26.271 -5.598 972 1HD PRO 129 2HD PRO 129 0.050 -26.750 -8.548 973 2HD PRO 129 1HD PRO 129 1.467 -26.329 -7.560 974 H ASN 130 H ASN 130 -1.024 -31.396 -6.629 975 HA ASN 130 HA ASN 130 -2.195 -31.446 -9.310 976 1HB ASN 130 2HB ASN 130 -0.611 -33.250 -8.525 977 2HB ASN 130 1HB ASN 130 -1.834 -33.739 -7.360 978 1HD2 ASN 130 1HD2 ASN 130 -3.459 -35.043 -8.006 979 2HD2 ASN 130 2HD2 ASN 130 -3.665 -35.612 -9.628 980 H MET 131 H MET 131 -3.130 -30.504 -6.424 981 HA MET 131 HA MET 131 -5.934 -31.316 -6.817 982 1HB MET 131 2HB MET 131 -6.261 -31.425 -4.431 983 2HB MET 131 1HB MET 131 -4.886 -32.448 -4.828 984 1HG MET 131 2HG MET 131 -3.343 -30.785 -4.051 985 2HG MET 131 1HG MET 131 -4.644 -29.618 -3.829 986 1HE MET 131 1HE MET 131 -3.868 -33.310 -1.179 987 2HE MET 131 2HE MET 131 -2.793 -32.739 -2.456 988 3HE MET 131 3HE MET 131 -4.349 -33.462 -2.869 989 H ASP 132 H ASP 132 -7.491 -29.699 -6.134 990 HA ASP 132 HA ASP 132 -6.419 -27.188 -5.149 991 1HB ASP 132 2HB ASP 132 -7.506 -25.775 -6.768 992 2HB ASP 132 1HB ASP 132 -6.468 -26.907 -7.616 993 H LEU 133 H LEU 133 -7.393 -27.361 -3.236 994 HA LEU 133 HA LEU 133 -10.247 -27.983 -3.163 995 1HB LEU 133 2HB LEU 133 -8.117 -27.844 -1.052 996 2HB LEU 133 1HB LEU 133 -9.813 -27.832 -0.617 997 HG LEU 133 HG LEU 133 -8.976 -30.068 -0.390 998 1HD1 LEU 133 1HD1 LEU 133 -11.245 -29.870 -1.220 999 2HD1 LEU 133 2HD1 LEU 133 -10.454 -31.288 -1.908 1000 3HD1 LEU 133 3HD1 LEU 133 -10.652 -29.831 -2.881 1001 1HD2 LEU 133 1HD2 LEU 133 -8.096 -29.862 -3.265 1002 2HD2 LEU 133 2HD2 LEU 133 -8.039 -31.319 -2.275 1003 3HD2 LEU 133 3HD2 LEU 133 -7.044 -29.927 -1.851 1004 H VAL 134 H VAL 134 -10.926 -26.028 -4.118 1005 HA VAL 134 HA VAL 134 -10.528 -23.585 -2.615 1006 HB VAL 134 HB VAL 134 -12.130 -22.612 -4.339 1007 1HG1 VAL 134 1HG1 VAL 134 -9.571 -23.897 -5.285 1008 2HG1 VAL 134 2HG1 VAL 134 -9.724 -22.328 -4.491 1009 3HG1 VAL 134 3HG1 VAL 134 -10.412 -22.576 -6.097 1010 1HG2 VAL 134 1HG2 VAL 134 -12.435 -23.903 -6.403 1011 2HG2 VAL 134 2HG2 VAL 134 -13.220 -24.683 -5.030 1012 3HG2 VAL 134 3HG2 VAL 134 -11.685 -25.302 -5.637 1013 H ILE 135 H ILE 135 -11.479 -24.001 -0.648 1014 HA ILE 135 HA ILE 135 -14.324 -24.650 -0.652 1015 HB ILE 135 HB ILE 135 -13.124 -26.171 0.708 1016 1HG1 ILE 135 2HG1 ILE 135 -15.213 -24.915 1.702 1017 2HG1 ILE 135 1HG1 ILE 135 -14.297 -26.046 2.692 1018 1HG2 ILE 135 1HG2 ILE 135 -11.044 -24.961 0.908 1019 2HG2 ILE 135 2HG2 ILE 135 -11.587 -25.507 2.494 1020 3HG2 ILE 135 3HG2 ILE 135 -11.789 -23.818 2.027 1021 1HD1 ILE 135 1HD1 ILE 135 -13.576 -23.162 2.725 1022 2HD1 ILE 135 2HD1 ILE 135 -13.398 -24.385 3.991 1023 3HD1 ILE 135 3HD1 ILE 135 -14.991 -23.716 3.626 1024 H GLY 136 H GLY 136 -15.760 -23.168 -0.230 1025 1HA GLY 136 2HA GLY 136 -15.917 -21.138 1.510 1026 2HA GLY 136 1HA GLY 136 -14.888 -20.445 0.260 1027 H GLU 137 H GLU 137 -17.425 -22.772 -0.276 1028 HA GLU 137 HA GLU 137 -18.571 -21.144 -2.341 1029 1HB GLU 137 2HB GLU 137 -18.421 -23.519 -2.674 1030 2HB GLU 137 1HB GLU 137 -19.286 -23.838 -1.179 1031 1HG GLU 137 2HG GLU 137 -21.264 -22.671 -2.234 1032 2HG GLU 137 1HG GLU 137 -20.366 -22.742 -3.754 1033 H VAL 138 H VAL 138 -19.788 -19.458 -1.752 1034 HA VAL 138 HA VAL 138 -21.540 -19.617 0.556 1035 HB VAL 138 HB VAL 138 -21.213 -17.375 -1.451 1036 1HG1 VAL 138 1HG1 VAL 138 -22.312 -15.998 0.262 1037 2HG1 VAL 138 2HG1 VAL 138 -22.553 -17.436 1.253 1038 3HG1 VAL 138 3HG1 VAL 138 -23.358 -17.296 -0.311 1039 1HG2 VAL 138 1HG2 VAL 138 -19.995 -17.727 1.289 1040 2HG2 VAL 138 2HG2 VAL 138 -19.868 -16.279 0.289 1041 3HG2 VAL 138 3HG2 VAL 138 -19.136 -17.791 -0.251 1042 H LEU 139 H LEU 139 -23.575 -20.274 0.451 1043 HA LEU 139 HA LEU 139 -24.727 -21.028 -2.064 1044 1HB LEU 139 2HB LEU 139 -25.079 -22.334 -0.008 1045 2HB LEU 139 1HB LEU 139 -25.943 -20.983 0.699 1046 HG LEU 139 HG LEU 139 -27.691 -21.197 -1.010 1047 1HD1 LEU 139 1HD1 LEU 139 -26.088 -23.581 -1.933 1048 2HD1 LEU 139 2HD1 LEU 139 -26.360 -22.088 -2.833 1049 3HD1 LEU 139 3HD1 LEU 139 -27.712 -23.165 -2.482 1050 1HD2 LEU 139 1HD2 LEU 139 -28.644 -23.305 -0.216 1051 2HD2 LEU 139 2HD2 LEU 139 -27.924 -22.386 1.107 1052 3HD2 LEU 139 3HD2 LEU 139 -27.071 -23.773 0.430 1053 H ALA 140 H ALA 140 -25.362 -19.436 -3.377 1054 HA ALA 140 HA ALA 140 -26.980 -17.262 -2.215 1055 1HB ALA 140 1HB ALA 140 -25.273 -17.181 -4.704 1056 2HB ALA 140 2HB ALA 140 -24.857 -16.472 -3.144 1057 3HB ALA 140 3HB ALA 140 -26.230 -15.848 -4.057 1058 H GLU 141 H GLU 141 -28.848 -18.621 -2.422 1059 HA GLU 141 HA GLU 141 -29.733 -19.099 -5.171 1060 1HB GLU 141 2HB GLU 141 -31.512 -20.459 -4.174 1061 2HB GLU 141 1HB GLU 141 -29.930 -20.980 -3.614 1062 1HG GLU 141 2HG GLU 141 -30.284 -19.734 -1.524 1063 2HG GLU 141 1HG GLU 141 -31.894 -19.288 -2.085 1064 H VAL 142 H VAL 142 -30.532 -17.300 -2.268 1065 HA VAL 142 HA VAL 142 -32.340 -15.631 -3.864 1066 HB VAL 142 HB VAL 142 -32.902 -16.371 -0.985 1067 1HG1 VAL 142 1HG1 VAL 142 -35.094 -15.391 -1.429 1068 2HG1 VAL 142 2HG1 VAL 142 -34.585 -14.997 -3.071 1069 3HG1 VAL 142 3HG1 VAL 142 -33.797 -14.225 -1.694 1070 1HG2 VAL 142 1HG2 VAL 142 -33.153 -18.370 -2.347 1071 2HG2 VAL 142 2HG2 VAL 142 -34.188 -17.490 -3.472 1072 3HG2 VAL 142 3HG2 VAL 142 -34.727 -17.776 -1.817 Start of MODEL 3 1 1H SER 1 1HT SER 1 -6.539 -16.844 -2.587 2 2H SER 1 2HT SER 1 -5.362 -17.719 -1.741 3 3H SER 1 3HT SER 1 -4.994 -16.183 -2.354 4 HA SER 1 HA SER 1 -7.001 -16.750 -0.257 5 1HB SER 1 2HB SER 1 -4.244 -15.513 -0.022 6 2HB SER 1 1HB SER 1 -5.388 -15.763 1.298 7 HG SER 1 HG SER 1 -5.172 -17.977 1.039 8 HA PRO 2 HA PRO 2 -8.201 -12.775 -2.170 9 1HB PRO 2 2HB PRO 2 -10.718 -12.785 -1.086 10 2HB PRO 2 1HB PRO 2 -10.293 -13.592 -2.599 11 1HG PRO 2 2HG PRO 2 -10.610 -14.744 0.139 12 2HG PRO 2 1HG PRO 2 -11.115 -15.411 -1.424 13 1HD PRO 2 2HD PRO 2 -8.896 -16.254 -0.129 14 2HD PRO 2 1HD PRO 2 -9.008 -16.219 -1.900 15 H GLU 3 H GLU 3 -8.292 -13.848 1.139 16 HA GLU 3 HA GLU 3 -8.944 -11.613 2.570 17 1HB GLU 3 2HB GLU 3 -6.728 -13.580 3.152 18 2HB GLU 3 1HB GLU 3 -7.320 -12.399 4.308 19 1HG GLU 3 2HG GLU 3 -8.329 -14.473 4.828 20 2HG GLU 3 1HG GLU 3 -9.574 -13.454 4.111 21 H ILE 4 H ILE 4 -5.518 -12.393 1.812 22 HA ILE 4 HA ILE 4 -4.714 -9.780 2.546 23 HB ILE 4 HB ILE 4 -3.296 -11.774 2.889 24 1HG1 ILE 4 2HG1 ILE 4 -1.157 -10.770 2.119 25 2HG1 ILE 4 1HG1 ILE 4 -2.073 -9.631 1.138 26 1HG2 ILE 4 1HG2 ILE 4 -2.984 -11.723 -0.107 27 2HG2 ILE 4 2HG2 ILE 4 -3.796 -12.969 0.842 28 3HG2 ILE 4 3HG2 ILE 4 -2.056 -12.730 1.004 29 1HD1 ILE 4 1HD1 ILE 4 -2.184 -9.858 4.137 30 2HD1 ILE 4 2HD1 ILE 4 -3.086 -8.707 3.152 31 3HD1 ILE 4 3HD1 ILE 4 -1.325 -8.622 3.217 32 H MET 5 H MET 5 -5.897 -11.119 -0.327 33 HA MET 5 HA MET 5 -4.519 -9.426 -2.175 34 1HB MET 5 2HB MET 5 -6.843 -11.313 -2.335 35 2HB MET 5 1HB MET 5 -6.453 -10.262 -3.694 36 1HG MET 5 2HG MET 5 -4.253 -11.248 -3.862 37 2HG MET 5 1HG MET 5 -4.561 -12.234 -2.434 38 1HE MET 5 1HE MET 5 -5.690 -11.503 -6.140 39 2HE MET 5 2HE MET 5 -7.194 -11.416 -5.222 40 3HE MET 5 3HE MET 5 -6.931 -12.735 -6.364 41 H LYS 6 H LYS 6 -7.657 -9.419 -0.566 42 HA LYS 6 HA LYS 6 -8.551 -7.058 -1.953 43 1HB LYS 6 2HB LYS 6 -10.075 -8.890 -1.174 44 2HB LYS 6 1HB LYS 6 -9.740 -8.403 0.479 45 1HG LYS 6 2HG LYS 6 -10.759 -6.251 0.096 46 2HG LYS 6 1HG LYS 6 -11.005 -6.643 -1.609 47 1HD LYS 6 2HD LYS 6 -12.478 -8.492 -0.968 48 2HD LYS 6 1HD LYS 6 -12.221 -8.106 0.735 49 1HE LYS 6 2HE LYS 6 -13.218 -5.896 0.373 50 2HE LYS 6 1HE LYS 6 -13.500 -6.305 -1.318 51 1HZ LYS 6 1HZ LYS 6 -14.632 -7.840 0.955 52 2HZ LYS 6 2HZ LYS 6 -15.035 -7.986 -0.690 53 3HZ LYS 6 3HZ LYS 6 -15.456 -6.585 0.166 54 H ASN 7 H ASN 7 -7.281 -5.357 -1.517 55 HA ASN 7 HA ASN 7 -5.987 -4.814 0.910 56 1HB ASN 7 2HB ASN 7 -5.243 -3.897 -1.235 57 2HB ASN 7 1HB ASN 7 -6.717 -2.942 -1.354 58 1HD2 ASN 7 1HD2 ASN 7 -5.505 -1.046 -1.513 59 2HD2 ASN 7 2HD2 ASN 7 -4.717 -0.350 -0.132 60 H LEU 8 H LEU 8 -6.720 -4.036 2.771 61 HA LEU 8 HA LEU 8 -9.416 -3.447 3.221 62 1HB LEU 8 2HB LEU 8 -6.979 -2.832 4.883 63 2HB LEU 8 1HB LEU 8 -8.613 -2.512 5.429 64 HG LEU 8 HG LEU 8 -8.879 -5.111 4.817 65 1HD1 LEU 8 1HD1 LEU 8 -6.074 -5.010 5.890 66 2HD1 LEU 8 2HD1 LEU 8 -6.415 -5.142 4.163 67 3HD1 LEU 8 3HD1 LEU 8 -6.973 -6.397 5.267 68 1HD2 LEU 8 1HD2 LEU 8 -9.440 -4.062 6.942 69 2HD2 LEU 8 2HD2 LEU 8 -7.733 -4.019 7.384 70 3HD2 LEU 8 3HD2 LEU 8 -8.558 -5.568 7.197 71 H SER 9 H SER 9 -6.681 -1.322 2.551 72 HA SER 9 HA SER 9 -7.905 1.124 3.152 73 1HB SER 9 2HB SER 9 -5.882 0.598 0.964 74 2HB SER 9 1HB SER 9 -6.200 2.141 1.758 75 HG SER 9 HG SER 9 -4.382 0.549 2.471 76 H ASN 10 H ASN 10 -8.079 -0.924 0.312 77 HA ASN 10 HA ASN 10 -9.475 0.980 -1.311 78 1HB ASN 10 2HB ASN 10 -8.154 -0.788 -2.355 79 2HB ASN 10 1HB ASN 10 -9.149 -2.018 -1.585 80 1HD2 ASN 10 1HD2 ASN 10 -9.014 0.413 -4.078 81 2HD2 ASN 10 2HD2 ASN 10 -10.410 -0.122 -4.946 82 H ASN 11 H ASN 11 -10.333 -1.593 0.902 83 HA ASN 11 HA ASN 11 -13.099 -1.676 0.278 84 1HB ASN 11 2HB ASN 11 -11.730 -2.395 2.883 85 2HB ASN 11 1HB ASN 11 -13.368 -2.848 2.421 86 1HD2 ASN 11 1HD2 ASN 11 -11.246 -4.618 3.133 87 2HD2 ASN 11 2HD2 ASN 11 -10.920 -5.603 1.745 88 H PHE 12 H PHE 12 -11.268 -0.027 2.848 89 HA PHE 12 HA PHE 12 -13.311 1.595 3.813 90 1HB PHE 12 2HB PHE 12 -10.359 2.125 3.534 91 2HB PHE 12 1HB PHE 12 -11.453 3.283 4.284 92 HD1 PHE 12 1HD PHE 12 -12.998 2.246 6.162 93 HD2 PHE 12 2HD PHE 12 -9.278 0.622 4.886 94 HE1 PHE 12 1HE PHE 12 -12.776 1.075 8.316 95 HE2 PHE 12 2HE PHE 12 -9.047 -0.554 7.032 96 HZ PHE 12 HZ PHE 12 -10.801 -0.330 8.752 97 H GLY 13 H GLY 13 -10.811 3.200 1.828 98 1HA GLY 13 2HA GLY 13 -11.018 4.916 0.326 99 2HA GLY 13 1HA GLY 13 -12.291 3.928 -0.371 100 H LYS 14 H LYS 14 -12.356 5.453 2.829 101 HA LYS 14 HA LYS 14 -14.897 6.578 2.497 102 1HB LYS 14 2HB LYS 14 -13.939 6.184 4.704 103 2HB LYS 14 1HB LYS 14 -12.659 7.347 4.382 104 1HG LYS 14 2HG LYS 14 -14.446 9.099 4.158 105 2HG LYS 14 1HG LYS 14 -15.591 7.897 4.757 106 1HD LYS 14 2HD LYS 14 -14.274 7.671 6.808 107 2HD LYS 14 1HD LYS 14 -13.126 8.869 6.201 108 1HE LYS 14 2HE LYS 14 -14.973 10.514 6.093 109 2HE LYS 14 1HE LYS 14 -16.045 9.317 6.816 110 1HZ LYS 14 1HZ LYS 14 -14.488 9.255 8.732 111 2HZ LYS 14 2HZ LYS 14 -15.268 10.745 8.526 112 3HZ LYS 14 3HZ LYS 14 -13.649 10.563 8.049 113 H ALA 15 H ALA 15 -11.745 8.226 2.603 114 HA ALA 15 HA ALA 15 -12.673 10.121 0.592 115 1HB ALA 15 1HB ALA 15 -11.895 12.037 1.925 116 2HB ALA 15 2HB ALA 15 -11.611 10.959 3.292 117 3HB ALA 15 3HB ALA 15 -13.251 11.205 2.687 118 H MET 16 H MET 16 -11.191 9.549 -0.903 119 HA MET 16 HA MET 16 -8.507 8.889 -0.198 120 1HB MET 16 2HB MET 16 -9.636 7.899 -2.152 121 2HB MET 16 1HB MET 16 -9.660 9.479 -2.926 122 1HG MET 16 2HG MET 16 -7.859 8.161 -3.819 123 2HG MET 16 1HG MET 16 -7.205 9.513 -2.895 124 1HE MET 16 1HE MET 16 -4.531 6.748 -2.241 125 2HE MET 16 2HE MET 16 -4.811 8.418 -2.734 126 3HE MET 16 3HE MET 16 -5.396 7.091 -3.741 127 H ASP 17 H ASP 17 -10.173 11.777 -0.919 128 HA ASP 17 HA ASP 17 -8.300 13.358 -2.194 129 1HB ASP 17 2HB ASP 17 -10.618 14.046 -1.880 130 2HB ASP 17 1HB ASP 17 -10.341 14.216 -0.149 131 H GLN 18 H GLN 18 -8.390 12.425 1.158 132 HA GLN 18 HA GLN 18 -6.529 14.556 1.829 133 1HB GLN 18 2HB GLN 18 -7.965 12.527 3.513 134 2HB GLN 18 1HB GLN 18 -6.662 13.516 4.164 135 1HG GLN 18 2HG GLN 18 -8.093 15.466 3.097 136 2HG GLN 18 1HG GLN 18 -9.394 14.300 3.307 137 1HE2 GLN 18 1HE2 GLN 18 -8.883 16.863 4.630 138 2HE2 GLN 18 2HE2 GLN 18 -8.865 16.514 6.326 139 H CYS 19 H CYS 19 -6.477 11.186 1.068 140 HA CYS 19 HA CYS 19 -3.757 10.826 1.911 141 1HB CYS 19 2HB CYS 19 -5.077 8.824 1.614 142 2HB CYS 19 1HB CYS 19 -5.449 9.254 -0.047 143 H LYS 20 H LYS 20 -5.441 11.909 -0.968 144 HA LYS 20 HA LYS 20 -3.368 11.872 -2.842 145 1HB LYS 20 2HB LYS 20 -5.703 12.239 -3.440 146 2HB LYS 20 1HB LYS 20 -5.732 13.746 -2.540 147 1HG LYS 20 2HG LYS 20 -5.598 14.186 -4.903 148 2HG LYS 20 1HG LYS 20 -4.107 14.700 -4.111 149 1HD LYS 20 2HD LYS 20 -2.975 12.710 -4.861 150 2HD LYS 20 1HD LYS 20 -4.472 12.077 -5.554 151 1HE LYS 20 2HE LYS 20 -3.095 13.011 -7.310 152 2HE LYS 20 1HE LYS 20 -4.538 13.999 -7.097 153 1HZ LYS 20 1HZ LYS 20 -2.567 15.361 -7.366 154 2HZ LYS 20 2HZ LYS 20 -1.839 14.621 -6.030 155 3HZ LYS 20 3HZ LYS 20 -3.224 15.579 -5.813 156 H ASP 21 H ASP 21 -4.467 14.494 -0.713 157 HA ASP 21 HA ASP 21 -2.408 16.299 -1.503 158 1HB ASP 21 2HB ASP 21 -4.453 17.224 -0.673 159 2HB ASP 21 1HB ASP 21 -4.326 16.321 0.831 160 H GLU 22 H GLU 22 -2.840 14.238 1.374 161 HA GLU 22 HA GLU 22 -0.575 15.311 2.706 162 1HB GLU 22 2HB GLU 22 -2.604 13.291 3.239 163 2HB GLU 22 1HB GLU 22 -1.026 12.866 3.895 164 1HG GLU 22 2HG GLU 22 -2.510 15.431 4.391 165 2HG GLU 22 1HG GLU 22 -2.405 14.066 5.504 166 H LEU 23 H LEU 23 -1.002 12.587 0.549 167 HA LEU 23 HA LEU 23 1.717 11.637 1.039 168 1HB LEU 23 2HB LEU 23 -0.551 10.660 -0.689 169 2HB LEU 23 1HB LEU 23 1.063 10.026 -0.865 170 HG LEU 23 HG LEU 23 -0.602 8.689 0.511 171 1HD1 LEU 23 1HD1 LEU 23 1.564 7.916 0.586 172 2HD1 LEU 23 2HD1 LEU 23 1.205 8.227 2.290 173 3HD1 LEU 23 3HD1 LEU 23 2.168 9.381 1.364 174 1HD2 LEU 23 1HD2 LEU 23 -1.396 10.657 1.774 175 2HD2 LEU 23 2HD2 LEU 23 0.134 10.654 2.652 176 3HD2 LEU 23 3HD2 LEU 23 -0.960 9.272 2.772 177 H SER 24 H SER 24 -0.049 13.692 -1.000 178 HA SER 24 HA SER 24 0.394 14.913 -2.844 179 1HB SER 24 2HB SER 24 2.393 15.592 -1.513 180 2HB SER 24 1HB SER 24 3.305 14.287 -2.270 181 HG SER 24 HG SER 24 2.543 16.742 -3.278 182 H LEU 25 H LEU 25 -0.474 12.440 -3.404 183 HA LEU 25 HA LEU 25 1.192 10.928 -5.113 184 1HB LEU 25 2HB LEU 25 -1.812 11.187 -5.192 185 2HB LEU 25 1HB LEU 25 -0.892 10.029 -6.121 186 HG LEU 25 HG LEU 25 -1.621 8.722 -4.385 187 1HD1 LEU 25 1HD1 LEU 25 0.846 9.831 -3.114 188 2HD1 LEU 25 2HD1 LEU 25 0.881 8.762 -4.518 189 3HD1 LEU 25 3HD1 LEU 25 0.205 8.193 -2.989 190 1HD2 LEU 25 1HD2 LEU 25 -1.539 9.572 -1.981 191 2HD2 LEU 25 2HD2 LEU 25 -2.807 10.192 -3.040 192 3HD2 LEU 25 3HD2 LEU 25 -1.384 11.177 -2.697 193 HA PRO 26 HA PRO 26 1.154 13.667 -8.714 194 1HB PRO 26 2HB PRO 26 2.350 11.288 -9.994 195 2HB PRO 26 1HB PRO 26 2.972 12.939 -9.900 196 1HG PRO 26 2HG PRO 26 4.082 10.953 -8.486 197 2HG PRO 26 1HG PRO 26 3.949 12.596 -7.828 198 1HD PRO 26 2HD PRO 26 2.250 10.201 -7.277 199 2HD PRO 26 1HD PRO 26 2.872 11.394 -6.148 200 H ASP 27 H ASP 27 -0.108 13.593 -10.634 201 HA ASP 27 HA ASP 27 -2.551 12.315 -10.329 202 1HB ASP 27 2HB ASP 27 -3.115 13.073 -12.555 203 2HB ASP 27 1HB ASP 27 -2.194 14.323 -11.727 204 H SER 28 H SER 28 0.301 11.226 -12.001 205 HA SER 28 HA SER 28 -1.068 9.212 -13.511 206 1HB SER 28 2HB SER 28 1.903 9.525 -13.062 207 2HB SER 28 1HB SER 28 1.102 8.686 -14.395 208 HG SER 28 HG SER 28 0.116 11.137 -14.324 209 H VAL 29 H VAL 29 0.617 9.371 -10.451 210 HA VAL 29 HA VAL 29 0.913 6.535 -10.208 211 HB VAL 29 HB VAL 29 1.073 8.570 -8.002 212 1HG1 VAL 29 1HG1 VAL 29 2.478 6.817 -6.972 213 2HG1 VAL 29 2HG1 VAL 29 2.079 5.746 -8.302 214 3HG1 VAL 29 3HG1 VAL 29 0.817 6.312 -7.209 215 1HG2 VAL 29 1HG2 VAL 29 3.251 7.501 -9.803 216 2HG2 VAL 29 2HG2 VAL 29 3.492 8.547 -8.403 217 3HG2 VAL 29 3HG2 VAL 29 2.615 9.147 -9.812 218 H VAL 30 H VAL 30 -1.250 8.952 -8.662 219 HA VAL 30 HA VAL 30 -2.771 7.068 -7.252 220 HB VAL 30 HB VAL 30 -2.831 9.491 -6.828 221 1HG1 VAL 30 1HG1 VAL 30 -4.562 10.733 -8.036 222 2HG1 VAL 30 2HG1 VAL 30 -4.556 9.487 -9.273 223 3HG1 VAL 30 3HG1 VAL 30 -3.099 10.439 -8.960 224 1HG2 VAL 30 1HG2 VAL 30 -5.474 8.094 -7.186 225 2HG2 VAL 30 2HG2 VAL 30 -5.191 9.513 -6.177 226 3HG2 VAL 30 3HG2 VAL 30 -4.406 7.983 -5.786 227 H ALA 31 H ALA 31 -2.819 8.095 -10.574 228 HA ALA 31 HA ALA 31 -5.212 6.816 -11.388 229 1HB ALA 31 1HB ALA 31 -2.721 7.315 -12.990 230 2HB ALA 31 2HB ALA 31 -3.987 8.515 -12.707 231 3HB ALA 31 3HB ALA 31 -4.346 7.050 -13.628 232 H ASP 32 H ASP 32 -1.796 5.752 -11.598 233 HA ASP 32 HA ASP 32 -2.363 3.188 -12.632 234 1HB ASP 32 2HB ASP 32 0.022 4.383 -11.263 235 2HB ASP 32 1HB ASP 32 -0.033 2.648 -11.555 236 H LEU 33 H LEU 33 -2.040 4.412 -9.381 237 HA LEU 33 HA LEU 33 -2.345 2.176 -7.832 238 1HB LEU 33 2HB LEU 33 -2.180 4.601 -7.140 239 2HB LEU 33 1HB LEU 33 -3.890 4.744 -7.493 240 HG LEU 33 HG LEU 33 -4.318 2.986 -5.762 241 1HD1 LEU 33 1HD1 LEU 33 -1.365 3.380 -5.377 242 2HD1 LEU 33 2HD1 LEU 33 -2.242 1.866 -5.631 243 3HD1 LEU 33 3HD1 LEU 33 -2.411 2.737 -4.106 244 1HD2 LEU 33 1HD2 LEU 33 -4.480 5.457 -5.403 245 2HD2 LEU 33 2HD2 LEU 33 -2.855 5.400 -4.721 246 3HD2 LEU 33 3HD2 LEU 33 -4.169 4.514 -3.946 247 H TYR 34 H TYR 34 -5.025 4.148 -9.137 248 HA TYR 34 HA TYR 34 -7.025 2.236 -8.574 249 1HB TYR 34 2HB TYR 34 -6.956 4.612 -10.405 250 2HB TYR 34 1HB TYR 34 -8.398 3.620 -10.200 251 HD1 TYR 34 1HD TYR 34 -7.459 6.646 -9.369 252 HD2 TYR 34 2HD TYR 34 -8.318 3.007 -7.344 253 HE1 TYR 34 1HE TYR 34 -8.048 7.916 -7.345 254 HE2 TYR 34 2HE TYR 34 -8.911 4.261 -5.320 255 HH TYR 34 HH TYR 34 -8.392 6.456 -4.316 256 H ASN 35 H ASN 35 -4.696 1.240 -10.540 257 HA ASN 35 HA ASN 35 -5.846 0.941 -13.087 258 1HB ASN 35 2HB ASN 35 -3.396 0.637 -12.423 259 2HB ASN 35 1HB ASN 35 -3.854 -0.966 -11.858 260 1HD2 ASN 35 1HD2 ASN 35 -2.013 -0.228 -13.971 261 2HD2 ASN 35 2HD2 ASN 35 -2.612 -0.963 -15.418 262 H PHE 36 H PHE 36 -7.422 -0.294 -13.755 263 HA PHE 36 HA PHE 36 -8.801 -2.053 -11.987 264 1HB PHE 36 2HB PHE 36 -9.947 -0.694 -13.694 265 2HB PHE 36 1HB PHE 36 -9.132 -1.598 -14.962 266 HD1 PHE 36 1HD PHE 36 -9.911 -3.741 -15.645 267 HD2 PHE 36 2HD PHE 36 -11.682 -1.763 -12.319 268 HE1 PHE 36 1HE PHE 36 -11.772 -5.345 -15.689 269 HE2 PHE 36 2HE PHE 36 -13.546 -3.368 -12.355 270 HZ PHE 36 HZ PHE 36 -13.594 -5.160 -14.041 271 H TRP 37 H TRP 37 -6.563 -2.465 -14.655 272 HA TRP 37 HA TRP 37 -6.840 -5.363 -14.546 273 1HB TRP 37 2HB TRP 37 -5.261 -3.578 -16.407 274 2HB TRP 37 1HB TRP 37 -5.285 -5.335 -16.503 275 HD1 TRP 37 HD TRP 37 -7.419 -6.477 -17.570 276 HE1 TRP 37 1HE TRP 37 -9.431 -5.556 -18.893 277 HE3 TRP 37 3HE TRP 37 -6.829 -1.499 -16.570 278 HZ2 TRP 37 2HZ TRP 37 -10.604 -3.053 -19.430 279 HZ3 TRP 37 3HZ TRP 37 -8.443 0.094 -17.526 280 HH2 TRP 37 HH TRP 37 -10.290 -0.670 -18.927 281 H LYS 38 H LYS 38 -5.821 -6.122 -12.766 282 HA LYS 38 HA LYS 38 -3.221 -5.188 -11.986 283 1HB LYS 38 2HB LYS 38 -4.747 -7.656 -11.126 284 2HB LYS 38 1HB LYS 38 -3.263 -7.071 -10.384 285 1HG LYS 38 2HG LYS 38 -4.413 -4.999 -9.748 286 2HG LYS 38 1HG LYS 38 -5.900 -5.620 -10.465 287 1HD LYS 38 2HD LYS 38 -4.390 -6.931 -8.204 288 2HD LYS 38 1HD LYS 38 -5.817 -5.912 -8.009 289 1HE LYS 38 2HE LYS 38 -5.703 -8.492 -9.571 290 2HE LYS 38 1HE LYS 38 -6.365 -8.310 -7.948 291 1HZ LYS 38 1HZ LYS 38 -7.957 -6.682 -8.904 292 2HZ LYS 38 2HZ LYS 38 -8.155 -8.263 -9.484 293 3HZ LYS 38 3HZ LYS 38 -7.396 -7.095 -10.454 294 H ASP 39 H ASP 39 -2.237 -5.402 -14.058 295 HA ASP 39 HA ASP 39 -1.923 -7.801 -15.459 296 1HB ASP 39 2HB ASP 39 -1.519 -5.493 -16.297 297 2HB ASP 39 1HB ASP 39 -0.001 -5.474 -15.407 298 H ASP 40 H ASP 40 -0.943 -7.896 -12.412 299 HA ASP 40 HA ASP 40 0.781 -8.721 -11.182 300 1HB ASP 40 2HB ASP 40 0.031 -10.717 -12.521 301 2HB ASP 40 1HB ASP 40 1.313 -10.365 -13.672 302 H TYR 41 H TYR 41 1.385 -6.336 -12.317 303 HA TYR 41 HA TYR 41 3.960 -6.470 -13.635 304 1HB TYR 41 2HB TYR 41 3.744 -3.922 -13.498 305 2HB TYR 41 1HB TYR 41 2.573 -4.773 -14.497 306 HD1 TYR 41 1HD TYR 41 0.268 -4.588 -14.072 307 HD2 TYR 41 2HD TYR 41 3.043 -3.172 -11.176 308 HE1 TYR 41 1HE TYR 41 -1.576 -3.543 -12.829 309 HE2 TYR 41 2HE TYR 41 1.206 -2.127 -9.919 310 HH TYR 41 HH TYR 41 -1.098 -1.274 -10.391 311 H VAL 42 H VAL 42 5.626 -4.788 -12.780 312 HA VAL 42 HA VAL 42 6.060 -5.362 -9.945 313 HB VAL 42 HB VAL 42 7.942 -4.110 -11.963 314 1HG1 VAL 42 1HG1 VAL 42 8.448 -3.423 -9.681 315 2HG1 VAL 42 2HG1 VAL 42 9.683 -4.529 -10.288 316 3HG1 VAL 42 3HG1 VAL 42 8.457 -5.108 -9.161 317 1HG2 VAL 42 1HG2 VAL 42 7.472 -6.421 -12.536 318 2HG2 VAL 42 2HG2 VAL 42 7.824 -6.928 -10.884 319 3HG2 VAL 42 3HG2 VAL 42 9.110 -6.276 -11.900 320 H MET 43 H MET 43 5.670 -3.874 -8.446 321 HA MET 43 HA MET 43 4.668 -1.305 -9.097 322 1HB MET 43 2HB MET 43 4.045 -2.606 -7.061 323 2HB MET 43 1HB MET 43 5.653 -2.305 -6.419 324 1HG MET 43 2HG MET 43 5.234 0.055 -6.325 325 2HG MET 43 1HG MET 43 3.679 -0.151 -7.130 326 1HE MET 43 1HE MET 43 1.637 -1.526 -6.036 327 2HE MET 43 2HE MET 43 1.704 -2.227 -4.419 328 3HE MET 43 3HE MET 43 2.712 -2.885 -5.708 329 H THR 44 H THR 44 5.949 0.149 -10.011 330 HA THR 44 HA THR 44 8.770 0.238 -9.285 331 HB THR 44 HB THR 44 8.756 1.980 -11.223 332 HG1 THR 44 1HG THR 44 7.013 1.638 -12.679 333 1HG2 THR 44 1HG2 THR 44 8.225 -0.952 -11.750 334 2HG2 THR 44 2HG2 THR 44 9.789 -0.230 -11.379 335 3HG2 THR 44 3HG2 THR 44 8.963 0.183 -12.878 336 H ASP 45 H ASP 45 5.900 2.289 -9.248 337 HA ASP 45 HA ASP 45 7.426 4.585 -8.348 338 1HB ASP 45 2HB ASP 45 5.346 4.668 -9.880 339 2HB ASP 45 1HB ASP 45 4.436 4.462 -8.392 340 H ARG 46 H ARG 46 7.519 5.433 -6.450 341 HA ARG 46 HA ARG 46 7.195 3.587 -4.289 342 1HB ARG 46 2HB ARG 46 8.277 6.397 -4.456 343 2HB ARG 46 1HB ARG 46 8.195 5.489 -2.966 344 1HG ARG 46 2HG ARG 46 10.408 5.309 -3.789 345 2HG ARG 46 1HG ARG 46 9.636 3.742 -4.024 346 1HD ARG 46 2HD ARG 46 9.177 4.392 -6.378 347 2HD ARG 46 1HD ARG 46 10.088 5.878 -6.108 348 HE ARG 46 HE ARG 46 11.355 3.253 -5.715 349 1HH1 ARG 46 1HH1 ARG 46 11.207 6.344 -7.360 350 2HH1 ARG 46 2HH1 ARG 46 12.761 6.143 -8.118 351 1HH2 ARG 46 1HH2 ARG 46 13.391 3.000 -6.732 352 2HH2 ARG 46 2HH2 ARG 46 13.988 4.260 -7.771 353 H LEU 47 H LEU 47 5.563 6.414 -5.497 354 HA LEU 47 HA LEU 47 4.076 7.013 -3.161 355 1HB LEU 47 2HB LEU 47 3.870 7.768 -6.039 356 2HB LEU 47 1HB LEU 47 2.447 7.968 -5.037 357 HG LEU 47 HG LEU 47 3.617 10.046 -5.142 358 1HD1 LEU 47 1HD1 LEU 47 2.606 9.315 -2.990 359 2HD1 LEU 47 2HD1 LEU 47 3.893 10.517 -2.827 360 3HD1 LEU 47 3HD1 LEU 47 4.221 8.821 -2.463 361 1HD2 LEU 47 1HD2 LEU 47 5.797 9.198 -5.783 362 2HD2 LEU 47 2HD2 LEU 47 6.041 8.553 -4.155 363 3HD2 LEU 47 3HD2 LEU 47 5.926 10.296 -4.407 364 H ALA 48 H ALA 48 3.912 4.415 -5.323 365 HA ALA 48 HA ALA 48 1.059 4.003 -5.077 366 1HB ALA 48 1HB ALA 48 2.433 3.357 -7.089 367 2HB ALA 48 2HB ALA 48 1.379 2.092 -6.450 368 3HB ALA 48 3HB ALA 48 3.111 2.053 -6.110 369 H GLY 49 H GLY 49 3.920 2.048 -4.230 370 1HA GLY 49 2HA GLY 49 3.145 0.577 -2.140 371 2HA GLY 49 1HA GLY 49 4.643 1.484 -2.092 372 H CYS 50 H CYS 50 3.698 4.146 -1.709 373 HA CYS 50 HA CYS 50 3.188 4.082 1.067 374 1HB CYS 50 2HB CYS 50 2.707 6.422 -0.774 375 2HB CYS 50 1HB CYS 50 3.082 6.480 0.938 376 H ALA 51 H ALA 51 1.171 4.768 -1.756 377 HA ALA 51 HA ALA 51 -1.122 5.557 -0.307 378 1HB ALA 51 1HB ALA 51 -0.710 6.273 -2.596 379 2HB ALA 51 2HB ALA 51 -2.277 5.478 -2.449 380 3HB ALA 51 3HB ALA 51 -0.912 4.614 -3.157 381 H ILE 52 H ILE 52 0.121 2.444 -1.061 382 HA ILE 52 HA ILE 52 -2.169 0.874 -1.085 383 HB ILE 52 HB ILE 52 0.489 0.261 0.219 384 1HG1 ILE 52 2HG1 ILE 52 -0.643 -0.510 -2.478 385 2HG1 ILE 52 1HG1 ILE 52 0.608 0.698 -2.199 386 1HG2 ILE 52 1HG2 ILE 52 -1.250 -1.170 1.140 387 2HG2 ILE 52 2HG2 ILE 52 -0.172 -2.095 0.093 388 3HG2 ILE 52 3HG2 ILE 52 -1.766 -1.611 -0.487 389 1HD1 ILE 52 1HD1 ILE 52 0.831 -2.248 -1.626 390 2HD1 ILE 52 2HD1 ILE 52 2.084 -1.043 -1.331 391 3HD1 ILE 52 3HD1 ILE 52 1.562 -1.386 -2.980 392 H ASN 53 H ASN 53 -0.487 2.378 1.619 393 HA ASN 53 HA ASN 53 -2.878 1.982 3.235 394 1HB ASN 53 2HB ASN 53 -1.239 0.102 3.739 395 2HB ASN 53 1HB ASN 53 -0.158 1.333 4.383 396 1HD2 ASN 53 1HD2 ASN 53 -1.360 -0.890 5.749 397 2HD2 ASN 53 2HD2 ASN 53 -2.308 -0.236 7.037 398 H CYS 54 H CYS 54 -2.839 4.262 2.454 399 HA CYS 54 HA CYS 54 -1.152 5.952 4.166 400 1HB CYS 54 2HB CYS 54 -1.910 7.797 2.691 401 2HB CYS 54 1HB CYS 54 -1.051 6.528 1.828 402 H LEU 55 H LEU 55 -4.526 5.414 3.204 403 HA LEU 55 HA LEU 55 -5.670 7.425 4.789 404 1HB LEU 55 2HB LEU 55 -6.815 6.326 2.920 405 2HB LEU 55 1HB LEU 55 -6.875 4.829 3.829 406 HG LEU 55 HG LEU 55 -8.336 5.925 5.501 407 1HD1 LEU 55 1HD1 LEU 55 -8.307 8.245 3.573 408 2HD1 LEU 55 2HD1 LEU 55 -7.581 8.228 5.181 409 3HD1 LEU 55 3HD1 LEU 55 -9.332 8.092 5.000 410 1HD2 LEU 55 1HD2 LEU 55 -10.334 6.040 4.074 411 2HD2 LEU 55 2HD2 LEU 55 -9.324 4.644 3.693 412 3HD2 LEU 55 3HD2 LEU 55 -9.298 6.063 2.647 413 H ALA 56 H ALA 56 -5.132 3.976 5.470 414 HA ALA 56 HA ALA 56 -6.493 4.189 8.006 415 1HB ALA 56 1HB ALA 56 -6.689 2.157 6.658 416 2HB ALA 56 2HB ALA 56 -5.993 1.813 8.243 417 3HB ALA 56 3HB ALA 56 -4.954 1.880 6.819 418 H THR 57 H THR 57 -3.303 4.580 6.857 419 HA THR 57 HA THR 57 -2.094 4.195 9.447 420 HB THR 57 HB THR 57 -0.955 5.236 6.859 421 HG1 THR 57 1HG THR 57 -1.440 2.939 7.097 422 1HG2 THR 57 1HG2 THR 57 0.359 4.828 9.514 423 2HG2 THR 57 2HG2 THR 57 0.272 6.324 8.585 424 3HG2 THR 57 3HG2 THR 57 1.253 4.977 8.004 425 H LYS 58 H LYS 58 -3.138 6.915 7.410 426 HA LYS 58 HA LYS 58 -2.207 8.927 9.171 427 1HB LYS 58 2HB LYS 58 -4.446 9.004 7.139 428 2HB LYS 58 1HB LYS 58 -3.830 10.414 7.982 429 1HG LYS 58 2HG LYS 58 -1.988 8.711 6.353 430 2HG LYS 58 1HG LYS 58 -3.034 9.895 5.573 431 1HD LYS 58 2HD LYS 58 -0.776 10.368 7.507 432 2HD LYS 58 1HD LYS 58 -1.013 11.018 5.894 433 1HE LYS 58 2HE LYS 58 -2.800 12.425 6.630 434 2HE LYS 58 1HE LYS 58 -2.811 11.669 8.222 435 1HZ LYS 58 1HZ LYS 58 -0.607 13.318 7.088 436 2HZ LYS 58 2HZ LYS 58 -0.593 12.564 8.612 437 3HZ LYS 58 3HZ LYS 58 -1.706 13.799 8.289 438 H LEU 59 H LEU 59 -5.063 6.911 9.214 439 HA LEU 59 HA LEU 59 -6.594 8.435 11.010 440 1HB LEU 59 2HB LEU 59 -6.467 5.461 10.601 441 2HB LEU 59 1HB LEU 59 -7.660 6.268 11.600 442 HG LEU 59 HG LEU 59 -7.385 6.277 8.618 443 1HD1 LEU 59 1HD1 LEU 59 -9.642 5.903 10.552 444 2HD1 LEU 59 2HD1 LEU 59 -8.825 4.634 9.637 445 3HD1 LEU 59 3HD1 LEU 59 -9.804 5.840 8.798 446 1HD2 LEU 59 1HD2 LEU 59 -8.996 8.121 8.499 447 2HD2 LEU 59 2HD2 LEU 59 -7.481 8.640 9.237 448 3HD2 LEU 59 3HD2 LEU 59 -8.891 8.327 10.248 449 H ASP 60 H ASP 60 -4.679 5.501 11.809 450 HA ASP 60 HA ASP 60 -3.298 6.640 13.965 451 1HB ASP 60 2HB ASP 60 -5.648 6.712 14.913 452 2HB ASP 60 1HB ASP 60 -5.624 4.950 14.902 453 H VAL 61 H VAL 61 -1.563 5.385 14.168 454 HA VAL 61 HA VAL 61 -1.612 2.578 14.454 455 HB VAL 61 HB VAL 61 -2.246 2.682 12.066 456 1HG1 VAL 61 1HG1 VAL 61 -1.162 4.743 11.444 457 2HG1 VAL 61 2HG1 VAL 61 -0.631 3.430 10.392 458 3HG1 VAL 61 3HG1 VAL 61 0.423 4.008 11.682 459 1HG2 VAL 61 1HG2 VAL 61 0.549 1.615 12.224 460 2HG2 VAL 61 2HG2 VAL 61 -0.814 1.002 11.287 461 3HG2 VAL 61 3HG2 VAL 61 -0.803 0.830 13.042 462 H VAL 62 H VAL 62 -0.405 4.306 16.040 463 HA VAL 62 HA VAL 62 2.380 4.518 15.118 464 HB VAL 62 HB VAL 62 2.517 6.614 15.827 465 1HG1 VAL 62 1HG1 VAL 62 0.485 7.901 15.972 466 2HG1 VAL 62 2HG1 VAL 62 -0.449 6.430 16.240 467 3HG1 VAL 62 3HG1 VAL 62 0.369 6.686 14.699 468 1HG2 VAL 62 1HG2 VAL 62 0.973 5.924 18.322 469 2HG2 VAL 62 2HG2 VAL 62 1.784 7.459 18.006 470 3HG2 VAL 62 3HG2 VAL 62 2.729 5.979 18.165 471 H ASP 63 H ASP 63 3.882 3.356 16.132 472 HA ASP 63 HA ASP 63 3.226 1.757 18.409 473 1HB ASP 63 2HB ASP 63 4.911 1.319 16.404 474 2HB ASP 63 1HB ASP 63 6.056 2.054 17.512 475 HA PRO 64 HA PRO 64 6.293 4.390 20.813 476 1HB PRO 64 2HB PRO 64 7.924 6.126 19.388 477 2HB PRO 64 1HB PRO 64 8.264 4.418 19.670 478 1HG PRO 64 2HG PRO 64 7.739 5.652 17.178 479 2HG PRO 64 1HG PRO 64 7.859 3.914 17.501 480 1HD PRO 64 2HD PRO 64 5.432 5.650 17.343 481 2HD PRO 64 1HD PRO 64 5.651 3.984 16.793 482 H ASP 65 H ASP 65 7.396 7.140 20.281 483 HA ASP 65 HA ASP 65 5.322 8.612 21.555 484 1HB ASP 65 2HB ASP 65 7.810 8.931 21.880 485 2HB ASP 65 1HB ASP 65 7.855 9.694 20.303 486 H GLY 66 H GLY 66 5.548 7.761 18.415 487 1HA GLY 66 2HA GLY 66 3.666 9.010 17.140 488 2HA GLY 66 1HA GLY 66 4.760 10.363 17.325 489 H ASN 67 H ASN 67 7.059 9.822 16.695 490 HA ASN 67 HA ASN 67 7.057 9.137 13.916 491 1HB ASN 67 2HB ASN 67 9.516 9.653 14.120 492 2HB ASN 67 1HB ASN 67 8.448 10.953 14.643 493 1HD2 ASN 67 1HD2 ASN 67 10.742 8.548 15.657 494 2HD2 ASN 67 2HD2 ASN 67 10.936 9.124 17.277 495 H LEU 68 H LEU 68 8.150 7.468 12.880 496 HA LEU 68 HA LEU 68 9.183 5.476 12.539 497 1HB LEU 68 2HB LEU 68 10.211 6.172 15.245 498 2HB LEU 68 1HB LEU 68 10.437 4.530 14.677 499 HG LEU 68 HG LEU 68 12.403 5.969 14.273 500 1HD1 LEU 68 1HD1 LEU 68 11.035 5.048 11.749 501 2HD1 LEU 68 2HD1 LEU 68 11.970 4.032 12.844 502 3HD1 LEU 68 3HD1 LEU 68 12.763 5.332 11.956 503 1HD2 LEU 68 1HD2 LEU 68 10.628 7.447 12.336 504 2HD2 LEU 68 2HD2 LEU 68 12.348 7.720 12.614 505 3HD2 LEU 68 3HD2 LEU 68 11.182 8.078 13.887 506 H HIS 69 H HIS 69 6.499 5.516 13.177 507 HA HIS 69 HA HIS 69 5.864 3.501 15.090 508 1HB HIS 69 2HB HIS 69 3.559 3.684 14.141 509 2HB HIS 69 1HB HIS 69 4.241 5.231 14.620 510 HD1 HIS 69 1HD HIS 69 2.550 3.613 11.875 511 HD2 HIS 69 2HD HIS 69 5.283 6.718 12.260 512 HE1 HIS 69 1HE HIS 69 2.438 4.883 9.710 513 HE2 HIS 69 2HE HIS 69 4.283 6.598 9.878 514 H HIS 70 H HIS 70 7.497 1.986 14.139 515 HA HIS 70 HA HIS 70 6.777 0.652 11.685 516 1HB HIS 70 2HB HIS 70 8.732 -0.785 12.126 517 2HB HIS 70 1HB HIS 70 9.139 0.922 12.225 518 HD1 HIS 70 1HD HIS 70 9.682 -2.167 13.940 519 HD2 HIS 70 2HD HIS 70 9.107 1.772 15.141 520 HE1 HIS 70 1HE HIS 70 10.581 -2.029 16.284 521 HE2 HIS 70 2HE HIS 70 10.025 0.301 17.061 522 H GLY 71 H GLY 71 6.844 -0.254 15.119 523 1HA GLY 71 2HA GLY 71 6.167 -2.939 14.792 524 2HA GLY 71 1HA GLY 71 5.937 -2.007 16.260 525 H ASN 72 H ASN 72 4.060 -0.275 15.818 526 HA ASN 72 HA ASN 72 1.703 -1.730 15.891 527 1HB ASN 72 2HB ASN 72 2.269 0.667 16.750 528 2HB ASN 72 1HB ASN 72 1.695 1.189 15.171 529 1HD2 ASN 72 1HD2 ASN 72 0.605 1.732 17.793 530 2HD2 ASN 72 2HD2 ASN 72 -1.015 1.121 17.792 531 H ALA 73 H ALA 73 3.344 -0.378 13.096 532 HA ALA 73 HA ALA 73 1.021 -0.328 11.423 533 1HB ALA 73 1HB ALA 73 2.955 1.104 10.968 534 2HB ALA 73 2HB ALA 73 2.583 0.065 9.593 535 3HB ALA 73 3HB ALA 73 3.938 -0.325 10.654 536 H LYS 74 H LYS 74 3.605 -2.612 12.100 537 HA LYS 74 HA LYS 74 2.785 -4.423 10.016 538 1HB LYS 74 2HB LYS 74 4.683 -4.776 12.345 539 2HB LYS 74 1HB LYS 74 4.440 -5.964 11.074 540 1HG LYS 74 2HG LYS 74 5.371 -4.529 9.432 541 2HG LYS 74 1HG LYS 74 5.355 -3.152 10.536 542 1HD LYS 74 2HD LYS 74 7.029 -4.202 11.929 543 2HD LYS 74 1HD LYS 74 6.987 -5.657 10.932 544 1HE LYS 74 2HE LYS 74 8.921 -4.143 10.485 545 2HE LYS 74 1HE LYS 74 7.930 -4.504 9.075 546 1HZ LYS 74 1HZ LYS 74 7.331 -2.087 10.622 547 2HZ LYS 74 2HZ LYS 74 7.149 -2.378 8.963 548 3HZ LYS 74 3HZ LYS 74 8.687 -2.077 9.610 549 H ASP 75 H ASP 75 2.385 -4.177 13.524 550 HA ASP 75 HA ASP 75 0.852 -6.541 13.800 551 1HB ASP 75 2HB ASP 75 1.894 -5.260 15.699 552 2HB ASP 75 1HB ASP 75 0.611 -4.067 15.514 553 H PHE 76 H PHE 76 0.060 -3.251 12.890 554 HA PHE 76 HA PHE 76 -2.724 -3.340 12.997 555 1HB PHE 76 2HB PHE 76 -1.404 -1.297 12.529 556 2HB PHE 76 1HB PHE 76 -0.985 -1.942 10.946 557 HD1 PHE 76 1HD PHE 76 -2.397 -1.630 9.108 558 HD2 PHE 76 2HD PHE 76 -3.819 -0.800 13.030 559 HE1 PHE 76 1HE PHE 76 -4.410 -0.589 8.154 560 HE2 PHE 76 2HE PHE 76 -5.833 0.243 12.083 561 HZ PHE 76 HZ PHE 76 -6.134 0.349 9.642 562 H ALA 77 H ALA 77 -0.494 -4.350 10.437 563 HA ALA 77 HA ALA 77 -2.515 -5.286 8.663 564 1HB ALA 77 1HB ALA 77 -0.563 -6.648 7.721 565 2HB ALA 77 2HB ALA 77 0.430 -5.805 8.912 566 3HB ALA 77 3HB ALA 77 -0.433 -4.890 7.674 567 H MET 78 H MET 78 -0.737 -6.733 11.310 568 HA MET 78 HA MET 78 -1.562 -9.401 10.746 569 1HB MET 78 2HB MET 78 -0.254 -8.146 13.148 570 2HB MET 78 1HB MET 78 -0.706 -9.845 13.108 571 1HG MET 78 2HG MET 78 0.683 -10.076 11.045 572 2HG MET 78 1HG MET 78 1.254 -8.434 11.322 573 1HE MET 78 1HE MET 78 3.158 -8.792 14.726 574 2HE MET 78 2HE MET 78 1.476 -8.315 14.492 575 3HE MET 78 3HE MET 78 2.725 -7.704 13.407 576 H LYS 79 H LYS 79 -3.008 -6.804 12.656 577 HA LYS 79 HA LYS 79 -4.892 -8.735 13.749 578 1HB LYS 79 2HB LYS 79 -5.902 -6.722 14.881 579 2HB LYS 79 1HB LYS 79 -4.251 -7.097 15.342 580 1HG LYS 79 2HG LYS 79 -3.387 -5.245 14.246 581 2HG LYS 79 1HG LYS 79 -4.805 -5.075 13.210 582 1HD LYS 79 2HD LYS 79 -4.765 -3.317 14.887 583 2HD LYS 79 1HD LYS 79 -6.137 -4.388 15.151 584 1HE LYS 79 2HE LYS 79 -5.279 -4.019 17.288 585 2HE LYS 79 1HE LYS 79 -4.632 -5.593 16.836 586 1HZ LYS 79 1HZ LYS 79 -2.524 -4.678 16.437 587 2HZ LYS 79 2HZ LYS 79 -3.038 -3.972 17.889 588 3HZ LYS 79 3HZ LYS 79 -3.108 -3.086 16.445 589 H HIS 80 H HIS 80 -4.609 -6.663 11.031 590 HA HIS 80 HA HIS 80 -7.447 -7.120 10.421 591 1HB HIS 80 2HB HIS 80 -6.034 -4.519 9.779 592 2HB HIS 80 1HB HIS 80 -7.726 -4.902 9.503 593 HD1 HIS 80 1HD HIS 80 -6.669 -2.454 11.183 594 HD2 HIS 80 2HD HIS 80 -8.059 -6.044 12.723 595 HE1 HIS 80 1HE HIS 80 -7.273 -1.972 13.573 596 HE2 HIS 80 2HE HIS 80 -7.777 -4.248 14.541 597 H GLY 81 H GLY 81 -6.812 -8.803 9.023 598 1HA GLY 81 2HA GLY 81 -6.929 -8.788 6.518 599 2HA GLY 81 1HA GLY 81 -5.458 -7.830 6.588 600 H ALA 82 H ALA 82 -3.597 -8.893 7.752 601 HA ALA 82 HA ALA 82 -3.352 -11.558 6.590 602 1HB ALA 82 1HB ALA 82 -1.023 -10.270 7.891 603 2HB ALA 82 2HB ALA 82 -1.652 -9.513 6.424 604 3HB ALA 82 3HB ALA 82 -1.118 -11.194 6.390 605 H ASP 83 H ASP 83 -3.234 -13.366 7.742 606 HA ASP 83 HA ASP 83 -3.225 -13.213 10.634 607 1HB ASP 83 2HB ASP 83 -3.805 -15.452 10.714 608 2HB ASP 83 1HB ASP 83 -4.578 -14.906 9.246 609 H GLU 84 H GLU 84 -1.700 -15.052 11.637 610 HA GLU 84 HA GLU 84 0.682 -13.755 11.472 611 1HB GLU 84 2HB GLU 84 -0.267 -16.206 12.847 612 2HB GLU 84 1HB GLU 84 1.470 -15.966 12.744 613 1HG GLU 84 2HG GLU 84 1.011 -13.648 13.733 614 2HG GLU 84 1HG GLU 84 -0.577 -14.294 14.149 615 H THR 85 H THR 85 -0.417 -16.672 9.837 616 HA THR 85 HA THR 85 2.156 -17.625 9.166 617 HB THR 85 HB THR 85 -0.005 -18.948 8.997 618 HG1 THR 85 1HG THR 85 2.161 -19.473 8.047 619 1HG2 THR 85 1HG2 THR 85 -1.282 -17.366 7.667 620 2HG2 THR 85 2HG2 THR 85 -1.153 -18.917 6.841 621 3HG2 THR 85 3HG2 THR 85 -0.156 -17.554 6.324 622 H MET 86 H MET 86 0.140 -15.094 7.760 623 HA MET 86 HA MET 86 1.653 -15.043 5.288 624 1HB MET 86 2HB MET 86 -0.373 -13.027 6.287 625 2HB MET 86 1HB MET 86 0.222 -13.201 4.645 626 1HG MET 86 2HG MET 86 -0.874 -15.335 4.435 627 2HG MET 86 1HG MET 86 -1.381 -15.260 6.124 628 1HE MET 86 1HE MET 86 -4.693 -14.763 3.962 629 2HE MET 86 2HE MET 86 -3.954 -15.741 5.232 630 3HE MET 86 3HE MET 86 -3.298 -15.779 3.593 631 H ALA 87 H ALA 87 1.278 -13.232 8.249 632 HA ALA 87 HA ALA 87 3.049 -11.137 7.648 633 1HB ALA 87 1HB ALA 87 1.850 -12.290 10.106 634 2HB ALA 87 2HB ALA 87 1.757 -10.648 9.465 635 3HB ALA 87 3HB ALA 87 3.222 -11.195 10.279 636 H GLN 88 H GLN 88 3.437 -14.370 8.917 637 HA GLN 88 HA GLN 88 6.167 -13.984 9.750 638 1HB GLN 88 2HB GLN 88 4.188 -16.150 9.843 639 2HB GLN 88 1HB GLN 88 5.842 -16.701 9.616 640 1HG GLN 88 2HG GLN 88 4.991 -16.526 11.997 641 2HG GLN 88 1HG GLN 88 6.552 -15.791 11.645 642 1HE2 GLN 88 1HE2 GLN 88 3.219 -15.207 12.468 643 2HE2 GLN 88 2HE2 GLN 88 3.414 -13.527 12.850 644 H GLN 89 H GLN 89 4.597 -15.119 6.800 645 HA GLN 89 HA GLN 89 7.117 -15.960 5.672 646 1HB GLN 89 2HB GLN 89 4.608 -15.294 4.109 647 2HB GLN 89 1HB GLN 89 5.968 -16.272 3.587 648 1HG GLN 89 2HG GLN 89 3.879 -16.957 5.630 649 2HG GLN 89 1HG GLN 89 4.179 -17.728 4.076 650 1HE2 GLN 89 1HE2 GLN 89 4.081 -18.766 6.827 651 2HE2 GLN 89 2HE2 GLN 89 5.586 -19.598 7.066 652 H LEU 90 H LEU 90 5.413 -12.994 6.073 653 HA LEU 90 HA LEU 90 6.728 -11.650 3.883 654 1HB LEU 90 2HB LEU 90 4.409 -11.113 4.560 655 2HB LEU 90 1HB LEU 90 5.024 -10.522 6.090 656 HG LEU 90 HG LEU 90 6.261 -8.751 4.917 657 1HD1 LEU 90 1HD1 LEU 90 5.842 -8.320 2.556 658 2HD1 LEU 90 2HD1 LEU 90 4.887 -9.800 2.448 659 3HD1 LEU 90 3HD1 LEU 90 6.615 -9.889 2.787 660 1HD2 LEU 90 1HD2 LEU 90 4.021 -8.307 5.759 661 2HD2 LEU 90 2HD2 LEU 90 3.326 -8.875 4.239 662 3HD2 LEU 90 3HD2 LEU 90 4.319 -7.417 4.265 663 H VAL 91 H VAL 91 6.831 -11.589 7.419 664 HA VAL 91 HA VAL 91 8.566 -9.446 7.796 665 HB VAL 91 HB VAL 91 9.114 -10.555 9.996 666 1HG1 VAL 91 1HG1 VAL 91 6.778 -10.438 10.869 667 2HG1 VAL 91 2HG1 VAL 91 6.233 -10.246 9.201 668 3HG1 VAL 91 3HG1 VAL 91 7.283 -9.030 9.929 669 1HG2 VAL 91 1HG2 VAL 91 7.558 -12.720 8.716 670 2HG2 VAL 91 2HG2 VAL 91 7.508 -12.522 10.469 671 3HG2 VAL 91 3HG2 VAL 91 9.048 -12.819 9.655 672 H ASP 92 H ASP 92 9.282 -12.813 7.111 673 HA ASP 92 HA ASP 92 12.031 -12.701 7.751 674 1HB ASP 92 2HB ASP 92 10.994 -14.835 7.729 675 2HB ASP 92 1HB ASP 92 10.395 -14.619 6.091 676 H ILE 93 H ILE 93 10.228 -12.364 4.727 677 HA ILE 93 HA ILE 93 12.522 -11.950 3.103 678 HB ILE 93 HB ILE 93 9.589 -11.537 2.710 679 1HG1 ILE 93 2HG1 ILE 93 9.910 -13.045 0.838 680 2HG1 ILE 93 1HG1 ILE 93 11.653 -12.975 1.039 681 1HG2 ILE 93 1HG2 ILE 93 10.732 -9.523 1.791 682 2HG2 ILE 93 2HG2 ILE 93 9.861 -10.483 0.594 683 3HG2 ILE 93 3HG2 ILE 93 11.617 -10.597 0.707 684 1HD1 ILE 93 1HD1 ILE 93 11.335 -14.017 3.295 685 2HD1 ILE 93 2HD1 ILE 93 10.901 -15.042 1.923 686 3HD1 ILE 93 3HD1 ILE 93 9.638 -14.251 2.869 687 H ILE 94 H ILE 94 10.251 -9.793 4.758 688 HA ILE 94 HA ILE 94 11.156 -7.360 3.743 689 HB ILE 94 HB ILE 94 10.064 -7.976 6.487 690 1HG1 ILE 94 2HG1 ILE 94 8.793 -6.799 4.005 691 2HG1 ILE 94 1HG1 ILE 94 8.512 -8.415 4.647 692 1HG2 ILE 94 1HG2 ILE 94 10.509 -5.285 5.192 693 2HG2 ILE 94 2HG2 ILE 94 11.364 -5.924 6.597 694 3HG2 ILE 94 3HG2 ILE 94 9.641 -5.565 6.703 695 1HD1 ILE 94 1HD1 ILE 94 7.874 -5.867 6.093 696 2HD1 ILE 94 2HD1 ILE 94 7.470 -7.504 6.607 697 3HD1 ILE 94 3HD1 ILE 94 6.713 -6.816 5.168 698 H HIS 95 H HIS 95 12.297 -9.173 6.570 699 HA HIS 95 HA HIS 95 14.225 -7.187 7.288 700 1HB HIS 95 2HB HIS 95 14.086 -10.095 8.117 701 2HB HIS 95 1HB HIS 95 15.117 -8.876 8.851 702 HD1 HIS 95 1HD HIS 95 13.340 -10.226 10.759 703 HD2 HIS 95 2HD HIS 95 12.059 -6.933 8.555 704 HE1 HIS 95 1HE HIS 95 11.357 -9.301 12.001 705 HE2 HIS 95 2HE HIS 95 10.707 -7.215 10.751 706 H GLY 96 H GLY 96 14.272 -10.041 5.254 707 1HA GLY 96 2HA GLY 96 17.166 -10.147 5.210 708 2HA GLY 96 1HA GLY 96 16.065 -11.218 4.357 709 H CYS 97 H CYS 97 14.572 -9.405 2.909 710 HA CYS 97 HA CYS 97 16.388 -8.897 0.807 711 1HB CYS 97 2HB CYS 97 13.479 -8.124 1.008 712 2HB CYS 97 1HB CYS 97 14.453 -8.131 -0.459 713 H GLU 98 H GLU 98 14.640 -6.752 3.106 714 HA GLU 98 HA GLU 98 15.686 -4.351 2.081 715 1HB GLU 98 2HB GLU 98 13.909 -4.389 3.783 716 2HB GLU 98 1HB GLU 98 15.046 -5.028 4.964 717 1HG GLU 98 2HG GLU 98 16.390 -2.963 4.724 718 2HG GLU 98 1HG GLU 98 15.151 -2.323 3.648 719 H LYS 99 H LYS 99 17.054 -6.681 4.396 720 HA LYS 99 HA LYS 99 19.334 -5.152 5.038 721 1HB LYS 99 2HB LYS 99 18.502 -7.099 6.346 722 2HB LYS 99 1HB LYS 99 19.029 -8.160 5.047 723 1HG LYS 99 2HG LYS 99 20.662 -8.195 6.789 724 2HG LYS 99 1HG LYS 99 21.332 -7.361 5.386 725 1HD LYS 99 2HD LYS 99 20.817 -5.202 6.429 726 2HD LYS 99 1HD LYS 99 20.165 -6.046 7.836 727 1HE LYS 99 2HE LYS 99 23.015 -6.124 6.849 728 2HE LYS 99 1HE LYS 99 22.424 -5.290 8.285 729 1HZ LYS 99 1HZ LYS 99 23.339 -7.277 9.057 730 2HZ LYS 99 2HZ LYS 99 22.645 -8.202 7.816 731 3HZ LYS 99 3HZ LYS 99 21.665 -7.573 9.052 732 H SER 100 H SER 100 18.579 -7.356 2.433 733 HA SER 100 HA SER 100 21.329 -7.159 1.427 734 1HB SER 100 2HB SER 100 19.152 -9.011 0.453 735 2HB SER 100 1HB SER 100 20.888 -9.143 0.171 736 HG SER 100 HG SER 100 19.434 -9.584 2.556 737 H ALA 101 H ALA 101 18.947 -5.215 1.203 738 HA ALA 101 HA ALA 101 18.459 -5.089 -1.643 739 1HB ALA 101 1HB ALA 101 17.733 -3.159 0.565 740 2HB ALA 101 2HB ALA 101 16.692 -4.416 -0.104 741 3HB ALA 101 3HB ALA 101 17.186 -3.053 -1.109 742 HA PRO 102 HA PRO 102 21.769 -2.338 -2.822 743 1HB PRO 102 2HB PRO 102 19.700 -0.642 -4.111 744 2HB PRO 102 1HB PRO 102 21.147 -1.377 -4.810 745 1HG PRO 102 2HG PRO 102 18.715 -2.349 -5.344 746 2HG PRO 102 1HG PRO 102 20.112 -3.422 -5.142 747 1HD PRO 102 2HD PRO 102 17.884 -2.829 -3.242 748 2HD PRO 102 1HD PRO 102 18.722 -4.362 -3.551 749 HA PRO 103 HA PRO 103 21.553 0.684 0.377 750 1HB PRO 103 2HB PRO 103 23.619 2.302 -0.396 751 2HB PRO 103 1HB PRO 103 23.826 0.750 0.422 752 1HG PRO 103 2HG PRO 103 24.081 1.420 -2.474 753 2HG PRO 103 1HG PRO 103 25.046 0.306 -1.489 754 1HD PRO 103 2HD PRO 103 23.104 -0.518 -3.204 755 2HD PRO 103 1HD PRO 103 23.536 -1.407 -1.731 756 H ASN 104 H ASN 104 19.469 1.289 -0.760 757 HA ASN 104 HA ASN 104 19.622 4.119 -1.570 758 1HB ASN 104 2HB ASN 104 17.735 1.965 -2.556 759 2HB ASN 104 1HB ASN 104 17.487 3.683 -2.845 760 1HD2 ASN 104 1HD2 ASN 104 18.725 4.736 -4.341 761 2HD2 ASN 104 2HD2 ASN 104 19.788 3.913 -5.435 762 H ASP 105 H ASP 105 19.237 4.977 0.438 763 HA ASP 105 HA ASP 105 17.193 3.920 2.151 764 1HB ASP 105 2HB ASP 105 19.110 4.946 3.197 765 2HB ASP 105 1HB ASP 105 18.815 6.464 2.350 766 H ASP 106 H ASP 106 15.248 4.025 1.143 767 HA ASP 106 HA ASP 106 14.047 6.677 1.237 768 1HB ASP 106 2HB ASP 106 14.583 6.321 -1.137 769 2HB ASP 106 1HB ASP 106 13.701 4.799 -1.110 770 H LYS 107 H LYS 107 12.466 6.571 2.563 771 HA LYS 107 HA LYS 107 11.330 4.635 3.953 772 1HB LYS 107 2HB LYS 107 10.786 7.086 3.977 773 2HB LYS 107 1HB LYS 107 9.631 6.773 2.691 774 1HG LYS 107 2HG LYS 107 8.325 5.368 4.127 775 2HG LYS 107 1HG LYS 107 9.539 5.474 5.403 776 1HD LYS 107 2HD LYS 107 8.149 7.909 4.309 777 2HD LYS 107 1HD LYS 107 7.469 6.960 5.628 778 1HE LYS 107 2HE LYS 107 8.685 8.831 6.544 779 2HE LYS 107 1HE LYS 107 9.542 7.341 6.925 780 1HZ LYS 107 1HZ LYS 107 11.090 7.806 5.142 781 2HZ LYS 107 2HZ LYS 107 11.045 9.111 6.214 782 3HZ LYS 107 3HZ LYS 107 10.250 9.213 4.722 783 H CYS 108 H CYS 108 9.679 5.527 0.828 784 HA CYS 108 HA CYS 108 8.202 3.044 1.047 785 1HB CYS 108 2HB CYS 108 7.961 5.498 -0.614 786 2HB CYS 108 1HB CYS 108 7.258 4.006 -1.223 787 H MET 109 H MET 109 11.126 3.956 -0.438 788 HA MET 109 HA MET 109 10.925 2.422 -2.813 789 1HB MET 109 2HB MET 109 12.828 4.096 -1.692 790 2HB MET 109 1HB MET 109 13.612 2.525 -1.711 791 1HG MET 109 2HG MET 109 12.397 3.930 -4.077 792 2HG MET 109 1HG MET 109 14.115 3.804 -3.712 793 1HE MET 109 1HE MET 109 14.377 0.826 -2.681 794 2HE MET 109 2HE MET 109 15.497 1.549 -3.836 795 3HE MET 109 3HE MET 109 14.773 -0.022 -4.176 796 H LYS 110 H LYS 110 11.992 1.779 0.432 797 HA LYS 110 HA LYS 110 13.340 -0.668 -0.033 798 1HB LYS 110 2HB LYS 110 13.072 -0.942 2.483 799 2HB LYS 110 1HB LYS 110 13.906 0.510 1.944 800 1HG LYS 110 2HG LYS 110 12.074 1.882 2.447 801 2HG LYS 110 1HG LYS 110 10.968 0.511 2.546 802 1HD LYS 110 2HD LYS 110 11.487 1.388 4.756 803 2HD LYS 110 1HD LYS 110 12.092 -0.259 4.563 804 1HE LYS 110 2HE LYS 110 14.326 0.758 3.986 805 2HE LYS 110 1HE LYS 110 13.657 2.315 4.478 806 1HZ LYS 110 1HZ LYS 110 14.825 1.379 6.310 807 2HZ LYS 110 2HZ LYS 110 14.004 -0.102 6.162 808 3HZ LYS 110 3HZ LYS 110 13.167 1.287 6.663 809 H THR 111 H THR 111 10.178 0.031 1.351 810 HA THR 111 HA THR 111 9.318 -2.546 1.777 811 HB THR 111 HB THR 111 8.239 -0.589 2.723 812 HG1 THR 111 1HG THR 111 7.045 -2.733 1.980 813 1HG2 THR 111 1HG2 THR 111 6.990 -0.083 0.007 814 2HG2 THR 111 2HG2 THR 111 8.339 0.841 0.676 815 3HG2 THR 111 3HG2 THR 111 6.774 0.855 1.487 816 H ILE 112 H ILE 112 9.848 -1.095 -1.288 817 HA ILE 112 HA ILE 112 7.847 -2.814 -2.551 818 HB ILE 112 HB ILE 112 9.356 -0.474 -3.436 819 1HG1 ILE 112 2HG1 ILE 112 7.229 -0.100 -4.722 820 2HG1 ILE 112 1HG1 ILE 112 6.621 -1.576 -3.979 821 1HG2 ILE 112 1HG2 ILE 112 10.257 -2.049 -5.027 822 2HG2 ILE 112 2HG2 ILE 112 9.097 -0.995 -5.832 823 3HG2 ILE 112 3HG2 ILE 112 8.635 -2.638 -5.389 824 1HD1 ILE 112 1HD1 ILE 112 7.634 0.746 -2.381 825 2HD1 ILE 112 2HD1 ILE 112 6.672 -0.628 -1.829 826 3HD1 ILE 112 3HD1 ILE 112 5.949 0.586 -2.886 827 H ASP 113 H ASP 113 11.329 -2.274 -2.327 828 HA ASP 113 HA ASP 113 12.121 -4.341 -4.058 829 1HB ASP 113 2HB ASP 113 13.563 -2.473 -3.033 830 2HB ASP 113 1HB ASP 113 13.707 -3.520 -1.625 831 H VAL 114 H VAL 114 11.189 -4.349 -0.653 832 HA VAL 114 HA VAL 114 11.909 -7.121 -0.336 833 HB VAL 114 HB VAL 114 10.729 -6.970 1.858 834 1HG1 VAL 114 1HG1 VAL 114 12.811 -4.843 1.445 835 2HG1 VAL 114 2HG1 VAL 114 13.158 -6.568 1.565 836 3HG1 VAL 114 3HG1 VAL 114 12.452 -5.713 2.936 837 1HG2 VAL 114 1HG2 VAL 114 10.561 -4.087 1.187 838 2HG2 VAL 114 2HG2 VAL 114 10.099 -4.817 2.716 839 3HG2 VAL 114 3HG2 VAL 114 9.183 -5.171 1.245 840 H ALA 115 H ALA 115 8.958 -5.253 -0.906 841 HA ALA 115 HA ALA 115 7.108 -7.303 -0.475 842 1HB ALA 115 1HB ALA 115 6.705 -4.834 -0.826 843 2HB ALA 115 2HB ALA 115 5.536 -5.943 -1.549 844 3HB ALA 115 3HB ALA 115 6.764 -5.173 -2.556 845 H MET 116 H MET 116 8.605 -6.274 -3.565 846 HA MET 116 HA MET 116 7.377 -8.418 -4.950 847 1HB MET 116 2HB MET 116 8.820 -7.852 -6.864 848 2HB MET 116 1HB MET 116 7.943 -6.481 -6.225 849 1HG MET 116 2HG MET 116 10.112 -5.779 -6.854 850 2HG MET 116 1HG MET 116 10.022 -5.729 -5.105 851 1HE MET 116 1HE MET 116 12.717 -5.485 -5.163 852 2HE MET 116 2HE MET 116 12.715 -5.637 -6.918 853 3HE MET 116 3HE MET 116 13.778 -6.655 -5.949 854 H CYS 117 H CYS 117 10.273 -8.120 -3.108 855 HA CYS 117 HA CYS 117 11.612 -10.457 -4.000 856 1HB CYS 117 2HB CYS 117 12.630 -8.555 -2.704 857 2HB CYS 117 1HB CYS 117 11.765 -9.128 -1.285 858 H PHE 118 H PHE 118 8.941 -9.845 -1.923 859 HA PHE 118 HA PHE 118 9.080 -12.346 -0.548 860 1HB PHE 118 2HB PHE 118 8.026 -10.661 0.696 861 2HB PHE 118 1HB PHE 118 7.035 -10.138 -0.657 862 HD1 PHE 118 1HD PHE 118 7.567 -13.003 1.649 863 HD2 PHE 118 2HD PHE 118 4.856 -10.895 -0.860 864 HE1 PHE 118 1HE PHE 118 5.724 -14.413 2.463 865 HE2 PHE 118 2HE PHE 118 3.005 -12.300 -0.050 866 HZ PHE 118 HZ PHE 118 3.439 -14.062 1.614 867 H LYS 119 H LYS 119 6.964 -11.044 -3.167 868 HA LYS 119 HA LYS 119 5.748 -13.613 -3.405 869 1HB LYS 119 2HB LYS 119 4.299 -11.914 -3.991 870 2HB LYS 119 1HB LYS 119 5.423 -11.120 -5.049 871 1HG LYS 119 2HG LYS 119 4.353 -13.822 -5.699 872 2HG LYS 119 1HG LYS 119 3.435 -12.354 -6.025 873 1HD LYS 119 2HD LYS 119 6.207 -12.897 -7.067 874 2HD LYS 119 1HD LYS 119 4.720 -13.160 -7.983 875 1HE LYS 119 2HE LYS 119 4.237 -10.674 -7.399 876 2HE LYS 119 1HE LYS 119 5.973 -10.597 -7.079 877 1HZ LYS 119 1HZ LYS 119 5.312 -9.968 -9.380 878 2HZ LYS 119 2HZ LYS 119 4.805 -11.567 -9.634 879 3HZ LYS 119 3HZ LYS 119 6.438 -11.234 -9.315 880 H LYS 120 H LYS 120 8.636 -12.224 -4.929 881 HA LYS 120 HA LYS 120 9.024 -14.246 -6.831 882 1HB LYS 120 2HB LYS 120 10.656 -12.275 -5.529 883 2HB LYS 120 1HB LYS 120 11.507 -13.814 -5.537 884 1HG LYS 120 2HG LYS 120 12.155 -12.707 -7.505 885 2HG LYS 120 1HG LYS 120 10.994 -13.940 -8.008 886 1HD LYS 120 2HD LYS 120 10.456 -11.909 -9.157 887 2HD LYS 120 1HD LYS 120 9.223 -12.188 -7.926 888 1HE LYS 120 2HE LYS 120 9.807 -9.887 -7.842 889 2HE LYS 120 1HE LYS 120 10.471 -10.668 -6.417 890 1HZ LYS 120 1HZ LYS 120 11.921 -9.758 -8.830 891 2HZ LYS 120 2HZ LYS 120 12.609 -10.854 -7.736 892 3HZ LYS 120 3HZ LYS 120 12.173 -9.302 -7.219 893 H GLU 121 H GLU 121 10.112 -14.109 -3.453 894 HA GLU 121 HA GLU 121 11.003 -16.703 -3.209 895 1HB GLU 121 2HB GLU 121 11.250 -14.746 -1.600 896 2HB GLU 121 1HB GLU 121 9.656 -15.180 -0.993 897 1HG GLU 121 2HG GLU 121 11.311 -16.175 0.407 898 2HG GLU 121 1HG GLU 121 10.493 -17.424 -0.516 899 H ILE 122 H ILE 122 7.718 -15.477 -2.338 900 HA ILE 122 HA ILE 122 6.597 -17.850 -1.554 901 HB ILE 122 HB ILE 122 5.708 -15.300 -1.834 902 1HG1 ILE 122 2HG1 ILE 122 4.991 -17.036 -0.222 903 2HG1 ILE 122 1HG1 ILE 122 3.677 -16.051 -0.842 904 1HG2 ILE 122 1HG2 ILE 122 3.750 -16.703 -3.573 905 2HG2 ILE 122 2HG2 ILE 122 5.193 -16.010 -4.307 906 3HG2 ILE 122 3HG2 ILE 122 4.085 -14.981 -3.400 907 1HD1 ILE 122 1HD1 ILE 122 3.034 -17.862 -2.353 908 2HD1 ILE 122 2HD1 ILE 122 3.025 -18.381 -0.666 909 3HD1 ILE 122 3HD1 ILE 122 4.358 -18.844 -1.724 910 H HIS 123 H HIS 123 7.160 -16.684 -4.859 911 HA HIS 123 HA HIS 123 5.732 -18.791 -6.125 912 1HB HIS 123 2HB HIS 123 7.620 -16.686 -7.007 913 2HB HIS 123 1HB HIS 123 7.469 -18.099 -8.046 914 HD1 HIS 123 1HD HIS 123 5.942 -17.545 -9.894 915 HD2 HIS 123 2HD HIS 123 4.646 -15.937 -6.275 916 HE1 HIS 123 1HE HIS 123 3.754 -16.402 -10.400 917 HE2 HIS 123 2HE HIS 123 2.945 -15.504 -8.186 918 H LYS 124 H LYS 124 9.115 -18.526 -5.049 919 HA LYS 124 HA LYS 124 9.829 -21.055 -6.201 920 1HB LYS 124 2HB LYS 124 11.509 -19.283 -5.747 921 2HB LYS 124 1HB LYS 124 11.218 -19.476 -4.022 922 1HG LYS 124 2HG LYS 124 13.232 -20.650 -4.693 923 2HG LYS 124 1HG LYS 124 11.998 -21.790 -4.147 924 1HD LYS 124 2HD LYS 124 11.362 -22.018 -6.601 925 2HD LYS 124 1HD LYS 124 12.881 -21.192 -6.957 926 1HE LYS 124 2HE LYS 124 12.554 -23.779 -5.441 927 2HE LYS 124 1HE LYS 124 13.163 -23.602 -7.085 928 1HZ LYS 124 1HZ LYS 124 15.027 -22.314 -6.195 929 2HZ LYS 124 2HZ LYS 124 14.971 -23.877 -5.536 930 3HZ LYS 124 3HZ LYS 124 14.447 -22.554 -4.617 931 H LEU 125 H LEU 125 8.628 -19.876 -3.166 932 HA LEU 125 HA LEU 125 8.832 -22.308 -1.704 933 1HB LEU 125 2HB LEU 125 7.031 -19.921 -1.300 934 2HB LEU 125 1HB LEU 125 7.229 -21.227 -0.149 935 HG LEU 125 HG LEU 125 9.375 -19.291 -1.016 936 1HD1 LEU 125 1HD1 LEU 125 7.706 -18.276 0.437 937 2HD1 LEU 125 2HD1 LEU 125 9.239 -18.480 1.286 938 3HD1 LEU 125 3HD1 LEU 125 7.903 -19.589 1.597 939 1HD2 LEU 125 1HD2 LEU 125 10.315 -21.481 -0.551 940 2HD2 LEU 125 2HD2 LEU 125 9.458 -21.539 0.988 941 3HD2 LEU 125 3HD2 LEU 125 10.732 -20.346 0.735 942 H ASN 126 H ASN 126 7.260 -21.984 -4.426 943 HA ASN 126 HA ASN 126 4.612 -22.767 -4.081 944 1HB ASN 126 2HB ASN 126 5.996 -22.179 -6.225 945 2HB ASN 126 1HB ASN 126 6.357 -23.898 -6.258 946 1HD2 ASN 126 1HD2 ASN 126 4.928 -22.317 -8.188 947 2HD2 ASN 126 2HD2 ASN 126 3.344 -23.014 -8.319 948 H TRP 127 H TRP 127 3.648 -24.929 -4.148 949 HA TRP 127 HA TRP 127 5.121 -26.750 -2.499 950 1HB TRP 127 2HB TRP 127 3.100 -28.192 -2.630 951 2HB TRP 127 1HB TRP 127 2.757 -26.557 -2.090 952 HD1 TRP 127 HD TRP 127 1.855 -24.892 -4.268 953 HE1 TRP 127 1HE TRP 127 0.080 -25.516 -6.024 954 HE3 TRP 127 3HE TRP 127 2.014 -29.979 -3.804 955 HZ2 TRP 127 2HZ TRP 127 -1.110 -27.859 -7.055 956 HZ3 TRP 127 3HZ TRP 127 0.518 -31.337 -5.205 957 HH2 TRP 127 HH TRP 127 -1.011 -30.299 -6.796 958 H VAL 128 H VAL 128 6.893 -27.062 -3.889 959 HA VAL 128 HA VAL 128 6.386 -29.051 -5.998 960 HB VAL 128 HB VAL 128 8.474 -28.269 -7.090 961 1HG1 VAL 128 1HG1 VAL 128 6.325 -27.459 -7.875 962 2HG1 VAL 128 2HG1 VAL 128 7.548 -26.195 -8.010 963 3HG1 VAL 128 3HG1 VAL 128 6.369 -26.146 -6.699 964 1HG2 VAL 128 1HG2 VAL 128 8.346 -26.031 -5.069 965 2HG2 VAL 128 2HG2 VAL 128 9.439 -26.109 -6.452 966 3HG2 VAL 128 3HG2 VAL 128 9.578 -27.291 -5.149 967 HA PRO 129 HA PRO 129 8.947 -31.684 -3.512 968 1HB PRO 129 2HB PRO 129 9.161 -33.471 -5.787 969 2HB PRO 129 1HB PRO 129 8.237 -33.683 -4.299 970 1HG PRO 129 2HG PRO 129 7.078 -33.298 -6.730 971 2HG PRO 129 1HG PRO 129 6.331 -32.792 -5.204 972 1HD PRO 129 2HD PRO 129 7.842 -31.155 -7.208 973 2HD PRO 129 1HD PRO 129 6.351 -30.760 -6.322 974 H ASN 130 H ASN 130 10.985 -31.032 -3.173 975 HA ASN 130 HA ASN 130 12.842 -30.856 -5.431 976 1HB ASN 130 2HB ASN 130 12.763 -28.989 -3.781 977 2HB ASN 130 1HB ASN 130 13.244 -30.110 -2.515 978 1HD2 ASN 130 1HD2 ASN 130 15.120 -29.074 -2.003 979 2HD2 ASN 130 2HD2 ASN 130 16.493 -29.007 -3.065 980 H MET 131 H MET 131 15.177 -31.682 -4.687 981 HA MET 131 HA MET 131 14.848 -34.513 -4.268 982 1HB MET 131 2HB MET 131 17.258 -34.647 -4.667 983 2HB MET 131 1HB MET 131 16.460 -33.695 -5.909 984 1HG MET 131 2HG MET 131 17.225 -31.649 -4.887 985 2HG MET 131 1HG MET 131 17.938 -32.551 -3.551 986 1HE MET 131 1HE MET 131 18.129 -31.755 -7.401 987 2HE MET 131 2HE MET 131 17.939 -33.507 -7.373 988 3HE MET 131 3HE MET 131 19.462 -32.796 -7.906 989 H ASP 132 H ASP 132 14.733 -32.152 -2.106 990 HA ASP 132 HA ASP 132 16.410 -33.460 -0.106 991 1HB ASP 132 2HB ASP 132 16.012 -31.589 1.321 992 2HB ASP 132 1HB ASP 132 16.320 -30.932 -0.281 993 H LEU 133 H LEU 133 15.626 -34.872 1.295 994 HA LEU 133 HA LEU 133 12.701 -35.081 1.572 995 1HB LEU 133 2HB LEU 133 13.743 -37.007 0.430 996 2HB LEU 133 1HB LEU 133 14.773 -37.263 1.826 997 HG LEU 133 HG LEU 133 12.729 -37.683 3.193 998 1HD1 LEU 133 1HD1 LEU 133 10.625 -38.103 2.080 999 2HD1 LEU 133 2HD1 LEU 133 11.333 -37.683 0.523 1000 3HD1 LEU 133 3HD1 LEU 133 11.149 -36.450 1.770 1001 1HD2 LEU 133 1HD2 LEU 133 13.122 -39.461 0.791 1002 2HD2 LEU 133 2HD2 LEU 133 12.319 -39.922 2.292 1003 3HD2 LEU 133 3HD2 LEU 133 14.037 -39.527 2.298 1004 H VAL 134 H VAL 134 11.946 -34.609 3.506 1005 HA VAL 134 HA VAL 134 13.726 -34.931 5.829 1006 HB VAL 134 HB VAL 134 12.390 -33.062 6.907 1007 1HG1 VAL 134 1HG1 VAL 134 13.650 -31.291 5.774 1008 2HG1 VAL 134 2HG1 VAL 134 14.009 -32.398 4.450 1009 3HG1 VAL 134 3HG1 VAL 134 14.645 -32.717 6.064 1010 1HG2 VAL 134 1HG2 VAL 134 10.464 -33.079 5.403 1011 2HG2 VAL 134 2HG2 VAL 134 11.500 -32.587 4.062 1012 3HG2 VAL 134 3HG2 VAL 134 11.240 -31.495 5.422 1013 H ILE 135 H ILE 135 13.104 -36.603 6.983 1014 HA ILE 135 HA ILE 135 10.224 -37.219 7.099 1015 HB ILE 135 HB ILE 135 12.584 -39.081 7.444 1016 1HG1 ILE 135 2HG1 ILE 135 12.129 -38.607 5.101 1017 2HG1 ILE 135 1HG1 ILE 135 11.597 -40.238 5.477 1018 1HG2 ILE 135 1HG2 ILE 135 9.638 -39.669 7.708 1019 2HG2 ILE 135 2HG2 ILE 135 10.820 -39.666 9.015 1020 3HG2 ILE 135 3HG2 ILE 135 10.930 -40.869 7.731 1021 1HD1 ILE 135 1HD1 ILE 135 9.824 -37.818 5.247 1022 2HD1 ILE 135 2HD1 ILE 135 9.291 -39.460 5.618 1023 3HD1 ILE 135 3HD1 ILE 135 10.007 -39.097 4.045 1024 H GLY 136 H GLY 136 9.542 -36.138 8.850 1025 1HA GLY 136 2HA GLY 136 11.036 -36.136 11.323 1026 2HA GLY 136 1HA GLY 136 9.436 -35.452 11.064 1027 H GLU 137 H GLU 137 11.230 -38.218 12.054 1028 HA GLU 137 HA GLU 137 8.976 -39.992 12.050 1029 1HB GLU 137 2HB GLU 137 10.497 -41.568 13.282 1030 2HB GLU 137 1HB GLU 137 11.054 -41.062 11.700 1031 1HG GLU 137 2HG GLU 137 12.928 -41.140 13.155 1032 2HG GLU 137 1HG GLU 137 12.576 -39.440 12.825 1033 H VAL 138 H VAL 138 7.898 -40.855 13.839 1034 HA VAL 138 HA VAL 138 8.037 -39.172 16.253 1035 HB VAL 138 HB VAL 138 5.543 -40.323 14.985 1036 1HG1 VAL 138 1HG1 VAL 138 5.385 -40.277 17.413 1037 2HG1 VAL 138 2HG1 VAL 138 4.336 -39.051 16.703 1038 3HG1 VAL 138 3HG1 VAL 138 5.874 -38.584 17.428 1039 1HG2 VAL 138 1HG2 VAL 138 4.929 -37.973 14.583 1040 2HG2 VAL 138 2HG2 VAL 138 6.390 -38.437 13.714 1041 3HG2 VAL 138 3HG2 VAL 138 6.509 -37.471 15.183 1042 H LEU 139 H LEU 139 8.393 -40.249 18.068 1043 HA LEU 139 HA LEU 139 7.658 -43.098 18.182 1044 1HB LEU 139 2HB LEU 139 10.091 -42.841 17.883 1045 2HB LEU 139 1HB LEU 139 10.157 -41.827 19.311 1046 HG LEU 139 HG LEU 139 9.390 -43.764 20.671 1047 1HD1 LEU 139 1HD1 LEU 139 9.499 -46.005 19.679 1048 2HD1 LEU 139 2HD1 LEU 139 9.750 -45.280 18.092 1049 3HD1 LEU 139 3HD1 LEU 139 8.233 -45.018 18.950 1050 1HD2 LEU 139 1HD2 LEU 139 11.521 -44.964 20.601 1051 2HD2 LEU 139 2HD2 LEU 139 11.755 -43.219 20.502 1052 3HD2 LEU 139 3HD2 LEU 139 11.893 -44.209 19.050 1053 H ALA 140 H ALA 140 6.087 -43.294 19.621 1054 HA ALA 140 HA ALA 140 6.196 -41.646 22.060 1055 1HB ALA 140 1HB ALA 140 3.753 -41.583 22.052 1056 2HB ALA 140 2HB ALA 140 3.727 -42.512 20.553 1057 3HB ALA 140 3HB ALA 140 4.408 -40.886 20.571 1058 H GLU 141 H GLU 141 4.098 -42.861 23.425 1059 HA GLU 141 HA GLU 141 5.195 -45.563 23.810 1060 1HB GLU 141 2HB GLU 141 4.671 -45.416 26.139 1061 2HB GLU 141 1HB GLU 141 5.533 -43.951 25.703 1062 1HG GLU 141 2HG GLU 141 2.542 -44.151 25.968 1063 2HG GLU 141 1HG GLU 141 3.626 -43.597 27.241 1064 H VAL 142 H VAL 142 3.767 -47.268 24.219 1065 HA VAL 142 HA VAL 142 0.969 -46.719 23.479 1066 HB VAL 142 HB VAL 142 2.513 -49.282 23.031 1067 1HG1 VAL 142 1HG1 VAL 142 0.557 -49.997 21.758 1068 2HG1 VAL 142 2HG1 VAL 142 -0.270 -48.498 22.178 1069 3HG1 VAL 142 3HG1 VAL 142 0.138 -49.663 23.438 1070 1HG2 VAL 142 1HG2 VAL 142 3.284 -47.525 21.536 1071 2HG2 VAL 142 2HG2 VAL 142 1.622 -47.178 21.061 1072 3HG2 VAL 142 3HG2 VAL 142 2.353 -48.728 20.644 Start of MODEL 4 1 1H SER 1 1HT SER 1 -4.365 -16.828 -1.564 2 2H SER 1 2HT SER 1 -4.255 -15.137 -1.576 3 3H SER 1 3HT SER 1 -5.527 -15.910 -2.393 4 HA SER 1 HA SER 1 -6.420 -16.722 -0.327 5 1HB SER 1 2HB SER 1 -4.102 -15.182 0.872 6 2HB SER 1 1HB SER 1 -5.448 -15.842 1.801 7 HG SER 1 HG SER 1 -4.772 -17.858 1.405 8 HA PRO 2 HA PRO 2 -8.813 -12.995 -0.944 9 1HB PRO 2 2HB PRO 2 -10.395 -14.147 1.287 10 2HB PRO 2 1HB PRO 2 -10.921 -13.630 -0.319 11 1HG PRO 2 2HG PRO 2 -10.729 -16.216 0.282 12 2HG PRO 2 1HG PRO 2 -10.257 -15.614 -1.318 13 1HD PRO 2 2HD PRO 2 -8.533 -16.397 0.998 14 2HD PRO 2 1HD PRO 2 -8.291 -16.688 -0.737 15 H GLU 3 H GLU 3 -7.561 -14.108 2.126 16 HA GLU 3 HA GLU 3 -8.045 -12.019 3.817 17 1HB GLU 3 2HB GLU 3 -5.503 -13.616 3.495 18 2HB GLU 3 1HB GLU 3 -5.786 -12.506 4.826 19 1HG GLU 3 2HG GLU 3 -6.387 -14.483 5.787 20 2HG GLU 3 1HG GLU 3 -7.943 -13.935 5.177 21 H ILE 4 H ILE 4 -4.958 -12.188 1.983 22 HA ILE 4 HA ILE 4 -4.559 -9.396 2.275 23 HB ILE 4 HB ILE 4 -3.103 -11.542 0.753 24 1HG1 ILE 4 2HG1 ILE 4 -2.836 -11.668 3.133 25 2HG1 ILE 4 1HG1 ILE 4 -1.335 -11.080 2.434 26 1HG2 ILE 4 1HG2 ILE 4 -2.807 -9.492 -0.502 27 2HG2 ILE 4 2HG2 ILE 4 -1.305 -9.948 0.304 28 3HG2 ILE 4 3HG2 ILE 4 -2.302 -8.648 0.961 29 1HD1 ILE 4 1HD1 ILE 4 -3.429 -9.435 3.832 30 2HD1 ILE 4 2HD1 ILE 4 -1.992 -8.783 3.045 31 3HD1 ILE 4 3HD1 ILE 4 -1.826 -9.853 4.438 32 H MET 5 H MET 5 -6.275 -11.302 0.017 33 HA MET 5 HA MET 5 -6.048 -9.637 -2.267 34 1HB MET 5 2HB MET 5 -7.024 -12.081 -1.928 35 2HB MET 5 1HB MET 5 -8.532 -11.207 -1.708 36 1HG MET 5 2HG MET 5 -6.764 -10.961 -4.132 37 2HG MET 5 1HG MET 5 -8.162 -12.024 -4.014 38 1HE MET 5 1HE MET 5 -11.104 -9.453 -3.667 39 2HE MET 5 2HE MET 5 -10.219 -10.246 -2.362 40 3HE MET 5 3HE MET 5 -10.673 -11.157 -3.802 41 H LYS 6 H LYS 6 -8.344 -9.844 0.410 42 HA LYS 6 HA LYS 6 -9.818 -7.528 -0.462 43 1HB LYS 6 2HB LYS 6 -10.848 -9.455 0.777 44 2HB LYS 6 1HB LYS 6 -9.931 -8.974 2.197 45 1HG LYS 6 2HG LYS 6 -12.266 -8.215 2.253 46 2HG LYS 6 1HG LYS 6 -11.113 -6.880 2.308 47 1HD LYS 6 2HD LYS 6 -11.463 -6.441 -0.047 48 2HD LYS 6 1HD LYS 6 -12.532 -7.840 -0.176 49 1HE LYS 6 2HE LYS 6 -14.217 -6.816 1.073 50 2HE LYS 6 1HE LYS 6 -13.113 -5.620 1.754 51 1HZ LYS 6 1HZ LYS 6 -14.554 -4.657 0.075 52 2HZ LYS 6 2HZ LYS 6 -13.974 -5.749 -1.088 53 3HZ LYS 6 3HZ LYS 6 -12.930 -4.593 -0.412 54 H ASN 7 H ASN 7 -8.232 -5.960 -0.578 55 HA ASN 7 HA ASN 7 -6.336 -5.427 1.415 56 1HB ASN 7 2HB ASN 7 -6.260 -3.114 0.205 57 2HB ASN 7 1HB ASN 7 -5.711 -4.563 -0.624 58 1HD2 ASN 7 1HD2 ASN 7 -6.056 -3.648 -2.633 59 2HD2 ASN 7 2HD2 ASN 7 -7.637 -3.413 -3.284 60 H LEU 8 H LEU 8 -6.399 -4.432 3.254 61 HA LEU 8 HA LEU 8 -8.795 -3.627 4.452 62 1HB LEU 8 2HB LEU 8 -7.437 -2.879 6.331 63 2HB LEU 8 1HB LEU 8 -6.924 -4.452 5.761 64 HG LEU 8 HG LEU 8 -5.488 -1.930 4.951 65 1HD1 LEU 8 1HD1 LEU 8 -3.860 -2.549 6.764 66 2HD1 LEU 8 2HD1 LEU 8 -5.095 -3.634 7.398 67 3HD1 LEU 8 3HD1 LEU 8 -5.401 -1.900 7.324 68 1HD2 LEU 8 1HD2 LEU 8 -3.625 -3.459 4.568 69 2HD2 LEU 8 2HD2 LEU 8 -5.036 -3.944 3.626 70 3HD2 LEU 8 3HD2 LEU 8 -4.617 -4.817 5.101 71 H SER 9 H SER 9 -6.387 -1.814 2.694 72 HA SER 9 HA SER 9 -7.022 0.761 3.587 73 1HB SER 9 2HB SER 9 -6.146 0.049 0.784 74 2HB SER 9 1HB SER 9 -5.816 1.536 1.678 75 HG SER 9 HG SER 9 -4.022 0.073 1.657 76 H ASN 10 H ASN 10 -8.362 -1.182 0.941 77 HA ASN 10 HA ASN 10 -10.271 0.830 0.201 78 1HB ASN 10 2HB ASN 10 -9.892 -2.040 -0.625 79 2HB ASN 10 1HB ASN 10 -11.256 -1.076 -1.185 80 1HD2 ASN 10 1HD2 ASN 10 -10.913 0.561 -2.657 81 2HD2 ASN 10 2HD2 ASN 10 -9.415 0.775 -3.489 82 H ASN 11 H ASN 11 -10.142 -1.706 2.538 83 HA ASN 11 HA ASN 11 -12.934 -2.008 2.949 84 1HB ASN 11 2HB ASN 11 -10.633 -2.300 4.898 85 2HB ASN 11 1HB ASN 11 -12.301 -2.696 5.288 86 1HD2 ASN 11 1HD2 ASN 11 -10.108 -4.454 5.393 87 2HD2 ASN 11 2HD2 ASN 11 -10.391 -5.725 4.250 88 H PHE 12 H PHE 12 -10.527 -0.058 4.708 89 HA PHE 12 HA PHE 12 -12.282 1.669 5.998 90 1HB PHE 12 2HB PHE 12 -9.518 2.211 4.902 91 2HB PHE 12 1HB PHE 12 -10.396 3.337 5.932 92 HD1 PHE 12 1HD PHE 12 -11.001 2.630 8.260 93 HD2 PHE 12 2HD PHE 12 -8.339 0.390 5.811 94 HE1 PHE 12 1HE PHE 12 -10.137 1.482 10.256 95 HE2 PHE 12 2HE PHE 12 -7.472 -0.765 7.804 96 HZ PHE 12 HZ PHE 12 -8.372 -0.220 10.029 97 H GLY 13 H GLY 13 -10.380 3.032 3.288 98 1HA GLY 13 2HA GLY 13 -10.977 4.513 1.652 99 2HA GLY 13 1HA GLY 13 -12.359 3.457 1.431 100 H LYS 14 H LYS 14 -11.765 5.392 4.335 101 HA LYS 14 HA LYS 14 -14.339 6.455 4.398 102 1HB LYS 14 2HB LYS 14 -12.914 6.352 6.378 103 2HB LYS 14 1HB LYS 14 -11.810 7.523 5.666 104 1HG LYS 14 2HG LYS 14 -13.532 9.228 5.736 105 2HG LYS 14 1HG LYS 14 -14.687 8.059 6.380 106 1HD LYS 14 2HD LYS 14 -13.305 7.787 8.375 107 2HD LYS 14 1HD LYS 14 -12.135 8.941 7.727 108 1HE LYS 14 2HE LYS 14 -13.795 10.702 7.778 109 2HE LYS 14 1HE LYS 14 -15.030 9.561 8.306 110 1HZ LYS 14 1HZ LYS 14 -14.167 10.867 10.149 111 2HZ LYS 14 2HZ LYS 14 -12.599 10.303 9.847 112 3HZ LYS 14 3HZ LYS 14 -13.806 9.225 10.355 113 H ALA 15 H ALA 15 -11.306 8.109 3.481 114 HA ALA 15 HA ALA 15 -12.824 9.801 1.653 115 1HB ALA 15 1HB ALA 15 -11.888 11.856 2.539 116 2HB ALA 15 2HB ALA 15 -11.027 10.951 3.786 117 3HB ALA 15 3HB ALA 15 -12.790 11.008 3.795 118 H MET 16 H MET 16 -11.815 9.387 -0.215 119 HA MET 16 HA MET 16 -9.096 8.541 -0.343 120 1HB MET 16 2HB MET 16 -10.947 9.444 -2.557 121 2HB MET 16 1HB MET 16 -9.397 8.649 -2.795 122 1HG MET 16 2HG MET 16 -10.261 6.675 -1.605 123 2HG MET 16 1HG MET 16 -11.825 7.474 -1.464 124 1HE MET 16 1HE MET 16 -11.871 9.001 -4.338 125 2HE MET 16 2HE MET 16 -13.274 8.227 -3.602 126 3HE MET 16 3HE MET 16 -12.826 7.842 -5.265 127 H ASP 17 H ASP 17 -10.745 11.598 -0.724 128 HA ASP 17 HA ASP 17 -8.707 12.982 -2.085 129 1HB ASP 17 2HB ASP 17 -11.020 13.799 -1.974 130 2HB ASP 17 1HB ASP 17 -10.818 14.124 -0.256 131 H GLN 18 H GLN 18 -8.963 12.065 1.220 132 HA GLN 18 HA GLN 18 -7.220 14.181 2.158 133 1HB GLN 18 2HB GLN 18 -7.549 13.326 4.336 134 2HB GLN 18 1HB GLN 18 -9.091 13.098 3.526 135 1HG GLN 18 2HG GLN 18 -8.404 10.735 3.069 136 2HG GLN 18 1HG GLN 18 -6.999 11.016 4.095 137 1HE2 GLN 18 1HE2 GLN 18 -8.514 12.762 5.914 138 2HE2 GLN 18 2HE2 GLN 18 -9.486 11.691 6.865 139 H CYS 19 H CYS 19 -6.958 10.844 1.148 140 HA CYS 19 HA CYS 19 -4.238 10.572 1.999 141 1HB CYS 19 2HB CYS 19 -5.393 8.521 1.694 142 2HB CYS 19 1HB CYS 19 -5.961 8.978 0.095 143 H LYS 20 H LYS 20 -5.930 11.652 -0.840 144 HA LYS 20 HA LYS 20 -3.825 11.710 -2.674 145 1HB LYS 20 2HB LYS 20 -6.523 12.208 -2.723 146 2HB LYS 20 1HB LYS 20 -5.855 13.820 -2.942 147 1HG LYS 20 2HG LYS 20 -5.215 11.408 -4.620 148 2HG LYS 20 1HG LYS 20 -6.283 12.737 -5.074 149 1HD LYS 20 2HD LYS 20 -3.390 13.118 -4.353 150 2HD LYS 20 1HD LYS 20 -3.942 12.825 -5.993 151 1HE LYS 20 2HE LYS 20 -4.769 15.122 -4.226 152 2HE LYS 20 1HE LYS 20 -3.639 15.214 -5.576 153 1HZ LYS 20 1HZ LYS 20 -6.512 14.472 -5.788 154 2HZ LYS 20 2HZ LYS 20 -5.419 14.616 -7.078 155 3HZ LYS 20 3HZ LYS 20 -5.856 15.986 -6.181 156 H ASP 21 H ASP 21 -5.101 14.245 -0.509 157 HA ASP 21 HA ASP 21 -3.189 16.158 -1.451 158 1HB ASP 21 2HB ASP 21 -5.440 16.782 -0.563 159 2HB ASP 21 1HB ASP 21 -4.885 16.336 1.046 160 H GLU 22 H GLU 22 -3.487 14.177 1.493 161 HA GLU 22 HA GLU 22 -1.273 15.283 2.834 162 1HB GLU 22 2HB GLU 22 -2.942 13.995 4.000 163 2HB GLU 22 1HB GLU 22 -2.565 12.568 3.067 164 1HG GLU 22 2HG GLU 22 -1.557 12.202 5.124 165 2HG GLU 22 1HG GLU 22 -0.235 12.721 4.084 166 H LEU 23 H LEU 23 -1.504 12.479 0.644 167 HA LEU 23 HA LEU 23 1.328 11.922 0.795 168 1HB LEU 23 2HB LEU 23 -0.913 10.955 -0.952 169 2HB LEU 23 1HB LEU 23 0.742 10.598 -1.364 170 HG LEU 23 HG LEU 23 -0.506 8.781 -0.204 171 1HD1 LEU 23 1HD1 LEU 23 1.347 7.977 0.878 172 2HD1 LEU 23 2HD1 LEU 23 1.820 9.568 1.485 173 3HD1 LEU 23 3HD1 LEU 23 2.049 9.168 -0.217 174 1HD2 LEU 23 1HD2 LEU 23 -1.654 10.334 1.350 175 2HD2 LEU 23 2HD2 LEU 23 -0.148 10.450 2.260 176 3HD2 LEU 23 3HD2 LEU 23 -0.970 8.895 2.102 177 H SER 24 H SER 24 -0.752 13.973 -0.936 178 HA SER 24 HA SER 24 -0.544 15.428 -2.649 179 1HB SER 24 2HB SER 24 2.414 15.145 -2.082 180 2HB SER 24 1HB SER 24 1.678 16.417 -3.058 181 HG SER 24 HG SER 24 0.537 16.126 -0.573 182 H LEU 25 H LEU 25 -1.099 12.959 -3.463 183 HA LEU 25 HA LEU 25 0.693 11.728 -5.236 184 1HB LEU 25 2HB LEU 25 -2.316 11.715 -5.217 185 2HB LEU 25 1HB LEU 25 -1.361 10.756 -6.324 186 HG LEU 25 HG LEU 25 -1.824 9.196 -4.731 187 1HD1 LEU 25 1HD1 LEU 25 0.568 10.454 -3.448 188 2HD1 LEU 25 2HD1 LEU 25 0.631 9.484 -4.921 189 3HD1 LEU 25 3HD1 LEU 25 0.093 8.757 -3.406 190 1HD2 LEU 25 1HD2 LEU 25 -1.787 9.739 -2.259 191 2HD2 LEU 25 2HD2 LEU 25 -3.124 10.395 -3.207 192 3HD2 LEU 25 3HD2 LEU 25 -1.774 11.433 -2.746 193 HA PRO 26 HA PRO 26 0.291 14.499 -8.788 194 1HB PRO 26 2HB PRO 26 1.807 12.498 -10.249 195 2HB PRO 26 1HB PRO 26 2.279 14.143 -9.823 196 1HG PRO 26 2HG PRO 26 3.424 11.922 -8.739 197 2HG PRO 26 1HG PRO 26 3.327 13.482 -7.903 198 1HD PRO 26 2HD PRO 26 1.653 11.039 -7.549 199 2HD PRO 26 1HD PRO 26 2.250 12.166 -6.341 200 H ASP 27 H ASP 27 -0.833 14.303 -10.826 201 HA ASP 27 HA ASP 27 -2.973 12.453 -10.689 202 1HB ASP 27 2HB ASP 27 -3.911 13.534 -12.508 203 2HB ASP 27 1HB ASP 27 -2.921 14.799 -11.792 204 H SER 28 H SER 28 0.080 12.405 -12.334 205 HA SER 28 HA SER 28 -0.434 10.341 -14.166 206 1HB SER 28 2HB SER 28 2.192 10.759 -12.733 207 2HB SER 28 1HB SER 28 1.928 10.176 -14.378 208 HG SER 28 HG SER 28 1.210 12.241 -14.959 209 H VAL 29 H VAL 29 0.507 10.325 -10.770 210 HA VAL 29 HA VAL 29 0.925 7.498 -10.678 211 HB VAL 29 HB VAL 29 0.618 9.382 -8.351 212 1HG1 VAL 29 1HG1 VAL 29 2.143 7.604 -7.325 213 2HG1 VAL 29 2HG1 VAL 29 1.661 6.588 -8.681 214 3HG1 VAL 29 3HG1 VAL 29 0.447 7.190 -7.553 215 1HG2 VAL 29 1HG2 VAL 29 3.111 8.566 -9.844 216 2HG2 VAL 29 2HG2 VAL 29 3.059 9.535 -8.371 217 3HG2 VAL 29 3HG2 VAL 29 2.369 10.166 -9.867 218 H VAL 30 H VAL 30 -1.663 9.705 -9.543 219 HA VAL 30 HA VAL 30 -3.233 7.780 -8.264 220 HB VAL 30 HB VAL 30 -5.169 9.200 -8.591 221 1HG1 VAL 30 1HG1 VAL 30 -4.271 11.315 -7.675 222 2HG1 VAL 30 2HG1 VAL 30 -2.643 10.725 -8.009 223 3HG1 VAL 30 3HG1 VAL 30 -3.676 9.871 -6.861 224 1HG2 VAL 30 1HG2 VAL 30 -5.069 11.259 -9.911 225 2HG2 VAL 30 2HG2 VAL 30 -4.884 9.821 -10.918 226 3HG2 VAL 30 3HG2 VAL 30 -3.473 10.796 -10.506 227 H ALA 31 H ALA 31 -2.975 8.646 -11.660 228 HA ALA 31 HA ALA 31 -5.093 7.082 -12.658 229 1HB ALA 31 1HB ALA 31 -2.519 7.803 -14.030 230 2HB ALA 31 2HB ALA 31 -3.920 8.870 -13.898 231 3HB ALA 31 3HB ALA 31 -4.040 7.362 -14.810 232 H ASP 32 H ASP 32 -1.586 6.371 -12.504 233 HA ASP 32 HA ASP 32 -1.810 3.721 -13.467 234 1HB ASP 32 2HB ASP 32 0.301 5.253 -11.997 235 2HB ASP 32 1HB ASP 32 0.452 3.504 -12.111 236 H LEU 33 H LEU 33 -1.919 5.126 -10.276 237 HA LEU 33 HA LEU 33 -1.810 2.802 -8.735 238 1HB LEU 33 2HB LEU 33 -1.483 4.743 -7.569 239 2HB LEU 33 1HB LEU 33 -2.788 5.580 -8.374 240 HG LEU 33 HG LEU 33 -3.613 3.404 -6.544 241 1HD1 LEU 33 1HD1 LEU 33 -2.356 5.978 -5.611 242 2HD1 LEU 33 2HD1 LEU 33 -1.797 4.340 -5.256 243 3HD1 LEU 33 3HD1 LEU 33 -3.331 4.913 -4.596 244 1HD2 LEU 33 1HD2 LEU 33 -4.473 6.188 -7.246 245 2HD2 LEU 33 2HD2 LEU 33 -5.188 5.290 -5.904 246 3HD2 LEU 33 3HD2 LEU 33 -5.319 4.671 -7.550 247 H TYR 34 H TYR 34 -4.655 4.471 -10.109 248 HA TYR 34 HA TYR 34 -6.462 2.549 -9.006 249 1HB TYR 34 2HB TYR 34 -6.806 4.778 -10.983 250 2HB TYR 34 1HB TYR 34 -8.127 3.678 -10.589 251 HD1 TYR 34 1HD TYR 34 -8.140 3.248 -7.851 252 HD2 TYR 34 2HD TYR 34 -6.981 6.804 -9.876 253 HE1 TYR 34 1HE TYR 34 -8.618 4.548 -5.823 254 HE2 TYR 34 2HE TYR 34 -7.457 8.118 -7.851 255 HH TYR 34 HH TYR 34 -7.817 6.732 -4.841 256 H ASN 35 H ASN 35 -4.303 1.705 -11.241 257 HA ASN 35 HA ASN 35 -5.917 0.721 -13.351 258 1HB ASN 35 2HB ASN 35 -4.003 -0.438 -14.139 259 2HB ASN 35 1HB ASN 35 -3.419 1.080 -13.477 260 1HD2 ASN 35 1HD2 ASN 35 -2.150 -1.539 -13.963 261 2HD2 ASN 35 2HD2 ASN 35 -1.448 -1.999 -12.447 262 H PHE 36 H PHE 36 -7.069 -1.094 -13.544 263 HA PHE 36 HA PHE 36 -7.331 -2.768 -11.176 264 1HB PHE 36 2HB PHE 36 -8.927 -2.804 -13.749 265 2HB PHE 36 1HB PHE 36 -9.330 -3.657 -12.262 266 HD1 PHE 36 1HD PHE 36 -9.813 -2.274 -10.187 267 HD2 PHE 36 2HD PHE 36 -9.641 -0.621 -14.104 268 HE1 PHE 36 1HE PHE 36 -11.087 -0.315 -9.413 269 HE2 PHE 36 2HE PHE 36 -10.912 1.340 -13.337 270 HZ PHE 36 HZ PHE 36 -11.636 1.495 -10.989 271 H TRP 37 H TRP 37 -5.515 -2.786 -13.942 272 HA TRP 37 HA TRP 37 -5.632 -5.659 -14.386 273 1HB TRP 37 2HB TRP 37 -3.886 -3.638 -15.798 274 2HB TRP 37 1HB TRP 37 -4.295 -5.264 -16.339 275 HD1 TRP 37 HD TRP 37 -6.776 -5.637 -17.336 276 HE1 TRP 37 1HE TRP 37 -8.486 -3.980 -18.329 277 HE3 TRP 37 3HE TRP 37 -4.751 -1.268 -15.620 278 HZ2 TRP 37 2HZ TRP 37 -8.900 -1.190 -18.379 279 HZ3 TRP 37 3HZ TRP 37 -5.863 0.850 -16.187 280 HH2 TRP 37 HH TRP 37 -7.894 0.887 -17.538 281 H LYS 38 H LYS 38 -4.593 -6.768 -12.890 282 HA LYS 38 HA LYS 38 -2.134 -5.741 -11.721 283 1HB LYS 38 2HB LYS 38 -3.843 -8.141 -11.046 284 2HB LYS 38 1HB LYS 38 -2.395 -7.671 -10.162 285 1HG LYS 38 2HG LYS 38 -3.404 -5.644 -9.436 286 2HG LYS 38 1HG LYS 38 -4.772 -5.865 -10.521 287 1HD LYS 38 2HD LYS 38 -4.144 -7.838 -8.345 288 2HD LYS 38 1HD LYS 38 -5.132 -6.406 -8.050 289 1HE LYS 38 2HE LYS 38 -6.649 -7.126 -9.866 290 2HE LYS 38 1HE LYS 38 -5.686 -8.592 -10.053 291 1HZ LYS 38 1HZ LYS 38 -6.901 -7.867 -7.451 292 2HZ LYS 38 2HZ LYS 38 -6.364 -9.390 -7.985 293 3HZ LYS 38 3HZ LYS 38 -7.777 -8.713 -8.630 294 H ASP 39 H ASP 39 -1.282 -6.044 -14.014 295 HA ASP 39 HA ASP 39 -0.733 -8.567 -15.100 296 1HB ASP 39 2HB ASP 39 0.910 -6.056 -15.413 297 2HB ASP 39 1HB ASP 39 0.914 -7.444 -16.492 298 H ASP 40 H ASP 40 0.326 -8.205 -12.109 299 HA ASP 40 HA ASP 40 2.205 -8.510 -10.863 300 1HB ASP 40 2HB ASP 40 1.879 -10.777 -11.975 301 2HB ASP 40 1HB ASP 40 3.132 -10.300 -13.113 302 H TYR 41 H TYR 41 2.700 -6.262 -11.386 303 HA TYR 41 HA TYR 41 5.069 -5.983 -13.106 304 1HB TYR 41 2HB TYR 41 4.327 -3.530 -13.183 305 2HB TYR 41 1HB TYR 41 3.346 -4.683 -14.083 306 HD1 TYR 41 1HD TYR 41 1.086 -5.160 -13.434 307 HD2 TYR 41 2HD TYR 41 3.490 -2.552 -11.085 308 HE1 TYR 41 1HE TYR 41 -0.911 -4.445 -12.199 309 HE2 TYR 41 2HE TYR 41 1.492 -1.828 -9.840 310 HH TYR 41 HH TYR 41 -0.988 -1.745 -10.210 311 H VAL 42 H VAL 42 6.687 -4.479 -12.387 312 HA VAL 42 HA VAL 42 6.973 -4.442 -9.501 313 HB VAL 42 HB VAL 42 8.848 -3.424 -11.648 314 1HG1 VAL 42 1HG1 VAL 42 9.300 -3.857 -8.696 315 2HG1 VAL 42 2HG1 VAL 42 9.226 -2.301 -9.524 316 3HG1 VAL 42 3HG1 VAL 42 10.542 -3.423 -9.870 317 1HG2 VAL 42 1HG2 VAL 42 8.539 -5.824 -11.801 318 2HG2 VAL 42 2HG2 VAL 42 8.862 -5.997 -10.075 319 3HG2 VAL 42 3HG2 VAL 42 10.143 -5.461 -11.161 320 H MET 43 H MET 43 6.127 -2.861 -8.353 321 HA MET 43 HA MET 43 5.228 -0.410 -9.492 322 1HB MET 43 2HB MET 43 4.167 -1.448 -7.513 323 2HB MET 43 1HB MET 43 5.624 -1.114 -6.581 324 1HG MET 43 2HG MET 43 4.007 0.571 -6.111 325 2HG MET 43 1HG MET 43 5.310 1.294 -7.026 326 1HE MET 43 1HE MET 43 1.601 0.061 -7.081 327 2HE MET 43 2HE MET 43 2.340 -0.987 -8.288 328 3HE MET 43 3HE MET 43 1.174 0.240 -8.782 329 H THR 44 H THR 44 6.764 0.953 -10.290 330 HA THR 44 HA THR 44 9.116 1.366 -8.634 331 HB THR 44 HB THR 44 9.875 2.706 -10.733 332 HG1 THR 44 1HG THR 44 8.235 2.808 -12.097 333 1HG2 THR 44 1HG2 THR 44 9.530 -0.297 -10.844 334 2HG2 THR 44 2HG2 THR 44 10.846 0.564 -10.046 335 3HG2 THR 44 3HG2 THR 44 10.673 0.647 -11.798 336 H ASP 45 H ASP 45 6.163 2.906 -9.169 337 HA ASP 45 HA ASP 45 7.258 5.559 -8.621 338 1HB ASP 45 2HB ASP 45 5.230 5.141 -10.174 339 2HB ASP 45 1HB ASP 45 4.322 4.930 -8.684 340 H ARG 46 H ARG 46 7.285 6.513 -6.706 341 HA ARG 46 HA ARG 46 7.012 4.665 -4.504 342 1HB ARG 46 2HB ARG 46 8.112 7.497 -4.543 343 2HB ARG 46 1HB ARG 46 8.085 6.449 -3.133 344 1HG ARG 46 2HG ARG 46 10.258 6.312 -4.017 345 2HG ARG 46 1HG ARG 46 9.470 4.804 -4.482 346 1HD ARG 46 2HD ARG 46 10.457 5.399 -6.470 347 2HD ARG 46 1HD ARG 46 8.887 6.179 -6.644 348 HE ARG 46 HE ARG 46 9.888 8.269 -6.260 349 1HH1 ARG 46 1HH1 ARG 46 12.195 5.643 -6.325 350 2HH1 ARG 46 2HH1 ARG 46 13.581 6.684 -6.392 351 1HH2 ARG 46 1HH2 ARG 46 11.718 9.657 -6.389 352 2HH2 ARG 46 2HH2 ARG 46 13.309 8.954 -6.456 353 H LEU 47 H LEU 47 5.124 7.151 -5.907 354 HA LEU 47 HA LEU 47 3.740 7.835 -3.488 355 1HB LEU 47 2HB LEU 47 3.374 8.504 -6.385 356 2HB LEU 47 1HB LEU 47 2.021 8.705 -5.289 357 HG LEU 47 HG LEU 47 3.113 10.804 -5.514 358 1HD1 LEU 47 1HD1 LEU 47 2.348 10.041 -3.252 359 2HD1 LEU 47 2HD1 LEU 47 3.556 11.336 -3.252 360 3HD1 LEU 47 3HD1 LEU 47 4.040 9.679 -2.885 361 1HD2 LEU 47 1HD2 LEU 47 5.260 9.928 -6.338 362 2HD2 LEU 47 2HD2 LEU 47 5.680 9.460 -4.686 363 3HD2 LEU 47 3HD2 LEU 47 5.455 11.162 -5.092 364 H ALA 48 H ALA 48 3.663 5.223 -5.666 365 HA ALA 48 HA ALA 48 0.837 4.708 -5.280 366 1HB ALA 48 1HB ALA 48 2.129 4.279 -7.433 367 2HB ALA 48 2HB ALA 48 1.049 3.009 -6.867 368 3HB ALA 48 3HB ALA 48 2.790 2.868 -6.614 369 H GLY 49 H GLY 49 3.803 2.767 -4.891 370 1HA GLY 49 2HA GLY 49 3.221 1.008 -2.959 371 2HA GLY 49 1HA GLY 49 4.707 1.938 -2.907 372 H CYS 50 H CYS 50 3.856 4.474 -2.098 373 HA CYS 50 HA CYS 50 3.365 4.108 0.642 374 1HB CYS 50 2HB CYS 50 3.469 6.461 -1.202 375 2HB CYS 50 1HB CYS 50 2.808 6.691 0.401 376 H ALA 51 H ALA 51 1.214 5.182 -1.976 377 HA ALA 51 HA ALA 51 -1.036 5.535 -0.280 378 1HB ALA 51 1HB ALA 51 -0.755 6.751 -2.388 379 2HB ALA 51 2HB ALA 51 -2.298 5.900 -2.305 380 3HB ALA 51 3HB ALA 51 -0.979 5.243 -3.274 381 H ILE 52 H ILE 52 0.399 2.700 -1.319 382 HA ILE 52 HA ILE 52 -1.813 1.013 -1.683 383 HB ILE 52 HB ILE 52 0.857 0.428 -0.390 384 1HG1 ILE 52 2HG1 ILE 52 1.020 1.053 -2.733 385 2HG1 ILE 52 1HG1 ILE 52 1.351 -0.665 -2.549 386 1HG2 ILE 52 1HG2 ILE 52 -1.270 -1.526 -1.250 387 2HG2 ILE 52 2HG2 ILE 52 -0.776 -1.187 0.408 388 3HG2 ILE 52 3HG2 ILE 52 0.356 -1.948 -0.710 389 1HD1 ILE 52 1HD1 ILE 52 -1.239 0.540 -3.498 390 2HD1 ILE 52 2HD1 ILE 52 -0.906 -1.183 -3.321 391 3HD1 ILE 52 3HD1 ILE 52 -0.014 -0.228 -4.507 392 H ASN 53 H ASN 53 -0.309 2.327 1.219 393 HA ASN 53 HA ASN 53 -2.814 1.830 2.621 394 1HB ASN 53 2HB ASN 53 -1.221 -0.070 3.205 395 2HB ASN 53 1HB ASN 53 -0.196 1.140 3.972 396 1HD2 ASN 53 1HD2 ASN 53 -1.470 -1.092 5.230 397 2HD2 ASN 53 2HD2 ASN 53 -2.543 -0.459 6.425 398 H CYS 54 H CYS 54 -3.033 4.060 2.271 399 HA CYS 54 HA CYS 54 -1.148 5.742 3.774 400 1HB CYS 54 2HB CYS 54 -2.063 7.611 2.399 401 2HB CYS 54 1HB CYS 54 -1.270 6.357 1.448 402 H LEU 55 H LEU 55 -4.581 5.177 3.159 403 HA LEU 55 HA LEU 55 -5.560 7.250 4.790 404 1HB LEU 55 2HB LEU 55 -6.754 5.955 2.949 405 2HB LEU 55 1HB LEU 55 -7.020 4.698 4.139 406 HG LEU 55 HG LEU 55 -7.946 7.505 4.671 407 1HD1 LEU 55 1HD1 LEU 55 -8.819 6.888 2.471 408 2HD1 LEU 55 2HD1 LEU 55 -10.100 6.942 3.682 409 3HD1 LEU 55 3HD1 LEU 55 -9.458 5.389 3.145 410 1HD2 LEU 55 1HD2 LEU 55 -7.994 5.911 6.521 411 2HD2 LEU 55 2HD2 LEU 55 -8.946 4.792 5.544 412 3HD2 LEU 55 3HD2 LEU 55 -9.628 6.347 6.022 413 H ALA 56 H ALA 56 -4.945 3.821 5.458 414 HA ALA 56 HA ALA 56 -6.146 4.013 8.075 415 1HB ALA 56 1HB ALA 56 -5.510 1.666 8.307 416 2HB ALA 56 2HB ALA 56 -4.584 1.764 6.809 417 3HB ALA 56 3HB ALA 56 -6.338 1.952 6.776 418 H THR 57 H THR 57 -3.088 4.538 6.698 419 HA THR 57 HA THR 57 -1.592 4.186 9.121 420 HB THR 57 HB THR 57 -0.797 5.634 6.594 421 HG1 THR 57 1HG THR 57 -0.474 3.703 5.771 422 1HG2 THR 57 1HG2 THR 57 0.630 4.804 9.050 423 2HG2 THR 57 2HG2 THR 57 0.758 6.310 8.145 424 3HG2 THR 57 3HG2 THR 57 1.503 4.835 7.522 425 H LYS 58 H LYS 58 -3.209 6.813 7.445 426 HA LYS 58 HA LYS 58 -2.204 8.816 9.266 427 1HB LYS 58 2HB LYS 58 -4.492 9.058 7.310 428 2HB LYS 58 1HB LYS 58 -3.615 10.374 8.072 429 1HG LYS 58 2HG LYS 58 -2.376 8.418 6.147 430 2HG LYS 58 1HG LYS 58 -3.055 9.971 5.674 431 1HD LYS 58 2HD LYS 58 -0.588 9.408 7.299 432 2HD LYS 58 1HD LYS 58 -0.770 10.377 5.848 433 1HE LYS 58 2HE LYS 58 -2.057 12.038 7.100 434 2HE LYS 58 1HE LYS 58 -1.855 11.084 8.569 435 1HZ LYS 58 1HZ LYS 58 -0.257 13.048 8.058 436 2HZ LYS 58 2HZ LYS 58 0.521 11.927 7.055 437 3HZ LYS 58 3HZ LYS 58 0.362 11.609 8.712 438 H LEU 59 H LEU 59 -4.856 6.606 9.220 439 HA LEU 59 HA LEU 59 -6.470 7.918 11.131 440 1HB LEU 59 2HB LEU 59 -6.065 4.968 10.688 441 2HB LEU 59 1HB LEU 59 -7.346 5.688 11.644 442 HG LEU 59 HG LEU 59 -7.013 5.645 8.670 443 1HD1 LEU 59 1HD1 LEU 59 -9.286 5.145 10.555 444 2HD1 LEU 59 2HD1 LEU 59 -8.317 3.912 9.745 445 3HD1 LEU 59 3HD1 LEU 59 -9.366 4.976 8.801 446 1HD2 LEU 59 1HD2 LEU 59 -7.368 7.963 8.985 447 2HD2 LEU 59 2HD2 LEU 59 -8.543 7.686 10.271 448 3HD2 LEU 59 3HD2 LEU 59 -8.948 7.280 8.602 449 H ASP 60 H ASP 60 -4.295 5.140 11.691 450 HA ASP 60 HA ASP 60 -2.750 6.325 13.689 451 1HB ASP 60 2HB ASP 60 -5.010 6.227 14.902 452 2HB ASP 60 1HB ASP 60 -4.806 4.479 14.910 453 H VAL 61 H VAL 61 -0.974 5.117 13.815 454 HA VAL 61 HA VAL 61 -0.943 2.300 14.017 455 HB VAL 61 HB VAL 61 -1.608 2.555 11.610 456 1HG1 VAL 61 1HG1 VAL 61 -0.390 4.559 11.056 457 2HG1 VAL 61 2HG1 VAL 61 0.097 3.243 9.987 458 3HG1 VAL 61 3HG1 VAL 61 1.147 3.732 11.318 459 1HG2 VAL 61 1HG2 VAL 61 0.261 1.036 10.736 460 2HG2 VAL 61 2HG2 VAL 61 -0.682 0.485 12.119 461 3HG2 VAL 61 3HG2 VAL 61 0.931 1.155 12.363 462 H VAL 62 H VAL 62 0.213 4.595 15.288 463 HA VAL 62 HA VAL 62 3.017 4.454 14.439 464 HB VAL 62 HB VAL 62 3.389 6.548 15.615 465 1HG1 VAL 62 1HG1 VAL 62 2.038 8.012 14.197 466 2HG1 VAL 62 2HG1 VAL 62 0.996 6.648 13.793 467 3HG1 VAL 62 3HG1 VAL 62 2.690 6.641 13.301 468 1HG2 VAL 62 1HG2 VAL 62 1.786 6.311 17.442 469 2HG2 VAL 62 2HG2 VAL 62 0.448 6.462 16.301 470 3HG2 VAL 62 3HG2 VAL 62 1.530 7.828 16.579 471 H ASP 63 H ASP 63 4.335 3.192 15.562 472 HA ASP 63 HA ASP 63 3.764 2.222 18.156 473 1HB ASP 63 2HB ASP 63 5.405 1.370 16.219 474 2HB ASP 63 1HB ASP 63 6.579 2.244 17.189 475 HA PRO 64 HA PRO 64 6.922 5.250 19.864 476 1HB PRO 64 2HB PRO 64 8.650 6.495 18.098 477 2HB PRO 64 1HB PRO 64 8.872 4.867 18.745 478 1HG PRO 64 2HG PRO 64 8.387 5.582 16.038 479 2HG PRO 64 1HG PRO 64 8.428 3.948 16.721 480 1HD PRO 64 2HD PRO 64 6.083 5.731 16.209 481 2HD PRO 64 1HD PRO 64 6.209 3.973 16.035 482 H ASP 65 H ASP 65 8.185 7.711 18.718 483 HA ASP 65 HA ASP 65 6.183 9.550 19.603 484 1HB ASP 65 2HB ASP 65 8.985 9.890 18.546 485 2HB ASP 65 1HB ASP 65 7.993 11.251 19.047 486 H GLY 66 H GLY 66 6.322 8.097 16.754 487 1HA GLY 66 2HA GLY 66 4.604 9.286 15.210 488 2HA GLY 66 1HA GLY 66 5.876 10.494 15.126 489 H ASN 67 H ASN 67 7.970 9.787 14.431 490 HA ASN 67 HA ASN 67 7.873 8.348 11.992 491 1HB ASN 67 2HB ASN 67 10.409 8.637 12.142 492 2HB ASN 67 1HB ASN 67 9.451 10.117 12.159 493 1HD2 ASN 67 1HD2 ASN 67 11.421 7.952 14.063 494 2HD2 ASN 67 2HD2 ASN 67 11.636 9.016 15.415 495 H LEU 68 H LEU 68 9.029 6.442 11.444 496 HA LEU 68 HA LEU 68 9.944 4.388 11.660 497 1HB LEU 68 2HB LEU 68 10.675 5.564 14.298 498 2HB LEU 68 1HB LEU 68 10.849 3.835 14.082 499 HG LEU 68 HG LEU 68 12.965 4.879 13.664 500 1HD1 LEU 68 1HD1 LEU 68 12.255 2.981 12.231 501 2HD1 LEU 68 2HD1 LEU 68 13.456 4.034 11.485 502 3HD1 LEU 68 3HD1 LEU 68 11.763 4.148 11.004 503 1HD2 LEU 68 1HD2 LEU 68 11.556 6.555 11.595 504 2HD2 LEU 68 2HD2 LEU 68 13.293 6.534 11.904 505 3HD2 LEU 68 3HD2 LEU 68 12.182 7.125 13.140 506 H HIS 69 H HIS 69 7.069 4.923 12.311 507 HA HIS 69 HA HIS 69 6.418 2.866 14.199 508 1HB HIS 69 2HB HIS 69 4.067 3.174 13.321 509 2HB HIS 69 1HB HIS 69 4.812 4.593 14.036 510 HD1 HIS 69 1HD HIS 69 4.847 6.676 12.645 511 HD2 HIS 69 2HD HIS 69 3.943 3.291 10.396 512 HE1 HIS 69 1HE HIS 69 4.131 7.524 10.395 513 HE2 HIS 69 2HE HIS 69 3.780 5.467 8.996 514 H HIS 70 H HIS 70 7.934 1.352 13.018 515 HA HIS 70 HA HIS 70 6.793 0.094 10.661 516 1HB HIS 70 2HB HIS 70 8.768 -1.322 10.631 517 2HB HIS 70 1HB HIS 70 9.245 0.357 10.836 518 HD1 HIS 70 1HD HIS 70 9.749 -2.946 12.217 519 HD2 HIS 70 2HD HIS 70 9.890 0.945 13.671 520 HE1 HIS 70 1HE HIS 70 11.096 -3.064 14.338 521 HE2 HIS 70 2HE HIS 70 10.927 -0.748 15.324 522 H GLY 71 H GLY 71 7.389 -0.732 14.054 523 1HA GLY 71 2HA GLY 71 6.601 -3.418 13.959 524 2HA GLY 71 1HA GLY 71 6.583 -2.400 15.389 525 H ASN 72 H ASN 72 4.731 -0.614 15.080 526 HA ASN 72 HA ASN 72 2.319 -1.965 15.450 527 1HB ASN 72 2HB ASN 72 3.031 0.408 16.203 528 2HB ASN 72 1HB ASN 72 2.422 0.940 14.643 529 1HD2 ASN 72 1HD2 ASN 72 1.503 1.547 17.344 530 2HD2 ASN 72 2HD2 ASN 72 -0.159 1.081 17.398 531 H ALA 73 H ALA 73 3.733 -0.732 12.474 532 HA ALA 73 HA ALA 73 1.348 -0.738 10.940 533 1HB ALA 73 1HB ALA 73 3.341 0.527 10.272 534 2HB ALA 73 2HB ALA 73 2.808 -0.576 9.002 535 3HB ALA 73 3HB ALA 73 4.203 -0.987 10.001 536 H LYS 74 H LYS 74 3.788 -3.136 11.691 537 HA LYS 74 HA LYS 74 2.771 -5.066 9.815 538 1HB LYS 74 2HB LYS 74 4.567 -5.565 12.175 539 2HB LYS 74 1HB LYS 74 4.344 -6.602 10.773 540 1HG LYS 74 2HG LYS 74 5.710 -3.930 10.888 541 2HG LYS 74 1HG LYS 74 6.405 -5.501 10.535 542 1HD LYS 74 2HD LYS 74 5.125 -5.618 8.455 543 2HD LYS 74 1HD LYS 74 4.435 -4.029 8.802 544 1HE LYS 74 2HE LYS 74 6.697 -3.061 8.785 545 2HE LYS 74 1HE LYS 74 7.364 -4.645 8.398 546 1HZ LYS 74 1HZ LYS 74 5.980 -4.592 6.352 547 2HZ LYS 74 2HZ LYS 74 7.188 -3.409 6.391 548 3HZ LYS 74 3HZ LYS 74 5.573 -2.986 6.706 549 H ASP 75 H ASP 75 2.523 -4.398 13.245 550 HA ASP 75 HA ASP 75 0.921 -6.595 13.993 551 1HB ASP 75 2HB ASP 75 2.062 -5.269 15.662 552 2HB ASP 75 1HB ASP 75 1.189 -3.821 15.172 553 H PHE 76 H PHE 76 0.135 -3.357 12.822 554 HA PHE 76 HA PHE 76 -2.661 -3.514 13.019 555 1HB PHE 76 2HB PHE 76 -1.268 -1.448 12.561 556 2HB PHE 76 1HB PHE 76 -1.099 -2.015 10.905 557 HD1 PHE 76 1HD PHE 76 -2.881 -1.801 9.339 558 HD2 PHE 76 2HD PHE 76 -3.455 -0.722 13.412 559 HE1 PHE 76 1HE PHE 76 -4.981 -0.670 8.737 560 HE2 PHE 76 2HE PHE 76 -5.559 0.410 12.821 561 HZ PHE 76 HZ PHE 76 -6.323 0.438 10.480 562 H ALA 77 H ALA 77 -0.392 -4.624 10.580 563 HA ALA 77 HA ALA 77 -2.317 -5.366 8.622 564 1HB ALA 77 1HB ALA 77 -0.385 -6.893 7.866 565 2HB ALA 77 2HB ALA 77 0.544 -6.082 9.126 566 3HB ALA 77 3HB ALA 77 -0.156 -5.147 7.804 567 H MET 78 H MET 78 -0.950 -6.973 11.418 568 HA MET 78 HA MET 78 -1.931 -9.567 10.796 569 1HB MET 78 2HB MET 78 -1.079 -8.348 13.422 570 2HB MET 78 1HB MET 78 -1.536 -10.034 13.236 571 1HG MET 78 2HG MET 78 0.286 -10.327 11.616 572 2HG MET 78 1HG MET 78 0.762 -8.651 11.876 573 1HE MET 78 1HE MET 78 -0.573 -11.250 14.515 574 2HE MET 78 2HE MET 78 0.937 -11.928 15.125 575 3HE MET 78 3HE MET 78 0.446 -12.225 13.457 576 H LYS 79 H LYS 79 -3.313 -6.837 12.585 577 HA LYS 79 HA LYS 79 -5.626 -8.476 13.235 578 1HB LYS 79 2HB LYS 79 -4.810 -5.688 13.995 579 2HB LYS 79 1HB LYS 79 -6.469 -6.230 14.215 580 1HG LYS 79 2HG LYS 79 -5.631 -8.111 15.578 581 2HG LYS 79 1HG LYS 79 -4.001 -7.456 15.410 582 1HD LYS 79 2HD LYS 79 -6.282 -5.846 16.533 583 2HD LYS 79 1HD LYS 79 -5.263 -6.871 17.544 584 1HE LYS 79 2HE LYS 79 -4.197 -4.700 15.752 585 2HE LYS 79 1HE LYS 79 -4.591 -4.457 17.456 586 1HZ LYS 79 1HZ LYS 79 -2.942 -5.997 18.102 587 2HZ LYS 79 2HZ LYS 79 -2.204 -4.973 16.966 588 3HZ LYS 79 3HZ LYS 79 -2.695 -6.532 16.514 589 H HIS 80 H HIS 80 -4.625 -6.459 10.690 590 HA HIS 80 HA HIS 80 -7.351 -6.562 9.622 591 1HB HIS 80 2HB HIS 80 -5.649 -4.068 9.449 592 2HB HIS 80 1HB HIS 80 -7.280 -4.273 8.825 593 HD1 HIS 80 1HD HIS 80 -9.224 -4.215 10.566 594 HD2 HIS 80 2HD HIS 80 -5.444 -3.541 12.162 595 HE1 HIS 80 1HE HIS 80 -9.612 -3.326 12.887 596 HE2 HIS 80 2HE HIS 80 -7.308 -3.188 13.908 597 H GLY 81 H GLY 81 -6.695 -8.205 8.235 598 1HA GLY 81 2HA GLY 81 -6.345 -7.980 5.726 599 2HA GLY 81 1HA GLY 81 -4.758 -7.373 6.167 600 H ALA 82 H ALA 82 -3.455 -8.900 7.586 601 HA ALA 82 HA ALA 82 -3.652 -11.548 6.316 602 1HB ALA 82 1HB ALA 82 -1.204 -10.429 7.641 603 2HB ALA 82 2HB ALA 82 -1.603 -10.077 5.961 604 3HB ALA 82 3HB ALA 82 -1.315 -11.741 6.470 605 H ASP 83 H ASP 83 -3.513 -13.404 7.508 606 HA ASP 83 HA ASP 83 -3.961 -13.136 10.358 607 1HB ASP 83 2HB ASP 83 -4.670 -15.333 10.432 608 2HB ASP 83 1HB ASP 83 -5.204 -14.788 8.860 609 H GLU 84 H GLU 84 -2.880 -15.085 11.590 610 HA GLU 84 HA GLU 84 -0.395 -14.133 12.110 611 1HB GLU 84 2HB GLU 84 -2.017 -16.412 12.938 612 2HB GLU 84 1HB GLU 84 -0.292 -16.712 13.069 613 1HG GLU 84 2HG GLU 84 -0.973 -14.130 14.154 614 2HG GLU 84 1HG GLU 84 -1.924 -15.419 14.901 615 H THR 85 H THR 85 -1.299 -16.859 10.041 616 HA THR 85 HA THR 85 1.391 -17.781 9.778 617 HB THR 85 HB THR 85 -0.574 -19.271 9.453 618 HG1 THR 85 1HG THR 85 1.335 -20.038 8.663 619 1HG2 THR 85 1HG2 THR 85 -1.968 -17.747 8.129 620 2HG2 THR 85 2HG2 THR 85 -1.723 -19.294 7.308 621 3HG2 THR 85 3HG2 THR 85 -0.819 -17.868 6.791 622 H MET 86 H MET 86 -0.575 -15.424 8.021 623 HA MET 86 HA MET 86 1.130 -15.544 5.690 624 1HB MET 86 2HB MET 86 -1.066 -13.562 6.304 625 2HB MET 86 1HB MET 86 -0.317 -13.853 4.740 626 1HG MET 86 2HG MET 86 -1.190 -16.171 4.827 627 2HG MET 86 1HG MET 86 -2.038 -15.733 6.311 628 1HE MET 86 1HE MET 86 -2.899 -13.966 2.138 629 2HE MET 86 2HE MET 86 -1.762 -15.276 2.452 630 3HE MET 86 3HE MET 86 -1.408 -13.646 3.024 631 H ALA 87 H ALA 87 0.488 -13.384 8.383 632 HA ALA 87 HA ALA 87 2.318 -11.375 7.707 633 1HB ALA 87 1HB ALA 87 1.219 -12.390 10.302 634 2HB ALA 87 2HB ALA 87 0.872 -10.874 9.474 635 3HB ALA 87 3HB ALA 87 2.430 -11.110 10.267 636 H GLN 88 H GLN 88 2.648 -14.521 9.228 637 HA GLN 88 HA GLN 88 5.390 -14.146 10.018 638 1HB GLN 88 2HB GLN 88 3.357 -16.214 10.234 639 2HB GLN 88 1HB GLN 88 4.954 -16.878 9.923 640 1HG GLN 88 2HG GLN 88 4.230 -16.575 12.354 641 2HG GLN 88 1HG GLN 88 5.837 -16.023 11.891 642 1HE2 GLN 88 1HE2 GLN 88 2.635 -15.045 12.852 643 2HE2 GLN 88 2HE2 GLN 88 3.035 -13.400 13.191 644 H GLN 89 H GLN 89 3.819 -15.298 7.109 645 HA GLN 89 HA GLN 89 6.287 -16.303 6.003 646 1HB GLN 89 2HB GLN 89 3.803 -15.555 4.434 647 2HB GLN 89 1HB GLN 89 5.112 -16.604 3.926 648 1HG GLN 89 2HG GLN 89 3.113 -17.171 6.097 649 2HG GLN 89 1HG GLN 89 3.159 -17.888 4.490 650 1HE2 GLN 89 1HE2 GLN 89 3.292 -19.090 7.164 651 2HE2 GLN 89 2HE2 GLN 89 4.748 -20.030 7.185 652 H LEU 90 H LEU 90 4.724 -13.247 6.290 653 HA LEU 90 HA LEU 90 6.119 -12.081 4.036 654 1HB LEU 90 2HB LEU 90 3.759 -11.499 4.556 655 2HB LEU 90 1HB LEU 90 4.295 -10.793 6.066 656 HG LEU 90 HG LEU 90 5.713 -9.209 4.655 657 1HD1 LEU 90 1HD1 LEU 90 3.787 -9.861 2.454 658 2HD1 LEU 90 2HD1 LEU 90 5.339 -10.695 2.579 659 3HD1 LEU 90 3HD1 LEU 90 5.294 -8.942 2.390 660 1HD2 LEU 90 1HD2 LEU 90 2.704 -9.082 4.479 661 2HD2 LEU 90 2HD2 LEU 90 3.806 -7.724 4.251 662 3HD2 LEU 90 3HD2 LEU 90 3.697 -8.517 5.823 663 H VAL 91 H VAL 91 6.072 -11.831 7.560 664 HA VAL 91 HA VAL 91 7.769 -9.650 7.899 665 HB VAL 91 HB VAL 91 8.250 -10.650 10.165 666 1HG1 VAL 91 1HG1 VAL 91 5.957 -10.389 10.978 667 2HG1 VAL 91 2HG1 VAL 91 5.365 -10.490 9.320 668 3HG1 VAL 91 3HG1 VAL 91 6.377 -9.133 9.814 669 1HG2 VAL 91 1HG2 VAL 91 6.743 -12.873 8.920 670 2HG2 VAL 91 2HG2 VAL 91 6.638 -12.608 10.662 671 3HG2 VAL 91 3HG2 VAL 91 8.203 -12.930 9.907 672 H ASP 92 H ASP 92 8.565 -13.042 7.402 673 HA ASP 92 HA ASP 92 11.277 -12.880 8.114 674 1HB ASP 92 2HB ASP 92 10.350 -15.035 8.011 675 2HB ASP 92 1HB ASP 92 9.704 -14.788 6.395 676 H ILE 93 H ILE 93 9.627 -12.550 4.993 677 HA ILE 93 HA ILE 93 11.964 -11.908 3.525 678 HB ILE 93 HB ILE 93 9.036 -11.623 3.009 679 1HG1 ILE 93 2HG1 ILE 93 9.646 -12.905 0.967 680 2HG1 ILE 93 1HG1 ILE 93 11.318 -12.897 1.513 681 1HG2 ILE 93 1HG2 ILE 93 10.097 -9.493 2.273 682 2HG2 ILE 93 2HG2 ILE 93 9.342 -10.423 0.978 683 3HG2 ILE 93 3HG2 ILE 93 11.095 -10.441 1.170 684 1HD1 ILE 93 1HD1 ILE 93 9.002 -14.181 2.941 685 2HD1 ILE 93 2HD1 ILE 93 10.681 -14.187 3.481 686 3HD1 ILE 93 3HD1 ILE 93 10.231 -15.016 1.991 687 H ILE 94 H ILE 94 9.518 -9.987 5.203 688 HA ILE 94 HA ILE 94 10.291 -7.444 4.389 689 HB ILE 94 HB ILE 94 9.184 -8.332 7.053 690 1HG1 ILE 94 2HG1 ILE 94 7.896 -7.054 4.633 691 2HG1 ILE 94 1HG1 ILE 94 7.703 -8.725 5.153 692 1HG2 ILE 94 1HG2 ILE 94 9.478 -5.529 5.972 693 2HG2 ILE 94 2HG2 ILE 94 10.351 -6.216 7.342 694 3HG2 ILE 94 3HG2 ILE 94 8.607 -5.975 7.440 695 1HD1 ILE 94 1HD1 ILE 94 6.858 -6.316 6.729 696 2HD1 ILE 94 2HD1 ILE 94 6.580 -8.002 7.162 697 3HD1 ILE 94 3HD1 ILE 94 5.790 -7.313 5.743 698 H HIS 95 H HIS 95 11.458 -9.376 7.126 699 HA HIS 95 HA HIS 95 13.207 -7.305 8.034 700 1HB HIS 95 2HB HIS 95 13.257 -10.260 8.689 701 2HB HIS 95 1HB HIS 95 14.158 -9.009 9.537 702 HD1 HIS 95 1HD HIS 95 12.327 -10.697 11.180 703 HD2 HIS 95 2HD HIS 95 11.050 -7.214 9.294 704 HE1 HIS 95 1HE HIS 95 10.295 -9.938 12.455 705 HE2 HIS 95 2HE HIS 95 9.489 -7.873 11.261 706 H GLY 96 H GLY 96 13.526 -10.020 5.837 707 1HA GLY 96 2HA GLY 96 16.414 -9.959 5.954 708 2HA GLY 96 1HA GLY 96 15.429 -11.008 4.946 709 H CYS 97 H CYS 97 14.016 -9.428 3.370 710 HA CYS 97 HA CYS 97 16.039 -8.507 1.624 711 1HB CYS 97 2HB CYS 97 13.076 -8.765 1.397 712 2HB CYS 97 1HB CYS 97 13.965 -7.820 0.202 713 H GLU 98 H GLU 98 13.724 -6.804 3.743 714 HA GLU 98 HA GLU 98 14.414 -4.226 2.805 715 1HB GLU 98 2HB GLU 98 12.523 -4.849 4.393 716 2HB GLU 98 1HB GLU 98 13.733 -4.900 5.664 717 1HG GLU 98 2HG GLU 98 14.210 -2.561 5.369 718 2HG GLU 98 1HG GLU 98 13.125 -2.483 3.979 719 H LYS 99 H LYS 99 15.960 -6.420 5.120 720 HA LYS 99 HA LYS 99 17.957 -4.596 5.971 721 1HB LYS 99 2HB LYS 99 17.324 -6.700 7.156 722 2HB LYS 99 1HB LYS 99 18.087 -7.613 5.862 723 1HG LYS 99 2HG LYS 99 19.642 -7.540 7.620 724 2HG LYS 99 1HG LYS 99 20.208 -6.384 6.413 725 1HD LYS 99 2HD LYS 99 19.320 -4.542 7.691 726 2HD LYS 99 1HD LYS 99 18.588 -5.656 8.847 727 1HE LYS 99 2HE LYS 99 20.892 -6.492 9.358 728 2HE LYS 99 1HE LYS 99 21.520 -5.177 8.364 729 1HZ LYS 99 1HZ LYS 99 21.496 -4.599 10.712 730 2HZ LYS 99 2HZ LYS 99 19.820 -4.854 10.778 731 3HZ LYS 99 3HZ LYS 99 20.448 -3.591 9.837 732 H SER 100 H SER 100 17.828 -7.022 3.380 733 HA SER 100 HA SER 100 20.562 -6.377 2.602 734 1HB SER 100 2HB SER 100 20.264 -8.288 1.003 735 2HB SER 100 1HB SER 100 20.057 -8.725 2.699 736 HG SER 100 HG SER 100 18.228 -9.519 2.038 737 H ALA 101 H ALA 101 17.831 -4.863 2.073 738 HA ALA 101 HA ALA 101 17.654 -4.571 -0.725 739 1HB ALA 101 1HB ALA 101 16.892 -2.657 1.486 740 2HB ALA 101 2HB ALA 101 15.839 -3.855 0.719 741 3HB ALA 101 3HB ALA 101 16.437 -2.473 -0.209 742 HA PRO 102 HA PRO 102 21.126 -2.278 -2.072 743 1HB PRO 102 2HB PRO 102 19.927 -0.010 -3.200 744 2HB PRO 102 1HB PRO 102 20.247 -1.537 -4.025 745 1HG PRO 102 2HG PRO 102 17.727 -0.544 -2.783 746 2HG PRO 102 1HG PRO 102 17.954 -1.518 -4.248 747 1HD PRO 102 2HD PRO 102 17.103 -2.621 -1.972 748 2HD PRO 102 1HD PRO 102 18.221 -3.489 -3.044 749 HA PRO 103 HA PRO 103 22.276 0.577 1.034 750 1HB PRO 103 2HB PRO 103 24.083 1.927 -0.849 751 2HB PRO 103 1HB PRO 103 24.467 0.962 0.579 752 1HG PRO 103 2HG PRO 103 24.948 0.055 -1.902 753 2HG PRO 103 1HG PRO 103 24.437 -1.028 -0.592 754 1HD PRO 103 2HD PRO 103 22.808 0.154 -2.816 755 2HD PRO 103 1HD PRO 103 22.803 -1.506 -2.179 756 H ASN 104 H ASN 104 20.139 1.484 -0.976 757 HA ASN 104 HA ASN 104 20.382 4.371 -0.458 758 1HB ASN 104 2HB ASN 104 18.656 2.912 -2.481 759 2HB ASN 104 1HB ASN 104 18.629 4.649 -2.204 760 1HD2 ASN 104 1HD2 ASN 104 20.309 5.909 -2.960 761 2HD2 ASN 104 2HD2 ASN 104 21.483 5.319 -4.088 762 H ASP 105 H ASP 105 19.438 4.708 1.491 763 HA ASP 105 HA ASP 105 17.241 3.103 2.393 764 1HB ASP 105 2HB ASP 105 18.875 4.062 3.987 765 2HB ASP 105 1HB ASP 105 18.309 5.678 3.574 766 H ASP 106 H ASP 106 15.731 3.413 0.726 767 HA ASP 106 HA ASP 106 14.528 6.079 0.618 768 1HB ASP 106 2HB ASP 106 15.114 4.899 -1.531 769 2HB ASP 106 1HB ASP 106 13.876 3.710 -1.139 770 H LYS 107 H LYS 107 13.272 6.303 2.254 771 HA LYS 107 HA LYS 107 11.903 4.662 3.834 772 1HB LYS 107 2HB LYS 107 11.511 7.409 3.020 773 2HB LYS 107 1HB LYS 107 9.986 6.642 3.442 774 1HG LYS 107 2HG LYS 107 10.748 7.572 5.440 775 2HG LYS 107 1HG LYS 107 11.157 5.861 5.564 776 1HD LYS 107 2HD LYS 107 13.442 6.663 4.534 777 2HD LYS 107 1HD LYS 107 12.933 8.228 5.188 778 1HE LYS 107 2HE LYS 107 12.753 7.303 7.399 779 2HE LYS 107 1HE LYS 107 13.104 5.683 6.794 780 1HZ LYS 107 1HZ LYS 107 15.019 6.851 7.838 781 2HZ LYS 107 2HZ LYS 107 14.991 7.960 6.556 782 3HZ LYS 107 3HZ LYS 107 15.311 6.321 6.251 783 H CYS 108 H CYS 108 10.392 5.703 0.689 784 HA CYS 108 HA CYS 108 8.258 3.845 1.307 785 1HB CYS 108 2HB CYS 108 7.924 6.237 0.451 786 2HB CYS 108 1HB CYS 108 8.370 5.599 -1.124 787 H MET 109 H MET 109 11.094 3.893 -0.739 788 HA MET 109 HA MET 109 10.013 2.144 -2.702 789 1HB MET 109 2HB MET 109 12.732 3.174 -2.107 790 2HB MET 109 1HB MET 109 12.598 1.741 -3.117 791 1HG MET 109 2HG MET 109 11.296 4.401 -3.651 792 2HG MET 109 1HG MET 109 12.743 3.778 -4.440 793 1HE MET 109 1HE MET 109 11.946 0.673 -4.730 794 2HE MET 109 2HE MET 109 12.740 1.597 -6.005 795 3HE MET 109 3HE MET 109 11.286 0.663 -6.364 796 H LYS 110 H LYS 110 11.498 1.670 0.362 797 HA LYS 110 HA LYS 110 12.767 -0.795 0.019 798 1HB LYS 110 2HB LYS 110 12.353 -1.095 2.514 799 2HB LYS 110 1HB LYS 110 13.270 0.325 2.025 800 1HG LYS 110 2HG LYS 110 11.534 1.766 2.563 801 2HG LYS 110 1HG LYS 110 10.315 0.490 2.469 802 1HD LYS 110 2HD LYS 110 11.072 -0.496 4.490 803 2HD LYS 110 1HD LYS 110 12.504 0.538 4.537 804 1HE LYS 110 2HE LYS 110 11.060 2.492 4.864 805 2HE LYS 110 1HE LYS 110 9.640 1.446 4.823 806 1HZ LYS 110 1HZ LYS 110 10.330 1.975 7.094 807 2HZ LYS 110 2HZ LYS 110 11.842 1.270 6.814 808 3HZ LYS 110 3HZ LYS 110 10.439 0.313 6.788 809 H THR 111 H THR 111 9.516 -0.088 1.101 810 HA THR 111 HA THR 111 8.619 -2.655 1.553 811 HB THR 111 HB THR 111 7.453 -0.594 2.195 812 HG1 THR 111 1HG THR 111 5.270 -1.480 1.277 813 1HG2 THR 111 1HG2 THR 111 6.705 -0.440 -0.749 814 2HG2 THR 111 2HG2 THR 111 7.616 0.736 0.202 815 3HG2 THR 111 3HG2 THR 111 5.908 0.470 0.540 816 H ILE 112 H ILE 112 9.447 -1.294 -1.518 817 HA ILE 112 HA ILE 112 7.723 -3.184 -2.913 818 HB ILE 112 HB ILE 112 9.526 -1.017 -3.897 819 1HG1 ILE 112 2HG1 ILE 112 7.188 -0.647 -5.166 820 2HG1 ILE 112 1HG1 ILE 112 6.615 -1.452 -3.708 821 1HG2 ILE 112 1HG2 ILE 112 8.324 -3.246 -5.473 822 2HG2 ILE 112 2HG2 ILE 112 10.000 -2.705 -5.447 823 3HG2 ILE 112 3HG2 ILE 112 8.763 -1.709 -6.213 824 1HD1 ILE 112 1HD1 ILE 112 7.878 0.264 -2.391 825 2HD1 ILE 112 2HD1 ILE 112 6.510 0.877 -3.318 826 3HD1 ILE 112 3HD1 ILE 112 8.155 1.118 -3.907 827 H ASP 113 H ASP 113 11.111 -2.532 -2.166 828 HA ASP 113 HA ASP 113 12.268 -4.633 -3.597 829 1HB ASP 113 2HB ASP 113 13.088 -3.266 -1.037 830 2HB ASP 113 1HB ASP 113 14.039 -4.559 -1.754 831 H VAL 114 H VAL 114 10.698 -4.612 -0.417 832 HA VAL 114 HA VAL 114 11.423 -7.344 0.066 833 HB VAL 114 HB VAL 114 9.753 -7.207 1.959 834 1HG1 VAL 114 1HG1 VAL 114 11.853 -5.069 2.021 835 2HG1 VAL 114 2HG1 VAL 114 12.220 -6.792 2.127 836 3HG1 VAL 114 3HG1 VAL 114 11.237 -6.022 3.373 837 1HG2 VAL 114 1HG2 VAL 114 9.781 -4.324 1.260 838 2HG2 VAL 114 2HG2 VAL 114 8.969 -5.047 2.642 839 3HG2 VAL 114 3HG2 VAL 114 8.408 -5.386 1.000 840 H ALA 115 H ALA 115 8.613 -5.588 -1.114 841 HA ALA 115 HA ALA 115 6.742 -7.663 -1.050 842 1HB ALA 115 1HB ALA 115 6.363 -5.215 -1.431 843 2HB ALA 115 2HB ALA 115 5.405 -6.312 -2.431 844 3HB ALA 115 3HB ALA 115 6.810 -5.490 -3.115 845 H MET 116 H MET 116 8.767 -6.579 -3.808 846 HA MET 116 HA MET 116 7.905 -8.773 -5.405 847 1HB MET 116 2HB MET 116 9.709 -8.157 -6.988 848 2HB MET 116 1HB MET 116 8.636 -6.835 -6.585 849 1HG MET 116 2HG MET 116 10.836 -5.988 -6.720 850 2HG MET 116 1HG MET 116 10.375 -5.981 -5.026 851 1HE MET 116 1HE MET 116 12.928 -5.478 -4.667 852 2HE MET 116 2HE MET 116 13.459 -5.792 -6.319 853 3HE MET 116 3HE MET 116 14.235 -6.621 -4.970 854 H CYS 117 H CYS 117 10.265 -8.428 -2.961 855 HA CYS 117 HA CYS 117 11.817 -10.725 -3.583 856 1HB CYS 117 2HB CYS 117 12.821 -9.185 -2.119 857 2HB CYS 117 1HB CYS 117 11.388 -9.080 -1.101 858 H PHE 118 H PHE 118 8.780 -10.183 -1.970 859 HA PHE 118 HA PHE 118 8.725 -12.755 -0.726 860 1HB PHE 118 2HB PHE 118 7.533 -10.898 0.313 861 2HB PHE 118 1HB PHE 118 6.515 -10.712 -1.106 862 HD1 PHE 118 1HD PHE 118 4.475 -11.820 -1.223 863 HD2 PHE 118 2HD PHE 118 7.417 -13.153 1.549 864 HE1 PHE 118 1HE PHE 118 2.845 -13.380 -0.250 865 HE2 PHE 118 2HE PHE 118 5.791 -14.713 2.525 866 HZ PHE 118 HZ PHE 118 3.504 -14.830 1.628 867 H LYS 119 H LYS 119 7.172 -11.326 -3.621 868 HA LYS 119 HA LYS 119 5.740 -13.734 -4.193 869 1HB LYS 119 2HB LYS 119 4.862 -12.670 -6.025 870 2HB LYS 119 1HB LYS 119 5.314 -11.278 -5.056 871 1HG LYS 119 2HG LYS 119 7.583 -11.607 -6.436 872 2HG LYS 119 1HG LYS 119 6.432 -12.290 -7.590 873 1HD LYS 119 2HD LYS 119 5.177 -10.253 -7.636 874 2HD LYS 119 1HD LYS 119 6.160 -9.566 -6.335 875 1HE LYS 119 2HE LYS 119 6.976 -8.663 -8.387 876 2HE LYS 119 1HE LYS 119 8.152 -9.852 -7.804 877 1HZ LYS 119 1HZ LYS 119 7.198 -11.471 -9.344 878 2HZ LYS 119 2HZ LYS 119 7.788 -10.109 -10.165 879 3HZ LYS 119 3HZ LYS 119 6.115 -10.301 -9.935 880 H LYS 120 H LYS 120 8.948 -12.497 -5.037 881 HA LYS 120 HA LYS 120 9.505 -14.422 -7.029 882 1HB LYS 120 2HB LYS 120 10.863 -12.504 -6.947 883 2HB LYS 120 1HB LYS 120 11.165 -12.679 -5.230 884 1HG LYS 120 2HG LYS 120 12.172 -14.796 -7.052 885 2HG LYS 120 1HG LYS 120 12.994 -13.234 -7.032 886 1HD LYS 120 2HD LYS 120 12.693 -15.248 -4.844 887 2HD LYS 120 1HD LYS 120 14.146 -14.415 -5.402 888 1HE LYS 120 2HE LYS 120 12.897 -12.282 -4.549 889 2HE LYS 120 1HE LYS 120 11.949 -13.437 -3.625 890 1HZ LYS 120 1HZ LYS 120 13.793 -12.640 -2.313 891 2HZ LYS 120 2HZ LYS 120 14.905 -13.138 -3.488 892 3HZ LYS 120 3HZ LYS 120 13.989 -14.290 -2.639 893 H GLU 121 H GLU 121 10.136 -14.335 -3.515 894 HA GLU 121 HA GLU 121 11.193 -16.896 -3.251 895 1HB GLU 121 2HB GLU 121 9.543 -15.256 -1.350 896 2HB GLU 121 1HB GLU 121 10.188 -16.832 -0.913 897 1HG GLU 121 2HG GLU 121 11.746 -14.378 -1.672 898 2HG GLU 121 1HG GLU 121 11.636 -15.130 -0.085 899 H ILE 122 H ILE 122 7.702 -15.980 -2.903 900 HA ILE 122 HA ILE 122 6.769 -18.525 -2.378 901 HB ILE 122 HB ILE 122 5.478 -16.308 -2.303 902 1HG1 ILE 122 2HG1 ILE 122 4.162 -18.808 -3.359 903 2HG1 ILE 122 1HG1 ILE 122 4.574 -18.494 -1.688 904 1HG2 ILE 122 1HG2 ILE 122 4.051 -16.913 -4.691 905 2HG2 ILE 122 2HG2 ILE 122 5.725 -16.498 -5.071 906 3HG2 ILE 122 3HG2 ILE 122 4.717 -15.369 -4.160 907 1HD1 ILE 122 1HD1 ILE 122 2.604 -16.912 -3.306 908 2HD1 ILE 122 2HD1 ILE 122 2.992 -16.664 -1.602 909 3HD1 ILE 122 3HD1 ILE 122 2.201 -18.153 -2.119 910 H HIS 123 H HIS 123 7.567 -17.064 -5.481 911 HA HIS 123 HA HIS 123 6.439 -19.151 -7.043 912 1HB HIS 123 2HB HIS 123 8.356 -16.924 -7.600 913 2HB HIS 123 1HB HIS 123 8.170 -18.209 -8.786 914 HD1 HIS 123 1HD HIS 123 6.907 -17.051 -10.587 915 HD2 HIS 123 2HD HIS 123 5.190 -16.484 -6.836 916 HE1 HIS 123 1HE HIS 123 4.729 -15.859 -11.010 917 HE2 HIS 123 2HE HIS 123 3.813 -15.347 -8.717 918 H LYS 124 H LYS 124 9.646 -18.668 -5.620 919 HA LYS 124 HA LYS 124 10.802 -20.967 -6.838 920 1HB LYS 124 2HB LYS 124 12.002 -18.931 -5.941 921 2HB LYS 124 1HB LYS 124 11.681 -19.544 -4.327 922 1HG LYS 124 2HG LYS 124 13.213 -21.211 -4.503 923 2HG LYS 124 1HG LYS 124 13.013 -21.358 -6.253 924 1HD LYS 124 2HD LYS 124 15.172 -20.408 -5.832 925 2HD LYS 124 1HD LYS 124 14.118 -19.156 -6.499 926 1HE LYS 124 2HE LYS 124 13.725 -18.292 -4.243 927 2HE LYS 124 1HE LYS 124 14.809 -19.519 -3.585 928 1HZ LYS 124 1HZ LYS 124 15.837 -17.287 -3.941 929 2HZ LYS 124 2HZ LYS 124 15.645 -17.517 -5.610 930 3HZ LYS 124 3HZ LYS 124 16.642 -18.562 -4.719 931 H LEU 125 H LEU 125 8.665 -20.469 -4.248 932 HA LEU 125 HA LEU 125 9.325 -22.865 -2.795 933 1HB LEU 125 2HB LEU 125 6.875 -21.106 -2.630 934 2HB LEU 125 1HB LEU 125 7.291 -22.381 -1.502 935 HG LEU 125 HG LEU 125 8.865 -19.847 -1.958 936 1HD1 LEU 125 1HD1 LEU 125 6.763 -19.455 -0.799 937 2HD1 LEU 125 2HD1 LEU 125 8.133 -19.261 0.296 938 3HD1 LEU 125 3HD1 LEU 125 7.154 -20.726 0.360 939 1HD2 LEU 125 1HD2 LEU 125 10.189 -20.568 -0.029 940 2HD2 LEU 125 2HD2 LEU 125 10.315 -21.717 -1.362 941 3HD2 LEU 125 3HD2 LEU 125 9.289 -22.083 0.025 942 H ASN 126 H ASN 126 8.256 -22.747 -5.785 943 HA ASN 126 HA ASN 126 6.457 -25.025 -5.420 944 1HB ASN 126 2HB ASN 126 5.279 -22.748 -5.937 945 2HB ASN 126 1HB ASN 126 5.863 -23.021 -7.574 946 1HD2 ASN 126 1HD2 ASN 126 3.138 -22.915 -6.656 947 2HD2 ASN 126 2HD2 ASN 126 2.423 -24.446 -7.029 948 H TRP 127 H TRP 127 6.281 -24.320 -8.601 949 HA TRP 127 HA TRP 127 7.977 -26.453 -9.355 950 1HB TRP 127 2HB TRP 127 6.925 -24.316 -11.205 951 2HB TRP 127 1HB TRP 127 7.319 -25.988 -11.597 952 HD1 TRP 127 HD TRP 127 4.531 -23.806 -10.411 953 HE1 TRP 127 1HE TRP 127 2.435 -25.211 -9.957 954 HE3 TRP 127 3HE TRP 127 6.612 -28.463 -10.739 955 HZ2 TRP 127 2HZ TRP 127 1.746 -27.951 -9.786 956 HZ3 TRP 127 3HZ TRP 127 5.164 -30.425 -10.418 957 HH2 TRP 127 HH TRP 127 2.781 -30.171 -9.951 958 H VAL 128 H VAL 128 10.093 -26.198 -8.891 959 HA VAL 128 HA VAL 128 11.634 -24.621 -10.704 960 HB VAL 128 HB VAL 128 11.115 -22.893 -9.018 961 1HG1 VAL 128 1HG1 VAL 128 12.036 -23.058 -6.758 962 2HG1 VAL 128 2HG1 VAL 128 12.543 -24.715 -7.092 963 3HG1 VAL 128 3HG1 VAL 128 10.827 -24.304 -7.071 964 1HG2 VAL 128 1HG2 VAL 128 13.220 -22.754 -10.220 965 2HG2 VAL 128 2HG2 VAL 128 13.996 -23.777 -9.012 966 3HG2 VAL 128 3HG2 VAL 128 13.417 -22.172 -8.567 967 HA PRO 129 HA PRO 129 14.263 -28.093 -9.683 968 1HB PRO 129 2HB PRO 129 16.198 -26.998 -11.536 969 2HB PRO 129 1HB PRO 129 15.174 -28.420 -11.732 970 1HG PRO 129 2HG PRO 129 14.880 -26.137 -13.195 971 2HG PRO 129 1HG PRO 129 13.551 -27.254 -12.843 972 1HD PRO 129 2HD PRO 129 14.246 -24.657 -11.526 973 2HD PRO 129 1HD PRO 129 12.650 -25.309 -11.964 974 H ASN 130 H ASN 130 14.360 -26.261 -7.719 975 HA ASN 130 HA ASN 130 16.930 -24.966 -7.570 976 1HB ASN 130 2HB ASN 130 14.905 -23.975 -6.521 977 2HB ASN 130 1HB ASN 130 14.861 -25.324 -5.389 978 1HD2 ASN 130 1HD2 ASN 130 16.343 -25.401 -3.705 979 2HD2 ASN 130 2HD2 ASN 130 17.373 -24.066 -3.311 980 H MET 131 H MET 131 18.653 -26.191 -7.351 981 HA MET 131 HA MET 131 18.835 -27.973 -5.063 982 1HB MET 131 2HB MET 131 19.834 -29.794 -6.466 983 2HB MET 131 1HB MET 131 18.118 -29.535 -6.741 984 1HG MET 131 2HG MET 131 18.673 -28.219 -8.752 985 2HG MET 131 1HG MET 131 20.376 -28.590 -8.492 986 1HE MET 131 1HE MET 131 19.394 -30.780 -11.616 987 2HE MET 131 2HE MET 131 20.469 -29.523 -11.005 988 3HE MET 131 3HE MET 131 18.751 -29.190 -11.213 989 H ASP 132 H ASP 132 20.677 -27.601 -4.056 990 HA ASP 132 HA ASP 132 22.863 -26.326 -5.576 991 1HB ASP 132 2HB ASP 132 21.709 -24.798 -3.987 992 2HB ASP 132 1HB ASP 132 22.120 -25.892 -2.671 993 H LEU 133 H LEU 133 25.047 -26.698 -4.639 994 HA LEU 133 HA LEU 133 25.394 -29.463 -3.933 995 1HB LEU 133 2HB LEU 133 26.993 -28.295 -5.402 996 2HB LEU 133 1HB LEU 133 27.423 -27.229 -4.077 997 HG LEU 133 HG LEU 133 28.246 -29.203 -2.807 998 1HD1 LEU 133 1HD1 LEU 133 28.598 -31.301 -3.985 999 2HD1 LEU 133 2HD1 LEU 133 27.783 -30.654 -5.408 1000 3HD1 LEU 133 3HD1 LEU 133 26.882 -30.901 -3.912 1001 1HD2 LEU 133 1HD2 LEU 133 29.510 -28.802 -5.516 1002 2HD2 LEU 133 2HD2 LEU 133 30.295 -29.482 -4.091 1003 3HD2 LEU 133 3HD2 LEU 133 29.778 -27.795 -4.092 1004 H VAL 134 H VAL 134 24.623 -29.902 -1.943 1005 HA VAL 134 HA VAL 134 24.938 -28.253 0.326 1006 HB VAL 134 HB VAL 134 24.345 -30.359 1.621 1007 1HG1 VAL 134 1HG1 VAL 134 22.547 -29.542 -0.660 1008 2HG1 VAL 134 2HG1 VAL 134 22.670 -28.740 0.906 1009 3HG1 VAL 134 3HG1 VAL 134 22.038 -30.383 0.804 1010 1HG2 VAL 134 1HG2 VAL 134 23.530 -32.269 0.319 1011 2HG2 VAL 134 2HG2 VAL 134 25.255 -32.004 0.064 1012 3HG2 VAL 134 3HG2 VAL 134 24.095 -31.500 -1.165 1013 H ILE 135 H ILE 135 26.816 -27.739 1.230 1014 HA ILE 135 HA ILE 135 29.072 -29.541 0.970 1015 HB ILE 135 HB ILE 135 29.643 -27.319 0.476 1016 1HG1 ILE 135 2HG1 ILE 135 31.076 -28.596 2.297 1017 2HG1 ILE 135 1HG1 ILE 135 31.465 -26.944 1.834 1018 1HG2 ILE 135 1HG2 ILE 135 28.275 -26.459 3.016 1019 2HG2 ILE 135 2HG2 ILE 135 27.691 -26.216 1.370 1020 3HG2 ILE 135 3HG2 ILE 135 29.155 -25.399 1.916 1021 1HD1 ILE 135 1HD1 ILE 135 29.626 -27.426 4.125 1022 2HD1 ILE 135 2HD1 ILE 135 30.724 -26.072 3.826 1023 3HD1 ILE 135 3HD1 ILE 135 31.367 -27.631 4.345 1024 H GLY 136 H GLY 136 29.907 -30.737 2.542 1025 1HA GLY 136 2HA GLY 136 28.960 -30.294 5.299 1026 2HA GLY 136 1HA GLY 136 28.960 -31.909 4.596 1027 H GLU 137 H GLU 137 30.503 -30.412 6.826 1028 HA GLU 137 HA GLU 137 33.240 -30.574 5.965 1029 1HB GLU 137 2HB GLU 137 32.028 -30.301 8.716 1030 2HB GLU 137 1HB GLU 137 33.750 -30.226 8.380 1031 1HG GLU 137 2HG GLU 137 33.450 -28.236 7.058 1032 2HG GLU 137 1HG GLU 137 31.698 -28.338 7.255 1033 H VAL 138 H VAL 138 34.064 -32.529 5.496 1034 HA VAL 138 HA VAL 138 33.505 -34.792 7.240 1035 HB VAL 138 HB VAL 138 35.458 -34.668 4.930 1036 1HG1 VAL 138 1HG1 VAL 138 35.864 -36.510 6.471 1037 2HG1 VAL 138 2HG1 VAL 138 35.243 -37.113 4.934 1038 3HG1 VAL 138 3HG1 VAL 138 34.179 -37.011 6.337 1039 1HG2 VAL 138 1HG2 VAL 138 32.580 -35.572 4.926 1040 2HG2 VAL 138 2HG2 VAL 138 33.710 -35.734 3.581 1041 3HG2 VAL 138 3HG2 VAL 138 33.222 -34.131 4.135 1042 H LEU 139 H LEU 139 34.356 -33.749 9.128 1043 HA LEU 139 HA LEU 139 37.098 -32.912 9.132 1044 1HB LEU 139 2HB LEU 139 36.776 -32.243 11.418 1045 2HB LEU 139 1HB LEU 139 35.446 -31.680 10.442 1046 HG LEU 139 HG LEU 139 34.500 -32.293 12.484 1047 1HD1 LEU 139 1HD1 LEU 139 34.061 -34.660 10.688 1048 2HD1 LEU 139 2HD1 LEU 139 33.183 -33.133 10.647 1049 3HD1 LEU 139 3HD1 LEU 139 33.046 -34.188 12.051 1050 1HD2 LEU 139 1HD2 LEU 139 34.872 -34.416 13.630 1051 2HD2 LEU 139 2HD2 LEU 139 36.356 -33.479 13.451 1052 3HD2 LEU 139 3HD2 LEU 139 36.054 -34.864 12.401 1053 H ALA 140 H ALA 140 38.825 -33.863 10.017 1054 HA ALA 140 HA ALA 140 38.466 -36.616 10.988 1055 1HB ALA 140 1HB ALA 140 39.321 -36.634 8.697 1056 2HB ALA 140 2HB ALA 140 40.515 -37.255 9.835 1057 3HB ALA 140 3HB ALA 140 40.676 -35.621 9.192 1058 H GLU 141 H GLU 141 38.769 -36.324 13.125 1059 HA GLU 141 HA GLU 141 40.828 -34.598 14.152 1060 1HB GLU 141 2HB GLU 141 38.659 -35.102 15.333 1061 2HB GLU 141 1HB GLU 141 39.270 -36.723 15.636 1062 1HG GLU 141 2HG GLU 141 41.193 -35.707 16.835 1063 2HG GLU 141 1HG GLU 141 40.422 -34.134 16.638 1064 H VAL 142 H VAL 142 42.741 -35.249 15.186 1065 HA VAL 142 HA VAL 142 43.825 -37.719 14.105 1066 HB VAL 142 HB VAL 142 46.010 -36.773 15.089 1067 1HG1 VAL 142 1HG1 VAL 142 46.312 -35.310 13.148 1068 2HG1 VAL 142 2HG1 VAL 142 44.568 -35.300 12.884 1069 3HG1 VAL 142 3HG1 VAL 142 45.479 -36.800 12.710 1070 1HG2 VAL 142 1HG2 VAL 142 45.004 -35.124 16.587 1071 2HG2 VAL 142 2HG2 VAL 142 44.287 -34.294 15.206 1072 3HG2 VAL 142 3HG2 VAL 142 46.040 -34.338 15.395 Start of MODEL 5 1 1H SER 1 1HT SER 1 -5.364 -16.939 -1.277 2 2H SER 1 2HT SER 1 -6.899 -16.247 -1.119 3 3H SER 1 3HT SER 1 -5.633 -15.707 -0.141 4 HA SER 1 HA SER 1 -4.454 -14.898 -2.073 5 1HB SER 1 2HB SER 1 -6.987 -15.492 -3.615 6 2HB SER 1 1HB SER 1 -5.461 -14.879 -4.249 7 HG SER 1 HG SER 1 -6.178 -17.358 -4.153 8 HA PRO 2 HA PRO 2 -8.088 -11.680 -2.348 9 1HB PRO 2 2HB PRO 2 -10.117 -12.807 -0.514 10 2HB PRO 2 1HB PRO 2 -10.324 -12.045 -2.094 11 1HG PRO 2 2HG PRO 2 -10.618 -14.672 -1.808 12 2HG PRO 2 1HG PRO 2 -9.831 -13.993 -3.246 13 1HD PRO 2 2HD PRO 2 -8.587 -15.242 -0.821 14 2HD PRO 2 1HD PRO 2 -8.178 -15.468 -2.534 15 H GLU 3 H GLU 3 -7.152 -13.319 0.540 16 HA GLU 3 HA GLU 3 -7.966 -11.774 2.617 17 1HB GLU 3 2HB GLU 3 -5.313 -13.114 2.146 18 2HB GLU 3 1HB GLU 3 -5.666 -12.286 3.652 19 1HG GLU 3 2HG GLU 3 -6.021 -14.687 3.826 20 2HG GLU 3 1HG GLU 3 -7.514 -13.788 4.081 21 H ILE 4 H ILE 4 -4.706 -11.236 1.219 22 HA ILE 4 HA ILE 4 -4.770 -8.575 2.298 23 HB ILE 4 HB ILE 4 -2.777 -10.200 2.322 24 1HG1 ILE 4 2HG1 ILE 4 -1.192 -8.370 2.348 25 2HG1 ILE 4 1HG1 ILE 4 -2.290 -7.356 1.414 26 1HG2 ILE 4 1HG2 ILE 4 -2.450 -9.045 -0.441 27 2HG2 ILE 4 2HG2 ILE 4 -2.760 -10.736 -0.044 28 3HG2 ILE 4 3HG2 ILE 4 -1.236 -9.983 0.431 29 1HD1 ILE 4 1HD1 ILE 4 -2.774 -8.391 4.201 30 2HD1 ILE 4 2HD1 ILE 4 -3.862 -7.355 3.275 31 3HD1 ILE 4 3HD1 ILE 4 -2.281 -6.753 3.771 32 H MET 5 H MET 5 -5.758 -9.918 -0.595 33 HA MET 5 HA MET 5 -4.835 -7.901 -2.401 34 1HB MET 5 2HB MET 5 -6.769 -10.181 -2.595 35 2HB MET 5 1HB MET 5 -6.672 -8.986 -3.885 36 1HG MET 5 2HG MET 5 -4.280 -9.487 -4.138 37 2HG MET 5 1HG MET 5 -4.417 -10.710 -2.877 38 1HE MET 5 1HE MET 5 -6.621 -10.990 -6.926 39 2HE MET 5 2HE MET 5 -5.553 -9.654 -6.500 40 3HE MET 5 3HE MET 5 -7.080 -9.869 -5.644 41 H LYS 6 H LYS 6 -7.606 -8.332 -0.353 42 HA LYS 6 HA LYS 6 -8.838 -5.929 -1.479 43 1HB LYS 6 2HB LYS 6 -10.709 -6.424 0.111 44 2HB LYS 6 1HB LYS 6 -10.422 -7.686 -1.077 45 1HG LYS 6 2HG LYS 6 -9.246 -9.008 0.587 46 2HG LYS 6 1HG LYS 6 -9.477 -7.732 1.781 47 1HD LYS 6 2HD LYS 6 -11.896 -8.015 1.624 48 2HD LYS 6 1HD LYS 6 -11.674 -9.271 0.402 49 1HE LYS 6 2HE LYS 6 -12.080 -10.227 2.622 50 2HE LYS 6 1HE LYS 6 -10.483 -10.651 2.008 51 1HZ LYS 6 1HZ LYS 6 -9.567 -8.836 3.365 52 2HZ LYS 6 2HZ LYS 6 -10.318 -10.028 4.301 53 3HZ LYS 6 3HZ LYS 6 -11.107 -8.551 4.019 54 H ASN 7 H ASN 7 -7.410 -4.371 -0.831 55 HA ASN 7 HA ASN 7 -6.311 -4.177 1.765 56 1HB ASN 7 2HB ASN 7 -6.717 -1.965 -0.263 57 2HB ASN 7 1HB ASN 7 -5.619 -1.924 1.112 58 1HD2 ASN 7 1HD2 ASN 7 -3.719 -3.139 1.046 59 2HD2 ASN 7 2HD2 ASN 7 -3.099 -3.786 -0.433 60 H LEU 8 H LEU 8 -7.225 -3.540 3.596 61 HA LEU 8 HA LEU 8 -9.903 -2.793 3.824 62 1HB LEU 8 2HB LEU 8 -7.628 -2.337 5.755 63 2HB LEU 8 1HB LEU 8 -9.325 -2.141 6.151 64 HG LEU 8 HG LEU 8 -8.014 -4.730 5.316 65 1HD1 LEU 8 1HD1 LEU 8 -7.318 -4.067 7.535 66 2HD1 LEU 8 2HD1 LEU 8 -8.461 -5.405 7.639 67 3HD1 LEU 8 3HD1 LEU 8 -8.995 -3.764 7.996 68 1HD2 LEU 8 1HD2 LEU 8 -10.337 -4.600 4.597 69 2HD2 LEU 8 2HD2 LEU 8 -10.829 -4.143 6.226 70 3HD2 LEU 8 3HD2 LEU 8 -10.157 -5.744 5.926 71 H SER 9 H SER 9 -7.001 -0.852 3.503 72 HA SER 9 HA SER 9 -8.097 1.681 4.028 73 1HB SER 9 2HB SER 9 -5.648 1.131 3.789 74 2HB SER 9 1HB SER 9 -5.894 1.023 2.049 75 HG SER 9 HG SER 9 -6.283 3.173 1.957 76 H ASN 10 H ASN 10 -8.007 -0.318 1.149 77 HA ASN 10 HA ASN 10 -9.129 1.638 -0.619 78 1HB ASN 10 2HB ASN 10 -7.664 -0.148 -1.449 79 2HB ASN 10 1HB ASN 10 -8.808 -1.365 -0.899 80 1HD2 ASN 10 1HD2 ASN 10 -8.990 -2.220 -2.958 81 2HD2 ASN 10 2HD2 ASN 10 -9.883 -1.414 -4.205 82 H ASN 11 H ASN 11 -10.339 -0.929 1.431 83 HA ASN 11 HA ASN 11 -12.990 -0.982 0.420 84 1HB ASN 11 2HB ASN 11 -12.316 -2.848 1.728 85 2HB ASN 11 1HB ASN 11 -11.775 -1.824 3.053 86 1HD2 ASN 11 1HD2 ASN 11 -14.558 -3.154 1.407 87 2HD2 ASN 11 2HD2 ASN 11 -15.688 -2.869 2.690 88 H PHE 12 H PHE 12 -11.716 0.451 3.434 89 HA PHE 12 HA PHE 12 -13.801 2.060 4.152 90 1HB PHE 12 2HB PHE 12 -10.861 2.730 4.253 91 2HB PHE 12 1HB PHE 12 -12.105 3.673 5.063 92 HD1 PHE 12 1HD PHE 12 -9.614 1.774 5.940 93 HD2 PHE 12 2HD PHE 12 -13.861 1.578 6.128 94 HE1 PHE 12 1HE PHE 12 -9.456 0.271 7.881 95 HE2 PHE 12 2HE PHE 12 -13.710 0.079 8.072 96 HZ PHE 12 HZ PHE 12 -11.504 -0.578 8.950 97 H GLY 13 H GLY 13 -11.078 3.588 2.324 98 1HA GLY 13 2HA GLY 13 -11.095 5.347 0.868 99 2HA GLY 13 1HA GLY 13 -12.533 4.591 0.209 100 H LYS 14 H LYS 14 -12.350 5.944 3.480 101 HA LYS 14 HA LYS 14 -14.630 7.567 3.055 102 1HB LYS 14 2HB LYS 14 -14.117 6.717 5.270 103 2HB LYS 14 1HB LYS 14 -12.577 7.564 5.276 104 1HG LYS 14 2HG LYS 14 -13.761 9.709 5.256 105 2HG LYS 14 1HG LYS 14 -15.303 8.846 5.269 106 1HD LYS 14 2HD LYS 14 -14.765 7.867 7.423 107 2HD LYS 14 1HD LYS 14 -13.174 8.627 7.396 108 1HE LYS 14 2HE LYS 14 -14.231 10.832 7.416 109 2HE LYS 14 1HE LYS 14 -15.821 10.071 7.449 110 1HZ LYS 14 1HZ LYS 14 -14.970 10.815 9.654 111 2HZ LYS 14 2HZ LYS 14 -13.756 9.637 9.536 112 3HZ LYS 14 3HZ LYS 14 -15.381 9.170 9.587 113 H ALA 15 H ALA 15 -11.161 8.240 3.244 114 HA ALA 15 HA ALA 15 -11.632 10.679 1.712 115 1HB ALA 15 1HB ALA 15 -9.904 10.696 4.179 116 2HB ALA 15 2HB ALA 15 -11.558 11.302 4.127 117 3HB ALA 15 3HB ALA 15 -10.308 12.062 3.142 118 H MET 16 H MET 16 -10.781 8.869 0.250 119 HA MET 16 HA MET 16 -7.977 8.330 0.316 120 1HB MET 16 2HB MET 16 -10.001 8.136 -1.918 121 2HB MET 16 1HB MET 16 -8.318 7.656 -2.090 122 1HG MET 16 2HG MET 16 -8.652 6.051 -0.225 123 2HG MET 16 1HG MET 16 -10.364 6.465 -0.238 124 1HE MET 16 1HE MET 16 -11.989 5.969 -2.296 125 2HE MET 16 2HE MET 16 -11.450 5.229 -3.805 126 3HE MET 16 3HE MET 16 -10.897 6.845 -3.366 127 H ASP 17 H ASP 17 -10.017 10.845 -0.783 128 HA ASP 17 HA ASP 17 -8.457 12.267 -2.575 129 1HB ASP 17 2HB ASP 17 -10.754 12.876 -2.137 130 2HB ASP 17 1HB ASP 17 -10.370 13.255 -0.459 131 H GLN 18 H GLN 18 -8.113 11.943 0.870 132 HA GLN 18 HA GLN 18 -6.464 14.336 0.974 133 1HB GLN 18 2HB GLN 18 -7.524 12.520 3.122 134 2HB GLN 18 1HB GLN 18 -6.323 13.763 3.455 135 1HG GLN 18 2HG GLN 18 -8.061 15.300 2.202 136 2HG GLN 18 1HG GLN 18 -9.188 14.044 2.712 137 1HE2 GLN 18 1HE2 GLN 18 -9.648 13.770 4.865 138 2HE2 GLN 18 2HE2 GLN 18 -9.205 14.926 6.071 139 H CYS 19 H CYS 19 -6.079 10.870 0.993 140 HA CYS 19 HA CYS 19 -3.289 10.919 1.601 141 1HB CYS 19 2HB CYS 19 -4.829 8.872 -0.044 142 2HB CYS 19 1HB CYS 19 -3.206 8.673 0.588 143 H LYS 20 H LYS 20 -5.253 11.321 -1.262 144 HA LYS 20 HA LYS 20 -3.277 11.042 -3.224 145 1HB LYS 20 2HB LYS 20 -5.858 11.143 -3.422 146 2HB LYS 20 1HB LYS 20 -5.666 12.886 -3.407 147 1HG LYS 20 2HG LYS 20 -4.459 11.021 -5.441 148 2HG LYS 20 1HG LYS 20 -5.932 11.960 -5.665 149 1HD LYS 20 2HD LYS 20 -4.012 13.817 -4.866 150 2HD LYS 20 1HD LYS 20 -3.168 12.744 -5.986 151 1HE LYS 20 2HE LYS 20 -4.053 14.416 -7.353 152 2HE LYS 20 1HE LYS 20 -5.185 13.076 -7.525 153 1HZ LYS 20 1HZ LYS 20 -6.601 14.166 -5.843 154 2HZ LYS 20 2HZ LYS 20 -6.392 15.108 -7.236 155 3HZ LYS 20 3HZ LYS 20 -5.537 15.486 -5.823 156 H ASP 21 H ASP 21 -4.639 13.904 -1.611 157 HA ASP 21 HA ASP 21 -2.918 15.720 -2.975 158 1HB ASP 21 2HB ASP 21 -5.182 16.313 -2.110 159 2HB ASP 21 1HB ASP 21 -4.539 16.213 -0.474 160 H GLU 22 H GLU 22 -2.827 14.138 0.185 161 HA GLU 22 HA GLU 22 -0.816 15.818 1.274 162 1HB GLU 22 2HB GLU 22 -2.443 14.165 2.468 163 2HB GLU 22 1HB GLU 22 -1.181 12.978 2.162 164 1HG GLU 22 2HG GLU 22 0.422 14.500 3.326 165 2HG GLU 22 1HG GLU 22 -0.950 15.514 3.750 166 H LEU 23 H LEU 23 -0.692 12.695 -0.411 167 HA LEU 23 HA LEU 23 2.184 12.536 -0.076 168 1HB LEU 23 2HB LEU 23 0.362 10.781 -1.719 169 2HB LEU 23 1HB LEU 23 2.029 10.436 -1.303 170 HG LEU 23 HG LEU 23 -0.374 10.454 0.500 171 1HD1 LEU 23 1HD1 LEU 23 1.758 8.401 -0.083 172 2HD1 LEU 23 2HD1 LEU 23 0.090 8.368 -0.658 173 3HD1 LEU 23 3HD1 LEU 23 0.432 8.210 1.064 174 1HD2 LEU 23 1HD2 LEU 23 1.685 11.739 1.291 175 2HD2 LEU 23 2HD2 LEU 23 2.424 10.141 1.492 176 3HD2 LEU 23 3HD2 LEU 23 0.954 10.557 2.382 177 H SER 24 H SER 24 0.241 14.262 -1.982 178 HA SER 24 HA SER 24 0.525 15.521 -3.841 179 1HB SER 24 2HB SER 24 2.742 16.013 -2.807 180 2HB SER 24 1HB SER 24 3.423 14.649 -3.691 181 HG SER 24 HG SER 24 2.726 15.740 -5.635 182 H LEU 25 H LEU 25 -0.291 12.779 -4.042 183 HA LEU 25 HA LEU 25 0.746 11.283 -6.112 184 1HB LEU 25 2HB LEU 25 -2.141 11.942 -5.566 185 2HB LEU 25 1HB LEU 25 -1.659 10.800 -6.782 186 HG LEU 25 HG LEU 25 -2.485 9.864 -4.568 187 1HD1 LEU 25 1HD1 LEU 25 0.200 8.964 -5.518 188 2HD1 LEU 25 2HD1 LEU 25 -1.332 8.561 -6.285 189 3HD1 LEU 25 3HD1 LEU 25 -0.987 8.000 -4.649 190 1HD2 LEU 25 1HD2 LEU 25 -0.831 9.611 -2.808 191 2HD2 LEU 25 2HD2 LEU 25 -1.257 11.303 -3.061 192 3HD2 LEU 25 3HD2 LEU 25 0.268 10.673 -3.687 193 HA PRO 26 HA PRO 26 0.152 14.055 -9.668 194 1HB PRO 26 2HB PRO 26 1.647 11.951 -11.064 195 2HB PRO 26 1HB PRO 26 2.047 13.662 -10.880 196 1HG PRO 26 2HG PRO 26 3.451 11.734 -9.630 197 2HG PRO 26 1HG PRO 26 3.166 13.321 -8.885 198 1HD PRO 26 2HD PRO 26 1.720 10.727 -8.428 199 2HD PRO 26 1HD PRO 26 2.314 11.889 -7.220 200 H ASP 27 H ASP 27 -1.108 13.716 -11.564 201 HA ASP 27 HA ASP 27 -3.282 12.038 -11.211 202 1HB ASP 27 2HB ASP 27 -3.785 12.537 -13.641 203 2HB ASP 27 1HB ASP 27 -3.604 13.918 -12.565 204 H SER 28 H SER 28 -0.296 11.431 -12.889 205 HA SER 28 HA SER 28 -1.186 9.291 -14.480 206 1HB SER 28 2HB SER 28 1.617 9.795 -13.474 207 2HB SER 28 1HB SER 28 1.147 8.906 -14.927 208 HG SER 28 HG SER 28 -0.003 11.279 -15.076 209 H VAL 29 H VAL 29 0.611 9.246 -11.369 210 HA VAL 29 HA VAL 29 0.616 6.413 -11.242 211 HB VAL 29 HB VAL 29 1.017 8.310 -8.941 212 1HG1 VAL 29 1HG1 VAL 29 2.307 6.412 -8.021 213 2HG1 VAL 29 2HG1 VAL 29 1.809 5.432 -9.397 214 3HG1 VAL 29 3HG1 VAL 29 0.603 6.026 -8.254 215 1HG2 VAL 29 1HG2 VAL 29 3.150 7.088 -10.681 216 2HG2 VAL 29 2HG2 VAL 29 3.341 8.315 -9.431 217 3HG2 VAL 29 3HG2 VAL 29 2.514 8.711 -10.937 218 H VAL 30 H VAL 30 -1.357 8.883 -9.504 219 HA VAL 30 HA VAL 30 -2.690 7.011 -7.906 220 HB VAL 30 HB VAL 30 -2.654 9.432 -7.471 221 1HG1 VAL 30 1HG1 VAL 30 -4.567 10.677 -8.431 222 2HG1 VAL 30 2HG1 VAL 30 -4.666 9.450 -9.684 223 3HG1 VAL 30 3HG1 VAL 30 -3.204 10.429 -9.507 224 1HG2 VAL 30 1HG2 VAL 30 -4.087 7.941 -6.218 225 2HG2 VAL 30 2HG2 VAL 30 -5.342 8.074 -7.452 226 3HG2 VAL 30 3HG2 VAL 30 -4.897 9.484 -6.490 227 H ALA 31 H ALA 31 -3.348 8.127 -11.168 228 HA ALA 31 HA ALA 31 -5.905 6.956 -11.476 229 1HB ALA 31 1HB ALA 31 -3.812 7.450 -13.570 230 2HB ALA 31 2HB ALA 31 -4.954 8.662 -12.982 231 3HB ALA 31 3HB ALA 31 -5.543 7.240 -13.846 232 H ASP 32 H ASP 32 -2.664 5.810 -12.414 233 HA ASP 32 HA ASP 32 -3.578 3.320 -13.429 234 1HB ASP 32 2HB ASP 32 -1.394 4.419 -14.022 235 2HB ASP 32 1HB ASP 32 -0.801 3.978 -12.423 236 H LEU 33 H LEU 33 -2.399 4.403 -10.318 237 HA LEU 33 HA LEU 33 -2.268 2.139 -8.812 238 1HB LEU 33 2HB LEU 33 -2.001 4.546 -8.098 239 2HB LEU 33 1HB LEU 33 -3.747 4.645 -8.005 240 HG LEU 33 HG LEU 33 -3.702 2.857 -6.269 241 1HD1 LEU 33 1HD1 LEU 33 -0.742 3.248 -6.629 242 2HD1 LEU 33 2HD1 LEU 33 -1.662 1.742 -6.740 243 3HD1 LEU 33 3HD1 LEU 33 -1.445 2.531 -5.176 244 1HD2 LEU 33 1HD2 LEU 33 -2.084 5.340 -5.701 245 2HD2 LEU 33 2HD2 LEU 33 -2.869 4.322 -4.492 246 3HD2 LEU 33 3HD2 LEU 33 -3.843 5.213 -5.664 247 H TYR 34 H TYR 34 -5.257 4.019 -9.345 248 HA TYR 34 HA TYR 34 -6.993 2.081 -8.283 249 1HB TYR 34 2HB TYR 34 -7.504 4.335 -10.208 250 2HB TYR 34 1HB TYR 34 -8.784 3.352 -9.499 251 HD1 TYR 34 1HD TYR 34 -8.056 3.003 -6.769 252 HD2 TYR 34 2HD TYR 34 -7.522 6.439 -9.221 253 HE1 TYR 34 1HE TYR 34 -8.045 4.425 -4.765 254 HE2 TYR 34 2HE TYR 34 -7.507 7.871 -7.219 255 HH TYR 34 HH TYR 34 -7.193 6.596 -4.074 256 H ASN 35 H ASN 35 -5.180 1.018 -10.658 257 HA ASN 35 HA ASN 35 -6.729 0.640 -12.936 258 1HB ASN 35 2HB ASN 35 -4.300 0.242 -12.844 259 2HB ASN 35 1HB ASN 35 -4.575 -1.175 -11.836 260 1HD2 ASN 35 1HD2 ASN 35 -3.549 -2.473 -13.387 261 2HD2 ASN 35 2HD2 ASN 35 -4.340 -2.924 -14.854 262 H PHE 36 H PHE 36 -8.453 -0.498 -13.328 263 HA PHE 36 HA PHE 36 -9.680 -2.121 -11.341 264 1HB PHE 36 2HB PHE 36 -10.939 -0.706 -12.943 265 2HB PHE 36 1HB PHE 36 -10.416 -1.755 -14.254 266 HD1 PHE 36 1HD PHE 36 -11.526 -3.795 -14.706 267 HD2 PHE 36 2HD PHE 36 -12.464 -1.581 -11.195 268 HE1 PHE 36 1HE PHE 36 -13.497 -5.218 -14.340 269 HE2 PHE 36 2HE PHE 36 -14.436 -3.003 -10.822 270 HZ PHE 36 HZ PHE 36 -14.955 -4.823 -12.394 271 H TRP 37 H TRP 37 -7.767 -2.752 -14.199 272 HA TRP 37 HA TRP 37 -8.457 -5.547 -14.306 273 1HB TRP 37 2HB TRP 37 -6.365 -3.931 -15.775 274 2HB TRP 37 1HB TRP 37 -6.682 -5.638 -16.072 275 HD1 TRP 37 HD TRP 37 -8.869 -6.262 -17.437 276 HE1 TRP 37 1HE TRP 37 -10.510 -4.865 -18.850 277 HE3 TRP 37 3HE TRP 37 -7.485 -1.584 -15.904 278 HZ2 TRP 37 2HZ TRP 37 -11.132 -2.146 -19.249 279 HZ3 TRP 37 3HZ TRP 37 -8.653 0.360 -16.851 280 HH2 TRP 37 HH TRP 37 -10.438 0.082 -18.490 281 H LYS 38 H LYS 38 -7.106 -7.282 -13.874 282 HA LYS 38 HA LYS 38 -5.423 -6.757 -11.557 283 1HB LYS 38 2HB LYS 38 -6.572 -9.327 -12.667 284 2HB LYS 38 1HB LYS 38 -5.561 -9.234 -11.233 285 1HG LYS 38 2HG LYS 38 -7.806 -9.376 -10.502 286 2HG LYS 38 1HG LYS 38 -7.280 -7.719 -10.222 287 1HD LYS 38 2HD LYS 38 -8.407 -7.059 -12.330 288 2HD LYS 38 1HD LYS 38 -9.001 -8.711 -12.497 289 1HE LYS 38 2HE LYS 38 -9.578 -6.907 -10.150 290 2HE LYS 38 1HE LYS 38 -10.659 -7.143 -11.522 291 1HZ LYS 38 1HZ LYS 38 -11.194 -8.521 -9.556 292 2HZ LYS 38 2HZ LYS 38 -9.723 -9.341 -9.757 293 3HZ LYS 38 3HZ LYS 38 -10.914 -9.428 -10.964 294 H ASP 39 H ASP 39 -4.157 -5.865 -13.661 295 HA ASP 39 HA ASP 39 -2.561 -7.330 -15.256 296 1HB ASP 39 2HB ASP 39 -2.511 -4.883 -15.110 297 2HB ASP 39 1HB ASP 39 -1.587 -4.994 -13.615 298 H ASP 40 H ASP 40 -1.843 -6.990 -11.723 299 HA ASP 40 HA ASP 40 -0.329 -7.999 -10.394 300 1HB ASP 40 2HB ASP 40 -1.381 -10.076 -11.423 301 2HB ASP 40 1HB ASP 40 -0.012 -10.115 -12.530 302 H TYR 41 H TYR 41 0.912 -6.080 -10.974 303 HA TYR 41 HA TYR 41 3.181 -6.608 -12.756 304 1HB TYR 41 2HB TYR 41 3.443 -4.061 -12.637 305 2HB TYR 41 1HB TYR 41 2.075 -4.693 -13.541 306 HD1 TYR 41 1HD TYR 41 0.091 -3.577 -13.265 307 HD2 TYR 41 2HD TYR 41 2.825 -3.691 -10.005 308 HE1 TYR 41 1HE TYR 41 -1.441 -2.188 -11.932 309 HE2 TYR 41 2HE TYR 41 1.295 -2.312 -8.668 310 HH TYR 41 HH TYR 41 -1.921 -1.656 -9.627 311 H VAL 42 H VAL 42 5.167 -5.271 -12.135 312 HA VAL 42 HA VAL 42 5.913 -5.885 -9.410 313 HB VAL 42 HB VAL 42 7.466 -4.545 -11.638 314 1HG1 VAL 42 1HG1 VAL 42 8.298 -5.381 -8.875 315 2HG1 VAL 42 2HG1 VAL 42 8.418 -3.785 -9.610 316 3HG1 VAL 42 3HG1 VAL 42 9.448 -5.098 -10.179 317 1HG2 VAL 42 1HG2 VAL 42 6.938 -6.878 -12.101 318 2HG2 VAL 42 2HG2 VAL 42 7.614 -7.349 -10.539 319 3HG2 VAL 42 3HG2 VAL 42 8.663 -6.672 -11.785 320 H MET 43 H MET 43 5.735 -4.502 -7.762 321 HA MET 43 HA MET 43 4.847 -1.810 -8.233 322 1HB MET 43 2HB MET 43 4.004 -3.128 -6.329 323 2HB MET 43 1HB MET 43 5.624 -3.168 -5.649 324 1HG MET 43 2HG MET 43 5.600 -0.810 -5.276 325 2HG MET 43 1HG MET 43 4.079 -0.635 -6.153 326 1HE MET 43 1HE MET 43 4.405 -2.915 -2.146 327 2HE MET 43 2HE MET 43 5.798 -2.218 -2.976 328 3HE MET 43 3HE MET 43 4.932 -3.578 -3.692 329 H THR 44 H THR 44 6.383 -0.660 -9.227 330 HA THR 44 HA THR 44 9.036 -0.464 -7.987 331 HB THR 44 HB THR 44 9.537 0.848 -10.146 332 HG1 THR 44 1HG THR 44 7.714 -0.455 -11.631 333 1HG2 THR 44 1HG2 THR 44 8.856 -2.089 -10.359 334 2HG2 THR 44 2HG2 THR 44 10.361 -1.426 -9.725 335 3HG2 THR 44 3HG2 THR 44 9.939 -1.194 -11.422 336 H ASP 45 H ASP 45 6.270 1.431 -9.046 337 HA ASP 45 HA ASP 45 7.369 3.967 -8.376 338 1HB ASP 45 2HB ASP 45 5.408 3.504 -9.956 339 2HB ASP 45 1HB ASP 45 4.433 3.336 -8.505 340 H ARG 46 H ARG 46 7.463 5.013 -6.580 341 HA ARG 46 HA ARG 46 7.085 3.363 -4.229 342 1HB ARG 46 2HB ARG 46 8.259 6.144 -4.452 343 2HB ARG 46 1HB ARG 46 8.300 5.116 -3.044 344 1HG ARG 46 2HG ARG 46 10.444 5.033 -4.019 345 2HG ARG 46 1HG ARG 46 9.682 3.480 -4.370 346 1HD ARG 46 2HD ARG 46 9.102 4.287 -6.604 347 2HD ARG 46 1HD ARG 46 9.808 5.855 -6.228 348 HE ARG 46 HE ARG 46 11.416 3.390 -6.306 349 1HH1 ARG 46 1HH1 ARG 46 10.879 6.741 -7.147 350 2HH1 ARG 46 2HH1 ARG 46 12.360 6.889 -8.044 351 1HH2 ARG 46 1HH2 ARG 46 13.367 3.577 -7.510 352 2HH2 ARG 46 2HH2 ARG 46 13.767 5.104 -8.243 353 H LEU 47 H LEU 47 5.682 6.085 -5.815 354 HA LEU 47 HA LEU 47 4.241 7.090 -3.597 355 1HB LEU 47 2HB LEU 47 4.654 8.567 -5.382 356 2HB LEU 47 1HB LEU 47 4.046 7.469 -6.588 357 HG LEU 47 HG LEU 47 1.810 7.771 -5.254 358 1HD1 LEU 47 1HD1 LEU 47 1.949 9.248 -3.625 359 2HD1 LEU 47 2HD1 LEU 47 2.129 10.490 -4.859 360 3HD1 LEU 47 3HD1 LEU 47 3.556 9.766 -4.115 361 1HD2 LEU 47 1HD2 LEU 47 2.197 8.272 -7.593 362 2HD2 LEU 47 2HD2 LEU 47 2.935 9.810 -7.144 363 3HD2 LEU 47 3HD2 LEU 47 1.226 9.524 -6.817 364 H ALA 48 H ALA 48 3.878 4.359 -5.639 365 HA ALA 48 HA ALA 48 1.032 4.098 -5.289 366 1HB ALA 48 1HB ALA 48 2.176 3.152 -7.258 367 2HB ALA 48 2HB ALA 48 1.311 1.921 -6.346 368 3HB ALA 48 3HB ALA 48 3.065 2.056 -6.207 369 H GLY 49 H GLY 49 3.790 2.048 -4.384 370 1HA GLY 49 2HA GLY 49 3.064 0.760 -2.169 371 2HA GLY 49 1HA GLY 49 4.600 1.595 -2.249 372 H CYS 50 H CYS 50 3.784 4.316 -2.011 373 HA CYS 50 HA CYS 50 3.456 4.440 0.790 374 1HB CYS 50 2HB CYS 50 3.227 6.618 -1.300 375 2HB CYS 50 1HB CYS 50 3.321 6.900 0.428 376 H ALA 51 H ALA 51 1.273 5.070 -1.935 377 HA ALA 51 HA ALA 51 -0.883 6.058 -0.394 378 1HB ALA 51 1HB ALA 51 -0.611 6.442 -2.816 379 2HB ALA 51 2HB ALA 51 -2.207 5.815 -2.397 380 3HB ALA 51 3HB ALA 51 -0.996 4.745 -3.103 381 H ILE 52 H ILE 52 0.235 2.853 -1.020 382 HA ILE 52 HA ILE 52 -2.142 1.401 -0.654 383 HB ILE 52 HB ILE 52 0.689 0.594 0.036 384 1HG1 ILE 52 2HG1 ILE 52 0.407 1.158 -2.327 385 2HG1 ILE 52 1HG1 ILE 52 0.641 -0.575 -2.128 386 1HG2 ILE 52 1HG2 ILE 52 -0.909 -0.810 1.208 387 2HG2 ILE 52 2HG2 ILE 52 -0.118 -1.714 -0.085 388 3HG2 ILE 52 3HG2 ILE 52 -1.765 -1.122 -0.302 389 1HD1 ILE 52 1HD1 ILE 52 -1.063 -0.090 -3.791 390 2HD1 ILE 52 2HD1 ILE 52 -1.995 0.805 -2.589 391 3HD1 ILE 52 3HD1 ILE 52 -1.755 -0.932 -2.403 392 H ASN 53 H ASN 53 0.097 2.823 1.674 393 HA ASN 53 HA ASN 53 -1.682 1.847 3.821 394 1HB ASN 53 2HB ASN 53 1.317 2.227 3.981 395 2HB ASN 53 1HB ASN 53 0.280 1.839 5.344 396 1HD2 ASN 53 1HD2 ASN 53 -1.358 0.045 3.591 397 2HD2 ASN 53 2HD2 ASN 53 -0.412 -1.393 3.438 398 H CYS 54 H CYS 54 -2.816 3.915 3.421 399 HA CYS 54 HA CYS 54 -1.380 6.111 4.760 400 1HB CYS 54 2HB CYS 54 -2.357 7.720 3.311 401 2HB CYS 54 1HB CYS 54 -1.703 6.447 2.287 402 H LEU 55 H LEU 55 -4.633 4.731 4.133 403 HA LEU 55 HA LEU 55 -6.003 6.755 5.524 404 1HB LEU 55 2HB LEU 55 -6.913 5.109 3.819 405 2HB LEU 55 1HB LEU 55 -6.999 3.944 5.123 406 HG LEU 55 HG LEU 55 -8.401 6.584 5.383 407 1HD1 LEU 55 1HD1 LEU 55 -9.461 4.133 3.980 408 2HD1 LEU 55 2HD1 LEU 55 -9.088 5.681 3.225 409 3HD1 LEU 55 3HD1 LEU 55 -10.396 5.567 4.401 410 1HD2 LEU 55 1HD2 LEU 55 -9.905 5.281 6.793 411 2HD2 LEU 55 2HD2 LEU 55 -8.239 5.129 7.350 412 3HD2 LEU 55 3HD2 LEU 55 -8.987 3.818 6.439 413 H ALA 56 H ALA 56 -5.575 3.365 6.584 414 HA ALA 56 HA ALA 56 -6.465 4.092 9.231 415 1HB ALA 56 1HB ALA 56 -7.145 1.957 8.242 416 2HB ALA 56 2HB ALA 56 -6.249 1.712 9.742 417 3HB ALA 56 3HB ALA 56 -5.459 1.443 8.188 418 H THR 57 H THR 57 -3.547 3.997 7.573 419 HA THR 57 HA THR 57 -1.895 3.574 9.892 420 HB THR 57 HB THR 57 -1.124 4.484 7.117 421 HG1 THR 57 1HG THR 57 -1.029 1.903 8.312 422 1HG2 THR 57 1HG2 THR 57 0.401 3.805 9.564 423 2HG2 THR 57 2HG2 THR 57 0.702 5.068 8.370 424 3HG2 THR 57 3HG2 THR 57 1.084 3.387 7.992 425 H LYS 58 H LYS 58 -3.101 6.301 7.990 426 HA LYS 58 HA LYS 58 -1.627 8.262 9.448 427 1HB LYS 58 2HB LYS 58 -3.938 8.356 7.544 428 2HB LYS 58 1HB LYS 58 -3.498 9.788 8.458 429 1HG LYS 58 2HG LYS 58 -1.299 8.438 7.028 430 2HG LYS 58 1HG LYS 58 -2.530 9.215 6.026 431 1HD LYS 58 2HD LYS 58 -0.732 10.469 8.090 432 2HD LYS 58 1HD LYS 58 -0.894 10.867 6.380 433 1HE LYS 58 2HE LYS 58 -3.158 11.688 6.773 434 2HE LYS 58 1HE LYS 58 -3.023 11.273 8.480 435 1HZ LYS 58 1HZ LYS 58 -1.548 13.361 6.987 436 2HZ LYS 58 2HZ LYS 58 -1.075 12.835 8.530 437 3HZ LYS 58 3HZ LYS 58 -2.591 13.557 8.313 438 H LEU 59 H LEU 59 -4.617 6.569 9.984 439 HA LEU 59 HA LEU 59 -5.782 8.346 11.818 440 1HB LEU 59 2HB LEU 59 -5.942 5.349 11.671 441 2HB LEU 59 1HB LEU 59 -6.959 6.350 12.691 442 HG LEU 59 HG LEU 59 -6.977 6.082 9.705 443 1HD1 LEU 59 1HD1 LEU 59 -9.070 6.068 11.848 444 2HD1 LEU 59 2HD1 LEU 59 -8.422 4.651 11.016 445 3HD1 LEU 59 3HD1 LEU 59 -9.379 5.839 10.126 446 1HD2 LEU 59 1HD2 LEU 59 -8.449 8.033 9.568 447 2HD2 LEU 59 2HD2 LEU 59 -6.840 8.487 10.130 448 3HD2 LEU 59 3HD2 LEU 59 -8.172 8.364 11.278 449 H ASP 60 H ASP 60 -4.047 5.312 12.633 450 HA ASP 60 HA ASP 60 -2.256 6.475 14.442 451 1HB ASP 60 2HB ASP 60 -4.443 6.866 15.699 452 2HB ASP 60 1HB ASP 60 -4.526 5.116 15.894 453 H VAL 61 H VAL 61 -0.652 5.030 14.627 454 HA VAL 61 HA VAL 61 -0.910 2.267 15.023 455 HB VAL 61 HB VAL 61 -1.973 2.431 12.754 456 1HG1 VAL 61 1HG1 VAL 61 -0.658 4.227 11.831 457 2HG1 VAL 61 2HG1 VAL 61 -0.536 2.798 10.806 458 3HG1 VAL 61 3HG1 VAL 61 0.793 3.226 11.882 459 1HG2 VAL 61 1HG2 VAL 61 0.577 0.866 12.579 460 2HG2 VAL 61 2HG2 VAL 61 -0.999 0.484 11.883 461 3HG2 VAL 61 3HG2 VAL 61 -0.757 0.386 13.628 462 H VAL 62 H VAL 62 0.759 4.385 15.943 463 HA VAL 62 HA VAL 62 3.239 4.051 14.423 464 HB VAL 62 HB VAL 62 4.048 6.091 15.458 465 1HG1 VAL 62 1HG1 VAL 62 1.290 6.369 14.287 466 2HG1 VAL 62 2HG1 VAL 62 2.801 6.237 13.386 467 3HG1 VAL 62 3HG1 VAL 62 2.494 7.652 14.393 468 1HG2 VAL 62 1HG2 VAL 62 2.595 7.499 16.833 469 2HG2 VAL 62 2HG2 VAL 62 2.912 5.953 17.624 470 3HG2 VAL 62 3HG2 VAL 62 1.363 6.236 16.829 471 H ASP 63 H ASP 63 4.590 2.590 15.122 472 HA ASP 63 HA ASP 63 4.633 1.525 17.733 473 1HB ASP 63 2HB ASP 63 5.573 0.641 15.380 474 2HB ASP 63 1HB ASP 63 7.070 1.278 16.042 475 HA PRO 64 HA PRO 64 8.544 3.969 18.630 476 1HB PRO 64 2HB PRO 64 9.802 5.267 16.519 477 2HB PRO 64 1HB PRO 64 10.057 3.583 16.978 478 1HG PRO 64 2HG PRO 64 8.905 4.523 14.577 479 2HG PRO 64 1HG PRO 64 8.944 2.846 15.149 480 1HD PRO 64 2HD PRO 64 6.774 4.889 15.404 481 2HD PRO 64 1HD PRO 64 6.641 3.147 15.108 482 H ASP 65 H ASP 65 9.670 6.439 17.278 483 HA ASP 65 HA ASP 65 8.415 8.300 19.030 484 1HB ASP 65 2HB ASP 65 10.559 8.606 16.926 485 2HB ASP 65 1HB ASP 65 10.052 9.914 17.987 486 H GLY 66 H GLY 66 7.294 7.256 16.176 487 1HA GLY 66 2HA GLY 66 5.229 8.773 15.632 488 2HA GLY 66 1HA GLY 66 6.501 9.873 15.135 489 H ASN 67 H ASN 67 7.986 9.168 13.534 490 HA ASN 67 HA ASN 67 6.828 7.730 11.351 491 1HB ASN 67 2HB ASN 67 9.183 8.044 10.396 492 2HB ASN 67 1HB ASN 67 8.288 9.514 10.779 493 1HD2 ASN 67 1HD2 ASN 67 10.916 7.414 11.757 494 2HD2 ASN 67 2HD2 ASN 67 11.655 8.542 12.848 495 H LEU 68 H LEU 68 8.120 5.952 10.270 496 HA LEU 68 HA LEU 68 9.239 3.977 10.207 497 1HB LEU 68 2HB LEU 68 10.564 5.436 12.311 498 2HB LEU 68 1HB LEU 68 10.529 3.725 12.691 499 HG LEU 68 HG LEU 68 12.589 4.368 11.518 500 1HD1 LEU 68 1HD1 LEU 68 11.653 2.104 11.272 501 2HD1 LEU 68 2HD1 LEU 68 12.568 2.617 9.855 502 3HD1 LEU 68 3HD1 LEU 68 10.805 2.632 9.820 503 1HD2 LEU 68 1HD2 LEU 68 10.732 5.096 9.258 504 2HD2 LEU 68 2HD2 LEU 68 12.489 5.007 9.147 505 3HD2 LEU 68 3HD2 LEU 68 11.730 6.211 10.191 506 H HIS 69 H HIS 69 6.580 4.271 11.396 507 HA HIS 69 HA HIS 69 6.351 2.360 13.499 508 1HB HIS 69 2HB HIS 69 3.855 2.402 12.722 509 2HB HIS 69 1HB HIS 69 4.552 3.825 13.483 510 HD1 HIS 69 1HD HIS 69 4.023 2.543 9.911 511 HD2 HIS 69 2HD HIS 69 4.108 6.088 12.092 512 HE1 HIS 69 1HE HIS 69 3.459 4.366 8.275 513 HE2 HIS 69 2HE HIS 69 3.740 6.510 9.567 514 H HIS 70 H HIS 70 7.606 0.655 12.621 515 HA HIS 70 HA HIS 70 6.636 -0.746 10.292 516 1HB HIS 70 2HB HIS 70 8.550 -2.275 10.688 517 2HB HIS 70 1HB HIS 70 9.035 -0.590 10.592 518 HD1 HIS 70 1HD HIS 70 9.723 -3.511 12.488 519 HD2 HIS 70 2HD HIS 70 9.212 0.498 13.458 520 HE1 HIS 70 1HE HIS 70 10.826 -3.204 14.726 521 HE2 HIS 70 2HE HIS 70 10.455 -0.787 15.328 522 H GLY 71 H GLY 71 7.101 -1.628 13.720 523 1HA GLY 71 2HA GLY 71 6.154 -4.236 13.411 524 2HA GLY 71 1HA GLY 71 6.335 -3.391 14.933 525 H ASN 72 H ASN 72 4.580 -1.559 15.125 526 HA ASN 72 HA ASN 72 2.199 -2.816 15.679 527 1HB ASN 72 2HB ASN 72 3.231 -0.327 16.133 528 2HB ASN 72 1HB ASN 72 1.918 0.035 15.018 529 1HD2 ASN 72 1HD2 ASN 72 2.060 0.820 17.737 530 2HD2 ASN 72 2HD2 ASN 72 0.735 0.075 18.564 531 H ALA 73 H ALA 73 3.125 -1.197 12.669 532 HA ALA 73 HA ALA 73 0.464 -1.039 11.658 533 1HB ALA 73 1HB ALA 73 2.236 0.465 10.894 534 2HB ALA 73 2HB ALA 73 1.494 -0.401 9.549 535 3HB ALA 73 3HB ALA 73 3.073 -0.899 10.155 536 H LYS 74 H LYS 74 3.104 -3.345 11.307 537 HA LYS 74 HA LYS 74 1.628 -4.926 9.394 538 1HB LYS 74 2HB LYS 74 4.207 -5.493 10.874 539 2HB LYS 74 1HB LYS 74 3.558 -6.462 9.552 540 1HG LYS 74 2HG LYS 74 3.812 -4.676 8.005 541 2HG LYS 74 1HG LYS 74 4.200 -3.537 9.291 542 1HD LYS 74 2HD LYS 74 6.260 -4.830 9.753 543 2HD LYS 74 1HD LYS 74 5.877 -5.870 8.375 544 1HE LYS 74 2HE LYS 74 5.935 -3.935 6.890 545 2HE LYS 74 1HE LYS 74 6.289 -2.885 8.259 546 1HZ LYS 74 1HZ LYS 74 8.267 -3.456 6.961 547 2HZ LYS 74 2HZ LYS 74 8.032 -5.094 7.323 548 3HZ LYS 74 3HZ LYS 74 8.383 -4.001 8.561 549 H ASP 75 H ASP 75 2.249 -4.910 12.820 550 HA ASP 75 HA ASP 75 1.064 -7.386 13.487 551 1HB ASP 75 2HB ASP 75 2.427 -6.195 15.086 552 2HB ASP 75 1HB ASP 75 1.358 -4.802 15.035 553 H PHE 76 H PHE 76 -0.236 -4.111 13.134 554 HA PHE 76 HA PHE 76 -2.893 -4.675 13.815 555 1HB PHE 76 2HB PHE 76 -1.455 -2.495 12.456 556 2HB PHE 76 1HB PHE 76 -3.139 -2.667 11.976 557 HD1 PHE 76 1HD PHE 76 -4.878 -2.733 13.832 558 HD2 PHE 76 2HD PHE 76 -0.901 -1.370 14.418 559 HE1 PHE 76 1HE PHE 76 -5.604 -1.497 15.835 560 HE2 PHE 76 2HE PHE 76 -1.611 -0.135 16.423 561 HZ PHE 76 HZ PHE 76 -3.966 -0.197 17.135 562 H ALA 77 H ALA 77 -1.137 -5.005 10.762 563 HA ALA 77 HA ALA 77 -3.472 -5.450 9.208 564 1HB ALA 77 1HB ALA 77 -0.762 -6.520 8.489 565 2HB ALA 77 2HB ALA 77 -1.147 -4.800 8.379 566 3HB ALA 77 3HB ALA 77 -2.053 -5.970 7.421 567 H MET 78 H MET 78 -1.253 -7.663 10.880 568 HA MET 78 HA MET 78 -2.632 -9.947 9.822 569 1HB MET 78 2HB MET 78 -1.272 -11.286 11.509 570 2HB MET 78 1HB MET 78 -0.433 -10.518 10.176 571 1HG MET 78 2HG MET 78 0.664 -9.063 11.520 572 2HG MET 78 1HG MET 78 -0.598 -9.072 12.745 573 1HE MET 78 1HE MET 78 2.548 -10.389 14.681 574 2HE MET 78 2HE MET 78 1.292 -9.154 14.614 575 3HE MET 78 3HE MET 78 2.555 -9.192 13.386 576 H LYS 79 H LYS 79 -3.260 -7.920 12.520 577 HA LYS 79 HA LYS 79 -4.929 -10.028 13.645 578 1HB LYS 79 2HB LYS 79 -5.569 -8.413 15.362 579 2HB LYS 79 1HB LYS 79 -3.824 -8.547 15.221 580 1HG LYS 79 2HG LYS 79 -3.773 -6.465 13.941 581 2HG LYS 79 1HG LYS 79 -5.526 -6.330 14.104 582 1HD LYS 79 2HD LYS 79 -4.426 -4.937 15.757 583 2HD LYS 79 1HD LYS 79 -5.269 -6.268 16.553 584 1HE LYS 79 2HE LYS 79 -3.151 -7.493 16.719 585 2HE LYS 79 1HE LYS 79 -2.319 -6.146 15.943 586 1HZ LYS 79 1HZ LYS 79 -3.157 -4.747 17.832 587 2HZ LYS 79 2HZ LYS 79 -1.992 -5.905 18.245 588 3HZ LYS 79 3HZ LYS 79 -3.626 -6.183 18.602 589 H HIS 80 H HIS 80 -5.226 -7.451 11.379 590 HA HIS 80 HA HIS 80 -7.885 -8.409 10.818 591 1HB HIS 80 2HB HIS 80 -8.831 -6.088 10.572 592 2HB HIS 80 1HB HIS 80 -8.601 -6.649 12.221 593 HD1 HIS 80 1HD HIS 80 -7.599 -4.022 9.832 594 HD2 HIS 80 2HD HIS 80 -6.549 -5.300 13.636 595 HE1 HIS 80 1HE HIS 80 -6.236 -2.150 10.814 596 HE2 HIS 80 2HE HIS 80 -5.682 -2.921 13.148 597 H GLY 81 H GLY 81 -7.364 -9.182 8.866 598 1HA GLY 81 2HA GLY 81 -7.632 -8.190 6.528 599 2HA GLY 81 1HA GLY 81 -6.162 -7.310 6.922 600 H ALA 82 H ALA 82 -4.221 -8.602 7.391 601 HA ALA 82 HA ALA 82 -4.139 -11.033 5.776 602 1HB ALA 82 1HB ALA 82 -1.808 -9.836 7.285 603 2HB ALA 82 2HB ALA 82 -2.312 -9.257 5.696 604 3HB ALA 82 3HB ALA 82 -1.784 -10.926 5.900 605 H ASP 83 H ASP 83 -3.542 -13.094 6.723 606 HA ASP 83 HA ASP 83 -4.255 -13.238 9.540 607 1HB ASP 83 2HB ASP 83 -4.609 -15.505 9.287 608 2HB ASP 83 1HB ASP 83 -5.056 -14.869 7.721 609 H GLU 84 H GLU 84 -2.784 -14.899 10.858 610 HA GLU 84 HA GLU 84 -0.532 -13.282 10.972 611 1HB GLU 84 2HB GLU 84 -0.350 -13.903 13.146 612 2HB GLU 84 1HB GLU 84 -2.004 -14.343 12.816 613 1HG GLU 84 2HG GLU 84 -0.940 -15.949 14.200 614 2HG GLU 84 1HG GLU 84 -1.420 -16.685 12.695 615 H THR 85 H THR 85 -1.220 -16.291 9.640 616 HA THR 85 HA THR 85 1.454 -17.293 9.506 617 HB THR 85 HB THR 85 -1.218 -18.054 8.562 618 HG1 THR 85 1HG THR 85 -0.087 -20.199 9.012 619 1HG2 THR 85 1HG2 THR 85 -0.127 -17.938 6.394 620 2HG2 THR 85 2HG2 THR 85 -0.404 -19.621 6.847 621 3HG2 THR 85 3HG2 THR 85 1.212 -18.923 6.988 622 H MET 86 H MET 86 -0.620 -15.222 7.578 623 HA MET 86 HA MET 86 1.033 -15.264 5.261 624 1HB MET 86 2HB MET 86 -1.251 -14.963 4.847 625 2HB MET 86 1HB MET 86 -1.422 -13.796 6.147 626 1HG MET 86 2HG MET 86 -1.615 -12.719 4.011 627 2HG MET 86 1HG MET 86 -0.175 -12.186 4.876 628 1HE MET 86 1HE MET 86 -0.412 -11.330 2.179 629 2HE MET 86 2HE MET 86 -1.161 -12.666 1.302 630 3HE MET 86 3HE MET 86 0.492 -12.178 0.924 631 H ALA 87 H ALA 87 0.363 -13.003 7.885 632 HA ALA 87 HA ALA 87 2.206 -11.044 7.040 633 1HB ALA 87 1HB ALA 87 0.959 -11.691 9.694 634 2HB ALA 87 2HB ALA 87 0.661 -10.320 8.621 635 3HB ALA 87 3HB ALA 87 2.170 -10.417 9.526 636 H GLN 88 H GLN 88 2.533 -13.910 9.079 637 HA GLN 88 HA GLN 88 5.149 -13.293 10.013 638 1HB GLN 88 2HB GLN 88 3.273 -15.537 10.256 639 2HB GLN 88 1HB GLN 88 4.968 -16.001 10.309 640 1HG GLN 88 2HG GLN 88 3.843 -15.519 12.521 641 2HG GLN 88 1HG GLN 88 5.378 -14.709 12.218 642 1HE2 GLN 88 1HE2 GLN 88 1.921 -14.304 12.597 643 2HE2 GLN 88 2HE2 GLN 88 1.970 -12.564 12.699 644 H GLN 89 H GLN 89 3.969 -14.950 7.144 645 HA GLN 89 HA GLN 89 6.625 -15.889 6.487 646 1HB GLN 89 2HB GLN 89 5.695 -16.731 4.450 647 2HB GLN 89 1HB GLN 89 4.554 -17.083 5.738 648 1HG GLN 89 2HG GLN 89 3.216 -15.141 5.050 649 2HG GLN 89 1HG GLN 89 4.338 -14.864 3.720 650 1HE2 GLN 89 1HE2 GLN 89 1.512 -15.411 3.587 651 2HE2 GLN 89 2HE2 GLN 89 1.327 -16.866 2.673 652 H LEU 90 H LEU 90 4.659 -13.094 5.892 653 HA LEU 90 HA LEU 90 6.249 -12.056 3.748 654 1HB LEU 90 2HB LEU 90 3.747 -11.567 4.630 655 2HB LEU 90 1HB LEU 90 4.590 -10.230 5.383 656 HG LEU 90 HG LEU 90 4.590 -10.818 2.419 657 1HD1 LEU 90 1HD1 LEU 90 2.385 -10.154 3.188 658 2HD1 LEU 90 2HD1 LEU 90 3.130 -8.862 2.246 659 3HD1 LEU 90 3HD1 LEU 90 3.075 -8.752 4.006 660 1HD2 LEU 90 1HD2 LEU 90 5.598 -8.421 3.950 661 2HD2 LEU 90 2HD2 LEU 90 5.571 -8.599 2.196 662 3HD2 LEU 90 3HD2 LEU 90 6.602 -9.645 3.172 663 H VAL 91 H VAL 91 5.940 -11.392 7.219 664 HA VAL 91 HA VAL 91 7.624 -9.176 7.396 665 HB VAL 91 HB VAL 91 7.889 -9.780 9.796 666 1HG1 VAL 91 1HG1 VAL 91 5.397 -9.787 10.324 667 2HG1 VAL 91 2HG1 VAL 91 5.154 -9.800 8.574 668 3HG1 VAL 91 3HG1 VAL 91 6.005 -8.456 9.335 669 1HG2 VAL 91 1HG2 VAL 91 6.626 -12.282 8.851 670 2HG2 VAL 91 2HG2 VAL 91 6.367 -11.737 10.507 671 3HG2 VAL 91 3HG2 VAL 91 8.002 -12.067 9.929 672 H ASP 92 H ASP 92 8.407 -12.596 7.388 673 HA ASP 92 HA ASP 92 11.023 -12.358 8.389 674 1HB ASP 92 2HB ASP 92 10.043 -14.495 8.511 675 2HB ASP 92 1HB ASP 92 9.626 -14.505 6.803 676 H ILE 93 H ILE 93 9.753 -12.533 5.076 677 HA ILE 93 HA ILE 93 12.174 -12.241 3.721 678 HB ILE 93 HB ILE 93 9.341 -11.985 3.065 679 1HG1 ILE 93 2HG1 ILE 93 10.144 -13.030 0.951 680 2HG1 ILE 93 1HG1 ILE 93 11.787 -12.858 1.555 681 1HG2 ILE 93 1HG2 ILE 93 11.233 -10.000 1.999 682 2HG2 ILE 93 2HG2 ILE 93 9.478 -9.916 2.177 683 3HG2 ILE 93 3HG2 ILE 93 10.187 -10.789 0.818 684 1HD1 ILE 93 1HD1 ILE 93 9.617 -14.481 2.856 685 2HD1 ILE 93 2HD1 ILE 93 11.291 -14.348 3.399 686 3HD1 ILE 93 3HD1 ILE 93 10.922 -15.121 1.857 687 H ILE 94 H ILE 94 9.919 -9.845 5.010 688 HA ILE 94 HA ILE 94 11.091 -7.530 4.030 689 HB ILE 94 HB ILE 94 9.802 -7.886 6.738 690 1HG1 ILE 94 2HG1 ILE 94 8.629 -7.072 4.070 691 2HG1 ILE 94 1HG1 ILE 94 8.349 -8.599 4.901 692 1HG2 ILE 94 1HG2 ILE 94 10.277 -5.400 5.093 693 2HG2 ILE 94 2HG2 ILE 94 11.087 -5.825 6.601 694 3HG2 ILE 94 3HG2 ILE 94 9.358 -5.474 6.597 695 1HD1 ILE 94 1HD1 ILE 94 7.596 -5.910 5.987 696 2HD1 ILE 94 2HD1 ILE 94 7.185 -7.483 6.670 697 3HD1 ILE 94 3HD1 ILE 94 6.499 -6.985 5.123 698 H HIS 95 H HIS 95 11.831 -9.354 6.974 699 HA HIS 95 HA HIS 95 13.733 -7.471 7.953 700 1HB HIS 95 2HB HIS 95 13.640 -10.416 8.625 701 2HB HIS 95 1HB HIS 95 14.404 -9.146 9.551 702 HD1 HIS 95 1HD HIS 95 12.247 -11.072 10.711 703 HD2 HIS 95 2HD HIS 95 11.501 -7.243 9.254 704 HE1 HIS 95 1HE HIS 95 10.130 -10.312 11.842 705 HE2 HIS 95 2HE HIS 95 9.618 -8.058 10.832 706 H GLY 96 H GLY 96 13.902 -10.160 5.753 707 1HA GLY 96 2HA GLY 96 16.761 -10.447 6.000 708 2HA GLY 96 1HA GLY 96 15.716 -11.299 4.871 709 H CYS 97 H CYS 97 14.588 -9.345 3.371 710 HA CYS 97 HA CYS 97 16.827 -8.515 1.856 711 1HB CYS 97 2HB CYS 97 13.886 -8.351 1.430 712 2HB CYS 97 1HB CYS 97 14.949 -7.339 0.448 713 H GLU 98 H GLU 98 14.579 -6.731 4.002 714 HA GLU 98 HA GLU 98 15.655 -4.184 3.684 715 1HB GLU 98 2HB GLU 98 13.788 -4.429 5.121 716 2HB GLU 98 1HB GLU 98 14.586 -5.651 6.092 717 1HG GLU 98 2HG GLU 98 14.480 -3.702 7.400 718 2HG GLU 98 1HG GLU 98 16.154 -3.865 6.882 719 H LYS 99 H LYS 99 16.901 -6.934 5.526 720 HA LYS 99 HA LYS 99 19.084 -5.639 6.729 721 1HB LYS 99 2HB LYS 99 18.377 -7.795 7.500 722 2HB LYS 99 1HB LYS 99 18.616 -8.508 5.914 723 1HG LYS 99 2HG LYS 99 21.067 -8.012 6.187 724 2HG LYS 99 1HG LYS 99 20.709 -7.606 7.869 725 1HD LYS 99 2HD LYS 99 21.466 -9.939 7.610 726 2HD LYS 99 1HD LYS 99 19.823 -9.836 8.246 727 1HE LYS 99 2HE LYS 99 18.914 -10.295 6.044 728 2HE LYS 99 1HE LYS 99 20.535 -10.308 5.352 729 1HZ LYS 99 1HZ LYS 99 19.471 -12.235 7.351 730 2HZ LYS 99 2HZ LYS 99 21.057 -12.223 6.752 731 3HZ LYS 99 3HZ LYS 99 19.762 -12.542 5.707 732 H SER 100 H SER 100 18.727 -7.237 3.593 733 HA SER 100 HA SER 100 21.493 -6.526 2.913 734 1HB SER 100 2HB SER 100 19.580 -8.296 1.377 735 2HB SER 100 1HB SER 100 21.319 -8.147 1.136 736 HG SER 100 HG SER 100 20.266 -9.959 2.532 737 H ALA 101 H ALA 101 19.138 -4.638 2.958 738 HA ALA 101 HA ALA 101 18.793 -3.986 0.144 739 1HB ALA 101 1HB ALA 101 17.637 -2.809 2.669 740 2HB ALA 101 2HB ALA 101 16.799 -3.751 1.421 741 3HB ALA 101 3HB ALA 101 17.367 -2.114 1.071 742 HA PRO 102 HA PRO 102 22.020 -1.001 -0.045 743 1HB PRO 102 2HB PRO 102 20.988 0.817 -1.775 744 2HB PRO 102 1HB PRO 102 21.541 -0.783 -2.285 745 1HG PRO 102 2HG PRO 102 18.760 0.173 -1.724 746 2HG PRO 102 1HG PRO 102 19.347 -0.841 -3.055 747 1HD PRO 102 2HD PRO 102 18.101 -1.869 -0.883 748 2HD PRO 102 1HD PRO 102 19.372 -2.748 -1.759 749 HA PRO 103 HA PRO 103 21.258 2.371 2.743 750 1HB PRO 103 2HB PRO 103 23.157 4.025 1.223 751 2HB PRO 103 1HB PRO 103 23.281 3.404 2.871 752 1HG PRO 103 2HG PRO 103 24.810 2.438 0.889 753 2HG PRO 103 1HG PRO 103 24.194 1.396 2.186 754 1HD PRO 103 2HD PRO 103 23.167 1.745 -0.611 755 2HD PRO 103 1HD PRO 103 23.404 0.249 0.322 756 H ASN 104 H ASN 104 19.198 2.360 1.101 757 HA ASN 104 HA ASN 104 18.975 5.051 -0.056 758 1HB ASN 104 2HB ASN 104 17.293 2.564 -0.438 759 2HB ASN 104 1HB ASN 104 16.846 4.141 -1.073 760 1HD2 ASN 104 1HD2 ASN 104 16.901 3.346 -3.176 761 2HD2 ASN 104 2HD2 ASN 104 18.388 3.023 -3.997 762 H ASP 105 H ASP 105 18.162 6.517 1.256 763 HA ASP 105 HA ASP 105 16.815 5.769 3.682 764 1HB ASP 105 2HB ASP 105 17.604 8.413 2.476 765 2HB ASP 105 1HB ASP 105 16.693 8.305 3.976 766 H ASP 106 H ASP 106 15.423 5.494 0.914 767 HA ASP 106 HA ASP 106 13.208 7.349 1.277 768 1HB ASP 106 2HB ASP 106 14.123 7.017 -0.998 769 2HB ASP 106 1HB ASP 106 13.657 5.320 -0.923 770 H LYS 107 H LYS 107 11.743 6.829 2.635 771 HA LYS 107 HA LYS 107 11.172 4.531 3.899 772 1HB LYS 107 2HB LYS 107 9.678 6.947 3.311 773 2HB LYS 107 1HB LYS 107 8.635 5.561 3.588 774 1HG LYS 107 2HG LYS 107 8.971 6.709 5.660 775 2HG LYS 107 1HG LYS 107 9.798 5.157 5.727 776 1HD LYS 107 2HD LYS 107 11.246 7.688 4.980 777 2HD LYS 107 1HD LYS 107 11.020 7.213 6.663 778 1HE LYS 107 2HE LYS 107 12.180 5.113 6.239 779 2HE LYS 107 1HE LYS 107 12.371 5.546 4.542 780 1HZ LYS 107 1HZ LYS 107 14.393 6.022 5.652 781 2HZ LYS 107 2HZ LYS 107 13.609 6.868 6.890 782 3HZ LYS 107 3HZ LYS 107 13.657 7.518 5.323 783 H CYS 108 H CYS 108 9.412 5.303 0.795 784 HA CYS 108 HA CYS 108 8.173 2.724 1.002 785 1HB CYS 108 2HB CYS 108 7.970 4.937 -1.033 786 2HB CYS 108 1HB CYS 108 7.178 3.379 -1.241 787 H MET 109 H MET 109 11.002 3.995 -0.563 788 HA MET 109 HA MET 109 11.173 2.179 -2.704 789 1HB MET 109 2HB MET 109 12.932 4.080 -1.396 790 2HB MET 109 1HB MET 109 13.799 2.638 -1.906 791 1HG MET 109 2HG MET 109 12.083 4.359 -3.681 792 2HG MET 109 1HG MET 109 13.842 4.420 -3.587 793 1HE MET 109 1HE MET 109 14.818 0.849 -4.930 794 2HE MET 109 2HE MET 109 14.518 1.289 -3.249 795 3HE MET 109 3HE MET 109 15.425 2.380 -4.295 796 H LYS 110 H LYS 110 12.322 2.028 0.601 797 HA LYS 110 HA LYS 110 13.727 -0.428 0.337 798 1HB LYS 110 2HB LYS 110 13.518 -0.535 2.871 799 2HB LYS 110 1HB LYS 110 14.405 0.825 2.202 800 1HG LYS 110 2HG LYS 110 12.911 2.329 2.990 801 2HG LYS 110 1HG LYS 110 11.529 1.256 2.732 802 1HD LYS 110 2HD LYS 110 11.727 1.489 5.062 803 2HD LYS 110 1HD LYS 110 12.436 -0.084 4.700 804 1HE LYS 110 2HE LYS 110 14.035 2.450 5.029 805 2HE LYS 110 1HE LYS 110 13.740 1.299 6.329 806 1HZ LYS 110 1HZ LYS 110 14.908 -0.392 5.104 807 2HZ LYS 110 2HZ LYS 110 15.901 0.978 5.243 808 3HZ LYS 110 3HZ LYS 110 15.117 0.645 3.779 809 H THR 111 H THR 111 10.582 0.309 1.759 810 HA THR 111 HA THR 111 9.731 -2.271 2.206 811 HB THR 111 HB THR 111 8.661 0.297 2.387 812 HG1 THR 111 1HG THR 111 6.877 -1.510 3.215 813 1HG2 THR 111 1HG2 THR 111 7.421 0.138 0.313 814 2HG2 THR 111 2HG2 THR 111 6.285 -0.088 1.644 815 3HG2 THR 111 3HG2 THR 111 6.855 -1.483 0.730 816 H ILE 112 H ILE 112 10.437 -0.893 -0.829 817 HA ILE 112 HA ILE 112 8.470 -2.536 -2.224 818 HB ILE 112 HB ILE 112 9.940 -0.134 -2.887 819 1HG1 ILE 112 2HG1 ILE 112 8.056 0.123 -4.499 820 2HG1 ILE 112 1HG1 ILE 112 7.512 -1.489 -4.049 821 1HG2 ILE 112 1HG2 ILE 112 9.818 -2.266 -5.013 822 2HG2 ILE 112 2HG2 ILE 112 11.281 -1.585 -4.298 823 3HG2 ILE 112 3HG2 ILE 112 10.228 -0.570 -5.283 824 1HD1 ILE 112 1HD1 ILE 112 7.821 0.772 -2.100 825 2HD1 ILE 112 2HD1 ILE 112 7.027 -0.785 -1.836 826 3HD1 ILE 112 3HD1 ILE 112 6.316 0.392 -2.941 827 H ASP 113 H ASP 113 11.996 -2.169 -1.845 828 HA ASP 113 HA ASP 113 12.659 -4.310 -3.553 829 1HB ASP 113 2HB ASP 113 14.828 -4.425 -2.404 830 2HB ASP 113 1HB ASP 113 14.424 -2.780 -2.873 831 H VAL 114 H VAL 114 11.667 -4.206 -0.197 832 HA VAL 114 HA VAL 114 12.320 -6.970 0.214 833 HB VAL 114 HB VAL 114 11.102 -6.741 2.361 834 1HG1 VAL 114 1HG1 VAL 114 13.447 -5.157 1.506 835 2HG1 VAL 114 2HG1 VAL 114 13.308 -6.434 2.722 836 3HG1 VAL 114 3HG1 VAL 114 12.767 -4.799 3.098 837 1HG2 VAL 114 1HG2 VAL 114 10.908 -3.883 1.584 838 2HG2 VAL 114 2HG2 VAL 114 10.438 -4.564 3.131 839 3HG2 VAL 114 3HG2 VAL 114 9.540 -4.978 1.666 840 H ALA 115 H ALA 115 9.404 -5.072 -0.510 841 HA ALA 115 HA ALA 115 7.519 -7.146 -0.338 842 1HB ALA 115 1HB ALA 115 7.186 -4.637 -0.647 843 2HB ALA 115 2HB ALA 115 6.059 -5.722 -1.469 844 3HB ALA 115 3HB ALA 115 7.366 -4.953 -2.375 845 H MET 116 H MET 116 9.351 -5.981 -3.188 846 HA MET 116 HA MET 116 8.328 -8.062 -4.805 847 1HB MET 116 2HB MET 116 10.014 -7.481 -6.490 848 2HB MET 116 1HB MET 116 9.064 -6.111 -5.959 849 1HG MET 116 2HG MET 116 10.921 -5.263 -4.682 850 2HG MET 116 1HG MET 116 11.879 -6.701 -5.060 851 1HE MET 116 1HE MET 116 12.840 -3.646 -5.557 852 2HE MET 116 2HE MET 116 13.655 -3.875 -7.105 853 3HE MET 116 3HE MET 116 13.822 -5.085 -5.831 854 H CYS 117 H CYS 117 10.679 -7.967 -2.422 855 HA CYS 117 HA CYS 117 12.305 -10.169 -3.248 856 1HB CYS 117 2HB CYS 117 13.202 -8.579 -1.674 857 2HB CYS 117 1HB CYS 117 11.842 -8.808 -0.589 858 H PHE 118 H PHE 118 9.305 -9.726 -1.546 859 HA PHE 118 HA PHE 118 9.220 -12.341 -0.456 860 1HB PHE 118 2HB PHE 118 7.938 -10.569 0.600 861 2HB PHE 118 1HB PHE 118 6.997 -10.323 -0.865 862 HD1 PHE 118 1HD PHE 118 4.968 -11.426 -1.123 863 HD2 PHE 118 2HD PHE 118 7.801 -12.911 1.690 864 HE1 PHE 118 1HE PHE 118 3.314 -13.057 -0.320 865 HE2 PHE 118 2HE PHE 118 6.151 -14.544 2.490 866 HZ PHE 118 HZ PHE 118 3.905 -14.619 1.487 867 H LYS 119 H LYS 119 7.763 -10.854 -3.397 868 HA LYS 119 HA LYS 119 6.535 -13.368 -4.037 869 1HB LYS 119 2HB LYS 119 5.369 -12.244 -5.523 870 2HB LYS 119 1HB LYS 119 6.279 -10.807 -5.164 871 1HG LYS 119 2HG LYS 119 7.217 -12.812 -7.189 872 2HG LYS 119 1HG LYS 119 6.075 -11.536 -7.600 873 1HD LYS 119 2HD LYS 119 8.828 -11.095 -6.449 874 2HD LYS 119 1HD LYS 119 8.414 -10.971 -8.159 875 1HE LYS 119 2HE LYS 119 7.315 -9.282 -5.917 876 2HE LYS 119 1HE LYS 119 8.480 -8.771 -7.137 877 1HZ LYS 119 1HZ LYS 119 5.642 -9.527 -7.590 878 2HZ LYS 119 2HZ LYS 119 6.749 -9.221 -8.835 879 3HZ LYS 119 3HZ LYS 119 6.324 -7.987 -7.756 880 H LYS 120 H LYS 120 9.715 -11.987 -4.832 881 HA LYS 120 HA LYS 120 10.621 -13.881 -6.621 882 1HB LYS 120 2HB LYS 120 11.805 -12.022 -4.843 883 2HB LYS 120 1HB LYS 120 12.606 -13.565 -4.572 884 1HG LYS 120 2HG LYS 120 13.860 -12.445 -6.216 885 2HG LYS 120 1HG LYS 120 12.938 -13.690 -7.067 886 1HD LYS 120 2HD LYS 120 12.842 -11.602 -8.294 887 2HD LYS 120 1HD LYS 120 11.250 -12.003 -7.651 888 1HE LYS 120 2HE LYS 120 11.711 -9.656 -7.325 889 2HE LYS 120 1HE LYS 120 11.616 -10.485 -5.782 890 1HZ LYS 120 1HZ LYS 120 13.474 -9.011 -5.727 891 2HZ LYS 120 2HZ LYS 120 14.091 -9.617 -7.185 892 3HZ LYS 120 3HZ LYS 120 14.083 -10.591 -5.797 893 H GLU 121 H GLU 121 10.843 -14.132 -3.072 894 HA GLU 121 HA GLU 121 11.655 -16.784 -2.969 895 1HB GLU 121 2HB GLU 121 10.217 -15.023 -1.033 896 2HB GLU 121 1HB GLU 121 10.473 -16.720 -0.651 897 1HG GLU 121 2HG GLU 121 12.646 -14.755 -1.337 898 2HG GLU 121 1HG GLU 121 12.198 -15.262 0.289 899 H ILE 122 H ILE 122 8.248 -15.596 -2.693 900 HA ILE 122 HA ILE 122 7.103 -18.100 -2.449 901 HB ILE 122 HB ILE 122 6.145 -15.546 -2.486 902 1HG1 ILE 122 2HG1 ILE 122 5.322 -17.687 -1.365 903 2HG1 ILE 122 1HG1 ILE 122 4.121 -16.475 -1.783 904 1HG2 ILE 122 1HG2 ILE 122 4.659 -16.820 -4.755 905 2HG2 ILE 122 2HG2 ILE 122 6.049 -15.771 -5.048 906 3HG2 ILE 122 3HG2 ILE 122 4.634 -15.144 -4.204 907 1HD1 ILE 122 1HD1 ILE 122 3.541 -17.770 -3.781 908 2HD1 ILE 122 2HD1 ILE 122 3.317 -18.698 -2.296 909 3HD1 ILE 122 3HD1 ILE 122 4.726 -18.992 -3.317 910 H HIS 123 H HIS 123 8.175 -16.419 -5.383 911 HA HIS 123 HA HIS 123 7.068 -18.361 -7.158 912 1HB HIS 123 2HB HIS 123 9.199 -16.261 -7.467 913 2HB HIS 123 1HB HIS 123 8.854 -17.405 -8.758 914 HD1 HIS 123 1HD HIS 123 8.103 -15.378 -10.234 915 HD2 HIS 123 2HD HIS 123 5.767 -16.039 -6.858 916 HE1 HIS 123 1HE HIS 123 6.012 -14.032 -10.581 917 HE2 HIS 123 2HE HIS 123 4.523 -14.650 -8.652 918 H LYS 124 H LYS 124 10.061 -18.167 -5.324 919 HA LYS 124 HA LYS 124 11.414 -20.184 -6.830 920 1HB LYS 124 2HB LYS 124 12.609 -18.378 -5.745 921 2HB LYS 124 1HB LYS 124 11.969 -18.854 -4.182 922 1HG LYS 124 2HG LYS 124 13.190 -21.030 -4.472 923 2HG LYS 124 1HG LYS 124 13.986 -20.295 -5.872 924 1HD LYS 124 2HD LYS 124 14.852 -18.514 -4.494 925 2HD LYS 124 1HD LYS 124 13.961 -19.123 -3.101 926 1HE LYS 124 2HE LYS 124 16.238 -19.807 -2.864 927 2HE LYS 124 1HE LYS 124 15.296 -21.237 -3.286 928 1HZ LYS 124 1HZ LYS 124 16.035 -21.016 -5.575 929 2HZ LYS 124 2HZ LYS 124 17.369 -21.118 -4.532 930 3HZ LYS 124 3HZ LYS 124 16.915 -19.619 -5.182 931 H LEU 125 H LEU 125 9.623 -20.055 -3.747 932 HA LEU 125 HA LEU 125 10.239 -22.738 -3.079 933 1HB LEU 125 2HB LEU 125 8.247 -22.552 -1.516 934 2HB LEU 125 1HB LEU 125 9.655 -21.553 -1.237 935 HG LEU 125 HG LEU 125 8.074 -19.913 -2.761 936 1HD1 LEU 125 1HD1 LEU 125 6.153 -21.354 -2.664 937 2HD1 LEU 125 2HD1 LEU 125 5.873 -19.967 -1.613 938 3HD1 LEU 125 3HD1 LEU 125 6.318 -21.524 -0.917 939 1HD2 LEU 125 1HD2 LEU 125 9.447 -19.625 -0.657 940 2HD2 LEU 125 2HD2 LEU 125 7.976 -20.046 0.230 941 3HD2 LEU 125 3HD2 LEU 125 8.002 -18.622 -0.817 942 H ASN 126 H ASN 126 7.969 -21.475 -5.323 943 HA ASN 126 HA ASN 126 6.061 -23.485 -5.422 944 1HB ASN 126 2HB ASN 126 7.297 -21.818 -7.606 945 2HB ASN 126 1HB ASN 126 6.016 -22.982 -7.933 946 1HD2 ASN 126 1HD2 ASN 126 5.999 -20.111 -8.271 947 2HD2 ASN 126 2HD2 ASN 126 4.704 -19.516 -7.289 948 H TRP 127 H TRP 127 9.143 -23.375 -7.237 949 HA TRP 127 HA TRP 127 8.904 -26.283 -7.621 950 1HB TRP 127 2HB TRP 127 10.385 -25.965 -9.580 951 2HB TRP 127 1HB TRP 127 8.902 -25.026 -9.723 952 HD1 TRP 127 HD TRP 127 9.189 -22.315 -9.086 953 HE1 TRP 127 1HE TRP 127 11.167 -20.754 -9.582 954 HE3 TRP 127 3HE TRP 127 12.811 -25.829 -9.903 955 HZ2 TRP 127 2HZ TRP 127 13.901 -20.978 -10.251 956 HZ3 TRP 127 3HZ TRP 127 15.080 -25.070 -10.473 957 HH2 TRP 127 HH TRP 127 15.612 -22.694 -10.645 958 H VAL 128 H VAL 128 9.923 -24.922 -5.262 959 HA VAL 128 HA VAL 128 12.522 -24.280 -5.038 960 HB VAL 128 HB VAL 128 11.046 -24.100 -3.158 961 1HG1 VAL 128 1HG1 VAL 128 9.729 -26.115 -3.449 962 2HG1 VAL 128 2HG1 VAL 128 10.373 -26.030 -1.809 963 3HG1 VAL 128 3HG1 VAL 128 11.113 -27.108 -2.994 964 1HG2 VAL 128 1HG2 VAL 128 13.365 -25.916 -2.517 965 2HG2 VAL 128 2HG2 VAL 128 12.504 -24.903 -1.358 966 3HG2 VAL 128 3HG2 VAL 128 13.423 -24.160 -2.667 967 HA PRO 129 HA PRO 129 14.601 -28.127 -5.988 968 1HB PRO 129 2HB PRO 129 16.700 -27.024 -7.205 969 2HB PRO 129 1HB PRO 129 15.110 -27.060 -7.974 970 1HG PRO 129 2HG PRO 129 16.548 -24.798 -6.700 971 2HG PRO 129 1HG PRO 129 15.407 -24.787 -8.055 972 1HD PRO 129 2HD PRO 129 14.851 -24.185 -5.337 973 2HD PRO 129 1HD PRO 129 13.678 -24.356 -6.657 974 H ASN 130 H ASN 130 15.667 -25.449 -4.048 975 HA ASN 130 HA ASN 130 18.112 -26.813 -3.265 976 1HB ASN 130 2HB ASN 130 18.015 -24.303 -3.663 977 2HB ASN 130 1HB ASN 130 17.093 -24.195 -2.166 978 1HD2 ASN 130 1HD2 ASN 130 19.647 -23.018 -2.723 979 2HD2 ASN 130 2HD2 ASN 130 20.767 -23.684 -1.584 980 H MET 131 H MET 131 17.393 -28.559 -2.139 981 HA MET 131 HA MET 131 16.321 -27.932 0.532 982 1HB MET 131 2HB MET 131 16.042 -30.498 -1.055 983 2HB MET 131 1HB MET 131 15.500 -30.278 0.602 984 1HG MET 131 2HG MET 131 14.463 -28.790 -1.799 985 2HG MET 131 1HG MET 131 13.662 -30.131 -0.986 986 1HE MET 131 1HE MET 131 12.972 -28.524 2.564 987 2HE MET 131 2HE MET 131 14.441 -29.376 2.083 988 3HE MET 131 3HE MET 131 12.863 -29.994 1.596 989 H ASP 132 H ASP 132 19.036 -27.921 -0.619 990 HA ASP 132 HA ASP 132 20.291 -30.177 0.796 991 1HB ASP 132 2HB ASP 132 20.732 -30.312 -1.564 992 2HB ASP 132 1HB ASP 132 21.181 -28.612 -1.631 993 H LEU 133 H LEU 133 21.323 -29.660 2.588 994 HA LEU 133 HA LEU 133 23.030 -27.351 2.734 995 1HB LEU 133 2HB LEU 133 20.864 -26.318 3.235 996 2HB LEU 133 1HB LEU 133 20.587 -27.491 4.507 997 HG LEU 133 HG LEU 133 22.479 -26.589 5.775 998 1HD1 LEU 133 1HD1 LEU 133 23.603 -24.561 5.072 999 2HD1 LEU 133 2HD1 LEU 133 22.668 -24.532 3.578 1000 3HD1 LEU 133 3HD1 LEU 133 23.826 -25.829 3.869 1001 1HD2 LEU 133 1HD2 LEU 133 20.239 -25.692 6.140 1002 2HD2 LEU 133 2HD2 LEU 133 20.519 -24.473 4.896 1003 3HD2 LEU 133 3HD2 LEU 133 21.474 -24.458 6.378 1004 H VAL 134 H VAL 134 24.765 -28.307 3.544 1005 HA VAL 134 HA VAL 134 24.506 -30.440 5.487 1006 HB VAL 134 HB VAL 134 26.145 -30.829 3.788 1007 1HG1 VAL 134 1HG1 VAL 134 26.603 -28.549 3.095 1008 2HG1 VAL 134 2HG1 VAL 134 28.108 -29.394 3.458 1009 3HG1 VAL 134 3HG1 VAL 134 27.447 -28.237 4.613 1010 1HG2 VAL 134 1HG2 VAL 134 26.719 -31.671 5.983 1011 2HG2 VAL 134 2HG2 VAL 134 27.505 -30.145 6.389 1012 3HG2 VAL 134 3HG2 VAL 134 28.178 -31.176 5.125 1013 H ILE 135 H ILE 135 23.972 -29.712 7.442 1014 HA ILE 135 HA ILE 135 25.429 -27.435 8.556 1015 HB ILE 135 HB ILE 135 23.762 -27.229 10.243 1016 1HG1 ILE 135 2HG1 ILE 135 23.474 -29.621 10.806 1017 2HG1 ILE 135 1HG1 ILE 135 21.943 -28.776 10.639 1018 1HG2 ILE 135 1HG2 ILE 135 23.101 -26.361 8.102 1019 2HG2 ILE 135 2HG2 ILE 135 21.694 -26.993 8.957 1020 3HG2 ILE 135 3HG2 ILE 135 22.420 -27.922 7.647 1021 1HD1 ILE 135 1HD1 ILE 135 23.159 -30.851 8.878 1022 2HD1 ILE 135 2HD1 ILE 135 21.952 -29.734 8.243 1023 3HD1 ILE 135 3HD1 ILE 135 21.551 -30.790 9.597 1024 H GLY 136 H GLY 136 27.223 -27.856 9.697 1025 1HA GLY 136 2HA GLY 136 27.221 -29.475 11.965 1026 2HA GLY 136 1HA GLY 136 27.895 -30.423 10.648 1027 H GLU 137 H GLU 137 29.021 -29.226 13.164 1028 HA GLU 137 HA GLU 137 31.374 -28.034 11.858 1029 1HB GLU 137 2HB GLU 137 29.917 -26.408 13.244 1030 2HB GLU 137 1HB GLU 137 30.516 -27.280 14.650 1031 1HG GLU 137 2HG GLU 137 32.794 -26.699 14.082 1032 2HG GLU 137 1HG GLU 137 32.246 -25.901 12.608 1033 H VAL 138 H VAL 138 33.249 -28.143 13.648 1034 HA VAL 138 HA VAL 138 33.504 -30.985 14.105 1035 HB VAL 138 HB VAL 138 35.868 -30.536 14.623 1036 1HG1 VAL 138 1HG1 VAL 138 35.196 -30.902 12.324 1037 2HG1 VAL 138 2HG1 VAL 138 36.527 -29.750 12.404 1038 3HG1 VAL 138 3HG1 VAL 138 34.883 -29.179 12.122 1039 1HG2 VAL 138 1HG2 VAL 138 35.483 -27.651 13.894 1040 2HG2 VAL 138 2HG2 VAL 138 36.848 -28.429 14.693 1041 3HG2 VAL 138 3HG2 VAL 138 35.337 -28.185 15.566 1042 H LEU 139 H LEU 139 32.780 -31.846 15.936 1043 HA LEU 139 HA LEU 139 32.748 -30.437 18.424 1044 1HB LEU 139 2HB LEU 139 32.454 -33.369 17.761 1045 2HB LEU 139 1HB LEU 139 32.377 -32.752 19.398 1046 HG LEU 139 HG LEU 139 30.421 -31.326 18.655 1047 1HD1 LEU 139 1HD1 LEU 139 30.538 -33.128 16.242 1048 2HD1 LEU 139 2HD1 LEU 139 30.799 -31.384 16.256 1049 3HD1 LEU 139 3HD1 LEU 139 29.211 -32.041 16.653 1050 1HD2 LEU 139 1HD2 LEU 139 30.111 -34.322 18.473 1051 2HD2 LEU 139 2HD2 LEU 139 28.827 -33.163 18.817 1052 3HD2 LEU 139 3HD2 LEU 139 30.153 -33.375 19.960 1053 H ALA 140 H ALA 140 34.727 -29.703 18.974 1054 HA ALA 140 HA ALA 140 37.068 -31.329 18.422 1055 1HB ALA 140 1HB ALA 140 38.333 -29.306 18.902 1056 2HB ALA 140 2HB ALA 140 36.858 -28.497 19.430 1057 3HB ALA 140 3HB ALA 140 37.043 -28.981 17.745 1058 H GLU 141 H GLU 141 38.875 -31.192 20.068 1059 HA GLU 141 HA GLU 141 37.782 -31.978 22.677 1060 1HB GLU 141 2HB GLU 141 39.172 -33.635 21.485 1061 2HB GLU 141 1HB GLU 141 40.504 -32.491 21.452 1062 1HG GLU 141 2HG GLU 141 40.797 -34.172 23.185 1063 2HG GLU 141 1HG GLU 141 40.654 -32.554 23.869 1064 H VAL 142 H VAL 142 38.810 -31.207 24.606 1065 HA VAL 142 HA VAL 142 40.653 -28.985 24.348 1066 HB VAL 142 HB VAL 142 38.609 -27.775 24.098 1067 1HG1 VAL 142 1HG1 VAL 142 37.025 -29.393 24.944 1068 2HG1 VAL 142 2HG1 VAL 142 36.792 -27.841 25.750 1069 3HG1 VAL 142 3HG1 VAL 142 37.619 -29.155 26.587 1070 1HG2 VAL 142 1HG2 VAL 142 38.670 -26.288 26.033 1071 2HG2 VAL 142 2HG2 VAL 142 40.295 -26.735 25.511 1072 3HG2 VAL 142 3HG2 VAL 142 39.586 -27.496 26.935 Start of MODEL 6 1 1H SER 1 1HT SER 1 -6.319 -15.437 -4.696 2 2H SER 1 2HT SER 1 -6.236 -17.069 -4.245 3 3H SER 1 3HT SER 1 -5.254 -15.925 -3.470 4 HA SER 1 HA SER 1 -8.204 -16.029 -3.369 5 1HB SER 1 2HB SER 1 -7.834 -16.656 -0.988 6 2HB SER 1 1HB SER 1 -7.228 -17.862 -2.120 7 HG SER 1 HG SER 1 -5.915 -16.736 -0.176 8 HA PRO 2 HA PRO 2 -7.943 -11.797 -2.565 9 1HB PRO 2 2HB PRO 2 -10.456 -11.827 -1.124 10 2HB PRO 2 1HB PRO 2 -10.128 -11.304 -2.777 11 1HG PRO 2 2HG PRO 2 -11.584 -13.524 -2.180 12 2HG PRO 2 1HG PRO 2 -10.626 -13.356 -3.663 13 1HD PRO 2 2HD PRO 2 -9.945 -14.797 -1.121 14 2HD PRO 2 1HD PRO 2 -9.702 -15.311 -2.807 15 H GLU 3 H GLU 3 -7.428 -13.795 0.013 16 HA GLU 3 HA GLU 3 -8.110 -12.456 2.303 17 1HB GLU 3 2HB GLU 3 -5.639 -14.070 1.714 18 2HB GLU 3 1HB GLU 3 -5.966 -13.408 3.308 19 1HG GLU 3 2HG GLU 3 -6.762 -15.562 3.471 20 2HG GLU 3 1HG GLU 3 -8.219 -14.639 3.112 21 H ILE 4 H ILE 4 -4.742 -12.186 1.056 22 HA ILE 4 HA ILE 4 -4.569 -9.623 2.367 23 HB ILE 4 HB ILE 4 -2.699 -11.353 2.328 24 1HG1 ILE 4 2HG1 ILE 4 -0.949 -9.646 2.312 25 2HG1 ILE 4 1HG1 ILE 4 -2.013 -8.535 1.456 26 1HG2 ILE 4 1HG2 ILE 4 -2.689 -11.904 -0.020 27 2HG2 ILE 4 2HG2 ILE 4 -1.135 -11.192 0.414 28 3HG2 ILE 4 3HG2 ILE 4 -2.337 -10.230 -0.445 29 1HD1 ILE 4 1HD1 ILE 4 -2.425 -9.603 4.238 30 2HD1 ILE 4 2HD1 ILE 4 -3.512 -8.506 3.387 31 3HD1 ILE 4 3HD1 ILE 4 -1.882 -7.981 3.810 32 H MET 5 H MET 5 -5.628 -10.624 -0.612 33 HA MET 5 HA MET 5 -4.521 -8.532 -2.235 34 1HB MET 5 2HB MET 5 -6.650 -10.611 -2.672 35 2HB MET 5 1HB MET 5 -6.280 -9.387 -3.884 36 1HG MET 5 2HG MET 5 -3.952 -10.197 -3.935 37 2HG MET 5 1HG MET 5 -4.391 -11.457 -2.784 38 1HE MET 5 1HE MET 5 -6.549 -10.053 -5.769 39 2HE MET 5 2HE MET 5 -6.102 -11.164 -7.063 40 3HE MET 5 3HE MET 5 -4.906 -10.047 -6.408 41 H LYS 6 H LYS 6 -7.410 -9.041 -0.354 42 HA LYS 6 HA LYS 6 -8.751 -6.733 -1.476 43 1HB LYS 6 2HB LYS 6 -9.965 -8.799 -0.753 44 2HB LYS 6 1HB LYS 6 -9.532 -8.422 0.908 45 1HG LYS 6 2HG LYS 6 -10.869 -6.465 0.902 46 2HG LYS 6 1HG LYS 6 -11.114 -6.563 -0.845 47 1HD LYS 6 2HD LYS 6 -12.347 -8.648 -0.566 48 2HD LYS 6 1HD LYS 6 -12.079 -8.583 1.176 49 1HE LYS 6 2HE LYS 6 -13.385 -6.569 1.347 50 2HE LYS 6 1HE LYS 6 -13.552 -6.486 -0.406 51 1HZ LYS 6 1HZ LYS 6 -14.544 -8.786 1.176 52 2HZ LYS 6 2HZ LYS 6 -14.932 -8.369 -0.423 53 3HZ LYS 6 3HZ LYS 6 -15.496 -7.420 0.865 54 H ASN 7 H ASN 7 -7.608 -4.948 -1.001 55 HA ASN 7 HA ASN 7 -6.246 -4.554 1.466 56 1HB ASN 7 2HB ASN 7 -5.531 -3.644 -0.756 57 2HB ASN 7 1HB ASN 7 -6.877 -2.515 -0.677 58 1HD2 ASN 7 1HD2 ASN 7 -5.383 -0.806 -0.788 59 2HD2 ASN 7 2HD2 ASN 7 -4.457 -0.328 0.594 60 H LEU 8 H LEU 8 -7.133 -3.974 3.318 61 HA LEU 8 HA LEU 8 -9.843 -3.418 3.625 62 1HB LEU 8 2HB LEU 8 -7.574 -2.919 5.542 63 2HB LEU 8 1HB LEU 8 -9.268 -2.772 5.965 64 HG LEU 8 HG LEU 8 -9.389 -5.254 5.112 65 1HD1 LEU 8 1HD1 LEU 8 -6.524 -5.142 6.026 66 2HD1 LEU 8 2HD1 LEU 8 -7.004 -5.192 4.327 67 3HD1 LEU 8 3HD1 LEU 8 -7.416 -6.531 5.399 68 1HD2 LEU 8 1HD2 LEU 8 -8.944 -6.010 7.400 69 2HD2 LEU 8 2HD2 LEU 8 -9.896 -4.525 7.371 70 3HD2 LEU 8 3HD2 LEU 8 -8.176 -4.463 7.756 71 H SER 9 H SER 9 -7.108 -1.175 3.458 72 HA SER 9 HA SER 9 -8.575 1.114 4.212 73 1HB SER 9 2HB SER 9 -6.697 2.326 2.930 74 2HB SER 9 1HB SER 9 -6.244 1.345 4.322 75 HG SER 9 HG SER 9 -5.391 -0.157 3.023 76 H ASN 10 H ASN 10 -8.257 -0.589 1.196 77 HA ASN 10 HA ASN 10 -9.507 1.433 -0.413 78 1HB ASN 10 2HB ASN 10 -7.973 -0.297 -1.353 79 2HB ASN 10 1HB ASN 10 -9.179 -1.524 -0.983 80 1HD2 ASN 10 1HD2 ASN 10 -10.918 -1.782 -2.322 81 2HD2 ASN 10 2HD2 ASN 10 -11.110 -0.910 -3.804 82 H ASN 11 H ASN 11 -10.540 -1.240 1.567 83 HA ASN 11 HA ASN 11 -13.241 -1.363 0.711 84 1HB ASN 11 2HB ASN 11 -11.955 -2.016 3.370 85 2HB ASN 11 1HB ASN 11 -13.662 -2.277 3.043 86 1HD2 ASN 11 1HD2 ASN 11 -13.445 -4.476 3.409 87 2HD2 ASN 11 2HD2 ASN 11 -12.677 -5.524 2.269 88 H PHE 12 H PHE 12 -11.653 0.370 3.375 89 HA PHE 12 HA PHE 12 -13.756 1.978 4.185 90 1HB PHE 12 2HB PHE 12 -10.808 2.606 4.041 91 2HB PHE 12 1HB PHE 12 -11.983 3.681 4.790 92 HD1 PHE 12 1HD PHE 12 -9.747 1.026 5.331 93 HD2 PHE 12 2HD PHE 12 -13.487 2.584 6.622 94 HE1 PHE 12 1HE PHE 12 -9.536 -0.228 7.436 95 HE2 PHE 12 2HE PHE 12 -13.286 1.333 8.730 96 HZ PHE 12 HZ PHE 12 -11.307 -0.075 9.139 97 H GLY 13 H GLY 13 -11.172 3.566 2.283 98 1HA GLY 13 2HA GLY 13 -11.322 5.282 0.767 99 2HA GLY 13 1HA GLY 13 -12.490 4.230 -0.013 100 H LYS 14 H LYS 14 -12.880 5.828 3.125 101 HA LYS 14 HA LYS 14 -15.478 6.704 2.483 102 1HB LYS 14 2HB LYS 14 -13.716 7.719 4.715 103 2HB LYS 14 1HB LYS 14 -15.471 7.799 4.637 104 1HG LYS 14 2HG LYS 14 -15.517 5.308 4.642 105 2HG LYS 14 1HG LYS 14 -13.774 5.327 4.909 106 1HD LYS 14 2HD LYS 14 -14.783 5.063 7.040 107 2HD LYS 14 1HD LYS 14 -14.225 6.736 6.955 108 1HE LYS 14 2HE LYS 14 -16.483 7.469 6.397 109 2HE LYS 14 1HE LYS 14 -17.045 5.798 6.440 110 1HZ LYS 14 1HZ LYS 14 -17.604 6.804 8.494 111 2HZ LYS 14 2HZ LYS 14 -16.041 7.418 8.715 112 3HZ LYS 14 3HZ LYS 14 -16.317 5.746 8.808 113 H ALA 15 H ALA 15 -12.358 8.333 2.492 114 HA ALA 15 HA ALA 15 -13.497 10.386 0.763 115 1HB ALA 15 1HB ALA 15 -11.790 11.129 3.131 116 2HB ALA 15 2HB ALA 15 -13.545 11.284 3.094 117 3HB ALA 15 3HB ALA 15 -12.553 12.222 1.978 118 H MET 16 H MET 16 -12.383 9.572 -0.942 119 HA MET 16 HA MET 16 -9.675 8.716 -0.785 120 1HB MET 16 2HB MET 16 -11.397 7.865 -2.393 121 2HB MET 16 1HB MET 16 -11.271 9.390 -3.256 122 1HG MET 16 2HG MET 16 -8.964 8.950 -3.785 123 2HG MET 16 1HG MET 16 -8.996 7.472 -2.822 124 1HE MET 16 1HE MET 16 -11.373 8.076 -6.734 125 2HE MET 16 2HE MET 16 -10.288 9.282 -6.041 126 3HE MET 16 3HE MET 16 -11.796 8.879 -5.221 127 H ASP 17 H ASP 17 -11.267 11.690 -1.662 128 HA ASP 17 HA ASP 17 -9.252 12.989 -3.088 129 1HB ASP 17 2HB ASP 17 -11.525 13.834 -2.984 130 2HB ASP 17 1HB ASP 17 -11.350 14.146 -1.257 131 H GLN 18 H GLN 18 -9.500 12.386 0.300 132 HA GLN 18 HA GLN 18 -7.677 14.574 0.899 133 1HB GLN 18 2HB GLN 18 -9.257 12.715 2.656 134 2HB GLN 18 1HB GLN 18 -8.014 13.784 3.301 135 1HG GLN 18 2HG GLN 18 -9.339 15.616 1.977 136 2HG GLN 18 1HG GLN 18 -10.659 14.459 2.105 137 1HE2 GLN 18 1HE2 GLN 18 -10.348 17.095 3.329 138 2HE2 GLN 18 2HE2 GLN 18 -10.507 16.841 5.035 139 H CYS 19 H CYS 19 -7.625 11.158 0.455 140 HA CYS 19 HA CYS 19 -5.040 10.804 1.634 141 1HB CYS 19 2HB CYS 19 -6.437 8.849 1.386 142 2HB CYS 19 1HB CYS 19 -6.589 9.106 -0.343 143 H LYS 20 H LYS 20 -6.332 11.617 -1.531 144 HA LYS 20 HA LYS 20 -3.963 11.478 -3.040 145 1HB LYS 20 2HB LYS 20 -6.614 11.957 -3.526 146 2HB LYS 20 1HB LYS 20 -5.926 13.561 -3.748 147 1HG LYS 20 2HG LYS 20 -4.957 11.074 -5.132 148 2HG LYS 20 1HG LYS 20 -6.067 12.258 -5.828 149 1HD LYS 20 2HD LYS 20 -3.362 13.009 -4.771 150 2HD LYS 20 1HD LYS 20 -3.618 12.479 -6.424 151 1HE LYS 20 2HE LYS 20 -4.887 14.855 -5.078 152 2HE LYS 20 1HE LYS 20 -3.635 14.904 -6.316 153 1HZ LYS 20 1HZ LYS 20 -6.311 13.707 -6.769 154 2HZ LYS 20 2HZ LYS 20 -5.140 14.085 -7.932 155 3HZ LYS 20 3HZ LYS 20 -5.952 15.325 -7.111 156 H ASP 21 H ASP 21 -5.515 14.133 -1.253 157 HA ASP 21 HA ASP 21 -3.571 16.072 -1.987 158 1HB ASP 21 2HB ASP 21 -5.707 16.888 -1.373 159 2HB ASP 21 1HB ASP 21 -5.700 16.000 0.146 160 H GLU 22 H GLU 22 -4.043 14.142 0.972 161 HA GLU 22 HA GLU 22 -1.948 15.410 2.393 162 1HB GLU 22 2HB GLU 22 -3.755 14.316 3.545 163 2HB GLU 22 1HB GLU 22 -3.338 12.774 2.841 164 1HG GLU 22 2HG GLU 22 -2.642 12.986 5.181 165 2HG GLU 22 1HG GLU 22 -1.289 12.696 4.095 166 H LEU 23 H LEU 23 -2.039 12.392 0.507 167 HA LEU 23 HA LEU 23 0.745 11.804 1.024 168 1HB LEU 23 2HB LEU 23 -1.307 10.704 -0.874 169 2HB LEU 23 1HB LEU 23 0.376 10.282 -1.053 170 HG LEU 23 HG LEU 23 -1.123 8.654 0.177 171 1HD1 LEU 23 1HD1 LEU 23 1.175 8.241 0.264 172 2HD1 LEU 23 2HD1 LEU 23 0.650 8.240 1.955 173 3HD1 LEU 23 3HD1 LEU 23 1.473 9.651 1.288 174 1HD2 LEU 23 1HD2 LEU 23 -2.249 10.359 1.484 175 2HD2 LEU 23 2HD2 LEU 23 -0.764 10.626 2.404 176 3HD2 LEU 23 3HD2 LEU 23 -1.587 9.062 2.480 177 H SER 24 H SER 24 -1.075 13.723 -1.075 178 HA SER 24 HA SER 24 -0.611 15.133 -2.770 179 1HB SER 24 2HB SER 24 2.254 14.779 -1.863 180 2HB SER 24 1HB SER 24 1.638 16.092 -2.871 181 HG SER 24 HG SER 24 0.144 15.898 -0.655 182 H LEU 25 H LEU 25 -1.088 12.591 -3.491 183 HA LEU 25 HA LEU 25 0.840 11.355 -5.111 184 1HB LEU 25 2HB LEU 25 -2.163 11.325 -5.374 185 2HB LEU 25 1HB LEU 25 -1.094 10.324 -6.326 186 HG LEU 25 HG LEU 25 -1.742 8.836 -4.723 187 1HD1 LEU 25 1HD1 LEU 25 0.508 10.141 -3.251 188 2HD1 LEU 25 2HD1 LEU 25 0.725 9.130 -4.682 189 3HD1 LEU 25 3HD1 LEU 25 0.033 8.443 -3.210 190 1HD2 LEU 25 1HD2 LEU 25 -1.907 9.538 -2.272 191 2HD2 LEU 25 2HD2 LEU 25 -3.181 10.053 -3.380 192 3HD2 LEU 25 3HD2 LEU 25 -1.920 11.188 -2.894 193 HA PRO 26 HA PRO 26 0.830 14.203 -8.613 194 1HB PRO 26 2HB PRO 26 2.270 12.016 -9.957 195 2HB PRO 26 1HB PRO 26 2.789 13.678 -9.661 196 1HG PRO 26 2HG PRO 26 3.871 11.595 -8.348 197 2HG PRO 26 1HG PRO 26 3.654 13.181 -7.586 198 1HD PRO 26 2HD PRO 26 2.002 10.711 -7.306 199 2HD PRO 26 1HD PRO 26 2.508 11.856 -6.072 200 H ASP 27 H ASP 27 -0.298 14.170 -10.608 201 HA ASP 27 HA ASP 27 -2.564 12.525 -10.580 202 1HB ASP 27 2HB ASP 27 -3.161 13.526 -12.726 203 2HB ASP 27 1HB ASP 27 -2.627 14.745 -11.577 204 H SER 28 H SER 28 0.495 12.228 -12.242 205 HA SER 28 HA SER 28 -0.269 10.173 -14.031 206 1HB SER 28 2HB SER 28 2.460 10.718 -12.836 207 2HB SER 28 1HB SER 28 2.128 9.782 -14.294 208 HG SER 28 HG SER 28 0.937 12.058 -14.677 209 H VAL 29 H VAL 29 1.125 10.097 -10.759 210 HA VAL 29 HA VAL 29 1.406 7.269 -10.714 211 HB VAL 29 HB VAL 29 1.323 9.117 -8.340 212 1HG1 VAL 29 1HG1 VAL 29 2.662 7.311 -7.306 213 2HG1 VAL 29 2HG1 VAL 29 2.421 6.337 -8.747 214 3HG1 VAL 29 3HG1 VAL 29 1.042 6.791 -7.749 215 1HG2 VAL 29 1HG2 VAL 29 3.671 8.220 -10.014 216 2HG2 VAL 29 2HG2 VAL 29 3.771 9.135 -8.510 217 3HG2 VAL 29 3HG2 VAL 29 3.018 9.858 -9.932 218 H VAL 30 H VAL 30 -0.945 9.486 -9.141 219 HA VAL 30 HA VAL 30 -2.314 7.441 -7.814 220 HB VAL 30 HB VAL 30 -2.440 9.894 -7.325 221 1HG1 VAL 30 1HG1 VAL 30 -4.536 10.867 -8.359 222 2HG1 VAL 30 2HG1 VAL 30 -4.254 9.747 -9.678 223 3HG1 VAL 30 3HG1 VAL 30 -3.038 10.961 -9.263 224 1HG2 VAL 30 1HG2 VAL 30 -4.978 8.277 -7.413 225 2HG2 VAL 30 2HG2 VAL 30 -4.705 9.703 -6.413 226 3HG2 VAL 30 3HG2 VAL 30 -3.755 8.242 -6.142 227 H ALA 31 H ALA 31 -2.686 8.771 -11.038 228 HA ALA 31 HA ALA 31 -5.118 7.505 -11.713 229 1HB ALA 31 1HB ALA 31 -2.819 8.198 -13.515 230 2HB ALA 31 2HB ALA 31 -4.062 9.340 -12.992 231 3HB ALA 31 3HB ALA 31 -4.498 7.960 -14.002 232 H ASP 32 H ASP 32 -1.738 6.563 -12.317 233 HA ASP 32 HA ASP 32 -2.446 4.146 -13.633 234 1HB ASP 32 2HB ASP 32 -0.302 5.308 -14.019 235 2HB ASP 32 1HB ASP 32 0.190 4.930 -12.371 236 H LEU 33 H LEU 33 -1.519 4.963 -10.331 237 HA LEU 33 HA LEU 33 -1.364 2.332 -9.382 238 1HB LEU 33 2HB LEU 33 -1.393 3.141 -7.185 239 2HB LEU 33 1HB LEU 33 -0.582 4.359 -8.132 240 HG LEU 33 HG LEU 33 -2.800 5.666 -8.056 241 1HD1 LEU 33 1HD1 LEU 33 -4.240 3.853 -7.384 242 2HD1 LEU 33 2HD1 LEU 33 -4.263 5.148 -6.184 243 3HD1 LEU 33 3HD1 LEU 33 -3.344 3.672 -5.875 244 1HD2 LEU 33 1HD2 LEU 33 -0.808 6.260 -6.774 245 2HD2 LEU 33 2HD2 LEU 33 -1.297 5.142 -5.501 246 3HD2 LEU 33 3HD2 LEU 33 -2.284 6.560 -5.857 247 H TYR 34 H TYR 34 -4.168 4.394 -9.941 248 HA TYR 34 HA TYR 34 -6.114 2.748 -8.775 249 1HB TYR 34 2HB TYR 34 -6.248 4.587 -11.147 250 2HB TYR 34 1HB TYR 34 -7.661 3.736 -10.542 251 HD1 TYR 34 1HD TYR 34 -7.084 6.786 -10.746 252 HD2 TYR 34 2HD TYR 34 -6.832 3.975 -7.563 253 HE1 TYR 34 1HE TYR 34 -7.459 8.597 -9.126 254 HE2 TYR 34 2HE TYR 34 -7.206 5.779 -5.935 255 HH TYR 34 HH TYR 34 -6.953 8.195 -5.784 256 H ASN 35 H ASN 35 -4.080 1.278 -10.888 257 HA ASN 35 HA ASN 35 -5.664 0.290 -12.963 258 1HB ASN 35 2HB ASN 35 -3.240 -0.797 -11.553 259 2HB ASN 35 1HB ASN 35 -4.045 -1.732 -12.808 260 1HD2 ASN 35 1HD2 ASN 35 -1.364 -0.531 -12.723 261 2HD2 ASN 35 2HD2 ASN 35 -1.266 0.500 -14.106 262 H PHE 36 H PHE 36 -7.543 -0.672 -12.758 263 HA PHE 36 HA PHE 36 -8.333 -2.084 -10.398 264 1HB PHE 36 2HB PHE 36 -9.740 -1.893 -13.072 265 2HB PHE 36 1HB PHE 36 -10.462 -2.399 -11.550 266 HD1 PHE 36 1HD PHE 36 -10.802 -0.741 -9.737 267 HD2 PHE 36 2HD PHE 36 -9.475 0.394 -13.617 268 HE1 PHE 36 1HE PHE 36 -11.421 1.595 -9.263 269 HE2 PHE 36 2HE PHE 36 -10.089 2.729 -13.150 270 HZ PHE 36 HZ PHE 36 -11.064 3.332 -10.970 271 H TRP 37 H TRP 37 -6.699 -2.947 -13.212 272 HA TRP 37 HA TRP 37 -7.607 -5.705 -13.283 273 1HB TRP 37 2HB TRP 37 -5.373 -4.407 -14.860 274 2HB TRP 37 1HB TRP 37 -6.193 -5.921 -15.230 275 HD1 TRP 37 HD TRP 37 -8.547 -5.776 -16.441 276 HE1 TRP 37 1HE TRP 37 -9.784 -3.863 -17.641 277 HE3 TRP 37 3HE TRP 37 -5.745 -1.838 -14.774 278 HZ2 TRP 37 2HZ TRP 37 -9.589 -1.049 -17.848 279 HZ3 TRP 37 3HZ TRP 37 -6.334 0.432 -15.519 280 HH2 TRP 37 HH TRP 37 -8.219 0.817 -17.026 281 H LYS 38 H LYS 38 -6.088 -7.504 -13.048 282 HA LYS 38 HA LYS 38 -4.068 -6.958 -11.022 283 1HB LYS 38 2HB LYS 38 -3.758 -9.434 -10.964 284 2HB LYS 38 1HB LYS 38 -5.381 -8.898 -10.559 285 1HG LYS 38 2HG LYS 38 -6.188 -9.566 -12.734 286 2HG LYS 38 1HG LYS 38 -4.549 -9.981 -13.247 287 1HD LYS 38 2HD LYS 38 -4.429 -11.762 -11.654 288 2HD LYS 38 1HD LYS 38 -5.949 -11.270 -10.908 289 1HE LYS 38 2HE LYS 38 -5.778 -12.099 -13.790 290 2HE LYS 38 1HE LYS 38 -6.007 -13.271 -12.492 291 1HZ LYS 38 1HZ LYS 38 -8.027 -12.191 -11.854 292 2HZ LYS 38 2HZ LYS 38 -8.105 -12.521 -13.516 293 3HZ LYS 38 3HZ LYS 38 -7.790 -10.943 -12.976 294 H ASP 39 H ASP 39 -3.388 -5.675 -13.145 295 HA ASP 39 HA ASP 39 -1.866 -6.591 -15.156 296 1HB ASP 39 2HB ASP 39 -2.259 -4.202 -14.404 297 2HB ASP 39 1HB ASP 39 -0.866 -4.397 -13.348 298 H ASP 40 H ASP 40 -0.623 -6.461 -11.759 299 HA ASP 40 HA ASP 40 1.227 -7.269 -10.788 300 1HB ASP 40 2HB ASP 40 0.386 -9.435 -11.787 301 2HB ASP 40 1HB ASP 40 1.505 -9.170 -13.119 302 H TYR 41 H TYR 41 1.970 -5.134 -11.402 303 HA TYR 41 HA TYR 41 4.150 -5.186 -13.366 304 1HB TYR 41 2HB TYR 41 3.937 -2.633 -13.165 305 2HB TYR 41 1HB TYR 41 2.653 -3.485 -14.013 306 HD1 TYR 41 1HD TYR 41 0.421 -3.486 -13.186 307 HD2 TYR 41 2HD TYR 41 3.536 -1.769 -10.855 308 HE1 TYR 41 1HE TYR 41 -1.258 -2.484 -11.698 309 HE2 TYR 41 2HE TYR 41 1.857 -0.764 -9.356 310 HH TYR 41 HH TYR 41 -1.401 -1.649 -9.372 311 H VAL 42 H VAL 42 6.053 -3.842 -12.785 312 HA VAL 42 HA VAL 42 6.817 -4.355 -10.039 313 HB VAL 42 HB VAL 42 8.434 -2.974 -12.193 314 1HG1 VAL 42 1HG1 VAL 42 9.234 -4.268 -9.584 315 2HG1 VAL 42 2HG1 VAL 42 9.286 -2.548 -9.975 316 3HG1 VAL 42 3HG1 VAL 42 10.360 -3.672 -10.807 317 1HG2 VAL 42 1HG2 VAL 42 7.811 -5.186 -12.959 318 2HG2 VAL 42 2HG2 VAL 42 8.364 -5.895 -11.441 319 3HG2 VAL 42 3HG2 VAL 42 9.523 -5.150 -12.543 320 H MET 43 H MET 43 6.274 -2.981 -8.533 321 HA MET 43 HA MET 43 5.417 -0.325 -9.048 322 1HB MET 43 2HB MET 43 4.572 -1.806 -7.213 323 2HB MET 43 1HB MET 43 6.115 -1.601 -6.401 324 1HG MET 43 2HG MET 43 5.711 0.700 -6.025 325 2HG MET 43 1HG MET 43 4.313 0.698 -7.102 326 1HE MET 43 1HE MET 43 2.940 -2.087 -6.263 327 2HE MET 43 2HE MET 43 2.049 -0.596 -6.573 328 3HE MET 43 3HE MET 43 1.763 -1.503 -5.085 329 H THR 44 H THR 44 6.828 1.124 -9.733 330 HA THR 44 HA THR 44 9.506 1.156 -8.533 331 HB THR 44 HB THR 44 9.978 2.617 -10.632 332 HG1 THR 44 1HG THR 44 8.335 2.797 -11.958 333 1HG2 THR 44 1HG2 THR 44 9.420 -0.344 -10.865 334 2HG2 THR 44 2HG2 THR 44 10.913 0.387 -10.276 335 3HG2 THR 44 3HG2 THR 44 10.432 0.599 -11.959 336 H ASP 45 H ASP 45 6.593 2.983 -8.775 337 HA ASP 45 HA ASP 45 7.965 5.478 -8.106 338 1HB ASP 45 2HB ASP 45 6.049 5.447 -9.747 339 2HB ASP 45 1HB ASP 45 4.999 5.117 -8.379 340 H ARG 46 H ARG 46 7.752 6.594 -6.327 341 HA ARG 46 HA ARG 46 7.734 4.964 -3.992 342 1HB ARG 46 2HB ARG 46 8.124 7.921 -4.448 343 2HB ARG 46 1HB ARG 46 8.200 7.184 -2.869 344 1HG ARG 46 2HG ARG 46 10.424 7.458 -3.612 345 2HG ARG 46 1HG ARG 46 10.067 5.735 -3.709 346 1HD ARG 46 2HD ARG 46 9.568 6.067 -6.141 347 2HD ARG 46 1HD ARG 46 10.157 7.722 -5.978 348 HE ARG 46 HE ARG 46 12.053 5.843 -4.983 349 1HH1 ARG 46 1HH1 ARG 46 10.802 7.209 -7.974 350 2HH1 ARG 46 2HH1 ARG 46 12.260 6.890 -8.866 351 1HH2 ARG 46 1HH2 ARG 46 13.935 5.398 -6.158 352 2HH2 ARG 46 2HH2 ARG 46 14.039 5.862 -7.835 353 H LEU 47 H LEU 47 5.554 7.236 -5.469 354 HA LEU 47 HA LEU 47 3.942 7.662 -3.148 355 1HB LEU 47 2HB LEU 47 3.703 8.384 -6.045 356 2HB LEU 47 1HB LEU 47 2.283 8.463 -5.016 357 HG LEU 47 HG LEU 47 3.294 10.641 -5.179 358 1HD1 LEU 47 1HD1 LEU 47 2.302 9.837 -3.029 359 2HD1 LEU 47 2HD1 LEU 47 3.450 11.175 -2.876 360 3HD1 LEU 47 3HD1 LEU 47 3.951 9.533 -2.462 361 1HD2 LEU 47 1HD2 LEU 47 5.553 10.004 -5.759 362 2HD2 LEU 47 2HD2 LEU 47 5.805 9.341 -4.141 363 3HD2 LEU 47 3HD2 LEU 47 5.563 11.075 -4.355 364 H ALA 48 H ALA 48 4.242 5.109 -5.328 365 HA ALA 48 HA ALA 48 1.461 4.344 -5.306 366 1HB ALA 48 1HB ALA 48 3.025 3.910 -7.206 367 2HB ALA 48 2HB ALA 48 2.127 2.496 -6.654 368 3HB ALA 48 3HB ALA 48 3.821 2.700 -6.203 369 H GLY 49 H GLY 49 4.428 2.629 -4.334 370 1HA GLY 49 2HA GLY 49 3.641 0.958 -2.404 371 2HA GLY 49 1HA GLY 49 5.065 1.957 -2.198 372 H CYS 50 H CYS 50 3.988 4.498 -1.662 373 HA CYS 50 HA CYS 50 3.164 4.178 1.016 374 1HB CYS 50 2HB CYS 50 3.400 6.522 -0.830 375 2HB CYS 50 1HB CYS 50 2.562 6.715 0.699 376 H ALA 51 H ALA 51 1.343 4.983 -1.926 377 HA ALA 51 HA ALA 51 -1.110 5.540 -0.690 378 1HB ALA 51 1HB ALA 51 -0.670 4.470 -3.465 379 2HB ALA 51 2HB ALA 51 -0.576 6.168 -2.998 380 3HB ALA 51 3HB ALA 51 -2.109 5.303 -2.875 381 H ILE 52 H ILE 52 0.408 2.507 -1.373 382 HA ILE 52 HA ILE 52 -1.784 0.789 -1.432 383 HB ILE 52 HB ILE 52 0.915 0.300 -0.155 384 1HG1 ILE 52 2HG1 ILE 52 1.095 0.901 -2.512 385 2HG1 ILE 52 1HG1 ILE 52 1.456 -0.808 -2.294 386 1HG2 ILE 52 1HG2 ILE 52 0.436 -2.081 -0.446 387 2HG2 ILE 52 2HG2 ILE 52 -1.176 -1.686 -1.040 388 3HG2 ILE 52 3HG2 ILE 52 -0.736 -1.317 0.627 389 1HD1 ILE 52 1HD1 ILE 52 0.099 -0.427 -4.275 390 2HD1 ILE 52 2HD1 ILE 52 -1.152 0.324 -3.285 391 3HD1 ILE 52 3HD1 ILE 52 -0.776 -1.387 -3.083 392 H ASN 53 H ASN 53 -0.153 2.313 1.301 393 HA ASN 53 HA ASN 53 -2.418 1.513 2.975 394 1HB ASN 53 2HB ASN 53 -0.908 1.152 4.901 395 2HB ASN 53 1HB ASN 53 -0.617 0.013 3.594 396 1HD2 ASN 53 1HD2 ASN 53 1.255 0.349 2.260 397 2HD2 ASN 53 2HD2 ASN 53 2.632 1.175 2.894 398 H CYS 54 H CYS 54 -3.247 3.542 2.500 399 HA CYS 54 HA CYS 54 -1.809 5.832 3.684 400 1HB CYS 54 2HB CYS 54 -2.015 6.321 1.422 401 2HB CYS 54 1HB CYS 54 -3.589 5.546 1.294 402 H LEU 55 H LEU 55 -5.042 4.407 3.224 403 HA LEU 55 HA LEU 55 -6.428 6.442 4.595 404 1HB LEU 55 2HB LEU 55 -7.269 4.584 2.978 405 2HB LEU 55 1HB LEU 55 -7.431 3.620 4.430 406 HG LEU 55 HG LEU 55 -9.552 4.663 3.706 407 1HD1 LEU 55 1HD1 LEU 55 -8.534 5.672 6.353 408 2HD1 LEU 55 2HD1 LEU 55 -9.255 4.093 6.047 409 3HD1 LEU 55 3HD1 LEU 55 -10.225 5.555 5.871 410 1HD2 LEU 55 1HD2 LEU 55 -8.671 6.712 2.754 411 2HD2 LEU 55 2HD2 LEU 55 -8.158 7.255 4.351 412 3HD2 LEU 55 3HD2 LEU 55 -9.875 7.071 3.992 413 H ALA 56 H ALA 56 -5.919 3.082 5.724 414 HA ALA 56 HA ALA 56 -6.748 3.890 8.367 415 1HB ALA 56 1HB ALA 56 -6.585 1.526 8.928 416 2HB ALA 56 2HB ALA 56 -5.814 1.198 7.378 417 3HB ALA 56 3HB ALA 56 -7.487 1.752 7.430 418 H THR 57 H THR 57 -3.851 3.747 6.680 419 HA THR 57 HA THR 57 -2.139 3.309 8.937 420 HB THR 57 HB THR 57 -1.586 4.319 6.147 421 HG1 THR 57 1HG THR 57 -0.416 2.183 6.229 422 1HG2 THR 57 1HG2 THR 57 0.300 3.854 8.433 423 2HG2 THR 57 2HG2 THR 57 0.116 5.311 7.458 424 3HG2 THR 57 3HG2 THR 57 0.826 3.860 6.750 425 H LYS 58 H LYS 58 -3.462 6.127 7.216 426 HA LYS 58 HA LYS 58 -2.035 7.954 8.916 427 1HB LYS 58 2HB LYS 58 -4.171 8.332 6.838 428 2HB LYS 58 1HB LYS 58 -3.611 9.661 7.847 429 1HG LYS 58 2HG LYS 58 -1.286 8.472 6.881 430 2HG LYS 58 1HG LYS 58 -2.398 8.490 5.510 431 1HD LYS 58 2HD LYS 58 -1.072 10.535 5.579 432 2HD LYS 58 1HD LYS 58 -2.780 10.879 5.853 433 1HE LYS 58 2HE LYS 58 -2.319 10.884 8.302 434 2HE LYS 58 1HE LYS 58 -0.607 10.702 7.938 435 1HZ LYS 58 1HZ LYS 58 -0.709 12.819 6.725 436 2HZ LYS 58 2HZ LYS 58 -1.132 12.999 8.357 437 3HZ LYS 58 3HZ LYS 58 -2.339 12.989 7.166 438 H LEU 59 H LEU 59 -5.053 6.248 9.120 439 HA LEU 59 HA LEU 59 -6.251 7.824 11.113 440 1HB LEU 59 2HB LEU 59 -6.463 4.998 10.249 441 2HB LEU 59 1HB LEU 59 -6.982 5.340 11.886 442 HG LEU 59 HG LEU 59 -8.841 5.360 10.277 443 1HD1 LEU 59 1HD1 LEU 59 -8.985 6.669 12.323 444 2HD1 LEU 59 2HD1 LEU 59 -9.832 7.468 10.998 445 3HD1 LEU 59 3HD1 LEU 59 -8.245 8.046 11.505 446 1HD2 LEU 59 1HD2 LEU 59 -7.476 7.779 9.101 447 2HD2 LEU 59 2HD2 LEU 59 -9.070 7.162 8.668 448 3HD2 LEU 59 3HD2 LEU 59 -7.632 6.204 8.323 449 H ASP 60 H ASP 60 -4.203 4.893 11.557 450 HA ASP 60 HA ASP 60 -2.626 6.019 13.579 451 1HB ASP 60 2HB ASP 60 -4.593 6.028 14.988 452 2HB ASP 60 1HB ASP 60 -4.923 4.340 14.610 453 H VAL 61 H VAL 61 -0.813 4.913 13.310 454 HA VAL 61 HA VAL 61 -0.843 2.013 13.374 455 HB VAL 61 HB VAL 61 -1.300 2.734 10.984 456 1HG1 VAL 61 1HG1 VAL 61 0.141 4.664 10.873 457 2HG1 VAL 61 2HG1 VAL 61 0.624 3.483 9.655 458 3HG1 VAL 61 3HG1 VAL 61 1.563 3.654 11.137 459 1HG2 VAL 61 1HG2 VAL 61 1.203 1.116 11.414 460 2HG2 VAL 61 2HG2 VAL 61 0.148 1.066 10.002 461 3HG2 VAL 61 3HG2 VAL 61 -0.445 0.507 11.566 462 H VAL 62 H VAL 62 0.277 4.144 15.036 463 HA VAL 62 HA VAL 62 3.141 3.896 14.439 464 HB VAL 62 HB VAL 62 3.527 5.927 15.740 465 1HG1 VAL 62 1HG1 VAL 62 2.437 7.521 14.245 466 2HG1 VAL 62 2HG1 VAL 62 1.365 6.243 13.672 467 3HG1 VAL 62 3HG1 VAL 62 3.099 6.141 13.368 468 1HG2 VAL 62 1HG2 VAL 62 1.726 5.743 17.368 469 2HG2 VAL 62 2HG2 VAL 62 0.529 5.981 16.094 470 3HG2 VAL 62 3HG2 VAL 62 1.630 7.289 16.523 471 H ASP 63 H ASP 63 4.280 2.545 15.647 472 HA ASP 63 HA ASP 63 3.360 1.551 18.150 473 1HB ASP 63 2HB ASP 63 4.981 0.508 16.332 474 2HB ASP 63 1HB ASP 63 6.212 1.261 17.329 475 HA PRO 64 HA PRO 64 6.775 4.035 20.191 476 1HB PRO 64 2HB PRO 64 8.871 4.914 18.731 477 2HB PRO 64 1HB PRO 64 8.608 3.201 19.071 478 1HG PRO 64 2HG PRO 64 8.429 4.593 16.531 479 2HG PRO 64 1HG PRO 64 8.346 2.853 16.848 480 1HD PRO 64 2HD PRO 64 6.154 4.814 16.519 481 2HD PRO 64 1HD PRO 64 6.138 3.068 16.260 482 H ASP 65 H ASP 65 8.569 6.210 19.139 483 HA ASP 65 HA ASP 65 7.032 8.414 20.074 484 1HB ASP 65 2HB ASP 65 9.793 8.257 18.863 485 2HB ASP 65 1HB ASP 65 9.111 9.716 19.565 486 H GLY 66 H GLY 66 6.536 7.088 17.266 487 1HA GLY 66 2HA GLY 66 5.189 8.499 15.703 488 2HA GLY 66 1HA GLY 66 6.544 9.615 15.743 489 H ASN 67 H ASN 67 8.615 8.799 15.022 490 HA ASN 67 HA ASN 67 8.456 7.464 12.515 491 1HB ASN 67 2HB ASN 67 10.947 7.616 12.574 492 2HB ASN 67 1HB ASN 67 10.158 9.158 12.896 493 1HD2 ASN 67 1HD2 ASN 67 11.959 6.507 14.299 494 2HD2 ASN 67 2HD2 ASN 67 12.385 7.324 15.769 495 H LEU 68 H LEU 68 9.326 5.444 11.936 496 HA LEU 68 HA LEU 68 10.084 3.314 12.140 497 1HB LEU 68 2HB LEU 68 11.587 4.708 13.937 498 2HB LEU 68 1HB LEU 68 10.850 3.511 14.981 499 HG LEU 68 HG LEU 68 13.076 2.826 14.207 500 1HD1 LEU 68 1HD1 LEU 68 11.408 1.131 14.736 501 2HD1 LEU 68 2HD1 LEU 68 12.521 0.591 13.478 502 3HD1 LEU 68 3HD1 LEU 68 10.890 1.114 13.051 503 1HD2 LEU 68 1HD2 LEU 68 11.890 2.716 11.441 504 2HD2 LEU 68 2HD2 LEU 68 13.536 2.312 11.917 505 3HD2 LEU 68 3HD2 LEU 68 12.976 3.981 12.012 506 H HIS 69 H HIS 69 7.367 4.020 12.751 507 HA HIS 69 HA HIS 69 6.452 2.396 14.881 508 1HB HIS 69 2HB HIS 69 4.210 2.634 13.707 509 2HB HIS 69 1HB HIS 69 4.993 4.126 14.201 510 HD1 HIS 69 1HD HIS 69 3.668 2.356 11.257 511 HD2 HIS 69 2HD HIS 69 6.053 5.671 12.018 512 HE1 HIS 69 1HE HIS 69 3.723 3.655 9.106 513 HE2 HIS 69 2HE HIS 69 4.956 5.780 9.676 514 H HIS 70 H HIS 70 7.644 0.499 14.531 515 HA HIS 70 HA HIS 70 7.089 -1.126 12.198 516 1HB HIS 70 2HB HIS 70 9.300 -1.383 12.721 517 2HB HIS 70 1HB HIS 70 9.034 -1.159 14.444 518 HD1 HIS 70 1HD HIS 70 8.568 -3.851 11.794 519 HD2 HIS 70 2HD HIS 70 9.133 -3.434 15.888 520 HE1 HIS 70 1HE HIS 70 8.765 -6.191 12.685 521 HE2 HIS 70 2HE HIS 70 8.863 -5.912 15.188 522 H GLY 71 H GLY 71 6.767 -1.590 15.735 523 1HA GLY 71 2HA GLY 71 5.676 -4.177 15.563 524 2HA GLY 71 1HA GLY 71 5.563 -3.116 16.952 525 H ASN 72 H ASN 72 3.966 -1.246 16.512 526 HA ASN 72 HA ASN 72 1.422 -2.371 16.466 527 1HB ASN 72 2HB ASN 72 2.103 -0.201 17.542 528 2HB ASN 72 1HB ASN 72 2.029 0.543 15.951 529 1HD2 ASN 72 1HD2 ASN 72 0.430 1.951 16.818 530 2HD2 ASN 72 2HD2 ASN 72 -1.210 1.418 16.967 531 H ALA 73 H ALA 73 3.343 -1.275 13.772 532 HA ALA 73 HA ALA 73 1.150 -0.919 11.963 533 1HB ALA 73 1HB ALA 73 3.311 0.174 11.589 534 2HB ALA 73 2HB ALA 73 2.850 -0.838 10.220 535 3HB ALA 73 3HB ALA 73 4.067 -1.404 11.364 536 H LYS 74 H LYS 74 3.334 -3.554 12.793 537 HA LYS 74 HA LYS 74 2.197 -5.325 10.832 538 1HB LYS 74 2HB LYS 74 4.076 -5.808 13.124 539 2HB LYS 74 1HB LYS 74 3.543 -7.064 12.019 540 1HG LYS 74 2HG LYS 74 5.009 -4.565 11.212 541 2HG LYS 74 1HG LYS 74 5.728 -6.156 11.424 542 1HD LYS 74 2HD LYS 74 3.544 -5.494 9.467 543 2HD LYS 74 1HD LYS 74 5.255 -5.665 9.062 544 1HE LYS 74 2HE LYS 74 5.169 -7.993 9.925 545 2HE LYS 74 1HE LYS 74 3.434 -7.800 10.170 546 1HZ LYS 74 1HZ LYS 74 4.769 -7.482 7.543 547 2HZ LYS 74 2HZ LYS 74 3.101 -7.550 7.841 548 3HZ LYS 74 3HZ LYS 74 4.063 -8.924 8.070 549 H ASP 75 H ASP 75 1.827 -4.626 14.233 550 HA ASP 75 HA ASP 75 0.091 -6.724 14.930 551 1HB ASP 75 2HB ASP 75 1.204 -5.107 16.511 552 2HB ASP 75 1HB ASP 75 0.030 -3.895 16.011 553 H PHE 76 H PHE 76 -0.472 -3.538 13.528 554 HA PHE 76 HA PHE 76 -3.275 -3.644 13.401 555 1HB PHE 76 2HB PHE 76 -2.257 -1.535 13.072 556 2HB PHE 76 1HB PHE 76 -1.186 -2.154 11.821 557 HD1 PHE 76 1HD PHE 76 -4.810 -1.647 12.519 558 HD2 PHE 76 2HD PHE 76 -1.704 -1.780 9.622 559 HE1 PHE 76 1HE PHE 76 -6.397 -0.898 10.794 560 HE2 PHE 76 2HE PHE 76 -3.281 -1.038 7.888 561 HZ PHE 76 HZ PHE 76 -5.631 -0.594 8.472 562 H ALA 77 H ALA 77 -0.766 -4.699 11.142 563 HA ALA 77 HA ALA 77 -2.579 -5.407 9.074 564 1HB ALA 77 1HB ALA 77 -0.567 -6.705 8.203 565 2HB ALA 77 2HB ALA 77 0.307 -6.056 9.591 566 3HB ALA 77 3HB ALA 77 -0.380 -4.961 8.391 567 H MET 78 H MET 78 -1.078 -7.203 11.713 568 HA MET 78 HA MET 78 -1.923 -9.770 10.823 569 1HB MET 78 2HB MET 78 -1.034 -8.784 13.536 570 2HB MET 78 1HB MET 78 -1.446 -10.462 13.213 571 1HG MET 78 2HG MET 78 0.315 -10.503 11.473 572 2HG MET 78 1HG MET 78 0.772 -8.871 11.954 573 1HE MET 78 1HE MET 78 1.915 -8.256 14.258 574 2HE MET 78 2HE MET 78 2.092 -9.398 15.589 575 3HE MET 78 3HE MET 78 0.484 -8.887 15.077 576 H LYS 79 H LYS 79 -3.430 -7.309 12.834 577 HA LYS 79 HA LYS 79 -5.586 -9.170 13.432 578 1HB LYS 79 2HB LYS 79 -4.687 -7.628 15.197 579 2HB LYS 79 1HB LYS 79 -5.360 -6.277 14.295 580 1HG LYS 79 2HG LYS 79 -6.835 -6.917 16.100 581 2HG LYS 79 1HG LYS 79 -7.600 -7.235 14.542 582 1HD LYS 79 2HD LYS 79 -6.675 -9.613 14.797 583 2HD LYS 79 1HD LYS 79 -6.416 -9.190 16.489 584 1HE LYS 79 2HE LYS 79 -9.040 -9.147 15.005 585 2HE LYS 79 1HE LYS 79 -8.540 -10.327 16.214 586 1HZ LYS 79 1HZ LYS 79 -9.088 -7.442 16.645 587 2HZ LYS 79 2HZ LYS 79 -8.401 -8.456 17.819 588 3HZ LYS 79 3HZ LYS 79 -9.968 -8.761 17.249 589 H HIS 80 H HIS 80 -4.796 -6.993 10.984 590 HA HIS 80 HA HIS 80 -7.578 -7.027 10.068 591 1HB HIS 80 2HB HIS 80 -5.913 -4.502 9.973 592 2HB HIS 80 1HB HIS 80 -7.587 -4.685 9.470 593 HD1 HIS 80 1HD HIS 80 -9.348 -5.086 11.452 594 HD2 HIS 80 2HD HIS 80 -5.544 -3.849 12.601 595 HE1 HIS 80 1HE HIS 80 -9.578 -4.277 13.827 596 HE2 HIS 80 2HE HIS 80 -7.240 -3.660 14.546 597 H GLY 81 H GLY 81 -6.874 -8.603 8.537 598 1HA GLY 81 2HA GLY 81 -6.741 -8.224 6.043 599 2HA GLY 81 1HA GLY 81 -5.203 -7.448 6.390 600 H ALA 82 H ALA 82 -3.687 -8.910 7.736 601 HA ALA 82 HA ALA 82 -3.658 -11.491 6.331 602 1HB ALA 82 1HB ALA 82 -1.261 -10.251 7.625 603 2HB ALA 82 2HB ALA 82 -1.770 -9.783 6.003 604 3HB ALA 82 3HB ALA 82 -1.328 -11.457 6.341 605 H ASP 83 H ASP 83 -3.446 -13.357 7.438 606 HA ASP 83 HA ASP 83 -3.829 -13.325 10.304 607 1HB ASP 83 2HB ASP 83 -3.736 -15.795 10.113 608 2HB ASP 83 1HB ASP 83 -4.950 -15.043 9.113 609 H GLU 84 H GLU 84 -2.417 -14.679 11.679 610 HA GLU 84 HA GLU 84 -0.202 -13.085 11.784 611 1HB GLU 84 2HB GLU 84 0.320 -14.300 13.838 612 2HB GLU 84 1HB GLU 84 -1.377 -13.930 13.726 613 1HG GLU 84 2HG GLU 84 -0.093 -16.604 13.379 614 2HG GLU 84 1HG GLU 84 -1.198 -16.070 14.634 615 H THR 85 H THR 85 -0.489 -16.550 11.201 616 HA THR 85 HA THR 85 2.225 -17.083 10.902 617 HB THR 85 HB THR 85 0.395 -18.747 11.189 618 HG1 THR 85 1HG THR 85 2.581 -19.316 10.516 619 1HG2 THR 85 1HG2 THR 85 -1.122 -17.973 9.479 620 2HG2 THR 85 2HG2 THR 85 -0.672 -19.651 9.173 621 3HG2 THR 85 3HG2 THR 85 0.050 -18.353 8.219 622 H MET 86 H MET 86 -0.058 -15.603 8.628 623 HA MET 86 HA MET 86 1.633 -15.989 6.343 624 1HB MET 86 2HB MET 86 -0.596 -15.911 5.735 625 2HB MET 86 1HB MET 86 -0.989 -14.699 6.943 626 1HG MET 86 2HG MET 86 -1.223 -13.695 4.825 627 2HG MET 86 1HG MET 86 0.232 -13.047 5.577 628 1HE MET 86 1HE MET 86 -0.648 -12.942 2.410 629 2HE MET 86 2HE MET 86 0.945 -13.139 1.673 630 3HE MET 86 3HE MET 86 0.751 -12.095 3.080 631 H ALA 87 H ALA 87 0.649 -13.309 8.414 632 HA ALA 87 HA ALA 87 2.321 -11.312 7.410 633 1HB ALA 87 1HB ALA 87 1.350 -11.876 10.199 634 2HB ALA 87 2HB ALA 87 0.619 -10.797 9.006 635 3HB ALA 87 3HB ALA 87 2.174 -10.386 9.733 636 H GLN 88 H GLN 88 2.878 -13.939 9.607 637 HA GLN 88 HA GLN 88 5.509 -13.265 10.429 638 1HB GLN 88 2HB GLN 88 3.567 -15.406 10.847 639 2HB GLN 88 1HB GLN 88 5.229 -15.964 10.828 640 1HG GLN 88 2HG GLN 88 4.349 -15.403 13.090 641 2HG GLN 88 1HG GLN 88 5.812 -14.531 12.644 642 1HE2 GLN 88 1HE2 GLN 88 2.347 -14.262 13.209 643 2HE2 GLN 88 2HE2 GLN 88 2.334 -12.526 13.313 644 H GLN 89 H GLN 89 4.187 -15.077 7.737 645 HA GLN 89 HA GLN 89 6.750 -16.083 6.927 646 1HB GLN 89 2HB GLN 89 4.300 -15.655 5.175 647 2HB GLN 89 1HB GLN 89 5.731 -16.565 4.742 648 1HG GLN 89 2HG GLN 89 3.562 -17.278 6.671 649 2HG GLN 89 1HG GLN 89 4.129 -18.165 5.261 650 1HE2 GLN 89 1HE2 GLN 89 4.436 -17.640 8.598 651 2HE2 GLN 89 2HE2 GLN 89 5.740 -18.746 8.901 652 H LEU 90 H LEU 90 5.072 -13.092 6.730 653 HA LEU 90 HA LEU 90 6.633 -12.089 4.528 654 1HB LEU 90 2HB LEU 90 4.311 -11.389 4.765 655 2HB LEU 90 1HB LEU 90 4.659 -10.713 6.342 656 HG LEU 90 HG LEU 90 6.246 -9.109 5.176 657 1HD1 LEU 90 1HD1 LEU 90 4.724 -9.692 2.672 658 2HD1 LEU 90 2HD1 LEU 90 6.178 -10.619 3.053 659 3HD1 LEU 90 3HD1 LEU 90 6.271 -8.865 2.888 660 1HD2 LEU 90 1HD2 LEU 90 4.049 -8.433 5.984 661 2HD2 LEU 90 2HD2 LEU 90 3.314 -8.986 4.480 662 3HD2 LEU 90 3HD2 LEU 90 4.434 -7.624 4.464 663 H VAL 91 H VAL 91 6.488 -11.671 8.039 664 HA VAL 91 HA VAL 91 8.092 -9.399 8.274 665 HB VAL 91 HB VAL 91 8.506 -10.038 10.590 666 1HG1 VAL 91 1HG1 VAL 91 6.208 -10.099 11.373 667 2HG1 VAL 91 2HG1 VAL 91 5.674 -10.582 9.762 668 3HG1 VAL 91 3HG1 VAL 91 6.389 -8.990 10.011 669 1HG2 VAL 91 1HG2 VAL 91 7.485 -12.689 9.722 670 2HG2 VAL 91 2HG2 VAL 91 7.310 -12.170 11.393 671 3HG2 VAL 91 3HG2 VAL 91 8.913 -12.301 10.673 672 H ASP 92 H ASP 92 8.999 -12.740 7.988 673 HA ASP 92 HA ASP 92 11.688 -12.478 8.786 674 1HB ASP 92 2HB ASP 92 10.786 -14.635 8.904 675 2HB ASP 92 1HB ASP 92 10.116 -14.558 7.282 676 H ILE 93 H ILE 93 10.125 -12.513 5.587 677 HA ILE 93 HA ILE 93 12.423 -11.981 4.084 678 HB ILE 93 HB ILE 93 9.532 -11.799 3.631 679 1HG1 ILE 93 2HG1 ILE 93 10.126 -12.910 1.541 680 2HG1 ILE 93 1HG1 ILE 93 11.831 -12.632 1.877 681 1HG2 ILE 93 1HG2 ILE 93 11.344 -9.798 2.487 682 2HG2 ILE 93 2HG2 ILE 93 9.594 -9.744 2.729 683 3HG2 ILE 93 3HG2 ILE 93 10.267 -10.601 1.341 684 1HD1 ILE 93 1HD1 ILE 93 11.492 -14.003 3.982 685 2HD1 ILE 93 2HD1 ILE 93 11.393 -14.877 2.449 686 3HD1 ILE 93 3HD1 ILE 93 9.917 -14.446 3.315 687 H ILE 94 H ILE 94 10.102 -9.799 5.658 688 HA ILE 94 HA ILE 94 10.999 -7.377 4.682 689 HB ILE 94 HB ILE 94 10.151 -7.821 7.546 690 1HG1 ILE 94 2HG1 ILE 94 8.484 -7.261 5.082 691 2HG1 ILE 94 1HG1 ILE 94 8.499 -8.757 6.012 692 1HG2 ILE 94 1HG2 ILE 94 11.192 -5.629 7.020 693 2HG2 ILE 94 2HG2 ILE 94 9.502 -5.497 7.501 694 3HG2 ILE 94 3HG2 ILE 94 9.947 -5.369 5.799 695 1HD1 ILE 94 1HD1 ILE 94 7.687 -6.102 7.142 696 2HD1 ILE 94 2HD1 ILE 94 7.495 -7.690 7.885 697 3HD1 ILE 94 3HD1 ILE 94 6.556 -7.266 6.453 698 H HIS 95 H HIS 95 12.249 -9.231 7.432 699 HA HIS 95 HA HIS 95 14.101 -7.190 8.200 700 1HB HIS 95 2HB HIS 95 14.227 -10.130 8.932 701 2HB HIS 95 1HB HIS 95 15.035 -8.807 9.750 702 HD1 HIS 95 1HD HIS 95 13.030 -10.859 11.052 703 HD2 HIS 95 2HD HIS 95 12.116 -6.983 9.864 704 HE1 HIS 95 1HE HIS 95 11.056 -10.173 12.446 705 HE2 HIS 95 2HE HIS 95 10.741 -7.734 11.931 706 H GLY 96 H GLY 96 14.263 -10.021 6.112 707 1HA GLY 96 2HA GLY 96 17.159 -9.928 6.024 708 2HA GLY 96 1HA GLY 96 16.120 -11.052 5.157 709 H CYS 97 H CYS 97 14.467 -9.241 3.855 710 HA CYS 97 HA CYS 97 16.146 -8.578 1.681 711 1HB CYS 97 2HB CYS 97 13.231 -7.919 2.070 712 2HB CYS 97 1HB CYS 97 14.126 -7.893 0.557 713 H GLU 98 H GLU 98 14.311 -6.575 4.047 714 HA GLU 98 HA GLU 98 15.185 -4.079 3.169 715 1HB GLU 98 2HB GLU 98 14.518 -5.153 5.885 716 2HB GLU 98 1HB GLU 98 15.233 -3.556 5.753 717 1HG GLU 98 2HG GLU 98 12.784 -4.310 4.204 718 2HG GLU 98 1HG GLU 98 12.690 -3.748 5.871 719 H LYS 99 H LYS 99 16.880 -6.464 5.185 720 HA LYS 99 HA LYS 99 19.154 -4.838 5.644 721 1HB LYS 99 2HB LYS 99 18.676 -6.736 7.061 722 2HB LYS 99 1HB LYS 99 18.805 -7.837 5.698 723 1HG LYS 99 2HG LYS 99 21.179 -7.241 5.476 724 2HG LYS 99 1HG LYS 99 21.032 -6.215 6.904 725 1HD LYS 99 2HD LYS 99 20.469 -8.129 8.268 726 2HD LYS 99 1HD LYS 99 20.468 -9.178 6.848 727 1HE LYS 99 2HE LYS 99 22.845 -7.679 7.944 728 2HE LYS 99 1HE LYS 99 22.539 -9.406 8.127 729 1HZ LYS 99 1HZ LYS 99 24.098 -8.998 6.342 730 2HZ LYS 99 2HZ LYS 99 22.996 -7.976 5.561 731 3HZ LYS 99 3HZ LYS 99 22.656 -9.631 5.707 732 H SER 100 H SER 100 18.374 -7.193 3.111 733 HA SER 100 HA SER 100 21.087 -6.958 2.047 734 1HB SER 100 2HB SER 100 18.892 -8.833 1.158 735 2HB SER 100 1HB SER 100 20.615 -8.954 0.801 736 HG SER 100 HG SER 100 19.226 -9.523 3.160 737 H ALA 101 H ALA 101 18.439 -5.178 1.627 738 HA ALA 101 HA ALA 101 18.037 -5.124 -1.165 739 1HB ALA 101 1HB ALA 101 17.554 -3.110 1.014 740 2HB ALA 101 2HB ALA 101 16.374 -4.053 0.095 741 3HB ALA 101 3HB ALA 101 17.244 -2.729 -0.678 742 HA PRO 102 HA PRO 102 21.642 -3.204 -2.867 743 1HB PRO 102 2HB PRO 102 19.723 -1.474 -4.356 744 2HB PRO 102 1HB PRO 102 21.038 -2.482 -4.971 745 1HG PRO 102 2HG PRO 102 18.521 -3.266 -5.246 746 2HG PRO 102 1HG PRO 102 19.783 -4.435 -4.816 747 1HD PRO 102 2HD PRO 102 17.720 -3.146 -3.075 748 2HD PRO 102 1HD PRO 102 18.315 -4.819 -3.067 749 HA PRO 103 HA PRO 103 22.425 0.615 -0.770 750 1HB PRO 103 2HB PRO 103 23.972 1.603 -3.070 751 2HB PRO 103 1HB PRO 103 24.519 1.183 -1.444 752 1HG PRO 103 2HG PRO 103 25.127 -0.345 -3.556 753 2HG PRO 103 1HG PRO 103 24.784 -1.052 -1.965 754 1HD PRO 103 2HD PRO 103 22.986 -0.818 -4.357 755 2HD PRO 103 1HD PRO 103 23.251 -2.208 -3.282 756 H ASN 104 H ASN 104 19.994 0.631 -2.342 757 HA ASN 104 HA ASN 104 19.889 3.383 -3.358 758 1HB ASN 104 2HB ASN 104 17.980 1.048 -3.563 759 2HB ASN 104 1HB ASN 104 17.503 2.685 -3.989 760 1HD2 ASN 104 1HD2 ASN 104 17.093 2.114 -6.095 761 2HD2 ASN 104 2HD2 ASN 104 18.355 1.768 -7.233 762 H ASP 105 H ASP 105 19.669 4.745 -1.643 763 HA ASP 105 HA ASP 105 17.949 4.064 0.577 764 1HB ASP 105 2HB ASP 105 19.902 5.484 0.989 765 2HB ASP 105 1HB ASP 105 19.283 6.691 -0.133 766 H ASP 106 H ASP 106 15.972 3.686 -0.363 767 HA ASP 106 HA ASP 106 14.764 5.952 -1.793 768 1HB ASP 106 2HB ASP 106 15.112 3.449 -2.755 769 2HB ASP 106 1HB ASP 106 13.517 3.282 -2.025 770 H LYS 107 H LYS 107 13.634 7.065 -0.419 771 HA LYS 107 HA LYS 107 12.834 6.633 2.075 772 1HB LYS 107 2HB LYS 107 12.562 8.762 0.988 773 2HB LYS 107 1HB LYS 107 11.280 8.126 -0.033 774 1HG LYS 107 2HG LYS 107 9.890 7.793 1.981 775 2HG LYS 107 1HG LYS 107 11.164 8.542 2.948 776 1HD LYS 107 2HD LYS 107 10.912 10.620 1.816 777 2HD LYS 107 1HD LYS 107 9.862 9.900 0.595 778 1HE LYS 107 2HE LYS 107 8.192 9.442 2.357 779 2HE LYS 107 1HE LYS 107 9.229 10.265 3.522 780 1HZ LYS 107 1HZ LYS 107 8.144 11.544 1.069 781 2HZ LYS 107 2HZ LYS 107 8.977 12.305 2.336 782 3HZ LYS 107 3HZ LYS 107 7.429 11.668 2.601 783 H CYS 108 H CYS 108 10.140 6.443 -0.286 784 HA CYS 108 HA CYS 108 8.850 4.566 1.524 785 1HB CYS 108 2HB CYS 108 7.698 6.613 0.656 786 2HB CYS 108 1HB CYS 108 7.738 5.905 -0.949 787 H MET 109 H MET 109 10.723 4.327 -1.314 788 HA MET 109 HA MET 109 9.040 2.364 -2.570 789 1HB MET 109 2HB MET 109 11.022 4.173 -3.447 790 2HB MET 109 1HB MET 109 11.553 2.554 -3.884 791 1HG MET 109 2HG MET 109 8.890 3.764 -4.564 792 2HG MET 109 1HG MET 109 10.266 3.617 -5.655 793 1HE MET 109 1HE MET 109 11.442 0.781 -4.942 794 2HE MET 109 2HE MET 109 11.184 1.337 -6.596 795 3HE MET 109 3HE MET 109 10.582 -0.244 -6.091 796 H LYS 110 H LYS 110 11.773 2.372 -0.529 797 HA LYS 110 HA LYS 110 13.118 0.055 -1.386 798 1HB LYS 110 2HB LYS 110 14.413 0.195 0.512 799 2HB LYS 110 1HB LYS 110 13.868 1.849 0.347 800 1HG LYS 110 2HG LYS 110 12.659 -0.189 2.203 801 2HG LYS 110 1HG LYS 110 13.878 0.992 2.668 802 1HD LYS 110 2HD LYS 110 12.303 2.796 2.029 803 2HD LYS 110 1HD LYS 110 11.084 1.565 1.686 804 1HE LYS 110 2HE LYS 110 12.395 2.127 4.344 805 2HE LYS 110 1HE LYS 110 10.723 2.460 3.901 806 1HZ LYS 110 1HZ LYS 110 11.122 0.397 5.253 807 2HZ LYS 110 2HZ LYS 110 11.862 -0.284 3.891 808 3HZ LYS 110 3HZ LYS 110 10.228 0.169 3.834 809 H THR 111 H THR 111 10.537 0.529 0.871 810 HA THR 111 HA THR 111 10.081 -1.982 1.844 811 HB THR 111 HB THR 111 8.862 0.569 1.691 812 HG1 THR 111 1HG THR 111 8.872 -1.637 3.406 813 1HG2 THR 111 1HG2 THR 111 7.117 -0.181 0.272 814 2HG2 THR 111 2HG2 THR 111 6.447 -0.156 1.914 815 3HG2 THR 111 3HG2 THR 111 6.931 -1.688 1.185 816 H ILE 112 H ILE 112 9.790 -0.954 -1.447 817 HA ILE 112 HA ILE 112 7.778 -2.977 -2.034 818 HB ILE 112 HB ILE 112 8.952 -0.768 -3.621 819 1HG1 ILE 112 2HG1 ILE 112 6.566 -0.311 -4.126 820 2HG1 ILE 112 1HG1 ILE 112 6.129 -1.676 -3.106 821 1HG2 ILE 112 1HG2 ILE 112 7.585 -3.176 -4.745 822 2HG2 ILE 112 2HG2 ILE 112 9.195 -2.575 -5.139 823 3HG2 ILE 112 3HG2 ILE 112 7.766 -1.662 -5.629 824 1HD1 ILE 112 1HD1 ILE 112 7.735 0.608 -2.052 825 2HD1 ILE 112 2HD1 ILE 112 6.784 -0.579 -1.163 826 3HD1 ILE 112 3HD1 ILE 112 5.976 0.665 -2.119 827 H ASP 113 H ASP 113 11.173 -2.145 -2.553 828 HA ASP 113 HA ASP 113 11.871 -4.306 -4.193 829 1HB ASP 113 2HB ASP 113 13.402 -2.398 -3.634 830 2HB ASP 113 1HB ASP 113 13.631 -3.096 -2.040 831 H VAL 114 H VAL 114 11.418 -4.120 -0.688 832 HA VAL 114 HA VAL 114 12.461 -6.761 -0.275 833 HB VAL 114 HB VAL 114 12.026 -6.431 2.020 834 1HG1 VAL 114 1HG1 VAL 114 13.841 -5.104 0.927 835 2HG1 VAL 114 2HG1 VAL 114 13.278 -4.468 2.471 836 3HG1 VAL 114 3HG1 VAL 114 12.756 -3.716 0.961 837 1HG2 VAL 114 1HG2 VAL 114 9.771 -5.592 1.854 838 2HG2 VAL 114 2HG2 VAL 114 10.362 -4.038 1.288 839 3HG2 VAL 114 3HG2 VAL 114 10.736 -4.591 2.924 840 H ALA 115 H ALA 115 9.337 -5.210 -0.605 841 HA ALA 115 HA ALA 115 7.675 -7.399 -0.004 842 1HB ALA 115 1HB ALA 115 6.905 -5.079 -0.291 843 2HB ALA 115 2HB ALA 115 5.943 -6.238 -1.196 844 3HB ALA 115 3HB ALA 115 7.133 -5.235 -2.027 845 H MET 116 H MET 116 8.939 -6.314 -3.174 846 HA MET 116 HA MET 116 7.897 -8.602 -4.497 847 1HB MET 116 2HB MET 116 9.367 -8.020 -6.421 848 2HB MET 116 1HB MET 116 8.278 -6.749 -5.910 849 1HG MET 116 2HG MET 116 10.107 -5.557 -4.871 850 2HG MET 116 1HG MET 116 11.219 -6.872 -5.269 851 1HE MET 116 1HE MET 116 11.478 -3.680 -6.013 852 2HE MET 116 2HE MET 116 12.185 -3.815 -7.623 853 3HE MET 116 3HE MET 116 12.751 -4.862 -6.323 854 H CYS 117 H CYS 117 10.499 -8.192 -2.461 855 HA CYS 117 HA CYS 117 12.106 -10.382 -3.321 856 1HB CYS 117 2HB CYS 117 12.987 -8.538 -1.982 857 2HB CYS 117 1HB CYS 117 11.901 -8.963 -0.665 858 H PHE 118 H PHE 118 9.392 -9.930 -1.223 859 HA PHE 118 HA PHE 118 9.388 -12.546 -0.156 860 1HB PHE 118 2HB PHE 118 8.305 -10.791 1.098 861 2HB PHE 118 1HB PHE 118 7.203 -10.454 -0.230 862 HD1 PHE 118 1HD PHE 118 5.085 -11.376 -0.176 863 HD2 PHE 118 2HD PHE 118 8.197 -13.242 2.053 864 HE1 PHE 118 1HE PHE 118 3.460 -12.960 0.763 865 HE2 PHE 118 2HE PHE 118 6.575 -14.827 2.990 866 HZ PHE 118 HZ PHE 118 4.204 -14.689 2.349 867 H LYS 119 H LYS 119 7.479 -11.060 -2.865 868 HA LYS 119 HA LYS 119 6.099 -13.544 -3.215 869 1HB LYS 119 2HB LYS 119 4.810 -12.590 -4.779 870 2HB LYS 119 1HB LYS 119 5.460 -11.104 -4.133 871 1HG LYS 119 2HG LYS 119 6.713 -12.506 -6.472 872 2HG LYS 119 1HG LYS 119 5.362 -11.393 -6.665 873 1HD LYS 119 2HD LYS 119 6.666 -9.603 -5.682 874 2HD LYS 119 1HD LYS 119 8.005 -10.714 -5.384 875 1HE LYS 119 2HE LYS 119 8.457 -9.413 -7.369 876 2HE LYS 119 1HE LYS 119 8.192 -11.097 -7.808 877 1HZ LYS 119 1HZ LYS 119 6.166 -8.932 -8.029 878 2HZ LYS 119 2HZ LYS 119 5.955 -10.542 -8.507 879 3HZ LYS 119 3HZ LYS 119 7.069 -9.559 -9.316 880 H LYS 120 H LYS 120 9.125 -12.268 -4.401 881 HA LYS 120 HA LYS 120 9.799 -14.213 -6.253 882 1HB LYS 120 2HB LYS 120 11.297 -12.496 -5.932 883 2HB LYS 120 1HB LYS 120 11.238 -12.634 -4.184 884 1HG LYS 120 2HG LYS 120 12.547 -14.663 -4.279 885 2HG LYS 120 1HG LYS 120 12.574 -14.570 -6.048 886 1HD LYS 120 2HD LYS 120 14.616 -13.631 -5.045 887 2HD LYS 120 1HD LYS 120 13.659 -12.449 -5.950 888 1HE LYS 120 2HE LYS 120 12.888 -11.385 -4.044 889 2HE LYS 120 1HE LYS 120 13.286 -12.737 -2.984 890 1HZ LYS 120 1HZ LYS 120 14.876 -10.982 -2.659 891 2HZ LYS 120 2HZ LYS 120 15.208 -10.884 -4.316 892 3HZ LYS 120 3HZ LYS 120 15.669 -12.259 -3.439 893 H GLU 121 H GLU 121 10.321 -14.268 -2.730 894 HA GLU 121 HA GLU 121 11.143 -16.916 -2.520 895 1HB GLU 121 2HB GLU 121 9.713 -15.172 -0.525 896 2HB GLU 121 1HB GLU 121 10.342 -16.766 -0.133 897 1HG GLU 121 2HG GLU 121 11.915 -14.351 -0.995 898 2HG GLU 121 1HG GLU 121 11.911 -15.129 0.579 899 H ILE 122 H ILE 122 7.759 -15.690 -2.122 900 HA ILE 122 HA ILE 122 6.619 -18.169 -1.610 901 HB ILE 122 HB ILE 122 5.509 -15.839 -1.505 902 1HG1 ILE 122 2HG1 ILE 122 3.939 -18.164 -2.610 903 2HG1 ILE 122 1HG1 ILE 122 4.478 -18.031 -0.953 904 1HG2 ILE 122 1HG2 ILE 122 4.106 -16.422 -3.965 905 2HG2 ILE 122 2HG2 ILE 122 5.779 -15.924 -4.233 906 3HG2 ILE 122 3HG2 ILE 122 4.674 -14.873 -3.340 907 1HD1 ILE 122 1HD1 ILE 122 2.584 -16.153 -2.327 908 2HD1 ILE 122 2HD1 ILE 122 3.114 -16.039 -0.649 909 3HD1 ILE 122 3HD1 ILE 122 2.142 -17.413 -1.175 910 H HIS 123 H HIS 123 7.629 -16.726 -4.642 911 HA HIS 123 HA HIS 123 6.318 -18.636 -6.284 912 1HB HIS 123 2HB HIS 123 8.436 -16.588 -6.731 913 2HB HIS 123 1HB HIS 123 8.219 -17.845 -7.946 914 HD1 HIS 123 1HD HIS 123 7.129 -16.526 -9.781 915 HD2 HIS 123 2HD HIS 123 5.258 -16.014 -6.096 916 HE1 HIS 123 1HE HIS 123 5.045 -15.198 -10.258 917 HE2 HIS 123 2HE HIS 123 3.818 -15.113 -8.053 918 H LYS 124 H LYS 124 9.494 -18.578 -4.728 919 HA LYS 124 HA LYS 124 10.502 -20.897 -6.007 920 1HB LYS 124 2HB LYS 124 11.885 -19.248 -4.749 921 2HB LYS 124 1HB LYS 124 11.153 -19.811 -3.258 922 1HG LYS 124 2HG LYS 124 13.315 -20.796 -3.468 923 2HG LYS 124 1HG LYS 124 12.106 -22.060 -3.699 924 1HD LYS 124 2HD LYS 124 13.186 -20.628 -6.081 925 2HD LYS 124 1HD LYS 124 14.175 -21.865 -5.303 926 1HE LYS 124 2HE LYS 124 12.423 -23.508 -5.622 927 2HE LYS 124 1HE LYS 124 11.355 -22.276 -6.292 928 1HZ LYS 124 1HZ LYS 124 12.359 -23.586 -8.034 929 2HZ LYS 124 2HZ LYS 124 13.917 -23.193 -7.485 930 3HZ LYS 124 3HZ LYS 124 12.912 -21.985 -8.122 931 H LEU 125 H LEU 125 8.538 -20.327 -3.169 932 HA LEU 125 HA LEU 125 8.419 -22.971 -2.222 933 1HB LEU 125 2HB LEU 125 6.280 -20.853 -2.032 934 2HB LEU 125 1HB LEU 125 6.420 -22.276 -1.019 935 HG LEU 125 HG LEU 125 8.356 -19.961 -1.092 936 1HD1 LEU 125 1HD1 LEU 125 6.252 -19.404 -0.006 937 2HD1 LEU 125 2HD1 LEU 125 7.553 -19.530 1.176 938 3HD1 LEU 125 3HD1 LEU 125 6.383 -20.839 1.011 939 1HD2 LEU 125 1HD2 LEU 125 8.344 -22.443 0.622 940 2HD2 LEU 125 2HD2 LEU 125 9.435 -21.071 0.807 941 3HD2 LEU 125 3HD2 LEU 125 9.505 -22.064 -0.649 942 H ASN 126 H ASN 126 6.507 -21.287 -4.679 943 HA ASN 126 HA ASN 126 5.104 -21.981 -6.291 944 1HB ASN 126 2HB ASN 126 6.373 -24.646 -5.686 945 2HB ASN 126 1HB ASN 126 5.130 -24.456 -6.917 946 1HD2 ASN 126 1HD2 ASN 126 8.431 -23.939 -6.078 947 2HD2 ASN 126 2HD2 ASN 126 8.949 -23.338 -7.617 948 H TRP 127 H TRP 127 4.846 -24.868 -4.239 949 HA TRP 127 HA TRP 127 1.950 -24.493 -4.231 950 1HB TRP 127 2HB TRP 127 1.831 -26.826 -3.501 951 2HB TRP 127 1HB TRP 127 2.827 -26.682 -4.942 952 HD1 TRP 127 HD TRP 127 5.651 -26.223 -3.993 953 HE1 TRP 127 1HE TRP 127 6.905 -27.852 -2.446 954 HE3 TRP 127 3HE TRP 127 1.636 -28.648 -1.969 955 HZ2 TRP 127 2HZ TRP 127 6.265 -29.909 -0.619 956 HZ3 TRP 127 3HZ TRP 127 2.043 -30.441 -0.337 957 HH2 TRP 127 HH TRP 127 4.310 -31.057 0.323 958 H VAL 128 H VAL 128 1.175 -25.781 -1.965 959 HA VAL 128 HA VAL 128 2.029 -23.858 0.069 960 HB VAL 128 HB VAL 128 -0.339 -23.800 -0.369 961 1HG1 VAL 128 1HG1 VAL 128 -0.657 -26.016 -1.301 962 2HG1 VAL 128 2HG1 VAL 128 -1.801 -25.733 0.010 963 3HG1 VAL 128 3HG1 VAL 128 -0.382 -26.743 0.281 964 1HG2 VAL 128 1HG2 VAL 128 0.314 -23.436 1.937 965 2HG2 VAL 128 2HG2 VAL 128 0.222 -25.168 2.258 966 3HG2 VAL 128 3HG2 VAL 128 -1.242 -24.264 1.869 967 HA PRO 129 HA PRO 129 4.332 -27.072 2.151 968 1HB PRO 129 2HB PRO 129 4.480 -25.747 4.568 969 2HB PRO 129 1HB PRO 129 5.579 -25.486 3.210 970 1HG PRO 129 2HG PRO 129 3.184 -23.904 4.044 971 2HG PRO 129 1HG PRO 129 4.756 -23.333 3.450 972 1HD PRO 129 2HD PRO 129 2.596 -23.392 1.862 973 2HD PRO 129 1HD PRO 129 4.216 -23.767 1.236 974 H ASN 130 H ASN 130 4.096 -28.458 4.040 975 HA ASN 130 HA ASN 130 1.294 -29.078 4.460 976 1HB ASN 130 2HB ASN 130 3.817 -30.527 5.293 977 2HB ASN 130 1HB ASN 130 2.188 -31.118 5.600 978 1HD2 ASN 130 1HD2 ASN 130 0.947 -31.886 3.889 979 2HD2 ASN 130 2HD2 ASN 130 1.646 -32.272 2.354 980 H MET 131 H MET 131 0.170 -28.783 6.277 981 HA MET 131 HA MET 131 1.553 -27.576 8.562 982 1HB MET 131 2HB MET 131 -0.572 -26.718 9.258 983 2HB MET 131 1HB MET 131 -0.410 -26.386 7.541 984 1HG MET 131 2HG MET 131 -1.993 -28.657 8.728 985 2HG MET 131 1HG MET 131 -2.665 -27.128 8.170 986 1HE MET 131 1HE MET 131 -4.384 -28.532 6.660 987 2HE MET 131 2HE MET 131 -3.654 -30.043 7.200 988 3HE MET 131 3HE MET 131 -3.880 -29.737 5.478 989 H ASP 132 H ASP 132 0.859 -28.259 10.741 990 HA ASP 132 HA ASP 132 0.525 -31.166 10.811 991 1HB ASP 132 2HB ASP 132 1.431 -31.130 12.989 992 2HB ASP 132 1HB ASP 132 2.369 -29.936 12.100 993 H LEU 133 H LEU 133 -0.944 -32.080 12.504 994 HA LEU 133 HA LEU 133 -3.386 -30.431 12.621 995 1HB LEU 133 2HB LEU 133 -3.540 -32.223 10.951 996 2HB LEU 133 1HB LEU 133 -3.180 -33.410 12.190 997 HG LEU 133 HG LEU 133 -5.275 -32.758 13.366 998 1HD1 LEU 133 1HD1 LEU 133 -6.923 -31.408 12.208 999 2HD1 LEU 133 2HD1 LEU 133 -5.803 -31.150 10.872 1000 3HD1 LEU 133 3HD1 LEU 133 -5.443 -30.482 12.464 1001 1HD2 LEU 133 1HD2 LEU 133 -5.242 -34.694 11.896 1002 2HD2 LEU 133 2HD2 LEU 133 -5.592 -33.665 10.507 1003 3HD2 LEU 133 3HD2 LEU 133 -6.793 -33.860 11.783 1004 H VAL 134 H VAL 134 -4.031 -29.997 14.596 1005 HA VAL 134 HA VAL 134 -3.203 -31.517 16.889 1006 HB VAL 134 HB VAL 134 -4.937 -29.985 18.067 1007 1HG1 VAL 134 1HG1 VAL 134 -3.393 -28.088 18.025 1008 2HG1 VAL 134 2HG1 VAL 134 -2.586 -28.777 16.616 1009 3HG1 VAL 134 3HG1 VAL 134 -2.532 -29.621 18.163 1010 1HG2 VAL 134 1HG2 VAL 134 -6.227 -29.401 16.076 1011 2HG2 VAL 134 2HG2 VAL 134 -4.805 -28.628 15.374 1012 3HG2 VAL 134 3HG2 VAL 134 -5.541 -27.962 16.832 1013 H ILE 135 H ILE 135 -4.130 -33.379 17.532 1014 HA ILE 135 HA ILE 135 -6.750 -34.074 16.467 1015 HB ILE 135 HB ILE 135 -4.719 -35.664 18.031 1016 1HG1 ILE 135 2HG1 ILE 135 -4.151 -35.566 15.709 1017 2HG1 ILE 135 1HG1 ILE 135 -4.893 -37.135 15.973 1018 1HG2 ILE 135 1HG2 ILE 135 -6.911 -36.306 18.858 1019 2HG2 ILE 135 2HG2 ILE 135 -6.222 -37.594 17.872 1020 3HG2 ILE 135 3HG2 ILE 135 -7.479 -36.554 17.207 1021 1HD1 ILE 135 1HD1 ILE 135 -6.253 -34.727 14.794 1022 2HD1 ILE 135 2HD1 ILE 135 -6.989 -36.310 15.053 1023 3HD1 ILE 135 3HD1 ILE 135 -5.660 -36.132 13.907 1024 H GLY 136 H GLY 136 -8.518 -33.509 17.507 1025 1HA GLY 136 2HA GLY 136 -8.392 -33.020 20.395 1026 2HA GLY 136 1HA GLY 136 -9.669 -32.483 19.312 1027 H GLU 137 H GLU 137 -8.825 -34.716 21.643 1028 HA GLU 137 HA GLU 137 -10.594 -36.823 20.743 1029 1HB GLU 137 2HB GLU 137 -8.549 -37.324 22.056 1030 2HB GLU 137 1HB GLU 137 -9.225 -36.436 23.414 1031 1HG GLU 137 2HG GLU 137 -11.026 -38.034 23.608 1032 2HG GLU 137 1HG GLU 137 -10.446 -38.893 22.182 1033 H VAL 138 H VAL 138 -12.665 -36.165 20.655 1034 HA VAL 138 HA VAL 138 -13.742 -34.571 22.869 1035 HB VAL 138 HB VAL 138 -14.996 -35.161 20.182 1036 1HG1 VAL 138 1HG1 VAL 138 -15.719 -33.148 22.306 1037 2HG1 VAL 138 2HG1 VAL 138 -16.627 -34.603 21.894 1038 3HG1 VAL 138 3HG1 VAL 138 -16.482 -33.291 20.723 1039 1HG2 VAL 138 1HG2 VAL 138 -14.360 -32.876 19.569 1040 2HG2 VAL 138 2HG2 VAL 138 -12.946 -33.879 19.899 1041 3HG2 VAL 138 3HG2 VAL 138 -13.498 -32.708 21.098 1042 H LEU 139 H LEU 139 -14.488 -35.834 24.455 1043 HA LEU 139 HA LEU 139 -16.726 -37.565 23.796 1044 1HB LEU 139 2HB LEU 139 -14.881 -39.146 23.833 1045 2HB LEU 139 1HB LEU 139 -14.352 -38.538 25.391 1046 HG LEU 139 HG LEU 139 -16.431 -39.378 26.420 1047 1HD1 LEU 139 1HD1 LEU 139 -17.908 -40.856 25.168 1048 2HD1 LEU 139 2HD1 LEU 139 -16.991 -40.538 23.695 1049 3HD1 LEU 139 3HD1 LEU 139 -17.891 -39.235 24.471 1050 1HD2 LEU 139 1HD2 LEU 139 -14.925 -41.462 24.847 1051 2HD2 LEU 139 2HD2 LEU 139 -15.897 -41.750 26.290 1052 3HD2 LEU 139 3HD2 LEU 139 -14.430 -40.777 26.396 1053 H ALA 140 H ALA 140 -18.061 -36.114 24.772 1054 HA ALA 140 HA ALA 140 -17.617 -35.565 27.629 1055 1HB ALA 140 1HB ALA 140 -19.241 -33.759 27.374 1056 2HB ALA 140 2HB ALA 140 -19.506 -34.221 25.692 1057 3HB ALA 140 3HB ALA 140 -17.936 -33.595 26.197 1058 H GLU 141 H GLU 141 -18.753 -37.989 26.146 1059 HA GLU 141 HA GLU 141 -21.380 -38.119 27.442 1060 1HB GLU 141 2HB GLU 141 -21.168 -38.602 24.966 1061 2HB GLU 141 1HB GLU 141 -20.238 -40.032 25.401 1062 1HG GLU 141 2HG GLU 141 -22.535 -40.625 24.963 1063 2HG GLU 141 1HG GLU 141 -22.157 -40.880 26.668 1064 H VAL 142 H VAL 142 -21.774 -39.563 29.023 1065 HA VAL 142 HA VAL 142 -21.410 -41.007 30.722 1066 HB VAL 142 HB VAL 142 -19.320 -42.274 28.940 1067 1HG1 VAL 142 1HG1 VAL 142 -20.860 -43.373 31.289 1068 2HG1 VAL 142 2HG1 VAL 142 -19.141 -42.977 31.263 1069 3HG1 VAL 142 3HG1 VAL 142 -19.759 -44.294 30.264 1070 1HG2 VAL 142 1HG2 VAL 142 -21.463 -42.168 27.794 1071 2HG2 VAL 142 2HG2 VAL 142 -22.264 -42.882 29.196 1072 3HG2 VAL 142 3HG2 VAL 142 -21.099 -43.829 28.268 Start of MODEL 7 1 1H SER 1 1HT SER 1 -6.215 -16.156 -1.504 2 2H SER 1 2HT SER 1 -7.283 -16.443 -2.785 3 3H SER 1 3HT SER 1 -6.665 -17.744 -1.886 4 HA SER 1 HA SER 1 -8.919 -17.309 -1.239 5 1HB SER 1 2HB SER 1 -8.480 -16.859 1.203 6 2HB SER 1 1HB SER 1 -7.463 -18.119 0.502 7 HG SER 1 HG SER 1 -6.130 -16.777 1.665 8 HA PRO 2 HA PRO 2 -10.361 -13.157 -1.826 9 1HB PRO 2 2HB PRO 2 -12.574 -13.960 -0.027 10 2HB PRO 2 1HB PRO 2 -12.635 -13.354 -1.686 11 1HG PRO 2 2HG PRO 2 -13.110 -15.925 -1.136 12 2HG PRO 2 1HG PRO 2 -12.240 -15.441 -2.602 13 1HD PRO 2 2HD PRO 2 -11.171 -16.568 -0.049 14 2HD PRO 2 1HD PRO 2 -10.675 -16.895 -1.722 15 H GLU 3 H GLU 3 -9.904 -14.582 1.295 16 HA GLU 3 HA GLU 3 -10.542 -12.594 3.065 17 1HB GLU 3 2HB GLU 3 -9.763 -14.831 3.713 18 2HB GLU 3 1HB GLU 3 -8.138 -14.419 3.186 19 1HG GLU 3 2HG GLU 3 -8.301 -14.272 5.584 20 2HG GLU 3 1HG GLU 3 -8.035 -12.669 4.898 21 H ILE 4 H ILE 4 -7.115 -13.085 2.107 22 HA ILE 4 HA ILE 4 -6.615 -10.320 2.677 23 HB ILE 4 HB ILE 4 -5.003 -12.192 3.210 24 1HG1 ILE 4 2HG1 ILE 4 -3.821 -9.964 1.547 25 2HG1 ILE 4 1HG1 ILE 4 -4.457 -9.726 3.170 26 1HG2 ILE 4 1HG2 ILE 4 -5.051 -13.427 1.142 27 2HG2 ILE 4 2HG2 ILE 4 -3.420 -12.821 1.409 28 3HG2 ILE 4 3HG2 ILE 4 -4.478 -12.021 0.246 29 1HD1 ILE 4 1HD1 ILE 4 -2.800 -11.206 4.084 30 2HD1 ILE 4 2HD1 ILE 4 -2.011 -9.967 3.104 31 3HD1 ILE 4 3HD1 ILE 4 -2.212 -11.600 2.468 32 H MET 5 H MET 5 -7.693 -11.968 -0.016 33 HA MET 5 HA MET 5 -6.433 -10.569 -2.121 34 1HB MET 5 2HB MET 5 -7.770 -12.713 -2.274 35 2HB MET 5 1HB MET 5 -9.216 -11.731 -2.114 36 1HG MET 5 2HG MET 5 -8.625 -10.526 -4.160 37 2HG MET 5 1HG MET 5 -7.192 -11.540 -4.329 38 1HE MET 5 1HE MET 5 -7.891 -12.241 -6.770 39 2HE MET 5 2HE MET 5 -9.326 -11.220 -6.660 40 3HE MET 5 3HE MET 5 -9.474 -12.895 -7.194 41 H LYS 6 H LYS 6 -9.131 -9.904 -0.021 42 HA LYS 6 HA LYS 6 -9.841 -7.467 -1.405 43 1HB LYS 6 2HB LYS 6 -10.749 -8.769 1.153 44 2HB LYS 6 1HB LYS 6 -11.223 -7.125 0.747 45 1HG LYS 6 2HG LYS 6 -11.724 -9.493 -1.038 46 2HG LYS 6 1HG LYS 6 -12.888 -8.877 0.138 47 1HD LYS 6 2HD LYS 6 -12.951 -6.739 -0.983 48 2HD LYS 6 1HD LYS 6 -11.683 -7.252 -2.099 49 1HE LYS 6 2HE LYS 6 -13.140 -8.925 -3.048 50 2HE LYS 6 1HE LYS 6 -14.391 -8.552 -1.861 51 1HZ LYS 6 1HZ LYS 6 -14.686 -7.535 -4.121 52 2HZ LYS 6 2HZ LYS 6 -13.355 -6.539 -3.776 53 3HZ LYS 6 3HZ LYS 6 -14.752 -6.453 -2.822 54 H ASN 7 H ASN 7 -8.209 -6.037 -1.401 55 HA ASN 7 HA ASN 7 -6.330 -5.681 0.649 56 1HB ASN 7 2HB ASN 7 -7.229 -3.733 -1.486 57 2HB ASN 7 1HB ASN 7 -5.816 -3.508 -0.463 58 1HD2 ASN 7 1HD2 ASN 7 -3.980 -4.746 -0.834 59 2HD2 ASN 7 2HD2 ASN 7 -3.763 -5.665 -2.281 60 H LEU 8 H LEU 8 -6.232 -4.390 2.391 61 HA LEU 8 HA LEU 8 -8.519 -3.689 3.775 62 1HB LEU 8 2HB LEU 8 -5.771 -2.478 4.068 63 2HB LEU 8 1HB LEU 8 -7.045 -2.427 5.270 64 HG LEU 8 HG LEU 8 -5.711 -4.952 4.292 65 1HD1 LEU 8 1HD1 LEU 8 -4.583 -4.988 6.437 66 2HD1 LEU 8 2HD1 LEU 8 -5.339 -3.459 6.885 67 3HD1 LEU 8 3HD1 LEU 8 -4.177 -3.514 5.559 68 1HD2 LEU 8 1HD2 LEU 8 -6.842 -5.984 6.210 69 2HD2 LEU 8 2HD2 LEU 8 -7.991 -5.323 5.048 70 3HD2 LEU 8 3HD2 LEU 8 -7.654 -4.456 6.546 71 H SER 9 H SER 9 -6.600 -1.785 1.548 72 HA SER 9 HA SER 9 -7.635 0.753 2.134 73 1HB SER 9 2HB SER 9 -6.912 1.192 -0.311 74 2HB SER 9 1HB SER 9 -5.670 0.686 0.837 75 HG SER 9 HG SER 9 -5.685 -0.457 -1.231 76 H ASN 10 H ASN 10 -8.723 -1.769 -0.089 77 HA ASN 10 HA ASN 10 -10.869 -0.184 -1.144 78 1HB ASN 10 2HB ASN 10 -10.170 -3.106 -1.423 79 2HB ASN 10 1HB ASN 10 -11.620 -2.408 -2.136 80 1HD2 ASN 10 1HD2 ASN 10 -8.198 -2.715 -2.350 81 2HD2 ASN 10 2HD2 ASN 10 -8.003 -1.874 -3.844 82 H ASN 11 H ASN 11 -10.473 -2.488 1.447 83 HA ASN 11 HA ASN 11 -13.235 -2.974 1.889 84 1HB ASN 11 2HB ASN 11 -10.891 -3.178 3.795 85 2HB ASN 11 1HB ASN 11 -12.515 -3.758 4.145 86 1HD2 ASN 11 1HD2 ASN 11 -10.035 -5.241 4.032 87 2HD2 ASN 11 2HD2 ASN 11 -10.234 -6.455 2.818 88 H PHE 12 H PHE 12 -10.936 -0.962 3.742 89 HA PHE 12 HA PHE 12 -12.820 0.629 5.029 90 1HB PHE 12 2HB PHE 12 -10.019 1.267 4.114 91 2HB PHE 12 1HB PHE 12 -10.993 2.414 5.026 92 HD1 PHE 12 1HD PHE 12 -11.930 1.608 7.283 93 HD2 PHE 12 2HD PHE 12 -8.739 -0.317 5.226 94 HE1 PHE 12 1HE PHE 12 -11.208 0.560 9.389 95 HE2 PHE 12 2HE PHE 12 -8.017 -1.372 7.327 96 HZ PHE 12 HZ PHE 12 -9.250 -0.934 9.413 97 H GLY 13 H GLY 13 -10.901 2.129 2.383 98 1HA GLY 13 2HA GLY 13 -11.524 3.648 0.795 99 2HA GLY 13 1HA GLY 13 -12.875 2.561 0.532 100 H LYS 14 H LYS 14 -12.311 4.458 3.476 101 HA LYS 14 HA LYS 14 -14.951 5.482 3.409 102 1HB LYS 14 2HB LYS 14 -13.581 5.109 5.492 103 2HB LYS 14 1HB LYS 14 -12.655 6.543 5.062 104 1HG LYS 14 2HG LYS 14 -14.651 7.907 5.195 105 2HG LYS 14 1HG LYS 14 -15.624 6.479 5.548 106 1HD LYS 14 2HD LYS 14 -14.163 6.136 7.577 107 2HD LYS 14 1HD LYS 14 -13.492 7.738 7.258 108 1HE LYS 14 2HE LYS 14 -15.271 7.895 8.895 109 2HE LYS 14 1HE LYS 14 -15.749 8.694 7.397 110 1HZ LYS 14 1HZ LYS 14 -16.965 6.647 6.802 111 2HZ LYS 14 2HZ LYS 14 -17.566 7.391 8.201 112 3HZ LYS 14 3HZ LYS 14 -16.595 6.004 8.327 113 H ALA 15 H ALA 15 -11.781 6.997 2.876 114 HA ALA 15 HA ALA 15 -12.965 8.800 0.952 115 1HB ALA 15 1HB ALA 15 -12.181 10.839 2.016 116 2HB ALA 15 2HB ALA 15 -11.576 9.912 3.390 117 3HB ALA 15 3HB ALA 15 -13.310 9.992 3.074 118 H MET 16 H MET 16 -11.647 8.269 -0.692 119 HA MET 16 HA MET 16 -8.856 7.714 -0.314 120 1HB MET 16 2HB MET 16 -10.170 6.635 -2.097 121 2HB MET 16 1HB MET 16 -10.423 8.199 -2.857 122 1HG MET 16 2HG MET 16 -8.023 8.401 -3.247 123 2HG MET 16 1HG MET 16 -7.766 6.836 -2.478 124 1HE MET 16 1HE MET 16 -9.409 8.714 -5.522 125 2HE MET 16 2HE MET 16 -10.763 7.828 -4.822 126 3HE MET 16 3HE MET 16 -10.136 7.371 -6.405 127 H ASP 17 H ASP 17 -10.748 10.503 -0.829 128 HA ASP 17 HA ASP 17 -8.967 12.133 -2.254 129 1HB ASP 17 2HB ASP 17 -11.368 12.633 -1.981 130 2HB ASP 17 1HB ASP 17 -11.086 12.988 -0.280 131 H GLN 18 H GLN 18 -8.988 11.176 1.054 132 HA GLN 18 HA GLN 18 -7.441 13.461 1.924 133 1HB GLN 18 2HB GLN 18 -7.523 12.516 4.128 134 2HB GLN 18 1HB GLN 18 -9.121 12.373 3.414 135 1HG GLN 18 2HG GLN 18 -8.689 10.017 2.918 136 2HG GLN 18 1HG GLN 18 -7.084 10.167 3.636 137 1HE2 GLN 18 1HE2 GLN 18 -6.891 10.389 5.867 138 2HE2 GLN 18 2HE2 GLN 18 -8.181 9.993 6.942 139 H CYS 19 H CYS 19 -6.859 10.172 0.897 140 HA CYS 19 HA CYS 19 -4.103 10.176 1.688 141 1HB CYS 19 2HB CYS 19 -5.765 8.444 -0.108 142 2HB CYS 19 1HB CYS 19 -4.012 8.333 -0.171 143 H LYS 20 H LYS 20 -5.948 11.140 -1.113 144 HA LYS 20 HA LYS 20 -3.826 11.407 -2.917 145 1HB LYS 20 2HB LYS 20 -6.509 11.581 -3.142 146 2HB LYS 20 1HB LYS 20 -6.097 13.289 -3.170 147 1HG LYS 20 2HG LYS 20 -4.970 11.205 -5.035 148 2HG LYS 20 1HG LYS 20 -6.288 12.310 -5.417 149 1HD LYS 20 2HD LYS 20 -4.139 13.875 -4.449 150 2HD LYS 20 1HD LYS 20 -3.467 12.729 -5.615 151 1HE LYS 20 2HE LYS 20 -4.137 14.774 -6.737 152 2HE LYS 20 1HE LYS 20 -5.151 13.430 -7.257 153 1HZ LYS 20 1HZ LYS 20 -6.502 15.359 -6.864 154 2HZ LYS 20 2HZ LYS 20 -5.884 15.541 -5.298 155 3HZ LYS 20 3HZ LYS 20 -6.855 14.202 -5.676 156 H ASP 21 H ASP 21 -5.426 13.768 -0.829 157 HA ASP 21 HA ASP 21 -3.727 15.930 -1.548 158 1HB ASP 21 2HB ASP 21 -5.901 16.435 -0.682 159 2HB ASP 21 1HB ASP 21 -5.597 15.512 0.787 160 H GLU 22 H GLU 22 -3.750 13.647 1.150 161 HA GLU 22 HA GLU 22 -1.816 14.917 2.736 162 1HB GLU 22 2HB GLU 22 -3.462 12.792 3.038 163 2HB GLU 22 1HB GLU 22 -1.931 11.963 2.810 164 1HG GLU 22 2HG GLU 22 -2.450 14.084 4.873 165 2HG GLU 22 1HG GLU 22 -2.524 12.350 5.171 166 H LEU 23 H LEU 23 -1.505 12.384 0.259 167 HA LEU 23 HA LEU 23 1.356 12.223 0.626 168 1HB LEU 23 2HB LEU 23 -0.378 11.021 -1.535 169 2HB LEU 23 1HB LEU 23 1.298 10.616 -1.220 170 HG LEU 23 HG LEU 23 -1.126 9.961 0.419 171 1HD1 LEU 23 1HD1 LEU 23 -0.434 8.383 -1.317 172 2HD1 LEU 23 2HD1 LEU 23 -0.227 7.710 0.299 173 3HD1 LEU 23 3HD1 LEU 23 1.173 8.300 -0.597 174 1HD2 LEU 23 1HD2 LEU 23 0.799 11.057 1.686 175 2HD2 LEU 23 2HD2 LEU 23 1.663 9.535 1.401 176 3HD2 LEU 23 3HD2 LEU 23 0.142 9.536 2.302 177 H SER 24 H SER 24 -0.734 14.232 -0.988 178 HA SER 24 HA SER 24 -0.594 15.728 -2.695 179 1HB SER 24 2HB SER 24 2.383 15.500 -2.176 180 2HB SER 24 1HB SER 24 1.576 16.822 -3.021 181 HG SER 24 HG SER 24 0.718 16.167 -0.439 182 H LEU 25 H LEU 25 -0.861 13.081 -3.359 183 HA LEU 25 HA LEU 25 0.986 11.853 -5.008 184 1HB LEU 25 2HB LEU 25 -2.013 11.763 -5.066 185 2HB LEU 25 1HB LEU 25 -1.051 10.828 -6.178 186 HG LEU 25 HG LEU 25 -1.195 10.476 -3.174 187 1HD1 LEU 25 1HD1 LEU 25 -2.995 9.566 -4.607 188 2HD1 LEU 25 2HD1 LEU 25 -2.099 8.359 -3.687 189 3HD1 LEU 25 3HD1 LEU 25 -1.781 8.572 -5.410 190 1HD2 LEU 25 1HD2 LEU 25 0.438 8.734 -3.403 191 2HD2 LEU 25 2HD2 LEU 25 1.127 10.251 -3.978 192 3HD2 LEU 25 3HD2 LEU 25 0.575 9.039 -5.134 193 HA PRO 26 HA PRO 26 0.874 14.602 -8.596 194 1HB PRO 26 2HB PRO 26 2.714 12.610 -9.736 195 2HB PRO 26 1HB PRO 26 2.966 14.336 -9.460 196 1HG PRO 26 2HG PRO 26 4.224 12.490 -7.982 197 2HG PRO 26 1HG PRO 26 3.665 14.021 -7.278 198 1HD PRO 26 2HD PRO 26 2.384 11.317 -7.165 199 2HD PRO 26 1HD PRO 26 2.629 12.475 -5.864 200 H ASP 27 H ASP 27 0.086 14.378 -10.742 201 HA ASP 27 HA ASP 27 -1.983 12.467 -10.964 202 1HB ASP 27 2HB ASP 27 -2.312 13.425 -13.250 203 2HB ASP 27 1HB ASP 27 -2.310 14.612 -11.950 204 H SER 28 H SER 28 1.289 12.529 -12.180 205 HA SER 28 HA SER 28 1.046 10.417 -14.037 206 1HB SER 28 2HB SER 28 3.027 11.936 -13.818 207 2HB SER 28 1HB SER 28 3.446 11.108 -12.320 208 HG SER 28 HG SER 28 3.094 9.250 -14.185 209 H VAL 29 H VAL 29 1.586 10.508 -10.552 210 HA VAL 29 HA VAL 29 2.077 7.716 -10.319 211 HB VAL 29 HB VAL 29 1.246 9.585 -8.110 212 1HG1 VAL 29 1HG1 VAL 29 2.769 7.896 -6.863 213 2HG1 VAL 29 2HG1 VAL 29 2.454 6.850 -8.245 214 3HG1 VAL 29 3HG1 VAL 29 1.114 7.433 -7.257 215 1HG2 VAL 29 1HG2 VAL 29 4.006 8.966 -9.160 216 2HG2 VAL 29 2HG2 VAL 29 3.648 9.898 -7.707 217 3HG2 VAL 29 3HG2 VAL 29 3.165 10.510 -9.290 218 H VAL 30 H VAL 30 -0.764 9.761 -9.475 219 HA VAL 30 HA VAL 30 -2.478 7.699 -8.668 220 HB VAL 30 HB VAL 30 -4.339 9.124 -9.156 221 1HG1 VAL 30 1HG1 VAL 30 -3.571 11.244 -8.082 222 2HG1 VAL 30 2HG1 VAL 30 -1.926 10.623 -8.175 223 3HG1 VAL 30 3HG1 VAL 30 -3.141 9.771 -7.221 224 1HG2 VAL 30 1HG2 VAL 30 -4.135 11.226 -10.388 225 2HG2 VAL 30 2HG2 VAL 30 -3.756 9.840 -11.411 226 3HG2 VAL 30 3HG2 VAL 30 -2.456 10.842 -10.766 227 H ALA 31 H ALA 31 -1.494 8.719 -11.864 228 HA ALA 31 HA ALA 31 -3.395 7.326 -13.401 229 1HB ALA 31 1HB ALA 31 -0.534 7.960 -14.075 230 2HB ALA 31 2HB ALA 31 -1.908 9.047 -14.311 231 3HB ALA 31 3HB ALA 31 -1.803 7.543 -15.231 232 H ASP 32 H ASP 32 -0.070 6.356 -12.455 233 HA ASP 32 HA ASP 32 -0.354 3.705 -13.499 234 1HB ASP 32 2HB ASP 32 1.590 4.807 -11.450 235 2HB ASP 32 1HB ASP 32 1.699 3.204 -12.171 236 H LEU 33 H LEU 33 -0.657 5.182 -10.359 237 HA LEU 33 HA LEU 33 -1.152 3.093 -8.692 238 1HB LEU 33 2HB LEU 33 -0.964 5.595 -8.274 239 2HB LEU 33 1HB LEU 33 -2.648 5.715 -8.723 240 HG LEU 33 HG LEU 33 -2.191 5.778 -6.281 241 1HD1 LEU 33 1HD1 LEU 33 -4.348 5.145 -7.283 242 2HD1 LEU 33 2HD1 LEU 33 -4.066 4.453 -5.680 243 3HD1 LEU 33 3HD1 LEU 33 -3.886 3.447 -7.120 244 1HD2 LEU 33 1HD2 LEU 33 -0.362 4.183 -6.241 245 2HD2 LEU 33 2HD2 LEU 33 -1.475 2.881 -6.683 246 3HD2 LEU 33 3HD2 LEU 33 -1.652 3.704 -5.131 247 H TYR 34 H TYR 34 -3.664 4.902 -10.510 248 HA TYR 34 HA TYR 34 -5.772 3.219 -9.746 249 1HB TYR 34 2HB TYR 34 -5.488 5.077 -12.089 250 2HB TYR 34 1HB TYR 34 -6.987 4.232 -11.713 251 HD1 TYR 34 1HD TYR 34 -6.313 7.303 -11.753 252 HD2 TYR 34 2HD TYR 34 -6.658 4.400 -8.661 253 HE1 TYR 34 1HE TYR 34 -6.888 9.081 -10.153 254 HE2 TYR 34 2HE TYR 34 -7.238 6.166 -7.057 255 HH TYR 34 HH TYR 34 -6.939 8.555 -6.780 256 H ASN 35 H ASN 35 -3.332 1.819 -11.439 257 HA ASN 35 HA ASN 35 -4.744 0.586 -13.572 258 1HB ASN 35 2HB ASN 35 -2.242 0.687 -13.397 259 2HB ASN 35 1HB ASN 35 -2.333 -0.491 -12.091 260 1HD2 ASN 35 1HD2 ASN 35 -1.045 -1.886 -13.355 261 2HD2 ASN 35 2HD2 ASN 35 -1.725 -2.794 -14.657 262 H PHE 36 H PHE 36 -6.518 -0.543 -13.207 263 HA PHE 36 HA PHE 36 -6.978 -1.695 -10.585 264 1HB PHE 36 2HB PHE 36 -8.662 -0.273 -11.760 265 2HB PHE 36 1HB PHE 36 -8.831 -1.538 -12.971 266 HD1 PHE 36 1HD PHE 36 -10.273 -3.344 -12.624 267 HD2 PHE 36 2HD PHE 36 -9.268 -0.792 -9.373 268 HE1 PHE 36 1HE PHE 36 -12.003 -4.422 -11.248 269 HE2 PHE 36 2HE PHE 36 -10.998 -1.863 -7.992 270 HZ PHE 36 HZ PHE 36 -12.367 -3.683 -8.929 271 H TRP 37 H TRP 37 -6.062 -2.769 -13.692 272 HA TRP 37 HA TRP 37 -6.996 -5.489 -13.234 273 1HB TRP 37 2HB TRP 37 -5.745 -4.089 -15.586 274 2HB TRP 37 1HB TRP 37 -5.886 -5.846 -15.532 275 HD1 TRP 37 HD TRP 37 -8.203 -6.883 -16.078 276 HE1 TRP 37 1HE TRP 37 -10.506 -5.929 -16.728 277 HE3 TRP 37 3HE TRP 37 -7.324 -1.936 -15.149 278 HZ2 TRP 37 2HZ TRP 37 -11.776 -3.416 -16.828 279 HZ3 TRP 37 3HZ TRP 37 -9.138 -0.321 -15.546 280 HH2 TRP 37 HH TRP 37 -11.315 -1.047 -16.369 281 H LYS 38 H LYS 38 -5.694 -7.250 -13.052 282 HA LYS 38 HA LYS 38 -3.354 -6.662 -11.492 283 1HB LYS 38 2HB LYS 38 -3.386 -9.239 -11.208 284 2HB LYS 38 1HB LYS 38 -4.626 -8.268 -10.433 285 1HG LYS 38 2HG LYS 38 -5.157 -9.427 -13.131 286 2HG LYS 38 1HG LYS 38 -5.249 -10.455 -11.706 287 1HD LYS 38 2HD LYS 38 -6.819 -8.767 -10.707 288 2HD LYS 38 1HD LYS 38 -6.845 -7.971 -12.282 289 1HE LYS 38 2HE LYS 38 -7.755 -9.950 -13.318 290 2HE LYS 38 1HE LYS 38 -7.601 -10.854 -11.810 291 1HZ LYS 38 1HZ LYS 38 -9.173 -9.244 -10.810 292 2HZ LYS 38 2HZ LYS 38 -9.859 -10.167 -12.055 293 3HZ LYS 38 3HZ LYS 38 -9.407 -8.558 -12.344 294 H ASP 39 H ASP 39 -2.465 -5.843 -13.687 295 HA ASP 39 HA ASP 39 -1.117 -7.623 -15.378 296 1HB ASP 39 2HB ASP 39 -1.227 -5.285 -15.918 297 2HB ASP 39 1HB ASP 39 -0.406 -4.845 -14.425 298 H ASP 40 H ASP 40 -0.484 -6.778 -12.068 299 HA ASP 40 HA ASP 40 1.138 -7.228 -10.573 300 1HB ASP 40 2HB ASP 40 0.732 -9.595 -11.460 301 2HB ASP 40 1HB ASP 40 2.182 -9.366 -12.432 302 H TYR 41 H TYR 41 1.865 -5.118 -11.302 303 HA TYR 41 HA TYR 41 4.223 -5.113 -13.012 304 1HB TYR 41 2HB TYR 41 3.943 -2.594 -12.841 305 2HB TYR 41 1HB TYR 41 2.643 -3.459 -13.647 306 HD1 TYR 41 1HD TYR 41 0.422 -3.270 -12.884 307 HD2 TYR 41 2HD TYR 41 3.596 -1.866 -10.421 308 HE1 TYR 41 1HE TYR 41 -1.215 -2.206 -11.388 309 HE2 TYR 41 2HE TYR 41 1.961 -0.802 -8.923 310 HH TYR 41 HH TYR 41 -1.399 -1.396 -9.110 311 H VAL 42 H VAL 42 6.099 -3.804 -12.363 312 HA VAL 42 HA VAL 42 6.735 -4.178 -9.556 313 HB VAL 42 HB VAL 42 8.447 -3.064 -11.789 314 1HG1 VAL 42 1HG1 VAL 42 9.193 -3.974 -9.009 315 2HG1 VAL 42 2HG1 VAL 42 9.193 -2.312 -9.598 316 3HG1 VAL 42 3HG1 VAL 42 10.328 -3.484 -10.268 317 1HG2 VAL 42 1HG2 VAL 42 7.833 -5.380 -12.208 318 2HG2 VAL 42 2HG2 VAL 42 8.360 -5.831 -10.587 319 3HG2 VAL 42 3HG2 VAL 42 9.538 -5.265 -11.772 320 H MET 43 H MET 43 6.441 -2.665 -8.105 321 HA MET 43 HA MET 43 5.506 -0.052 -8.808 322 1HB MET 43 2HB MET 43 4.796 -1.470 -6.800 323 2HB MET 43 1HB MET 43 6.323 -0.998 -6.067 324 1HG MET 43 2HG MET 43 4.731 0.479 -5.220 325 2HG MET 43 1HG MET 43 5.600 1.397 -6.431 326 1HE MET 43 1HE MET 43 2.779 -1.352 -6.774 327 2HE MET 43 2HE MET 43 1.357 -0.323 -6.939 328 3HE MET 43 3HE MET 43 2.271 -0.327 -5.432 329 H THR 44 H THR 44 7.053 1.314 -9.672 330 HA THR 44 HA THR 44 9.530 1.487 -8.119 331 HB THR 44 HB THR 44 10.420 2.687 -10.199 332 HG1 THR 44 1HG THR 44 9.207 2.050 -12.131 333 1HG2 THR 44 1HG2 THR 44 9.590 -0.209 -10.515 334 2HG2 THR 44 2HG2 THR 44 10.981 0.350 -9.582 335 3HG2 THR 44 3HG2 THR 44 10.933 0.601 -11.327 336 H ASP 45 H ASP 45 6.660 3.142 -8.475 337 HA ASP 45 HA ASP 45 7.899 5.770 -8.051 338 1HB ASP 45 2HB ASP 45 5.918 5.449 -9.634 339 2HB ASP 45 1HB ASP 45 4.944 5.234 -8.187 340 H ARG 46 H ARG 46 7.895 6.828 -6.182 341 HA ARG 46 HA ARG 46 7.661 5.145 -3.877 342 1HB ARG 46 2HB ARG 46 8.504 8.052 -4.138 343 2HB ARG 46 1HB ARG 46 8.472 7.176 -2.621 344 1HG ARG 46 2HG ARG 46 10.699 7.208 -3.426 345 2HG ARG 46 1HG ARG 46 10.103 5.561 -3.589 346 1HD ARG 46 2HD ARG 46 9.666 5.993 -5.975 347 2HD ARG 46 1HD ARG 46 10.339 7.614 -5.787 348 HE ARG 46 HE ARG 46 12.247 5.819 -4.839 349 1HH1 ARG 46 1HH1 ARG 46 10.723 6.655 -7.888 350 2HH1 ARG 46 2HH1 ARG 46 12.027 6.033 -8.855 351 1HH2 ARG 46 1HH2 ARG 46 13.969 5.046 -6.099 352 2HH2 ARG 46 2HH2 ARG 46 13.881 5.150 -7.840 353 H LEU 47 H LEU 47 5.599 7.459 -5.415 354 HA LEU 47 HA LEU 47 4.167 8.143 -3.015 355 1HB LEU 47 2HB LEU 47 3.852 8.800 -5.927 356 2HB LEU 47 1HB LEU 47 2.495 9.017 -4.841 357 HG LEU 47 HG LEU 47 3.593 11.110 -5.085 358 1HD1 LEU 47 1HD1 LEU 47 2.805 10.420 -2.839 359 2HD1 LEU 47 2HD1 LEU 47 4.064 11.659 -2.820 360 3HD1 LEU 47 3HD1 LEU 47 4.467 9.982 -2.439 361 1HD2 LEU 47 1HD2 LEU 47 5.746 10.248 -5.879 362 2HD2 LEU 47 2HD2 LEU 47 6.143 9.751 -4.231 363 3HD2 LEU 47 3HD2 LEU 47 5.939 11.462 -4.612 364 H ALA 48 H ALA 48 4.221 5.540 -5.168 365 HA ALA 48 HA ALA 48 1.383 4.981 -4.970 366 1HB ALA 48 1HB ALA 48 2.700 4.598 -7.054 367 2HB ALA 48 2HB ALA 48 1.781 3.205 -6.498 368 3HB ALA 48 3HB ALA 48 3.523 3.282 -6.226 369 H GLY 49 H GLY 49 4.378 3.139 -4.346 370 1HA GLY 49 2HA GLY 49 3.720 1.400 -2.425 371 2HA GLY 49 1HA GLY 49 5.140 2.417 -2.261 372 H CYS 50 H CYS 50 4.117 4.914 -1.598 373 HA CYS 50 HA CYS 50 3.340 4.593 1.079 374 1HB CYS 50 2HB CYS 50 3.461 6.923 -0.800 375 2HB CYS 50 1HB CYS 50 2.687 7.121 0.763 376 H ALA 51 H ALA 51 1.421 5.271 -1.826 377 HA ALA 51 HA ALA 51 -0.986 5.895 -0.486 378 1HB ALA 51 1HB ALA 51 -0.538 6.541 -2.803 379 2HB ALA 51 2HB ALA 51 -2.054 5.653 -2.652 380 3HB ALA 51 3HB ALA 51 -0.621 4.846 -3.287 381 H ILE 52 H ILE 52 0.516 2.876 -1.209 382 HA ILE 52 HA ILE 52 -1.754 1.211 -1.288 383 HB ILE 52 HB ILE 52 1.055 0.552 -0.379 384 1HG1 ILE 52 2HG1 ILE 52 0.997 1.390 -2.668 385 2HG1 ILE 52 1HG1 ILE 52 1.330 -0.339 -2.668 386 1HG2 ILE 52 1HG2 ILE 52 -0.505 -1.125 0.421 387 2HG2 ILE 52 2HG2 ILE 52 0.478 -1.783 -0.887 388 3HG2 ILE 52 3HG2 ILE 52 -1.188 -1.293 -1.196 389 1HD1 ILE 52 1HD1 ILE 52 -1.339 0.932 -3.239 390 2HD1 ILE 52 2HD1 ILE 52 -0.982 -0.794 -3.270 391 3HD1 ILE 52 3HD1 ILE 52 -0.220 0.285 -4.439 392 H ASN 53 H ASN 53 -0.064 2.697 1.372 393 HA ASN 53 HA ASN 53 -1.848 1.306 3.248 394 1HB ASN 53 2HB ASN 53 0.053 0.990 4.819 395 2HB ASN 53 1HB ASN 53 0.237 0.071 3.329 396 1HD2 ASN 53 1HD2 ASN 53 1.785 0.751 1.801 397 2HD2 ASN 53 2HD2 ASN 53 3.097 1.779 2.247 398 H CYS 54 H CYS 54 -2.295 3.869 2.351 399 HA CYS 54 HA CYS 54 -1.152 5.674 4.337 400 1HB CYS 54 2HB CYS 54 -2.275 7.455 3.016 401 2HB CYS 54 1HB CYS 54 -1.162 6.478 2.065 402 H LEU 55 H LEU 55 -4.242 4.203 3.522 403 HA LEU 55 HA LEU 55 -5.978 6.047 4.687 404 1HB LEU 55 2HB LEU 55 -6.250 3.104 4.175 405 2HB LEU 55 1HB LEU 55 -7.526 3.997 4.971 406 HG LEU 55 HG LEU 55 -7.553 5.517 2.914 407 1HD1 LEU 55 1HD1 LEU 55 -5.991 3.207 1.757 408 2HD1 LEU 55 2HD1 LEU 55 -5.391 4.850 1.990 409 3HD1 LEU 55 3HD1 LEU 55 -6.698 4.542 0.847 410 1HD2 LEU 55 1HD2 LEU 55 -8.316 2.615 2.612 411 2HD2 LEU 55 2HD2 LEU 55 -8.954 3.959 1.665 412 3HD2 LEU 55 3HD2 LEU 55 -9.278 3.868 3.397 413 H ALA 56 H ALA 56 -5.165 2.888 6.149 414 HA ALA 56 HA ALA 56 -6.373 3.776 8.613 415 1HB ALA 56 1HB ALA 56 -6.757 1.508 7.781 416 2HB ALA 56 2HB ALA 56 -6.010 1.496 9.380 417 3HB ALA 56 3HB ALA 56 -5.036 1.157 7.949 418 H THR 57 H THR 57 -3.330 3.944 7.262 419 HA THR 57 HA THR 57 -1.845 3.760 9.711 420 HB THR 57 HB THR 57 -0.968 4.843 7.035 421 HG1 THR 57 1HG THR 57 -0.419 2.827 6.538 422 1HG2 THR 57 1HG2 THR 57 0.454 4.195 9.564 423 2HG2 THR 57 2HG2 THR 57 0.553 5.665 8.594 424 3HG2 THR 57 3HG2 THR 57 1.298 4.171 8.017 425 H LYS 58 H LYS 58 -3.214 6.328 7.688 426 HA LYS 58 HA LYS 58 -2.257 8.403 9.420 427 1HB LYS 58 2HB LYS 58 -4.426 8.446 7.312 428 2HB LYS 58 1HB LYS 58 -3.835 9.866 8.156 429 1HG LYS 58 2HG LYS 58 -1.954 8.144 6.591 430 2HG LYS 58 1HG LYS 58 -2.970 9.329 5.779 431 1HD LYS 58 2HD LYS 58 -0.763 9.807 7.775 432 2HD LYS 58 1HD LYS 58 -0.943 10.439 6.147 433 1HE LYS 58 2HE LYS 58 -2.893 11.752 6.890 434 2HE LYS 58 1HE LYS 58 -2.627 11.179 8.535 435 1HZ LYS 58 1HZ LYS 58 -0.653 12.741 6.954 436 2HZ LYS 58 2HZ LYS 58 -0.500 12.277 8.577 437 3HZ LYS 58 3HZ LYS 58 -1.691 13.396 8.120 438 H LEU 59 H LEU 59 -5.012 6.280 9.374 439 HA LEU 59 HA LEU 59 -6.648 7.722 11.159 440 1HB LEU 59 2HB LEU 59 -6.360 4.751 10.802 441 2HB LEU 59 1HB LEU 59 -7.630 5.529 11.725 442 HG LEU 59 HG LEU 59 -7.245 5.414 8.763 443 1HD1 LEU 59 1HD1 LEU 59 -9.546 5.061 10.649 444 2HD1 LEU 59 2HD1 LEU 59 -8.678 3.786 9.789 445 3HD1 LEU 59 3HD1 LEU 59 -9.671 4.940 8.894 446 1HD2 LEU 59 1HD2 LEU 59 -7.471 7.752 8.986 447 2HD2 LEU 59 2HD2 LEU 59 -8.660 7.595 10.280 448 3HD2 LEU 59 3HD2 LEU 59 -9.092 7.157 8.627 449 H ASP 60 H ASP 60 -4.557 4.911 11.954 450 HA ASP 60 HA ASP 60 -3.311 6.104 14.170 451 1HB ASP 60 2HB ASP 60 -5.640 6.015 15.108 452 2HB ASP 60 1HB ASP 60 -5.571 4.260 14.977 453 H VAL 61 H VAL 61 -1.474 4.973 14.317 454 HA VAL 61 HA VAL 61 -1.306 2.187 14.642 455 HB VAL 61 HB VAL 61 -2.106 2.249 12.273 456 1HG1 VAL 61 1HG1 VAL 61 -1.022 4.282 11.557 457 2HG1 VAL 61 2HG1 VAL 61 -0.543 2.938 10.521 458 3HG1 VAL 61 3HG1 VAL 61 0.564 3.536 11.758 459 1HG2 VAL 61 1HG2 VAL 61 0.685 1.150 12.466 460 2HG2 VAL 61 2HG2 VAL 61 -0.635 0.573 11.445 461 3HG2 VAL 61 3HG2 VAL 61 -0.724 0.377 13.197 462 H VAL 62 H VAL 62 -0.070 4.573 15.749 463 HA VAL 62 HA VAL 62 2.635 4.409 14.624 464 HB VAL 62 HB VAL 62 3.119 6.577 15.326 465 1HG1 VAL 62 1HG1 VAL 62 1.351 7.961 14.397 466 2HG1 VAL 62 2HG1 VAL 62 0.238 6.597 14.491 467 3HG1 VAL 62 3HG1 VAL 62 1.639 6.518 13.424 468 1HG2 VAL 62 1HG2 VAL 62 0.678 6.513 17.086 469 2HG2 VAL 62 2HG2 VAL 62 1.654 7.945 16.783 470 3HG2 VAL 62 3HG2 VAL 62 2.359 6.556 17.607 471 H ASP 63 H ASP 63 4.077 3.231 15.655 472 HA ASP 63 HA ASP 63 3.682 2.153 18.222 473 1HB ASP 63 2HB ASP 63 5.242 1.424 16.185 474 2HB ASP 63 1HB ASP 63 6.446 2.299 17.117 475 HA PRO 64 HA PRO 64 6.888 5.107 19.971 476 1HB PRO 64 2HB PRO 64 8.262 6.731 18.126 477 2HB PRO 64 1HB PRO 64 8.795 5.167 18.740 478 1HG PRO 64 2HG PRO 64 8.115 5.724 16.092 479 2HG PRO 64 1HG PRO 64 8.232 4.107 16.809 480 1HD PRO 64 2HD PRO 64 5.806 5.825 16.406 481 2HD PRO 64 1HD PRO 64 5.996 4.089 16.125 482 H ASP 65 H ASP 65 7.806 7.804 18.988 483 HA ASP 65 HA ASP 65 5.738 9.328 20.258 484 1HB ASP 65 2HB ASP 65 8.415 10.004 19.064 485 2HB ASP 65 1HB ASP 65 7.337 11.259 19.650 486 H GLY 66 H GLY 66 5.488 8.155 17.350 487 1HA GLY 66 2HA GLY 66 3.685 9.430 16.036 488 2HA GLY 66 1HA GLY 66 4.906 10.686 15.965 489 H ASN 67 H ASN 67 6.966 10.120 15.023 490 HA ASN 67 HA ASN 67 6.646 8.844 12.485 491 1HB ASN 67 2HB ASN 67 9.149 9.406 12.330 492 2HB ASN 67 1HB ASN 67 8.032 10.759 12.505 493 1HD2 ASN 67 1HD2 ASN 67 10.499 8.856 14.071 494 2HD2 ASN 67 2HD2 ASN 67 10.721 9.909 15.427 495 H LEU 68 H LEU 68 8.000 7.136 11.662 496 HA LEU 68 HA LEU 68 9.154 5.194 11.657 497 1HB LEU 68 2HB LEU 68 10.061 6.354 14.248 498 2HB LEU 68 1HB LEU 68 10.438 4.676 13.905 499 HG LEU 68 HG LEU 68 12.295 6.140 13.293 500 1HD1 LEU 68 1HD1 LEU 68 11.903 4.088 12.018 501 2HD1 LEU 68 2HD1 LEU 68 12.643 5.348 11.032 502 3HD1 LEU 68 3HD1 LEU 68 10.922 4.993 10.868 503 1HD2 LEU 68 1HD2 LEU 68 10.338 7.416 11.388 504 2HD2 LEU 68 2HD2 LEU 68 12.076 7.713 11.422 505 3HD2 LEU 68 3HD2 LEU 68 11.076 8.178 12.799 506 H HIS 69 H HIS 69 6.479 5.056 12.165 507 HA HIS 69 HA HIS 69 6.050 3.200 14.341 508 1HB HIS 69 2HB HIS 69 3.692 3.086 13.275 509 2HB HIS 69 1HB HIS 69 4.186 4.576 14.061 510 HD1 HIS 69 1HD HIS 69 4.000 3.131 10.537 511 HD2 HIS 69 2HD HIS 69 3.886 6.784 12.521 512 HE1 HIS 69 1HE HIS 69 3.453 4.843 8.777 513 HE2 HIS 69 2HE HIS 69 3.574 7.066 9.969 514 H HIS 70 H HIS 70 7.592 1.668 13.597 515 HA HIS 70 HA HIS 70 7.065 0.236 11.133 516 1HB HIS 70 2HB HIS 70 9.344 0.657 11.554 517 2HB HIS 70 1HB HIS 70 9.215 0.159 13.233 518 HD1 HIS 70 1HD HIS 70 9.156 -1.383 9.755 519 HD2 HIS 70 2HD HIS 70 9.974 -2.361 13.712 520 HE1 HIS 70 1HE HIS 70 10.106 -3.717 9.695 521 HE2 HIS 70 2HE HIS 70 10.842 -4.158 12.065 522 H GLY 71 H GLY 71 7.508 -0.762 14.535 523 1HA GLY 71 2HA GLY 71 6.647 -3.419 14.204 524 2HA GLY 71 1HA GLY 71 6.671 -2.543 15.723 525 H ASN 72 H ASN 72 4.852 -0.679 15.519 526 HA ASN 72 HA ASN 72 2.437 -1.976 15.940 527 1HB ASN 72 2HB ASN 72 3.144 0.362 16.689 528 2HB ASN 72 1HB ASN 72 2.635 0.915 15.100 529 1HD2 ASN 72 1HD2 ASN 72 1.670 1.307 17.948 530 2HD2 ASN 72 2HD2 ASN 72 -0.032 1.022 17.859 531 H ALA 73 H ALA 73 3.700 -0.602 12.934 532 HA ALA 73 HA ALA 73 1.220 -0.669 11.537 533 1HB ALA 73 1HB ALA 73 3.077 0.769 10.837 534 2HB ALA 73 2HB ALA 73 2.547 -0.292 9.532 535 3HB ALA 73 3HB ALA 73 4.023 -0.661 10.424 536 H LYS 74 H LYS 74 3.869 -2.959 11.941 537 HA LYS 74 HA LYS 74 2.775 -4.784 9.993 538 1HB LYS 74 2HB LYS 74 4.860 -5.422 12.070 539 2HB LYS 74 1HB LYS 74 4.551 -6.272 10.562 540 1HG LYS 74 2HG LYS 74 5.955 -3.689 11.032 541 2HG LYS 74 1HG LYS 74 6.420 -5.069 10.051 542 1HD LYS 74 2HD LYS 74 4.156 -3.220 9.351 543 2HD LYS 74 1HD LYS 74 5.802 -3.023 8.756 544 1HE LYS 74 2HE LYS 74 5.693 -5.173 7.653 545 2HE LYS 74 1HE LYS 74 4.085 -5.462 8.321 546 1HZ LYS 74 1HZ LYS 74 4.745 -3.182 6.536 547 2HZ LYS 74 2HZ LYS 74 3.202 -3.680 7.040 548 3HZ LYS 74 3HZ LYS 74 4.105 -4.651 5.981 549 H ASP 75 H ASP 75 2.817 -4.418 13.477 550 HA ASP 75 HA ASP 75 1.376 -6.744 14.161 551 1HB ASP 75 2HB ASP 75 2.554 -5.370 15.822 552 2HB ASP 75 1HB ASP 75 1.448 -4.035 15.519 553 H PHE 76 H PHE 76 0.421 -3.540 13.110 554 HA PHE 76 HA PHE 76 -2.352 -3.763 13.429 555 1HB PHE 76 2HB PHE 76 -1.063 -1.669 12.906 556 2HB PHE 76 1HB PHE 76 -0.904 -2.243 11.252 557 HD1 PHE 76 1HD PHE 76 -2.710 -2.072 9.711 558 HD2 PHE 76 2HD PHE 76 -3.266 -1.045 13.802 559 HE1 PHE 76 1HE PHE 76 -4.859 -1.018 9.148 560 HE2 PHE 76 2HE PHE 76 -5.420 0.010 13.247 561 HZ PHE 76 HZ PHE 76 -6.218 0.023 10.917 562 H ALA 77 H ALA 77 -0.200 -4.818 10.830 563 HA ALA 77 HA ALA 77 -2.255 -5.651 9.047 564 1HB ALA 77 1HB ALA 77 -0.374 -7.177 8.162 565 2HB ALA 77 2HB ALA 77 0.651 -6.319 9.318 566 3HB ALA 77 3HB ALA 77 -0.172 -5.427 8.037 567 H MET 78 H MET 78 -0.606 -7.201 11.731 568 HA MET 78 HA MET 78 -1.589 -9.817 11.249 569 1HB MET 78 2HB MET 78 -0.675 -8.536 13.834 570 2HB MET 78 1HB MET 78 -1.003 -10.250 13.635 571 1HG MET 78 2HG MET 78 0.783 -10.383 11.962 572 2HG MET 78 1HG MET 78 1.125 -8.671 12.211 573 1HE MET 78 1HE MET 78 4.213 -10.350 13.919 574 2HE MET 78 2HE MET 78 3.671 -9.132 12.766 575 3HE MET 78 3HE MET 78 3.393 -10.843 12.435 576 H LYS 79 H LYS 79 -2.886 -7.103 13.132 577 HA LYS 79 HA LYS 79 -5.128 -8.786 13.919 578 1HB LYS 79 2HB LYS 79 -5.815 -6.756 15.251 579 2HB LYS 79 1HB LYS 79 -4.295 -7.503 15.714 580 1HG LYS 79 2HG LYS 79 -3.196 -5.737 14.219 581 2HG LYS 79 1HG LYS 79 -4.757 -4.913 14.287 582 1HD LYS 79 2HD LYS 79 -4.636 -4.881 16.727 583 2HD LYS 79 1HD LYS 79 -3.087 -5.726 16.666 584 1HE LYS 79 2HE LYS 79 -2.249 -3.789 15.265 585 2HE LYS 79 1HE LYS 79 -3.730 -2.945 15.720 586 1HZ LYS 79 1HZ LYS 79 -2.138 -2.269 17.266 587 2HZ LYS 79 2HZ LYS 79 -1.511 -3.834 17.459 588 3HZ LYS 79 3HZ LYS 79 -3.038 -3.448 18.098 589 H HIS 80 H HIS 80 -4.340 -6.838 11.341 590 HA HIS 80 HA HIS 80 -7.182 -6.725 10.602 591 1HB HIS 80 2HB HIS 80 -5.206 -4.502 10.029 592 2HB HIS 80 1HB HIS 80 -6.883 -4.556 9.498 593 HD1 HIS 80 1HD HIS 80 -8.653 -3.770 11.153 594 HD2 HIS 80 2HD HIS 80 -4.840 -4.034 12.785 595 HE1 HIS 80 1HE HIS 80 -8.810 -2.707 13.433 596 HE2 HIS 80 2HE HIS 80 -6.494 -2.935 14.424 597 H GLY 81 H GLY 81 -6.782 -8.641 9.374 598 1HA GLY 81 2HA GLY 81 -6.934 -8.783 6.882 599 2HA GLY 81 1HA GLY 81 -5.353 -8.020 6.863 600 H ALA 82 H ALA 82 -3.619 -9.237 8.061 601 HA ALA 82 HA ALA 82 -3.819 -12.007 7.121 602 1HB ALA 82 1HB ALA 82 -1.233 -10.785 7.923 603 2HB ALA 82 2HB ALA 82 -1.977 -10.279 6.405 604 3HB ALA 82 3HB ALA 82 -1.573 -11.977 6.668 605 H ASP 83 H ASP 83 -3.734 -13.673 8.478 606 HA ASP 83 HA ASP 83 -3.392 -13.214 11.297 607 1HB ASP 83 2HB ASP 83 -3.642 -15.696 11.496 608 2HB ASP 83 1HB ASP 83 -4.996 -14.867 10.763 609 H GLU 84 H GLU 84 -1.886 -15.056 12.377 610 HA GLU 84 HA GLU 84 0.441 -13.685 12.136 611 1HB GLU 84 2HB GLU 84 -0.421 -16.100 13.607 612 2HB GLU 84 1HB GLU 84 1.313 -15.861 13.449 613 1HG GLU 84 2HG GLU 84 0.938 -13.538 14.378 614 2HG GLU 84 1HG GLU 84 -0.693 -14.075 14.788 615 H THR 85 H THR 85 -0.340 -16.928 10.897 616 HA THR 85 HA THR 85 2.207 -17.691 10.141 617 HB THR 85 HB THR 85 0.316 -19.234 10.094 618 HG1 THR 85 1HG THR 85 0.832 -20.104 7.871 619 1HG2 THR 85 1HG2 THR 85 -1.359 -17.757 9.119 620 2HG2 THR 85 2HG2 THR 85 -1.238 -19.265 8.215 621 3HG2 THR 85 3HG2 THR 85 -0.507 -17.790 7.578 622 H MET 86 H MET 86 -0.040 -15.554 8.348 623 HA MET 86 HA MET 86 1.641 -15.652 6.000 624 1HB MET 86 2HB MET 86 -0.781 -13.924 6.530 625 2HB MET 86 1HB MET 86 -0.007 -14.192 4.972 626 1HG MET 86 2HG MET 86 -0.542 -16.614 5.222 627 2HG MET 86 1HG MET 86 -1.473 -16.185 6.657 628 1HE MET 86 1HE MET 86 -4.329 -13.969 5.137 629 2HE MET 86 2HE MET 86 -2.795 -13.413 5.805 630 3HE MET 86 3HE MET 86 -3.683 -14.713 6.600 631 H ALA 87 H ALA 87 0.798 -13.416 8.564 632 HA ALA 87 HA ALA 87 2.403 -11.257 7.804 633 1HB ALA 87 1HB ALA 87 1.572 -12.331 10.487 634 2HB ALA 87 2HB ALA 87 0.902 -10.954 9.609 635 3HB ALA 87 3HB ALA 87 2.519 -10.851 10.310 636 H GLN 88 H GLN 88 3.103 -14.298 9.403 637 HA GLN 88 HA GLN 88 5.818 -13.658 10.059 638 1HB GLN 88 2HB GLN 88 4.026 -15.952 10.365 639 2HB GLN 88 1HB GLN 88 5.706 -16.393 10.105 640 1HG GLN 88 2HG GLN 88 4.986 -16.157 12.498 641 2HG GLN 88 1HG GLN 88 6.413 -15.237 12.031 642 1HE2 GLN 88 1HE2 GLN 88 3.063 -15.063 12.990 643 2HE2 GLN 88 2HE2 GLN 88 3.052 -13.353 13.288 644 H GLN 89 H GLN 89 4.209 -15.004 7.268 645 HA GLN 89 HA GLN 89 6.643 -15.900 6.031 646 1HB GLN 89 2HB GLN 89 4.020 -15.276 4.633 647 2HB GLN 89 1HB GLN 89 5.345 -16.242 4.017 648 1HG GLN 89 2HG GLN 89 3.465 -16.935 6.268 649 2HG GLN 89 1HG GLN 89 3.588 -17.695 4.680 650 1HE2 GLN 89 1HE2 GLN 89 3.828 -18.791 7.392 651 2HE2 GLN 89 2HE2 GLN 89 5.364 -19.593 7.432 652 H LEU 90 H LEU 90 4.987 -12.912 6.401 653 HA LEU 90 HA LEU 90 6.286 -11.653 4.131 654 1HB LEU 90 2HB LEU 90 3.975 -11.087 4.665 655 2HB LEU 90 1HB LEU 90 4.456 -10.556 6.264 656 HG LEU 90 HG LEU 90 5.777 -8.733 5.238 657 1HD1 LEU 90 1HD1 LEU 90 5.454 -8.199 2.878 658 2HD1 LEU 90 2HD1 LEU 90 4.527 -9.683 2.666 659 3HD1 LEU 90 3HD1 LEU 90 6.240 -9.765 3.080 660 1HD2 LEU 90 1HD2 LEU 90 2.869 -8.853 4.461 661 2HD2 LEU 90 2HD2 LEU 90 3.844 -7.385 4.536 662 3HD2 LEU 90 3HD2 LEU 90 3.522 -8.307 6.004 663 H VAL 91 H VAL 91 6.322 -11.430 7.671 664 HA VAL 91 HA VAL 91 7.912 -9.160 7.931 665 HB VAL 91 HB VAL 91 8.436 -10.027 10.226 666 1HG1 VAL 91 1HG1 VAL 91 6.035 -10.085 10.987 667 2HG1 VAL 91 2HG1 VAL 91 5.587 -10.003 9.281 668 3HG1 VAL 91 3HG1 VAL 91 6.497 -8.682 10.017 669 1HG2 VAL 91 1HG2 VAL 91 7.173 -12.422 9.067 670 2HG2 VAL 91 2HG2 VAL 91 6.942 -12.088 10.783 671 3HG2 VAL 91 3HG2 VAL 91 8.571 -12.297 10.132 672 H ASP 92 H ASP 92 8.913 -12.536 7.551 673 HA ASP 92 HA ASP 92 11.581 -12.099 8.385 674 1HB ASP 92 2HB ASP 92 10.731 -14.327 8.497 675 2HB ASP 92 1HB ASP 92 10.335 -14.335 6.782 676 H ILE 93 H ILE 93 9.991 -12.228 5.260 677 HA ILE 93 HA ILE 93 12.267 -11.934 3.644 678 HB ILE 93 HB ILE 93 9.342 -11.429 3.248 679 1HG1 ILE 93 2HG1 ILE 93 9.633 -13.118 1.462 680 2HG1 ILE 93 1HG1 ILE 93 11.348 -13.202 1.842 681 1HG2 ILE 93 1HG2 ILE 93 10.565 -9.595 2.110 682 2HG2 ILE 93 2HG2 ILE 93 9.654 -10.640 1.017 683 3HG2 ILE 93 3HG2 ILE 93 11.404 -10.815 1.148 684 1HD1 ILE 93 1HD1 ILE 93 9.116 -13.927 3.730 685 2HD1 ILE 93 2HD1 ILE 93 10.846 -14.105 4.027 686 3HD1 ILE 93 3HD1 ILE 93 10.063 -15.072 2.777 687 H ILE 94 H ILE 94 10.049 -9.604 5.111 688 HA ILE 94 HA ILE 94 11.041 -7.249 4.005 689 HB ILE 94 HB ILE 94 10.022 -7.620 6.824 690 1HG1 ILE 94 2HG1 ILE 94 8.561 -6.907 4.273 691 2HG1 ILE 94 1HG1 ILE 94 8.418 -8.417 5.170 692 1HG2 ILE 94 1HG2 ILE 94 10.221 -5.137 5.118 693 2HG2 ILE 94 2HG2 ILE 94 11.200 -5.505 6.537 694 3HG2 ILE 94 3HG2 ILE 94 9.465 -5.232 6.710 695 1HD1 ILE 94 1HD1 ILE 94 7.691 -5.720 6.261 696 2HD1 ILE 94 2HD1 ILE 94 7.401 -7.287 7.018 697 3HD1 ILE 94 3HD1 ILE 94 6.545 -6.849 5.540 698 H HIS 95 H HIS 95 12.086 -9.028 6.884 699 HA HIS 95 HA HIS 95 13.949 -7.061 7.734 700 1HB HIS 95 2HB HIS 95 14.111 -10.016 8.354 701 2HB HIS 95 1HB HIS 95 14.848 -8.705 9.243 702 HD1 HIS 95 1HD HIS 95 12.885 -10.831 10.456 703 HD2 HIS 95 2HD HIS 95 11.861 -6.980 9.283 704 HE1 HIS 95 1HE HIS 95 10.842 -10.240 11.796 705 HE2 HIS 95 2HE HIS 95 10.383 -7.825 11.234 706 H GLY 96 H GLY 96 14.140 -9.740 5.492 707 1HA GLY 96 2HA GLY 96 17.023 -9.862 5.684 708 2HA GLY 96 1HA GLY 96 16.001 -10.836 4.633 709 H CYS 97 H CYS 97 14.804 -9.243 2.918 710 HA CYS 97 HA CYS 97 17.039 -8.292 1.481 711 1HB CYS 97 2HB CYS 97 15.411 -7.663 -0.308 712 2HB CYS 97 1HB CYS 97 15.518 -9.341 0.127 713 H GLU 98 H GLU 98 14.540 -6.601 3.365 714 HA GLU 98 HA GLU 98 15.329 -4.068 2.425 715 1HB GLU 98 2HB GLU 98 13.480 -4.885 4.229 716 2HB GLU 98 1HB GLU 98 14.711 -4.269 5.321 717 1HG GLU 98 2HG GLU 98 13.555 -2.668 3.054 718 2HG GLU 98 1HG GLU 98 12.894 -2.658 4.685 719 H LYS 99 H LYS 99 16.681 -6.175 4.930 720 HA LYS 99 HA LYS 99 18.686 -4.425 5.855 721 1HB LYS 99 2HB LYS 99 18.095 -6.395 7.104 722 2HB LYS 99 1HB LYS 99 18.526 -7.438 5.761 723 1HG LYS 99 2HG LYS 99 20.876 -6.735 6.024 724 2HG LYS 99 1HG LYS 99 20.400 -5.797 7.439 725 1HD LYS 99 2HD LYS 99 19.964 -8.765 7.146 726 2HD LYS 99 1HD LYS 99 21.341 -8.042 7.978 727 1HE LYS 99 2HE LYS 99 19.842 -6.975 9.571 728 2HE LYS 99 1HE LYS 99 18.443 -7.618 8.711 729 1HZ LYS 99 1HZ LYS 99 19.177 -8.869 10.758 730 2HZ LYS 99 2HZ LYS 99 20.530 -9.375 9.869 731 3HZ LYS 99 3HZ LYS 99 18.970 -9.796 9.355 732 H SER 100 H SER 100 18.665 -6.821 3.248 733 HA SER 100 HA SER 100 21.371 -5.981 2.492 734 1HB SER 100 2HB SER 100 19.789 -8.428 1.680 735 2HB SER 100 1HB SER 100 21.429 -8.057 1.151 736 HG SER 100 HG SER 100 21.999 -8.033 3.417 737 H ALA 101 H ALA 101 18.814 -4.515 1.881 738 HA ALA 101 HA ALA 101 18.430 -4.635 -0.935 739 1HB ALA 101 1HB ALA 101 17.775 -2.583 1.163 740 2HB ALA 101 2HB ALA 101 16.670 -3.576 0.196 741 3HB ALA 101 3HB ALA 101 17.545 -2.234 -0.549 742 HA PRO 102 HA PRO 102 21.947 -2.651 -2.691 743 1HB PRO 102 2HB PRO 102 20.074 -0.711 -3.970 744 2HB PRO 102 1HB PRO 102 21.320 -1.724 -4.709 745 1HG PRO 102 2HG PRO 102 18.761 -2.373 -4.955 746 2HG PRO 102 1HG PRO 102 19.980 -3.629 -4.661 747 1HD PRO 102 2HD PRO 102 18.028 -2.396 -2.759 748 2HD PRO 102 1HD PRO 102 18.557 -4.086 -2.892 749 HA PRO 103 HA PRO 103 23.070 0.927 -0.348 750 1HB PRO 103 2HB PRO 103 24.551 2.036 -2.632 751 2HB PRO 103 1HB PRO 103 25.159 1.427 -1.090 752 1HG PRO 103 2HG PRO 103 25.546 0.088 -3.381 753 2HG PRO 103 1HG PRO 103 25.271 -0.752 -1.843 754 1HD PRO 103 2HD PRO 103 23.340 -0.208 -4.076 755 2HD PRO 103 1HD PRO 103 23.586 -1.700 -3.142 756 H ASN 104 H ASN 104 20.623 1.172 -2.005 757 HA ASN 104 HA ASN 104 20.545 4.107 -2.199 758 1HB ASN 104 2HB ASN 104 19.425 2.017 -4.013 759 2HB ASN 104 1HB ASN 104 18.462 3.464 -3.741 760 1HD2 ASN 104 1HD2 ASN 104 18.656 4.106 -5.855 761 2HD2 ASN 104 2HD2 ASN 104 20.131 4.746 -6.501 762 H ASP 105 H ASP 105 19.815 4.408 -0.108 763 HA ASP 105 HA ASP 105 17.584 2.972 0.953 764 1HB ASP 105 2HB ASP 105 19.181 4.052 2.464 765 2HB ASP 105 1HB ASP 105 18.763 5.631 1.804 766 H ASP 106 H ASP 106 15.904 3.053 -0.442 767 HA ASP 106 HA ASP 106 15.044 5.625 -1.490 768 1HB ASP 106 2HB ASP 106 15.133 3.183 -2.655 769 2HB ASP 106 1HB ASP 106 13.467 3.188 -2.083 770 H LYS 107 H LYS 107 13.889 6.786 -0.205 771 HA LYS 107 HA LYS 107 13.099 6.323 2.274 772 1HB LYS 107 2HB LYS 107 12.929 8.439 0.719 773 2HB LYS 107 1HB LYS 107 11.223 8.015 0.713 774 1HG LYS 107 2HG LYS 107 11.045 8.268 3.043 775 2HG LYS 107 1HG LYS 107 12.798 8.323 3.245 776 1HD LYS 107 2HD LYS 107 12.680 10.418 1.745 777 2HD LYS 107 1HD LYS 107 10.959 10.412 2.134 778 1HE LYS 107 2HE LYS 107 12.151 11.855 3.668 779 2HE LYS 107 1HE LYS 107 11.522 10.451 4.529 780 1HZ LYS 107 1HZ LYS 107 14.319 11.015 3.738 781 2HZ LYS 107 2HZ LYS 107 13.811 9.452 4.146 782 3HZ LYS 107 3HZ LYS 107 13.702 10.699 5.288 783 H CYS 108 H CYS 108 10.331 6.491 -0.023 784 HA CYS 108 HA CYS 108 8.885 4.727 1.782 785 1HB CYS 108 2HB CYS 108 7.900 6.828 0.825 786 2HB CYS 108 1HB CYS 108 7.923 6.069 -0.754 787 H MET 109 H MET 109 10.905 4.224 -0.832 788 HA MET 109 HA MET 109 9.179 2.411 -2.256 789 1HB MET 109 2HB MET 109 11.434 4.000 -2.918 790 2HB MET 109 1HB MET 109 11.769 2.331 -3.361 791 1HG MET 109 2HG MET 109 9.333 3.878 -4.177 792 2HG MET 109 1HG MET 109 10.763 3.626 -5.171 793 1HE MET 109 1HE MET 109 11.582 0.661 -4.543 794 2HE MET 109 2HE MET 109 11.487 1.307 -6.180 795 3HE MET 109 3HE MET 109 10.698 -0.220 -5.790 796 H LYS 110 H LYS 110 11.664 2.124 0.082 797 HA LYS 110 HA LYS 110 12.991 -0.197 -0.734 798 1HB LYS 110 2HB LYS 110 13.589 -0.611 1.584 799 2HB LYS 110 1HB LYS 110 13.853 1.069 1.160 800 1HG LYS 110 2HG LYS 110 11.259 0.490 2.393 801 2HG LYS 110 1HG LYS 110 12.651 0.131 3.413 802 1HD LYS 110 2HD LYS 110 11.880 2.747 2.163 803 2HD LYS 110 1HD LYS 110 12.026 2.358 3.877 804 1HE LYS 110 2HE LYS 110 14.279 2.523 1.876 805 2HE LYS 110 1HE LYS 110 13.926 3.683 3.154 806 1HZ LYS 110 1HZ LYS 110 14.383 1.930 4.786 807 2HZ LYS 110 2HZ LYS 110 15.723 2.246 3.802 808 3HZ LYS 110 3HZ LYS 110 14.786 0.856 3.535 809 H THR 111 H THR 111 10.220 0.148 1.319 810 HA THR 111 HA THR 111 9.612 -2.439 1.907 811 HB THR 111 HB THR 111 8.527 0.076 2.215 812 HG1 THR 111 1HG THR 111 7.199 -2.243 3.152 813 1HG2 THR 111 1HG2 THR 111 6.935 -0.162 0.360 814 2HG2 THR 111 2HG2 THR 111 6.061 -0.317 1.888 815 3HG2 THR 111 3HG2 THR 111 6.454 -1.756 0.951 816 H ILE 112 H ILE 112 9.580 -1.100 -1.274 817 HA ILE 112 HA ILE 112 7.612 -3.054 -2.182 818 HB ILE 112 HB ILE 112 8.845 -0.693 -3.446 819 1HG1 ILE 112 2HG1 ILE 112 6.507 -0.362 -4.242 820 2HG1 ILE 112 1HG1 ILE 112 6.057 -1.817 -3.361 821 1HG2 ILE 112 1HG2 ILE 112 7.812 -3.061 -4.953 822 2HG2 ILE 112 2HG2 ILE 112 9.409 -2.327 -5.075 823 3HG2 ILE 112 3HG2 ILE 112 7.991 -1.460 -5.667 824 1HD1 ILE 112 1HD1 ILE 112 7.369 0.490 -1.994 825 2HD1 ILE 112 2HD1 ILE 112 6.417 -0.816 -1.293 826 3HD1 ILE 112 3HD1 ILE 112 5.627 0.433 -2.256 827 H ASP 113 H ASP 113 11.030 -2.170 -2.426 828 HA ASP 113 HA ASP 113 11.848 -4.237 -4.133 829 1HB ASP 113 2HB ASP 113 13.320 -2.331 -3.343 830 2HB ASP 113 1HB ASP 113 13.472 -3.156 -1.803 831 H VAL 114 H VAL 114 11.188 -4.199 -0.663 832 HA VAL 114 HA VAL 114 12.230 -6.840 -0.307 833 HB VAL 114 HB VAL 114 11.830 -6.554 1.981 834 1HG1 VAL 114 1HG1 VAL 114 13.571 -5.148 0.794 835 2HG1 VAL 114 2HG1 VAL 114 13.109 -4.631 2.416 836 3HG1 VAL 114 3HG1 VAL 114 12.465 -3.790 1.006 837 1HG2 VAL 114 1HG2 VAL 114 9.574 -5.756 1.892 838 2HG2 VAL 114 2HG2 VAL 114 10.101 -4.192 1.297 839 3HG2 VAL 114 3HG2 VAL 114 10.539 -4.721 2.926 840 H ALA 115 H ALA 115 9.098 -5.267 -0.575 841 HA ALA 115 HA ALA 115 7.409 -7.423 -0.077 842 1HB ALA 115 1HB ALA 115 6.715 -5.094 -0.451 843 2HB ALA 115 2HB ALA 115 5.745 -6.268 -1.328 844 3HB ALA 115 3HB ALA 115 6.972 -5.320 -2.174 845 H MET 116 H MET 116 9.034 -6.445 -3.073 846 HA MET 116 HA MET 116 7.853 -8.558 -4.515 847 1HB MET 116 2HB MET 116 9.462 -8.139 -6.332 848 2HB MET 116 1HB MET 116 8.538 -6.740 -5.839 849 1HG MET 116 2HG MET 116 10.484 -5.845 -4.688 850 2HG MET 116 1HG MET 116 11.414 -7.279 -5.137 851 1HE MET 116 1HE MET 116 12.168 -4.163 -5.771 852 2HE MET 116 2HE MET 116 12.836 -4.346 -7.393 853 3HE MET 116 3HE MET 116 13.232 -5.521 -6.139 854 H CYS 117 H CYS 117 10.609 -8.595 -2.379 855 HA CYS 117 HA CYS 117 11.696 -11.058 -3.246 856 1HB CYS 117 2HB CYS 117 11.599 -10.457 -0.344 857 2HB CYS 117 1HB CYS 117 12.914 -11.014 -1.341 858 H PHE 118 H PHE 118 8.943 -10.100 -1.417 859 HA PHE 118 HA PHE 118 8.445 -12.681 -0.308 860 1HB PHE 118 2HB PHE 118 7.572 -10.799 0.873 861 2HB PHE 118 1HB PHE 118 6.656 -10.256 -0.526 862 HD1 PHE 118 1HD PHE 118 4.399 -10.776 -0.631 863 HD2 PHE 118 2HD PHE 118 6.957 -13.191 1.774 864 HE1 PHE 118 1HE PHE 118 2.450 -12.032 0.180 865 HE2 PHE 118 2HE PHE 118 5.008 -14.448 2.583 866 HZ PHE 118 HZ PHE 118 2.752 -13.869 1.789 867 H LYS 119 H LYS 119 6.990 -10.976 -3.149 868 HA LYS 119 HA LYS 119 5.388 -13.294 -3.709 869 1HB LYS 119 2HB LYS 119 4.422 -12.182 -5.407 870 2HB LYS 119 1HB LYS 119 5.130 -10.791 -4.629 871 1HG LYS 119 2HG LYS 119 6.665 -12.221 -6.747 872 2HG LYS 119 1HG LYS 119 5.334 -11.160 -7.205 873 1HD LYS 119 2HD LYS 119 6.392 -9.298 -6.094 874 2HD LYS 119 1HD LYS 119 7.677 -10.350 -5.496 875 1HE LYS 119 2HE LYS 119 8.449 -9.100 -7.427 876 2HE LYS 119 1HE LYS 119 8.356 -10.819 -7.800 877 1HZ LYS 119 1HZ LYS 119 6.284 -10.445 -8.964 878 2HZ LYS 119 2HZ LYS 119 7.483 -9.425 -9.592 879 3HZ LYS 119 3HZ LYS 119 6.302 -8.799 -8.551 880 H LYS 120 H LYS 120 8.685 -12.421 -4.442 881 HA LYS 120 HA LYS 120 9.274 -14.348 -6.387 882 1HB LYS 120 2HB LYS 120 10.795 -12.853 -4.413 883 2HB LYS 120 1HB LYS 120 11.411 -14.488 -4.586 884 1HG LYS 120 2HG LYS 120 12.636 -13.533 -6.217 885 2HG LYS 120 1HG LYS 120 11.185 -13.838 -7.173 886 1HD LYS 120 2HD LYS 120 11.819 -11.591 -7.597 887 2HD LYS 120 1HD LYS 120 10.414 -11.527 -6.530 888 1HE LYS 120 2HE LYS 120 11.852 -9.975 -5.569 889 2HE LYS 120 1HE LYS 120 12.141 -11.434 -4.623 890 1HZ LYS 120 1HZ LYS 120 13.846 -10.430 -6.833 891 2HZ LYS 120 2HZ LYS 120 14.083 -11.902 -6.032 892 3HZ LYS 120 3HZ LYS 120 14.237 -10.440 -5.184 893 H GLU 121 H GLU 121 9.257 -14.616 -2.852 894 HA GLU 121 HA GLU 121 9.653 -17.358 -2.606 895 1HB GLU 121 2HB GLU 121 8.131 -15.425 -0.868 896 2HB GLU 121 1HB GLU 121 8.365 -17.110 -0.426 897 1HG GLU 121 2HG GLU 121 10.544 -15.090 -0.907 898 2HG GLU 121 1HG GLU 121 9.992 -15.678 0.657 899 H ILE 122 H ILE 122 6.457 -15.665 -2.675 900 HA ILE 122 HA ILE 122 4.898 -17.942 -2.647 901 HB ILE 122 HB ILE 122 4.406 -15.235 -2.759 902 1HG1 ILE 122 2HG1 ILE 122 3.145 -17.099 -1.644 903 2HG1 ILE 122 1HG1 ILE 122 2.162 -15.811 -2.322 904 1HG2 ILE 122 1HG2 ILE 122 2.924 -16.310 -5.135 905 2HG2 ILE 122 2HG2 ILE 122 4.489 -15.511 -5.321 906 3HG2 ILE 122 3HG2 ILE 122 3.133 -14.637 -4.607 907 1HD1 ILE 122 1HD1 ILE 122 1.735 -17.227 -4.291 908 2HD1 ILE 122 2HD1 ILE 122 1.135 -17.927 -2.786 909 3HD1 ILE 122 3HD1 ILE 122 2.628 -18.532 -3.510 910 H HIS 123 H HIS 123 6.508 -16.377 -5.401 911 HA HIS 123 HA HIS 123 5.395 -18.112 -7.365 912 1HB HIS 123 2HB HIS 123 7.621 -16.128 -7.339 913 2HB HIS 123 1HB HIS 123 7.524 -17.279 -8.669 914 HD1 HIS 123 1HD HIS 123 6.745 -15.777 -10.529 915 HD2 HIS 123 2HD HIS 123 4.415 -15.422 -7.100 916 HE1 HIS 123 1HE HIS 123 4.806 -14.312 -11.171 917 HE2 HIS 123 2HE HIS 123 3.480 -13.999 -9.053 918 H LYS 124 H LYS 124 7.991 -18.552 -5.103 919 HA LYS 124 HA LYS 124 9.197 -20.717 -6.530 920 1HB LYS 124 2HB LYS 124 10.520 -19.475 -4.929 921 2HB LYS 124 1HB LYS 124 9.375 -19.829 -3.644 922 1HG LYS 124 2HG LYS 124 11.350 -21.202 -3.421 923 2HG LYS 124 1HG LYS 124 9.947 -22.204 -3.797 924 1HD LYS 124 2HD LYS 124 11.671 -23.033 -5.164 925 2HD LYS 124 1HD LYS 124 10.672 -22.028 -6.221 926 1HE LYS 124 2HE LYS 124 12.243 -20.242 -6.142 927 2HE LYS 124 1HE LYS 124 13.164 -21.027 -4.859 928 1HZ LYS 124 1HZ LYS 124 14.261 -21.285 -6.983 929 2HZ LYS 124 2HZ LYS 124 12.881 -22.012 -7.651 930 3HZ LYS 124 3HZ LYS 124 13.736 -22.795 -6.414 931 H LEU 125 H LEU 125 6.708 -20.349 -4.080 932 HA LEU 125 HA LEU 125 6.462 -23.126 -3.505 933 1HB LEU 125 2HB LEU 125 4.473 -20.901 -3.085 934 2HB LEU 125 1HB LEU 125 4.383 -22.496 -2.363 935 HG LEU 125 HG LEU 125 6.519 -20.427 -1.842 936 1HD1 LEU 125 1HD1 LEU 125 4.389 -19.879 -0.805 937 2HD1 LEU 125 2HD1 LEU 125 5.569 -20.367 0.412 938 3HD1 LEU 125 3HD1 LEU 125 4.305 -21.490 -0.093 939 1HD2 LEU 125 1HD2 LEU 125 6.154 -23.194 -0.700 940 2HD2 LEU 125 2HD2 LEU 125 7.317 -21.999 -0.128 941 3HD2 LEU 125 3HD2 LEU 125 7.460 -22.659 -1.756 942 H ASN 126 H ASN 126 4.647 -20.970 -5.681 943 HA ASN 126 HA ASN 126 3.285 -21.342 -7.431 944 1HB ASN 126 2HB ASN 126 4.831 -23.929 -7.576 945 2HB ASN 126 1HB ASN 126 3.731 -23.363 -8.825 946 1HD2 ASN 126 1HD2 ASN 126 6.847 -23.108 -7.447 947 2HD2 ASN 126 2HD2 ASN 126 7.488 -21.954 -8.564 948 H TRP 127 H TRP 127 3.432 -24.750 -6.746 949 HA TRP 127 HA TRP 127 0.728 -25.156 -7.287 950 1HB TRP 127 2HB TRP 127 2.274 -27.141 -5.681 951 2HB TRP 127 1HB TRP 127 1.235 -27.393 -7.086 952 HD1 TRP 127 HD TRP 127 2.329 -26.454 -9.495 953 HE1 TRP 127 1HE TRP 127 4.772 -26.542 -10.287 954 HE3 TRP 127 3HE TRP 127 4.618 -27.217 -4.988 955 HZ2 TRP 127 2HZ TRP 127 7.333 -26.909 -9.155 956 HZ3 TRP 127 3HZ TRP 127 7.070 -27.427 -4.931 957 HH2 TRP 127 HH TRP 127 8.398 -27.276 -6.974 958 H VAL 128 H VAL 128 -0.752 -24.171 -6.032 959 HA VAL 128 HA VAL 128 -0.960 -25.197 -3.287 960 HB VAL 128 HB VAL 128 -2.375 -23.135 -2.803 961 1HG1 VAL 128 1HG1 VAL 128 0.557 -22.748 -3.403 962 2HG1 VAL 128 2HG1 VAL 128 -0.125 -23.402 -1.914 963 3HG1 VAL 128 3HG1 VAL 128 -0.419 -21.720 -2.355 964 1HG2 VAL 128 1HG2 VAL 128 -1.024 -22.127 -5.312 965 2HG2 VAL 128 2HG2 VAL 128 -1.953 -21.148 -4.176 966 3HG2 VAL 128 3HG2 VAL 128 -2.753 -22.412 -5.108 967 HA PRO 129 HA PRO 129 -4.191 -27.247 -5.639 968 1HB PRO 129 2HB PRO 129 -4.984 -28.894 -3.583 969 2HB PRO 129 1HB PRO 129 -3.641 -29.228 -4.681 970 1HG PRO 129 2HG PRO 129 -3.598 -28.100 -1.914 971 2HG PRO 129 1HG PRO 129 -2.498 -29.268 -2.668 972 1HD PRO 129 2HD PRO 129 -1.838 -26.674 -2.358 973 2HD PRO 129 1HD PRO 129 -1.297 -27.620 -3.760 974 H ASN 130 H ASN 130 -5.462 -27.493 -2.387 975 HA ASN 130 HA ASN 130 -7.689 -25.757 -3.206 976 1HB ASN 130 2HB ASN 130 -8.989 -27.003 -1.421 977 2HB ASN 130 1HB ASN 130 -8.527 -27.951 -2.830 978 1HD2 ASN 130 1HD2 ASN 130 -7.025 -29.574 -2.627 979 2HD2 ASN 130 2HD2 ASN 130 -6.505 -30.174 -1.086 980 H MET 131 H MET 131 -5.149 -24.940 -2.047 981 HA MET 131 HA MET 131 -5.712 -24.091 0.652 982 1HB MET 131 2HB MET 131 -3.481 -23.376 -1.260 983 2HB MET 131 1HB MET 131 -3.569 -22.832 0.410 984 1HG MET 131 2HG MET 131 -3.448 -25.134 1.182 985 2HG MET 131 1HG MET 131 -3.402 -25.702 -0.486 986 1HE MET 131 1HE MET 131 -0.069 -23.134 1.411 987 2HE MET 131 2HE MET 131 -1.537 -23.610 2.264 988 3HE MET 131 3HE MET 131 -1.631 -22.485 0.910 989 H ASP 132 H ASP 132 -7.786 -23.264 -0.633 990 HA ASP 132 HA ASP 132 -7.555 -20.371 -0.654 991 1HB ASP 132 2HB ASP 132 -7.232 -20.802 -2.997 992 2HB ASP 132 1HB ASP 132 -8.553 -21.966 -3.024 993 H LEU 133 H LEU 133 -8.902 -20.050 1.004 994 HA LEU 133 HA LEU 133 -11.368 -21.503 1.277 995 1HB LEU 133 2HB LEU 133 -10.112 -20.738 3.242 996 2HB LEU 133 1HB LEU 133 -10.347 -19.072 2.751 997 HG LEU 133 HG LEU 133 -12.793 -19.360 3.047 998 1HD1 LEU 133 1HD1 LEU 133 -12.917 -21.771 2.695 999 2HD1 LEU 133 2HD1 LEU 133 -13.631 -21.311 4.239 1000 3HD1 LEU 133 3HD1 LEU 133 -12.027 -22.039 4.194 1001 1HD2 LEU 133 1HD2 LEU 133 -11.438 -18.405 4.826 1002 2HD2 LEU 133 2HD2 LEU 133 -11.106 -20.019 5.456 1003 3HD2 LEU 133 3HD2 LEU 133 -12.748 -19.380 5.493 1004 H VAL 134 H VAL 134 -12.407 -21.050 -0.682 1005 HA VAL 134 HA VAL 134 -13.067 -18.396 -1.484 1006 HB VAL 134 HB VAL 134 -12.961 -20.194 -3.124 1007 1HG1 VAL 134 1HG1 VAL 134 -14.670 -21.946 -3.218 1008 2HG1 VAL 134 2HG1 VAL 134 -15.333 -21.375 -1.686 1009 3HG1 VAL 134 3HG1 VAL 134 -13.703 -22.047 -1.745 1010 1HG2 VAL 134 1HG2 VAL 134 -15.755 -19.094 -2.837 1011 2HG2 VAL 134 2HG2 VAL 134 -15.074 -19.795 -4.306 1012 3HG2 VAL 134 3HG2 VAL 134 -14.399 -18.306 -3.643 1013 H ILE 135 H ILE 135 -14.972 -17.266 -1.216 1014 HA ILE 135 HA ILE 135 -16.739 -18.294 0.901 1015 HB ILE 135 HB ILE 135 -16.062 -15.435 0.177 1016 1HG1 ILE 135 2HG1 ILE 135 -14.345 -16.461 1.544 1017 2HG1 ILE 135 1HG1 ILE 135 -15.268 -15.350 2.544 1018 1HG2 ILE 135 1HG2 ILE 135 -18.052 -16.432 2.213 1019 2HG2 ILE 135 2HG2 ILE 135 -18.430 -15.591 0.710 1020 3HG2 ILE 135 3HG2 ILE 135 -17.555 -14.754 1.992 1021 1HD1 ILE 135 1HD1 ILE 135 -15.586 -18.341 2.479 1022 2HD1 ILE 135 2HD1 ILE 135 -16.508 -17.226 3.489 1023 3HD1 ILE 135 3HD1 ILE 135 -14.769 -17.404 3.731 1024 H GLY 136 H GLY 136 -18.794 -18.675 0.406 1025 1HA GLY 136 2HA GLY 136 -19.716 -17.864 -2.272 1026 2HA GLY 136 1HA GLY 136 -20.341 -19.221 -1.344 1027 H GLU 137 H GLU 137 -21.470 -16.629 -2.575 1028 HA GLU 137 HA GLU 137 -22.472 -15.165 -0.307 1029 1HB GLU 137 2HB GLU 137 -23.183 -15.061 -3.240 1030 2HB GLU 137 1HB GLU 137 -23.839 -13.972 -2.028 1031 1HG GLU 137 2HG GLU 137 -21.617 -13.111 -1.566 1032 2HG GLU 137 1HG GLU 137 -20.924 -14.242 -2.731 1033 H VAL 138 H VAL 138 -24.422 -15.298 0.657 1034 HA VAL 138 HA VAL 138 -26.130 -17.558 -0.072 1035 HB VAL 138 HB VAL 138 -26.276 -15.752 2.350 1036 1HG1 VAL 138 1HG1 VAL 138 -27.670 -18.358 1.742 1037 2HG1 VAL 138 2HG1 VAL 138 -28.421 -16.763 1.816 1038 3HG1 VAL 138 3HG1 VAL 138 -27.745 -17.488 3.274 1039 1HG2 VAL 138 1HG2 VAL 138 -25.113 -18.518 2.053 1040 2HG2 VAL 138 2HG2 VAL 138 -25.313 -17.649 3.575 1041 3HG2 VAL 138 3HG2 VAL 138 -24.213 -17.028 2.343 1042 H LEU 139 H LEU 139 -28.125 -17.294 -0.921 1043 HA LEU 139 HA LEU 139 -28.751 -14.603 -1.828 1044 1HB LEU 139 2HB LEU 139 -30.162 -15.601 -3.466 1045 2HB LEU 139 1HB LEU 139 -28.647 -16.476 -3.450 1046 HG LEU 139 HG LEU 139 -31.104 -17.481 -2.019 1047 1HD1 LEU 139 1HD1 LEU 139 -31.623 -17.215 -4.388 1048 2HD1 LEU 139 2HD1 LEU 139 -31.494 -18.918 -3.950 1049 3HD1 LEU 139 3HD1 LEU 139 -30.175 -18.127 -4.813 1050 1HD2 LEU 139 1HD2 LEU 139 -28.595 -18.858 -2.975 1051 2HD2 LEU 139 2HD2 LEU 139 -29.962 -19.639 -2.181 1052 3HD2 LEU 139 3HD2 LEU 139 -28.986 -18.461 -1.302 1053 H ALA 140 H ALA 140 -30.673 -13.578 -1.517 1054 HA ALA 140 HA ALA 140 -32.536 -14.763 0.426 1055 1HB ALA 140 1HB ALA 140 -32.268 -11.904 -0.517 1056 2HB ALA 140 2HB ALA 140 -31.703 -12.545 1.026 1057 3HB ALA 140 3HB ALA 140 -33.431 -12.484 0.676 1058 H GLU 141 H GLU 141 -33.092 -12.361 -2.104 1059 HA GLU 141 HA GLU 141 -34.103 -12.416 -4.126 1060 1HB GLU 141 2HB GLU 141 -32.668 -14.498 -4.320 1061 2HB GLU 141 1HB GLU 141 -34.109 -15.419 -3.925 1062 1HG GLU 141 2HG GLU 141 -35.194 -14.752 -5.911 1063 2HG GLU 141 1HG GLU 141 -33.977 -13.518 -6.242 1064 H VAL 142 H VAL 142 -36.148 -12.724 -5.170 1065 HA VAL 142 HA VAL 142 -38.266 -13.972 -3.628 1066 HB VAL 142 HB VAL 142 -38.321 -11.766 -2.677 1067 1HG1 VAL 142 1HG1 VAL 142 -38.622 -9.741 -4.010 1068 2HG1 VAL 142 2HG1 VAL 142 -38.482 -10.692 -5.489 1069 3HG1 VAL 142 3HG1 VAL 142 -37.102 -10.550 -4.398 1070 1HG2 VAL 142 1HG2 VAL 142 -40.582 -11.041 -3.296 1071 2HG2 VAL 142 2HG2 VAL 142 -40.478 -12.791 -3.102 1072 3HG2 VAL 142 3HG2 VAL 142 -40.518 -12.084 -4.717 Start of MODEL 8 1 1H SER 1 1HT SER 1 -9.023 -18.736 0.790 2 2H SER 1 2HT SER 1 -8.522 -17.629 -0.389 3 3H SER 1 3HT SER 1 -10.033 -17.449 0.355 4 HA SER 1 HA SER 1 -9.019 -16.986 2.458 5 1HB SER 1 2HB SER 1 -6.357 -17.093 1.033 6 2HB SER 1 1HB SER 1 -6.656 -16.971 2.767 7 HG SER 1 HG SER 1 -6.148 -19.140 1.544 8 HA PRO 2 HA PRO 2 -9.152 -13.085 0.154 9 1HB PRO 2 2HB PRO 2 -11.138 -11.934 1.504 10 2HB PRO 2 1HB PRO 2 -11.449 -13.250 0.367 11 1HG PRO 2 2HG PRO 2 -11.380 -13.297 3.343 12 2HG PRO 2 1HG PRO 2 -12.416 -14.205 2.228 13 1HD PRO 2 2HD PRO 2 -10.081 -15.151 3.486 14 2HD PRO 2 1HD PRO 2 -10.936 -15.925 2.139 15 H GLU 3 H GLU 3 -7.896 -13.845 3.087 16 HA GLU 3 HA GLU 3 -7.844 -11.583 4.657 17 1HB GLU 3 2HB GLU 3 -5.714 -13.654 4.147 18 2HB GLU 3 1HB GLU 3 -5.494 -12.367 5.318 19 1HG GLU 3 2HG GLU 3 -6.208 -14.485 6.325 20 2HG GLU 3 1HG GLU 3 -7.333 -13.164 6.625 21 H ILE 4 H ILE 4 -4.944 -12.388 2.750 22 HA ILE 4 HA ILE 4 -4.444 -9.568 2.401 23 HB ILE 4 HB ILE 4 -2.800 -12.026 1.841 24 1HG1 ILE 4 2HG1 ILE 4 -2.970 -11.485 4.171 25 2HG1 ILE 4 1HG1 ILE 4 -1.360 -11.030 3.625 26 1HG2 ILE 4 1HG2 ILE 4 -2.255 -10.388 0.133 27 2HG2 ILE 4 2HG2 ILE 4 -0.925 -10.563 1.278 28 3HG2 ILE 4 3HG2 ILE 4 -1.992 -9.161 1.371 29 1HD1 ILE 4 1HD1 ILE 4 -2.459 -9.397 5.154 30 2HD1 ILE 4 2HD1 ILE 4 -3.643 -9.091 3.881 31 3HD1 ILE 4 3HD1 ILE 4 -1.939 -8.722 3.607 32 H MET 5 H MET 5 -5.897 -12.057 0.603 33 HA MET 5 HA MET 5 -5.145 -11.285 -2.018 34 1HB MET 5 2HB MET 5 -5.952 -13.520 -1.549 35 2HB MET 5 1HB MET 5 -7.479 -12.881 -0.959 36 1HG MET 5 2HG MET 5 -7.793 -13.790 -3.157 37 2HG MET 5 1HG MET 5 -7.952 -12.037 -3.237 38 1HE MET 5 1HE MET 5 -7.681 -12.106 -5.887 39 2HE MET 5 2HE MET 5 -7.561 -13.865 -5.799 40 3HE MET 5 3HE MET 5 -6.360 -12.943 -6.705 41 H LYS 6 H LYS 6 -7.741 -10.449 0.177 42 HA LYS 6 HA LYS 6 -8.774 -8.493 -1.745 43 1HB LYS 6 2HB LYS 6 -10.431 -9.961 -0.666 44 2HB LYS 6 1HB LYS 6 -9.882 -9.426 0.915 45 1HG LYS 6 2HG LYS 6 -10.628 -7.144 0.373 46 2HG LYS 6 1HG LYS 6 -11.234 -7.737 -1.178 47 1HD LYS 6 2HD LYS 6 -12.756 -9.241 -0.034 48 2HD LYS 6 1HD LYS 6 -12.117 -8.732 1.529 49 1HE LYS 6 2HE LYS 6 -12.885 -6.432 1.042 50 2HE LYS 6 1HE LYS 6 -13.605 -7.021 -0.456 51 1HZ LYS 6 1HZ LYS 6 -14.322 -7.947 2.275 52 2HZ LYS 6 2HZ LYS 6 -15.036 -8.469 0.828 53 3HZ LYS 6 3HZ LYS 6 -15.226 -6.865 1.336 54 H ASN 7 H ASN 7 -7.623 -6.677 -1.664 55 HA ASN 7 HA ASN 7 -5.937 -5.941 0.452 56 1HB ASN 7 2HB ASN 7 -5.623 -5.190 -1.881 57 2HB ASN 7 1HB ASN 7 -7.064 -4.188 -1.741 58 1HD2 ASN 7 1HD2 ASN 7 -4.498 -4.708 0.638 59 2HD2 ASN 7 2HD2 ASN 7 -3.984 -3.058 0.690 60 H LEU 8 H LEU 8 -6.575 -5.340 2.413 61 HA LEU 8 HA LEU 8 -9.156 -4.407 3.002 62 1HB LEU 8 2HB LEU 8 -8.412 -4.067 5.256 63 2HB LEU 8 1HB LEU 8 -7.762 -5.572 4.648 64 HG LEU 8 HG LEU 8 -6.140 -3.029 4.780 65 1HD1 LEU 8 1HD1 LEU 8 -5.149 -4.059 6.841 66 2HD1 LEU 8 2HD1 LEU 8 -6.469 -5.229 6.813 67 3HD1 LEU 8 3HD1 LEU 8 -6.817 -3.513 7.020 68 1HD2 LEU 8 1HD2 LEU 8 -4.242 -4.574 4.672 69 2HD2 LEU 8 2HD2 LEU 8 -5.282 -4.735 3.256 70 3HD2 LEU 8 3HD2 LEU 8 -5.356 -5.936 4.546 71 H SER 9 H SER 9 -6.288 -2.704 2.034 72 HA SER 9 HA SER 9 -7.001 -0.122 2.908 73 1HB SER 9 2HB SER 9 -5.513 -0.814 0.362 74 2HB SER 9 1HB SER 9 -5.423 0.695 1.269 75 HG SER 9 HG SER 9 -3.641 -0.598 1.756 76 H ASN 10 H ASN 10 -7.781 -1.970 0.011 77 HA ASN 10 HA ASN 10 -9.381 0.084 -1.188 78 1HB ASN 10 2HB ASN 10 -8.258 -1.643 -2.538 79 2HB ASN 10 1HB ASN 10 -9.228 -2.887 -1.762 80 1HD2 ASN 10 1HD2 ASN 10 -10.470 0.247 -2.736 81 2HD2 ASN 10 2HD2 ASN 10 -11.497 -0.348 -3.988 82 H ASN 11 H ASN 11 -9.911 -2.585 0.988 83 HA ASN 11 HA ASN 11 -12.737 -2.695 0.793 84 1HB ASN 11 2HB ASN 11 -11.412 -4.526 1.773 85 2HB ASN 11 1HB ASN 11 -10.934 -3.474 3.101 86 1HD2 ASN 11 1HD2 ASN 11 -12.369 -3.068 4.749 87 2HD2 ASN 11 2HD2 ASN 11 -13.868 -3.914 4.928 88 H PHE 12 H PHE 12 -10.639 -1.244 3.298 89 HA PHE 12 HA PHE 12 -12.551 0.352 4.519 90 1HB PHE 12 2HB PHE 12 -9.599 0.759 4.119 91 2HB PHE 12 1HB PHE 12 -10.579 1.942 4.979 92 HD1 PHE 12 1HD PHE 12 -8.557 -0.881 5.351 93 HD2 PHE 12 2HD PHE 12 -12.120 0.889 6.864 94 HE1 PHE 12 1HE PHE 12 -8.330 -2.196 7.417 95 HE2 PHE 12 2HE PHE 12 -11.898 -0.424 8.932 96 HZ PHE 12 HZ PHE 12 -10.001 -1.969 9.210 97 H GLY 13 H GLY 13 -10.151 1.919 2.323 98 1HA GLY 13 2HA GLY 13 -10.392 3.755 0.979 99 2HA GLY 13 1HA GLY 13 -11.846 2.942 0.427 100 H LYS 14 H LYS 14 -11.205 4.318 3.639 101 HA LYS 14 HA LYS 14 -13.754 5.462 3.837 102 1HB LYS 14 2HB LYS 14 -11.256 6.180 5.376 103 2HB LYS 14 1HB LYS 14 -12.904 6.567 5.850 104 1HG LYS 14 2HG LYS 14 -11.820 3.778 5.529 105 2HG LYS 14 1HG LYS 14 -11.957 4.637 7.062 106 1HD LYS 14 2HD LYS 14 -14.367 4.321 5.323 107 2HD LYS 14 1HD LYS 14 -13.820 2.962 6.306 108 1HE LYS 14 2HE LYS 14 -15.479 4.158 7.542 109 2HE LYS 14 1HE LYS 14 -13.918 4.448 8.299 110 1HZ LYS 14 1HZ LYS 14 -15.323 6.320 6.464 111 2HZ LYS 14 2HZ LYS 14 -13.832 6.605 7.221 112 3HZ LYS 14 3HZ LYS 14 -15.237 6.463 8.151 113 H ALA 15 H ALA 15 -10.638 6.899 2.943 114 HA ALA 15 HA ALA 15 -12.078 9.162 1.804 115 1HB ALA 15 1HB ALA 15 -10.756 10.812 2.909 116 2HB ALA 15 2HB ALA 15 -9.768 9.579 3.689 117 3HB ALA 15 3HB ALA 15 -11.465 9.766 4.140 118 H MET 16 H MET 16 -11.488 8.931 -0.247 119 HA MET 16 HA MET 16 -8.907 7.983 -1.054 120 1HB MET 16 2HB MET 16 -10.881 7.490 -2.386 121 2HB MET 16 1HB MET 16 -11.183 9.204 -2.625 122 1HG MET 16 2HG MET 16 -9.049 9.370 -3.852 123 2HG MET 16 1HG MET 16 -8.848 7.627 -3.679 124 1HE MET 16 1HE MET 16 -11.832 6.238 -5.788 125 2HE MET 16 2HE MET 16 -11.802 6.547 -4.052 126 3HE MET 16 3HE MET 16 -10.399 5.832 -4.844 127 H ASP 17 H ASP 17 -10.537 11.097 -0.955 128 HA ASP 17 HA ASP 17 -8.657 12.567 -2.439 129 1HB ASP 17 2HB ASP 17 -11.009 13.273 -1.943 130 2HB ASP 17 1HB ASP 17 -10.491 13.637 -0.299 131 H GLN 18 H GLN 18 -8.540 11.394 0.766 132 HA GLN 18 HA GLN 18 -6.718 13.511 1.606 133 1HB GLN 18 2HB GLN 18 -8.298 11.466 3.015 134 2HB GLN 18 1HB GLN 18 -6.725 11.815 3.721 135 1HG GLN 18 2HG GLN 18 -8.796 13.921 3.078 136 2HG GLN 18 1HG GLN 18 -8.596 13.166 4.661 137 1HE2 GLN 18 1HE2 GLN 18 -8.127 15.106 5.646 138 2HE2 GLN 18 2HE2 GLN 18 -6.620 15.929 5.407 139 H CYS 19 H CYS 19 -6.609 10.176 0.564 140 HA CYS 19 HA CYS 19 -3.845 9.844 1.188 141 1HB CYS 19 2HB CYS 19 -5.750 8.385 -0.607 142 2HB CYS 19 1HB CYS 19 -4.021 8.083 -0.742 143 H LYS 20 H LYS 20 -5.658 11.152 -1.509 144 HA LYS 20 HA LYS 20 -3.589 11.573 -3.338 145 1HB LYS 20 2HB LYS 20 -5.772 11.938 -4.097 146 2HB LYS 20 1HB LYS 20 -6.168 12.991 -2.756 147 1HG LYS 20 2HG LYS 20 -6.017 14.331 -4.702 148 2HG LYS 20 1HG LYS 20 -4.603 14.677 -3.711 149 1HD LYS 20 2HD LYS 20 -3.219 13.297 -5.137 150 2HD LYS 20 1HD LYS 20 -4.628 12.810 -6.088 151 1HE LYS 20 2HE LYS 20 -4.984 15.183 -6.698 152 2HE LYS 20 1HE LYS 20 -3.512 15.604 -5.826 153 1HZ LYS 20 1HZ LYS 20 -3.193 15.374 -8.243 154 2HZ LYS 20 2HZ LYS 20 -3.617 13.742 -8.127 155 3HZ LYS 20 3HZ LYS 20 -2.224 14.306 -7.347 156 H ASP 21 H ASP 21 -4.847 13.791 -0.857 157 HA ASP 21 HA ASP 21 -2.922 15.805 -1.457 158 1HB ASP 21 2HB ASP 21 -5.147 16.298 -0.484 159 2HB ASP 21 1HB ASP 21 -4.630 15.550 1.025 160 H GLU 22 H GLU 22 -3.147 13.397 1.146 161 HA GLU 22 HA GLU 22 -0.986 14.383 2.663 162 1HB GLU 22 2HB GLU 22 -2.618 12.958 3.661 163 2HB GLU 22 1HB GLU 22 -2.288 11.677 2.529 164 1HG GLU 22 2HG GLU 22 -1.384 11.195 4.726 165 2HG GLU 22 1HG GLU 22 -0.110 11.310 3.519 166 H LEU 23 H LEU 23 -1.113 11.947 0.077 167 HA LEU 23 HA LEU 23 1.716 11.381 0.328 168 1HB LEU 23 2HB LEU 23 -0.413 10.524 -1.597 169 2HB LEU 23 1HB LEU 23 1.274 10.246 -1.963 170 HG LEU 23 HG LEU 23 0.210 8.267 -1.040 171 1HD1 LEU 23 1HD1 LEU 23 1.840 7.743 0.666 172 2HD1 LEU 23 2HD1 LEU 23 2.199 9.456 0.884 173 3HD1 LEU 23 3HD1 LEU 23 2.601 8.658 -0.637 174 1HD2 LEU 23 1HD2 LEU 23 -1.329 9.750 0.405 175 2HD2 LEU 23 2HD2 LEU 23 -0.044 9.614 1.608 176 3HD2 LEU 23 3HD2 LEU 23 -0.845 8.163 1.003 177 H SER 24 H SER 24 -0.203 13.720 -1.159 178 HA SER 24 HA SER 24 0.040 15.225 -2.847 179 1HB SER 24 2HB SER 24 2.994 14.610 -2.573 180 2HB SER 24 1HB SER 24 2.297 16.029 -3.355 181 HG SER 24 HG SER 24 1.683 15.435 -0.673 182 H LEU 25 H LEU 25 -0.837 12.888 -3.600 183 HA LEU 25 HA LEU 25 0.819 11.226 -5.150 184 1HB LEU 25 2HB LEU 25 -2.122 11.517 -4.746 185 2HB LEU 25 1HB LEU 25 -1.539 10.472 -6.022 186 HG LEU 25 HG LEU 25 -0.818 10.151 -3.097 187 1HD1 LEU 25 1HD1 LEU 25 -3.111 9.327 -4.673 188 2HD1 LEU 25 2HD1 LEU 25 -2.903 9.393 -2.924 189 3HD1 LEU 25 3HD1 LEU 25 -2.315 7.999 -3.833 190 1HD2 LEU 25 1HD2 LEU 25 0.125 8.070 -3.726 191 2HD2 LEU 25 2HD2 LEU 25 0.820 9.298 -4.784 192 3HD2 LEU 25 3HD2 LEU 25 -0.452 8.235 -5.385 193 HA PRO 26 HA PRO 26 0.911 13.738 -8.883 194 1HB PRO 26 2HB PRO 26 1.958 11.252 -10.078 195 2HB PRO 26 1HB PRO 26 2.688 12.857 -10.018 196 1HG PRO 26 2HG PRO 26 3.619 10.820 -8.537 197 2HG PRO 26 1HG PRO 26 3.640 12.494 -7.953 198 1HD PRO 26 2HD PRO 26 1.778 10.277 -7.244 199 2HD PRO 26 1HD PRO 26 2.459 11.526 -6.226 200 H ASP 27 H ASP 27 -0.326 13.758 -10.794 201 HA ASP 27 HA ASP 27 -2.790 12.454 -10.613 202 1HB ASP 27 2HB ASP 27 -3.307 13.404 -12.781 203 2HB ASP 27 1HB ASP 27 -2.442 14.588 -11.810 204 H SER 28 H SER 28 0.107 11.642 -12.401 205 HA SER 28 HA SER 28 -1.030 9.572 -13.962 206 1HB SER 28 2HB SER 28 1.851 9.902 -13.090 207 2HB SER 28 1HB SER 28 1.273 8.950 -14.457 208 HG SER 28 HG SER 28 0.322 11.121 -15.126 209 H VAL 29 H VAL 29 0.515 9.671 -10.791 210 HA VAL 29 HA VAL 29 0.653 6.841 -10.532 211 HB VAL 29 HB VAL 29 0.896 8.959 -8.405 212 1HG1 VAL 29 1HG1 VAL 29 2.241 6.917 -7.390 213 2HG1 VAL 29 2HG1 VAL 29 1.116 5.993 -8.386 214 3HG1 VAL 29 3HG1 VAL 29 0.504 7.092 -7.149 215 1HG2 VAL 29 1HG2 VAL 29 2.972 7.487 -10.024 216 2HG2 VAL 29 2HG2 VAL 29 3.320 8.532 -8.648 217 3HG2 VAL 29 3HG2 VAL 29 2.594 9.208 -10.107 218 H VAL 30 H VAL 30 -1.468 9.327 -9.013 219 HA VAL 30 HA VAL 30 -2.905 7.519 -7.452 220 HB VAL 30 HB VAL 30 -2.917 9.992 -7.225 221 1HG1 VAL 30 1HG1 VAL 30 -4.992 10.919 -8.465 222 2HG1 VAL 30 2HG1 VAL 30 -4.551 9.729 -9.677 223 3HG1 VAL 30 3HG1 VAL 30 -3.401 10.984 -9.199 224 1HG2 VAL 30 1HG2 VAL 30 -5.218 10.083 -6.393 225 2HG2 VAL 30 2HG2 VAL 30 -4.399 8.594 -5.926 226 3HG2 VAL 30 3HG2 VAL 30 -5.574 8.578 -7.241 227 H ALA 31 H ALA 31 -3.346 8.553 -10.788 228 HA ALA 31 HA ALA 31 -5.801 7.252 -11.281 229 1HB ALA 31 1HB ALA 31 -3.563 7.838 -13.201 230 2HB ALA 31 2HB ALA 31 -4.822 8.983 -12.732 231 3HB ALA 31 3HB ALA 31 -5.245 7.521 -13.627 232 H ASP 32 H ASP 32 -2.438 6.227 -11.896 233 HA ASP 32 HA ASP 32 -3.225 3.703 -12.968 234 1HB ASP 32 2HB ASP 32 -1.083 4.891 -13.526 235 2HB ASP 32 1HB ASP 32 -0.493 4.458 -11.923 236 H LEU 33 H LEU 33 -2.456 4.875 -9.798 237 HA LEU 33 HA LEU 33 -2.250 2.482 -8.387 238 1HB LEU 33 2HB LEU 33 -3.674 5.028 -7.603 239 2HB LEU 33 1HB LEU 33 -3.523 3.660 -6.524 240 HG LEU 33 HG LEU 33 -1.480 5.651 -7.355 241 1HD1 LEU 33 1HD1 LEU 33 -2.565 5.799 -5.202 242 2HD1 LEU 33 2HD1 LEU 33 -0.846 5.448 -5.023 243 3HD1 LEU 33 3HD1 LEU 33 -2.035 4.164 -4.808 244 1HD2 LEU 33 1HD2 LEU 33 0.363 4.221 -6.939 245 2HD2 LEU 33 2HD2 LEU 33 -0.639 3.407 -8.138 246 3HD2 LEU 33 3HD2 LEU 33 -0.685 2.891 -6.451 247 H TYR 34 H TYR 34 -5.185 4.275 -9.283 248 HA TYR 34 HA TYR 34 -6.919 2.150 -8.441 249 1HB TYR 34 2HB TYR 34 -7.612 4.517 -10.183 250 2HB TYR 34 1HB TYR 34 -8.723 3.528 -9.237 251 HD1 TYR 34 1HD TYR 34 -8.023 6.631 -9.180 252 HD2 TYR 34 2HD TYR 34 -7.005 3.289 -6.753 253 HE1 TYR 34 1HE TYR 34 -7.652 8.135 -7.270 254 HE2 TYR 34 2HE TYR 34 -6.640 4.777 -4.836 255 HH TYR 34 HH TYR 34 -6.019 7.179 -4.498 256 H ASN 35 H ASN 35 -4.892 1.822 -10.864 257 HA ASN 35 HA ASN 35 -6.354 1.390 -13.211 258 1HB ASN 35 2HB ASN 35 -3.814 1.463 -12.884 259 2HB ASN 35 1HB ASN 35 -3.938 -0.216 -12.370 260 1HD2 ASN 35 1HD2 ASN 35 -2.554 0.969 -14.643 261 2HD2 ASN 35 2HD2 ASN 35 -3.196 0.175 -16.045 262 H PHE 36 H PHE 36 -7.612 -0.281 -13.909 263 HA PHE 36 HA PHE 36 -8.714 -1.929 -11.860 264 1HB PHE 36 2HB PHE 36 -10.070 -0.913 -13.654 265 2HB PHE 36 1HB PHE 36 -9.260 -1.939 -14.832 266 HD1 PHE 36 1HD PHE 36 -10.033 -4.102 -15.269 267 HD2 PHE 36 2HD PHE 36 -11.432 -2.015 -11.833 268 HE1 PHE 36 1HE PHE 36 -11.711 -5.860 -14.889 269 HE2 PHE 36 2HE PHE 36 -13.111 -3.770 -11.445 270 HZ PHE 36 HZ PHE 36 -13.252 -5.697 -12.973 271 H TRP 37 H TRP 37 -6.587 -2.563 -14.634 272 HA TRP 37 HA TRP 37 -6.624 -5.396 -13.945 273 1HB TRP 37 2HB TRP 37 -5.291 -5.772 -15.967 274 2HB TRP 37 1HB TRP 37 -6.772 -4.902 -16.324 275 HD1 TRP 37 HD TRP 37 -3.000 -4.588 -16.480 276 HE1 TRP 37 1HE TRP 37 -2.384 -2.455 -17.785 277 HE3 TRP 37 3HE TRP 37 -7.644 -2.478 -16.822 278 HZ2 TRP 37 2HZ TRP 37 -3.690 -0.185 -18.818 279 HZ3 TRP 37 3HZ TRP 37 -7.874 -0.326 -17.990 280 HH2 TRP 37 HH TRP 37 -5.936 0.795 -18.965 281 H LYS 38 H LYS 38 -5.039 -6.431 -12.926 282 HA LYS 38 HA LYS 38 -2.958 -4.772 -11.768 283 1HB LYS 38 2HB LYS 38 -2.537 -6.903 -10.394 284 2HB LYS 38 1HB LYS 38 -4.028 -6.019 -10.109 285 1HG LYS 38 2HG LYS 38 -4.745 -7.814 -12.062 286 2HG LYS 38 1HG LYS 38 -3.614 -8.733 -11.066 287 1HD LYS 38 2HD LYS 38 -5.894 -9.009 -10.248 288 2HD LYS 38 1HD LYS 38 -4.915 -8.143 -9.063 289 1HE LYS 38 2HE LYS 38 -5.857 -6.028 -9.796 290 2HE LYS 38 1HE LYS 38 -6.785 -6.848 -11.049 291 1HZ LYS 38 1HZ LYS 38 -7.963 -8.057 -9.281 292 2HZ LYS 38 2HZ LYS 38 -8.187 -6.380 -9.177 293 3HZ LYS 38 3HZ LYS 38 -7.123 -7.160 -8.112 294 H ASP 39 H ASP 39 -2.009 -4.591 -13.898 295 HA ASP 39 HA ASP 39 -0.868 -6.411 -15.501 296 1HB ASP 39 2HB ASP 39 -0.701 -4.027 -15.862 297 2HB ASP 39 1HB ASP 39 0.450 -3.879 -14.540 298 H ASP 40 H ASP 40 0.489 -5.769 -12.243 299 HA ASP 40 HA ASP 40 2.164 -6.725 -11.090 300 1HB ASP 40 2HB ASP 40 1.154 -8.879 -11.777 301 2HB ASP 40 1HB ASP 40 2.122 -8.860 -13.246 302 H TYR 41 H TYR 41 2.813 -4.642 -12.532 303 HA TYR 41 HA TYR 41 5.307 -5.200 -13.907 304 1HB TYR 41 2HB TYR 41 5.398 -2.811 -14.383 305 2HB TYR 41 1HB TYR 41 3.851 -3.477 -14.866 306 HD1 TYR 41 1HD TYR 41 3.821 -0.745 -14.871 307 HD2 TYR 41 2HD TYR 41 3.551 -3.229 -11.430 308 HE1 TYR 41 1HE TYR 41 2.677 1.062 -13.661 309 HE2 TYR 41 2HE TYR 41 2.399 -1.432 -10.213 310 HH TYR 41 HH TYR 41 1.249 1.424 -11.799 311 H VAL 42 H VAL 42 7.097 -3.452 -13.248 312 HA VAL 42 HA VAL 42 7.697 -4.048 -10.483 313 HB VAL 42 HB VAL 42 9.320 -2.392 -12.426 314 1HG1 VAL 42 1HG1 VAL 42 9.907 -2.115 -10.061 315 2HG1 VAL 42 2HG1 VAL 42 11.193 -2.914 -10.964 316 3HG1 VAL 42 3HG1 VAL 42 10.133 -3.859 -9.918 317 1HG2 VAL 42 1HG2 VAL 42 8.944 -4.600 -13.378 318 2HG2 VAL 42 2HG2 VAL 42 9.493 -5.355 -11.882 319 3HG2 VAL 42 3HG2 VAL 42 10.623 -4.423 -12.867 320 H MET 43 H MET 43 7.016 -2.767 -8.921 321 HA MET 43 HA MET 43 5.792 -0.261 -9.385 322 1HB MET 43 2HB MET 43 5.149 -1.765 -7.554 323 2HB MET 43 1HB MET 43 6.720 -1.535 -6.806 324 1HG MET 43 2HG MET 43 6.231 0.611 -6.124 325 2HG MET 43 1HG MET 43 4.951 0.812 -7.323 326 1HE MET 43 1HE MET 43 4.484 -1.954 -3.648 327 2HE MET 43 2HE MET 43 5.965 -1.058 -3.981 328 3HE MET 43 3HE MET 43 5.458 -2.355 -5.063 329 H THR 44 H THR 44 7.160 1.168 -10.334 330 HA THR 44 HA THR 44 9.800 1.615 -9.175 331 HB THR 44 HB THR 44 10.272 2.892 -11.210 332 HG1 THR 44 1HG THR 44 8.018 2.238 -12.599 333 1HG2 THR 44 1HG2 THR 44 10.377 0.334 -11.170 334 2HG2 THR 44 2HG2 THR 44 10.304 1.100 -12.753 335 3HG2 THR 44 3HG2 THR 44 8.858 0.372 -12.058 336 H ASP 45 H ASP 45 6.722 2.918 -8.939 337 HA ASP 45 HA ASP 45 7.671 5.634 -8.415 338 1HB ASP 45 2HB ASP 45 5.711 5.651 -9.737 339 2HB ASP 45 1HB ASP 45 4.915 4.484 -8.693 340 H ARG 46 H ARG 46 7.683 6.580 -6.488 341 HA ARG 46 HA ARG 46 7.793 4.762 -4.247 342 1HB ARG 46 2HB ARG 46 8.233 7.777 -4.225 343 2HB ARG 46 1HB ARG 46 8.579 6.671 -2.912 344 1HG ARG 46 2HG ARG 46 10.621 7.269 -3.986 345 2HG ARG 46 1HG ARG 46 10.298 5.575 -4.350 346 1HD ARG 46 2HD ARG 46 9.431 6.215 -6.532 347 2HD ARG 46 1HD ARG 46 9.713 7.914 -6.163 348 HE ARG 46 HE ARG 46 12.127 6.516 -5.881 349 1HH1 ARG 46 1HH1 ARG 46 9.866 7.521 -8.352 350 2HH1 ARG 46 2HH1 ARG 46 11.068 7.584 -9.611 351 1HH2 ARG 46 1HH2 ARG 46 13.715 6.602 -7.510 352 2HH2 ARG 46 2HH2 ARG 46 13.272 7.072 -9.130 353 H LEU 47 H LEU 47 5.464 6.808 -5.686 354 HA LEU 47 HA LEU 47 4.063 7.380 -3.225 355 1HB LEU 47 2HB LEU 47 3.492 7.986 -6.122 356 2HB LEU 47 1HB LEU 47 2.267 8.192 -4.886 357 HG LEU 47 HG LEU 47 3.269 10.311 -5.300 358 1HD1 LEU 47 1HD1 LEU 47 2.784 9.575 -2.954 359 2HD1 LEU 47 2HD1 LEU 47 3.907 10.928 -3.121 360 3HD1 LEU 47 3HD1 LEU 47 4.520 9.311 -2.763 361 1HD2 LEU 47 1HD2 LEU 47 5.355 9.517 -6.321 362 2HD2 LEU 47 2HD2 LEU 47 5.940 9.037 -4.727 363 3HD2 LEU 47 3HD2 LEU 47 5.649 10.739 -5.080 364 H ALA 48 H ALA 48 4.305 4.791 -5.364 365 HA ALA 48 HA ALA 48 1.545 3.958 -5.141 366 1HB ALA 48 1HB ALA 48 2.995 3.606 -7.166 367 2HB ALA 48 2HB ALA 48 2.145 2.171 -6.591 368 3HB ALA 48 3HB ALA 48 3.863 2.380 -6.244 369 H GLY 49 H GLY 49 4.612 2.293 -4.466 370 1HA GLY 49 2HA GLY 49 4.008 0.600 -2.473 371 2HA GLY 49 1HA GLY 49 5.463 1.576 -2.428 372 H CYS 50 H CYS 50 4.493 4.135 -1.774 373 HA CYS 50 HA CYS 50 3.992 3.803 0.979 374 1HB CYS 50 2HB CYS 50 4.110 6.143 -0.879 375 2HB CYS 50 1HB CYS 50 3.438 6.375 0.724 376 H ALA 51 H ALA 51 1.836 4.702 -1.716 377 HA ALA 51 HA ALA 51 -0.358 5.217 0.069 378 1HB ALA 51 1HB ALA 51 -0.387 4.962 -2.932 379 2HB ALA 51 2HB ALA 51 -0.110 6.455 -2.035 380 3HB ALA 51 3HB ALA 51 -1.669 5.635 -1.923 381 H ILE 52 H ILE 52 0.999 2.398 -1.022 382 HA ILE 52 HA ILE 52 -1.198 0.736 -1.436 383 HB ILE 52 HB ILE 52 1.476 0.308 -1.335 384 1HG1 ILE 52 2HG1 ILE 52 -0.196 -1.051 -2.532 385 2HG1 ILE 52 1HG1 ILE 52 1.006 -2.046 -1.720 386 1HG2 ILE 52 1HG2 ILE 52 0.411 -1.000 1.163 387 2HG2 ILE 52 2HG2 ILE 52 1.609 0.293 1.088 388 3HG2 ILE 52 3HG2 ILE 52 1.989 -1.302 0.436 389 1HD1 ILE 52 1HD1 ILE 52 -1.791 -1.509 -0.749 390 2HD1 ILE 52 2HD1 ILE 52 -0.590 -2.512 0.064 391 3HD1 ILE 52 3HD1 ILE 52 -1.215 -2.993 -1.514 392 H ASN 53 H ASN 53 0.074 2.192 1.497 393 HA ASN 53 HA ASN 53 -2.415 1.427 2.795 394 1HB ASN 53 2HB ASN 53 -0.561 -0.267 3.382 395 2HB ASN 53 1HB ASN 53 0.131 1.036 4.344 396 1HD2 ASN 53 1HD2 ASN 53 -1.010 -1.541 5.156 397 2HD2 ASN 53 2HD2 ASN 53 -2.259 -1.164 6.288 398 H CYS 54 H CYS 54 -2.510 3.748 2.120 399 HA CYS 54 HA CYS 54 -1.319 5.537 4.132 400 1HB CYS 54 2HB CYS 54 -2.394 7.330 2.703 401 2HB CYS 54 1HB CYS 54 -1.166 6.375 1.877 402 H LEU 55 H LEU 55 -4.435 4.380 2.929 403 HA LEU 55 HA LEU 55 -6.107 6.062 4.358 404 1HB LEU 55 2HB LEU 55 -6.622 4.317 2.534 405 2HB LEU 55 1HB LEU 55 -6.741 3.166 3.849 406 HG LEU 55 HG LEU 55 -8.931 4.064 3.054 407 1HD1 LEU 55 1HD1 LEU 55 -9.868 4.493 5.267 408 2HD1 LEU 55 2HD1 LEU 55 -8.243 4.701 5.918 409 3HD1 LEU 55 3HD1 LEU 55 -8.747 3.130 5.292 410 1HD2 LEU 55 1HD2 LEU 55 -8.227 6.328 2.542 411 2HD2 LEU 55 2HD2 LEU 55 -7.913 6.633 4.251 412 3HD2 LEU 55 3HD2 LEU 55 -9.561 6.337 3.696 413 H ALA 56 H ALA 56 -5.260 2.712 5.290 414 HA ALA 56 HA ALA 56 -6.555 3.145 7.830 415 1HB ALA 56 1HB ALA 56 -6.177 0.769 8.186 416 2HB ALA 56 2HB ALA 56 -5.166 0.706 6.742 417 3HB ALA 56 3HB ALA 56 -6.887 1.068 6.598 418 H THR 57 H THR 57 -3.352 3.292 6.613 419 HA THR 57 HA THR 57 -2.152 3.001 9.222 420 HB THR 57 HB THR 57 -0.975 3.765 6.547 421 HG1 THR 57 1HG THR 57 -1.425 1.564 6.839 422 1HG2 THR 57 1HG2 THR 57 0.271 3.721 9.272 423 2HG2 THR 57 2HG2 THR 57 0.359 4.989 8.046 424 3HG2 THR 57 3HG2 THR 57 1.230 3.470 7.813 425 H LYS 58 H LYS 58 -3.003 5.669 7.021 426 HA LYS 58 HA LYS 58 -1.957 7.599 8.879 427 1HB LYS 58 2HB LYS 58 -3.477 7.866 6.293 428 2HB LYS 58 1HB LYS 58 -3.091 9.258 7.297 429 1HG LYS 58 2HG LYS 58 -0.812 7.509 6.703 430 2HG LYS 58 1HG LYS 58 -1.523 8.308 5.298 431 1HD LYS 58 2HD LYS 58 -1.116 10.445 6.168 432 2HD LYS 58 1HD LYS 58 -0.857 9.832 7.792 433 1HE LYS 58 2HE LYS 58 1.220 8.770 7.069 434 2HE LYS 58 1HE LYS 58 0.955 9.377 5.434 435 1HZ LYS 58 1HZ LYS 58 1.245 11.597 6.154 436 2HZ LYS 58 2HZ LYS 58 2.512 10.720 6.859 437 3HZ LYS 58 3HZ LYS 58 1.169 11.169 7.793 438 H LEU 59 H LEU 59 -4.818 5.809 8.800 439 HA LEU 59 HA LEU 59 -6.501 7.625 10.132 440 1HB LEU 59 2HB LEU 59 -6.246 4.640 10.363 441 2HB LEU 59 1HB LEU 59 -7.462 5.568 11.219 442 HG LEU 59 HG LEU 59 -7.232 5.016 8.288 443 1HD1 LEU 59 1HD1 LEU 59 -9.445 4.938 10.306 444 2HD1 LEU 59 2HD1 LEU 59 -8.591 3.547 9.631 445 3HD1 LEU 59 3HD1 LEU 59 -9.629 4.536 8.599 446 1HD2 LEU 59 1HD2 LEU 59 -8.911 6.737 7.841 447 2HD2 LEU 59 2HD2 LEU 59 -7.419 7.453 8.451 448 3HD2 LEU 59 3HD2 LEU 59 -8.813 7.276 9.517 449 H ASP 60 H ASP 60 -4.587 5.007 11.675 450 HA ASP 60 HA ASP 60 -3.149 6.670 13.408 451 1HB ASP 60 2HB ASP 60 -5.513 7.043 14.298 452 2HB ASP 60 1HB ASP 60 -5.465 5.369 14.843 453 H VAL 61 H VAL 61 -1.420 5.274 13.179 454 HA VAL 61 HA VAL 61 -1.596 2.764 14.659 455 HB VAL 61 HB VAL 61 -0.461 1.446 12.887 456 1HG1 VAL 61 1HG1 VAL 61 -3.136 2.554 12.069 457 2HG1 VAL 61 2HG1 VAL 61 -2.852 1.197 13.158 458 3HG1 VAL 61 3HG1 VAL 61 -2.409 1.070 11.456 459 1HG2 VAL 61 1HG2 VAL 61 0.589 2.854 11.451 460 2HG2 VAL 61 2HG2 VAL 61 -0.781 3.964 11.344 461 3HG2 VAL 61 3HG2 VAL 61 -0.834 2.410 10.506 462 H VAL 62 H VAL 62 -0.303 4.876 15.639 463 HA VAL 62 HA VAL 62 2.500 4.645 14.787 464 HB VAL 62 HB VAL 62 2.948 6.761 15.787 465 1HG1 VAL 62 1HG1 VAL 62 1.905 6.864 13.606 466 2HG1 VAL 62 2HG1 VAL 62 1.425 8.246 14.591 467 3HG1 VAL 62 3HG1 VAL 62 0.308 6.902 14.354 468 1HG2 VAL 62 1HG2 VAL 62 1.407 8.060 17.079 469 2HG2 VAL 62 2HG2 VAL 62 1.567 6.470 17.829 470 3HG2 VAL 62 3HG2 VAL 62 0.139 6.851 16.866 471 H ASP 63 H ASP 63 3.824 3.397 15.930 472 HA ASP 63 HA ASP 63 3.106 2.325 18.463 473 1HB ASP 63 2HB ASP 63 4.657 1.375 16.532 474 2HB ASP 63 1HB ASP 63 5.913 2.165 17.468 475 HA PRO 64 HA PRO 64 6.587 4.826 20.344 476 1HB PRO 64 2HB PRO 64 8.412 6.049 18.667 477 2HB PRO 64 1HB PRO 64 8.461 4.348 19.134 478 1HG PRO 64 2HG PRO 64 7.996 5.412 16.534 479 2HG PRO 64 1HG PRO 64 7.914 3.715 17.033 480 1HD PRO 64 2HD PRO 64 5.720 5.715 16.754 481 2HD PRO 64 1HD PRO 64 5.691 3.976 16.445 482 H ASP 65 H ASP 65 8.078 7.246 19.386 483 HA ASP 65 HA ASP 65 6.333 9.196 20.512 484 1HB ASP 65 2HB ASP 65 9.069 9.394 19.247 485 2HB ASP 65 1HB ASP 65 8.245 10.768 19.972 486 H GLY 66 H GLY 66 5.931 7.955 17.646 487 1HA GLY 66 2HA GLY 66 4.314 9.318 16.261 488 2HA GLY 66 1HA GLY 66 5.586 10.517 16.232 489 H ASN 67 H ASN 67 7.703 9.726 15.459 490 HA ASN 67 HA ASN 67 7.429 8.599 12.851 491 1HB ASN 67 2HB ASN 67 9.939 8.894 12.822 492 2HB ASN 67 1HB ASN 67 9.026 10.362 13.163 493 1HD2 ASN 67 1HD2 ASN 67 11.119 7.910 14.496 494 2HD2 ASN 67 2HD2 ASN 67 11.490 8.739 15.971 495 H LEU 68 H LEU 68 8.430 6.729 12.033 496 HA LEU 68 HA LEU 68 9.368 4.667 11.974 497 1HB LEU 68 2HB LEU 68 10.413 5.615 14.611 498 2HB LEU 68 1HB LEU 68 10.635 3.939 14.146 499 HG LEU 68 HG LEU 68 12.612 5.282 13.621 500 1HD1 LEU 68 1HD1 LEU 68 11.920 3.339 12.208 501 2HD1 LEU 68 2HD1 LEU 68 12.941 4.521 11.390 502 3HD1 LEU 68 3HD1 LEU 68 11.206 4.491 11.080 503 1HD2 LEU 68 1HD2 LEU 68 11.092 7.354 13.142 504 2HD2 LEU 68 2HD2 LEU 68 11.111 6.731 11.490 505 3HD2 LEU 68 3HD2 LEU 68 12.624 7.156 12.290 506 H HIS 69 H HIS 69 6.675 5.045 12.803 507 HA HIS 69 HA HIS 69 6.112 3.109 14.839 508 1HB HIS 69 2HB HIS 69 3.728 3.500 14.226 509 2HB HIS 69 1HB HIS 69 4.608 4.953 14.676 510 HD1 HIS 69 1HD HIS 69 2.480 3.560 12.081 511 HD2 HIS 69 2HD HIS 69 5.297 6.605 12.339 512 HE1 HIS 69 1HE HIS 69 2.073 5.029 10.081 513 HE2 HIS 69 2HE HIS 69 3.683 6.954 10.345 514 H HIS 70 H HIS 70 7.431 1.448 13.639 515 HA HIS 70 HA HIS 70 6.011 0.159 11.465 516 1HB HIS 70 2HB HIS 70 7.907 -1.619 11.835 517 2HB HIS 70 1HB HIS 70 8.252 -0.096 11.034 518 HD1 HIS 70 1HD HIS 70 10.032 1.344 12.024 519 HD2 HIS 70 2HD HIS 70 8.935 -1.772 14.553 520 HE1 HIS 70 1HE HIS 70 11.667 1.405 13.934 521 HE2 HIS 70 2HE HIS 70 11.078 -0.576 15.371 522 H GLY 71 H GLY 71 6.442 -0.260 14.907 523 1HA GLY 71 2HA GLY 71 5.618 -2.969 15.078 524 2HA GLY 71 1HA GLY 71 5.582 -1.798 16.387 525 H ASN 72 H ASN 72 3.797 -0.092 16.018 526 HA ASN 72 HA ASN 72 1.343 -1.344 16.336 527 1HB ASN 72 2HB ASN 72 2.184 1.086 16.913 528 2HB ASN 72 1HB ASN 72 1.440 1.498 15.376 529 1HD2 ASN 72 1HD2 ASN 72 0.685 2.451 17.929 530 2HD2 ASN 72 2HD2 ASN 72 -0.945 1.941 18.206 531 H ALA 73 H ALA 73 2.858 -0.215 13.351 532 HA ALA 73 HA ALA 73 0.460 -0.258 11.806 533 1HB ALA 73 1HB ALA 73 2.371 1.127 11.172 534 2HB ALA 73 2HB ALA 73 1.930 0.008 9.881 535 3HB ALA 73 3HB ALA 73 3.334 -0.325 10.895 536 H LYS 74 H LYS 74 3.039 -2.579 12.491 537 HA LYS 74 HA LYS 74 2.038 -4.452 10.537 538 1HB LYS 74 2HB LYS 74 4.082 -4.896 12.708 539 2HB LYS 74 1HB LYS 74 3.718 -6.003 11.394 540 1HG LYS 74 2HG LYS 74 5.173 -3.402 11.335 541 2HG LYS 74 1HG LYS 74 5.615 -4.960 10.649 542 1HD LYS 74 2HD LYS 74 3.389 -3.212 9.623 543 2HD LYS 74 1HD LYS 74 5.014 -3.271 8.945 544 1HE LYS 74 2HE LYS 74 4.724 -5.607 8.372 545 2HE LYS 74 1HE LYS 74 3.136 -5.621 9.139 546 1HZ LYS 74 1HZ LYS 74 2.394 -3.965 7.521 547 2HZ LYS 74 2HZ LYS 74 2.919 -5.384 6.751 548 3HZ LYS 74 3HZ LYS 74 3.910 -4.012 6.768 549 H ASP 75 H ASP 75 1.885 -3.982 14.019 550 HA ASP 75 HA ASP 75 0.395 -6.281 14.658 551 1HB ASP 75 2HB ASP 75 1.402 -4.762 16.349 552 2HB ASP 75 1HB ASP 75 0.206 -3.539 15.935 553 H PHE 76 H PHE 76 -0.534 -3.086 13.493 554 HA PHE 76 HA PHE 76 -3.294 -3.322 13.544 555 1HB PHE 76 2HB PHE 76 -2.329 -1.202 12.973 556 2HB PHE 76 1HB PHE 76 -1.483 -1.895 11.592 557 HD1 PHE 76 1HD PHE 76 -4.954 -1.532 12.883 558 HD2 PHE 76 2HD PHE 76 -2.372 -1.572 9.514 559 HE1 PHE 76 1HE PHE 76 -6.858 -0.969 11.431 560 HE2 PHE 76 2HE PHE 76 -4.265 -1.016 8.048 561 HZ PHE 76 HZ PHE 76 -6.514 -0.715 9.009 562 H ALA 77 H ALA 77 -0.999 -4.415 11.065 563 HA ALA 77 HA ALA 77 -3.020 -5.353 9.289 564 1HB ALA 77 1HB ALA 77 -1.044 -6.718 8.345 565 2HB ALA 77 2HB ALA 77 -0.064 -5.813 9.502 566 3HB ALA 77 3HB ALA 77 -0.971 -4.957 8.254 567 H MET 78 H MET 78 -1.236 -6.805 11.927 568 HA MET 78 HA MET 78 -2.045 -9.486 11.352 569 1HB MET 78 2HB MET 78 -0.867 -8.242 13.841 570 2HB MET 78 1HB MET 78 -1.164 -9.964 13.652 571 1HG MET 78 2HG MET 78 0.388 -10.063 11.806 572 2HG MET 78 1HG MET 78 0.639 -8.322 11.893 573 1HE MET 78 1HE MET 78 3.038 -10.388 11.873 574 2HE MET 78 2HE MET 78 4.069 -9.698 13.128 575 3HE MET 78 3HE MET 78 3.241 -8.640 11.986 576 H LYS 79 H LYS 79 -3.307 -6.905 13.403 577 HA LYS 79 HA LYS 79 -5.303 -8.734 14.465 578 1HB LYS 79 2HB LYS 79 -4.785 -5.812 15.049 579 2HB LYS 79 1HB LYS 79 -6.047 -6.771 15.807 580 1HG LYS 79 2HG LYS 79 -3.153 -7.551 15.954 581 2HG LYS 79 1HG LYS 79 -3.882 -6.430 17.098 582 1HD LYS 79 2HD LYS 79 -3.919 -8.604 18.088 583 2HD LYS 79 1HD LYS 79 -5.573 -8.198 17.634 584 1HE LYS 79 2HE LYS 79 -5.320 -9.553 15.594 585 2HE LYS 79 1HE LYS 79 -3.686 -9.982 16.097 586 1HZ LYS 79 1HZ LYS 79 -4.493 -11.226 17.889 587 2HZ LYS 79 2HZ LYS 79 -5.525 -11.627 16.601 588 3HZ LYS 79 3HZ LYS 79 -6.041 -10.539 17.798 589 H HIS 80 H HIS 80 -4.971 -6.747 11.758 590 HA HIS 80 HA HIS 80 -7.840 -6.998 11.252 591 1HB HIS 80 2HB HIS 80 -6.398 -4.409 10.651 592 2HB HIS 80 1HB HIS 80 -8.124 -4.731 10.539 593 HD1 HIS 80 1HD HIS 80 -9.472 -4.759 12.792 594 HD2 HIS 80 2HD HIS 80 -5.466 -3.699 13.158 595 HE1 HIS 80 1HE HIS 80 -9.236 -3.752 15.089 596 HE2 HIS 80 2HE HIS 80 -6.839 -2.970 15.216 597 H GLY 81 H GLY 81 -7.336 -8.613 9.724 598 1HA GLY 81 2HA GLY 81 -7.498 -8.357 7.200 599 2HA GLY 81 1HA GLY 81 -5.914 -7.613 7.340 600 H ALA 82 H ALA 82 -4.212 -8.971 8.360 601 HA ALA 82 HA ALA 82 -4.394 -11.651 7.180 602 1HB ALA 82 1HB ALA 82 -1.889 -10.313 8.181 603 2HB ALA 82 2HB ALA 82 -2.534 -10.037 6.560 604 3HB ALA 82 3HB ALA 82 -2.041 -11.659 7.049 605 H ASP 83 H ASP 83 -3.820 -13.511 8.370 606 HA ASP 83 HA ASP 83 -3.746 -13.185 11.262 607 1HB ASP 83 2HB ASP 83 -4.147 -15.464 11.493 608 2HB ASP 83 1HB ASP 83 -5.067 -15.028 10.070 609 H GLU 84 H GLU 84 -2.070 -14.832 12.303 610 HA GLU 84 HA GLU 84 0.218 -13.431 11.950 611 1HB GLU 84 2HB GLU 84 -0.552 -15.808 13.521 612 2HB GLU 84 1HB GLU 84 1.170 -15.597 13.247 613 1HG GLU 84 2HG GLU 84 0.834 -13.225 14.125 614 2HG GLU 84 1HG GLU 84 -0.725 -13.807 14.713 615 H THR 85 H THR 85 -0.734 -16.540 10.556 616 HA THR 85 HA THR 85 1.880 -17.338 9.861 617 HB THR 85 HB THR 85 -0.092 -18.883 9.892 618 HG1 THR 85 1HG THR 85 0.692 -19.769 7.632 619 1HG2 THR 85 1HG2 THR 85 -1.682 -17.548 8.635 620 2HG2 THR 85 2HG2 THR 85 -1.410 -19.099 7.832 621 3HG2 THR 85 3HG2 THR 85 -0.651 -17.635 7.204 622 H MET 86 H MET 86 -0.443 -15.199 8.243 623 HA MET 86 HA MET 86 1.090 -15.242 5.787 624 1HB MET 86 2HB MET 86 -1.222 -13.428 6.487 625 2HB MET 86 1HB MET 86 -0.589 -13.779 4.885 626 1HG MET 86 2HG MET 86 -1.270 -16.141 5.205 627 2HG MET 86 1HG MET 86 -2.020 -15.661 6.727 628 1HE MET 86 1HE MET 86 -1.853 -13.786 3.254 629 2HE MET 86 2HE MET 86 -3.393 -14.271 2.545 630 3HE MET 86 3HE MET 86 -2.134 -15.473 2.830 631 H ALA 87 H ALA 87 0.408 -13.128 8.495 632 HA ALA 87 HA ALA 87 1.926 -10.917 7.705 633 1HB ALA 87 1HB ALA 87 1.150 -12.058 10.365 634 2HB ALA 87 2HB ALA 87 0.534 -10.616 9.558 635 3HB ALA 87 3HB ALA 87 2.158 -10.615 10.245 636 H GLN 88 H GLN 88 2.765 -13.999 9.111 637 HA GLN 88 HA GLN 88 5.481 -13.315 9.705 638 1HB GLN 88 2HB GLN 88 3.748 -15.643 10.030 639 2HB GLN 88 1HB GLN 88 5.418 -16.054 9.672 640 1HG GLN 88 2HG GLN 88 4.807 -15.899 12.108 641 2HG GLN 88 1HG GLN 88 6.214 -14.971 11.599 642 1HE2 GLN 88 1HE2 GLN 88 2.892 -14.804 12.683 643 2HE2 GLN 88 2HE2 GLN 88 2.921 -13.110 13.061 644 H GLN 89 H GLN 89 3.812 -14.572 6.950 645 HA GLN 89 HA GLN 89 6.218 -15.392 5.602 646 1HB GLN 89 2HB GLN 89 3.595 -14.725 4.230 647 2HB GLN 89 1HB GLN 89 4.908 -15.711 3.621 648 1HG GLN 89 2HG GLN 89 3.021 -16.394 5.861 649 2HG GLN 89 1HG GLN 89 3.071 -17.103 4.249 650 1HE2 GLN 89 1HE2 GLN 89 3.280 -18.318 6.878 651 2HE2 GLN 89 2HE2 GLN 89 4.769 -19.199 6.885 652 H LEU 90 H LEU 90 4.490 -12.433 6.091 653 HA LEU 90 HA LEU 90 5.833 -11.073 3.915 654 1HB LEU 90 2HB LEU 90 3.769 -10.330 5.921 655 2HB LEU 90 1HB LEU 90 4.737 -9.042 5.239 656 HG LEU 90 HG LEU 90 4.001 -9.726 2.969 657 1HD1 LEU 90 1HD1 LEU 90 2.177 -11.602 4.460 658 2HD1 LEU 90 2HD1 LEU 90 3.514 -12.066 3.406 659 3HD1 LEU 90 3HD1 LEU 90 2.105 -11.243 2.735 660 1HD2 LEU 90 1HD2 LEU 90 1.789 -9.117 4.924 661 2HD2 LEU 90 2HD2 LEU 90 1.718 -8.872 3.180 662 3HD2 LEU 90 3HD2 LEU 90 2.854 -7.941 4.154 663 H VAL 91 H VAL 91 5.896 -11.079 7.470 664 HA VAL 91 HA VAL 91 7.769 -9.032 7.794 665 HB VAL 91 HB VAL 91 8.326 -10.144 9.998 666 1HG1 VAL 91 1HG1 VAL 91 5.953 -9.759 10.891 667 2HG1 VAL 91 2HG1 VAL 91 5.539 -9.355 9.220 668 3HG1 VAL 91 3HG1 VAL 91 6.757 -8.411 10.080 669 1HG2 VAL 91 1HG2 VAL 91 7.558 -12.458 9.102 670 2HG2 VAL 91 2HG2 VAL 91 5.952 -11.891 9.537 671 3HG2 VAL 91 3HG2 VAL 91 7.208 -12.011 10.766 672 H ASP 92 H ASP 92 8.243 -12.391 6.974 673 HA ASP 92 HA ASP 92 10.977 -12.505 7.722 674 1HB ASP 92 2HB ASP 92 9.751 -14.567 7.523 675 2HB ASP 92 1HB ASP 92 9.372 -14.244 5.837 676 H ILE 93 H ILE 93 9.294 -11.928 4.662 677 HA ILE 93 HA ILE 93 11.657 -11.565 3.145 678 HB ILE 93 HB ILE 93 8.762 -11.008 2.677 679 1HG1 ILE 93 2HG1 ILE 93 9.136 -12.349 0.674 680 2HG1 ILE 93 1HG1 ILE 93 10.863 -12.374 0.996 681 1HG2 ILE 93 1HG2 ILE 93 9.953 -8.955 1.939 682 2HG2 ILE 93 2HG2 ILE 93 9.152 -9.827 0.630 683 3HG2 ILE 93 3HG2 ILE 93 10.898 -9.958 0.838 684 1HD1 ILE 93 1HD1 ILE 93 10.447 -13.668 3.035 685 2HD1 ILE 93 2HD1 ILE 93 9.825 -14.479 1.598 686 3HD1 ILE 93 3HD1 ILE 93 8.719 -13.642 2.686 687 H ILE 94 H ILE 94 9.495 -9.370 4.880 688 HA ILE 94 HA ILE 94 10.561 -6.954 3.960 689 HB ILE 94 HB ILE 94 9.399 -7.592 6.674 690 1HG1 ILE 94 2HG1 ILE 94 8.198 -6.323 4.204 691 2HG1 ILE 94 1HG1 ILE 94 7.861 -7.942 4.805 692 1HG2 ILE 94 1HG2 ILE 94 9.963 -4.905 5.422 693 2HG2 ILE 94 2HG2 ILE 94 10.778 -5.598 6.824 694 3HG2 ILE 94 3HG2 ILE 94 9.070 -5.170 6.920 695 1HD1 ILE 94 1HD1 ILE 94 7.270 -5.404 6.290 696 2HD1 ILE 94 2HD1 ILE 94 6.829 -7.040 6.781 697 3HD1 ILE 94 3HD1 ILE 94 6.098 -6.320 5.345 698 H HIS 95 H HIS 95 11.475 -8.941 6.744 699 HA HIS 95 HA HIS 95 13.532 -7.136 7.584 700 1HB HIS 95 2HB HIS 95 13.107 -10.028 8.363 701 2HB HIS 95 1HB HIS 95 14.158 -8.884 9.187 702 HD1 HIS 95 1HD HIS 95 11.973 -10.273 10.768 703 HD2 HIS 95 2HD HIS 95 11.415 -6.626 8.844 704 HE1 HIS 95 1HE HIS 95 10.049 -9.172 11.950 705 HE2 HIS 95 2HE HIS 95 9.793 -6.920 10.846 706 H GLY 96 H GLY 96 13.431 -9.994 5.540 707 1HA GLY 96 2HA GLY 96 16.303 -10.363 5.695 708 2HA GLY 96 1HA GLY 96 15.165 -11.351 4.787 709 H CYS 97 H CYS 97 13.925 -9.475 3.228 710 HA CYS 97 HA CYS 97 15.878 -9.137 1.226 711 1HB CYS 97 2HB CYS 97 13.043 -8.109 1.331 712 2HB CYS 97 1HB CYS 97 14.075 -8.109 -0.093 713 H GLU 98 H GLU 98 14.195 -6.817 3.408 714 HA GLU 98 HA GLU 98 15.466 -4.522 2.391 715 1HB GLU 98 2HB GLU 98 13.595 -4.913 4.274 716 2HB GLU 98 1HB GLU 98 14.985 -4.684 5.322 717 1HG GLU 98 2HG GLU 98 14.331 -2.714 3.165 718 2HG GLU 98 1HG GLU 98 13.524 -2.659 4.728 719 H LYS 99 H LYS 99 16.550 -6.892 4.810 720 HA LYS 99 HA LYS 99 18.883 -5.473 5.544 721 1HB LYS 99 2HB LYS 99 17.888 -7.277 6.902 722 2HB LYS 99 1HB LYS 99 18.332 -8.441 5.662 723 1HG LYS 99 2HG LYS 99 19.911 -8.532 7.470 724 2HG LYS 99 1HG LYS 99 20.689 -7.894 6.021 725 1HD LYS 99 2HD LYS 99 20.460 -5.623 6.875 726 2HD LYS 99 1HD LYS 99 19.633 -6.236 8.307 727 1HE LYS 99 2HE LYS 99 22.455 -6.943 7.510 728 2HE LYS 99 1HE LYS 99 22.025 -5.716 8.701 729 1HZ LYS 99 1HZ LYS 99 20.937 -7.450 10.014 730 2HZ LYS 99 2HZ LYS 99 22.581 -7.787 9.783 731 3HZ LYS 99 3HZ LYS 99 21.410 -8.620 8.881 732 H SER 100 H SER 100 18.170 -7.786 2.985 733 HA SER 100 HA SER 100 20.986 -7.847 2.186 734 1HB SER 100 2HB SER 100 18.669 -9.374 0.986 735 2HB SER 100 1HB SER 100 20.389 -9.709 0.787 736 HG SER 100 HG SER 100 18.883 -9.901 3.190 737 H ALA 101 H ALA 101 18.686 -5.717 1.730 738 HA ALA 101 HA ALA 101 18.417 -5.579 -1.107 739 1HB ALA 101 1HB ALA 101 17.862 -3.455 0.962 740 2HB ALA 101 2HB ALA 101 16.711 -4.670 0.405 741 3HB ALA 101 3HB ALA 101 17.314 -3.447 -0.713 742 HA PRO 102 HA PRO 102 22.126 -3.364 -2.183 743 1HB PRO 102 2HB PRO 102 20.416 -2.013 -4.190 744 2HB PRO 102 1HB PRO 102 21.884 -2.967 -4.430 745 1HG PRO 102 2HG PRO 102 19.488 -3.934 -5.107 746 2HG PRO 102 1HG PRO 102 20.741 -4.979 -4.411 747 1HD PRO 102 2HD PRO 102 18.332 -3.778 -3.105 748 2HD PRO 102 1HD PRO 102 19.021 -5.402 -2.911 749 HA PRO 103 HA PRO 103 21.712 0.326 0.154 750 1HB PRO 103 2HB PRO 103 23.737 1.503 -1.665 751 2HB PRO 103 1HB PRO 103 23.761 1.330 0.093 752 1HG PRO 103 2HG PRO 103 25.255 -0.245 -1.454 753 2HG PRO 103 1HG PRO 103 24.459 -0.878 -0.001 754 1HD PRO 103 2HD PRO 103 23.693 -1.189 -2.874 755 2HD PRO 103 1HD PRO 103 23.608 -2.370 -1.551 756 H ASN 104 H ASN 104 19.627 0.873 -0.568 757 HA ASN 104 HA ASN 104 19.612 3.215 -2.355 758 1HB ASN 104 2HB ASN 104 18.402 1.110 -3.237 759 2HB ASN 104 1HB ASN 104 17.234 1.391 -1.951 760 1HD2 ASN 104 1HD2 ASN 104 16.686 1.391 -4.730 761 2HD2 ASN 104 2HD2 ASN 104 16.151 2.978 -5.160 762 H ASP 105 H ASP 105 19.773 4.719 -0.711 763 HA ASP 105 HA ASP 105 18.246 4.349 1.710 764 1HB ASP 105 2HB ASP 105 20.534 5.294 1.781 765 2HB ASP 105 1HB ASP 105 19.957 6.705 0.900 766 H ASP 106 H ASP 106 16.330 4.336 0.111 767 HA ASP 106 HA ASP 106 15.126 7.006 0.384 768 1HB ASP 106 2HB ASP 106 15.366 6.415 -2.007 769 2HB ASP 106 1HB ASP 106 14.430 4.948 -1.725 770 H LYS 107 H LYS 107 13.900 6.953 2.049 771 HA LYS 107 HA LYS 107 12.948 5.045 3.606 772 1HB LYS 107 2HB LYS 107 11.864 7.677 2.910 773 2HB LYS 107 1HB LYS 107 10.684 6.573 3.610 774 1HG LYS 107 2HG LYS 107 11.539 7.657 5.456 775 2HG LYS 107 1HG LYS 107 12.454 6.150 5.406 776 1HD LYS 107 2HD LYS 107 14.088 7.671 3.936 777 2HD LYS 107 1HD LYS 107 13.335 8.943 4.912 778 1HE LYS 107 2HE LYS 107 14.028 7.887 6.941 779 2HE LYS 107 1HE LYS 107 14.609 6.469 6.068 780 1HZ LYS 107 1HZ LYS 107 16.295 7.842 5.022 781 2HZ LYS 107 2HZ LYS 107 16.428 7.932 6.705 782 3HZ LYS 107 3HZ LYS 107 15.734 9.216 5.838 783 H CYS 108 H CYS 108 10.936 5.961 0.710 784 HA CYS 108 HA CYS 108 9.213 3.761 1.414 785 1HB CYS 108 2HB CYS 108 8.553 6.126 0.509 786 2HB CYS 108 1HB CYS 108 8.867 5.413 -1.064 787 H MET 109 H MET 109 11.721 4.415 -0.992 788 HA MET 109 HA MET 109 10.922 2.497 -2.895 789 1HB MET 109 2HB MET 109 13.497 3.909 -2.353 790 2HB MET 109 1HB MET 109 13.460 2.581 -3.505 791 1HG MET 109 2HG MET 109 11.795 5.082 -3.636 792 2HG MET 109 1HG MET 109 13.228 4.735 -4.602 793 1HE MET 109 1HE MET 109 13.341 2.764 -6.412 794 2HE MET 109 2HE MET 109 11.989 1.685 -6.762 795 3HE MET 109 3HE MET 109 12.799 1.607 -5.197 796 H LYS 110 H LYS 110 12.958 2.210 -0.041 797 HA LYS 110 HA LYS 110 14.181 -0.248 -0.621 798 1HB LYS 110 2HB LYS 110 14.298 -0.532 1.882 799 2HB LYS 110 1HB LYS 110 14.989 0.963 1.267 800 1HG LYS 110 2HG LYS 110 13.191 2.236 2.073 801 2HG LYS 110 1HG LYS 110 12.181 0.806 2.309 802 1HD LYS 110 2HD LYS 110 12.955 1.544 4.443 803 2HD LYS 110 1HD LYS 110 13.786 0.038 4.043 804 1HE LYS 110 2HE LYS 110 15.546 1.769 3.017 805 2HE LYS 110 1HE LYS 110 14.858 2.792 4.277 806 1HZ LYS 110 1HZ LYS 110 15.358 0.989 5.877 807 2HZ LYS 110 2HZ LYS 110 16.742 1.647 5.156 808 3HZ LYS 110 3HZ LYS 110 16.149 0.141 4.638 809 H THR 111 H THR 111 11.256 0.427 1.183 810 HA THR 111 HA THR 111 10.301 -2.124 1.560 811 HB THR 111 HB THR 111 9.462 0.464 2.072 812 HG1 THR 111 1HG THR 111 7.655 -1.510 2.734 813 1HG2 THR 111 1HG2 THR 111 8.029 0.608 0.088 814 2HG2 THR 111 2HG2 THR 111 7.011 0.391 1.512 815 3HG2 THR 111 3HG2 THR 111 7.335 -0.974 0.449 816 H ILE 112 H ILE 112 10.774 -0.640 -1.447 817 HA ILE 112 HA ILE 112 8.568 -2.055 -2.741 818 HB ILE 112 HB ILE 112 10.319 0.162 -3.452 819 1HG1 ILE 112 2HG1 ILE 112 8.310 0.603 -5.010 820 2HG1 ILE 112 1HG1 ILE 112 7.556 -0.742 -4.159 821 1HG2 ILE 112 1HG2 ILE 112 9.710 -1.912 -5.556 822 2HG2 ILE 112 2HG2 ILE 112 11.297 -1.336 -5.044 823 3HG2 ILE 112 3HG2 ILE 112 10.208 -0.257 -5.914 824 1HD1 ILE 112 1HD1 ILE 112 8.003 0.485 -2.033 825 2HD1 ILE 112 2HD1 ILE 112 6.842 1.250 -3.112 826 3HD1 ILE 112 3HD1 ILE 112 8.492 1.866 -3.010 827 H ASP 113 H ASP 113 12.103 -1.950 -2.605 828 HA ASP 113 HA ASP 113 12.638 -4.145 -4.249 829 1HB ASP 113 2HB ASP 113 14.136 -3.036 -1.870 830 2HB ASP 113 1HB ASP 113 14.727 -4.403 -2.803 831 H VAL 114 H VAL 114 11.642 -3.987 -0.862 832 HA VAL 114 HA VAL 114 12.051 -6.798 -0.518 833 HB VAL 114 HB VAL 114 11.223 -6.583 1.684 834 1HG1 VAL 114 1HG1 VAL 114 13.433 -5.390 0.772 835 2HG1 VAL 114 2HG1 VAL 114 12.973 -5.401 2.476 836 3HG1 VAL 114 3HG1 VAL 114 12.609 -3.996 1.475 837 1HG2 VAL 114 1HG2 VAL 114 10.564 -3.760 1.196 838 2HG2 VAL 114 2HG2 VAL 114 10.102 -4.752 2.570 839 3HG2 VAL 114 3HG2 VAL 114 9.347 -5.003 0.989 840 H ALA 115 H ALA 115 9.314 -4.675 -1.172 841 HA ALA 115 HA ALA 115 7.245 -6.538 -0.898 842 1HB ALA 115 1HB ALA 115 7.048 -4.059 -1.254 843 2HB ALA 115 2HB ALA 115 5.902 -5.052 -2.151 844 3HB ALA 115 3HB ALA 115 7.305 -4.361 -2.969 845 H MET 116 H MET 116 9.063 -5.639 -3.841 846 HA MET 116 HA MET 116 7.775 -7.650 -5.377 847 1HB MET 116 2HB MET 116 9.453 -7.200 -7.132 848 2HB MET 116 1HB MET 116 8.640 -5.762 -6.560 849 1HG MET 116 2HG MET 116 10.904 -5.239 -6.952 850 2HG MET 116 1HG MET 116 10.659 -5.219 -5.217 851 1HE MET 116 1HE MET 116 13.433 -5.279 -6.800 852 2HE MET 116 2HE MET 116 14.389 -6.463 -5.909 853 3HE MET 116 3HE MET 116 13.433 -5.265 -5.036 854 H CYS 117 H CYS 117 10.486 -7.654 -3.280 855 HA CYS 117 HA CYS 117 11.685 -10.091 -4.079 856 1HB CYS 117 2HB CYS 117 12.784 -8.369 -2.674 857 2HB CYS 117 1HB CYS 117 11.675 -8.755 -1.365 858 H PHE 118 H PHE 118 8.919 -9.239 -2.191 859 HA PHE 118 HA PHE 118 8.669 -11.784 -0.933 860 1HB PHE 118 2HB PHE 118 7.641 -9.928 0.193 861 2HB PHE 118 1HB PHE 118 6.695 -9.506 -1.228 862 HD1 PHE 118 1HD PHE 118 4.498 -10.228 -1.360 863 HD2 PHE 118 2HD PHE 118 7.211 -12.327 1.168 864 HE1 PHE 118 1HE PHE 118 2.658 -11.647 -0.567 865 HE2 PHE 118 2HE PHE 118 5.370 -13.745 1.963 866 HZ PHE 118 HZ PHE 118 3.091 -13.409 1.096 867 H LYS 119 H LYS 119 7.166 -10.241 -3.797 868 HA LYS 119 HA LYS 119 5.585 -12.578 -4.293 869 1HB LYS 119 2HB LYS 119 4.773 -11.564 -6.195 870 2HB LYS 119 1HB LYS 119 5.190 -10.179 -5.201 871 1HG LYS 119 2HG LYS 119 7.499 -10.627 -6.603 872 2HG LYS 119 1HG LYS 119 6.239 -11.041 -7.773 873 1HD LYS 119 2HD LYS 119 5.180 -8.874 -7.399 874 2HD LYS 119 1HD LYS 119 6.442 -8.458 -6.232 875 1HE LYS 119 2HE LYS 119 7.062 -7.449 -8.287 876 2HE LYS 119 1HE LYS 119 8.113 -8.853 -8.049 877 1HZ LYS 119 1HZ LYS 119 7.228 -8.629 -10.340 878 2HZ LYS 119 2HZ LYS 119 5.663 -8.881 -9.738 879 3HZ LYS 119 3HZ LYS 119 6.829 -10.104 -9.605 880 H LYS 120 H LYS 120 8.820 -11.522 -5.309 881 HA LYS 120 HA LYS 120 9.465 -13.575 -7.049 882 1HB LYS 120 2HB LYS 120 10.876 -11.687 -5.464 883 2HB LYS 120 1HB LYS 120 11.626 -13.254 -5.201 884 1HG LYS 120 2HG LYS 120 12.733 -12.137 -7.010 885 2HG LYS 120 1HG LYS 120 11.839 -13.521 -7.647 886 1HD LYS 120 2HD LYS 120 11.466 -11.677 -9.119 887 2HD LYS 120 1HD LYS 120 9.978 -11.952 -8.214 888 1HE LYS 120 2HE LYS 120 10.349 -9.605 -8.271 889 2HE LYS 120 1HE LYS 120 10.703 -10.153 -6.634 890 1HZ LYS 120 1HZ LYS 120 12.358 -8.580 -7.483 891 2HZ LYS 120 2HZ LYS 120 12.746 -9.652 -8.737 892 3HZ LYS 120 3HZ LYS 120 13.046 -10.087 -7.126 893 H GLU 121 H GLU 121 9.961 -13.626 -3.505 894 HA GLU 121 HA GLU 121 10.415 -16.375 -3.320 895 1HB GLU 121 2HB GLU 121 9.412 -14.403 -1.287 896 2HB GLU 121 1HB GLU 121 9.714 -16.090 -0.895 897 1HG GLU 121 2HG GLU 121 11.723 -14.095 -1.915 898 2HG GLU 121 1HG GLU 121 11.623 -14.765 -0.288 899 H ILE 122 H ILE 122 7.251 -14.665 -2.980 900 HA ILE 122 HA ILE 122 5.725 -16.890 -2.421 901 HB ILE 122 HB ILE 122 5.207 -14.194 -2.992 902 1HG1 ILE 122 2HG1 ILE 122 4.313 -15.586 -1.174 903 2HG1 ILE 122 1HG1 ILE 122 3.069 -14.667 -2.005 904 1HG2 ILE 122 1HG2 ILE 122 3.429 -15.898 -4.734 905 2HG2 ILE 122 2HG2 ILE 122 4.731 -14.880 -5.349 906 3HG2 ILE 122 3HG2 ILE 122 3.363 -14.149 -4.510 907 1HD1 ILE 122 1HD1 ILE 122 2.402 -16.672 -3.224 908 2HD1 ILE 122 2HD1 ILE 122 2.315 -16.914 -1.480 909 3HD1 ILE 122 3HD1 ILE 122 3.660 -17.590 -2.398 910 H HIS 123 H HIS 123 6.982 -15.803 -5.570 911 HA HIS 123 HA HIS 123 5.620 -17.792 -7.086 912 1HB HIS 123 2HB HIS 123 7.948 -15.979 -7.597 913 2HB HIS 123 1HB HIS 123 7.615 -17.294 -8.717 914 HD1 HIS 123 1HD HIS 123 6.994 -15.674 -10.609 915 HD2 HIS 123 2HD HIS 123 4.613 -15.282 -7.219 916 HE1 HIS 123 1HE HIS 123 5.026 -14.276 -11.319 917 HE2 HIS 123 2HE HIS 123 3.522 -14.179 -9.297 918 H LYS 124 H LYS 124 8.685 -17.750 -5.347 919 HA LYS 124 HA LYS 124 9.678 -20.217 -6.324 920 1HB LYS 124 2HB LYS 124 11.322 -18.969 -5.308 921 2HB LYS 124 1HB LYS 124 10.252 -18.384 -4.047 922 1HG LYS 124 2HG LYS 124 10.371 -20.633 -2.987 923 2HG LYS 124 1HG LYS 124 11.573 -21.085 -4.200 924 1HD LYS 124 2HD LYS 124 13.132 -19.538 -3.398 925 2HD LYS 124 1HD LYS 124 11.910 -18.632 -2.506 926 1HE LYS 124 2HE LYS 124 11.640 -20.587 -1.001 927 2HE LYS 124 1HE LYS 124 12.961 -21.383 -1.854 928 1HZ LYS 124 1HZ LYS 124 13.221 -18.754 -0.505 929 2HZ LYS 124 2HZ LYS 124 14.470 -19.704 -1.150 930 3HZ LYS 124 3HZ LYS 124 13.628 -20.227 0.227 931 H LEU 125 H LEU 125 7.645 -19.303 -3.593 932 HA LEU 125 HA LEU 125 7.242 -21.982 -2.682 933 1HB LEU 125 2HB LEU 125 5.559 -19.517 -2.226 934 2HB LEU 125 1HB LEU 125 5.441 -21.018 -1.328 935 HG LEU 125 HG LEU 125 7.807 -19.140 -1.337 936 1HD1 LEU 125 1HD1 LEU 125 5.905 -18.270 -0.096 937 2HD1 LEU 125 2HD1 LEU 125 7.202 -18.751 0.997 938 3HD1 LEU 125 3HD1 LEU 125 5.786 -19.782 0.804 939 1HD2 LEU 125 1HD2 LEU 125 8.724 -20.597 0.394 940 2HD2 LEU 125 2HD2 LEU 125 8.508 -21.469 -1.124 941 3HD2 LEU 125 3HD2 LEU 125 7.362 -21.699 0.195 942 H ASN 126 H ASN 126 6.345 -20.625 -5.512 943 HA ASN 126 HA ASN 126 4.875 -21.061 -7.137 944 1HB ASN 126 2HB ASN 126 4.451 -23.496 -5.439 945 2HB ASN 126 1HB ASN 126 3.469 -23.214 -6.872 946 1HD2 ASN 126 1HD2 ASN 126 6.807 -22.208 -6.665 947 2HD2 ASN 126 2HD2 ASN 126 7.429 -23.370 -7.783 948 H TRP 127 H TRP 127 2.370 -21.690 -7.430 949 HA TRP 127 HA TRP 127 1.079 -19.606 -5.807 950 1HB TRP 127 2HB TRP 127 -0.398 -19.641 -8.052 951 2HB TRP 127 1HB TRP 127 1.069 -18.675 -7.890 952 HD1 TRP 127 HD TRP 127 -0.241 -21.863 -9.557 953 HE1 TRP 127 1HE TRP 127 1.444 -22.612 -11.347 954 HE3 TRP 127 3HE TRP 127 3.508 -18.528 -8.578 955 HZ2 TRP 127 2HZ TRP 127 4.029 -21.880 -12.231 956 HZ3 TRP 127 3HZ TRP 127 5.555 -18.621 -9.939 957 HH2 TRP 127 HH TRP 127 5.809 -20.263 -11.727 958 H VAL 128 H VAL 128 -0.447 -20.274 -4.496 959 HA VAL 128 HA VAL 128 -1.919 -22.734 -5.051 960 HB VAL 128 HB VAL 128 -2.072 -20.921 -2.630 961 1HG1 VAL 128 1HG1 VAL 128 -4.078 -22.269 -2.931 962 2HG1 VAL 128 2HG1 VAL 128 -3.151 -22.839 -1.543 963 3HG1 VAL 128 3HG1 VAL 128 -3.095 -23.728 -3.065 964 1HG2 VAL 128 1HG2 VAL 128 0.156 -21.866 -2.839 965 2HG2 VAL 128 2HG2 VAL 128 -0.528 -23.482 -3.022 966 3HG2 VAL 128 3HG2 VAL 128 -0.704 -22.617 -1.496 967 HA PRO 129 HA PRO 129 -5.017 -20.154 -7.002 968 1HB PRO 129 2HB PRO 129 -6.818 -22.178 -7.398 969 2HB PRO 129 1HB PRO 129 -5.441 -21.861 -8.459 970 1HG PRO 129 2HG PRO 129 -5.714 -23.868 -6.257 971 2HG PRO 129 1HG PRO 129 -4.987 -24.058 -7.865 972 1HD PRO 129 2HD PRO 129 -3.481 -23.697 -5.670 973 2HD PRO 129 1HD PRO 129 -3.023 -23.003 -7.239 974 H ASN 130 H ASN 130 -6.662 -19.020 -6.210 975 HA ASN 130 HA ASN 130 -7.736 -19.745 -3.602 976 1HB ASN 130 2HB ASN 130 -6.975 -17.398 -4.184 977 2HB ASN 130 1HB ASN 130 -8.352 -17.296 -5.275 978 1HD2 ASN 130 1HD2 ASN 130 -10.326 -16.829 -4.474 979 2HD2 ASN 130 2HD2 ASN 130 -10.645 -16.569 -2.785 980 H MET 131 H MET 131 -9.856 -20.339 -3.234 981 HA MET 131 HA MET 131 -11.118 -21.671 -5.405 982 1HB MET 131 2HB MET 131 -12.119 -21.110 -2.611 983 2HB MET 131 1HB MET 131 -12.930 -22.159 -3.765 984 1HG MET 131 2HG MET 131 -10.875 -23.561 -3.828 985 2HG MET 131 1HG MET 131 -10.218 -22.565 -2.531 986 1HE MET 131 1HE MET 131 -11.340 -22.387 -0.098 987 2HE MET 131 2HE MET 131 -12.802 -23.261 0.358 988 3HE MET 131 3HE MET 131 -12.885 -21.972 -0.842 989 H ASP 132 H ASP 132 -11.818 -18.726 -3.624 990 HA ASP 132 HA ASP 132 -13.157 -16.949 -4.020 991 1HB ASP 132 2HB ASP 132 -12.616 -17.968 -6.751 992 2HB ASP 132 1HB ASP 132 -13.968 -16.853 -6.584 993 H LEU 133 H LEU 133 -15.323 -16.362 -5.256 994 HA LEU 133 HA LEU 133 -17.362 -18.216 -5.627 995 1HB LEU 133 2HB LEU 133 -16.746 -18.447 -3.068 996 2HB LEU 133 1HB LEU 133 -17.632 -16.947 -2.910 997 HG LEU 133 HG LEU 133 -18.882 -19.112 -2.411 998 1HD1 LEU 133 1HD1 LEU 133 -20.047 -17.232 -4.453 999 2HD1 LEU 133 2HD1 LEU 133 -20.024 -16.985 -2.708 1000 3HD1 LEU 133 3HD1 LEU 133 -20.959 -18.310 -3.398 1001 1HD2 LEU 133 1HD2 LEU 133 -18.829 -19.288 -5.418 1002 2HD2 LEU 133 2HD2 LEU 133 -19.839 -20.266 -4.352 1003 3HD2 LEU 133 3HD2 LEU 133 -18.083 -20.417 -4.288 1004 H VAL 134 H VAL 134 -19.279 -17.055 -6.234 1005 HA VAL 134 HA VAL 134 -18.944 -14.417 -7.040 1006 HB VAL 134 HB VAL 134 -20.653 -15.763 -8.063 1007 1HG1 VAL 134 1HG1 VAL 134 -22.727 -16.382 -6.918 1008 2HG1 VAL 134 2HG1 VAL 134 -22.079 -15.739 -5.409 1009 3HG1 VAL 134 3HG1 VAL 134 -21.315 -17.133 -6.173 1010 1HG2 VAL 134 1HG2 VAL 134 -21.002 -13.364 -8.116 1011 2HG2 VAL 134 2HG2 VAL 134 -21.878 -13.439 -6.587 1012 3HG2 VAL 134 3HG2 VAL 134 -22.548 -14.208 -8.027 1013 H ILE 135 H ILE 135 -18.341 -12.898 -5.657 1014 HA ILE 135 HA ILE 135 -19.175 -12.784 -2.946 1015 HB ILE 135 HB ILE 135 -17.939 -10.716 -2.766 1016 1HG1 ILE 135 2HG1 ILE 135 -18.651 -9.740 -4.973 1017 2HG1 ILE 135 1HG1 ILE 135 -16.944 -9.550 -4.607 1018 1HG2 ILE 135 1HG2 ILE 135 -16.510 -12.746 -4.469 1019 2HG2 ILE 135 2HG2 ILE 135 -16.681 -12.773 -2.713 1020 3HG2 ILE 135 3HG2 ILE 135 -15.732 -11.503 -3.486 1021 1HD1 ILE 135 1HD1 ILE 135 -17.294 -10.102 -6.943 1022 2HD1 ILE 135 2HD1 ILE 135 -18.129 -11.586 -6.482 1023 3HD1 ILE 135 3HD1 ILE 135 -16.414 -11.390 -6.119 1024 H GLY 136 H GLY 136 -21.254 -12.427 -5.190 1025 1HA GLY 136 2HA GLY 136 -23.393 -11.531 -4.839 1026 2HA GLY 136 1HA GLY 136 -22.687 -10.327 -3.772 1027 H GLU 137 H GLU 137 -23.268 -11.223 -7.107 1028 HA GLU 137 HA GLU 137 -22.351 -8.822 -8.278 1029 1HB GLU 137 2HB GLU 137 -22.960 -10.893 -9.551 1030 2HB GLU 137 1HB GLU 137 -24.651 -10.568 -9.196 1031 1HG GLU 137 2HG GLU 137 -24.518 -8.470 -10.425 1032 2HG GLU 137 1HG GLU 137 -22.813 -8.766 -10.759 1033 H VAL 138 H VAL 138 -23.314 -6.849 -8.445 1034 HA VAL 138 HA VAL 138 -24.810 -5.916 -6.375 1035 HB VAL 138 HB VAL 138 -24.848 -4.751 -9.163 1036 1HG1 VAL 138 1HG1 VAL 138 -25.294 -2.631 -8.021 1037 2HG1 VAL 138 2HG1 VAL 138 -25.362 -3.476 -6.477 1038 3HG1 VAL 138 3HG1 VAL 138 -26.569 -3.807 -7.719 1039 1HG2 VAL 138 1HG2 VAL 138 -22.965 -3.384 -8.397 1040 2HG2 VAL 138 2HG2 VAL 138 -22.573 -5.102 -8.359 1041 3HG2 VAL 138 3HG2 VAL 138 -22.959 -4.252 -6.864 1042 H LEU 139 H LEU 139 -26.785 -6.195 -5.707 1043 HA LEU 139 HA LEU 139 -28.763 -7.474 -7.355 1044 1HB LEU 139 2HB LEU 139 -28.906 -6.411 -4.532 1045 2HB LEU 139 1HB LEU 139 -30.190 -7.306 -5.320 1046 HG LEU 139 HG LEU 139 -27.434 -8.369 -4.700 1047 1HD1 LEU 139 1HD1 LEU 139 -28.599 -9.791 -3.087 1048 2HD1 LEU 139 2HD1 LEU 139 -30.112 -8.959 -3.448 1049 3HD1 LEU 139 3HD1 LEU 139 -28.778 -8.082 -2.697 1050 1HD2 LEU 139 1HD2 LEU 139 -28.346 -10.528 -5.413 1051 2HD2 LEU 139 2HD2 LEU 139 -28.347 -9.355 -6.730 1052 3HD2 LEU 139 3HD2 LEU 139 -29.849 -9.735 -5.887 1053 H ALA 140 H ALA 140 -30.594 -6.602 -8.187 1054 HA ALA 140 HA ALA 140 -31.229 -3.819 -7.688 1055 1HB ALA 140 1HB ALA 140 -31.166 -3.198 -10.043 1056 2HB ALA 140 2HB ALA 140 -30.548 -4.796 -10.458 1057 3HB ALA 140 3HB ALA 140 -29.571 -3.698 -9.482 1058 H GLU 141 H GLU 141 -33.329 -3.368 -7.971 1059 HA GLU 141 HA GLU 141 -35.140 -5.564 -8.464 1060 1HB GLU 141 2HB GLU 141 -35.677 -2.644 -7.854 1061 2HB GLU 141 1HB GLU 141 -36.901 -3.900 -7.934 1062 1HG GLU 141 2HG GLU 141 -36.449 -3.490 -5.650 1063 2HG GLU 141 1HG GLU 141 -35.740 -5.050 -6.051 1064 H VAL 142 H VAL 142 -34.359 -2.423 -9.853 1065 HA VAL 142 HA VAL 142 -34.792 -3.299 -12.508 1066 HB VAL 142 HB VAL 142 -37.125 -3.090 -12.092 1067 1HG1 VAL 142 1HG1 VAL 142 -38.184 -1.067 -11.205 1068 2HG1 VAL 142 2HG1 VAL 142 -36.593 -0.353 -10.943 1069 3HG1 VAL 142 3HG1 VAL 142 -37.073 -1.790 -10.040 1070 1HG2 VAL 142 1HG2 VAL 142 -37.797 -1.297 -13.615 1071 2HG2 VAL 142 2HG2 VAL 142 -36.398 -2.180 -14.224 1072 3HG2 VAL 142 3HG2 VAL 142 -36.186 -0.591 -13.490 Start of MODEL 9 1 1H SER 1 1HT SER 1 -5.532 -16.670 -0.957 2 2H SER 1 2HT SER 1 -5.858 -15.155 -1.650 3 3H SER 1 3HT SER 1 -7.061 -16.347 -1.613 4 HA SER 1 HA SER 1 -7.334 -16.195 0.679 5 1HB SER 1 2HB SER 1 -4.888 -14.405 0.662 6 2HB SER 1 1HB SER 1 -5.853 -14.810 2.082 7 HG SER 1 HG SER 1 -4.857 -16.648 2.216 8 HA PRO 2 HA PRO 2 -9.707 -12.589 -0.690 9 1HB PRO 2 2HB PRO 2 -11.408 -13.352 1.593 10 2HB PRO 2 1HB PRO 2 -11.831 -13.189 -0.113 11 1HG PRO 2 2HG PRO 2 -11.681 -15.592 1.076 12 2HG PRO 2 1HG PRO 2 -11.203 -15.352 -0.615 13 1HD PRO 2 2HD PRO 2 -9.484 -15.600 1.826 14 2HD PRO 2 1HD PRO 2 -9.249 -16.289 0.205 15 H GLU 3 H GLU 3 -8.521 -13.448 2.440 16 HA GLU 3 HA GLU 3 -9.044 -11.235 3.981 17 1HB GLU 3 2HB GLU 3 -6.380 -12.637 4.037 18 2HB GLU 3 1HB GLU 3 -7.244 -11.893 5.374 19 1HG GLU 3 2HG GLU 3 -7.894 -14.458 3.953 20 2HG GLU 3 1HG GLU 3 -7.429 -14.234 5.637 21 H ILE 4 H ILE 4 -5.871 -11.683 2.327 22 HA ILE 4 HA ILE 4 -5.274 -8.928 2.500 23 HB ILE 4 HB ILE 4 -3.590 -10.824 2.337 24 1HG1 ILE 4 2HG1 ILE 4 -1.950 -9.462 1.120 25 2HG1 ILE 4 1HG1 ILE 4 -3.256 -8.506 0.426 26 1HG2 ILE 4 1HG2 ILE 4 -4.516 -12.023 0.453 27 2HG2 ILE 4 2HG2 ILE 4 -2.878 -11.488 0.080 28 3HG2 ILE 4 3HG2 ILE 4 -4.263 -10.625 -0.591 29 1HD1 ILE 4 1HD1 ILE 4 -2.617 -8.682 3.365 30 2HD1 ILE 4 2HD1 ILE 4 -3.842 -7.662 2.612 31 3HD1 ILE 4 3HD1 ILE 4 -2.134 -7.371 2.287 32 H MET 5 H MET 5 -7.212 -10.701 0.382 33 HA MET 5 HA MET 5 -6.775 -9.242 -2.019 34 1HB MET 5 2HB MET 5 -7.832 -11.577 -1.674 35 2HB MET 5 1HB MET 5 -9.310 -10.697 -1.310 36 1HG MET 5 2HG MET 5 -9.313 -9.692 -3.501 37 2HG MET 5 1HG MET 5 -7.763 -10.445 -3.878 38 1HE MET 5 1HE MET 5 -10.238 -10.707 -5.810 39 2HE MET 5 2HE MET 5 -10.184 -12.425 -6.208 40 3HE MET 5 3HE MET 5 -8.689 -11.496 -6.106 41 H LYS 6 H LYS 6 -8.690 -8.810 0.829 42 HA LYS 6 HA LYS 6 -10.016 -6.459 -0.321 43 1HB LYS 6 2HB LYS 6 -10.382 -7.743 2.396 44 2HB LYS 6 1HB LYS 6 -11.374 -6.466 1.704 45 1HG LYS 6 2HG LYS 6 -12.330 -7.904 0.129 46 2HG LYS 6 1HG LYS 6 -11.087 -9.131 0.369 47 1HD LYS 6 2HD LYS 6 -11.938 -9.404 2.710 48 2HD LYS 6 1HD LYS 6 -13.283 -8.345 2.275 49 1HE LYS 6 2HE LYS 6 -14.031 -9.885 0.599 50 2HE LYS 6 1HE LYS 6 -12.594 -10.884 0.809 51 1HZ LYS 6 1HZ LYS 6 -14.745 -10.454 2.812 52 2HZ LYS 6 2HZ LYS 6 -13.327 -11.346 3.084 53 3HZ LYS 6 3HZ LYS 6 -14.452 -11.876 1.934 54 H ASN 7 H ASN 7 -8.376 -4.955 -0.400 55 HA ASN 7 HA ASN 7 -6.450 -4.557 1.627 56 1HB ASN 7 2HB ASN 7 -6.105 -3.779 -0.669 57 2HB ASN 7 1HB ASN 7 -7.446 -2.651 -0.505 58 1HD2 ASN 7 1HD2 ASN 7 -6.107 -0.904 -0.995 59 2HD2 ASN 7 2HD2 ASN 7 -4.942 -0.294 0.133 60 H LEU 8 H LEU 8 -6.379 -3.191 3.359 61 HA LEU 8 HA LEU 8 -8.764 -2.640 4.699 62 1HB LEU 8 2HB LEU 8 -5.980 -1.568 5.113 63 2HB LEU 8 1HB LEU 8 -7.312 -1.163 6.175 64 HG LEU 8 HG LEU 8 -7.576 -3.668 6.570 65 1HD1 LEU 8 1HD1 LEU 8 -5.603 -5.048 6.186 66 2HD1 LEU 8 2HD1 LEU 8 -4.823 -3.710 5.342 67 3HD1 LEU 8 3HD1 LEU 8 -6.272 -4.453 4.666 68 1HD2 LEU 8 1HD2 LEU 8 -6.632 -2.142 8.217 69 2HD2 LEU 8 2HD2 LEU 8 -5.041 -2.308 7.474 70 3HD2 LEU 8 3HD2 LEU 8 -5.804 -3.699 8.248 71 H SER 9 H SER 9 -6.666 -0.505 2.802 72 HA SER 9 HA SER 9 -8.069 1.878 3.287 73 1HB SER 9 2HB SER 9 -6.506 1.123 0.805 74 2HB SER 9 1HB SER 9 -6.906 2.758 1.333 75 HG SER 9 HG SER 9 -4.769 1.391 1.951 76 H ASN 10 H ASN 10 -8.558 -0.698 0.942 77 HA ASN 10 HA ASN 10 -10.517 0.708 -0.603 78 1HB ASN 10 2HB ASN 10 -9.761 -2.219 -0.475 79 2HB ASN 10 1HB ASN 10 -10.981 -1.587 -1.572 80 1HD2 ASN 10 1HD2 ASN 10 -9.847 -2.201 -3.387 81 2HD2 ASN 10 2HD2 ASN 10 -8.405 -1.398 -3.899 82 H ASN 11 H ASN 11 -10.586 -1.596 2.054 83 HA ASN 11 HA ASN 11 -13.388 -2.069 1.972 84 1HB ASN 11 2HB ASN 11 -11.797 -3.590 3.116 85 2HB ASN 11 1HB ASN 11 -11.492 -2.341 4.318 86 1HD2 ASN 11 1HD2 ASN 11 -12.215 -3.638 5.994 87 2HD2 ASN 11 2HD2 ASN 11 -13.888 -4.025 6.225 88 H PHE 12 H PHE 12 -11.447 -0.190 4.316 89 HA PHE 12 HA PHE 12 -13.408 1.345 5.443 90 1HB PHE 12 2HB PHE 12 -10.582 2.028 4.715 91 2HB PHE 12 1HB PHE 12 -11.627 3.238 5.449 92 HD1 PHE 12 1HD PHE 12 -12.718 2.660 7.677 93 HD2 PHE 12 2HD PHE 12 -9.462 0.469 6.037 94 HE1 PHE 12 1HE PHE 12 -12.195 1.774 9.911 95 HE2 PHE 12 2HE PHE 12 -8.935 -0.427 8.266 96 HZ PHE 12 HZ PHE 12 -10.303 0.227 10.206 97 H GLY 13 H GLY 13 -11.515 2.726 2.662 98 1HA GLY 13 2HA GLY 13 -12.114 4.322 1.141 99 2HA GLY 13 1HA GLY 13 -13.641 3.463 1.074 100 H LYS 14 H LYS 14 -12.521 5.086 3.990 101 HA LYS 14 HA LYS 14 -14.911 6.699 3.982 102 1HB LYS 14 2HB LYS 14 -14.174 5.512 6.014 103 2HB LYS 14 1HB LYS 14 -12.695 6.459 6.028 104 1HG LYS 14 2HG LYS 14 -13.923 8.474 6.475 105 2HG LYS 14 1HG LYS 14 -15.460 7.624 6.280 106 1HD LYS 14 2HD LYS 14 -14.911 6.207 8.204 107 2HD LYS 14 1HD LYS 14 -13.389 7.075 8.404 108 1HE LYS 14 2HE LYS 14 -16.107 8.369 8.529 109 2HE LYS 14 1HE LYS 14 -15.218 7.807 9.942 110 1HZ LYS 14 1HZ LYS 14 -13.404 9.327 9.305 111 2HZ LYS 14 2HZ LYS 14 -14.852 10.140 9.652 112 3HZ LYS 14 3HZ LYS 14 -14.363 9.929 8.044 113 H ALA 15 H ALA 15 -11.433 7.119 3.691 114 HA ALA 15 HA ALA 15 -11.870 9.869 2.825 115 1HB ALA 15 1HB ALA 15 -10.080 10.722 4.275 116 2HB ALA 15 2HB ALA 15 -9.955 9.141 5.042 117 3HB ALA 15 3HB ALA 15 -11.437 10.086 5.203 118 H MET 16 H MET 16 -11.353 8.091 1.006 119 HA MET 16 HA MET 16 -8.582 7.484 0.611 120 1HB MET 16 2HB MET 16 -10.341 6.086 -0.364 121 2HB MET 16 1HB MET 16 -10.919 7.444 -1.316 122 1HG MET 16 2HG MET 16 -8.798 7.482 -2.537 123 2HG MET 16 1HG MET 16 -8.236 6.106 -1.589 124 1HE MET 16 1HE MET 16 -10.696 3.277 -2.716 125 2HE MET 16 2HE MET 16 -10.860 4.353 -1.329 126 3HE MET 16 3HE MET 16 -9.284 3.674 -1.735 127 H ASP 17 H ASP 17 -10.805 9.957 -0.485 128 HA ASP 17 HA ASP 17 -9.226 11.186 -2.439 129 1HB ASP 17 2HB ASP 17 -11.599 11.654 -2.208 130 2HB ASP 17 1HB ASP 17 -11.324 12.368 -0.620 131 H GLN 18 H GLN 18 -9.121 11.454 1.040 132 HA GLN 18 HA GLN 18 -7.644 13.953 0.821 133 1HB GLN 18 2HB GLN 18 -8.819 12.540 3.201 134 2HB GLN 18 1HB GLN 18 -7.767 13.940 3.350 135 1HG GLN 18 2HG GLN 18 -9.480 15.010 1.670 136 2HG GLN 18 1HG GLN 18 -10.553 13.768 2.310 137 1HE2 GLN 18 1HE2 GLN 18 -9.086 13.884 4.928 138 2HE2 GLN 18 2HE2 GLN 18 -9.702 15.301 5.702 139 H CYS 19 H CYS 19 -7.077 10.587 1.562 140 HA CYS 19 HA CYS 19 -4.431 11.075 2.549 141 1HB CYS 19 2HB CYS 19 -4.109 8.739 2.555 142 2HB CYS 19 1HB CYS 19 -5.810 8.950 2.942 143 H LYS 20 H LYS 20 -5.951 10.456 -0.522 144 HA LYS 20 HA LYS 20 -3.763 10.263 -2.218 145 1HB LYS 20 2HB LYS 20 -5.675 9.904 -3.387 146 2HB LYS 20 1HB LYS 20 -6.601 11.015 -2.406 147 1HG LYS 20 2HG LYS 20 -6.663 11.905 -4.557 148 2HG LYS 20 1HG LYS 20 -5.472 12.878 -3.699 149 1HD LYS 20 2HD LYS 20 -3.669 11.705 -4.755 150 2HD LYS 20 1HD LYS 20 -4.787 10.550 -5.483 151 1HE LYS 20 2HE LYS 20 -4.642 13.510 -6.062 152 2HE LYS 20 1HE LYS 20 -4.073 12.214 -7.115 153 1HZ LYS 20 1HZ LYS 20 -6.401 11.389 -7.176 154 2HZ LYS 20 2HZ LYS 20 -6.201 12.921 -7.877 155 3HZ LYS 20 3HZ LYS 20 -6.883 12.780 -6.329 156 H ASP 21 H ASP 21 -5.505 13.167 -1.147 157 HA ASP 21 HA ASP 21 -3.775 14.955 -2.516 158 1HB ASP 21 2HB ASP 21 -6.098 15.530 -1.872 159 2HB ASP 21 1HB ASP 21 -5.607 15.539 -0.181 160 H GLU 22 H GLU 22 -3.904 13.790 0.830 161 HA GLU 22 HA GLU 22 -1.997 15.608 1.846 162 1HB GLU 22 2HB GLU 22 -3.685 14.030 3.077 163 2HB GLU 22 1HB GLU 22 -2.351 12.884 3.032 164 1HG GLU 22 2HG GLU 22 -0.927 14.561 4.157 165 2HG GLU 22 1HG GLU 22 -2.335 15.613 4.292 166 H LEU 23 H LEU 23 -1.677 12.407 0.381 167 HA LEU 23 HA LEU 23 1.142 12.243 0.994 168 1HB LEU 23 2HB LEU 23 -0.549 10.545 -0.842 169 2HB LEU 23 1HB LEU 23 1.116 10.206 -0.409 170 HG LEU 23 HG LEU 23 -1.350 9.992 1.268 171 1HD1 LEU 23 1HD1 LEU 23 -0.497 8.025 0.042 172 2HD1 LEU 23 2HD1 LEU 23 -0.443 7.817 1.793 173 3HD1 LEU 23 3HD1 LEU 23 1.035 8.185 0.903 174 1HD2 LEU 23 1HD2 LEU 23 0.409 11.457 2.327 175 2HD2 LEU 23 2HD2 LEU 23 1.412 10.002 2.426 176 3HD2 LEU 23 3HD2 LEU 23 -0.142 10.064 3.265 177 H SER 24 H SER 24 -0.596 13.976 -1.123 178 HA SER 24 HA SER 24 -0.094 15.292 -2.893 179 1HB SER 24 2HB SER 24 1.968 15.776 -1.587 180 2HB SER 24 1HB SER 24 2.769 14.426 -2.385 181 HG SER 24 HG SER 24 2.075 15.662 -4.403 182 H LEU 25 H LEU 25 -0.663 12.363 -3.172 183 HA LEU 25 HA LEU 25 0.735 11.200 -5.282 184 1HB LEU 25 2HB LEU 25 -2.142 11.096 -4.451 185 2HB LEU 25 1HB LEU 25 -1.618 10.273 -5.902 186 HG LEU 25 HG LEU 25 -0.654 8.578 -4.760 187 1HD1 LEU 25 1HD1 LEU 25 0.536 8.783 -2.647 188 2HD1 LEU 25 2HD1 LEU 25 0.059 10.478 -2.533 189 3HD1 LEU 25 3HD1 LEU 25 1.139 9.950 -3.825 190 1HD2 LEU 25 1HD2 LEU 25 -1.724 8.323 -2.449 191 2HD2 LEU 25 2HD2 LEU 25 -2.784 8.407 -3.854 192 3HD2 LEU 25 3HD2 LEU 25 -2.563 9.825 -2.826 193 HA PRO 26 HA PRO 26 -0.335 14.060 -8.608 194 1HB PRO 26 2HB PRO 26 1.432 12.375 -10.215 195 2HB PRO 26 1HB PRO 26 1.604 14.080 -9.791 196 1HG PRO 26 2HG PRO 26 3.233 12.182 -8.776 197 2HG PRO 26 1HG PRO 26 2.753 13.615 -7.844 198 1HD PRO 26 2HD PRO 26 1.638 10.836 -7.741 199 2HD PRO 26 1HD PRO 26 2.080 11.909 -6.395 200 H ASP 27 H ASP 27 -1.414 13.823 -10.634 201 HA ASP 27 HA ASP 27 -3.336 11.752 -10.571 202 1HB ASP 27 2HB ASP 27 -4.162 12.750 -12.696 203 2HB ASP 27 1HB ASP 27 -3.984 13.900 -11.378 204 H SER 28 H SER 28 -0.294 12.008 -12.198 205 HA SER 28 HA SER 28 -0.752 10.016 -14.166 206 1HB SER 28 2HB SER 28 1.832 9.845 -14.020 207 2HB SER 28 1HB SER 28 1.124 11.375 -14.541 208 HG SER 28 HG SER 28 1.674 12.304 -12.683 209 H VAL 29 H VAL 29 0.387 9.924 -10.838 210 HA VAL 29 HA VAL 29 1.064 7.161 -10.797 211 HB VAL 29 HB VAL 29 0.406 9.027 -8.505 212 1HG1 VAL 29 1HG1 VAL 29 2.158 6.666 -8.092 213 2HG1 VAL 29 2HG1 VAL 29 0.429 6.350 -8.291 214 3HG1 VAL 29 3HG1 VAL 29 0.983 7.425 -7.008 215 1HG2 VAL 29 1HG2 VAL 29 3.053 8.207 -9.691 216 2HG2 VAL 29 2HG2 VAL 29 2.840 9.205 -8.254 217 3HG2 VAL 29 3HG2 VAL 29 2.297 9.794 -9.825 218 H VAL 30 H VAL 30 -1.730 8.996 -9.566 219 HA VAL 30 HA VAL 30 -3.175 6.819 -8.569 220 HB VAL 30 HB VAL 30 -5.127 8.217 -8.578 221 1HG1 VAL 30 1HG1 VAL 30 -4.163 10.270 -7.504 222 2HG1 VAL 30 2HG1 VAL 30 -2.570 9.652 -7.938 223 3HG1 VAL 30 3HG1 VAL 30 -3.609 8.730 -6.851 224 1HG2 VAL 30 1HG2 VAL 30 -5.168 10.424 -9.636 225 2HG2 VAL 30 2HG2 VAL 30 -4.988 9.136 -10.828 226 3HG2 VAL 30 3HG2 VAL 30 -3.592 10.105 -10.359 227 H ALA 31 H ALA 31 -2.907 8.142 -11.798 228 HA ALA 31 HA ALA 31 -5.057 6.812 -13.027 229 1HB ALA 31 1HB ALA 31 -2.438 7.642 -14.247 230 2HB ALA 31 2HB ALA 31 -3.839 8.697 -14.030 231 3HB ALA 31 3HB ALA 31 -3.936 7.308 -15.120 232 H ASP 32 H ASP 32 -1.594 5.958 -12.881 233 HA ASP 32 HA ASP 32 -1.871 3.496 -14.248 234 1HB ASP 32 2HB ASP 32 0.303 4.599 -13.972 235 2HB ASP 32 1HB ASP 32 0.222 4.345 -12.230 236 H LEU 33 H LEU 33 -2.068 4.418 -10.909 237 HA LEU 33 HA LEU 33 -2.115 1.902 -9.692 238 1HB LEU 33 2HB LEU 33 -3.508 4.446 -8.859 239 2HB LEU 33 1HB LEU 33 -3.503 2.995 -7.882 240 HG LEU 33 HG LEU 33 -1.354 4.989 -8.322 241 1HD1 LEU 33 1HD1 LEU 33 -2.609 4.897 -6.258 242 2HD1 LEU 33 2HD1 LEU 33 -0.911 4.502 -5.991 243 3HD1 LEU 33 3HD1 LEU 33 -2.119 3.219 -6.021 244 1HD2 LEU 33 1HD2 LEU 33 0.431 3.458 -7.874 245 2HD2 LEU 33 2HD2 LEU 33 -0.428 2.888 -9.304 246 3HD2 LEU 33 3HD2 LEU 33 -0.691 2.104 -7.746 247 H TYR 34 H TYR 34 -4.889 3.911 -10.689 248 HA TYR 34 HA TYR 34 -6.768 1.850 -10.074 249 1HB TYR 34 2HB TYR 34 -7.254 4.305 -11.760 250 2HB TYR 34 1HB TYR 34 -8.456 3.346 -10.902 251 HD1 TYR 34 1HD TYR 34 -6.864 3.011 -8.315 252 HD2 TYR 34 2HD TYR 34 -7.679 6.406 -10.745 253 HE1 TYR 34 1HE TYR 34 -6.575 4.470 -6.359 254 HE2 TYR 34 2HE TYR 34 -7.394 7.877 -8.796 255 HH TYR 34 HH TYR 34 -6.016 6.789 -5.869 256 H ASN 35 H ASN 35 -4.628 1.566 -12.454 257 HA ASN 35 HA ASN 35 -6.164 1.268 -14.801 258 1HB ASN 35 2HB ASN 35 -3.735 1.512 -14.878 259 2HB ASN 35 1HB ASN 35 -3.535 -0.016 -14.028 260 1HD2 ASN 35 1HD2 ASN 35 -2.264 -0.758 -15.770 261 2HD2 ASN 35 2HD2 ASN 35 -3.002 -1.299 -17.243 262 H PHE 36 H PHE 36 -7.372 -0.348 -15.551 263 HA PHE 36 HA PHE 36 -8.218 -2.386 -13.730 264 1HB PHE 36 2HB PHE 36 -8.927 -1.982 -16.644 265 2HB PHE 36 1HB PHE 36 -9.773 -3.034 -15.517 266 HD1 PHE 36 1HD PHE 36 -11.181 -2.095 -13.762 267 HD2 PHE 36 2HD PHE 36 -9.243 0.397 -16.615 268 HE1 PHE 36 1HE PHE 36 -12.670 -0.236 -13.145 269 HE2 PHE 36 2HE PHE 36 -10.727 2.261 -16.002 270 HZ PHE 36 HZ PHE 36 -12.445 1.946 -14.263 271 H TRP 37 H TRP 37 -6.087 -2.234 -16.483 272 HA TRP 37 HA TRP 37 -6.005 -5.094 -16.845 273 1HB TRP 37 2HB TRP 37 -4.386 -2.861 -18.079 274 2HB TRP 37 1HB TRP 37 -4.229 -4.558 -18.521 275 HD1 TRP 37 HD TRP 37 -6.535 -5.700 -19.586 276 HE1 TRP 37 1HE TRP 37 -8.287 -4.644 -21.148 277 HE3 TRP 37 3HE TRP 37 -5.518 -0.759 -18.725 278 HZ2 TRP 37 2HZ TRP 37 -9.112 -2.063 -21.921 279 HZ3 TRP 37 3HZ TRP 37 -6.836 0.939 -19.921 280 HH2 TRP 37 HH TRP 37 -8.596 0.299 -21.486 281 H LYS 38 H LYS 38 -4.841 -6.408 -15.639 282 HA LYS 38 HA LYS 38 -2.895 -5.338 -13.807 283 1HB LYS 38 2HB LYS 38 -2.760 -7.754 -13.027 284 2HB LYS 38 1HB LYS 38 -4.309 -6.948 -12.844 285 1HG LYS 38 2HG LYS 38 -5.201 -8.740 -13.813 286 2HG LYS 38 1HG LYS 38 -4.506 -8.147 -15.322 287 1HD LYS 38 2HD LYS 38 -3.881 -10.459 -15.016 288 2HD LYS 38 1HD LYS 38 -2.448 -9.444 -14.832 289 1HE LYS 38 2HE LYS 38 -2.869 -9.525 -12.340 290 2HE LYS 38 1HE LYS 38 -4.070 -10.773 -12.670 291 1HZ LYS 38 1HZ LYS 38 -2.028 -11.823 -12.116 292 2HZ LYS 38 2HZ LYS 38 -1.155 -10.889 -13.230 293 3HZ LYS 38 3HZ LYS 38 -2.264 -12.051 -13.779 294 H ASP 39 H ASP 39 -1.561 -4.624 -15.700 295 HA ASP 39 HA ASP 39 0.049 -6.130 -17.264 296 1HB ASP 39 2HB ASP 39 0.212 -3.685 -17.068 297 2HB ASP 39 1HB ASP 39 1.057 -3.871 -15.533 298 H ASP 40 H ASP 40 0.652 -5.793 -13.717 299 HA ASP 40 HA ASP 40 1.892 -7.006 -12.294 300 1HB ASP 40 2HB ASP 40 2.111 -8.867 -14.644 301 2HB ASP 40 1HB ASP 40 3.079 -9.128 -13.197 302 H TYR 41 H TYR 41 3.052 -5.007 -12.456 303 HA TYR 41 HA TYR 41 5.732 -5.303 -13.638 304 1HB TYR 41 2HB TYR 41 5.694 -2.726 -13.572 305 2HB TYR 41 1HB TYR 41 4.746 -3.526 -14.820 306 HD1 TYR 41 1HD TYR 41 2.442 -3.171 -14.991 307 HD2 TYR 41 2HD TYR 41 4.479 -1.878 -11.488 308 HE1 TYR 41 1HE TYR 41 0.422 -1.979 -14.269 309 HE2 TYR 41 2HE TYR 41 2.454 -0.687 -10.754 310 HH TYR 41 HH TYR 41 0.397 0.362 -11.956 311 H VAL 42 H VAL 42 7.285 -3.625 -12.447 312 HA VAL 42 HA VAL 42 7.103 -4.299 -9.612 313 HB VAL 42 HB VAL 42 9.387 -2.831 -10.929 314 1HG1 VAL 42 1HG1 VAL 42 9.282 -2.862 -8.460 315 2HG1 VAL 42 2HG1 VAL 42 10.690 -3.718 -9.088 316 3HG1 VAL 42 3HG1 VAL 42 9.295 -4.625 -8.504 317 1HG2 VAL 42 1HG2 VAL 42 9.090 -4.849 -12.220 318 2HG2 VAL 42 2HG2 VAL 42 9.000 -5.818 -10.750 319 3HG2 VAL 42 3HG2 VAL 42 10.511 -5.019 -11.189 320 H MET 43 H MET 43 6.233 -2.898 -8.260 321 HA MET 43 HA MET 43 5.506 -0.267 -8.901 322 1HB MET 43 2HB MET 43 4.507 -1.698 -7.113 323 2HB MET 43 1HB MET 43 5.957 -1.438 -6.155 324 1HG MET 43 2HG MET 43 5.494 0.884 -5.948 325 2HG MET 43 1HG MET 43 4.174 0.778 -7.114 326 1HE MET 43 1HE MET 43 1.903 -0.571 -6.651 327 2HE MET 43 2HE MET 43 1.584 -1.444 -5.151 328 3HE MET 43 3HE MET 43 2.853 -2.001 -6.245 329 H THR 44 H THR 44 7.026 1.122 -9.555 330 HA THR 44 HA THR 44 9.554 1.262 -8.098 331 HB THR 44 HB THR 44 10.347 2.592 -10.026 332 HG1 THR 44 1HG THR 44 8.927 3.417 -11.360 333 1HG2 THR 44 1HG2 THR 44 10.380 0.036 -9.985 334 2HG2 THR 44 2HG2 THR 44 10.516 0.799 -11.566 335 3HG2 THR 44 3HG2 THR 44 8.979 0.111 -11.049 336 H ASP 45 H ASP 45 6.640 3.045 -8.626 337 HA ASP 45 HA ASP 45 7.736 5.577 -7.753 338 1HB ASP 45 2HB ASP 45 5.996 5.772 -9.356 339 2HB ASP 45 1HB ASP 45 4.949 4.698 -8.447 340 H ARG 46 H ARG 46 7.586 6.498 -5.848 341 HA ARG 46 HA ARG 46 7.181 4.726 -3.634 342 1HB ARG 46 2HB ARG 46 7.997 7.644 -3.737 343 2HB ARG 46 1HB ARG 46 7.826 6.733 -2.249 344 1HG ARG 46 2HG ARG 46 10.107 6.761 -2.753 345 2HG ARG 46 1HG ARG 46 9.566 5.142 -3.162 346 1HD ARG 46 2HD ARG 46 9.622 5.633 -5.483 347 2HD ARG 46 1HD ARG 46 9.862 7.357 -5.178 348 HE ARG 46 HE ARG 46 11.991 6.308 -3.949 349 1HH1 ARG 46 1HH1 ARG 46 10.680 5.652 -7.145 350 2HH1 ARG 46 2HH1 ARG 46 12.233 5.269 -7.830 351 1HH2 ARG 46 1HH2 ARG 46 14.015 5.826 -4.857 352 2HH2 ARG 46 2HH2 ARG 46 14.132 5.396 -6.538 353 H LEU 47 H LEU 47 5.213 6.997 -5.344 354 HA LEU 47 HA LEU 47 3.564 7.611 -3.049 355 1HB LEU 47 2HB LEU 47 3.323 8.284 -5.976 356 2HB LEU 47 1HB LEU 47 2.056 8.652 -4.824 357 HG LEU 47 HG LEU 47 3.225 10.650 -5.031 358 1HD1 LEU 47 1HD1 LEU 47 2.889 9.967 -2.702 359 2HD1 LEU 47 2HD1 LEU 47 4.279 11.036 -2.909 360 3HD1 LEU 47 3HD1 LEU 47 4.523 9.304 -2.678 361 1HD2 LEU 47 1HD2 LEU 47 5.090 9.819 -6.323 362 2HD2 LEU 47 2HD2 LEU 47 5.793 9.096 -4.872 363 3HD2 LEU 47 3HD2 LEU 47 5.655 10.849 -5.004 364 H ALA 48 H ALA 48 3.927 5.057 -5.180 365 HA ALA 48 HA ALA 48 1.139 4.328 -5.350 366 1HB ALA 48 1HB ALA 48 2.927 3.836 -7.083 367 2HB ALA 48 2HB ALA 48 1.861 2.500 -6.651 368 3HB ALA 48 3HB ALA 48 3.496 2.576 -5.992 369 H GLY 49 H GLY 49 3.994 2.589 -4.131 370 1HA GLY 49 2HA GLY 49 3.024 0.958 -2.243 371 2HA GLY 49 1HA GLY 49 4.468 1.911 -1.957 372 H CYS 50 H CYS 50 3.462 4.494 -1.519 373 HA CYS 50 HA CYS 50 2.427 4.198 1.093 374 1HB CYS 50 2HB CYS 50 2.985 6.545 -0.676 375 2HB CYS 50 1HB CYS 50 2.069 6.773 0.808 376 H ALA 51 H ALA 51 0.888 5.030 -1.990 377 HA ALA 51 HA ALA 51 -1.584 5.864 -0.925 378 1HB ALA 51 1HB ALA 51 -0.882 6.346 -3.220 379 2HB ALA 51 2HB ALA 51 -2.468 5.574 -3.167 380 3HB ALA 51 3HB ALA 51 -1.044 4.636 -3.624 381 H ILE 52 H ILE 52 -0.268 2.686 -1.452 382 HA ILE 52 HA ILE 52 -2.648 1.189 -1.492 383 HB ILE 52 HB ILE 52 0.028 0.394 -0.328 384 1HG1 ILE 52 2HG1 ILE 52 -1.132 -0.083 -3.085 385 2HG1 ILE 52 1HG1 ILE 52 0.134 1.081 -2.704 386 1HG2 ILE 52 1HG2 ILE 52 -2.301 -1.311 -1.208 387 2HG2 ILE 52 2HG2 ILE 52 -1.764 -1.056 0.453 388 3HG2 ILE 52 3HG2 ILE 52 -0.727 -1.914 -0.687 389 1HD1 ILE 52 1HD1 ILE 52 1.077 -0.916 -3.678 390 2HD1 ILE 52 2HD1 ILE 52 0.322 -1.909 -2.430 391 3HD1 ILE 52 3HD1 ILE 52 1.588 -0.761 -1.997 392 H ASN 53 H ASN 53 -0.792 2.567 1.142 393 HA ASN 53 HA ASN 53 -2.957 1.850 2.968 394 1HB ASN 53 2HB ASN 53 -1.382 1.296 4.775 395 2HB ASN 53 1HB ASN 53 -1.227 0.194 3.417 396 1HD2 ASN 53 1HD2 ASN 53 0.431 1.614 1.726 397 2HD2 ASN 53 2HD2 ASN 53 1.964 1.840 2.480 398 H CYS 54 H CYS 54 -3.701 3.934 2.776 399 HA CYS 54 HA CYS 54 -1.932 6.006 3.896 400 1HB CYS 54 2HB CYS 54 -3.221 7.629 2.513 401 2HB CYS 54 1HB CYS 54 -2.350 6.438 1.549 402 H LEU 55 H LEU 55 -5.296 4.908 3.650 403 HA LEU 55 HA LEU 55 -6.461 6.980 5.105 404 1HB LEU 55 2HB LEU 55 -7.409 4.919 3.694 405 2HB LEU 55 1HB LEU 55 -7.633 4.260 5.302 406 HG LEU 55 HG LEU 55 -8.773 6.899 4.381 407 1HD1 LEU 55 1HD1 LEU 55 -10.908 5.732 4.250 408 2HD1 LEU 55 2HD1 LEU 55 -10.102 4.207 4.622 409 3HD1 LEU 55 3HD1 LEU 55 -9.735 5.056 3.120 410 1HD2 LEU 55 1HD2 LEU 55 -10.167 6.719 6.375 411 2HD2 LEU 55 2HD2 LEU 55 -8.454 6.747 6.799 412 3HD2 LEU 55 3HD2 LEU 55 -9.346 5.224 6.824 413 H ALA 56 H ALA 56 -5.937 3.654 6.312 414 HA ALA 56 HA ALA 56 -6.428 4.574 9.003 415 1HB ALA 56 1HB ALA 56 -6.259 2.224 9.625 416 2HB ALA 56 2HB ALA 56 -5.681 1.826 8.007 417 3HB ALA 56 3HB ALA 56 -7.322 2.428 8.233 418 H THR 57 H THR 57 -3.718 4.214 7.006 419 HA THR 57 HA THR 57 -1.862 3.681 9.140 420 HB THR 57 HB THR 57 -0.998 4.629 6.425 421 HG1 THR 57 1HG THR 57 -1.206 1.960 6.488 422 1HG2 THR 57 1HG2 THR 57 0.497 4.016 8.476 423 2HG2 THR 57 2HG2 THR 57 0.933 3.424 6.870 424 3HG2 THR 57 3HG2 THR 57 0.123 2.353 8.016 425 H LYS 58 H LYS 58 -2.908 6.524 7.252 426 HA LYS 58 HA LYS 58 -1.101 8.220 8.742 427 1HB LYS 58 2HB LYS 58 -3.419 9.062 6.988 428 2HB LYS 58 1HB LYS 58 -2.113 10.087 7.556 429 1HG LYS 58 2HG LYS 58 -1.516 7.709 5.849 430 2HG LYS 58 1HG LYS 58 -2.121 9.188 5.118 431 1HD LYS 58 2HD LYS 58 0.424 8.930 6.746 432 2HD LYS 58 1HD LYS 58 0.311 9.054 5.002 433 1HE LYS 58 2HE LYS 58 0.856 11.209 5.701 434 2HE LYS 58 1HE LYS 58 -0.875 11.270 5.384 435 1HZ LYS 58 1HZ LYS 58 -0.158 12.391 7.455 436 2HZ LYS 58 2HZ LYS 58 0.293 10.881 8.088 437 3HZ LYS 58 3HZ LYS 58 -1.328 11.198 7.703 438 H LEU 59 H LEU 59 -4.257 6.929 9.179 439 HA LEU 59 HA LEU 59 -5.241 8.781 11.030 440 1HB LEU 59 2HB LEU 59 -5.718 5.882 10.579 441 2HB LEU 59 1HB LEU 59 -6.400 6.678 11.988 442 HG LEU 59 HG LEU 59 -6.885 7.514 9.128 443 1HD1 LEU 59 1HD1 LEU 59 -7.812 5.318 9.861 444 2HD1 LEU 59 2HD1 LEU 59 -9.002 6.494 9.313 445 3HD1 LEU 59 3HD1 LEU 59 -8.785 6.191 11.038 446 1HD2 LEU 59 1HD2 LEU 59 -8.048 8.462 11.744 447 2HD2 LEU 59 2HD2 LEU 59 -8.670 8.898 10.152 448 3HD2 LEU 59 3HD2 LEU 59 -7.047 9.395 10.632 449 H ASP 60 H ASP 60 -3.700 5.628 11.765 450 HA ASP 60 HA ASP 60 -1.975 6.634 13.750 451 1HB ASP 60 2HB ASP 60 -4.000 7.089 15.029 452 2HB ASP 60 1HB ASP 60 -4.539 5.425 14.813 453 H VAL 61 H VAL 61 -0.435 5.178 14.027 454 HA VAL 61 HA VAL 61 -0.676 2.399 14.210 455 HB VAL 61 HB VAL 61 -1.551 2.644 11.887 456 1HG1 VAL 61 1HG1 VAL 61 -0.217 3.408 10.099 457 2HG1 VAL 61 2HG1 VAL 61 1.216 3.514 11.119 458 3HG1 VAL 61 3HG1 VAL 61 -0.127 4.631 11.366 459 1HG2 VAL 61 1HG2 VAL 61 1.095 1.278 11.606 460 2HG2 VAL 61 2HG2 VAL 61 -0.503 0.779 11.031 461 3HG2 VAL 61 3HG2 VAL 61 -0.105 0.655 12.745 462 H VAL 62 H VAL 62 0.795 4.408 15.446 463 HA VAL 62 HA VAL 62 3.476 4.225 14.282 464 HB VAL 62 HB VAL 62 4.040 6.239 15.621 465 1HG1 VAL 62 1HG1 VAL 62 2.830 7.819 14.188 466 2HG1 VAL 62 2HG1 VAL 62 1.740 6.522 13.697 467 3HG1 VAL 62 3HG1 VAL 62 3.452 6.440 13.282 468 1HG2 VAL 62 1HG2 VAL 62 2.228 7.605 16.542 469 2HG2 VAL 62 2HG2 VAL 62 2.341 6.050 17.366 470 3HG2 VAL 62 3HG2 VAL 62 1.074 6.324 16.171 471 H ASP 63 H ASP 63 4.829 2.842 15.214 472 HA ASP 63 HA ASP 63 4.479 1.779 17.809 473 1HB ASP 63 2HB ASP 63 5.929 1.000 15.649 474 2HB ASP 63 1HB ASP 63 7.204 1.689 16.647 475 HA PRO 64 HA PRO 64 7.948 4.587 19.323 476 1HB PRO 64 2HB PRO 64 9.421 5.955 17.370 477 2HB PRO 64 1HB PRO 64 9.791 4.356 18.016 478 1HG PRO 64 2HG PRO 64 9.058 4.925 15.376 479 2HG PRO 64 1HG PRO 64 9.049 3.321 16.133 480 1HD PRO 64 2HD PRO 64 6.790 5.270 15.795 481 2HD PRO 64 1HD PRO 64 6.794 3.511 15.550 482 H ASP 65 H ASP 65 9.109 7.122 18.236 483 HA ASP 65 HA ASP 65 7.294 8.886 19.545 484 1HB ASP 65 2HB ASP 65 9.807 9.041 19.590 485 2HB ASP 65 1HB ASP 65 9.754 9.591 17.926 486 H GLY 66 H GLY 66 7.125 7.692 16.505 487 1HA GLY 66 2HA GLY 66 5.230 8.985 15.252 488 2HA GLY 66 1HA GLY 66 6.475 10.219 15.173 489 H ASN 67 H ASN 67 8.619 9.388 14.418 490 HA ASN 67 HA ASN 67 8.348 8.307 11.797 491 1HB ASN 67 2HB ASN 67 10.833 8.443 11.774 492 2HB ASN 67 1HB ASN 67 10.077 9.947 12.296 493 1HD2 ASN 67 1HD2 ASN 67 11.931 7.170 13.295 494 2HD2 ASN 67 2HD2 ASN 67 12.417 7.798 14.830 495 H LEU 68 H LEU 68 9.156 6.357 10.981 496 HA LEU 68 HA LEU 68 10.005 4.253 10.917 497 1HB LEU 68 2HB LEU 68 11.521 5.528 12.837 498 2HB LEU 68 1HB LEU 68 10.966 4.093 13.673 499 HG LEU 68 HG LEU 68 13.144 3.702 12.690 500 1HD1 LEU 68 1HD1 LEU 68 11.599 1.823 12.793 501 2HD1 LEU 68 2HD1 LEU 68 12.669 1.701 11.397 502 3HD1 LEU 68 3HD1 LEU 68 10.997 2.221 11.185 503 1HD2 LEU 68 1HD2 LEU 68 11.846 4.325 10.043 504 2HD2 LEU 68 2HD2 LEU 68 13.495 3.751 10.282 505 3HD2 LEU 68 3HD2 LEU 68 13.018 5.338 10.884 506 H HIS 69 H HIS 69 7.295 4.788 11.895 507 HA HIS 69 HA HIS 69 6.738 2.767 13.833 508 1HB HIS 69 2HB HIS 69 4.360 3.133 13.233 509 2HB HIS 69 1HB HIS 69 5.203 4.625 13.614 510 HD1 HIS 69 1HD HIS 69 3.090 3.076 11.106 511 HD2 HIS 69 2HD HIS 69 5.858 6.180 11.193 512 HE1 HIS 69 1HE HIS 69 2.646 4.439 9.038 513 HE2 HIS 69 2HE HIS 69 4.421 6.225 9.032 514 H HIS 70 H HIS 70 8.102 1.195 12.715 515 HA HIS 70 HA HIS 70 7.047 -0.032 10.314 516 1HB HIS 70 2HB HIS 70 9.383 0.199 10.342 517 2HB HIS 70 1HB HIS 70 9.515 -0.389 11.989 518 HD1 HIS 70 1HD HIS 70 8.860 -1.691 8.476 519 HD2 HIS 70 2HD HIS 70 10.082 -2.998 12.226 520 HE1 HIS 70 1HE HIS 70 9.589 -4.069 8.150 521 HE2 HIS 70 2HE HIS 70 10.553 -4.747 10.377 522 H GLY 71 H GLY 71 7.903 -1.273 13.568 523 1HA GLY 71 2HA GLY 71 6.860 -3.848 13.206 524 2HA GLY 71 1HA GLY 71 7.122 -3.071 14.756 525 H ASN 72 H ASN 72 5.378 -1.135 14.914 526 HA ASN 72 HA ASN 72 2.991 -2.385 15.580 527 1HB ASN 72 2HB ASN 72 3.837 -0.143 16.409 528 2HB ASN 72 1HB ASN 72 3.205 0.570 14.937 529 1HD2 ASN 72 1HD2 ASN 72 2.460 1.216 17.592 530 2HD2 ASN 72 2HD2 ASN 72 0.774 0.862 17.760 531 H ALA 73 H ALA 73 3.905 -0.953 12.480 532 HA ALA 73 HA ALA 73 1.206 -0.818 11.513 533 1HB ALA 73 1HB ALA 73 3.878 -0.458 10.206 534 2HB ALA 73 2HB ALA 73 2.659 0.759 10.561 535 3HB ALA 73 3HB ALA 73 2.377 -0.430 9.288 536 H LYS 74 H LYS 74 3.858 -3.103 11.355 537 HA LYS 74 HA LYS 74 2.540 -4.777 9.424 538 1HB LYS 74 2HB LYS 74 4.770 -5.657 11.225 539 2HB LYS 74 1HB LYS 74 4.335 -6.287 9.648 540 1HG LYS 74 2HG LYS 74 5.763 -3.752 10.324 541 2HG LYS 74 1HG LYS 74 6.250 -5.068 9.274 542 1HD LYS 74 2HD LYS 74 3.998 -3.168 8.688 543 2HD LYS 74 1HD LYS 74 5.630 -3.023 8.040 544 1HE LYS 74 2HE LYS 74 5.332 -5.306 7.045 545 2HE LYS 74 1HE LYS 74 3.637 -5.223 7.530 546 1HZ LYS 74 1HZ LYS 74 3.733 -4.496 5.299 547 2HZ LYS 74 2HZ LYS 74 5.065 -3.490 5.597 548 3HZ LYS 74 3HZ LYS 74 3.546 -3.083 6.224 549 H ASP 75 H ASP 75 2.949 -4.632 12.892 550 HA ASP 75 HA ASP 75 1.620 -7.022 13.594 551 1HB ASP 75 2HB ASP 75 2.990 -5.829 15.196 552 2HB ASP 75 1HB ASP 75 1.971 -4.403 15.071 553 H PHE 76 H PHE 76 0.504 -3.716 13.063 554 HA PHE 76 HA PHE 76 -2.212 -4.044 13.621 555 1HB PHE 76 2HB PHE 76 -1.255 -1.850 13.302 556 2HB PHE 76 1HB PHE 76 -0.807 -2.242 11.647 557 HD1 PHE 76 1HD PHE 76 -3.939 -2.440 13.668 558 HD2 PHE 76 2HD PHE 76 -2.041 -1.144 10.105 559 HE1 PHE 76 1HE PHE 76 -6.075 -1.498 12.887 560 HE2 PHE 76 2HE PHE 76 -4.170 -0.202 9.300 561 HZ PHE 76 HZ PHE 76 -6.192 -0.380 10.695 562 H ALA 77 H ALA 77 -0.336 -4.741 10.735 563 HA ALA 77 HA ALA 77 -2.552 -5.334 9.067 564 1HB ALA 77 1HB ALA 77 -0.690 -6.658 7.786 565 2HB ALA 77 2HB ALA 77 0.389 -5.865 8.937 566 3HB ALA 77 3HB ALA 77 -0.621 -4.895 7.867 567 H MET 78 H MET 78 -0.588 -7.247 11.272 568 HA MET 78 HA MET 78 -1.490 -9.792 10.387 569 1HB MET 78 2HB MET 78 -0.493 -9.072 13.152 570 2HB MET 78 1HB MET 78 -0.522 -10.672 12.430 571 1HG MET 78 2HG MET 78 1.159 -10.015 10.828 572 2HG MET 78 1HG MET 78 1.143 -8.367 11.455 573 1HE MET 78 1HE MET 78 3.686 -8.245 11.902 574 2HE MET 78 2HE MET 78 3.864 -9.835 11.159 575 3HE MET 78 3HE MET 78 4.615 -9.502 12.719 576 H LYS 79 H LYS 79 -2.693 -7.472 12.710 577 HA LYS 79 HA LYS 79 -4.698 -9.362 13.626 578 1HB LYS 79 2HB LYS 79 -4.055 -6.527 14.464 579 2HB LYS 79 1HB LYS 79 -5.331 -7.508 15.177 580 1HG LYS 79 2HG LYS 79 -3.841 -8.961 16.175 581 2HG LYS 79 1HG LYS 79 -2.533 -8.540 15.070 582 1HD LYS 79 2HD LYS 79 -2.374 -6.328 16.112 583 2HD LYS 79 1HD LYS 79 -3.675 -6.765 17.224 584 1HE LYS 79 2HE LYS 79 -2.347 -8.456 18.243 585 2HE LYS 79 1HE LYS 79 -1.110 -8.325 16.993 586 1HZ LYS 79 1HZ LYS 79 -0.584 -6.114 17.772 587 2HZ LYS 79 2HZ LYS 79 -0.445 -7.229 19.043 588 3HZ LYS 79 3HZ LYS 79 -1.791 -6.205 18.959 589 H HIS 80 H HIS 80 -4.372 -7.135 11.119 590 HA HIS 80 HA HIS 80 -7.250 -7.243 10.649 591 1HB HIS 80 2HB HIS 80 -5.746 -4.617 10.565 592 2HB HIS 80 1HB HIS 80 -7.447 -4.858 10.177 593 HD1 HIS 80 1HD HIS 80 -9.052 -5.389 12.195 594 HD2 HIS 80 2HD HIS 80 -5.159 -4.370 13.243 595 HE1 HIS 80 1HE HIS 80 -9.106 -4.939 14.672 596 HE2 HIS 80 2HE HIS 80 -6.690 -4.563 15.309 597 H GLY 81 H GLY 81 -6.823 -8.611 8.890 598 1HA GLY 81 2HA GLY 81 -7.142 -8.170 6.473 599 2HA GLY 81 1HA GLY 81 -5.719 -7.142 6.575 600 H ALA 82 H ALA 82 -3.852 -8.421 7.710 601 HA ALA 82 HA ALA 82 -3.246 -10.581 5.893 602 1HB ALA 82 1HB ALA 82 -0.976 -10.320 7.086 603 2HB ALA 82 2HB ALA 82 -1.686 -8.883 7.804 604 3HB ALA 82 3HB ALA 82 -1.527 -9.011 6.053 605 H ASP 83 H ASP 83 -2.766 -12.707 6.521 606 HA ASP 83 HA ASP 83 -3.735 -13.614 9.080 607 1HB ASP 83 2HB ASP 83 -1.930 -15.208 7.290 608 2HB ASP 83 1HB ASP 83 -3.166 -15.786 8.392 609 H GLU 84 H GLU 84 -2.502 -14.351 10.804 610 HA GLU 84 HA GLU 84 -0.155 -12.874 11.222 611 1HB GLU 84 2HB GLU 84 -1.377 -13.338 13.164 612 2HB GLU 84 1HB GLU 84 -1.608 -15.029 12.729 613 1HG GLU 84 2HG GLU 84 0.212 -15.632 13.809 614 2HG GLU 84 1HG GLU 84 1.158 -14.405 12.968 615 H THR 85 H THR 85 -0.817 -16.299 10.835 616 HA THR 85 HA THR 85 1.637 -17.375 10.444 617 HB THR 85 HB THR 85 -1.091 -17.974 9.768 618 HG1 THR 85 1HG THR 85 1.149 -19.703 10.090 619 1HG2 THR 85 1HG2 THR 85 -0.647 -17.977 7.475 620 2HG2 THR 85 2HG2 THR 85 -0.526 -19.674 7.962 621 3HG2 THR 85 3HG2 THR 85 0.941 -18.729 7.688 622 H MET 86 H MET 86 -0.135 -15.296 8.103 623 HA MET 86 HA MET 86 1.745 -16.055 6.019 624 1HB MET 86 2HB MET 86 0.224 -15.317 4.525 625 2HB MET 86 1HB MET 86 -0.887 -15.308 5.886 626 1HG MET 86 2HG MET 86 -0.670 -12.992 6.185 627 2HG MET 86 1HG MET 86 0.764 -12.920 5.169 628 1HE MET 86 1HE MET 86 -1.692 -10.848 3.003 629 2HE MET 86 2HE MET 86 -0.078 -10.941 3.708 630 3HE MET 86 3HE MET 86 -1.491 -10.818 4.756 631 H ALA 87 H ALA 87 0.913 -13.348 8.045 632 HA ALA 87 HA ALA 87 2.784 -11.498 7.132 633 1HB ALA 87 1HB ALA 87 1.512 -11.970 9.802 634 2HB ALA 87 2HB ALA 87 1.129 -10.731 8.603 635 3HB ALA 87 3HB ALA 87 2.636 -10.638 9.518 636 H GLN 88 H GLN 88 3.049 -14.198 9.388 637 HA GLN 88 HA GLN 88 5.601 -13.431 10.423 638 1HB GLN 88 2HB GLN 88 3.675 -15.603 10.821 639 2HB GLN 88 1HB GLN 88 5.347 -16.121 10.972 640 1HG GLN 88 2HG GLN 88 4.087 -15.321 13.067 641 2HG GLN 88 1HG GLN 88 5.743 -14.778 12.803 642 1HE2 GLN 88 1HE2 GLN 88 2.390 -13.840 12.902 643 2HE2 GLN 88 2HE2 GLN 88 2.676 -12.131 12.841 644 H GLN 89 H GLN 89 4.564 -15.465 7.745 645 HA GLN 89 HA GLN 89 7.296 -16.298 7.278 646 1HB GLN 89 2HB GLN 89 6.477 -17.417 5.299 647 2HB GLN 89 1HB GLN 89 5.444 -17.785 6.669 648 1HG GLN 89 2HG GLN 89 3.801 -16.160 5.850 649 2HG GLN 89 1HG GLN 89 4.839 -15.835 4.460 650 1HE2 GLN 89 1HE2 GLN 89 2.125 -16.893 4.527 651 2HE2 GLN 89 2HE2 GLN 89 2.187 -18.433 3.738 652 H LEU 90 H LEU 90 5.312 -13.633 6.431 653 HA LEU 90 HA LEU 90 6.896 -12.882 4.135 654 1HB LEU 90 2HB LEU 90 4.419 -12.494 4.347 655 2HB LEU 90 1HB LEU 90 4.778 -11.281 5.552 656 HG LEU 90 HG LEU 90 6.084 -10.952 2.906 657 1HD1 LEU 90 1HD1 LEU 90 3.156 -10.410 3.388 658 2HD1 LEU 90 2HD1 LEU 90 3.818 -11.627 2.296 659 3HD1 LEU 90 3HD1 LEU 90 4.080 -9.914 1.970 660 1HD2 LEU 90 1HD2 LEU 90 6.456 -9.335 4.713 661 2HD2 LEU 90 2HD2 LEU 90 4.719 -9.058 4.820 662 3HD2 LEU 90 3HD2 LEU 90 5.597 -8.598 3.363 663 H VAL 91 H VAL 91 6.415 -11.787 7.471 664 HA VAL 91 HA VAL 91 7.908 -9.425 7.418 665 HB VAL 91 HB VAL 91 8.175 -9.764 9.888 666 1HG1 VAL 91 1HG1 VAL 91 5.342 -10.300 9.066 667 2HG1 VAL 91 2HG1 VAL 91 6.134 -8.755 8.750 668 3HG1 VAL 91 3HG1 VAL 91 5.933 -9.319 10.408 669 1HG2 VAL 91 1HG2 VAL 91 7.040 -12.398 9.168 670 2HG2 VAL 91 2HG2 VAL 91 6.712 -11.704 10.756 671 3HG2 VAL 91 3HG2 VAL 91 8.376 -12.015 10.252 672 H ASP 92 H ASP 92 8.933 -12.735 7.795 673 HA ASP 92 HA ASP 92 11.539 -12.304 8.711 674 1HB ASP 92 2HB ASP 92 10.759 -14.495 8.877 675 2HB ASP 92 1HB ASP 92 10.172 -14.524 7.220 676 H ILE 93 H ILE 93 10.203 -12.528 5.447 677 HA ILE 93 HA ILE 93 12.581 -12.048 4.025 678 HB ILE 93 HB ILE 93 9.680 -11.729 3.401 679 1HG1 ILE 93 2HG1 ILE 93 10.202 -13.248 1.568 680 2HG1 ILE 93 1HG1 ILE 93 11.915 -13.140 1.947 681 1HG2 ILE 93 1HG2 ILE 93 10.781 -9.698 2.491 682 2HG2 ILE 93 2HG2 ILE 93 10.053 -10.737 1.266 683 3HG2 ILE 93 3HG2 ILE 93 11.800 -10.752 1.511 684 1HD1 ILE 93 1HD1 ILE 93 11.482 -14.221 4.111 685 2HD1 ILE 93 2HD1 ILE 93 10.978 -15.224 2.750 686 3HD1 ILE 93 3HD1 ILE 93 9.772 -14.343 3.690 687 H ILE 94 H ILE 94 10.179 -9.878 5.448 688 HA ILE 94 HA ILE 94 11.083 -7.469 4.359 689 HB ILE 94 HB ILE 94 9.972 -7.802 7.149 690 1HG1 ILE 94 2HG1 ILE 94 8.546 -7.411 4.510 691 2HG1 ILE 94 1HG1 ILE 94 8.472 -8.836 5.543 692 1HG2 ILE 94 1HG2 ILE 94 10.998 -5.621 6.692 693 2HG2 ILE 94 2HG2 ILE 94 9.253 -5.490 6.892 694 3HG2 ILE 94 3HG2 ILE 94 9.962 -5.434 5.278 695 1HD1 ILE 94 1HD1 ILE 94 7.517 -6.104 6.336 696 2HD1 ILE 94 2HD1 ILE 94 7.331 -7.597 7.255 697 3HD1 ILE 94 3HD1 ILE 94 6.483 -7.394 5.721 698 H HIS 95 H HIS 95 12.051 -9.139 7.325 699 HA HIS 95 HA HIS 95 13.809 -7.072 8.191 700 1HB HIS 95 2HB HIS 95 13.961 -9.997 8.975 701 2HB HIS 95 1HB HIS 95 14.629 -8.631 9.848 702 HD1 HIS 95 1HD HIS 95 12.559 -10.752 10.967 703 HD2 HIS 95 2HD HIS 95 11.675 -6.911 9.644 704 HE1 HIS 95 1HE HIS 95 10.403 -10.120 12.101 705 HE2 HIS 95 2HE HIS 95 9.989 -7.725 11.426 706 H GLY 96 H GLY 96 14.192 -9.909 6.163 707 1HA GLY 96 2HA GLY 96 17.082 -9.773 6.305 708 2HA GLY 96 1HA GLY 96 16.132 -10.930 5.384 709 H CYS 97 H CYS 97 14.582 -9.267 3.840 710 HA CYS 97 HA CYS 97 16.498 -8.608 1.870 711 1HB CYS 97 2HB CYS 97 13.524 -8.122 1.800 712 2HB CYS 97 1HB CYS 97 14.626 -8.125 0.425 713 H GLU 98 H GLU 98 14.405 -6.586 4.006 714 HA GLU 98 HA GLU 98 15.359 -4.137 2.962 715 1HB GLU 98 2HB GLU 98 13.972 -4.941 5.435 716 2HB GLU 98 1HB GLU 98 14.975 -3.507 5.590 717 1HG GLU 98 2HG GLU 98 13.763 -2.652 3.510 718 2HG GLU 98 1HG GLU 98 12.611 -3.952 3.801 719 H LYS 99 H LYS 99 16.695 -6.312 5.424 720 HA LYS 99 HA LYS 99 18.793 -4.634 6.259 721 1HB LYS 99 2HB LYS 99 18.115 -6.649 7.475 722 2HB LYS 99 1HB LYS 99 18.652 -7.653 6.138 723 1HG LYS 99 2HG LYS 99 20.313 -7.758 7.820 724 2HG LYS 99 1HG LYS 99 20.949 -6.771 6.506 725 1HD LYS 99 2HD LYS 99 20.464 -4.746 7.733 726 2HD LYS 99 1HD LYS 99 19.686 -5.674 9.017 727 1HE LYS 99 2HE LYS 99 22.597 -5.799 8.231 728 2HE LYS 99 1HE LYS 99 21.937 -5.026 9.672 729 1HZ LYS 99 1HZ LYS 99 22.839 -7.219 10.159 730 2HZ LYS 99 2HZ LYS 99 21.777 -7.925 9.048 731 3HZ LYS 99 3HZ LYS 99 21.168 -7.181 10.444 732 H SER 100 H SER 100 18.565 -7.016 3.651 733 HA SER 100 HA SER 100 21.257 -6.295 2.749 734 1HB SER 100 2HB SER 100 19.439 -8.519 1.800 735 2HB SER 100 1HB SER 100 21.136 -8.300 1.372 736 HG SER 100 HG SER 100 21.264 -8.317 3.905 737 H ALA 101 H ALA 101 18.736 -4.669 2.417 738 HA ALA 101 HA ALA 101 18.253 -4.656 -0.430 739 1HB ALA 101 1HB ALA 101 17.325 -2.811 1.774 740 2HB ALA 101 2HB ALA 101 16.393 -4.093 0.992 741 3HB ALA 101 3HB ALA 101 16.856 -2.654 0.083 742 HA PRO 102 HA PRO 102 21.269 -1.801 -1.987 743 1HB PRO 102 2HB PRO 102 18.914 -0.050 -2.597 744 2HB PRO 102 1HB PRO 102 20.287 -0.482 -3.627 745 1HG PRO 102 2HG PRO 102 17.931 -1.670 -3.955 746 2HG PRO 102 1HG PRO 102 19.439 -2.595 -4.093 747 1HD PRO 102 2HD PRO 102 17.422 -2.569 -1.913 748 2HD PRO 102 1HD PRO 102 18.476 -3.886 -2.458 749 HA PRO 103 HA PRO 103 21.871 0.726 1.523 750 1HB PRO 103 2HB PRO 103 23.991 2.191 0.716 751 2HB PRO 103 1HB PRO 103 24.107 0.460 1.057 752 1HG PRO 103 2HG PRO 103 23.822 1.857 -1.580 753 2HG PRO 103 1HG PRO 103 24.902 0.521 -1.134 754 1HD PRO 103 2HD PRO 103 22.581 0.133 -2.471 755 2HD PRO 103 1HD PRO 103 23.238 -1.059 -1.332 756 H ASN 104 H ASN 104 20.099 1.829 -0.789 757 HA ASN 104 HA ASN 104 20.182 4.603 0.188 758 1HB ASN 104 2HB ASN 104 19.114 3.520 -2.431 759 2HB ASN 104 1HB ASN 104 18.796 5.152 -1.857 760 1HD2 ASN 104 1HD2 ASN 104 19.821 6.134 -3.566 761 2HD2 ASN 104 2HD2 ASN 104 21.539 6.092 -3.785 762 H ASP 105 H ASP 105 18.939 4.373 1.974 763 HA ASP 105 HA ASP 105 16.637 2.673 2.024 764 1HB ASP 105 2HB ASP 105 18.063 3.111 4.027 765 2HB ASP 105 1HB ASP 105 17.464 4.766 4.047 766 H ASP 106 H ASP 106 15.090 3.324 0.617 767 HA ASP 106 HA ASP 106 14.252 6.106 0.609 768 1HB ASP 106 2HB ASP 106 14.395 4.885 -1.541 769 2HB ASP 106 1HB ASP 106 13.156 3.770 -0.974 770 H LYS 107 H LYS 107 12.952 6.787 2.023 771 HA LYS 107 HA LYS 107 11.635 5.787 4.044 772 1HB LYS 107 2HB LYS 107 11.644 8.165 3.197 773 2HB LYS 107 1HB LYS 107 10.242 7.747 2.228 774 1HG LYS 107 2HG LYS 107 10.211 7.304 5.181 775 2HG LYS 107 1HG LYS 107 9.933 8.911 4.514 776 1HD LYS 107 2HD LYS 107 8.143 7.848 3.068 777 2HD LYS 107 1HD LYS 107 8.318 6.410 4.077 778 1HE LYS 107 2HE LYS 107 6.483 7.792 4.872 779 2HE LYS 107 1HE LYS 107 7.784 7.742 6.060 780 1HZ LYS 107 1HZ LYS 107 8.539 9.907 5.259 781 2HZ LYS 107 2HZ LYS 107 6.934 9.979 5.800 782 3HZ LYS 107 3HZ LYS 107 7.265 9.955 4.141 783 H CYS 108 H CYS 108 9.736 6.034 0.958 784 HA CYS 108 HA CYS 108 7.882 4.141 2.172 785 1HB CYS 108 2HB CYS 108 7.142 6.353 1.199 786 2HB CYS 108 1HB CYS 108 7.486 5.688 -0.384 787 H MET 109 H MET 109 10.489 3.936 -0.024 788 HA MET 109 HA MET 109 9.157 2.133 -1.833 789 1HB MET 109 2HB MET 109 11.482 3.763 -1.953 790 2HB MET 109 1HB MET 109 11.924 2.113 -2.369 791 1HG MET 109 2HG MET 109 9.720 3.707 -3.638 792 2HG MET 109 1HG MET 109 11.318 3.437 -4.321 793 1HE MET 109 1HE MET 109 11.280 -0.412 -5.021 794 2HE MET 109 2HE MET 109 11.893 0.408 -3.586 795 3HE MET 109 3HE MET 109 12.192 1.088 -5.185 796 H LYS 110 H LYS 110 11.202 1.809 0.917 797 HA LYS 110 HA LYS 110 12.728 -0.443 0.277 798 1HB LYS 110 2HB LYS 110 12.932 -0.897 2.668 799 2HB LYS 110 1HB LYS 110 13.171 0.811 2.331 800 1HG LYS 110 2HG LYS 110 10.422 0.106 3.004 801 2HG LYS 110 1HG LYS 110 11.579 -0.277 4.277 802 1HD LYS 110 2HD LYS 110 11.123 2.391 2.968 803 2HD LYS 110 1HD LYS 110 10.724 1.929 4.624 804 1HE LYS 110 2HE LYS 110 13.488 2.124 3.427 805 2HE LYS 110 1HE LYS 110 12.762 3.259 4.559 806 1HZ LYS 110 1HZ LYS 110 12.886 1.723 6.290 807 2HZ LYS 110 2HZ LYS 110 14.363 1.546 5.477 808 3HZ LYS 110 3HZ LYS 110 13.130 0.398 5.253 809 H THR 111 H THR 111 9.631 -0.234 1.806 810 HA THR 111 HA THR 111 9.082 -2.877 2.244 811 HB THR 111 HB THR 111 7.887 -0.967 3.157 812 HG1 THR 111 1HG THR 111 6.468 -3.052 1.851 813 1HG2 THR 111 1HG2 THR 111 6.510 -0.751 0.447 814 2HG2 THR 111 2HG2 THR 111 7.691 0.383 1.106 815 3HG2 THR 111 3HG2 THR 111 6.136 0.171 1.905 816 H ILE 112 H ILE 112 9.425 -1.408 -0.837 817 HA ILE 112 HA ILE 112 7.633 -3.342 -2.088 818 HB ILE 112 HB ILE 112 9.000 -0.921 -3.048 819 1HG1 ILE 112 2HG1 ILE 112 6.834 -0.535 -4.159 820 2HG1 ILE 112 1HG1 ILE 112 6.278 -2.093 -3.565 821 1HG2 ILE 112 1HG2 ILE 112 8.301 -3.225 -4.819 822 2HG2 ILE 112 2HG2 ILE 112 9.873 -2.447 -4.642 823 3HG2 ILE 112 3HG2 ILE 112 8.542 -1.584 -5.414 824 1HD1 ILE 112 1HD1 ILE 112 7.137 0.161 -1.784 825 2HD1 ILE 112 2HD1 ILE 112 6.324 -1.329 -1.316 826 3HD1 ILE 112 3HD1 ILE 112 5.471 -0.126 -2.281 827 H ASP 113 H ASP 113 11.043 -2.440 -1.775 828 HA ASP 113 HA ASP 113 12.151 -4.459 -3.359 829 1HB ASP 113 2HB ASP 113 13.246 -3.190 -0.838 830 2HB ASP 113 1HB ASP 113 14.165 -4.284 -1.859 831 H VAL 114 H VAL 114 10.973 -4.598 -0.007 832 HA VAL 114 HA VAL 114 11.897 -7.299 0.329 833 HB VAL 114 HB VAL 114 10.485 -7.287 2.409 834 1HG1 VAL 114 1HG1 VAL 114 12.435 -5.008 2.239 835 2HG1 VAL 114 2HG1 VAL 114 12.918 -6.706 2.280 836 3HG1 VAL 114 3HG1 VAL 114 12.055 -6.001 3.647 837 1HG2 VAL 114 1HG2 VAL 114 10.211 -4.405 1.755 838 2HG2 VAL 114 2HG2 VAL 114 9.655 -5.185 3.227 839 3HG2 VAL 114 3HG2 VAL 114 8.897 -5.565 1.677 840 H ALA 115 H ALA 115 8.874 -5.674 -0.464 841 HA ALA 115 HA ALA 115 7.166 -7.881 -0.359 842 1HB ALA 115 1HB ALA 115 6.585 -5.461 -0.575 843 2HB ALA 115 2HB ALA 115 5.623 -6.575 -1.550 844 3HB ALA 115 3HB ALA 115 6.902 -5.615 -2.303 845 H MET 116 H MET 116 9.014 -6.578 -3.132 846 HA MET 116 HA MET 116 8.190 -8.719 -4.810 847 1HB MET 116 2HB MET 116 9.962 -8.031 -6.393 848 2HB MET 116 1HB MET 116 8.864 -6.745 -5.943 849 1HG MET 116 2HG MET 116 10.540 -5.721 -4.563 850 2HG MET 116 1HG MET 116 11.639 -7.084 -4.815 851 1HE MET 116 1HE MET 116 12.455 -4.053 -5.248 852 2HE MET 116 2HE MET 116 13.349 -4.147 -6.764 853 3HE MET 116 3HE MET 116 13.569 -5.391 -5.535 854 H CYS 117 H CYS 117 10.466 -8.524 -2.331 855 HA CYS 117 HA CYS 117 12.157 -10.699 -3.116 856 1HB CYS 117 2HB CYS 117 12.456 -8.777 -1.338 857 2HB CYS 117 1HB CYS 117 11.653 -9.915 -0.268 858 H PHE 118 H PHE 118 9.086 -10.309 -1.563 859 HA PHE 118 HA PHE 118 9.021 -12.980 -0.511 860 1HB PHE 118 2HB PHE 118 7.922 -11.193 0.731 861 2HB PHE 118 1HB PHE 118 6.850 -10.878 -0.630 862 HD1 PHE 118 1HD PHE 118 7.841 -13.531 1.769 863 HD2 PHE 118 2HD PHE 118 4.807 -11.984 -0.782 864 HE1 PHE 118 1HE PHE 118 6.255 -15.191 2.658 865 HE2 PHE 118 2HE PHE 118 3.214 -13.639 0.102 866 HZ PHE 118 HZ PHE 118 3.937 -15.246 1.826 867 H LYS 119 H LYS 119 7.475 -11.272 -3.274 868 HA LYS 119 HA LYS 119 6.030 -13.627 -3.956 869 1HB LYS 119 2HB LYS 119 5.012 -12.479 -5.571 870 2HB LYS 119 1HB LYS 119 5.724 -11.094 -4.800 871 1HG LYS 119 2HG LYS 119 6.818 -12.533 -7.211 872 2HG LYS 119 1HG LYS 119 5.927 -11.010 -7.230 873 1HD LYS 119 2HD LYS 119 7.771 -10.143 -5.685 874 2HD LYS 119 1HD LYS 119 8.674 -11.576 -6.173 875 1HE LYS 119 2HE LYS 119 7.693 -9.327 -7.915 876 2HE LYS 119 1HE LYS 119 9.356 -9.791 -7.559 877 1HZ LYS 119 1HZ LYS 119 8.324 -10.468 -9.798 878 2HZ LYS 119 2HZ LYS 119 7.559 -11.694 -8.912 879 3HZ LYS 119 3HZ LYS 119 9.247 -11.605 -8.952 880 H LYS 120 H LYS 120 9.308 -12.499 -4.791 881 HA LYS 120 HA LYS 120 10.090 -14.632 -6.361 882 1HB LYS 120 2HB LYS 120 11.379 -12.842 -4.569 883 2HB LYS 120 1HB LYS 120 11.933 -14.462 -4.169 884 1HG LYS 120 2HG LYS 120 13.442 -13.548 -5.753 885 2HG LYS 120 1HG LYS 120 12.482 -14.779 -6.583 886 1HD LYS 120 2HD LYS 120 12.596 -12.884 -8.020 887 2HD LYS 120 1HD LYS 120 10.968 -12.941 -7.344 888 1HE LYS 120 2HE LYS 120 11.728 -10.679 -7.275 889 2HE LYS 120 1HE LYS 120 11.658 -11.304 -5.633 890 1HZ LYS 120 1HZ LYS 120 14.168 -11.311 -7.213 891 2HZ LYS 120 2HZ LYS 120 13.984 -11.494 -5.535 892 3HZ LYS 120 3HZ LYS 120 13.711 -9.985 -6.260 893 H GLU 121 H GLU 121 9.929 -14.637 -2.807 894 HA GLU 121 HA GLU 121 10.368 -17.356 -2.411 895 1HB GLU 121 2HB GLU 121 8.862 -15.335 -0.770 896 2HB GLU 121 1HB GLU 121 9.116 -16.988 -0.225 897 1HG GLU 121 2HG GLU 121 11.288 -15.010 -0.900 898 2HG GLU 121 1HG GLU 121 10.759 -15.459 0.720 899 H ILE 122 H ILE 122 7.132 -15.749 -2.637 900 HA ILE 122 HA ILE 122 5.616 -18.043 -2.337 901 HB ILE 122 HB ILE 122 4.796 -15.645 -2.413 902 1HG1 ILE 122 2HG1 ILE 122 3.283 -17.803 -3.881 903 2HG1 ILE 122 1HG1 ILE 122 3.329 -17.556 -2.147 904 1HG2 ILE 122 1HG2 ILE 122 3.748 -15.520 -4.895 905 2HG2 ILE 122 2HG2 ILE 122 5.378 -16.086 -5.219 906 3HG2 ILE 122 3HG2 ILE 122 5.119 -14.580 -4.333 907 1HD1 ILE 122 1HD1 ILE 122 2.190 -15.428 -2.391 908 2HD1 ILE 122 2HD1 ILE 122 1.251 -16.736 -3.111 909 3HD1 ILE 122 3HD1 ILE 122 2.168 -15.637 -4.142 910 H HIS 123 H HIS 123 7.204 -16.761 -5.209 911 HA HIS 123 HA HIS 123 6.033 -18.631 -6.976 912 1HB HIS 123 2HB HIS 123 8.298 -16.718 -7.158 913 2HB HIS 123 1HB HIS 123 8.225 -18.016 -8.348 914 HD1 HIS 123 1HD HIS 123 7.325 -16.976 -10.406 915 HD2 HIS 123 2HD HIS 123 5.224 -15.815 -7.013 916 HE1 HIS 123 1HE HIS 123 5.407 -15.577 -11.240 917 HE2 HIS 123 2HE HIS 123 4.027 -15.082 -9.185 918 H LYS 124 H LYS 124 8.890 -18.789 -4.917 919 HA LYS 124 HA LYS 124 10.011 -21.143 -5.950 920 1HB LYS 124 2HB LYS 124 11.047 -19.620 -4.244 921 2HB LYS 124 1HB LYS 124 9.911 -20.246 -3.058 922 1HG LYS 124 2HG LYS 124 12.046 -21.316 -2.793 923 2HG LYS 124 1HG LYS 124 10.864 -22.491 -3.372 924 1HD LYS 124 2HD LYS 124 11.723 -22.370 -5.594 925 2HD LYS 124 1HD LYS 124 12.756 -21.000 -5.176 926 1HE LYS 124 2HE LYS 124 14.013 -22.442 -3.636 927 2HE LYS 124 1HE LYS 124 12.990 -23.807 -4.091 928 1HZ LYS 124 1HZ LYS 124 14.693 -22.280 -5.986 929 2HZ LYS 124 2HZ LYS 124 13.808 -23.687 -6.325 930 3HZ LYS 124 3HZ LYS 124 15.136 -23.752 -5.270 931 H LEU 125 H LEU 125 7.404 -20.519 -3.677 932 HA LEU 125 HA LEU 125 6.786 -23.237 -3.121 933 1HB LEU 125 2HB LEU 125 4.955 -20.843 -3.016 934 2HB LEU 125 1HB LEU 125 4.695 -22.383 -2.220 935 HG LEU 125 HG LEU 125 6.897 -20.417 -1.589 936 1HD1 LEU 125 1HD1 LEU 125 4.710 -19.650 -0.859 937 2HD1 LEU 125 2HD1 LEU 125 5.702 -20.117 0.523 938 3HD1 LEU 125 3HD1 LEU 125 4.424 -21.191 -0.049 939 1HD2 LEU 125 1HD2 LEU 125 7.391 -21.899 0.302 940 2HD2 LEU 125 2HD2 LEU 125 7.631 -22.716 -1.243 941 3HD2 LEU 125 3HD2 LEU 125 6.187 -23.046 -0.288 942 H ASN 126 H ASN 126 6.363 -21.440 -5.963 943 HA ASN 126 HA ASN 126 5.397 -21.851 -7.944 944 1HB ASN 126 2HB ASN 126 5.193 -24.535 -6.672 945 2HB ASN 126 1HB ASN 126 4.247 -24.237 -8.127 946 1HD2 ASN 126 1HD2 ASN 126 7.307 -22.667 -7.551 947 2HD2 ASN 126 2HD2 ASN 126 8.195 -23.524 -8.761 948 H TRP 127 H TRP 127 3.041 -23.318 -8.555 949 HA TRP 127 HA TRP 127 1.228 -21.180 -8.085 950 1HB TRP 127 2HB TRP 127 0.405 -23.832 -9.224 951 2HB TRP 127 1HB TRP 127 -0.164 -22.220 -9.647 952 HD1 TRP 127 HD TRP 127 2.386 -24.803 -10.573 953 HE1 TRP 127 1HE TRP 127 3.836 -23.951 -12.513 954 HE3 TRP 127 3HE TRP 127 0.877 -19.921 -10.625 955 HZ2 TRP 127 2HZ TRP 127 4.277 -21.529 -13.897 956 HZ3 TRP 127 3HZ TRP 127 1.862 -18.400 -12.290 957 HH2 TRP 127 HH TRP 127 3.528 -19.189 -13.891 958 H VAL 128 H VAL 128 0.678 -21.034 -5.933 959 HA VAL 128 HA VAL 128 -0.520 -23.288 -4.585 960 HB VAL 128 HB VAL 128 -1.004 -21.683 -2.761 961 1HG1 VAL 128 1HG1 VAL 128 1.332 -21.250 -2.139 962 2HG1 VAL 128 2HG1 VAL 128 1.830 -21.617 -3.791 963 3HG1 VAL 128 3HG1 VAL 128 1.113 -22.874 -2.785 964 1HG2 VAL 128 1HG2 VAL 128 -1.363 -19.677 -4.098 965 2HG2 VAL 128 2HG2 VAL 128 0.338 -19.668 -4.562 966 3HG2 VAL 128 3HG2 VAL 128 -0.117 -19.401 -2.880 967 HA PRO 129 HA PRO 129 -4.582 -22.661 -6.185 968 1HB PRO 129 2HB PRO 129 -5.643 -23.907 -3.756 969 2HB PRO 129 1HB PRO 129 -5.660 -24.504 -5.417 970 1HG PRO 129 2HG PRO 129 -4.120 -25.620 -3.506 971 2HG PRO 129 1HG PRO 129 -3.620 -25.548 -5.205 972 1HD PRO 129 2HD PRO 129 -2.784 -23.816 -2.909 973 2HD PRO 129 1HD PRO 129 -1.801 -24.496 -4.222 974 H ASN 130 H ASN 130 -4.229 -20.306 -5.669 975 HA ASN 130 HA ASN 130 -6.234 -19.458 -3.688 976 1HB ASN 130 2HB ASN 130 -3.430 -18.581 -3.997 977 2HB ASN 130 1HB ASN 130 -4.604 -17.283 -3.816 978 1HD2 ASN 130 1HD2 ASN 130 -4.994 -20.442 -2.348 979 2HD2 ASN 130 2HD2 ASN 130 -4.762 -19.909 -0.711 980 H MET 131 H MET 131 -7.883 -18.797 -4.815 981 HA MET 131 HA MET 131 -9.234 -17.698 -6.222 982 1HB MET 131 2HB MET 131 -8.836 -15.472 -6.678 983 2HB MET 131 1HB MET 131 -7.783 -15.757 -5.306 984 1HG MET 131 2HG MET 131 -5.893 -16.030 -6.899 985 2HG MET 131 1HG MET 131 -6.990 -15.564 -8.199 986 1HE MET 131 1HE MET 131 -4.237 -14.070 -7.617 987 2HE MET 131 2HE MET 131 -4.734 -12.386 -7.787 988 3HE MET 131 3HE MET 131 -5.344 -13.605 -8.908 989 H ASP 132 H ASP 132 -9.724 -17.179 -8.452 990 HA ASP 132 HA ASP 132 -8.355 -19.111 -10.158 991 1HB ASP 132 2HB ASP 132 -10.988 -17.658 -10.454 992 2HB ASP 132 1HB ASP 132 -10.336 -18.754 -11.665 993 H LEU 133 H LEU 133 -8.790 -18.313 -12.645 994 HA LEU 133 HA LEU 133 -7.180 -15.876 -12.904 995 1HB LEU 133 2HB LEU 133 -6.411 -18.098 -13.886 996 2HB LEU 133 1HB LEU 133 -7.741 -17.964 -15.014 997 HG LEU 133 HG LEU 133 -5.446 -17.289 -15.858 998 1HD1 LEU 133 1HD1 LEU 133 -7.469 -16.693 -17.059 999 2HD1 LEU 133 2HD1 LEU 133 -6.287 -15.386 -17.138 1000 3HD1 LEU 133 3HD1 LEU 133 -7.667 -15.262 -16.046 1001 1HD2 LEU 133 1HD2 LEU 133 -5.988 -14.871 -14.144 1002 2HD2 LEU 133 2HD2 LEU 133 -4.679 -15.042 -15.314 1003 3HD2 LEU 133 3HD2 LEU 133 -4.719 -16.066 -13.878 1004 H VAL 134 H VAL 134 -8.193 -14.096 -13.515 1005 HA VAL 134 HA VAL 134 -10.928 -14.257 -14.469 1006 HB VAL 134 HB VAL 134 -10.844 -11.719 -14.251 1007 1HG1 VAL 134 1HG1 VAL 134 -10.276 -13.412 -11.818 1008 2HG1 VAL 134 2HG1 VAL 134 -11.852 -13.150 -12.564 1009 3HG1 VAL 134 3HG1 VAL 134 -11.004 -11.805 -11.800 1010 1HG2 VAL 134 1HG2 VAL 134 -9.037 -10.803 -12.858 1011 2HG2 VAL 134 2HG2 VAL 134 -8.425 -11.421 -14.391 1012 3HG2 VAL 134 3HG2 VAL 134 -8.208 -12.359 -12.914 1013 H ILE 135 H ILE 135 -11.301 -14.451 -16.576 1014 HA ILE 135 HA ILE 135 -9.406 -13.434 -18.520 1015 HB ILE 135 HB ILE 135 -12.089 -14.783 -18.930 1016 1HG1 ILE 135 2HG1 ILE 135 -10.517 -16.602 -19.902 1017 2HG1 ILE 135 1HG1 ILE 135 -9.251 -15.789 -18.992 1018 1HG2 ILE 135 1HG2 ILE 135 -9.989 -14.034 -20.958 1019 2HG2 ILE 135 2HG2 ILE 135 -11.583 -13.300 -20.786 1020 3HG2 ILE 135 3HG2 ILE 135 -11.437 -14.986 -21.284 1021 1HD1 ILE 135 1HD1 ILE 135 -10.378 -16.241 -16.924 1022 2HD1 ILE 135 2HD1 ILE 135 -10.226 -17.743 -17.836 1023 3HD1 ILE 135 3HD1 ILE 135 -11.774 -16.896 -17.780 1024 H GLY 136 H GLY 136 -9.456 -11.234 -18.222 1025 1HA GLY 136 2HA GLY 136 -11.848 -9.898 -19.273 1026 2HA GLY 136 1HA GLY 136 -11.211 -9.382 -17.717 1027 H GLU 137 H GLU 137 -10.169 -9.954 -21.056 1028 HA GLU 137 HA GLU 137 -7.998 -8.079 -20.796 1029 1HB GLU 137 2HB GLU 137 -7.644 -10.012 -22.190 1030 2HB GLU 137 1HB GLU 137 -9.074 -9.645 -23.144 1031 1HG GLU 137 2HG GLU 137 -7.946 -7.540 -23.877 1032 2HG GLU 137 1HG GLU 137 -6.488 -8.112 -23.062 1033 H VAL 138 H VAL 138 -10.477 -8.238 -23.335 1034 HA VAL 138 HA VAL 138 -11.676 -6.653 -24.415 1035 HB VAL 138 HB VAL 138 -11.283 -4.989 -21.922 1036 1HG1 VAL 138 1HG1 VAL 138 -13.245 -3.738 -22.745 1037 2HG1 VAL 138 2HG1 VAL 138 -13.182 -4.661 -24.242 1038 3HG1 VAL 138 3HG1 VAL 138 -11.849 -3.591 -23.809 1039 1HG2 VAL 138 1HG2 VAL 138 -13.586 -6.749 -22.769 1040 2HG2 VAL 138 2HG2 VAL 138 -13.546 -5.725 -21.335 1041 3HG2 VAL 138 3HG2 VAL 138 -12.442 -7.094 -21.475 1042 H LEU 139 H LEU 139 -10.886 -5.648 -26.119 1043 HA LEU 139 HA LEU 139 -8.520 -3.925 -25.764 1044 1HB LEU 139 2HB LEU 139 -8.679 -6.359 -27.154 1045 2HB LEU 139 1HB LEU 139 -8.641 -5.116 -28.386 1046 HG LEU 139 HG LEU 139 -6.398 -5.939 -27.902 1047 1HD1 LEU 139 1HD1 LEU 139 -5.296 -3.803 -27.463 1048 2HD1 LEU 139 2HD1 LEU 139 -6.828 -3.124 -26.915 1049 3HD1 LEU 139 3HD1 LEU 139 -6.636 -3.620 -28.598 1050 1HD2 LEU 139 1HD2 LEU 139 -5.357 -5.521 -25.723 1051 2HD2 LEU 139 2HD2 LEU 139 -6.722 -6.630 -25.596 1052 3HD2 LEU 139 3HD2 LEU 139 -6.904 -4.947 -25.098 1053 H ALA 140 H ALA 140 -11.545 -3.553 -26.156 1054 HA ALA 140 HA ALA 140 -11.286 -1.272 -27.916 1055 1HB ALA 140 1HB ALA 140 -13.284 -3.450 -28.533 1056 2HB ALA 140 2HB ALA 140 -11.853 -3.067 -29.489 1057 3HB ALA 140 3HB ALA 140 -13.163 -1.894 -29.351 1058 H GLU 141 H GLU 141 -13.049 0.218 -27.689 1059 HA GLU 141 HA GLU 141 -14.425 -0.038 -25.136 1060 1HB GLU 141 2HB GLU 141 -14.445 2.239 -27.127 1061 2HB GLU 141 1HB GLU 141 -15.104 2.285 -25.499 1062 1HG GLU 141 2HG GLU 141 -12.851 1.940 -24.597 1063 2HG GLU 141 1HG GLU 141 -12.209 1.951 -26.240 1064 H VAL 142 H VAL 142 -16.725 0.606 -25.038 1065 HA VAL 142 HA VAL 142 -18.837 -0.132 -25.367 1066 HB VAL 142 HB VAL 142 -18.927 2.024 -26.418 1067 1HG1 VAL 142 1HG1 VAL 142 -18.165 0.686 -29.003 1068 2HG1 VAL 142 2HG1 VAL 142 -17.179 1.818 -28.078 1069 3HG1 VAL 142 3HG1 VAL 142 -18.681 2.363 -28.823 1070 1HG2 VAL 142 1HG2 VAL 142 -20.839 1.700 -27.924 1071 2HG2 VAL 142 2HG2 VAL 142 -20.956 0.718 -26.464 1072 3HG2 VAL 142 3HG2 VAL 142 -20.476 -0.025 -27.992 Start of MODEL 10 1 1H SER 1 1HT SER 1 -8.224 -16.058 -3.097 2 2H SER 1 2HT SER 1 -6.835 -16.782 -2.448 3 3H SER 1 3HT SER 1 -6.794 -15.169 -2.940 4 HA SER 1 HA SER 1 -8.605 -16.104 -0.823 5 1HB SER 1 2HB SER 1 -5.909 -14.827 -0.352 6 2HB SER 1 1HB SER 1 -6.974 -15.591 0.829 7 HG SER 1 HG SER 1 -6.450 -17.576 0.049 8 HA PRO 2 HA PRO 2 -9.885 -11.901 -2.088 9 1HB PRO 2 2HB PRO 2 -12.156 -12.598 -0.326 10 2HB PRO 2 1HB PRO 2 -12.164 -12.047 -2.004 11 1HG PRO 2 2HG PRO 2 -12.737 -14.581 -1.383 12 2HG PRO 2 1HG PRO 2 -11.814 -14.178 -2.843 13 1HD PRO 2 2HD PRO 2 -10.838 -15.213 -0.207 14 2HD PRO 2 1HD PRO 2 -10.341 -15.672 -1.850 15 H GLU 3 H GLU 3 -9.540 -13.340 1.027 16 HA GLU 3 HA GLU 3 -10.054 -11.341 2.819 17 1HB GLU 3 2HB GLU 3 -7.729 -13.273 2.895 18 2HB GLU 3 1HB GLU 3 -8.301 -12.335 4.264 19 1HG GLU 3 2HG GLU 3 -9.126 -14.568 4.456 20 2HG GLU 3 1HG GLU 3 -10.479 -13.497 4.097 21 H ILE 4 H ILE 4 -6.701 -11.969 1.713 22 HA ILE 4 HA ILE 4 -5.917 -9.341 2.460 23 HB ILE 4 HB ILE 4 -4.448 -11.340 2.648 24 1HG1 ILE 4 2HG1 ILE 4 -2.385 -10.194 1.873 25 2HG1 ILE 4 1HG1 ILE 4 -3.386 -9.037 1.001 26 1HG2 ILE 4 1HG2 ILE 4 -3.248 -12.079 0.644 27 2HG2 ILE 4 2HG2 ILE 4 -4.297 -11.069 -0.345 28 3HG2 ILE 4 3HG2 ILE 4 -4.972 -12.423 0.561 29 1HD1 ILE 4 1HD1 ILE 4 -3.351 -9.450 3.983 30 2HD1 ILE 4 2HD1 ILE 4 -4.369 -8.302 3.113 31 3HD1 ILE 4 3HD1 ILE 4 -2.616 -8.111 3.102 32 H MET 5 H MET 5 -7.401 -10.594 -0.263 33 HA MET 5 HA MET 5 -6.186 -9.125 -2.342 34 1HB MET 5 2HB MET 5 -7.753 -11.106 -2.549 35 2HB MET 5 1HB MET 5 -9.069 -10.000 -2.195 36 1HG MET 5 2HG MET 5 -9.055 -10.206 -4.519 37 2HG MET 5 1HG MET 5 -8.303 -8.646 -4.193 38 1HE MET 5 1HE MET 5 -4.619 -9.139 -5.165 39 2HE MET 5 2HE MET 5 -5.351 -9.008 -3.566 40 3HE MET 5 3HE MET 5 -5.924 -7.988 -4.886 41 H LYS 6 H LYS 6 -8.894 -8.474 -0.176 42 HA LYS 6 HA LYS 6 -9.285 -5.816 -1.240 43 1HB LYS 6 2HB LYS 6 -10.419 -7.152 1.226 44 2HB LYS 6 1HB LYS 6 -10.883 -5.561 0.645 45 1HG LYS 6 2HG LYS 6 -11.680 -6.595 -1.449 46 2HG LYS 6 1HG LYS 6 -11.295 -8.181 -0.777 47 1HD LYS 6 2HD LYS 6 -12.866 -7.812 1.044 48 2HD LYS 6 1HD LYS 6 -13.221 -6.196 0.430 49 1HE LYS 6 2HE LYS 6 -14.980 -7.691 -0.243 50 2HE LYS 6 1HE LYS 6 -14.051 -7.219 -1.665 51 1HZ LYS 6 1HZ LYS 6 -13.759 -9.784 -0.186 52 2HZ LYS 6 2HZ LYS 6 -12.888 -9.335 -1.572 53 3HZ LYS 6 3HZ LYS 6 -14.562 -9.579 -1.668 54 H ASN 7 H ASN 7 -7.624 -4.463 -0.907 55 HA ASN 7 HA ASN 7 -5.833 -4.591 1.271 56 1HB ASN 7 2HB ASN 7 -6.441 -2.250 -0.550 57 2HB ASN 7 1HB ASN 7 -5.042 -2.379 0.509 58 1HD2 ASN 7 1HD2 ASN 7 -4.775 -5.277 -0.079 59 2HD2 ASN 7 2HD2 ASN 7 -4.081 -5.352 -1.656 60 H LEU 8 H LEU 8 -5.594 -3.211 3.066 61 HA LEU 8 HA LEU 8 -7.953 -2.814 4.513 62 1HB LEU 8 2HB LEU 8 -5.133 -1.863 4.920 63 2HB LEU 8 1HB LEU 8 -6.412 -1.398 6.022 64 HG LEU 8 HG LEU 8 -6.830 -3.830 6.462 65 1HD1 LEU 8 1HD1 LEU 8 -5.070 -5.429 5.887 66 2HD1 LEU 8 2HD1 LEU 8 -4.269 -4.194 4.915 67 3HD1 LEU 8 3HD1 LEU 8 -5.865 -4.785 4.449 68 1HD2 LEU 8 1HD2 LEU 8 -4.067 -2.796 7.065 69 2HD2 LEU 8 2HD2 LEU 8 -4.894 -4.096 7.922 70 3HD2 LEU 8 3HD2 LEU 8 -5.532 -2.453 7.986 71 H SER 9 H SER 9 -5.781 -0.402 3.053 72 HA SER 9 HA SER 9 -7.326 1.843 3.740 73 1HB SER 9 2HB SER 9 -5.470 1.583 1.363 74 2HB SER 9 1HB SER 9 -5.940 3.070 2.186 75 HG SER 9 HG SER 9 -3.970 1.314 2.792 76 H ASN 10 H ASN 10 -7.457 -0.374 1.044 77 HA ASN 10 HA ASN 10 -9.173 1.210 -0.598 78 1HB ASN 10 2HB ASN 10 -7.726 -0.521 -1.553 79 2HB ASN 10 1HB ASN 10 -8.576 -1.762 -0.641 80 1HD2 ASN 10 1HD2 ASN 10 -9.103 -2.866 -2.536 81 2HD2 ASN 10 2HD2 ASN 10 -10.332 -2.287 -3.609 82 H ASN 11 H ASN 11 -9.643 -1.346 1.784 83 HA ASN 11 HA ASN 11 -12.443 -1.618 1.378 84 1HB ASN 11 2HB ASN 11 -10.993 -3.310 2.552 85 2HB ASN 11 1HB ASN 11 -10.914 -2.206 3.923 86 1HD2 ASN 11 1HD2 ASN 11 -13.681 -2.801 1.833 87 2HD2 ASN 11 2HD2 ASN 11 -14.696 -3.480 3.066 88 H PHE 12 H PHE 12 -10.620 -0.083 4.033 89 HA PHE 12 HA PHE 12 -12.513 1.440 5.236 90 1HB PHE 12 2HB PHE 12 -9.650 1.987 4.609 91 2HB PHE 12 1HB PHE 12 -10.620 3.285 5.297 92 HD1 PHE 12 1HD PHE 12 -9.170 -0.028 5.896 93 HD2 PHE 12 2HD PHE 12 -11.399 3.190 7.557 94 HE1 PHE 12 1HE PHE 12 -8.817 -0.954 8.149 95 HE2 PHE 12 2HE PHE 12 -11.051 2.274 9.812 96 HZ PHE 12 HZ PHE 12 -9.759 0.198 10.110 97 H GLY 13 H GLY 13 -10.583 2.933 2.550 98 1HA GLY 13 2HA GLY 13 -11.144 4.591 1.086 99 2HA GLY 13 1HA GLY 13 -12.732 3.848 1.065 100 H LYS 14 H LYS 14 -11.296 5.372 3.931 101 HA LYS 14 HA LYS 14 -13.574 6.988 4.348 102 1HB LYS 14 2HB LYS 14 -11.912 6.116 6.082 103 2HB LYS 14 1HB LYS 14 -10.839 7.404 5.565 104 1HG LYS 14 2HG LYS 14 -13.621 7.977 6.523 105 2HG LYS 14 1HG LYS 14 -12.277 7.780 7.646 106 1HD LYS 14 2HD LYS 14 -11.072 9.584 6.441 107 2HD LYS 14 1HD LYS 14 -12.504 9.818 5.435 108 1HE LYS 14 2HE LYS 14 -13.815 10.350 7.425 109 2HE LYS 14 1HE LYS 14 -12.393 10.104 8.437 110 1HZ LYS 14 1HZ LYS 14 -11.308 11.927 7.214 111 2HZ LYS 14 2HZ LYS 14 -12.696 12.430 8.046 112 3HZ LYS 14 3HZ LYS 14 -12.751 12.202 6.363 113 H ALA 15 H ALA 15 -10.230 7.812 3.409 114 HA ALA 15 HA ALA 15 -11.300 9.920 1.708 115 1HB ALA 15 1HB ALA 15 -10.856 11.172 3.677 116 2HB ALA 15 2HB ALA 15 -9.553 11.515 2.543 117 3HB ALA 15 3HB ALA 15 -9.284 10.407 3.889 118 H MET 16 H MET 16 -10.667 8.551 0.005 119 HA MET 16 HA MET 16 -7.966 7.763 -0.407 120 1HB MET 16 2HB MET 16 -9.815 6.658 -1.581 121 2HB MET 16 1HB MET 16 -10.213 8.162 -2.397 122 1HG MET 16 2HG MET 16 -8.028 8.120 -3.515 123 2HG MET 16 1HG MET 16 -7.670 6.586 -2.725 124 1HE MET 16 1HE MET 16 -8.931 4.318 -3.235 125 2HE MET 16 2HE MET 16 -10.315 4.193 -4.321 126 3HE MET 16 3HE MET 16 -10.458 5.093 -2.812 127 H ASP 17 H ASP 17 -9.896 10.553 -1.186 128 HA ASP 17 HA ASP 17 -8.114 11.853 -2.932 129 1HB ASP 17 2HB ASP 17 -10.419 12.528 -2.863 130 2HB ASP 17 1HB ASP 17 -10.300 12.922 -1.149 131 H GLN 18 H GLN 18 -8.327 11.764 0.577 132 HA GLN 18 HA GLN 18 -6.531 14.054 0.707 133 1HB GLN 18 2HB GLN 18 -8.077 12.601 2.838 134 2HB GLN 18 1HB GLN 18 -6.868 13.824 3.217 135 1HG GLN 18 2HG GLN 18 -8.237 15.269 1.509 136 2HG GLN 18 1HG GLN 18 -9.525 14.132 1.900 137 1HE2 GLN 18 1HE2 GLN 18 -9.290 16.978 2.441 138 2HE2 GLN 18 2HE2 GLN 18 -9.455 17.151 4.154 139 H CYS 19 H CYS 19 -6.438 10.590 1.183 140 HA CYS 19 HA CYS 19 -3.809 10.536 2.249 141 1HB CYS 19 2HB CYS 19 -5.720 8.617 1.533 142 2HB CYS 19 1HB CYS 19 -4.338 8.298 0.488 143 H LYS 20 H LYS 20 -5.190 10.701 -0.946 144 HA LYS 20 HA LYS 20 -2.886 10.496 -2.528 145 1HB LYS 20 2HB LYS 20 -5.387 10.510 -3.173 146 2HB LYS 20 1HB LYS 20 -5.266 12.260 -3.128 147 1HG LYS 20 2HG LYS 20 -3.511 10.542 -4.858 148 2HG LYS 20 1HG LYS 20 -5.062 11.190 -5.388 149 1HD LYS 20 2HD LYS 20 -3.501 13.286 -4.236 150 2HD LYS 20 1HD LYS 20 -2.540 12.433 -5.445 151 1HE LYS 20 2HE LYS 20 -3.724 14.246 -6.504 152 2HE LYS 20 1HE LYS 20 -4.399 12.714 -7.055 153 1HZ LYS 20 1HZ LYS 20 -6.177 14.203 -6.581 154 2HZ LYS 20 2HZ LYS 20 -5.566 14.559 -5.042 155 3HZ LYS 20 3HZ LYS 20 -6.181 13.015 -5.376 156 H ASP 21 H ASP 21 -4.482 13.316 -1.046 157 HA ASP 21 HA ASP 21 -2.721 15.227 -2.190 158 1HB ASP 21 2HB ASP 21 -4.951 15.877 -1.470 159 2HB ASP 21 1HB ASP 21 -4.569 15.451 0.195 160 H GLU 22 H GLU 22 -2.801 13.613 0.966 161 HA GLU 22 HA GLU 22 -0.802 15.308 2.089 162 1HB GLU 22 2HB GLU 22 -1.966 12.699 3.009 163 2HB GLU 22 1HB GLU 22 -0.673 13.501 3.882 164 1HG GLU 22 2HG GLU 22 -2.227 15.531 3.910 165 2HG GLU 22 1HG GLU 22 -3.499 14.394 3.467 166 H LEU 23 H LEU 23 -0.693 12.212 0.408 167 HA LEU 23 HA LEU 23 2.128 11.908 1.042 168 1HB LEU 23 2HB LEU 23 0.462 10.271 -0.862 169 2HB LEU 23 1HB LEU 23 2.053 9.860 -0.257 170 HG LEU 23 HG LEU 23 -0.592 9.727 1.108 171 1HD1 LEU 23 1HD1 LEU 23 0.346 7.726 0.079 172 2HD1 LEU 23 2HD1 LEU 23 0.270 7.568 1.835 173 3HD1 LEU 23 3HD1 LEU 23 1.809 7.910 1.046 174 1HD2 LEU 23 1HD2 LEU 23 0.914 11.210 2.411 175 2HD2 LEU 23 2HD2 LEU 23 2.012 9.833 2.606 176 3HD2 LEU 23 3HD2 LEU 23 0.374 9.760 3.268 177 H SER 24 H SER 24 0.408 13.722 -1.040 178 HA SER 24 HA SER 24 0.828 14.873 -2.940 179 1HB SER 24 2HB SER 24 3.701 14.161 -2.303 180 2HB SER 24 1HB SER 24 3.181 15.408 -3.438 181 HG SER 24 HG SER 24 2.440 15.383 -0.700 182 H LEU 25 H LEU 25 0.054 12.209 -3.219 183 HA LEU 25 HA LEU 25 1.394 10.627 -5.021 184 1HB LEU 25 2HB LEU 25 -1.515 11.306 -4.847 185 2HB LEU 25 1HB LEU 25 -0.924 10.236 -6.090 186 HG LEU 25 HG LEU 25 -1.870 8.971 -4.244 187 1HD1 LEU 25 1HD1 LEU 25 1.097 8.646 -4.172 188 2HD1 LEU 25 2HD1 LEU 25 0.116 8.159 -5.552 189 3HD1 LEU 25 3HD1 LEU 25 -0.137 7.406 -3.976 190 1HD2 LEU 25 1HD2 LEU 25 -0.803 8.942 -2.049 191 2HD2 LEU 25 2HD2 LEU 25 -1.477 10.527 -2.425 192 3HD2 LEU 25 3HD2 LEU 25 0.262 10.255 -2.550 193 HA PRO 26 HA PRO 26 1.669 13.378 -8.607 194 1HB PRO 26 2HB PRO 26 3.083 11.137 -9.852 195 2HB PRO 26 1HB PRO 26 3.665 12.768 -9.511 196 1HG PRO 26 2HG PRO 26 4.575 10.621 -8.164 197 2HG PRO 26 1HG PRO 26 4.394 12.210 -7.393 198 1HD PRO 26 2HD PRO 26 2.569 9.839 -7.286 199 2HD PRO 26 1HD PRO 26 3.109 10.876 -5.967 200 H ASP 27 H ASP 27 0.765 13.288 -10.708 201 HA ASP 27 HA ASP 27 -1.625 11.812 -10.833 202 1HB ASP 27 2HB ASP 27 -1.847 12.809 -13.092 203 2HB ASP 27 1HB ASP 27 -1.521 13.962 -11.803 204 H SER 28 H SER 28 1.543 11.209 -12.145 205 HA SER 28 HA SER 28 0.810 9.170 -13.952 206 1HB SER 28 2HB SER 28 3.388 9.445 -12.387 207 2HB SER 28 1HB SER 28 3.154 8.501 -13.858 208 HG SER 28 HG SER 28 3.634 10.258 -14.882 209 H VAL 29 H VAL 29 1.387 9.204 -10.484 210 HA VAL 29 HA VAL 29 1.406 6.331 -10.297 211 HB VAL 29 HB VAL 29 1.282 8.306 -8.030 212 1HG1 VAL 29 1HG1 VAL 29 2.479 6.364 -6.900 213 2HG1 VAL 29 2HG1 VAL 29 1.960 5.389 -8.268 214 3HG1 VAL 29 3HG1 VAL 29 0.762 6.162 -7.228 215 1HG2 VAL 29 1HG2 VAL 29 3.693 7.122 -9.404 216 2HG2 VAL 29 2HG2 VAL 29 3.722 8.096 -7.933 217 3HG2 VAL 29 3HG2 VAL 29 3.193 8.812 -9.457 218 H VAL 30 H VAL 30 -0.864 8.971 -9.419 219 HA VAL 30 HA VAL 30 -2.826 7.312 -8.289 220 HB VAL 30 HB VAL 30 -4.500 9.016 -8.850 221 1HG1 VAL 30 1HG1 VAL 30 -1.952 10.267 -7.838 222 2HG1 VAL 30 2HG1 VAL 30 -3.035 9.256 -6.882 223 3HG1 VAL 30 3HG1 VAL 30 -3.603 10.797 -7.519 224 1HG2 VAL 30 1HG2 VAL 30 -3.857 11.077 -9.995 225 2HG2 VAL 30 2HG2 VAL 30 -3.717 9.672 -11.051 226 3HG2 VAL 30 3HG2 VAL 30 -2.271 10.387 -10.339 227 H ALA 31 H ALA 31 -2.030 8.026 -11.628 228 HA ALA 31 HA ALA 31 -4.247 6.808 -12.879 229 1HB ALA 31 1HB ALA 31 -1.423 7.036 -13.879 230 2HB ALA 31 2HB ALA 31 -2.641 8.310 -13.995 231 3HB ALA 31 3HB ALA 31 -2.865 6.791 -14.867 232 H ASP 32 H ASP 32 -0.978 5.555 -12.211 233 HA ASP 32 HA ASP 32 -1.428 2.947 -13.191 234 1HB ASP 32 2HB ASP 32 0.814 3.912 -12.838 235 2HB ASP 32 1HB ASP 32 0.539 3.912 -11.100 236 H LEU 33 H LEU 33 -1.731 4.402 -10.028 237 HA LEU 33 HA LEU 33 -2.368 2.298 -8.401 238 1HB LEU 33 2HB LEU 33 -2.159 4.765 -7.873 239 2HB LEU 33 1HB LEU 33 -3.805 4.950 -8.441 240 HG LEU 33 HG LEU 33 -4.543 3.386 -6.645 241 1HD1 LEU 33 1HD1 LEU 33 -1.628 3.601 -5.919 242 2HD1 LEU 33 2HD1 LEU 33 -2.555 2.132 -6.245 243 3HD1 LEU 33 3HD1 LEU 33 -2.870 3.068 -4.782 244 1HD2 LEU 33 1HD2 LEU 33 -4.541 5.879 -6.448 245 2HD2 LEU 33 2HD2 LEU 33 -2.993 5.756 -5.613 246 3HD2 LEU 33 3HD2 LEU 33 -4.435 5.024 -4.909 247 H TYR 34 H TYR 34 -4.678 4.210 -10.337 248 HA TYR 34 HA TYR 34 -6.896 2.587 -9.724 249 1HB TYR 34 2HB TYR 34 -6.436 4.544 -11.961 250 2HB TYR 34 1HB TYR 34 -7.985 3.758 -11.661 251 HD1 TYR 34 1HD TYR 34 -6.759 6.789 -11.408 252 HD2 TYR 34 2HD TYR 34 -8.132 3.772 -8.742 253 HE1 TYR 34 1HE TYR 34 -7.289 8.514 -9.737 254 HE2 TYR 34 2HE TYR 34 -8.668 5.486 -7.068 255 HH TYR 34 HH TYR 34 -8.033 7.732 -6.490 256 H ASN 35 H ASN 35 -4.473 1.065 -11.217 257 HA ASN 35 HA ASN 35 -5.460 0.386 -13.765 258 1HB ASN 35 2HB ASN 35 -3.851 -1.452 -13.727 259 2HB ASN 35 1HB ASN 35 -3.115 0.029 -13.134 260 1HD2 ASN 35 1HD2 ASN 35 -2.410 -2.798 -12.735 261 2HD2 ASN 35 2HD2 ASN 35 -2.356 -3.035 -11.027 262 H PHE 36 H PHE 36 -7.345 -0.560 -14.158 263 HA PHE 36 HA PHE 36 -8.441 -2.436 -12.210 264 1HB PHE 36 2HB PHE 36 -9.673 -1.052 -14.593 265 2HB PHE 36 1HB PHE 36 -10.512 -2.285 -13.657 266 HD1 PHE 36 1HD PHE 36 -10.362 -1.813 -11.001 267 HD2 PHE 36 2HD PHE 36 -10.171 1.122 -14.078 268 HE1 PHE 36 1HE PHE 36 -11.128 -0.099 -9.408 269 HE2 PHE 36 2HE PHE 36 -10.932 2.840 -12.490 270 HZ PHE 36 HZ PHE 36 -11.412 2.231 -10.152 271 H TRP 37 H TRP 37 -6.515 -2.612 -14.863 272 HA TRP 37 HA TRP 37 -7.647 -5.094 -15.874 273 1HB TRP 37 2HB TRP 37 -5.862 -5.016 -17.550 274 2HB TRP 37 1HB TRP 37 -6.743 -3.495 -17.506 275 HD1 TRP 37 HD TRP 37 -3.323 -5.001 -16.705 276 HE1 TRP 37 1HE TRP 37 -1.613 -3.093 -16.430 277 HE3 TRP 37 3HE TRP 37 -6.535 -1.026 -16.869 278 HZ2 TRP 37 2HZ TRP 37 -1.638 -0.273 -16.314 279 HZ3 TRP 37 3HZ TRP 37 -5.607 1.244 -16.676 280 HH2 TRP 37 HH TRP 37 -3.210 1.614 -16.404 281 H LYS 38 H LYS 38 -6.293 -7.028 -16.020 282 HA LYS 38 HA LYS 38 -4.932 -7.562 -13.568 283 1HB LYS 38 2HB LYS 38 -4.465 -9.804 -14.508 284 2HB LYS 38 1HB LYS 38 -6.165 -9.371 -14.533 285 1HG LYS 38 2HG LYS 38 -4.421 -9.017 -16.948 286 2HG LYS 38 1HG LYS 38 -5.180 -10.548 -16.552 287 1HD LYS 38 2HD LYS 38 -7.381 -9.512 -16.600 288 2HD LYS 38 1HD LYS 38 -6.644 -7.946 -16.942 289 1HE LYS 38 2HE LYS 38 -5.770 -8.835 -19.055 290 2HE LYS 38 1HE LYS 38 -6.527 -10.390 -18.708 291 1HZ LYS 38 1HZ LYS 38 -7.849 -8.987 -20.219 292 2HZ LYS 38 2HZ LYS 38 -8.003 -7.827 -18.996 293 3HZ LYS 38 3HZ LYS 38 -8.681 -9.368 -18.794 294 H ASP 39 H ASP 39 -3.425 -5.961 -13.655 295 HA ASP 39 HA ASP 39 -1.479 -5.354 -15.408 296 1HB ASP 39 2HB ASP 39 -0.090 -4.605 -13.529 297 2HB ASP 39 1HB ASP 39 -1.779 -4.154 -13.335 298 H ASP 40 H ASP 40 -0.999 -8.056 -13.028 299 HA ASP 40 HA ASP 40 0.767 -9.369 -12.620 300 1HB ASP 40 2HB ASP 40 1.488 -10.828 -14.388 301 2HB ASP 40 1HB ASP 40 -0.235 -10.551 -14.548 302 H TYR 41 H TYR 41 1.395 -6.650 -12.695 303 HA TYR 41 HA TYR 41 4.076 -6.608 -13.890 304 1HB TYR 41 2HB TYR 41 3.812 -4.390 -14.338 305 2HB TYR 41 1HB TYR 41 2.125 -4.849 -14.342 306 HD1 TYR 41 1HD TYR 41 3.796 -2.159 -13.702 307 HD2 TYR 41 2HD TYR 41 1.591 -4.967 -11.409 308 HE1 TYR 41 1HE TYR 41 3.342 -0.422 -12.024 309 HE2 TYR 41 2HE TYR 41 1.119 -3.237 -9.723 310 HH TYR 41 HH TYR 41 1.612 0.051 -10.277 311 H VAL 42 H VAL 42 5.492 -4.925 -12.559 312 HA VAL 42 HA VAL 42 5.618 -6.017 -9.843 313 HB VAL 42 HB VAL 42 7.781 -4.531 -11.343 314 1HG1 VAL 42 1HG1 VAL 42 9.277 -5.447 -9.681 315 2HG1 VAL 42 2HG1 VAL 42 7.945 -6.311 -8.917 316 3HG1 VAL 42 3HG1 VAL 42 7.982 -4.548 -8.894 317 1HG2 VAL 42 1HG2 VAL 42 7.185 -7.472 -11.210 318 2HG2 VAL 42 2HG2 VAL 42 8.789 -6.851 -11.597 319 3HG2 VAL 42 3HG2 VAL 42 7.418 -6.463 -12.637 320 H MET 43 H MET 43 5.496 -4.661 -8.079 321 HA MET 43 HA MET 43 4.458 -2.034 -8.476 322 1HB MET 43 2HB MET 43 3.806 -3.452 -6.553 323 2HB MET 43 1HB MET 43 5.447 -3.341 -5.929 324 1HG MET 43 2HG MET 43 5.212 -0.989 -5.557 325 2HG MET 43 1HG MET 43 3.642 -0.973 -6.358 326 1HE MET 43 1HE MET 43 4.416 -3.109 -2.332 327 2HE MET 43 2HE MET 43 5.667 -2.248 -3.229 328 3HE MET 43 3HE MET 43 4.981 -3.737 -3.880 329 H THR 44 H THR 44 5.798 -0.572 -9.331 330 HA THR 44 HA THR 44 8.611 -0.601 -8.562 331 HB THR 44 HB THR 44 8.890 0.934 -10.524 332 HG1 THR 44 1HG THR 44 6.755 0.561 -11.903 333 1HG2 THR 44 1HG2 THR 44 9.163 -1.535 -10.704 334 2HG2 THR 44 2HG2 THR 44 8.612 -0.788 -12.201 335 3HG2 THR 44 3HG2 THR 44 7.468 -1.653 -11.175 336 H ASP 45 H ASP 45 5.818 1.586 -8.604 337 HA ASP 45 HA ASP 45 7.477 3.804 -7.748 338 1HB ASP 45 2HB ASP 45 5.550 4.006 -9.403 339 2HB ASP 45 1HB ASP 45 4.495 3.886 -8.004 340 H ARG 46 H ARG 46 7.996 4.096 -5.789 341 HA ARG 46 HA ARG 46 7.102 3.123 -3.439 342 1HB ARG 46 2HB ARG 46 7.902 5.158 -2.318 343 2HB ARG 46 1HB ARG 46 9.029 4.583 -3.531 344 1HG ARG 46 2HG ARG 46 7.099 6.881 -3.956 345 2HG ARG 46 1HG ARG 46 8.774 7.048 -3.433 346 1HD ARG 46 2HD ARG 46 9.640 6.282 -5.445 347 2HD ARG 46 1HD ARG 46 8.123 5.533 -5.925 348 HE ARG 46 HE ARG 46 7.267 7.706 -6.442 349 1HH1 ARG 46 1HH1 ARG 46 10.700 7.633 -5.713 350 2HH1 ARG 46 2HH1 ARG 46 11.044 9.060 -6.636 351 1HH2 ARG 46 1HH2 ARG 46 7.719 9.580 -7.638 352 2HH2 ARG 46 2HH2 ARG 46 9.350 10.187 -7.715 353 H LEU 47 H LEU 47 5.545 5.848 -5.142 354 HA LEU 47 HA LEU 47 3.908 6.589 -2.959 355 1HB LEU 47 2HB LEU 47 3.931 7.224 -5.870 356 2HB LEU 47 1HB LEU 47 2.439 7.491 -4.990 357 HG LEU 47 HG LEU 47 3.679 9.535 -5.095 358 1HD1 LEU 47 1HD1 LEU 47 2.447 8.982 -3.029 359 2HD1 LEU 47 2HD1 LEU 47 3.789 10.102 -2.774 360 3HD1 LEU 47 3HD1 LEU 47 3.956 8.403 -2.325 361 1HD2 LEU 47 1HD2 LEU 47 5.887 8.630 -5.477 362 2HD2 LEU 47 2HD2 LEU 47 5.948 8.032 -3.817 363 3HD2 LEU 47 3HD2 LEU 47 5.904 9.768 -4.129 364 H ALA 48 H ALA 48 3.733 3.944 -5.095 365 HA ALA 48 HA ALA 48 0.865 3.643 -4.945 366 1HB ALA 48 1HB ALA 48 2.299 2.926 -6.895 367 2HB ALA 48 2HB ALA 48 1.157 1.719 -6.299 368 3HB ALA 48 3HB ALA 48 2.869 1.598 -5.881 369 H GLY 49 H GLY 49 3.576 1.516 -4.026 370 1HA GLY 49 2HA GLY 49 2.661 0.085 -1.961 371 2HA GLY 49 1HA GLY 49 4.217 0.887 -1.875 372 H CYS 50 H CYS 50 3.511 3.585 -1.471 373 HA CYS 50 HA CYS 50 2.862 3.603 1.250 374 1HB CYS 50 2HB CYS 50 3.036 5.748 -0.847 375 2HB CYS 50 1HB CYS 50 2.488 6.131 0.776 376 H ALA 51 H ALA 51 0.885 4.312 -1.621 377 HA ALA 51 HA ALA 51 -1.370 5.254 -0.197 378 1HB ALA 51 1HB ALA 51 -0.983 5.771 -2.555 379 2HB ALA 51 2HB ALA 51 -2.569 5.043 -2.303 380 3HB ALA 51 3HB ALA 51 -1.252 4.079 -2.969 381 H ILE 52 H ILE 52 -0.241 2.071 -0.935 382 HA ILE 52 HA ILE 52 -2.657 0.641 -0.697 383 HB ILE 52 HB ILE 52 0.155 -0.257 -0.039 384 1HG1 ILE 52 2HG1 ILE 52 -0.066 0.451 -2.360 385 2HG1 ILE 52 1HG1 ILE 52 0.080 -1.301 -2.280 386 1HG2 ILE 52 1HG2 ILE 52 -1.474 -1.706 1.031 387 2HG2 ILE 52 2HG2 ILE 52 -0.696 -2.543 -0.313 388 3HG2 ILE 52 3HG2 ILE 52 -2.330 -1.905 -0.498 389 1HD1 ILE 52 1HD1 ILE 52 -2.476 0.240 -2.670 390 2HD1 ILE 52 2HD1 ILE 52 -2.332 -1.516 -2.590 391 3HD1 ILE 52 3HD1 ILE 52 -1.580 -0.630 -3.916 392 H ASN 53 H ASN 53 -0.403 1.892 1.686 393 HA ASN 53 HA ASN 53 -2.364 1.265 3.758 394 1HB ASN 53 2HB ASN 53 -0.434 0.628 5.313 395 2HB ASN 53 1HB ASN 53 -0.952 -0.563 4.134 396 1HD2 ASN 53 1HD2 ASN 53 1.064 2.233 3.368 397 2HD2 ASN 53 2HD2 ASN 53 2.476 1.314 2.982 398 H CYS 54 H CYS 54 -2.481 3.658 3.014 399 HA CYS 54 HA CYS 54 -0.729 5.188 4.810 400 1HB CYS 54 2HB CYS 54 -1.093 7.138 3.424 401 2HB CYS 54 1HB CYS 54 -0.518 5.810 2.427 402 H LEU 55 H LEU 55 -4.033 4.608 3.790 403 HA LEU 55 HA LEU 55 -5.231 6.825 5.017 404 1HB LEU 55 2HB LEU 55 -6.146 5.270 3.210 405 2HB LEU 55 1HB LEU 55 -6.578 4.180 4.509 406 HG LEU 55 HG LEU 55 -7.587 7.016 4.444 407 1HD1 LEU 55 1HD1 LEU 55 -8.848 4.583 3.190 408 2HD1 LEU 55 2HD1 LEU 55 -8.192 5.978 2.329 409 3HD1 LEU 55 3HD1 LEU 55 -9.609 6.166 3.365 410 1HD2 LEU 55 1HD2 LEU 55 -7.823 5.805 6.556 411 2HD2 LEU 55 2HD2 LEU 55 -8.636 4.485 5.714 412 3HD2 LEU 55 3HD2 LEU 55 -9.395 6.074 5.801 413 H ALA 56 H ALA 56 -5.080 3.436 6.128 414 HA ALA 56 HA ALA 56 -6.437 4.152 8.573 415 1HB ALA 56 1HB ALA 56 -5.204 1.526 7.743 416 2HB ALA 56 2HB ALA 56 -6.881 2.004 7.484 417 3HB ALA 56 3HB ALA 56 -6.272 1.782 9.123 418 H THR 57 H THR 57 -3.240 4.076 7.482 419 HA THR 57 HA THR 57 -2.059 3.676 10.078 420 HB THR 57 HB THR 57 -0.752 4.644 7.538 421 HG1 THR 57 1HG THR 57 -1.027 2.033 8.634 422 1HG2 THR 57 1HG2 THR 57 0.255 3.850 10.205 423 2HG2 THR 57 2HG2 THR 57 0.757 5.191 9.181 424 3HG2 THR 57 3HG2 THR 57 1.249 3.542 8.785 425 H LYS 58 H LYS 58 -2.864 6.403 7.962 426 HA LYS 58 HA LYS 58 -1.672 8.295 9.772 427 1HB LYS 58 2HB LYS 58 -3.403 8.679 7.336 428 2HB LYS 58 1HB LYS 58 -2.736 10.003 8.286 429 1HG LYS 58 2HG LYS 58 -0.465 9.037 7.862 430 2HG LYS 58 1HG LYS 58 -1.228 7.923 6.726 431 1HD LYS 58 2HD LYS 58 -0.491 9.657 5.371 432 2HD LYS 58 1HD LYS 58 -2.187 10.058 5.634 433 1HE LYS 58 2HE LYS 58 0.088 11.196 7.255 434 2HE LYS 58 1HE LYS 58 -0.593 11.985 5.836 435 1HZ LYS 58 1HZ LYS 58 -2.692 12.197 6.936 436 2HZ LYS 58 2HZ LYS 58 -1.494 12.811 7.965 437 3HZ LYS 58 3HZ LYS 58 -2.157 11.288 8.263 438 H LEU 59 H LEU 59 -4.732 6.734 9.496 439 HA LEU 59 HA LEU 59 -6.258 8.536 11.024 440 1HB LEU 59 2HB LEU 59 -6.426 5.545 10.781 441 2HB LEU 59 1HB LEU 59 -7.603 6.528 11.633 442 HG LEU 59 HG LEU 59 -7.067 6.370 8.689 443 1HD1 LEU 59 1HD1 LEU 59 -9.507 6.283 10.422 444 2HD1 LEU 59 2HD1 LEU 59 -8.745 4.915 9.606 445 3HD1 LEU 59 3HD1 LEU 59 -9.526 6.188 8.661 446 1HD2 LEU 59 1HD2 LEU 59 -8.447 8.353 8.350 447 2HD2 LEU 59 2HD2 LEU 59 -6.983 8.756 9.247 448 3HD2 LEU 59 3HD2 LEU 59 -8.524 8.612 10.093 449 H ASP 60 H ASP 60 -4.716 5.496 12.145 450 HA ASP 60 HA ASP 60 -3.443 6.644 14.366 451 1HB ASP 60 2HB ASP 60 -5.714 7.018 15.222 452 2HB ASP 60 1HB ASP 60 -6.075 5.304 15.029 453 H VAL 61 H VAL 61 -1.837 5.301 14.743 454 HA VAL 61 HA VAL 61 -2.057 2.561 15.289 455 HB VAL 61 HB VAL 61 -2.602 2.476 12.848 456 1HG1 VAL 61 1HG1 VAL 61 -1.243 4.313 12.079 457 2HG1 VAL 61 2HG1 VAL 61 -0.812 2.835 11.219 458 3HG1 VAL 61 3HG1 VAL 61 0.227 3.438 12.511 459 1HG2 VAL 61 1HG2 VAL 61 0.024 1.123 13.386 460 2HG2 VAL 61 2HG2 VAL 61 -1.293 0.574 12.348 461 3HG2 VAL 61 3HG2 VAL 61 -1.497 0.587 14.101 462 H VAL 62 H VAL 62 -0.825 4.773 16.408 463 HA VAL 62 HA VAL 62 2.009 4.575 15.664 464 HB VAL 62 HB VAL 62 2.272 6.769 16.810 465 1HG1 VAL 62 1HG1 VAL 62 1.191 8.086 15.042 466 2HG1 VAL 62 2HG1 VAL 62 0.250 6.667 14.578 467 3HG1 VAL 62 3HG1 VAL 62 2.006 6.657 14.404 468 1HG2 VAL 62 1HG2 VAL 62 0.266 8.094 17.300 469 2HG2 VAL 62 2HG2 VAL 62 0.358 6.656 18.318 470 3HG2 VAL 62 3HG2 VAL 62 -0.743 6.692 16.940 471 H ASP 63 H ASP 63 3.219 3.365 16.932 472 HA ASP 63 HA ASP 63 2.466 2.558 19.540 473 1HB ASP 63 2HB ASP 63 4.261 1.660 17.657 474 2HB ASP 63 1HB ASP 63 5.321 2.322 18.899 475 HA PRO 64 HA PRO 64 5.679 5.529 21.271 476 1HB PRO 64 2HB PRO 64 7.371 6.820 19.455 477 2HB PRO 64 1HB PRO 64 7.697 5.286 20.262 478 1HG PRO 64 2HG PRO 64 7.322 5.659 17.506 479 2HG PRO 64 1HG PRO 64 7.313 4.108 18.362 480 1HD PRO 64 2HD PRO 64 5.010 5.841 17.544 481 2HD PRO 64 1HD PRO 64 5.156 4.072 17.503 482 H ASP 65 H ASP 65 6.881 8.024 20.287 483 HA ASP 65 HA ASP 65 4.699 9.765 20.937 484 1HB ASP 65 2HB ASP 65 7.616 10.185 20.325 485 2HB ASP 65 1HB ASP 65 6.526 11.541 20.576 486 H GLY 66 H GLY 66 5.116 8.334 18.157 487 1HA GLY 66 2HA GLY 66 3.583 9.468 16.424 488 2HA GLY 66 1HA GLY 66 4.799 10.728 16.483 489 H ASN 67 H ASN 67 7.039 9.974 16.163 490 HA ASN 67 HA ASN 67 7.292 8.725 13.634 491 1HB ASN 67 2HB ASN 67 9.774 8.923 14.189 492 2HB ASN 67 1HB ASN 67 8.854 10.427 14.209 493 1HD2 ASN 67 1HD2 ASN 67 10.518 8.055 16.143 494 2HD2 ASN 67 2HD2 ASN 67 10.516 8.971 17.616 495 H LEU 68 H LEU 68 8.175 6.751 13.071 496 HA LEU 68 HA LEU 68 9.064 4.678 13.224 497 1HB LEU 68 2HB LEU 68 9.812 5.724 15.920 498 2HB LEU 68 1HB LEU 68 10.041 4.025 15.561 499 HG LEU 68 HG LEU 68 12.117 5.155 15.192 500 1HD1 LEU 68 1HD1 LEU 68 11.436 3.390 13.600 501 2HD1 LEU 68 2HD1 LEU 68 12.582 4.549 12.926 502 3HD1 LEU 68 3HD1 LEU 68 10.871 4.646 12.501 503 1HD2 LEU 68 1HD2 LEU 68 10.624 6.996 13.326 504 2HD2 LEU 68 2HD2 LEU 68 12.368 6.980 13.585 505 3HD2 LEU 68 3HD2 LEU 68 11.285 7.428 14.903 506 H HIS 69 H HIS 69 6.213 5.194 13.860 507 HA HIS 69 HA HIS 69 5.470 3.143 15.703 508 1HB HIS 69 2HB HIS 69 3.184 3.403 14.646 509 2HB HIS 69 1HB HIS 69 3.860 4.851 15.378 510 HD1 HIS 69 1HD HIS 69 4.348 6.851 13.829 511 HD2 HIS 69 2HD HIS 69 2.940 3.485 11.823 512 HE1 HIS 69 1HE HIS 69 3.764 7.629 11.515 513 HE2 HIS 69 2HE HIS 69 3.127 5.544 10.260 514 H HIS 70 H HIS 70 7.033 1.584 14.739 515 HA HIS 70 HA HIS 70 6.266 0.405 12.202 516 1HB HIS 70 2HB HIS 70 8.664 0.741 12.865 517 2HB HIS 70 1HB HIS 70 8.441 -0.481 14.109 518 HD1 HIS 70 1HD HIS 70 10.487 -0.740 11.742 519 HD2 HIS 70 2HD HIS 70 6.691 -2.440 11.847 520 HE1 HIS 70 1HE HIS 70 10.578 -2.699 10.169 521 HE2 HIS 70 2HE HIS 70 8.358 -3.857 10.454 522 H GLY 71 H GLY 71 6.450 -0.594 15.618 523 1HA GLY 71 2HA GLY 71 5.788 -3.289 15.256 524 2HA GLY 71 1HA GLY 71 5.535 -2.375 16.732 525 H ASN 72 H ASN 72 3.638 -0.635 16.225 526 HA ASN 72 HA ASN 72 1.295 -2.167 16.197 527 1HB ASN 72 2HB ASN 72 1.783 0.787 16.053 528 2HB ASN 72 1HB ASN 72 0.155 0.147 15.856 529 1HD2 ASN 72 1HD2 ASN 72 0.968 1.847 17.936 530 2HD2 ASN 72 2HD2 ASN 72 0.834 0.984 19.430 531 H ALA 73 H ALA 73 3.005 -0.667 13.532 532 HA ALA 73 HA ALA 73 0.790 -0.630 11.743 533 1HB ALA 73 1HB ALA 73 2.759 0.782 11.400 534 2HB ALA 73 2HB ALA 73 2.452 -0.246 9.999 535 3HB ALA 73 3HB ALA 73 3.743 -0.656 11.129 536 H LYS 74 H LYS 74 3.313 -2.960 12.527 537 HA LYS 74 HA LYS 74 2.503 -4.768 10.435 538 1HB LYS 74 2HB LYS 74 4.369 -5.175 12.764 539 2HB LYS 74 1HB LYS 74 4.102 -6.340 11.473 540 1HG LYS 74 2HG LYS 74 5.285 -3.590 11.218 541 2HG LYS 74 1HG LYS 74 6.101 -5.133 11.025 542 1HD LYS 74 2HD LYS 74 3.821 -4.254 9.275 543 2HD LYS 74 1HD LYS 74 5.513 -3.951 8.883 544 1HE LYS 74 2HE LYS 74 5.937 -6.375 8.933 545 2HE LYS 74 1HE LYS 74 4.234 -6.656 9.290 546 1HZ LYS 74 1HZ LYS 74 3.615 -5.777 7.176 547 2HZ LYS 74 2HZ LYS 74 4.837 -6.920 6.914 548 3HZ LYS 74 3HZ LYS 74 5.199 -5.268 6.845 549 H ASP 75 H ASP 75 2.025 -4.430 13.903 550 HA ASP 75 HA ASP 75 0.492 -6.769 14.291 551 1HB ASP 75 2HB ASP 75 1.328 -5.592 16.214 552 2HB ASP 75 1HB ASP 75 0.486 -4.120 15.745 553 H PHE 76 H PHE 76 -0.346 -3.508 13.227 554 HA PHE 76 HA PHE 76 -3.138 -3.798 13.258 555 1HB PHE 76 2HB PHE 76 -1.815 -1.651 12.983 556 2HB PHE 76 1HB PHE 76 -1.568 -2.110 11.303 557 HD1 PHE 76 1HD PHE 76 -3.307 -1.892 9.699 558 HD2 PHE 76 2HD PHE 76 -4.058 -1.101 13.808 559 HE1 PHE 76 1HE PHE 76 -5.454 -0.842 9.100 560 HE2 PHE 76 2HE PHE 76 -6.203 -0.048 13.223 561 HZ PHE 76 HZ PHE 76 -6.905 0.083 10.864 562 H ALA 77 H ALA 77 -0.697 -4.610 10.845 563 HA ALA 77 HA ALA 77 -2.526 -5.406 8.814 564 1HB ALA 77 1HB ALA 77 -0.509 -6.709 7.962 565 2HB ALA 77 2HB ALA 77 0.369 -6.021 9.330 566 3HB ALA 77 3HB ALA 77 -0.330 -4.959 8.108 567 H MET 78 H MET 78 -0.972 -7.081 11.487 568 HA MET 78 HA MET 78 -1.861 -9.690 10.723 569 1HB MET 78 2HB MET 78 -0.819 -8.639 13.359 570 2HB MET 78 1HB MET 78 -1.149 -10.334 13.028 571 1HG MET 78 2HG MET 78 0.530 -10.342 11.282 572 2HG MET 78 1HG MET 78 0.839 -8.628 11.550 573 1HE MET 78 1HE MET 78 0.079 -11.242 14.369 574 2HE MET 78 2HE MET 78 1.693 -11.855 14.735 575 3HE MET 78 3HE MET 78 0.949 -12.206 13.176 576 H LYS 79 H LYS 79 -3.056 -7.204 12.925 577 HA LYS 79 HA LYS 79 -5.146 -8.930 13.912 578 1HB LYS 79 2HB LYS 79 -3.889 -7.008 15.150 579 2HB LYS 79 1HB LYS 79 -5.042 -5.955 14.349 580 1HG LYS 79 2HG LYS 79 -6.882 -7.173 15.395 581 2HG LYS 79 1HG LYS 79 -5.717 -8.223 16.207 582 1HD LYS 79 2HD LYS 79 -4.710 -6.067 17.148 583 2HD LYS 79 1HD LYS 79 -6.196 -5.284 16.614 584 1HE LYS 79 2HE LYS 79 -6.342 -5.916 18.958 585 2HE LYS 79 1HE LYS 79 -7.500 -6.829 17.989 586 1HZ LYS 79 1HZ LYS 79 -6.184 -8.114 19.699 587 2HZ LYS 79 2HZ LYS 79 -4.835 -7.914 18.688 588 3HZ LYS 79 3HZ LYS 79 -6.203 -8.751 18.129 589 H HIS 80 H HIS 80 -4.689 -7.030 11.161 590 HA HIS 80 HA HIS 80 -7.549 -7.138 10.551 591 1HB HIS 80 2HB HIS 80 -5.962 -4.595 10.116 592 2HB HIS 80 1HB HIS 80 -7.677 -4.842 9.817 593 HD1 HIS 80 1HD HIS 80 -9.234 -4.965 11.935 594 HD2 HIS 80 2HD HIS 80 -5.286 -3.896 12.693 595 HE1 HIS 80 1HE HIS 80 -9.220 -4.018 14.270 596 HE2 HIS 80 2HE HIS 80 -6.794 -3.529 14.764 597 H GLY 81 H GLY 81 -7.057 -8.732 8.988 598 1HA GLY 81 2HA GLY 81 -7.161 -8.499 6.513 599 2HA GLY 81 1HA GLY 81 -5.660 -7.601 6.644 600 H ALA 82 H ALA 82 -3.914 -8.966 7.950 601 HA ALA 82 HA ALA 82 -3.789 -11.483 6.431 602 1HB ALA 82 1HB ALA 82 -1.348 -10.263 7.626 603 2HB ALA 82 2HB ALA 82 -2.052 -9.530 6.182 604 3HB ALA 82 3HB ALA 82 -1.533 -11.215 6.152 605 H ASP 83 H ASP 83 -3.468 -13.381 7.401 606 HA ASP 83 HA ASP 83 -3.382 -13.500 10.287 607 1HB ASP 83 2HB ASP 83 -3.807 -15.773 10.137 608 2HB ASP 83 1HB ASP 83 -4.631 -15.139 8.728 609 H GLU 84 H GLU 84 -1.747 -15.392 11.012 610 HA GLU 84 HA GLU 84 0.494 -13.824 11.087 611 1HB GLU 84 2HB GLU 84 -0.247 -16.475 12.204 612 2HB GLU 84 1HB GLU 84 1.451 -16.018 12.235 613 1HG GLU 84 2HG GLU 84 0.725 -13.890 13.382 614 2HG GLU 84 1HG GLU 84 -0.863 -14.631 13.558 615 H THR 85 H THR 85 -0.242 -16.706 9.190 616 HA THR 85 HA THR 85 2.424 -17.352 8.558 617 HB THR 85 HB THR 85 0.593 -18.939 8.139 618 HG1 THR 85 1HG THR 85 2.237 -19.598 6.941 619 1HG2 THR 85 1HG2 THR 85 -1.068 -17.386 7.258 620 2HG2 THR 85 2HG2 THR 85 -0.797 -18.734 6.151 621 3HG2 THR 85 3HG2 THR 85 -0.094 -17.152 5.807 622 H MET 86 H MET 86 0.188 -14.989 7.110 623 HA MET 86 HA MET 86 1.906 -14.672 4.808 624 1HB MET 86 2HB MET 86 -0.516 -13.045 5.609 625 2HB MET 86 1HB MET 86 0.278 -13.037 4.039 626 1HG MET 86 2HG MET 86 -0.288 -15.438 3.811 627 2HG MET 86 1HG MET 86 -1.188 -15.310 5.322 628 1HE MET 86 1HE MET 86 -4.139 -12.954 4.368 629 2HE MET 86 2HE MET 86 -2.628 -12.551 5.184 630 3HE MET 86 3HE MET 86 -3.477 -14.045 5.588 631 H ALA 87 H ALA 87 1.019 -12.934 7.711 632 HA ALA 87 HA ALA 87 2.631 -10.675 7.342 633 1HB ALA 87 1HB ALA 87 1.642 -12.137 9.771 634 2HB ALA 87 2HB ALA 87 1.054 -10.620 9.090 635 3HB ALA 87 3HB ALA 87 2.623 -10.676 9.896 636 H GLN 88 H GLN 88 3.274 -13.922 8.551 637 HA GLN 88 HA GLN 88 5.923 -13.316 9.459 638 1HB GLN 88 2HB GLN 88 4.188 -15.663 9.391 639 2HB GLN 88 1HB GLN 88 5.891 -16.040 9.157 640 1HG GLN 88 2HG GLN 88 5.045 -16.077 11.534 641 2HG GLN 88 1HG GLN 88 6.495 -15.122 11.229 642 1HE2 GLN 88 1HE2 GLN 88 3.116 -15.035 12.057 643 2HE2 GLN 88 2HE2 GLN 88 3.077 -13.361 12.508 644 H GLN 89 H GLN 89 4.564 -14.383 6.413 645 HA GLN 89 HA GLN 89 7.126 -15.148 5.354 646 1HB GLN 89 2HB GLN 89 4.609 -14.534 3.776 647 2HB GLN 89 1HB GLN 89 6.041 -15.359 3.192 648 1HG GLN 89 2HG GLN 89 3.999 -16.353 5.153 649 2HG GLN 89 1HG GLN 89 4.403 -17.000 3.565 650 1HE2 GLN 89 1HE2 GLN 89 4.342 -18.238 6.221 651 2HE2 GLN 89 2HE2 GLN 89 5.925 -18.916 6.466 652 H LEU 90 H LEU 90 5.343 -12.220 5.741 653 HA LEU 90 HA LEU 90 6.863 -10.801 3.732 654 1HB LEU 90 2HB LEU 90 4.572 -10.200 5.481 655 2HB LEU 90 1HB LEU 90 5.633 -8.847 5.166 656 HG LEU 90 HG LEU 90 3.764 -8.846 3.623 657 1HD1 LEU 90 1HD1 LEU 90 4.953 -8.643 1.546 658 2HD1 LEU 90 2HD1 LEU 90 6.279 -9.633 2.166 659 3HD1 LEU 90 3HD1 LEU 90 5.973 -8.037 2.856 660 1HD2 LEU 90 1HD2 LEU 90 3.249 -11.208 3.617 661 2HD2 LEU 90 2HD2 LEU 90 4.754 -11.556 2.763 662 3HD2 LEU 90 3HD2 LEU 90 3.483 -10.625 1.969 663 H VAL 91 H VAL 91 6.626 -10.869 7.267 664 HA VAL 91 HA VAL 91 8.263 -8.680 7.820 665 HB VAL 91 HB VAL 91 8.538 -9.719 10.082 666 1HG1 VAL 91 1HG1 VAL 91 5.987 -9.884 10.494 667 2HG1 VAL 91 2HG1 VAL 91 5.860 -9.402 8.798 668 3HG1 VAL 91 3HG1 VAL 91 6.675 -8.351 9.956 669 1HG2 VAL 91 1HG2 VAL 91 7.276 -11.980 8.657 670 2HG2 VAL 91 2HG2 VAL 91 7.008 -11.773 10.388 671 3HG2 VAL 91 3HG2 VAL 91 8.647 -11.992 9.762 672 H ASP 92 H ASP 92 9.161 -12.073 7.331 673 HA ASP 92 HA ASP 92 11.808 -11.750 8.303 674 1HB ASP 92 2HB ASP 92 10.757 -13.941 8.323 675 2HB ASP 92 1HB ASP 92 10.622 -13.928 6.569 676 H ILE 93 H ILE 93 10.352 -11.790 5.086 677 HA ILE 93 HA ILE 93 12.740 -11.497 3.636 678 HB ILE 93 HB ILE 93 9.883 -10.917 3.028 679 1HG1 ILE 93 2HG1 ILE 93 10.426 -13.197 2.819 680 2HG1 ILE 93 1HG1 ILE 93 10.463 -12.561 1.181 681 1HG2 ILE 93 1HG2 ILE 93 11.270 -9.123 2.003 682 2HG2 ILE 93 2HG2 ILE 93 10.375 -10.117 0.849 683 3HG2 ILE 93 3HG2 ILE 93 12.104 -10.379 1.084 684 1HD1 ILE 93 1HD1 ILE 93 12.871 -13.026 2.914 685 2HD1 ILE 93 2HD1 ILE 93 12.879 -12.426 1.255 686 3HD1 ILE 93 3HD1 ILE 93 12.326 -14.067 1.596 687 H ILE 94 H ILE 94 10.459 -9.149 4.981 688 HA ILE 94 HA ILE 94 11.523 -6.795 4.030 689 HB ILE 94 HB ILE 94 10.430 -7.278 6.789 690 1HG1 ILE 94 2HG1 ILE 94 9.155 -6.286 4.231 691 2HG1 ILE 94 1HG1 ILE 94 8.872 -7.838 5.015 692 1HG2 ILE 94 1HG2 ILE 94 10.038 -4.861 6.856 693 2HG2 ILE 94 2HG2 ILE 94 10.851 -4.684 5.300 694 3HG2 ILE 94 3HG2 ILE 94 11.757 -5.228 6.713 695 1HD1 ILE 94 1HD1 ILE 94 8.149 -6.451 7.018 696 2HD1 ILE 94 2HD1 ILE 94 7.049 -6.583 5.649 697 3HD1 ILE 94 3HD1 ILE 94 8.011 -5.119 5.876 698 H HIS 95 H HIS 95 12.559 -8.661 6.868 699 HA HIS 95 HA HIS 95 14.518 -6.716 7.641 700 1HB HIS 95 2HB HIS 95 14.456 -9.635 8.458 701 2HB HIS 95 1HB HIS 95 15.261 -8.315 9.286 702 HD1 HIS 95 1HD HIS 95 13.063 -10.247 10.508 703 HD2 HIS 95 2HD HIS 95 12.419 -6.382 9.109 704 HE1 HIS 95 1HE HIS 95 11.047 -9.398 11.753 705 HE2 HIS 95 2HE HIS 95 10.823 -6.989 11.054 706 H GLY 96 H GLY 96 14.545 -9.577 5.638 707 1HA GLY 96 2HA GLY 96 17.435 -9.766 5.678 708 2HA GLY 96 1HA GLY 96 16.326 -10.837 4.829 709 H CYS 97 H CYS 97 14.928 -9.139 3.234 710 HA CYS 97 HA CYS 97 16.845 -8.715 1.207 711 1HB CYS 97 2HB CYS 97 13.936 -7.908 1.206 712 2HB CYS 97 1HB CYS 97 14.995 -8.028 -0.195 713 H GLU 98 H GLU 98 15.015 -6.482 3.350 714 HA GLU 98 HA GLU 98 16.070 -4.126 2.221 715 1HB GLU 98 2HB GLU 98 14.558 -4.757 4.552 716 2HB GLU 98 1HB GLU 98 15.919 -3.761 5.044 717 1HG GLU 98 2HG GLU 98 15.219 -2.216 3.113 718 2HG GLU 98 1HG GLU 98 13.698 -3.106 3.151 719 H LYS 99 H LYS 99 17.428 -6.344 4.656 720 HA LYS 99 HA LYS 99 19.662 -4.759 5.302 721 1HB LYS 99 2HB LYS 99 19.000 -6.665 6.670 722 2HB LYS 99 1HB LYS 99 19.336 -7.768 5.343 723 1HG LYS 99 2HG LYS 99 21.688 -7.197 5.442 724 2HG LYS 99 1HG LYS 99 21.371 -6.055 6.746 725 1HD LYS 99 2HD LYS 99 20.576 -7.900 8.155 726 2HD LYS 99 1HD LYS 99 20.918 -9.038 6.849 727 1HE LYS 99 2HE LYS 99 23.278 -8.455 6.939 728 2HE LYS 99 1HE LYS 99 22.953 -7.265 8.197 729 1HZ LYS 99 1HZ LYS 99 22.572 -10.201 8.435 730 2HZ LYS 99 2HZ LYS 99 22.209 -9.070 9.642 731 3HZ LYS 99 3HZ LYS 99 23.814 -9.294 9.144 732 H SER 100 H SER 100 19.052 -7.027 2.698 733 HA SER 100 HA SER 100 21.757 -6.554 1.649 734 1HB SER 100 2HB SER 100 19.774 -8.716 0.897 735 2HB SER 100 1HB SER 100 21.456 -8.606 0.376 736 HG SER 100 HG SER 100 22.063 -9.452 2.206 737 H ALA 101 H ALA 101 19.438 -4.710 1.415 738 HA ALA 101 HA ALA 101 18.553 -4.950 -1.340 739 1HB ALA 101 1HB ALA 101 17.926 -2.846 0.729 740 2HB ALA 101 2HB ALA 101 16.947 -4.268 0.369 741 3HB ALA 101 3HB ALA 101 17.153 -3.006 -0.847 742 HA PRO 102 HA PRO 102 21.400 -1.997 -3.155 743 1HB PRO 102 2HB PRO 102 19.016 -1.053 -4.646 744 2HB PRO 102 1HB PRO 102 20.564 -1.637 -5.263 745 1HG PRO 102 2HG PRO 102 18.342 -3.121 -5.437 746 2HG PRO 102 1HG PRO 102 19.930 -3.851 -5.144 747 1HD PRO 102 2HD PRO 102 17.695 -3.346 -3.231 748 2HD PRO 102 1HD PRO 102 18.831 -4.708 -3.310 749 HA PRO 103 HA PRO 103 20.591 1.569 -0.696 750 1HB PRO 103 2HB PRO 103 22.125 3.166 -2.632 751 2HB PRO 103 1HB PRO 103 22.478 2.810 -0.939 752 1HG PRO 103 2HG PRO 103 23.892 1.705 -2.934 753 2HG PRO 103 1HG PRO 103 23.532 0.820 -1.439 754 1HD PRO 103 2HD PRO 103 22.214 0.620 -4.125 755 2HD PRO 103 1HD PRO 103 22.673 -0.675 -2.996 756 H ASN 104 H ASN 104 18.306 1.326 -1.743 757 HA ASN 104 HA ASN 104 17.691 3.783 -3.228 758 1HB ASN 104 2HB ASN 104 15.817 1.554 -2.381 759 2HB ASN 104 1HB ASN 104 15.412 2.909 -3.425 760 1HD2 ASN 104 1HD2 ASN 104 16.912 -0.181 -3.192 761 2HD2 ASN 104 2HD2 ASN 104 17.188 -0.409 -4.882 762 H ASP 105 H ASP 105 18.027 5.308 -1.641 763 HA ASP 105 HA ASP 105 16.925 4.918 0.987 764 1HB ASP 105 2HB ASP 105 18.543 7.104 -0.280 765 2HB ASP 105 1HB ASP 105 17.762 7.352 1.280 766 H ASP 106 H ASP 106 14.740 4.655 0.201 767 HA ASP 106 HA ASP 106 13.396 7.218 0.495 768 1HB ASP 106 2HB ASP 106 13.368 6.880 -1.921 769 2HB ASP 106 1HB ASP 106 12.689 5.267 -1.705 770 H LYS 107 H LYS 107 11.981 7.128 1.981 771 HA LYS 107 HA LYS 107 11.135 5.374 3.715 772 1HB LYS 107 2HB LYS 107 10.271 7.604 3.607 773 2HB LYS 107 1HB LYS 107 9.366 7.238 2.149 774 1HG LYS 107 2HG LYS 107 7.969 5.672 3.464 775 2HG LYS 107 1HG LYS 107 8.834 6.186 4.919 776 1HD LYS 107 2HD LYS 107 6.720 7.410 4.638 777 2HD LYS 107 1HD LYS 107 8.119 8.486 4.550 778 1HE LYS 107 2HE LYS 107 7.842 7.827 1.944 779 2HE LYS 107 1HE LYS 107 6.163 7.738 2.473 780 1HZ LYS 107 1HZ LYS 107 6.313 9.997 3.284 781 2HZ LYS 107 2HZ LYS 107 6.764 9.944 1.650 782 3HZ LYS 107 3HZ LYS 107 7.953 10.079 2.853 783 H CYS 108 H CYS 108 9.349 5.447 0.548 784 HA CYS 108 HA CYS 108 8.103 2.940 1.340 785 1HB CYS 108 2HB CYS 108 7.375 5.166 -0.329 786 2HB CYS 108 1HB CYS 108 7.192 3.654 -1.211 787 H MET 109 H MET 109 10.800 3.867 -0.577 788 HA MET 109 HA MET 109 10.386 1.936 -2.644 789 1HB MET 109 2HB MET 109 12.716 3.680 -1.922 790 2HB MET 109 1HB MET 109 12.835 2.458 -3.181 791 1HG MET 109 2HG MET 109 10.897 4.758 -3.119 792 2HG MET 109 1HG MET 109 12.343 4.635 -4.120 793 1HE MET 109 1HE MET 109 11.431 1.731 -6.567 794 2HE MET 109 2HE MET 109 12.336 1.632 -5.058 795 3HE MET 109 3HE MET 109 12.608 2.981 -6.163 796 H LYS 110 H LYS 110 12.104 1.971 0.406 797 HA LYS 110 HA LYS 110 13.639 -0.378 -0.024 798 1HB LYS 110 2HB LYS 110 13.696 -0.603 2.440 799 2HB LYS 110 1HB LYS 110 14.146 1.007 1.900 800 1HG LYS 110 2HG LYS 110 11.317 0.781 2.482 801 2HG LYS 110 1HG LYS 110 12.322 0.336 3.862 802 1HD LYS 110 2HD LYS 110 12.570 2.886 2.281 803 2HD LYS 110 1HD LYS 110 11.725 2.724 3.821 804 1HE LYS 110 2HE LYS 110 14.662 2.215 3.337 805 2HE LYS 110 1HE LYS 110 13.976 3.637 4.120 806 1HZ LYS 110 1HZ LYS 110 13.939 0.840 5.119 807 2HZ LYS 110 2HZ LYS 110 13.037 2.101 5.815 808 3HZ LYS 110 3HZ LYS 110 14.728 2.177 5.806 809 H THR 111 H THR 111 10.543 0.103 1.535 810 HA THR 111 HA THR 111 9.784 -2.502 1.947 811 HB THR 111 HB THR 111 8.722 0.069 2.241 812 HG1 THR 111 1HG THR 111 8.125 -0.984 3.956 813 1HG2 THR 111 1HG2 THR 111 7.282 -0.062 0.318 814 2HG2 THR 111 2HG2 THR 111 6.274 -0.408 1.722 815 3HG2 THR 111 3HG2 THR 111 6.833 -1.727 0.696 816 H ILE 112 H ILE 112 10.225 -0.982 -1.085 817 HA ILE 112 HA ILE 112 8.233 -2.666 -2.396 818 HB ILE 112 HB ILE 112 9.560 -0.209 -3.090 819 1HG1 ILE 112 2HG1 ILE 112 7.646 -0.544 -4.966 820 2HG1 ILE 112 1HG1 ILE 112 7.113 -1.711 -3.760 821 1HG2 ILE 112 1HG2 ILE 112 9.610 -2.335 -5.227 822 2HG2 ILE 112 2HG2 ILE 112 11.011 -1.542 -4.503 823 3HG2 ILE 112 3HG2 ILE 112 9.885 -0.612 -5.491 824 1HD1 ILE 112 1HD1 ILE 112 7.258 0.132 -2.063 825 2HD1 ILE 112 2HD1 ILE 112 6.000 0.309 -3.288 826 3HD1 ILE 112 3HD1 ILE 112 7.490 1.244 -3.412 827 H ASP 113 H ASP 113 11.711 -2.220 -2.120 828 HA ASP 113 HA ASP 113 12.491 -4.269 -3.869 829 1HB ASP 113 2HB ASP 113 13.965 -2.458 -2.879 830 2HB ASP 113 1HB ASP 113 14.017 -3.414 -1.403 831 H VAL 114 H VAL 114 11.516 -4.307 -0.476 832 HA VAL 114 HA VAL 114 12.240 -7.073 -0.148 833 HB VAL 114 HB VAL 114 10.987 -6.931 2.009 834 1HG1 VAL 114 1HG1 VAL 114 13.041 -4.763 1.712 835 2HG1 VAL 114 2HG1 VAL 114 13.440 -6.482 1.715 836 3HG1 VAL 114 3HG1 VAL 114 12.698 -5.747 3.136 837 1HG2 VAL 114 1HG2 VAL 114 10.845 -4.040 1.355 838 2HG2 VAL 114 2HG2 VAL 114 10.319 -4.792 2.855 839 3HG2 VAL 114 3HG2 VAL 114 9.461 -5.120 1.344 840 H ALA 115 H ALA 115 9.290 -5.205 -0.747 841 HA ALA 115 HA ALA 115 7.438 -7.288 -0.564 842 1HB ALA 115 1HB ALA 115 7.061 -4.793 -0.801 843 2HB ALA 115 2HB ALA 115 5.931 -5.865 -1.634 844 3HB ALA 115 3HB ALA 115 7.210 -5.051 -2.541 845 H MET 116 H MET 116 9.187 -6.077 -3.433 846 HA MET 116 HA MET 116 8.118 -8.137 -5.064 847 1HB MET 116 2HB MET 116 9.699 -7.464 -6.800 848 2HB MET 116 1HB MET 116 8.822 -6.106 -6.133 849 1HG MET 116 2HG MET 116 10.770 -5.354 -4.952 850 2HG MET 116 1HG MET 116 11.670 -6.800 -5.433 851 1HE MET 116 1HE MET 116 13.625 -5.307 -6.275 852 2HE MET 116 2HE MET 116 12.780 -3.809 -5.887 853 3HE MET 116 3HE MET 116 13.469 -4.042 -7.494 854 H CYS 117 H CYS 117 10.607 -8.056 -2.776 855 HA CYS 117 HA CYS 117 12.162 -10.284 -3.694 856 1HB CYS 117 2HB CYS 117 12.852 -8.417 -2.073 857 2HB CYS 117 1HB CYS 117 11.942 -9.300 -0.858 858 H PHE 118 H PHE 118 9.241 -9.786 -2.015 859 HA PHE 118 HA PHE 118 9.117 -12.394 -0.849 860 1HB PHE 118 2HB PHE 118 7.936 -10.688 0.322 861 2HB PHE 118 1HB PHE 118 7.076 -10.190 -1.131 862 HD1 PHE 118 1HD PHE 118 7.519 -13.152 1.089 863 HD2 PHE 118 2HD PHE 118 4.929 -10.948 -1.468 864 HE1 PHE 118 1HE PHE 118 5.663 -14.657 1.674 865 HE2 PHE 118 2HE PHE 118 3.068 -12.444 -0.882 866 HZ PHE 118 HZ PHE 118 3.435 -14.304 0.689 867 H LYS 119 H LYS 119 7.706 -10.813 -3.732 868 HA LYS 119 HA LYS 119 6.299 -13.178 -4.461 869 1HB LYS 119 2HB LYS 119 5.739 -12.204 -6.470 870 2HB LYS 119 1HB LYS 119 5.979 -10.804 -5.449 871 1HG LYS 119 2HG LYS 119 8.476 -11.192 -6.500 872 2HG LYS 119 1HG LYS 119 7.423 -11.696 -7.823 873 1HD LYS 119 2HD LYS 119 6.309 -9.571 -7.813 874 2HD LYS 119 1HD LYS 119 7.210 -9.063 -6.379 875 1HE LYS 119 2HE LYS 119 8.267 -8.071 -8.279 876 2HE LYS 119 1HE LYS 119 9.310 -9.366 -7.680 877 1HZ LYS 119 1HZ LYS 119 7.433 -9.625 -9.974 878 2HZ LYS 119 2HZ LYS 119 8.536 -10.796 -9.436 879 3HZ LYS 119 3HZ LYS 119 9.103 -9.348 -10.115 880 H LYS 120 H LYS 120 9.644 -12.126 -5.017 881 HA LYS 120 HA LYS 120 10.382 -14.144 -6.819 882 1HB LYS 120 2HB LYS 120 11.821 -12.490 -4.848 883 2HB LYS 120 1HB LYS 120 12.579 -14.037 -5.187 884 1HG LYS 120 2HG LYS 120 13.596 -12.707 -6.742 885 2HG LYS 120 1HG LYS 120 12.239 -13.326 -7.683 886 1HD LYS 120 2HD LYS 120 12.400 -10.975 -8.081 887 2HD LYS 120 1HD LYS 120 10.979 -11.254 -7.072 888 1HE LYS 120 2HE LYS 120 12.067 -9.384 -6.128 889 2HE LYS 120 1HE LYS 120 12.449 -10.753 -5.084 890 1HZ LYS 120 1HZ LYS 120 14.261 -9.743 -7.208 891 2HZ LYS 120 2HZ LYS 120 14.611 -10.930 -6.047 892 3HZ LYS 120 3HZ LYS 120 14.378 -9.323 -5.572 893 H GLU 121 H GLU 121 10.593 -14.202 -3.268 894 HA GLU 121 HA GLU 121 11.111 -16.922 -2.980 895 1HB GLU 121 2HB GLU 121 9.597 -15.089 -1.118 896 2HB GLU 121 1HB GLU 121 10.137 -16.706 -0.690 897 1HG GLU 121 2HG GLU 121 11.807 -14.277 -1.264 898 2HG GLU 121 1HG GLU 121 11.724 -15.235 0.208 899 H ILE 122 H ILE 122 7.871 -15.341 -2.846 900 HA ILE 122 HA ILE 122 6.345 -17.592 -2.493 901 HB ILE 122 HB ILE 122 5.818 -14.965 -2.741 902 1HG1 ILE 122 2HG1 ILE 122 4.529 -16.755 -1.558 903 2HG1 ILE 122 1HG1 ILE 122 3.557 -15.504 -2.311 904 1HG2 ILE 122 1HG2 ILE 122 4.009 -15.149 -4.675 905 2HG2 ILE 122 2HG2 ILE 122 5.248 -16.183 -5.357 906 3HG2 ILE 122 3HG2 ILE 122 5.623 -14.512 -4.932 907 1HD1 ILE 122 1HD1 ILE 122 3.033 -17.004 -4.155 908 2HD1 ILE 122 2HD1 ILE 122 2.580 -17.718 -2.607 909 3HD1 ILE 122 3HD1 ILE 122 4.045 -18.254 -3.430 910 H HIS 123 H HIS 123 7.670 -16.311 -5.549 911 HA HIS 123 HA HIS 123 6.221 -18.130 -7.177 912 1HB HIS 123 2HB HIS 123 8.744 -16.564 -7.722 913 2HB HIS 123 1HB HIS 123 7.948 -17.561 -8.933 914 HD1 HIS 123 1HD HIS 123 8.116 -14.808 -9.798 915 HD2 HIS 123 2HD HIS 123 5.089 -15.996 -7.203 916 HE1 HIS 123 1HE HIS 123 6.296 -13.081 -10.033 917 HE2 HIS 123 2HE HIS 123 4.424 -13.884 -8.542 918 H LYS 124 H LYS 124 9.352 -18.312 -5.557 919 HA LYS 124 HA LYS 124 10.210 -20.742 -6.716 920 1HB LYS 124 2HB LYS 124 11.629 -19.069 -5.560 921 2HB LYS 124 1HB LYS 124 10.853 -19.493 -4.046 922 1HG LYS 124 2HG LYS 124 11.824 -21.669 -4.074 923 2HG LYS 124 1HG LYS 124 12.441 -21.426 -5.714 924 1HD LYS 124 2HD LYS 124 14.254 -21.043 -4.195 925 2HD LYS 124 1HD LYS 124 13.734 -19.484 -4.854 926 1HE LYS 124 2HE LYS 124 12.273 -19.288 -2.772 927 2HE LYS 124 1HE LYS 124 13.232 -20.617 -2.119 928 1HZ LYS 124 1HZ LYS 124 14.385 -18.079 -3.132 929 2HZ LYS 124 2HZ LYS 124 15.203 -19.306 -2.296 930 3HZ LYS 124 3HZ LYS 124 14.033 -18.363 -1.499 931 H LEU 125 H LEU 125 8.307 -19.895 -3.880 932 HA LEU 125 HA LEU 125 7.957 -22.495 -2.856 933 1HB LEU 125 2HB LEU 125 6.082 -20.135 -2.718 934 2HB LEU 125 1HB LEU 125 5.977 -21.571 -1.718 935 HG LEU 125 HG LEU 125 8.249 -19.580 -1.701 936 1HD1 LEU 125 1HD1 LEU 125 6.212 -18.683 -0.719 937 2HD1 LEU 125 2HD1 LEU 125 7.419 -19.004 0.527 938 3HD1 LEU 125 3HD1 LEU 125 6.063 -20.109 0.306 939 1HD2 LEU 125 1HD2 LEU 125 7.759 -22.003 0.030 940 2HD2 LEU 125 2HD2 LEU 125 9.056 -20.827 0.237 941 3HD2 LEU 125 3HD2 LEU 125 9.012 -21.847 -1.200 942 H ASN 126 H ASN 126 6.259 -20.738 -5.390 943 HA ASN 126 HA ASN 126 5.022 -21.449 -7.131 944 1HB ASN 126 2HB ASN 126 5.562 -24.176 -5.981 945 2HB ASN 126 1HB ASN 126 4.476 -23.944 -7.345 946 1HD2 ASN 126 1HD2 ASN 126 7.741 -24.043 -6.282 947 2HD2 ASN 126 2HD2 ASN 126 8.475 -23.841 -7.834 948 H TRP 127 H TRP 127 3.009 -20.983 -7.322 949 HA TRP 127 HA TRP 127 0.844 -20.550 -6.827 950 1HB TRP 127 2HB TRP 127 0.981 -23.455 -6.005 951 2HB TRP 127 1HB TRP 127 -0.494 -22.573 -6.404 952 HD1 TRP 127 HD TRP 127 2.903 -23.268 -8.140 953 HE1 TRP 127 1HE TRP 127 2.476 -23.645 -10.624 954 HE3 TRP 127 3HE TRP 127 -2.167 -22.627 -8.188 955 HZ2 TRP 127 2HZ TRP 127 0.272 -23.706 -12.402 956 HZ3 TRP 127 3HZ TRP 127 -3.359 -22.871 -10.326 957 HH2 TRP 127 HH TRP 127 -2.165 -23.399 -12.387 958 H VAL 128 H VAL 128 -0.836 -21.818 -4.835 959 HA VAL 128 HA VAL 128 0.222 -20.556 -2.404 960 HB VAL 128 HB VAL 128 -1.186 -18.893 -3.464 961 1HG1 VAL 128 1HG1 VAL 128 -3.573 -19.270 -3.870 962 2HG1 VAL 128 2HG1 VAL 128 -3.372 -20.966 -3.427 963 3HG1 VAL 128 3HG1 VAL 128 -2.559 -20.325 -4.855 964 1HG2 VAL 128 1HG2 VAL 128 -2.813 -18.498 -1.675 965 2HG2 VAL 128 2HG2 VAL 128 -1.244 -18.991 -1.038 966 3HG2 VAL 128 3HG2 VAL 128 -2.572 -20.147 -1.099 967 HA PRO 129 HA PRO 129 -1.256 -24.382 -0.665 968 1HB PRO 129 2HB PRO 129 -0.566 -23.318 1.943 969 2HB PRO 129 1HB PRO 129 0.243 -24.579 1.011 970 1HG PRO 129 2HG PRO 129 1.343 -22.132 1.489 971 2HG PRO 129 1HG PRO 129 1.717 -23.109 0.058 972 1HD PRO 129 2HD PRO 129 -0.142 -20.775 0.328 973 2HD PRO 129 1HD PRO 129 0.992 -21.170 -0.983 974 H ASN 130 H ASN 130 -2.936 -21.704 -0.718 975 HA ASN 130 HA ASN 130 -4.821 -22.525 1.387 976 1HB ASN 130 2HB ASN 130 -4.017 -20.315 1.888 977 2HB ASN 130 1HB ASN 130 -4.266 -19.790 0.228 978 1HD2 ASN 130 1HD2 ASN 130 -5.871 -20.679 3.220 979 2HD2 ASN 130 2HD2 ASN 130 -7.362 -19.872 2.865 980 H MET 131 H MET 131 -6.705 -23.303 0.715 981 HA MET 131 HA MET 131 -7.430 -22.960 -2.106 982 1HB MET 131 2HB MET 131 -8.605 -24.826 -0.039 983 2HB MET 131 1HB MET 131 -9.016 -24.792 -1.746 984 1HG MET 131 2HG MET 131 -6.628 -25.360 -2.234 985 2HG MET 131 1HG MET 131 -6.409 -25.609 -0.501 986 1HE MET 131 1HE MET 131 -9.460 -26.736 0.082 987 2HE MET 131 2HE MET 131 -8.019 -27.354 0.892 988 3HE MET 131 3HE MET 131 -9.128 -28.470 0.093 989 H ASP 132 H ASP 132 -8.463 -21.054 -2.300 990 HA ASP 132 HA ASP 132 -10.735 -20.553 -0.524 991 1HB ASP 132 2HB ASP 132 -10.737 -18.264 -1.503 992 2HB ASP 132 1HB ASP 132 -9.246 -18.665 -0.667 993 H LEU 133 H LEU 133 -12.479 -21.573 -1.224 994 HA LEU 133 HA LEU 133 -13.005 -22.244 -3.912 995 1HB LEU 133 2HB LEU 133 -13.969 -23.418 -1.954 996 2HB LEU 133 1HB LEU 133 -14.958 -22.011 -1.621 997 HG LEU 133 HG LEU 133 -16.086 -22.323 -3.811 998 1HD1 LEU 133 1HD1 LEU 133 -14.279 -23.500 -4.961 999 2HD1 LEU 133 2HD1 LEU 133 -15.786 -24.413 -5.020 1000 3HD1 LEU 133 3HD1 LEU 133 -14.509 -24.891 -3.903 1001 1HD2 LEU 133 1HD2 LEU 133 -16.149 -24.700 -1.957 1002 2HD2 LEU 133 2HD2 LEU 133 -17.390 -24.287 -3.142 1003 3HD2 LEU 133 3HD2 LEU 133 -17.079 -23.212 -1.779 1004 H VAL 134 H VAL 134 -13.757 -19.496 -1.962 1005 HA VAL 134 HA VAL 134 -15.671 -18.263 -3.636 1006 HB VAL 134 HB VAL 134 -14.819 -16.127 -2.408 1007 1HG1 VAL 134 1HG1 VAL 134 -15.897 -18.467 -0.841 1008 2HG1 VAL 134 2HG1 VAL 134 -16.850 -17.340 -1.805 1009 3HG1 VAL 134 3HG1 VAL 134 -16.000 -16.772 -0.368 1010 1HG2 VAL 134 1HG2 VAL 134 -13.373 -18.265 -0.844 1011 2HG2 VAL 134 2HG2 VAL 134 -13.552 -16.579 -0.363 1012 3HG2 VAL 134 3HG2 VAL 134 -12.618 -16.992 -1.801 1013 H ILE 135 H ILE 135 -15.371 -17.467 -5.634 1014 HA ILE 135 HA ILE 135 -12.658 -16.575 -6.321 1015 HB ILE 135 HB ILE 135 -13.760 -17.120 -8.808 1016 1HG1 ILE 135 2HG1 ILE 135 -14.224 -19.555 -8.768 1017 2HG1 ILE 135 1HG1 ILE 135 -14.308 -19.518 -7.019 1018 1HG2 ILE 135 1HG2 ILE 135 -11.450 -17.322 -8.195 1019 2HG2 ILE 135 2HG2 ILE 135 -12.008 -18.827 -8.925 1020 3HG2 ILE 135 3HG2 ILE 135 -11.806 -18.718 -7.177 1021 1HD1 ILE 135 1HD1 ILE 135 -16.193 -17.791 -7.371 1022 2HD1 ILE 135 2HD1 ILE 135 -16.530 -19.477 -7.749 1023 3HD1 ILE 135 3HD1 ILE 135 -16.180 -18.336 -9.045 1024 H GLY 136 H GLY 136 -12.539 -14.520 -6.605 1025 1HA GLY 136 2HA GLY 136 -14.673 -12.751 -6.647 1026 2HA GLY 136 1HA GLY 136 -13.043 -12.366 -7.175 1027 H GLU 137 H GLU 137 -15.943 -11.902 -8.132 1028 HA GLU 137 HA GLU 137 -16.200 -13.107 -10.673 1029 1HB GLU 137 2HB GLU 137 -17.995 -12.023 -9.240 1030 2HB GLU 137 1HB GLU 137 -17.378 -10.473 -9.795 1031 1HG GLU 137 2HG GLU 137 -17.932 -11.021 -12.072 1032 2HG GLU 137 1HG GLU 137 -18.435 -12.644 -11.591 1033 H VAL 138 H VAL 138 -15.630 -12.373 -12.702 1034 HA VAL 138 HA VAL 138 -14.021 -9.933 -12.848 1035 HB VAL 138 HB VAL 138 -12.429 -11.753 -12.482 1036 1HG1 VAL 138 1HG1 VAL 138 -13.579 -12.980 -14.983 1037 2HG1 VAL 138 2HG1 VAL 138 -13.739 -13.608 -13.343 1038 3HG1 VAL 138 3HG1 VAL 138 -12.154 -13.552 -14.114 1039 1HG2 VAL 138 1HG2 VAL 138 -12.368 -10.737 -15.321 1040 2HG2 VAL 138 2HG2 VAL 138 -10.998 -11.408 -14.436 1041 3HG2 VAL 138 3HG2 VAL 138 -11.740 -9.900 -13.902 1042 H LEU 139 H LEU 139 -14.135 -8.860 -14.762 1043 HA LEU 139 HA LEU 139 -15.798 -10.042 -16.891 1044 1HB LEU 139 2HB LEU 139 -16.372 -7.809 -15.412 1045 2HB LEU 139 1HB LEU 139 -15.531 -7.107 -16.778 1046 HG LEU 139 HG LEU 139 -18.042 -8.781 -16.881 1047 1HD1 LEU 139 1HD1 LEU 139 -18.378 -6.506 -16.096 1048 2HD1 LEU 139 2HD1 LEU 139 -19.063 -6.728 -17.706 1049 3HD1 LEU 139 3HD1 LEU 139 -17.528 -5.883 -17.510 1050 1HD2 LEU 139 1HD2 LEU 139 -16.488 -7.534 -19.145 1051 2HD2 LEU 139 2HD2 LEU 139 -18.057 -8.328 -19.281 1052 3HD2 LEU 139 3HD2 LEU 139 -16.634 -9.261 -18.814 1053 H ALA 140 H ALA 140 -14.826 -10.211 -18.846 1054 HA ALA 140 HA ALA 140 -12.072 -9.365 -19.074 1055 1HB ALA 140 1HB ALA 140 -13.803 -10.839 -21.051 1056 2HB ALA 140 2HB ALA 140 -12.764 -11.582 -19.835 1057 3HB ALA 140 3HB ALA 140 -12.053 -10.637 -21.142 1058 H GLU 141 H GLU 141 -15.073 -8.035 -19.903 1059 HA GLU 141 HA GLU 141 -13.885 -6.374 -22.013 1060 1HB GLU 141 2HB GLU 141 -16.770 -6.920 -21.315 1061 2HB GLU 141 1HB GLU 141 -16.263 -5.722 -22.498 1062 1HG GLU 141 2HG GLU 141 -15.218 -7.476 -23.833 1063 2HG GLU 141 1HG GLU 141 -15.719 -8.678 -22.643 1064 H VAL 142 H VAL 142 -14.108 -4.135 -21.965 1065 HA VAL 142 HA VAL 142 -14.964 -2.944 -19.430 1066 HB VAL 142 HB VAL 142 -13.032 -1.316 -19.644 1067 1HG1 VAL 142 1HG1 VAL 142 -13.054 -3.057 -17.949 1068 2HG1 VAL 142 2HG1 VAL 142 -11.419 -2.835 -18.575 1069 3HG1 VAL 142 3HG1 VAL 142 -12.387 -4.213 -19.101 1070 1HG2 VAL 142 1HG2 VAL 142 -11.047 -2.086 -20.866 1071 2HG2 VAL 142 2HG2 VAL 142 -12.405 -1.788 -21.953 1072 3HG2 VAL 142 3HG2 VAL 142 -11.975 -3.440 -21.511 Start of MODEL 11 1 1H SER 1 1HT SER 1 -5.932 -17.128 -2.226 2 2H SER 1 2HT SER 1 -7.430 -17.750 -1.726 3 3H SER 1 3HT SER 1 -5.999 -18.576 -1.353 4 HA SER 1 HA SER 1 -6.984 -17.339 0.523 5 1HB SER 1 2HB SER 1 -4.215 -16.538 -0.411 6 2HB SER 1 1HB SER 1 -4.807 -16.401 1.245 7 HG SER 1 HG SER 1 -5.000 -18.638 1.335 8 HA PRO 2 HA PRO 2 -8.178 -13.244 -1.052 9 1HB PRO 2 2HB PRO 2 -10.530 -13.086 0.221 10 2HB PRO 2 1HB PRO 2 -10.332 -14.066 -1.237 11 1HG PRO 2 2HG PRO 2 -10.453 -14.916 1.620 12 2HG PRO 2 1HG PRO 2 -11.115 -15.711 0.182 13 1HD PRO 2 2HD PRO 2 -8.737 -16.397 1.451 14 2HD PRO 2 1HD PRO 2 -9.180 -16.839 -0.209 15 H GLU 3 H GLU 3 -7.210 -14.418 1.900 16 HA GLU 3 HA GLU 3 -7.908 -12.587 3.827 17 1HB GLU 3 2HB GLU 3 -5.326 -14.084 3.419 18 2HB GLU 3 1HB GLU 3 -5.598 -13.065 4.823 19 1HG GLU 3 2HG GLU 3 -6.026 -15.365 5.371 20 2HG GLU 3 1HG GLU 3 -7.527 -14.445 5.434 21 H ILE 4 H ILE 4 -4.693 -12.410 2.247 22 HA ILE 4 HA ILE 4 -4.517 -9.646 2.914 23 HB ILE 4 HB ILE 4 -2.603 -11.364 2.792 24 1HG1 ILE 4 2HG1 ILE 4 -0.977 -9.643 2.347 25 2HG1 ILE 4 1HG1 ILE 4 -2.159 -8.691 1.455 26 1HG2 ILE 4 1HG2 ILE 4 -2.737 -10.575 -0.109 27 2HG2 ILE 4 2HG2 ILE 4 -3.018 -12.184 0.555 28 3HG2 ILE 4 3HG2 ILE 4 -1.415 -11.457 0.654 29 1HD1 ILE 4 1HD1 ILE 4 -2.267 -9.322 4.396 30 2HD1 ILE 4 2HD1 ILE 4 -3.417 -8.327 3.503 31 3HD1 ILE 4 3HD1 ILE 4 -1.745 -7.795 3.686 32 H MET 5 H MET 5 -6.009 -11.268 0.431 33 HA MET 5 HA MET 5 -5.386 -9.590 -1.781 34 1HB MET 5 2HB MET 5 -6.255 -11.962 -1.873 35 2HB MET 5 1HB MET 5 -7.825 -11.328 -1.402 36 1HG MET 5 2HG MET 5 -7.951 -10.004 -3.411 37 2HG MET 5 1HG MET 5 -6.325 -10.505 -3.878 38 1HE MET 5 1HE MET 5 -8.684 -12.304 -6.473 39 2HE MET 5 2HE MET 5 -7.346 -11.174 -6.268 40 3HE MET 5 3HE MET 5 -8.964 -10.728 -5.730 41 H LYS 6 H LYS 6 -7.764 -9.567 0.778 42 HA LYS 6 HA LYS 6 -9.171 -7.294 -0.376 43 1HB LYS 6 2HB LYS 6 -10.386 -9.090 0.874 44 2HB LYS 6 1HB LYS 6 -9.533 -8.599 2.330 45 1HG LYS 6 2HG LYS 6 -11.479 -7.463 2.622 46 2HG LYS 6 1HG LYS 6 -10.565 -6.247 1.731 47 1HD LYS 6 2HD LYS 6 -12.492 -8.207 0.480 48 2HD LYS 6 1HD LYS 6 -12.896 -6.548 0.916 49 1HE LYS 6 2HE LYS 6 -11.267 -5.699 -0.657 50 2HE LYS 6 1HE LYS 6 -10.724 -7.335 -1.025 51 1HZ LYS 6 1HZ LYS 6 -13.433 -6.240 -1.580 52 2HZ LYS 6 2HZ LYS 6 -12.919 -7.821 -1.922 53 3HZ LYS 6 3HZ LYS 6 -12.213 -6.506 -2.728 54 H ASN 7 H ASN 7 -8.019 -5.450 -0.302 55 HA ASN 7 HA ASN 7 -6.227 -4.912 1.921 56 1HB ASN 7 2HB ASN 7 -6.894 -3.024 -0.341 57 2HB ASN 7 1HB ASN 7 -5.449 -3.045 0.663 58 1HD2 ASN 7 1HD2 ASN 7 -3.856 -4.614 0.264 59 2HD2 ASN 7 2HD2 ASN 7 -3.794 -5.484 -1.226 60 H LEU 8 H LEU 8 -6.718 -3.683 3.651 61 HA LEU 8 HA LEU 8 -9.375 -3.001 4.185 62 1HB LEU 8 2HB LEU 8 -6.797 -2.278 5.528 63 2HB LEU 8 1HB LEU 8 -8.313 -1.592 6.076 64 HG LEU 8 HG LEU 8 -9.121 -4.034 6.258 65 1HD1 LEU 8 1HD1 LEU 8 -6.159 -4.548 6.425 66 2HD1 LEU 8 2HD1 LEU 8 -7.149 -4.948 5.019 67 3HD1 LEU 8 3HD1 LEU 8 -7.475 -5.714 6.572 68 1HD2 LEU 8 1HD2 LEU 8 -7.029 -2.928 8.119 69 2HD2 LEU 8 2HD2 LEU 8 -8.184 -4.200 8.513 70 3HD2 LEU 8 3HD2 LEU 8 -8.756 -2.571 8.153 71 H SER 9 H SER 9 -6.646 -0.799 3.456 72 HA SER 9 HA SER 9 -8.225 1.531 3.555 73 1HB SER 9 2HB SER 9 -5.577 0.996 2.197 74 2HB SER 9 1HB SER 9 -6.311 2.596 2.323 75 HG SER 9 HG SER 9 -4.851 1.287 4.145 76 H ASN 10 H ASN 10 -7.694 -0.804 1.050 77 HA ASN 10 HA ASN 10 -8.702 0.804 -1.099 78 1HB ASN 10 2HB ASN 10 -7.170 -1.065 -1.524 79 2HB ASN 10 1HB ASN 10 -8.353 -2.195 -0.875 80 1HD2 ASN 10 1HD2 ASN 10 -7.534 -0.119 -3.541 81 2HD2 ASN 10 2HD2 ASN 10 -8.667 -0.780 -4.662 82 H ASN 11 H ASN 11 -10.034 -1.491 1.194 83 HA ASN 11 HA ASN 11 -12.632 -1.612 -0.005 84 1HB ASN 11 2HB ASN 11 -11.686 -3.379 1.513 85 2HB ASN 11 1HB ASN 11 -11.853 -2.250 2.852 86 1HD2 ASN 11 1HD2 ASN 11 -13.923 -1.741 3.620 87 2HD2 ASN 11 2HD2 ASN 11 -15.296 -2.714 3.228 88 H PHE 12 H PHE 12 -11.448 -0.142 3.019 89 HA PHE 12 HA PHE 12 -13.573 1.465 3.648 90 1HB PHE 12 2HB PHE 12 -10.625 1.872 4.028 91 2HB PHE 12 1HB PHE 12 -11.772 3.101 4.550 92 HD1 PHE 12 1HD PHE 12 -13.552 2.459 6.210 93 HD2 PHE 12 2HD PHE 12 -10.225 -0.041 5.330 94 HE1 PHE 12 1HE PHE 12 -13.920 1.234 8.312 95 HE2 PHE 12 2HE PHE 12 -10.585 -1.268 7.429 96 HZ PHE 12 HZ PHE 12 -12.437 -0.633 8.924 97 H GLY 13 H GLY 13 -10.733 2.946 1.938 98 1HA GLY 13 2HA GLY 13 -10.658 4.804 0.608 99 2HA GLY 13 1HA GLY 13 -12.128 4.163 -0.108 100 H LYS 14 H LYS 14 -11.559 5.454 3.166 101 HA LYS 14 HA LYS 14 -13.944 6.865 3.335 102 1HB LYS 14 2HB LYS 14 -11.316 7.403 4.730 103 2HB LYS 14 1HB LYS 14 -12.858 8.107 5.194 104 1HG LYS 14 2HG LYS 14 -13.735 5.908 5.717 105 2HG LYS 14 1HG LYS 14 -12.224 5.163 5.189 106 1HD LYS 14 2HD LYS 14 -11.014 6.291 6.954 107 2HD LYS 14 1HD LYS 14 -12.474 7.155 7.439 108 1HE LYS 14 2HE LYS 14 -12.119 4.161 7.517 109 2HE LYS 14 1HE LYS 14 -11.956 5.234 8.905 110 1HZ LYS 14 1HZ LYS 14 -14.124 4.302 8.942 111 2HZ LYS 14 2HZ LYS 14 -14.414 4.709 7.321 112 3HZ LYS 14 3HZ LYS 14 -14.293 5.931 8.495 113 H ALA 15 H ALA 15 -10.701 8.254 2.827 114 HA ALA 15 HA ALA 15 -11.796 10.138 0.921 115 1HB ALA 15 1HB ALA 15 -10.924 12.108 2.065 116 2HB ALA 15 2HB ALA 15 -10.412 11.107 3.423 117 3HB ALA 15 3HB ALA 15 -12.128 11.288 3.058 118 H MET 16 H MET 16 -10.495 9.252 -0.628 119 HA MET 16 HA MET 16 -7.688 8.827 -0.234 120 1HB MET 16 2HB MET 16 -9.030 7.535 -1.881 121 2HB MET 16 1HB MET 16 -9.262 9.009 -2.813 122 1HG MET 16 2HG MET 16 -6.655 9.076 -2.816 123 2HG MET 16 1HG MET 16 -6.808 7.356 -2.459 124 1HE MET 16 1HE MET 16 -9.112 9.692 -4.633 125 2HE MET 16 2HE MET 16 -8.440 9.422 -6.241 126 3HE MET 16 3HE MET 16 -7.472 10.228 -5.007 127 H ASP 17 H ASP 17 -9.750 11.346 -1.364 128 HA ASP 17 HA ASP 17 -8.036 12.923 -2.857 129 1HB ASP 17 2HB ASP 17 -10.376 13.690 -1.123 130 2HB ASP 17 1HB ASP 17 -9.574 14.804 -2.225 131 H GLN 18 H GLN 18 -8.211 12.572 0.611 132 HA GLN 18 HA GLN 18 -6.716 15.056 0.953 133 1HB GLN 18 2HB GLN 18 -8.259 13.300 2.746 134 2HB GLN 18 1HB GLN 18 -6.842 14.053 3.465 135 1HG GLN 18 2HG GLN 18 -9.026 15.570 2.026 136 2HG GLN 18 1HG GLN 18 -8.931 15.353 3.776 137 1HE2 GLN 18 1HE2 GLN 18 -7.608 16.948 0.998 138 2HE2 GLN 18 2HE2 GLN 18 -6.632 18.089 1.862 139 H CYS 19 H CYS 19 -6.141 11.600 1.003 140 HA CYS 19 HA CYS 19 -3.430 11.890 1.888 141 1HB CYS 19 2HB CYS 19 -4.698 9.613 0.345 142 2HB CYS 19 1HB CYS 19 -3.115 9.582 1.101 143 H LYS 20 H LYS 20 -5.153 11.992 -1.139 144 HA LYS 20 HA LYS 20 -3.097 11.950 -2.974 145 1HB LYS 20 2HB LYS 20 -5.277 11.933 -3.842 146 2HB LYS 20 1HB LYS 20 -5.769 13.315 -2.880 147 1HG LYS 20 2HG LYS 20 -5.660 14.034 -5.124 148 2HG LYS 20 1HG LYS 20 -4.260 14.722 -4.305 149 1HD LYS 20 2HD LYS 20 -2.847 12.964 -5.227 150 2HD LYS 20 1HD LYS 20 -4.248 12.240 -6.020 151 1HE LYS 20 2HE LYS 20 -3.055 13.526 -7.647 152 2HE LYS 20 1HE LYS 20 -4.557 14.366 -7.276 153 1HZ LYS 20 1HZ LYS 20 -3.324 15.863 -5.820 154 2HZ LYS 20 2HZ LYS 20 -2.695 15.892 -7.397 155 3HZ LYS 20 3HZ LYS 20 -1.879 15.049 -6.183 156 H ASP 21 H ASP 21 -4.498 14.711 -1.239 157 HA ASP 21 HA ASP 21 -2.684 16.602 -2.339 158 1HB ASP 21 2HB ASP 21 -4.867 17.290 -1.489 159 2HB ASP 21 1HB ASP 21 -4.407 16.792 0.138 160 H GLU 22 H GLU 22 -2.689 14.708 0.647 161 HA GLU 22 HA GLU 22 -0.678 16.265 1.898 162 1HB GLU 22 2HB GLU 22 -2.401 14.676 2.977 163 2HB GLU 22 1HB GLU 22 -1.223 13.414 2.635 164 1HG GLU 22 2HG GLU 22 0.434 14.526 3.984 165 2HG GLU 22 1HG GLU 22 -0.643 15.895 4.229 166 H LEU 23 H LEU 23 -0.526 13.291 -0.074 167 HA LEU 23 HA LEU 23 2.343 13.105 0.402 168 1HB LEU 23 2HB LEU 23 0.756 11.566 -1.636 169 2HB LEU 23 1HB LEU 23 2.319 11.153 -0.969 170 HG LEU 23 HG LEU 23 -0.360 11.000 0.383 171 1HD1 LEU 23 1HD1 LEU 23 0.222 8.649 0.629 172 2HD1 LEU 23 2HD1 LEU 23 1.784 8.941 -0.134 173 3HD1 LEU 23 3HD1 LEU 23 0.300 9.124 -1.065 174 1HD2 LEU 23 1HD2 LEU 23 1.598 12.035 1.649 175 2HD2 LEU 23 2HD2 LEU 23 2.234 10.382 1.717 176 3HD2 LEU 23 3HD2 LEU 23 0.660 10.756 2.433 177 H SER 24 H SER 24 0.398 14.961 -1.439 178 HA SER 24 HA SER 24 0.600 16.235 -3.308 179 1HB SER 24 2HB SER 24 2.707 16.903 -2.079 180 2HB SER 24 1HB SER 24 3.574 15.712 -3.046 181 HG SER 24 HG SER 24 2.324 18.111 -3.870 182 H LEU 25 H LEU 25 -0.066 13.605 -3.688 183 HA LEU 25 HA LEU 25 1.346 12.060 -5.457 184 1HB LEU 25 2HB LEU 25 -1.593 12.503 -5.251 185 2HB LEU 25 1HB LEU 25 -0.932 11.440 -6.469 186 HG LEU 25 HG LEU 25 0.090 10.057 -4.712 187 1HD1 LEU 25 1HD1 LEU 25 0.427 11.519 -2.920 188 2HD1 LEU 25 2HD1 LEU 25 -0.827 10.400 -2.387 189 3HD1 LEU 25 3HD1 LEU 25 -1.262 12.025 -2.913 190 1HD2 LEU 25 1HD2 LEU 25 -2.025 9.221 -3.707 191 2HD2 LEU 25 2HD2 LEU 25 -1.978 9.272 -5.473 192 3HD2 LEU 25 3HD2 LEU 25 -2.863 10.510 -4.573 193 HA PRO 26 HA PRO 26 1.385 14.486 -9.258 194 1HB PRO 26 2HB PRO 26 2.722 12.135 -10.379 195 2HB PRO 26 1HB PRO 26 3.337 13.779 -10.202 196 1HG PRO 26 2HG PRO 26 4.289 11.720 -8.737 197 2HG PRO 26 1HG PRO 26 4.197 13.374 -8.102 198 1HD PRO 26 2HD PRO 26 2.342 11.072 -7.643 199 2HD PRO 26 1HD PRO 26 2.981 12.225 -6.481 200 H ASP 27 H ASP 27 0.236 14.228 -11.235 201 HA ASP 27 HA ASP 27 -2.049 12.582 -10.990 202 1HB ASP 27 2HB ASP 27 -2.861 13.528 -12.934 203 2HB ASP 27 1HB ASP 27 -1.908 14.805 -12.195 204 H SER 28 H SER 28 1.010 12.126 -12.552 205 HA SER 28 HA SER 28 0.271 10.003 -14.259 206 1HB SER 28 2HB SER 28 2.745 9.434 -14.100 207 2HB SER 28 1HB SER 28 2.367 11.070 -14.639 208 HG SER 28 HG SER 28 3.953 10.453 -12.705 209 H VAL 29 H VAL 29 1.048 10.173 -10.854 210 HA VAL 29 HA VAL 29 1.356 7.338 -10.552 211 HB VAL 29 HB VAL 29 0.985 9.381 -8.374 212 1HG1 VAL 29 1HG1 VAL 29 2.355 7.620 -7.139 213 2HG1 VAL 29 2HG1 VAL 29 1.927 6.533 -8.458 214 3HG1 VAL 29 3HG1 VAL 29 0.662 7.252 -7.457 215 1HG2 VAL 29 1HG2 VAL 29 3.519 8.371 -9.658 216 2HG2 VAL 29 2HG2 VAL 29 3.431 9.418 -8.243 217 3HG2 VAL 29 3HG2 VAL 29 2.857 9.997 -9.805 218 H VAL 30 H VAL 30 -1.201 9.713 -9.738 219 HA VAL 30 HA VAL 30 -2.977 7.851 -8.598 220 HB VAL 30 HB VAL 30 -4.813 9.370 -9.118 221 1HG1 VAL 30 1HG1 VAL 30 -2.364 10.838 -8.172 222 2HG1 VAL 30 2HG1 VAL 30 -3.398 9.812 -7.182 223 3HG1 VAL 30 3HG1 VAL 30 -4.036 11.303 -7.876 224 1HG2 VAL 30 1HG2 VAL 30 -4.432 11.474 -10.302 225 2HG2 VAL 30 2HG2 VAL 30 -4.169 10.080 -11.349 226 3HG2 VAL 30 3HG2 VAL 30 -2.791 10.958 -10.689 227 H ALA 31 H ALA 31 -2.156 8.579 -11.898 228 HA ALA 31 HA ALA 31 -4.244 7.200 -13.206 229 1HB ALA 31 1HB ALA 31 -1.408 7.615 -14.113 230 2HB ALA 31 2HB ALA 31 -2.708 8.799 -14.286 231 3HB ALA 31 3HB ALA 31 -2.797 7.258 -15.143 232 H ASP 32 H ASP 32 -0.911 6.172 -12.417 233 HA ASP 32 HA ASP 32 -1.248 3.514 -13.360 234 1HB ASP 32 2HB ASP 32 0.968 4.617 -13.074 235 2HB ASP 32 1HB ASP 32 0.751 4.542 -11.330 236 H LEU 33 H LEU 33 -1.533 5.052 -10.236 237 HA LEU 33 HA LEU 33 -2.076 3.030 -8.506 238 1HB LEU 33 2HB LEU 33 -2.133 5.539 -8.125 239 2HB LEU 33 1HB LEU 33 -3.772 5.515 -8.741 240 HG LEU 33 HG LEU 33 -4.403 3.986 -6.878 241 1HD1 LEU 33 1HD1 LEU 33 -1.549 4.529 -6.084 242 2HD1 LEU 33 2HD1 LEU 33 -2.313 2.960 -6.364 243 3HD1 LEU 33 3HD1 LEU 33 -2.769 3.925 -4.958 244 1HD2 LEU 33 1HD2 LEU 33 -3.167 6.627 -6.103 245 2HD2 LEU 33 2HD2 LEU 33 -4.333 5.720 -5.137 246 3HD2 LEU 33 3HD2 LEU 33 -4.807 6.375 -6.706 247 H TYR 34 H TYR 34 -4.560 4.638 -10.519 248 HA TYR 34 HA TYR 34 -6.584 2.786 -9.900 249 1HB TYR 34 2HB TYR 34 -6.296 4.802 -12.095 250 2HB TYR 34 1HB TYR 34 -7.720 3.767 -11.965 251 HD1 TYR 34 1HD TYR 34 -8.248 3.597 -9.161 252 HD2 TYR 34 2HD TYR 34 -6.890 6.945 -11.407 253 HE1 TYR 34 1HE TYR 34 -9.215 5.106 -7.483 254 HE2 TYR 34 2HE TYR 34 -7.854 8.466 -9.730 255 HH TYR 34 HH TYR 34 -8.776 7.464 -6.692 256 H ASN 35 H ASN 35 -3.965 1.604 -11.449 257 HA ASN 35 HA ASN 35 -5.099 0.436 -13.771 258 1HB ASN 35 2HB ASN 35 -2.669 0.599 -13.489 259 2HB ASN 35 1HB ASN 35 -2.747 -0.468 -12.089 260 1HD2 ASN 35 1HD2 ASN 35 -1.328 -1.914 -13.090 261 2HD2 ASN 35 2HD2 ASN 35 -1.841 -2.962 -14.367 262 H PHE 36 H PHE 36 -6.663 -1.010 -13.817 263 HA PHE 36 HA PHE 36 -7.519 -2.327 -11.412 264 1HB PHE 36 2HB PHE 36 -8.540 -2.495 -14.254 265 2HB PHE 36 1HB PHE 36 -9.306 -3.278 -12.876 266 HD1 PHE 36 1HD PHE 36 -8.998 -0.270 -14.781 267 HD2 PHE 36 2HD PHE 36 -10.152 -1.822 -10.993 268 HE1 PHE 36 1HE PHE 36 -10.280 1.781 -14.337 269 HE2 PHE 36 2HE PHE 36 -11.434 0.229 -10.539 270 HZ PHE 36 HZ PHE 36 -11.502 2.033 -12.212 271 H TRP 37 H TRP 37 -5.631 -3.184 -14.190 272 HA TRP 37 HA TRP 37 -6.052 -6.027 -13.863 273 1HB TRP 37 2HB TRP 37 -3.880 -4.892 -15.586 274 2HB TRP 37 1HB TRP 37 -4.908 -6.294 -15.865 275 HD1 TRP 37 HD TRP 37 -4.352 -3.166 -17.391 276 HE1 TRP 37 1HE TRP 37 -6.444 -2.184 -18.528 277 HE3 TRP 37 3HE TRP 37 -7.925 -6.055 -15.140 278 HZ2 TRP 37 2HZ TRP 37 -9.236 -2.588 -18.474 279 HZ3 TRP 37 3HZ TRP 37 -10.281 -5.689 -15.740 280 HH2 TRP 37 HH TRP 37 -10.922 -3.991 -17.372 281 H LYS 38 H LYS 38 -5.206 -6.769 -11.997 282 HA LYS 38 HA LYS 38 -2.637 -5.733 -11.092 283 1HB LYS 38 2HB LYS 38 -4.485 -7.667 -9.689 284 2HB LYS 38 1HB LYS 38 -3.145 -6.778 -8.977 285 1HG LYS 38 2HG LYS 38 -4.309 -4.680 -9.340 286 2HG LYS 38 1HG LYS 38 -5.635 -5.536 -10.127 287 1HD LYS 38 2HD LYS 38 -5.965 -6.799 -7.987 288 2HD LYS 38 1HD LYS 38 -4.794 -5.709 -7.239 289 1HE LYS 38 2HE LYS 38 -7.044 -4.930 -6.797 290 2HE LYS 38 1HE LYS 38 -6.215 -3.794 -7.864 291 1HZ LYS 38 1HZ LYS 38 -8.180 -5.866 -8.696 292 2HZ LYS 38 2HZ LYS 38 -7.356 -4.831 -9.752 293 3HZ LYS 38 3HZ LYS 38 -8.461 -4.193 -8.635 294 H ASP 39 H ASP 39 -1.781 -6.903 -13.107 295 HA ASP 39 HA ASP 39 -1.453 -9.694 -13.096 296 1HB ASP 39 2HB ASP 39 0.359 -9.342 -14.687 297 2HB ASP 39 1HB ASP 39 -1.018 -8.316 -15.062 298 H ASP 40 H ASP 40 -0.605 -8.294 -10.403 299 HA ASP 40 HA ASP 40 1.080 -8.236 -8.906 300 1HB ASP 40 2HB ASP 40 0.772 -10.664 -8.990 301 2HB ASP 40 1HB ASP 40 1.897 -10.776 -10.339 302 H TYR 41 H TYR 41 1.747 -6.308 -10.096 303 HA TYR 41 HA TYR 41 4.197 -6.643 -11.661 304 1HB TYR 41 2HB TYR 41 3.744 -4.203 -12.266 305 2HB TYR 41 1HB TYR 41 2.625 -5.400 -12.905 306 HD1 TYR 41 1HD TYR 41 0.321 -5.411 -12.258 307 HD2 TYR 41 2HD TYR 41 3.048 -2.718 -10.416 308 HE1 TYR 41 1HE TYR 41 -1.567 -4.170 -11.294 309 HE2 TYR 41 2HE TYR 41 1.166 -1.467 -9.448 310 HH TYR 41 HH TYR 41 -1.239 -1.107 -9.903 311 H VAL 42 H VAL 42 5.767 -4.708 -11.377 312 HA VAL 42 HA VAL 42 6.321 -4.560 -8.515 313 HB VAL 42 HB VAL 42 8.074 -3.448 -10.702 314 1HG1 VAL 42 1HG1 VAL 42 8.460 -2.817 -8.302 315 2HG1 VAL 42 2HG1 VAL 42 9.825 -3.604 -9.093 316 3HG1 VAL 42 3HG1 VAL 42 8.804 -4.515 -7.981 317 1HG2 VAL 42 1HG2 VAL 42 7.736 -5.742 -11.303 318 2HG2 VAL 42 2HG2 VAL 42 7.986 -6.267 -9.638 319 3HG2 VAL 42 3HG2 VAL 42 9.330 -5.601 -10.563 320 H MET 43 H MET 43 5.497 -2.949 -7.428 321 HA MET 43 HA MET 43 4.640 -0.500 -8.662 322 1HB MET 43 2HB MET 43 3.431 -1.661 -6.801 323 2HB MET 43 1HB MET 43 4.768 -1.261 -5.737 324 1HG MET 43 2HG MET 43 4.284 1.030 -5.814 325 2HG MET 43 1HG MET 43 3.202 0.838 -7.195 326 1HE MET 43 1HE MET 43 0.120 -0.952 -5.620 327 2HE MET 43 2HE MET 43 1.493 -1.700 -6.437 328 3HE MET 43 3HE MET 43 0.797 -0.207 -7.067 329 H THR 44 H THR 44 6.354 0.712 -9.358 330 HA THR 44 HA THR 44 8.738 0.847 -7.686 331 HB THR 44 HB THR 44 9.597 2.142 -9.787 332 HG1 THR 44 1HG THR 44 7.619 0.586 -11.077 333 1HG2 THR 44 1HG2 THR 44 8.982 -0.800 -10.030 334 2HG2 THR 44 2HG2 THR 44 10.271 -0.144 -9.022 335 3HG2 THR 44 3HG2 THR 44 10.318 0.080 -10.770 336 H ASP 45 H ASP 45 6.039 2.823 -8.472 337 HA ASP 45 HA ASP 45 7.421 5.292 -7.815 338 1HB ASP 45 2HB ASP 45 5.503 5.127 -9.506 339 2HB ASP 45 1HB ASP 45 4.443 4.999 -8.108 340 H ARG 46 H ARG 46 7.367 6.372 -6.052 341 HA ARG 46 HA ARG 46 7.036 4.859 -3.659 342 1HB ARG 46 2HB ARG 46 7.669 7.781 -4.100 343 2HB ARG 46 1HB ARG 46 7.670 7.003 -2.546 344 1HG ARG 46 2HG ARG 46 9.915 7.236 -3.284 345 2HG ARG 46 1HG ARG 46 9.505 5.522 -3.322 346 1HD ARG 46 2HD ARG 46 9.188 5.621 -5.709 347 2HD ARG 46 1HD ARG 46 9.445 7.365 -5.709 348 HE ARG 46 HE ARG 46 11.696 6.243 -4.560 349 1HH1 ARG 46 1HH1 ARG 46 10.079 6.202 -7.658 350 2HH1 ARG 46 2HH1 ARG 46 11.535 5.900 -8.556 351 1HH2 ARG 46 1HH2 ARG 46 13.597 5.794 -5.701 352 2HH2 ARG 46 2HH2 ARG 46 13.552 5.654 -7.441 353 H LEU 47 H LEU 47 5.200 7.227 -5.384 354 HA LEU 47 HA LEU 47 3.506 7.961 -3.202 355 1HB LEU 47 2HB LEU 47 3.553 8.563 -6.139 356 2HB LEU 47 1HB LEU 47 2.110 8.908 -5.204 357 HG LEU 47 HG LEU 47 3.470 10.885 -5.401 358 1HD1 LEU 47 1HD1 LEU 47 2.217 10.252 -3.278 359 2HD1 LEU 47 2HD1 LEU 47 3.438 11.527 -3.153 360 3HD1 LEU 47 3HD1 LEU 47 3.809 9.895 -2.593 361 1HD2 LEU 47 1HD2 LEU 47 5.631 9.922 -5.781 362 2HD2 LEU 47 2HD2 LEU 47 5.657 9.244 -4.149 363 3HD2 LEU 47 3HD2 LEU 47 5.710 10.993 -4.379 364 H ALA 48 H ALA 48 3.629 5.271 -5.255 365 HA ALA 48 HA ALA 48 0.758 4.839 -5.247 366 1HB ALA 48 1HB ALA 48 2.118 4.219 -7.198 367 2HB ALA 48 2HB ALA 48 1.246 2.843 -6.523 368 3HB ALA 48 3HB ALA 48 2.973 3.035 -6.212 369 H GLY 49 H GLY 49 3.573 2.890 -4.257 370 1HA GLY 49 2HA GLY 49 2.702 1.332 -2.278 371 2HA GLY 49 1HA GLY 49 4.167 2.274 -2.089 372 H CYS 50 H CYS 50 3.105 4.884 -1.698 373 HA CYS 50 HA CYS 50 2.241 4.620 1.010 374 1HB CYS 50 2HB CYS 50 2.955 6.888 -0.790 375 2HB CYS 50 1HB CYS 50 2.001 7.248 0.638 376 H ALA 51 H ALA 51 0.658 5.745 -1.979 377 HA ALA 51 HA ALA 51 -1.670 6.686 -0.667 378 1HB ALA 51 1HB ALA 51 -1.342 5.924 -3.561 379 2HB ALA 51 2HB ALA 51 -0.962 7.499 -2.864 380 3HB ALA 51 3HB ALA 51 -2.627 6.917 -2.876 381 H ILE 52 H ILE 52 -0.726 3.520 -1.729 382 HA ILE 52 HA ILE 52 -3.362 2.481 -2.033 383 HB ILE 52 HB ILE 52 -1.324 1.460 -3.076 384 1HG1 ILE 52 2HG1 ILE 52 -2.965 -0.407 -1.345 385 2HG1 ILE 52 1HG1 ILE 52 -3.475 0.247 -2.898 386 1HG2 ILE 52 1HG2 ILE 52 -0.828 0.450 -0.278 387 2HG2 ILE 52 2HG2 ILE 52 0.187 1.576 -1.180 388 3HG2 ILE 52 3HG2 ILE 52 0.020 -0.093 -1.726 389 1HD1 ILE 52 1HD1 ILE 52 -2.684 -2.043 -3.101 390 2HD1 ILE 52 2HD1 ILE 52 -1.119 -1.569 -2.442 391 3HD1 ILE 52 3HD1 ILE 52 -1.649 -0.932 -3.998 392 H ASN 53 H ASN 53 -1.397 3.161 0.704 393 HA ASN 53 HA ASN 53 -3.479 2.039 2.412 394 1HB ASN 53 2HB ASN 53 -1.654 0.312 2.221 395 2HB ASN 53 1HB ASN 53 -0.562 1.473 2.973 396 1HD2 ASN 53 1HD2 ASN 53 -0.203 0.261 4.789 397 2HD2 ASN 53 2HD2 ASN 53 -1.408 -0.006 5.996 398 H CYS 54 H CYS 54 -4.042 4.205 2.751 399 HA CYS 54 HA CYS 54 -2.106 5.730 4.359 400 1HB CYS 54 2HB CYS 54 -2.341 6.845 2.258 401 2HB CYS 54 1HB CYS 54 -4.095 6.710 2.311 402 H LEU 55 H LEU 55 -5.550 5.090 3.799 403 HA LEU 55 HA LEU 55 -6.579 6.746 5.789 404 1HB LEU 55 2HB LEU 55 -7.681 4.201 4.607 405 2HB LEU 55 1HB LEU 55 -8.578 5.196 5.734 406 HG LEU 55 HG LEU 55 -9.382 5.749 3.590 407 1HD1 LEU 55 1HD1 LEU 55 -7.386 7.862 4.372 408 2HD1 LEU 55 2HD1 LEU 55 -9.017 7.678 5.016 409 3HD1 LEU 55 3HD1 LEU 55 -8.781 8.096 3.319 410 1HD2 LEU 55 1HD2 LEU 55 -7.612 4.772 2.243 411 2HD2 LEU 55 2HD2 LEU 55 -6.522 6.084 2.695 412 3HD2 LEU 55 3HD2 LEU 55 -7.953 6.422 1.720 413 H ALA 56 H ALA 56 -5.729 3.296 5.956 414 HA ALA 56 HA ALA 56 -6.581 3.163 8.710 415 1HB ALA 56 1HB ALA 56 -5.196 1.099 7.003 416 2HB ALA 56 2HB ALA 56 -6.940 1.271 7.205 417 3HB ALA 56 3HB ALA 56 -5.934 0.816 8.580 418 H THR 57 H THR 57 -3.712 3.931 7.042 419 HA THR 57 HA THR 57 -1.956 3.221 9.215 420 HB THR 57 HB THR 57 -1.043 5.102 7.094 421 HG1 THR 57 1HG THR 57 -1.104 3.561 5.523 422 1HG2 THR 57 1HG2 THR 57 0.263 3.914 9.027 423 2HG2 THR 57 2HG2 THR 57 0.993 4.067 7.425 424 3HG2 THR 57 3HG2 THR 57 0.254 2.541 7.918 425 H LYS 58 H LYS 58 -3.542 6.125 7.957 426 HA LYS 58 HA LYS 58 -2.314 7.774 9.981 427 1HB LYS 58 2HB LYS 58 -4.519 8.343 8.006 428 2HB LYS 58 1HB LYS 58 -3.876 9.530 9.135 429 1HG LYS 58 2HG LYS 58 -1.604 9.050 8.112 430 2HG LYS 58 1HG LYS 58 -2.479 8.205 6.833 431 1HD LYS 58 2HD LYS 58 -2.016 10.503 6.179 432 2HD LYS 58 1HD LYS 58 -3.754 10.259 6.377 433 1HE LYS 58 2HE LYS 58 -3.632 11.246 8.616 434 2HE LYS 58 1HE LYS 58 -1.899 11.496 8.409 435 1HZ LYS 58 1HZ LYS 58 -2.326 13.011 6.620 436 2HZ LYS 58 2HZ LYS 58 -3.220 13.499 7.980 437 3HZ LYS 58 3HZ LYS 58 -3.991 12.709 6.697 438 H LEU 59 H LEU 59 -4.988 5.667 9.862 439 HA LEU 59 HA LEU 59 -6.643 6.832 11.784 440 1HB LEU 59 2HB LEU 59 -7.470 5.067 10.457 441 2HB LEU 59 1HB LEU 59 -6.152 4.004 10.913 442 HG LEU 59 HG LEU 59 -7.020 3.855 13.162 443 1HD1 LEU 59 1HD1 LEU 59 -8.051 6.059 13.348 444 2HD1 LEU 59 2HD1 LEU 59 -9.217 4.793 13.735 445 3HD1 LEU 59 3HD1 LEU 59 -9.275 5.596 12.166 446 1HD2 LEU 59 1HD2 LEU 59 -9.025 3.302 11.000 447 2HD2 LEU 59 2HD2 LEU 59 -9.110 2.628 12.629 448 3HD2 LEU 59 3HD2 LEU 59 -7.760 2.214 11.569 449 H ASP 60 H ASP 60 -4.296 4.145 12.238 450 HA ASP 60 HA ASP 60 -3.183 5.155 14.621 451 1HB ASP 60 2HB ASP 60 -5.483 4.715 15.482 452 2HB ASP 60 1HB ASP 60 -5.285 3.016 15.060 453 H VAL 61 H VAL 61 -1.204 4.284 14.406 454 HA VAL 61 HA VAL 61 -0.704 1.511 14.380 455 HB VAL 61 HB VAL 61 -1.727 1.806 12.094 456 1HG1 VAL 61 1HG1 VAL 61 -0.834 3.982 11.559 457 2HG1 VAL 61 2HG1 VAL 61 -0.364 2.804 10.333 458 3HG1 VAL 61 3HG1 VAL 61 0.806 3.331 11.544 459 1HG2 VAL 61 1HG2 VAL 61 1.124 0.915 11.852 460 2HG2 VAL 61 2HG2 VAL 61 -0.299 0.298 11.012 461 3HG2 VAL 61 3HG2 VAL 61 -0.084 -0.023 12.732 462 H VAL 62 H VAL 62 0.329 3.976 15.618 463 HA VAL 62 HA VAL 62 3.071 3.938 14.537 464 HB VAL 62 HB VAL 62 3.467 6.124 15.534 465 1HG1 VAL 62 1HG1 VAL 62 2.005 7.456 14.092 466 2HG1 VAL 62 2HG1 VAL 62 0.977 6.045 13.847 467 3HG1 VAL 62 3HG1 VAL 62 2.640 6.035 13.263 468 1HG2 VAL 62 1HG2 VAL 62 2.015 6.041 17.465 469 2HG2 VAL 62 2HG2 VAL 62 0.588 6.014 16.427 470 3HG2 VAL 62 3HG2 VAL 62 1.614 7.448 16.480 471 H ASP 63 H ASP 63 4.476 2.777 15.634 472 HA ASP 63 HA ASP 63 4.072 1.810 18.231 473 1HB ASP 63 2HB ASP 63 6.039 1.525 16.147 474 2HB ASP 63 1HB ASP 63 6.839 1.689 17.707 475 HA PRO 64 HA PRO 64 7.033 4.962 20.000 476 1HB PRO 64 2HB PRO 64 8.889 6.121 18.323 477 2HB PRO 64 1HB PRO 64 9.026 4.484 18.972 478 1HG PRO 64 2HG PRO 64 8.682 5.229 16.246 479 2HG PRO 64 1HG PRO 64 8.658 3.589 16.919 480 1HD PRO 64 2HD PRO 64 6.373 5.436 16.343 481 2HD PRO 64 1HD PRO 64 6.473 3.678 16.139 482 H ASP 65 H ASP 65 8.373 7.388 18.847 483 HA ASP 65 HA ASP 65 6.337 9.274 19.487 484 1HB ASP 65 2HB ASP 65 9.219 9.352 18.791 485 2HB ASP 65 1HB ASP 65 8.308 10.832 18.523 486 H GLY 66 H GLY 66 6.720 7.605 16.721 487 1HA GLY 66 2HA GLY 66 4.985 8.690 15.054 488 2HA GLY 66 1HA GLY 66 6.299 9.837 14.888 489 H ASN 67 H ASN 67 8.392 8.973 14.295 490 HA ASN 67 HA ASN 67 8.203 7.389 11.948 491 1HB ASN 67 2HB ASN 67 10.757 7.589 12.037 492 2HB ASN 67 1HB ASN 67 9.841 9.089 11.931 493 1HD2 ASN 67 1HD2 ASN 67 11.734 7.036 14.033 494 2HD2 ASN 67 2HD2 ASN 67 12.022 8.231 15.252 495 H LEU 68 H LEU 68 9.160 5.402 11.482 496 HA LEU 68 HA LEU 68 9.991 3.316 11.771 497 1HB LEU 68 2HB LEU 68 10.957 4.568 14.303 498 2HB LEU 68 1HB LEU 68 11.062 2.830 14.124 499 HG LEU 68 HG LEU 68 13.177 3.916 13.572 500 1HD1 LEU 68 1HD1 LEU 68 11.977 2.870 11.022 501 2HD1 LEU 68 2HD1 LEU 68 12.401 1.835 12.384 502 3HD1 LEU 68 3HD1 LEU 68 13.651 2.772 11.565 503 1HD2 LEU 68 1HD2 LEU 68 11.647 5.293 11.371 504 2HD2 LEU 68 2HD2 LEU 68 13.395 5.338 11.598 505 3HD2 LEU 68 3HD2 LEU 68 12.330 6.065 12.802 506 H HIS 69 H HIS 69 7.241 4.127 12.656 507 HA HIS 69 HA HIS 69 6.478 2.167 14.570 508 1HB HIS 69 2HB HIS 69 4.164 2.618 13.745 509 2HB HIS 69 1HB HIS 69 5.037 4.063 14.235 510 HD1 HIS 69 1HD HIS 69 2.814 3.000 11.737 511 HD2 HIS 69 2HD HIS 69 6.287 5.284 11.689 512 HE1 HIS 69 1HE HIS 69 2.727 4.321 9.596 513 HE2 HIS 69 2HE HIS 69 4.770 5.804 9.661 514 H HIS 70 H HIS 70 7.869 0.471 13.454 515 HA HIS 70 HA HIS 70 6.653 -0.701 11.092 516 1HB HIS 70 2HB HIS 70 8.558 -2.107 10.918 517 2HB HIS 70 1HB HIS 70 9.148 -0.517 11.373 518 HD1 HIS 70 1HD HIS 70 9.783 -3.886 12.038 519 HD2 HIS 70 2HD HIS 70 9.508 -0.505 14.444 520 HE1 HIS 70 1HE HIS 70 10.972 -4.474 14.168 521 HE2 HIS 70 2HE HIS 70 10.568 -2.515 15.695 522 H GLY 71 H GLY 71 6.735 -1.279 14.525 523 1HA GLY 71 2HA GLY 71 6.113 -4.049 14.471 524 2HA GLY 71 1HA GLY 71 5.944 -2.975 15.851 525 H ASN 72 H ASN 72 4.102 -1.350 15.573 526 HA ASN 72 HA ASN 72 1.640 -2.621 15.504 527 1HB ASN 72 2HB ASN 72 2.545 0.206 15.423 528 2HB ASN 72 1HB ASN 72 0.888 -0.099 14.918 529 1HD2 ASN 72 1HD2 ASN 72 3.144 -0.130 17.575 530 2HD2 ASN 72 2HD2 ASN 72 1.955 -0.332 18.825 531 H ALA 73 H ALA 73 3.481 -1.409 12.791 532 HA ALA 73 HA ALA 73 1.284 -1.238 10.991 533 1HB ALA 73 1HB ALA 73 3.400 -0.090 10.557 534 2HB ALA 73 2HB ALA 73 2.970 -1.165 9.226 535 3HB ALA 73 3HB ALA 73 4.212 -1.645 10.384 536 H LYS 74 H LYS 74 3.586 -3.759 11.860 537 HA LYS 74 HA LYS 74 2.444 -5.645 10.004 538 1HB LYS 74 2HB LYS 74 4.392 -6.108 12.258 539 2HB LYS 74 1HB LYS 74 3.984 -7.260 10.990 540 1HG LYS 74 2HG LYS 74 5.499 -4.682 10.752 541 2HG LYS 74 1HG LYS 74 6.006 -6.313 10.327 542 1HD LYS 74 2HD LYS 74 4.590 -6.377 8.436 543 2HD LYS 74 1HD LYS 74 3.732 -4.923 8.946 544 1HE LYS 74 2HE LYS 74 5.875 -3.664 8.672 545 2HE LYS 74 1HE LYS 74 6.579 -5.123 7.974 546 1HZ LYS 74 1HZ LYS 74 4.963 -5.041 6.203 547 2HZ LYS 74 2HZ LYS 74 5.760 -3.554 6.289 548 3HZ LYS 74 3HZ LYS 74 4.190 -3.709 6.903 549 H ASP 75 H ASP 75 2.300 -4.948 13.431 550 HA ASP 75 HA ASP 75 0.637 -7.040 14.268 551 1HB ASP 75 2HB ASP 75 1.720 -5.636 15.891 552 2HB ASP 75 1HB ASP 75 0.936 -4.196 15.253 553 H PHE 76 H PHE 76 -0.120 -3.866 12.900 554 HA PHE 76 HA PHE 76 -2.912 -4.021 12.980 555 1HB PHE 76 2HB PHE 76 -1.993 -1.914 12.455 556 2HB PHE 76 1HB PHE 76 -0.982 -2.577 11.177 557 HD1 PHE 76 1HD PHE 76 -4.550 -2.062 12.077 558 HD2 PHE 76 2HD PHE 76 -1.657 -2.398 8.983 559 HE1 PHE 76 1HE PHE 76 -6.264 -1.462 10.417 560 HE2 PHE 76 2HE PHE 76 -3.361 -1.798 7.313 561 HZ PHE 76 HZ PHE 76 -5.670 -1.332 8.032 562 H ALA 77 H ALA 77 -0.585 -5.142 10.570 563 HA ALA 77 HA ALA 77 -2.532 -5.964 8.680 564 1HB ALA 77 1HB ALA 77 -0.539 -7.395 7.856 565 2HB ALA 77 2HB ALA 77 0.380 -6.518 9.076 566 3HB ALA 77 3HB ALA 77 -0.425 -5.638 7.775 567 H MET 78 H MET 78 -1.081 -7.519 11.450 568 HA MET 78 HA MET 78 -1.862 -10.176 10.752 569 1HB MET 78 2HB MET 78 -1.022 -8.977 13.394 570 2HB MET 78 1HB MET 78 -1.330 -10.689 13.155 571 1HG MET 78 2HG MET 78 0.477 -10.800 11.535 572 2HG MET 78 1HG MET 78 0.769 -9.072 11.733 573 1HE MET 78 1HE MET 78 0.782 -12.571 13.541 574 2HE MET 78 2HE MET 78 -0.217 -11.571 14.598 575 3HE MET 78 3HE MET 78 1.365 -12.124 15.146 576 H LYS 79 H LYS 79 -3.313 -7.692 12.860 577 HA LYS 79 HA LYS 79 -5.479 -9.571 13.387 578 1HB LYS 79 2HB LYS 79 -6.311 -7.816 14.964 579 2HB LYS 79 1HB LYS 79 -4.733 -8.482 15.350 580 1HG LYS 79 2HG LYS 79 -3.780 -6.441 14.151 581 2HG LYS 79 1HG LYS 79 -5.411 -5.774 14.269 582 1HD LYS 79 2HD LYS 79 -4.097 -5.016 16.152 583 2HD LYS 79 1HD LYS 79 -5.336 -6.140 16.719 584 1HE LYS 79 2HE LYS 79 -3.718 -7.933 16.818 585 2HE LYS 79 1HE LYS 79 -2.475 -6.891 16.134 586 1HZ LYS 79 1HZ LYS 79 -2.035 -6.843 18.380 587 2HZ LYS 79 2HZ LYS 79 -3.666 -6.822 18.828 588 3HZ LYS 79 3HZ LYS 79 -2.947 -5.430 18.178 589 H HIS 80 H HIS 80 -4.758 -7.221 11.122 590 HA HIS 80 HA HIS 80 -7.568 -7.241 10.289 591 1HB HIS 80 2HB HIS 80 -5.901 -4.739 10.033 592 2HB HIS 80 1HB HIS 80 -7.631 -4.920 9.777 593 HD1 HIS 80 1HD HIS 80 -9.092 -5.254 12.003 594 HD2 HIS 80 2HD HIS 80 -5.148 -4.051 12.545 595 HE1 HIS 80 1HE HIS 80 -8.962 -4.383 14.364 596 HE2 HIS 80 2HE HIS 80 -6.596 -3.535 14.616 597 H GLY 81 H GLY 81 -6.947 -8.813 8.726 598 1HA GLY 81 2HA GLY 81 -6.927 -8.364 6.225 599 2HA GLY 81 1HA GLY 81 -5.332 -7.689 6.521 600 H ALA 82 H ALA 82 -3.746 -9.181 7.537 601 HA ALA 82 HA ALA 82 -3.923 -11.757 6.152 602 1HB ALA 82 1HB ALA 82 -1.475 -10.602 7.465 603 2HB ALA 82 2HB ALA 82 -1.964 -10.167 5.825 604 3HB ALA 82 3HB ALA 82 -1.567 -11.842 6.210 605 H ASP 83 H ASP 83 -3.514 -13.722 7.259 606 HA ASP 83 HA ASP 83 -3.940 -13.617 10.128 607 1HB ASP 83 2HB ASP 83 -4.434 -15.818 10.095 608 2HB ASP 83 1HB ASP 83 -4.816 -15.422 8.431 609 H GLU 84 H GLU 84 -2.442 -15.217 11.393 610 HA GLU 84 HA GLU 84 -0.173 -13.650 11.427 611 1HB GLU 84 2HB GLU 84 0.382 -14.835 13.442 612 2HB GLU 84 1HB GLU 84 -1.353 -14.616 13.385 613 1HG GLU 84 2HG GLU 84 -1.325 -16.753 14.035 614 2HG GLU 84 1HG GLU 84 -1.281 -17.003 12.294 615 H THR 85 H THR 85 -0.892 -16.887 10.391 616 HA THR 85 HA THR 85 1.749 -17.772 10.045 617 HB THR 85 HB THR 85 -0.522 -19.066 9.992 618 HG1 THR 85 1HG THR 85 1.979 -19.606 8.887 619 1HG2 THR 85 1HG2 THR 85 -1.493 -18.155 8.016 620 2HG2 THR 85 2HG2 THR 85 -1.045 -19.829 7.666 621 3HG2 THR 85 3HG2 THR 85 -0.045 -18.504 7.067 622 H MET 86 H MET 86 -0.333 -15.741 8.031 623 HA MET 86 HA MET 86 1.375 -16.026 5.718 624 1HB MET 86 2HB MET 86 -0.855 -15.858 5.086 625 2HB MET 86 1HB MET 86 -1.233 -14.697 6.349 626 1HG MET 86 2HG MET 86 -1.348 -13.615 4.230 627 2HG MET 86 1HG MET 86 0.038 -13.010 5.134 628 1HE MET 86 1HE MET 86 -0.360 -12.514 2.017 629 2HE MET 86 2HE MET 86 1.269 -12.823 1.414 630 3HE MET 86 3HE MET 86 1.042 -11.925 2.915 631 H ALA 87 H ALA 87 0.472 -13.649 8.139 632 HA ALA 87 HA ALA 87 2.128 -11.536 7.380 633 1HB ALA 87 1HB ALA 87 1.115 -12.502 10.032 634 2HB ALA 87 2HB ALA 87 0.572 -11.116 9.085 635 3HB ALA 87 3HB ALA 87 2.137 -11.070 9.899 636 H GLN 88 H GLN 88 2.749 -14.477 9.187 637 HA GLN 88 HA GLN 88 5.409 -13.832 9.964 638 1HB GLN 88 2HB GLN 88 3.601 -16.132 10.195 639 2HB GLN 88 1HB GLN 88 5.304 -16.548 10.128 640 1HG GLN 88 2HG GLN 88 4.326 -16.241 12.424 641 2HG GLN 88 1HG GLN 88 5.786 -15.322 12.077 642 1HE2 GLN 88 1HE2 GLN 88 2.347 -15.139 12.741 643 2HE2 GLN 88 2HE2 GLN 88 2.317 -13.417 12.949 644 H GLN 89 H GLN 89 3.988 -15.277 7.106 645 HA GLN 89 HA GLN 89 6.518 -16.170 6.056 646 1HB GLN 89 2HB GLN 89 4.122 -15.478 4.335 647 2HB GLN 89 1HB GLN 89 5.419 -16.601 3.992 648 1HG GLN 89 2HG GLN 89 3.366 -17.016 6.142 649 2HG GLN 89 1HG GLN 89 3.227 -17.630 4.504 650 1HE2 GLN 89 1HE2 GLN 89 3.106 -19.710 5.294 651 2HE2 GLN 89 2HE2 GLN 89 4.518 -20.566 5.837 652 H LEU 90 H LEU 90 4.818 -13.177 6.261 653 HA LEU 90 HA LEU 90 6.227 -11.959 4.042 654 1HB LEU 90 2HB LEU 90 3.868 -11.426 4.439 655 2HB LEU 90 1HB LEU 90 4.266 -10.818 6.032 656 HG LEU 90 HG LEU 90 5.726 -9.090 4.826 657 1HD1 LEU 90 1HD1 LEU 90 3.926 -9.670 2.494 658 2HD1 LEU 90 2HD1 LEU 90 5.541 -10.374 2.623 659 3HD1 LEU 90 3HD1 LEU 90 5.345 -8.622 2.570 660 1HD2 LEU 90 1HD2 LEU 90 2.727 -9.023 4.520 661 2HD2 LEU 90 2HD2 LEU 90 3.800 -7.625 4.462 662 3HD2 LEU 90 3HD2 LEU 90 3.641 -8.552 5.954 663 H VAL 91 H VAL 91 6.097 -11.679 7.564 664 HA VAL 91 HA VAL 91 7.700 -9.430 7.915 665 HB VAL 91 HB VAL 91 8.108 -10.307 10.206 666 1HG1 VAL 91 1HG1 VAL 91 5.691 -10.418 10.872 667 2HG1 VAL 91 2HG1 VAL 91 5.294 -10.393 9.153 668 3HG1 VAL 91 3HG1 VAL 91 6.130 -9.023 9.882 669 1HG2 VAL 91 1HG2 VAL 91 6.948 -12.744 9.000 670 2HG2 VAL 91 2HG2 VAL 91 6.675 -12.416 10.709 671 3HG2 VAL 91 3HG2 VAL 91 8.322 -12.581 10.091 672 H ASP 92 H ASP 92 8.616 -12.765 7.419 673 HA ASP 92 HA ASP 92 11.301 -12.538 8.269 674 1HB ASP 92 2HB ASP 92 10.369 -14.712 8.234 675 2HB ASP 92 1HB ASP 92 9.834 -14.554 6.567 676 H ILE 93 H ILE 93 9.746 -12.399 5.078 677 HA ILE 93 HA ILE 93 12.103 -11.857 3.626 678 HB ILE 93 HB ILE 93 9.189 -11.578 3.078 679 1HG1 ILE 93 2HG1 ILE 93 9.749 -12.861 1.089 680 2HG1 ILE 93 1HG1 ILE 93 11.463 -12.680 1.437 681 1HG2 ILE 93 1HG2 ILE 93 10.170 -9.404 2.359 682 2HG2 ILE 93 2HG2 ILE 93 9.476 -10.356 1.049 683 3HG2 ILE 93 3HG2 ILE 93 11.224 -10.304 1.268 684 1HD1 ILE 93 1HD1 ILE 93 9.461 -14.194 3.103 685 2HD1 ILE 93 2HD1 ILE 93 11.178 -14.020 3.465 686 3HD1 ILE 93 3HD1 ILE 93 10.666 -14.898 2.026 687 H ILE 94 H ILE 94 9.742 -9.825 5.276 688 HA ILE 94 HA ILE 94 10.512 -7.354 4.274 689 HB ILE 94 HB ILE 94 9.377 -8.085 6.950 690 1HG1 ILE 94 2HG1 ILE 94 8.151 -6.703 4.560 691 2HG1 ILE 94 1HG1 ILE 94 8.039 -8.436 4.864 692 1HG2 ILE 94 1HG2 ILE 94 9.798 -5.323 5.806 693 2HG2 ILE 94 2HG2 ILE 94 10.615 -6.002 7.214 694 3HG2 ILE 94 3HG2 ILE 94 8.877 -5.703 7.261 695 1HD1 ILE 94 1HD1 ILE 94 6.985 -7.894 7.032 696 2HD1 ILE 94 2HD1 ILE 94 6.035 -7.444 5.620 697 3HD1 ILE 94 3HD1 ILE 94 6.914 -6.210 6.527 698 H HIS 95 H HIS 95 11.717 -9.085 7.127 699 HA HIS 95 HA HIS 95 13.597 -7.048 7.816 700 1HB HIS 95 2HB HIS 95 13.411 -9.938 8.686 701 2HB HIS 95 1HB HIS 95 14.503 -8.748 9.389 702 HD1 HIS 95 1HD HIS 95 12.859 -9.771 11.468 703 HD2 HIS 95 2HD HIS 95 11.329 -6.898 8.887 704 HE1 HIS 95 1HE HIS 95 10.911 -8.751 12.663 705 HE2 HIS 95 2HE HIS 95 9.840 -7.238 10.971 706 H GLY 96 H GLY 96 13.761 -9.947 5.831 707 1HA GLY 96 2HA GLY 96 16.657 -9.982 5.886 708 2HA GLY 96 1HA GLY 96 15.613 -11.079 4.992 709 H CYS 97 H CYS 97 14.129 -9.291 3.517 710 HA CYS 97 HA CYS 97 15.972 -8.659 1.478 711 1HB CYS 97 2HB CYS 97 13.045 -7.983 1.695 712 2HB CYS 97 1HB CYS 97 14.024 -7.871 0.235 713 H GLU 98 H GLU 98 14.145 -6.708 3.845 714 HA GLU 98 HA GLU 98 15.040 -4.184 3.095 715 1HB GLU 98 2HB GLU 98 13.440 -4.600 4.920 716 2HB GLU 98 1HB GLU 98 14.733 -5.265 5.905 717 1HG GLU 98 2HG GLU 98 15.828 -3.100 5.958 718 2HG GLU 98 1HG GLU 98 14.573 -2.427 4.918 719 H LYS 99 H LYS 99 16.726 -6.677 4.970 720 HA LYS 99 HA LYS 99 19.054 -5.187 5.511 721 1HB LYS 99 2HB LYS 99 18.677 -7.197 6.733 722 2HB LYS 99 1HB LYS 99 18.560 -8.153 5.263 723 1HG LYS 99 2HG LYS 99 20.935 -7.777 4.830 724 2HG LYS 99 1HG LYS 99 21.054 -6.819 6.306 725 1HD LYS 99 2HD LYS 99 20.544 -8.724 7.662 726 2HD LYS 99 1HD LYS 99 20.152 -9.692 6.239 727 1HE LYS 99 2HE LYS 99 22.874 -8.553 6.871 728 2HE LYS 99 1HE LYS 99 22.379 -10.220 7.165 729 1HZ LYS 99 1HZ LYS 99 22.537 -8.884 4.510 730 2HZ LYS 99 2HZ LYS 99 21.991 -10.464 4.770 731 3HZ LYS 99 3HZ LYS 99 23.606 -10.060 5.102 732 H SER 100 H SER 100 18.187 -7.263 2.771 733 HA SER 100 HA SER 100 20.751 -6.647 1.501 734 1HB SER 100 2HB SER 100 18.621 -8.632 0.683 735 2HB SER 100 1HB SER 100 20.230 -8.483 -0.015 736 HG SER 100 HG SER 100 21.002 -8.876 2.203 737 H ALA 101 H ALA 101 18.434 -4.751 1.706 738 HA ALA 101 HA ALA 101 17.410 -4.452 -0.950 739 1HB ALA 101 1HB ALA 101 17.408 -2.527 1.371 740 2HB ALA 101 2HB ALA 101 16.130 -3.676 0.969 741 3HB ALA 101 3HB ALA 101 16.488 -2.335 -0.121 742 HA PRO 102 HA PRO 102 20.740 -2.255 -2.838 743 1HB PRO 102 2HB PRO 102 18.724 -0.592 -4.212 744 2HB PRO 102 1HB PRO 102 19.929 -1.689 -4.895 745 1HG PRO 102 2HG PRO 102 17.328 -2.311 -4.901 746 2HG PRO 102 1HG PRO 102 18.573 -3.547 -4.642 747 1HD PRO 102 2HD PRO 102 16.835 -2.160 -2.633 748 2HD PRO 102 1HD PRO 102 17.279 -3.879 -2.737 749 HA PRO 103 HA PRO 103 21.263 1.508 -0.551 750 1HB PRO 103 2HB PRO 103 23.200 2.360 -2.580 751 2HB PRO 103 1HB PRO 103 23.465 1.942 -0.887 752 1HG PRO 103 2HG PRO 103 24.315 0.364 -2.893 753 2HG PRO 103 1HG PRO 103 23.750 -0.300 -1.348 754 1HD PRO 103 2HD PRO 103 22.295 -0.087 -3.961 755 2HD PRO 103 1HD PRO 103 22.352 -1.442 -2.813 756 H ASN 104 H ASN 104 19.001 1.787 -1.893 757 HA ASN 104 HA ASN 104 19.223 4.479 -3.074 758 1HB ASN 104 2HB ASN 104 17.208 2.299 -3.674 759 2HB ASN 104 1HB ASN 104 17.029 3.967 -4.207 760 1HD2 ASN 104 1HD2 ASN 104 17.313 1.435 -5.694 761 2HD2 ASN 104 2HD2 ASN 104 18.658 1.685 -6.768 762 H ASP 105 H ASP 105 18.469 5.981 -1.723 763 HA ASP 105 HA ASP 105 16.989 5.135 0.614 764 1HB ASP 105 2HB ASP 105 18.753 6.807 0.889 765 2HB ASP 105 1HB ASP 105 17.898 7.902 -0.196 766 H ASP 106 H ASP 106 14.978 4.513 -0.198 767 HA ASP 106 HA ASP 106 13.296 6.876 -0.634 768 1HB ASP 106 2HB ASP 106 13.218 4.232 -2.041 769 2HB ASP 106 1HB ASP 106 11.741 5.165 -1.841 770 H LYS 107 H LYS 107 12.798 7.067 1.436 771 HA LYS 107 HA LYS 107 12.045 5.384 3.347 772 1HB LYS 107 2HB LYS 107 10.440 7.107 4.206 773 2HB LYS 107 1HB LYS 107 12.068 7.661 3.879 774 1HG LYS 107 2HG LYS 107 9.922 8.040 1.831 775 2HG LYS 107 1HG LYS 107 10.036 9.127 3.214 776 1HD LYS 107 2HD LYS 107 12.102 8.637 1.070 777 2HD LYS 107 1HD LYS 107 11.236 10.145 1.426 778 1HE LYS 107 2HE LYS 107 12.410 10.408 3.491 779 2HE LYS 107 1HE LYS 107 13.120 8.800 3.369 780 1HZ LYS 107 1HZ LYS 107 13.648 10.789 1.261 781 2HZ LYS 107 2HZ LYS 107 14.609 9.480 1.765 782 3HZ LYS 107 3HZ LYS 107 14.499 10.876 2.724 783 H CYS 108 H CYS 108 9.551 6.386 0.873 784 HA CYS 108 HA CYS 108 7.739 4.532 2.125 785 1HB CYS 108 2HB CYS 108 7.014 6.700 1.118 786 2HB CYS 108 1HB CYS 108 7.381 6.040 -0.467 787 H MET 109 H MET 109 10.080 4.316 -0.429 788 HA MET 109 HA MET 109 8.557 2.365 -1.890 789 1HB MET 109 2HB MET 109 10.696 4.112 -2.503 790 2HB MET 109 1HB MET 109 11.198 2.472 -2.897 791 1HG MET 109 2HG MET 109 8.694 3.821 -3.845 792 2HG MET 109 1HG MET 109 10.162 3.581 -4.785 793 1HE MET 109 1HE MET 109 11.100 0.678 -4.107 794 2HE MET 109 2HE MET 109 10.962 1.302 -5.750 795 3HE MET 109 3HE MET 109 10.246 -0.256 -5.336 796 H LYS 110 H LYS 110 11.074 2.199 0.478 797 HA LYS 110 HA LYS 110 12.498 -0.025 -0.474 798 1HB LYS 110 2HB LYS 110 13.266 -0.444 1.820 799 2HB LYS 110 1HB LYS 110 13.477 1.229 1.340 800 1HG LYS 110 2HG LYS 110 11.003 0.612 2.801 801 2HG LYS 110 1HG LYS 110 12.499 0.382 3.708 802 1HD LYS 110 2HD LYS 110 13.080 2.739 2.715 803 2HD LYS 110 1HD LYS 110 11.323 2.857 2.561 804 1HE LYS 110 2HE LYS 110 12.081 3.817 4.672 805 2HE LYS 110 1HE LYS 110 11.077 2.395 4.947 806 1HZ LYS 110 1HZ LYS 110 13.994 2.073 4.807 807 2HZ LYS 110 2HZ LYS 110 12.847 1.173 5.685 808 3HZ LYS 110 3HZ LYS 110 13.311 2.716 6.218 809 H THR 111 H THR 111 9.851 0.118 1.784 810 HA THR 111 HA THR 111 9.511 -2.563 2.277 811 HB THR 111 HB THR 111 8.290 -0.165 2.907 812 HG1 THR 111 1HG THR 111 8.836 -2.033 4.245 813 1HG2 THR 111 1HG2 THR 111 6.499 -0.402 1.290 814 2HG2 THR 111 2HG2 THR 111 5.841 -0.809 2.875 815 3HG2 THR 111 3HG2 THR 111 6.257 -2.093 1.743 816 H ILE 112 H ILE 112 9.014 -1.024 -0.784 817 HA ILE 112 HA ILE 112 7.108 -3.092 -1.597 818 HB ILE 112 HB ILE 112 8.227 -0.790 -3.164 819 1HG1 ILE 112 2HG1 ILE 112 5.681 -0.354 -3.378 820 2HG1 ILE 112 1HG1 ILE 112 5.543 -1.435 -1.997 821 1HG2 ILE 112 1HG2 ILE 112 8.062 -2.717 -4.623 822 2HG2 ILE 112 2HG2 ILE 112 6.824 -1.523 -5.021 823 3HG2 ILE 112 3HG2 ILE 112 6.392 -2.969 -4.108 824 1HD1 ILE 112 1HD1 ILE 112 7.040 0.062 -0.734 825 2HD1 ILE 112 2HD1 ILE 112 5.542 0.837 -1.244 826 3HD1 ILE 112 3HD1 ILE 112 7.045 1.168 -2.107 827 H ASP 113 H ASP 113 10.447 -2.033 -2.051 828 HA ASP 113 HA ASP 113 11.250 -4.001 -3.875 829 1HB ASP 113 2HB ASP 113 12.729 -2.450 -1.770 830 2HB ASP 113 1HB ASP 113 13.537 -3.725 -2.674 831 H VAL 114 H VAL 114 10.807 -4.125 -0.378 832 HA VAL 114 HA VAL 114 11.979 -6.746 -0.246 833 HB VAL 114 HB VAL 114 11.471 -6.748 2.085 834 1HG1 VAL 114 1HG1 VAL 114 12.312 -3.939 1.853 835 2HG1 VAL 114 2HG1 VAL 114 13.237 -5.104 0.908 836 3HG1 VAL 114 3HG1 VAL 114 13.091 -5.301 2.653 837 1HG2 VAL 114 1HG2 VAL 114 9.312 -5.795 2.093 838 2HG2 VAL 114 2HG2 VAL 114 9.920 -4.235 1.572 839 3HG2 VAL 114 3HG2 VAL 114 10.334 -4.864 3.170 840 H ALA 115 H ALA 115 8.754 -5.305 -0.326 841 HA ALA 115 HA ALA 115 7.213 -7.607 0.018 842 1HB ALA 115 1HB ALA 115 6.318 -5.339 -0.058 843 2HB ALA 115 2HB ALA 115 5.441 -6.435 -1.115 844 3HB ALA 115 3HB ALA 115 6.599 -5.287 -1.792 845 H MET 116 H MET 116 8.483 -6.203 -3.004 846 HA MET 116 HA MET 116 7.469 -8.329 -4.576 847 1HB MET 116 2HB MET 116 8.805 -7.477 -6.434 848 2HB MET 116 1HB MET 116 7.885 -6.215 -5.643 849 1HG MET 116 2HG MET 116 9.974 -5.317 -6.218 850 2HG MET 116 1HG MET 116 9.996 -5.527 -4.479 851 1HE MET 116 1HE MET 116 12.453 -4.943 -6.272 852 2HE MET 116 2HE MET 116 13.696 -6.117 -5.833 853 3HE MET 116 3HE MET 116 12.789 -5.278 -4.576 854 H CYS 117 H CYS 117 10.209 -8.016 -2.634 855 HA CYS 117 HA CYS 117 11.754 -10.192 -3.629 856 1HB CYS 117 2HB CYS 117 12.678 -8.357 -2.287 857 2HB CYS 117 1HB CYS 117 11.702 -8.871 -0.919 858 H PHE 118 H PHE 118 8.961 -9.856 -1.664 859 HA PHE 118 HA PHE 118 9.200 -12.449 -0.457 860 1HB PHE 118 2HB PHE 118 8.043 -10.900 0.889 861 2HB PHE 118 1HB PHE 118 6.993 -10.395 -0.430 862 HD1 PHE 118 1HD PHE 118 4.810 -11.130 -0.341 863 HD2 PHE 118 2HD PHE 118 7.842 -13.529 1.455 864 HE1 PHE 118 1HE PHE 118 3.103 -12.720 0.422 865 HE2 PHE 118 2HE PHE 118 6.132 -15.119 2.213 866 HZ PHE 118 HZ PHE 118 3.760 -14.716 1.701 867 H LYS 119 H LYS 119 7.139 -11.082 -3.087 868 HA LYS 119 HA LYS 119 5.993 -13.672 -3.535 869 1HB LYS 119 2HB LYS 119 4.575 -12.679 -4.918 870 2HB LYS 119 1HB LYS 119 5.338 -11.157 -4.534 871 1HG LYS 119 2HG LYS 119 6.304 -12.914 -6.773 872 2HG LYS 119 1HG LYS 119 5.004 -11.744 -6.989 873 1HD LYS 119 2HD LYS 119 7.797 -11.101 -6.049 874 2HD LYS 119 1HD LYS 119 7.191 -10.865 -7.690 875 1HE LYS 119 2HE LYS 119 6.048 -9.583 -5.221 876 2HE LYS 119 1HE LYS 119 7.179 -8.803 -6.321 877 1HZ LYS 119 1HZ LYS 119 4.902 -8.155 -6.796 878 2HZ LYS 119 2HZ LYS 119 4.458 -9.773 -7.050 879 3HZ LYS 119 3HZ LYS 119 5.559 -9.019 -8.099 880 H LYS 120 H LYS 120 8.875 -12.055 -4.611 881 HA LYS 120 HA LYS 120 9.830 -13.770 -6.543 882 1HB LYS 120 2HB LYS 120 10.861 -11.733 -5.157 883 2HB LYS 120 1HB LYS 120 11.692 -13.073 -4.373 884 1HG LYS 120 2HG LYS 120 12.972 -13.486 -6.153 885 2HG LYS 120 1HG LYS 120 11.650 -13.207 -7.294 886 1HD LYS 120 2HD LYS 120 13.202 -11.104 -5.839 887 2HD LYS 120 1HD LYS 120 13.399 -11.518 -7.540 888 1HE LYS 120 2HE LYS 120 10.884 -10.975 -7.717 889 2HE LYS 120 1HE LYS 120 11.086 -10.175 -6.157 890 1HZ LYS 120 1HZ LYS 120 12.872 -8.822 -7.183 891 2HZ LYS 120 2HZ LYS 120 11.356 -8.572 -7.902 892 3HZ LYS 120 3HZ LYS 120 12.516 -9.530 -8.683 893 H GLU 121 H GLU 121 10.390 -14.086 -3.027 894 HA GLU 121 HA GLU 121 11.219 -16.739 -3.008 895 1HB GLU 121 2HB GLU 121 9.787 -15.129 -0.907 896 2HB GLU 121 1HB GLU 121 10.350 -16.768 -0.619 897 1HG GLU 121 2HG GLU 121 12.070 -14.405 -1.346 898 2HG GLU 121 1HG GLU 121 11.918 -15.143 0.245 899 H ILE 122 H ILE 122 7.823 -15.531 -2.799 900 HA ILE 122 HA ILE 122 6.606 -17.978 -2.388 901 HB ILE 122 HB ILE 122 5.726 -15.347 -2.943 902 1HG1 ILE 122 2HG1 ILE 122 5.019 -16.876 -1.135 903 2HG1 ILE 122 1HG1 ILE 122 3.677 -16.108 -1.971 904 1HG2 ILE 122 1HG2 ILE 122 4.268 -17.313 -4.709 905 2HG2 ILE 122 2HG2 ILE 122 5.391 -16.086 -5.297 906 3HG2 ILE 122 3HG2 ILE 122 3.906 -15.602 -4.480 907 1HD1 ILE 122 1HD1 ILE 122 3.307 -18.172 -3.243 908 2HD1 ILE 122 2HD1 ILE 122 3.180 -18.427 -1.503 909 3HD1 ILE 122 3HD1 ILE 122 4.633 -18.935 -2.364 910 H HIS 123 H HIS 123 7.775 -16.577 -5.454 911 HA HIS 123 HA HIS 123 6.834 -18.734 -7.066 912 1HB HIS 123 2HB HIS 123 8.852 -16.545 -7.472 913 2HB HIS 123 1HB HIS 123 8.689 -17.839 -8.652 914 HD1 HIS 123 1HD HIS 123 7.352 -17.057 -10.556 915 HD2 HIS 123 2HD HIS 123 5.946 -15.501 -6.959 916 HE1 HIS 123 1HE HIS 123 5.338 -15.669 -11.154 917 HE2 HIS 123 2HE HIS 123 4.522 -14.704 -8.975 918 H LYS 124 H LYS 124 9.708 -18.157 -5.174 919 HA LYS 124 HA LYS 124 11.282 -20.269 -6.223 920 1HB LYS 124 2HB LYS 124 12.359 -18.445 -5.152 921 2HB LYS 124 1HB LYS 124 11.363 -18.602 -3.717 922 1HG LYS 124 2HG LYS 124 12.501 -20.708 -3.175 923 2HG LYS 124 1HG LYS 124 13.523 -20.503 -4.605 924 1HD LYS 124 2HD LYS 124 14.613 -18.661 -3.723 925 2HD LYS 124 1HD LYS 124 13.309 -18.310 -2.589 926 1HE LYS 124 2HE LYS 124 13.933 -20.456 -1.411 927 2HE LYS 124 1HE LYS 124 15.376 -20.491 -2.428 928 1HZ LYS 124 1HZ LYS 124 16.119 -18.449 -1.506 929 2HZ LYS 124 2HZ LYS 124 15.681 -19.433 -0.203 930 3HZ LYS 124 3HZ LYS 124 14.648 -18.187 -0.706 931 H LEU 125 H LEU 125 8.733 -20.061 -3.909 932 HA LEU 125 HA LEU 125 9.188 -22.518 -2.548 933 1HB LEU 125 2HB LEU 125 6.634 -20.964 -2.973 934 2HB LEU 125 1HB LEU 125 6.814 -22.309 -1.864 935 HG LEU 125 HG LEU 125 8.302 -19.689 -1.658 936 1HD1 LEU 125 1HD1 LEU 125 5.919 -19.417 -1.222 937 2HD1 LEU 125 2HD1 LEU 125 6.859 -19.258 0.264 938 3HD1 LEU 125 3HD1 LEU 125 5.972 -20.748 -0.065 939 1HD2 LEU 125 1HD2 LEU 125 9.549 -21.561 -0.725 940 2HD2 LEU 125 2HD2 LEU 125 8.141 -22.037 0.226 941 3HD2 LEU 125 3HD2 LEU 125 8.949 -20.503 0.551 942 H ASN 126 H ASN 126 8.748 -22.171 -5.707 943 HA ASN 126 HA ASN 126 7.844 -23.259 -7.448 944 1HB ASN 126 2HB ASN 126 8.184 -25.671 -7.490 945 2HB ASN 126 1HB ASN 126 9.565 -24.850 -6.784 946 1HD2 ASN 126 1HD2 ASN 126 10.120 -25.256 -4.687 947 2HD2 ASN 126 2HD2 ASN 126 9.388 -26.506 -3.740 948 H TRP 127 H TRP 127 6.426 -25.760 -7.505 949 HA TRP 127 HA TRP 127 3.814 -24.601 -7.374 950 1HB TRP 127 2HB TRP 127 4.247 -27.518 -7.893 951 2HB TRP 127 1HB TRP 127 3.137 -26.393 -8.677 952 HD1 TRP 127 HD TRP 127 6.438 -28.022 -9.124 953 HE1 TRP 127 1HE TRP 127 7.663 -27.054 -11.165 954 HE3 TRP 127 3HE TRP 127 3.451 -23.971 -9.998 955 HZ2 TRP 127 2HZ TRP 127 7.387 -24.860 -12.926 956 HZ3 TRP 127 3HZ TRP 127 4.000 -22.485 -11.880 957 HH2 TRP 127 HH TRP 127 5.929 -22.920 -13.314 958 H VAL 128 H VAL 128 5.197 -27.551 -5.949 959 HA VAL 128 HA VAL 128 4.740 -28.746 -4.091 960 HB VAL 128 HB VAL 128 4.490 -26.077 -3.250 961 1HG1 VAL 128 1HG1 VAL 128 2.264 -27.743 -2.082 962 2HG1 VAL 128 2HG1 VAL 128 2.079 -26.301 -3.082 963 3HG1 VAL 128 3HG1 VAL 128 2.801 -26.175 -1.477 964 1HG2 VAL 128 1HG2 VAL 128 4.670 -28.621 -1.646 965 2HG2 VAL 128 2HG2 VAL 128 5.052 -27.005 -1.052 966 3HG2 VAL 128 3HG2 VAL 128 6.017 -27.721 -2.343 967 HA PRO 129 HA PRO 129 0.739 -30.536 -4.876 968 1HB PRO 129 2HB PRO 129 0.905 -31.653 -2.145 969 2HB PRO 129 1HB PRO 129 0.765 -32.491 -3.694 970 1HG PRO 129 2HG PRO 129 3.055 -32.509 -2.305 971 2HG PRO 129 1HG PRO 129 3.048 -32.439 -4.078 972 1HD PRO 129 2HD PRO 129 3.484 -30.236 -2.094 973 2HD PRO 129 1HD PRO 129 4.330 -30.556 -3.624 974 H ASN 130 H ASN 130 -0.662 -28.832 -4.857 975 HA ASN 130 HA ASN 130 -1.376 -27.599 -2.328 976 1HB ASN 130 2HB ASN 130 -2.724 -26.035 -3.768 977 2HB ASN 130 1HB ASN 130 -0.992 -26.021 -4.062 978 1HD2 ASN 130 1HD2 ASN 130 -1.256 -25.163 -6.093 979 2HD2 ASN 130 2HD2 ASN 130 -1.860 -26.087 -7.425 980 H MET 131 H MET 131 -3.770 -27.009 -2.119 981 HA MET 131 HA MET 131 -5.192 -29.556 -2.103 982 1HB MET 131 2HB MET 131 -6.697 -28.449 -0.500 983 2HB MET 131 1HB MET 131 -5.016 -28.340 0.007 984 1HG MET 131 2HG MET 131 -4.949 -26.039 -0.941 985 2HG MET 131 1HG MET 131 -6.677 -26.170 -1.254 986 1HE MET 131 1HE MET 131 -8.133 -26.473 2.373 987 2HE MET 131 2HE MET 131 -7.669 -27.804 1.313 988 3HE MET 131 3HE MET 131 -8.511 -26.404 0.652 989 H ASP 132 H ASP 132 -7.306 -29.804 -2.887 990 HA ASP 132 HA ASP 132 -8.025 -28.039 -5.071 991 1HB ASP 132 2HB ASP 132 -9.699 -29.643 -5.651 992 2HB ASP 132 1HB ASP 132 -8.275 -30.564 -5.180 993 H LEU 133 H LEU 133 -10.265 -27.225 -5.240 994 HA LEU 133 HA LEU 133 -11.382 -26.531 -2.611 995 1HB LEU 133 2HB LEU 133 -10.012 -24.679 -3.616 996 2HB LEU 133 1HB LEU 133 -11.151 -24.632 -4.949 997 HG LEU 133 HG LEU 133 -12.951 -24.021 -3.379 998 1HD1 LEU 133 1HD1 LEU 133 -12.073 -25.103 -1.380 999 2HD1 LEU 133 2HD1 LEU 133 -12.400 -23.395 -1.083 1000 3HD1 LEU 133 3HD1 LEU 133 -10.742 -23.947 -1.327 1001 1HD2 LEU 133 1HD2 LEU 133 -10.513 -22.254 -3.235 1002 2HD2 LEU 133 2HD2 LEU 133 -12.171 -21.750 -2.904 1003 3HD2 LEU 133 3HD2 LEU 133 -11.714 -22.271 -4.526 1004 H VAL 134 H VAL 134 -12.325 -28.639 -4.040 1005 HA VAL 134 HA VAL 134 -14.534 -27.822 -5.708 1006 HB VAL 134 HB VAL 134 -13.903 -30.548 -4.559 1007 1HG1 VAL 134 1HG1 VAL 134 -15.377 -31.399 -6.322 1008 2HG1 VAL 134 2HG1 VAL 134 -15.765 -29.744 -6.793 1009 3HG1 VAL 134 3HG1 VAL 134 -16.240 -30.345 -5.204 1010 1HG2 VAL 134 1HG2 VAL 134 -12.101 -29.757 -5.978 1011 2HG2 VAL 134 2HG2 VAL 134 -13.250 -29.357 -7.254 1012 3HG2 VAL 134 3HG2 VAL 134 -12.994 -31.041 -6.794 1013 H ILE 135 H ILE 135 -16.269 -26.917 -4.829 1014 HA ILE 135 HA ILE 135 -17.063 -27.452 -2.101 1015 HB ILE 135 HB ILE 135 -18.167 -25.680 -4.276 1016 1HG1 ILE 135 2HG1 ILE 135 -17.873 -23.943 -2.478 1017 2HG1 ILE 135 1HG1 ILE 135 -17.118 -25.183 -1.486 1018 1HG2 ILE 135 1HG2 ILE 135 -20.118 -26.681 -3.230 1019 2HG2 ILE 135 2HG2 ILE 135 -19.976 -24.977 -2.799 1020 3HG2 ILE 135 3HG2 ILE 135 -19.515 -26.221 -1.637 1021 1HD1 ILE 135 1HD1 ILE 135 -15.351 -25.434 -3.148 1022 2HD1 ILE 135 2HD1 ILE 135 -15.465 -23.776 -2.559 1023 3HD1 ILE 135 3HD1 ILE 135 -16.116 -24.195 -4.143 1024 H GLY 136 H GLY 136 -18.566 -28.877 -1.418 1025 1HA GLY 136 2HA GLY 136 -19.769 -30.736 -3.215 1026 2HA GLY 136 1HA GLY 136 -20.132 -30.564 -1.500 1027 H GLU 137 H GLU 137 -20.951 -29.605 -4.719 1028 HA GLU 137 HA GLU 137 -22.614 -27.431 -4.203 1029 1HB GLU 137 2HB GLU 137 -21.688 -28.075 -6.414 1030 2HB GLU 137 1HB GLU 137 -22.832 -29.408 -6.474 1031 1HG GLU 137 2HG GLU 137 -24.679 -27.913 -6.563 1032 2HG GLU 137 1HG GLU 137 -23.641 -26.522 -6.246 1033 H VAL 138 H VAL 138 -24.739 -27.170 -3.857 1034 HA VAL 138 HA VAL 138 -26.126 -28.962 -2.274 1035 HB VAL 138 HB VAL 138 -26.578 -26.557 -2.337 1036 1HG1 VAL 138 1HG1 VAL 138 -27.923 -25.563 -4.114 1037 2HG1 VAL 138 2HG1 VAL 138 -27.878 -27.086 -5.002 1038 3HG1 VAL 138 3HG1 VAL 138 -26.388 -26.180 -4.729 1039 1HG2 VAL 138 1HG2 VAL 138 -28.275 -28.016 -1.388 1040 2HG2 VAL 138 2HG2 VAL 138 -29.020 -28.208 -2.975 1041 3HG2 VAL 138 3HG2 VAL 138 -29.020 -26.630 -2.186 1042 H LEU 139 H LEU 139 -27.657 -30.482 -2.577 1043 HA LEU 139 HA LEU 139 -28.115 -31.391 -5.335 1044 1HB LEU 139 2HB LEU 139 -27.129 -32.966 -3.661 1045 2HB LEU 139 1HB LEU 139 -28.594 -32.829 -2.715 1046 HG LEU 139 HG LEU 139 -28.788 -33.785 -5.546 1047 1HD1 LEU 139 1HD1 LEU 139 -27.958 -35.472 -3.188 1048 2HD1 LEU 139 2HD1 LEU 139 -26.970 -35.091 -4.600 1049 3HD1 LEU 139 3HD1 LEU 139 -28.418 -36.082 -4.778 1050 1HD2 LEU 139 1HD2 LEU 139 -30.640 -35.093 -4.621 1051 2HD2 LEU 139 2HD2 LEU 139 -30.842 -33.376 -4.277 1052 3HD2 LEU 139 3HD2 LEU 139 -30.284 -34.469 -3.011 1053 H ALA 140 H ALA 140 -29.620 -30.080 -2.535 1054 HA ALA 140 HA ALA 140 -32.278 -30.888 -2.951 1055 1HB ALA 140 1HB ALA 140 -32.870 -29.129 -1.386 1056 2HB ALA 140 2HB ALA 140 -31.271 -28.407 -1.569 1057 3HB ALA 140 3HB ALA 140 -31.437 -29.998 -0.830 1058 H GLU 141 H GLU 141 -33.681 -30.346 -4.435 1059 HA GLU 141 HA GLU 141 -33.625 -27.640 -5.578 1060 1HB GLU 141 2HB GLU 141 -33.652 -30.261 -6.974 1061 2HB GLU 141 1HB GLU 141 -34.727 -29.027 -7.613 1062 1HG GLU 141 2HG GLU 141 -31.779 -28.624 -7.171 1063 2HG GLU 141 1HG GLU 141 -32.497 -29.127 -8.702 1064 H VAL 142 H VAL 142 -35.704 -30.502 -5.843 1065 HA VAL 142 HA VAL 142 -37.785 -29.266 -4.290 1066 HB VAL 142 HB VAL 142 -38.285 -28.199 -6.387 1067 1HG1 VAL 142 1HG1 VAL 142 -38.265 -30.946 -7.632 1068 2HG1 VAL 142 2HG1 VAL 142 -37.084 -29.665 -7.906 1069 3HG1 VAL 142 3HG1 VAL 142 -38.752 -29.456 -8.440 1070 1HG2 VAL 142 1HG2 VAL 142 -40.545 -29.044 -6.819 1071 2HG2 VAL 142 2HG2 VAL 142 -40.197 -28.961 -5.091 1072 3HG2 VAL 142 3HG2 VAL 142 -40.161 -30.515 -5.926 Start of MODEL 12 1 1H SER 1 1HT SER 1 -7.022 -17.509 -2.300 2 2H SER 1 2HT SER 1 -6.349 -15.956 -2.337 3 3H SER 1 3HT SER 1 -7.873 -16.234 -3.024 4 HA SER 1 HA SER 1 -8.770 -16.778 -0.858 5 1HB SER 1 2HB SER 1 -6.074 -15.860 0.167 6 2HB SER 1 1HB SER 1 -7.431 -16.444 1.130 7 HG SER 1 HG SER 1 -5.596 -17.948 0.523 8 HA PRO 2 HA PRO 2 -9.812 -12.495 -1.744 9 1HB PRO 2 2HB PRO 2 -11.917 -13.098 0.257 10 2HB PRO 2 1HB PRO 2 -12.071 -12.454 -1.381 11 1HG PRO 2 2HG PRO 2 -12.748 -14.972 -0.828 12 2HG PRO 2 1HG PRO 2 -11.956 -14.547 -2.358 13 1HD PRO 2 2HD PRO 2 -10.800 -15.833 0.084 14 2HD PRO 2 1HD PRO 2 -10.470 -16.163 -1.630 15 H GLU 3 H GLU 3 -9.275 -13.958 1.360 16 HA GLU 3 HA GLU 3 -9.382 -11.885 3.136 17 1HB GLU 3 2HB GLU 3 -7.375 -14.125 2.932 18 2HB GLU 3 1HB GLU 3 -7.433 -13.023 4.298 19 1HG GLU 3 2HG GLU 3 -8.570 -15.097 4.804 20 2HG GLU 3 1HG GLU 3 -9.704 -13.749 4.798 21 H ILE 4 H ILE 4 -6.273 -12.826 1.611 22 HA ILE 4 HA ILE 4 -5.150 -10.299 2.281 23 HB ILE 4 HB ILE 4 -3.876 -12.456 2.254 24 1HG1 ILE 4 2HG1 ILE 4 -1.817 -11.467 1.184 25 2HG1 ILE 4 1HG1 ILE 4 -2.827 -10.137 0.625 26 1HG2 ILE 4 1HG2 ILE 4 -4.004 -12.089 -0.734 27 2HG2 ILE 4 2HG2 ILE 4 -4.746 -13.389 0.197 28 3HG2 ILE 4 3HG2 ILE 4 -2.990 -13.258 0.112 29 1HD1 ILE 4 1HD1 ILE 4 -3.413 -9.702 3.019 30 2HD1 ILE 4 2HD1 ILE 4 -1.723 -9.424 2.595 31 3HD1 ILE 4 3HD1 ILE 4 -2.185 -10.889 3.461 32 H MET 5 H MET 5 -6.975 -11.425 -0.335 33 HA MET 5 HA MET 5 -5.834 -9.723 -2.348 34 1HB MET 5 2HB MET 5 -8.233 -11.518 -2.209 35 2HB MET 5 1HB MET 5 -8.005 -10.426 -3.573 36 1HG MET 5 2HG MET 5 -6.103 -12.585 -2.689 37 2HG MET 5 1HG MET 5 -7.194 -12.662 -4.071 38 1HE MET 5 1HE MET 5 -6.938 -11.130 -6.245 39 2HE MET 5 2HE MET 5 -5.694 -9.892 -6.421 40 3HE MET 5 3HE MET 5 -6.972 -9.693 -5.221 41 H LYS 6 H LYS 6 -8.185 -9.417 0.131 42 HA LYS 6 HA LYS 6 -9.470 -7.124 -1.114 43 1HB LYS 6 2HB LYS 6 -10.798 -8.799 0.163 44 2HB LYS 6 1HB LYS 6 -9.925 -8.339 1.617 45 1HG LYS 6 2HG LYS 6 -10.814 -6.054 1.400 46 2HG LYS 6 1HG LYS 6 -11.732 -6.571 -0.017 47 1HD LYS 6 2HD LYS 6 -12.859 -8.269 1.395 48 2HD LYS 6 1HD LYS 6 -12.013 -7.612 2.798 49 1HE LYS 6 2HE LYS 6 -14.203 -6.668 2.753 50 2HE LYS 6 1HE LYS 6 -13.058 -5.405 2.303 51 1HZ LYS 6 1HZ LYS 6 -15.004 -5.385 0.882 52 2HZ LYS 6 2HZ LYS 6 -14.722 -6.988 0.420 53 3HZ LYS 6 3HZ LYS 6 -13.623 -5.773 -0.022 54 H ASN 7 H ASN 7 -8.536 -5.213 -0.972 55 HA ASN 7 HA ASN 7 -6.606 -4.689 1.148 56 1HB ASN 7 2HB ASN 7 -7.371 -3.163 -1.343 57 2HB ASN 7 1HB ASN 7 -6.288 -2.502 -0.123 58 1HD2 ASN 7 1HD2 ASN 7 -4.522 -2.408 -1.431 59 2HD2 ASN 7 2HD2 ASN 7 -3.689 -3.822 -1.998 60 H LEU 8 H LEU 8 -6.923 -3.351 2.833 61 HA LEU 8 HA LEU 8 -9.483 -2.614 3.646 62 1HB LEU 8 2HB LEU 8 -6.754 -1.718 4.504 63 2HB LEU 8 1HB LEU 8 -8.188 -0.971 5.180 64 HG LEU 8 HG LEU 8 -8.909 -3.354 5.812 65 1HD1 LEU 8 1HD1 LEU 8 -5.971 -3.946 5.693 66 2HD1 LEU 8 2HD1 LEU 8 -7.048 -4.354 4.355 67 3HD1 LEU 8 3HD1 LEU 8 -7.324 -5.051 5.950 68 1HD2 LEU 8 1HD2 LEU 8 -7.631 -3.242 7.882 69 2HD2 LEU 8 2HD2 LEU 8 -8.218 -1.648 7.402 70 3HD2 LEU 8 3HD2 LEU 8 -6.528 -2.080 7.143 71 H SER 9 H SER 9 -6.942 -0.615 2.167 72 HA SER 9 HA SER 9 -8.336 1.810 2.228 73 1HB SER 9 2HB SER 9 -6.306 0.952 0.154 74 2HB SER 9 1HB SER 9 -6.702 2.602 0.639 75 HG SER 9 HG SER 9 -4.776 1.309 1.604 76 H ASN 10 H ASN 10 -8.344 -0.824 -0.102 77 HA ASN 10 HA ASN 10 -9.824 0.529 -2.121 78 1HB ASN 10 2HB ASN 10 -8.438 -1.420 -2.644 79 2HB ASN 10 1HB ASN 10 -9.436 -2.431 -1.606 80 1HD2 ASN 10 1HD2 ASN 10 -10.582 0.043 -3.836 81 2HD2 ASN 10 2HD2 ASN 10 -11.422 -1.042 -4.891 82 H ASN 11 H ASN 11 -10.683 -1.550 0.596 83 HA ASN 11 HA ASN 11 -13.451 -1.720 -0.074 84 1HB ASN 11 2HB ASN 11 -12.453 -3.402 1.367 85 2HB ASN 11 1HB ASN 11 -11.999 -2.176 2.545 86 1HD2 ASN 11 1HD2 ASN 11 -13.524 -1.397 3.960 87 2HD2 ASN 11 2HD2 ASN 11 -15.116 -2.062 4.111 88 H PHE 12 H PHE 12 -11.765 0.027 2.518 89 HA PHE 12 HA PHE 12 -13.893 1.646 3.287 90 1HB PHE 12 2HB PHE 12 -10.926 2.037 3.505 91 2HB PHE 12 1HB PHE 12 -12.061 3.232 4.125 92 HD1 PHE 12 1HD PHE 12 -13.733 2.523 5.862 93 HD2 PHE 12 2HD PHE 12 -10.428 0.096 4.728 94 HE1 PHE 12 1HE PHE 12 -13.971 1.233 7.943 95 HE2 PHE 12 2HE PHE 12 -10.659 -1.197 6.806 96 HZ PHE 12 HZ PHE 12 -12.433 -0.632 8.417 97 H GLY 13 H GLY 13 -11.104 3.142 1.483 98 1HA GLY 13 2HA GLY 13 -11.106 5.108 0.301 99 2HA GLY 13 1HA GLY 13 -12.555 4.458 -0.450 100 H LYS 14 H LYS 14 -12.035 5.517 2.906 101 HA LYS 14 HA LYS 14 -14.531 6.948 2.859 102 1HB LYS 14 2HB LYS 14 -13.719 5.554 4.792 103 2HB LYS 14 1HB LYS 14 -12.492 6.777 5.082 104 1HG LYS 14 2HG LYS 14 -14.290 8.443 5.411 105 2HG LYS 14 1HG LYS 14 -15.474 7.145 5.238 106 1HD LYS 14 2HD LYS 14 -15.129 7.492 7.574 107 2HD LYS 14 1HD LYS 14 -14.336 5.976 7.140 108 1HE LYS 14 2HE LYS 14 -12.853 7.166 8.568 109 2HE LYS 14 1HE LYS 14 -12.196 7.256 6.934 110 1HZ LYS 14 1HZ LYS 14 -13.699 9.384 8.358 111 2HZ LYS 14 2HZ LYS 14 -13.207 9.486 6.740 112 3HZ LYS 14 3HZ LYS 14 -12.047 9.398 7.976 113 H ALA 15 H ALA 15 -11.112 7.678 2.958 114 HA ALA 15 HA ALA 15 -11.680 10.478 2.376 115 1HB ALA 15 1HB ALA 15 -10.013 11.219 4.054 116 2HB ALA 15 2HB ALA 15 -9.907 9.562 4.644 117 3HB ALA 15 3HB ALA 15 -11.422 10.456 4.785 118 H MET 16 H MET 16 -11.002 8.948 0.444 119 HA MET 16 HA MET 16 -8.235 8.328 0.162 120 1HB MET 16 2HB MET 16 -10.064 7.185 -1.080 121 2HB MET 16 1HB MET 16 -10.355 8.669 -1.975 122 1HG MET 16 2HG MET 16 -9.081 7.235 -3.357 123 2HG MET 16 1HG MET 16 -8.016 8.530 -2.818 124 1HE MET 16 1HE MET 16 -9.245 5.333 -0.842 125 2HE MET 16 2HE MET 16 -7.924 4.214 -1.180 126 3HE MET 16 3HE MET 16 -8.978 4.754 -2.486 127 H ASP 17 H ASP 17 -10.304 10.998 -0.784 128 HA ASP 17 HA ASP 17 -8.620 12.470 -2.410 129 1HB ASP 17 2HB ASP 17 -10.936 13.093 -2.099 130 2HB ASP 17 1HB ASP 17 -10.648 13.436 -0.396 131 H GLN 18 H GLN 18 -8.608 12.185 1.079 132 HA GLN 18 HA GLN 18 -6.814 14.466 1.259 133 1HB GLN 18 2HB GLN 18 -8.299 12.889 3.340 134 2HB GLN 18 1HB GLN 18 -7.049 14.052 3.764 135 1HG GLN 18 2HG GLN 18 -8.418 15.684 2.296 136 2HG GLN 18 1HG GLN 18 -9.728 14.532 2.524 137 1HE2 GLN 18 1HE2 GLN 18 -7.616 16.796 4.107 138 2HE2 GLN 18 2HE2 GLN 18 -8.518 16.891 5.585 139 H CYS 19 H CYS 19 -6.714 10.970 1.556 140 HA CYS 19 HA CYS 19 -4.047 11.016 2.623 141 1HB CYS 19 2HB CYS 19 -4.045 8.679 2.492 142 2HB CYS 19 1HB CYS 19 -5.716 9.086 2.848 143 H LYS 20 H LYS 20 -5.575 10.848 -0.497 144 HA LYS 20 HA LYS 20 -3.390 10.533 -2.175 145 1HB LYS 20 2HB LYS 20 -5.283 10.480 -3.401 146 2HB LYS 20 1HB LYS 20 -6.123 11.585 -2.340 147 1HG LYS 20 2HG LYS 20 -6.035 12.597 -4.456 148 2HG LYS 20 1HG LYS 20 -4.871 13.448 -3.445 149 1HD LYS 20 2HD LYS 20 -3.049 12.213 -4.467 150 2HD LYS 20 1HD LYS 20 -4.200 11.287 -5.435 151 1HE LYS 20 2HE LYS 20 -3.166 13.139 -6.704 152 2HE LYS 20 1HE LYS 20 -4.919 13.290 -6.577 153 1HZ LYS 20 1HZ LYS 20 -4.555 14.844 -4.703 154 2HZ LYS 20 2HZ LYS 20 -3.939 15.413 -6.173 155 3HZ LYS 20 3HZ LYS 20 -2.887 14.780 -5.006 156 H ASP 21 H ASP 21 -4.774 13.524 -0.857 157 HA ASP 21 HA ASP 21 -2.816 15.201 -2.067 158 1HB ASP 21 2HB ASP 21 -5.023 16.057 -1.423 159 2HB ASP 21 1HB ASP 21 -4.645 15.773 0.274 160 H GLU 22 H GLU 22 -3.100 13.707 1.114 161 HA GLU 22 HA GLU 22 -1.033 15.211 2.334 162 1HB GLU 22 2HB GLU 22 -2.994 13.713 3.297 163 2HB GLU 22 1HB GLU 22 -1.737 12.486 3.319 164 1HG GLU 22 2HG GLU 22 -1.528 15.169 4.659 165 2HG GLU 22 1HG GLU 22 -2.050 13.691 5.461 166 H LEU 23 H LEU 23 -1.056 12.039 0.692 167 HA LEU 23 HA LEU 23 1.719 11.548 1.292 168 1HB LEU 23 2HB LEU 23 -0.076 10.219 -0.744 169 2HB LEU 23 1HB LEU 23 1.527 9.667 -0.300 170 HG LEU 23 HG LEU 23 -1.024 9.499 1.234 171 1HD1 LEU 23 1HD1 LEU 23 -0.184 7.585 -0.061 172 2HD1 LEU 23 2HD1 LEU 23 -0.237 7.251 1.668 173 3HD1 LEU 23 3HD1 LEU 23 1.303 7.613 0.888 174 1HD2 LEU 23 1HD2 LEU 23 0.744 10.789 2.516 175 2HD2 LEU 23 2HD2 LEU 23 1.635 9.262 2.592 176 3HD2 LEU 23 3HD2 LEU 23 0.025 9.382 3.310 177 H SER 24 H SER 24 0.203 13.612 -0.696 178 HA SER 24 HA SER 24 0.840 15.034 -2.323 179 1HB SER 24 2HB SER 24 3.594 13.873 -1.839 180 2HB SER 24 1HB SER 24 3.246 15.353 -2.736 181 HG SER 24 HG SER 24 2.240 15.140 -0.138 182 H LEU 25 H LEU 25 -0.206 12.487 -2.905 183 HA LEU 25 HA LEU 25 1.216 11.169 -4.979 184 1HB LEU 25 2HB LEU 25 -1.745 11.314 -4.416 185 2HB LEU 25 1HB LEU 25 -1.050 10.292 -5.646 186 HG LEU 25 HG LEU 25 -0.879 9.967 -2.654 187 1HD1 LEU 25 1HD1 LEU 25 -2.712 9.109 -4.209 188 2HD1 LEU 25 2HD1 LEU 25 -2.016 8.026 -3.006 189 3HD1 LEU 25 3HD1 LEU 25 -1.517 7.910 -4.696 190 1HD2 LEU 25 1HD2 LEU 25 0.727 8.236 -2.922 191 2HD2 LEU 25 2HD2 LEU 25 1.393 9.696 -3.654 192 3HD2 LEU 25 3HD2 LEU 25 0.722 8.424 -4.676 193 HA PRO 26 HA PRO 26 0.348 14.247 -8.194 194 1HB PRO 26 2HB PRO 26 1.958 12.503 -9.889 195 2HB PRO 26 1HB PRO 26 2.277 14.167 -9.393 196 1HG PRO 26 2HG PRO 26 3.738 12.066 -8.502 197 2HG PRO 26 1HG PRO 26 3.461 13.528 -7.538 198 1HD PRO 26 2HD PRO 26 2.111 10.865 -7.373 199 2HD PRO 26 1HD PRO 26 2.651 11.928 -6.061 200 H ASP 27 H ASP 27 -0.616 14.013 -10.374 201 HA ASP 27 HA ASP 27 -2.833 12.312 -10.191 202 1HB ASP 27 2HB ASP 27 -3.563 13.202 -12.242 203 2HB ASP 27 1HB ASP 27 -2.718 14.509 -11.420 204 H SER 28 H SER 28 0.229 11.949 -11.812 205 HA SER 28 HA SER 28 -0.481 9.916 -13.613 206 1HB SER 28 2HB SER 28 2.229 10.318 -12.335 207 2HB SER 28 1HB SER 28 1.880 9.586 -13.902 208 HG SER 28 HG SER 28 1.010 11.662 -14.527 209 H VAL 29 H VAL 29 1.038 9.693 -10.394 210 HA VAL 29 HA VAL 29 1.188 6.867 -10.465 211 HB VAL 29 HB VAL 29 1.371 8.699 -8.075 212 1HG1 VAL 29 1HG1 VAL 29 2.851 6.576 -7.397 213 2HG1 VAL 29 2HG1 VAL 29 1.670 5.778 -8.443 214 3HG1 VAL 29 3HG1 VAL 29 1.123 6.697 -7.042 215 1HG2 VAL 29 1HG2 VAL 29 3.561 7.508 -9.773 216 2HG2 VAL 29 2HG2 VAL 29 3.777 8.545 -8.364 217 3HG2 VAL 29 3HG2 VAL 29 3.032 9.189 -9.828 218 H VAL 30 H VAL 30 -0.963 9.086 -8.627 219 HA VAL 30 HA VAL 30 -2.373 7.035 -7.338 220 HB VAL 30 HB VAL 30 -2.382 9.415 -6.667 221 1HG1 VAL 30 1HG1 VAL 30 -4.274 10.715 -7.583 222 2HG1 VAL 30 2HG1 VAL 30 -4.278 9.629 -8.966 223 3HG1 VAL 30 3HG1 VAL 30 -2.853 10.615 -8.606 224 1HG2 VAL 30 1HG2 VAL 30 -5.039 8.033 -6.925 225 2HG2 VAL 30 2HG2 VAL 30 -4.677 9.358 -5.820 226 3HG2 VAL 30 3HG2 VAL 30 -3.855 7.808 -5.637 227 H ALA 31 H ALA 31 -2.753 8.426 -10.548 228 HA ALA 31 HA ALA 31 -5.302 7.318 -11.138 229 1HB ALA 31 1HB ALA 31 -3.071 8.004 -13.027 230 2HB ALA 31 2HB ALA 31 -4.285 9.140 -12.431 231 3HB ALA 31 3HB ALA 31 -4.768 7.784 -13.453 232 H ASP 32 H ASP 32 -2.010 6.247 -12.000 233 HA ASP 32 HA ASP 32 -2.797 3.815 -13.209 234 1HB ASP 32 2HB ASP 32 -0.588 4.805 -13.589 235 2HB ASP 32 1HB ASP 32 -0.175 4.573 -11.895 236 H LEU 33 H LEU 33 -1.942 4.732 -9.956 237 HA LEU 33 HA LEU 33 -2.073 2.349 -8.581 238 1HB LEU 33 2HB LEU 33 -1.449 4.317 -7.464 239 2HB LEU 33 1HB LEU 33 -2.898 5.160 -7.964 240 HG LEU 33 HG LEU 33 -3.784 3.025 -6.368 241 1HD1 LEU 33 1HD1 LEU 33 -1.420 4.491 -5.224 242 2HD1 LEU 33 2HD1 LEU 33 -1.524 2.751 -5.527 243 3HD1 LEU 33 3HD1 LEU 33 -2.536 3.496 -4.285 244 1HD2 LEU 33 1HD2 LEU 33 -4.496 5.480 -6.739 245 2HD2 LEU 33 2HD2 LEU 33 -3.404 5.817 -5.390 246 3HD2 LEU 33 3HD2 LEU 33 -4.775 4.725 -5.167 247 H TYR 34 H TYR 34 -4.764 4.395 -9.706 248 HA TYR 34 HA TYR 34 -6.774 2.716 -8.564 249 1HB TYR 34 2HB TYR 34 -6.938 4.916 -10.612 250 2HB TYR 34 1HB TYR 34 -8.349 4.059 -9.994 251 HD1 TYR 34 1HD TYR 34 -7.264 7.089 -9.752 252 HD2 TYR 34 2HD TYR 34 -7.523 3.731 -7.155 253 HE1 TYR 34 1HE TYR 34 -7.299 8.597 -7.808 254 HE2 TYR 34 2HE TYR 34 -7.561 5.227 -5.211 255 HH TYR 34 HH TYR 34 -6.831 7.453 -4.634 256 H ASN 35 H ASN 35 -4.808 1.668 -10.910 257 HA ASN 35 HA ASN 35 -6.604 0.844 -12.939 258 1HB ASN 35 2HB ASN 35 -4.196 0.883 -13.336 259 2HB ASN 35 1HB ASN 35 -3.945 -0.332 -12.089 260 1HD2 ASN 35 1HD2 ASN 35 -2.907 -1.627 -13.630 261 2HD2 ASN 35 2HD2 ASN 35 -3.804 -2.537 -14.793 262 H PHE 36 H PHE 36 -8.311 -0.350 -12.543 263 HA PHE 36 HA PHE 36 -8.597 -1.971 -10.223 264 1HB PHE 36 2HB PHE 36 -10.487 -0.770 -11.228 265 2HB PHE 36 1HB PHE 36 -10.339 -1.735 -12.689 266 HD1 PHE 36 1HD PHE 36 -11.353 -3.855 -12.856 267 HD2 PHE 36 2HD PHE 36 -11.187 -1.868 -9.097 268 HE1 PHE 36 1HE PHE 36 -12.921 -5.503 -11.921 269 HE2 PHE 36 2HE PHE 36 -12.750 -3.517 -8.152 270 HZ PHE 36 HZ PHE 36 -13.620 -5.337 -9.566 271 H TRP 37 H TRP 37 -7.839 -2.584 -13.570 272 HA TRP 37 HA TRP 37 -8.162 -5.429 -13.417 273 1HB TRP 37 2HB TRP 37 -6.695 -3.706 -15.433 274 2HB TRP 37 1HB TRP 37 -7.047 -5.422 -15.625 275 HD1 TRP 37 HD TRP 37 -9.506 -6.107 -16.291 276 HE1 TRP 37 1HE TRP 37 -11.531 -4.772 -17.148 277 HE3 TRP 37 3HE TRP 37 -7.875 -1.380 -15.213 278 HZ2 TRP 37 2HZ TRP 37 -12.330 -2.074 -17.338 279 HZ3 TRP 37 3HZ TRP 37 -9.334 0.522 -15.764 280 HH2 TRP 37 HH TRP 37 -11.515 0.179 -16.805 281 H LYS 38 H LYS 38 -6.834 -6.855 -12.698 282 HA LYS 38 HA LYS 38 -4.387 -6.054 -11.469 283 1HB LYS 38 2HB LYS 38 -4.225 -8.395 -10.726 284 2HB LYS 38 1HB LYS 38 -5.777 -7.678 -10.342 285 1HG LYS 38 2HG LYS 38 -5.247 -9.582 -12.618 286 2HG LYS 38 1HG LYS 38 -5.969 -9.993 -11.072 287 1HD LYS 38 2HD LYS 38 -7.824 -8.431 -11.562 288 2HD LYS 38 1HD LYS 38 -7.125 -8.169 -13.162 289 1HE LYS 38 2HE LYS 38 -8.824 -9.801 -13.422 290 2HE LYS 38 1HE LYS 38 -7.283 -10.654 -13.519 291 1HZ LYS 38 1HZ LYS 38 -8.780 -11.889 -12.146 292 2HZ LYS 38 2HZ LYS 38 -9.105 -10.533 -11.179 293 3HZ LYS 38 3HZ LYS 38 -7.569 -11.245 -11.148 294 H ASP 39 H ASP 39 -3.661 -5.261 -13.615 295 HA ASP 39 HA ASP 39 -2.700 -6.625 -15.722 296 1HB ASP 39 2HB ASP 39 -2.430 -4.218 -15.313 297 2HB ASP 39 1HB ASP 39 -1.134 -4.559 -14.174 298 H ASP 40 H ASP 40 -1.406 -7.200 -12.479 299 HA ASP 40 HA ASP 40 0.149 -8.615 -11.687 300 1HB ASP 40 2HB ASP 40 -0.919 -10.190 -13.385 301 2HB ASP 40 1HB ASP 40 0.410 -9.780 -14.462 302 H TYR 41 H TYR 41 1.299 -6.589 -11.548 303 HA TYR 41 HA TYR 41 3.673 -6.533 -13.268 304 1HB TYR 41 2HB TYR 41 3.644 -4.018 -12.796 305 2HB TYR 41 1HB TYR 41 2.446 -4.629 -13.929 306 HD1 TYR 41 1HD TYR 41 0.208 -4.107 -13.622 307 HD2 TYR 41 2HD TYR 41 2.867 -3.727 -10.326 308 HE1 TYR 41 1HE TYR 41 -1.593 -3.091 -12.297 309 HE2 TYR 41 2HE TYR 41 1.074 -2.710 -8.989 310 HH TYR 41 HH TYR 41 -2.217 -2.713 -10.023 311 H VAL 42 H VAL 42 5.496 -5.329 -12.219 312 HA VAL 42 HA VAL 42 5.720 -6.057 -9.409 313 HB VAL 42 HB VAL 42 7.779 -4.733 -11.193 314 1HG1 VAL 42 1HG1 VAL 42 8.197 -4.442 -8.805 315 2HG1 VAL 42 2HG1 VAL 42 9.391 -5.518 -9.533 316 3HG1 VAL 42 3HG1 VAL 42 8.077 -6.186 -8.566 317 1HG2 VAL 42 1HG2 VAL 42 7.156 -6.880 -12.127 318 2HG2 VAL 42 2HG2 VAL 42 7.398 -7.656 -10.562 319 3HG2 VAL 42 3HG2 VAL 42 8.772 -6.965 -11.427 320 H MET 43 H MET 43 5.572 -4.601 -7.778 321 HA MET 43 HA MET 43 4.611 -1.982 -8.333 322 1HB MET 43 2HB MET 43 3.938 -3.165 -6.312 323 2HB MET 43 1HB MET 43 5.602 -3.192 -5.749 324 1HG MET 43 2HG MET 43 5.617 -0.838 -5.427 325 2HG MET 43 1HG MET 43 4.060 -0.655 -6.239 326 1HE MET 43 1HE MET 43 4.438 -2.957 -2.256 327 2HE MET 43 2HE MET 43 5.842 -2.371 -3.146 328 3HE MET 43 3HE MET 43 4.827 -3.639 -3.835 329 H THR 44 H THR 44 6.012 -0.836 -9.505 330 HA THR 44 HA THR 44 8.818 -0.764 -8.811 331 HB THR 44 HB THR 44 8.986 0.646 -10.889 332 HG1 THR 44 1HG THR 44 6.357 -0.156 -11.522 333 1HG2 THR 44 1HG2 THR 44 9.252 -1.846 -10.857 334 2HG2 THR 44 2HG2 THR 44 8.681 -1.206 -12.398 335 3HG2 THR 44 3HG2 THR 44 7.548 -1.982 -11.290 336 H ASP 45 H ASP 45 6.080 1.497 -8.942 337 HA ASP 45 HA ASP 45 7.730 3.686 -8.001 338 1HB ASP 45 2HB ASP 45 5.866 4.222 -9.468 339 2HB ASP 45 1HB ASP 45 4.732 3.524 -8.322 340 H ARG 46 H ARG 46 8.390 3.805 -6.156 341 HA ARG 46 HA ARG 46 7.568 2.642 -3.813 342 1HB ARG 46 2HB ARG 46 8.859 4.321 -2.673 343 2HB ARG 46 1HB ARG 46 9.694 3.849 -4.132 344 1HG ARG 46 2HG ARG 46 8.050 6.376 -3.835 345 2HG ARG 46 1HG ARG 46 9.803 6.270 -3.663 346 1HD ARG 46 2HD ARG 46 8.471 5.273 -6.149 347 2HD ARG 46 1HD ARG 46 8.807 6.982 -5.960 348 HE ARG 46 HE ARG 46 10.841 4.847 -5.996 349 1HH1 ARG 46 1HH1 ARG 46 9.900 8.192 -6.470 350 2HH1 ARG 46 2HH1 ARG 46 11.424 8.640 -7.180 351 1HH2 ARG 46 1HH2 ARG 46 12.831 5.446 -6.937 352 2HH2 ARG 46 2HH2 ARG 46 13.078 7.091 -7.444 353 H LEU 47 H LEU 47 6.285 5.565 -5.346 354 HA LEU 47 HA LEU 47 5.005 6.527 -3.023 355 1HB LEU 47 2HB LEU 47 5.771 8.001 -4.746 356 2HB LEU 47 1HB LEU 47 4.819 7.217 -5.965 357 HG LEU 47 HG LEU 47 2.802 7.961 -4.641 358 1HD1 LEU 47 1HD1 LEU 47 3.077 9.094 -2.770 359 2HD1 LEU 47 2HD1 LEU 47 4.088 10.282 -3.591 360 3HD1 LEU 47 3HD1 LEU 47 4.816 8.839 -2.883 361 1HD2 LEU 47 1HD2 LEU 47 3.610 8.847 -6.781 362 2HD2 LEU 47 2HD2 LEU 47 4.590 10.023 -5.893 363 3HD2 LEU 47 3HD2 LEU 47 2.829 10.075 -5.776 364 H ALA 48 H ALA 48 4.239 4.109 -5.314 365 HA ALA 48 HA ALA 48 1.379 4.216 -4.956 366 1HB ALA 48 1HB ALA 48 2.491 3.375 -7.044 367 2HB ALA 48 2HB ALA 48 1.304 2.275 -6.352 368 3HB ALA 48 3HB ALA 48 3.027 1.973 -6.124 369 H GLY 49 H GLY 49 3.950 1.861 -4.225 370 1HA GLY 49 2HA GLY 49 3.038 0.366 -2.221 371 2HA GLY 49 1HA GLY 49 4.597 1.157 -2.100 372 H CYS 50 H CYS 50 3.826 3.857 -1.635 373 HA CYS 50 HA CYS 50 3.191 3.712 1.121 374 1HB CYS 50 2HB CYS 50 3.121 6.161 -0.653 375 2HB CYS 50 1HB CYS 50 3.335 6.130 1.087 376 H ALA 51 H ALA 51 1.435 4.663 -1.797 377 HA ALA 51 HA ALA 51 -0.881 5.599 -0.431 378 1HB ALA 51 1HB ALA 51 -0.239 6.394 -2.644 379 2HB ALA 51 2HB ALA 51 -1.878 5.747 -2.636 380 3HB ALA 51 3HB ALA 51 -0.556 4.794 -3.312 381 H ILE 52 H ILE 52 0.214 2.452 -1.061 382 HA ILE 52 HA ILE 52 -2.183 1.059 -1.444 383 HB ILE 52 HB ILE 52 0.317 0.216 0.031 384 1HG1 ILE 52 2HG1 ILE 52 -0.742 -0.407 -2.733 385 2HG1 ILE 52 1HG1 ILE 52 0.624 0.638 -2.353 386 1HG2 ILE 52 1HG2 ILE 52 -1.549 -1.096 0.869 387 2HG2 ILE 52 2HG2 ILE 52 -0.509 -2.091 -0.151 388 3HG2 ILE 52 3HG2 ILE 52 -2.040 -1.484 -0.780 389 1HD1 ILE 52 1HD1 ILE 52 1.381 -1.520 -3.140 390 2HD1 ILE 52 2HD1 ILE 52 0.462 -2.329 -1.869 391 3HD1 ILE 52 3HD1 ILE 52 1.827 -1.294 -1.448 392 H ASN 53 H ASN 53 -0.705 2.375 1.472 393 HA ASN 53 HA ASN 53 -3.289 1.963 2.806 394 1HB ASN 53 2HB ASN 53 -1.579 0.229 3.572 395 2HB ASN 53 1HB ASN 53 -0.680 1.568 4.277 396 1HD2 ASN 53 1HD2 ASN 53 -1.791 -0.640 5.678 397 2HD2 ASN 53 2HD2 ASN 53 -2.964 -0.017 6.784 398 H CYS 54 H CYS 54 -3.668 4.128 2.296 399 HA CYS 54 HA CYS 54 -1.891 6.080 3.563 400 1HB CYS 54 2HB CYS 54 -3.131 7.740 2.174 401 2HB CYS 54 1HB CYS 54 -2.322 6.501 1.221 402 H LEU 55 H LEU 55 -5.296 5.119 3.384 403 HA LEU 55 HA LEU 55 -6.353 7.207 4.909 404 1HB LEU 55 2HB LEU 55 -7.730 5.806 3.492 405 2HB LEU 55 1HB LEU 55 -7.385 4.408 4.492 406 HG LEU 55 HG LEU 55 -8.584 5.457 6.369 407 1HD1 LEU 55 1HD1 LEU 55 -9.234 7.617 4.372 408 2HD1 LEU 55 2HD1 LEU 55 -8.209 7.792 5.798 409 3HD1 LEU 55 3HD1 LEU 55 -9.931 7.457 5.985 410 1HD2 LEU 55 1HD2 LEU 55 -10.175 5.307 3.814 411 2HD2 LEU 55 2HD2 LEU 55 -10.834 5.231 5.448 412 3HD2 LEU 55 3HD2 LEU 55 -9.768 3.951 4.865 413 H ALA 56 H ALA 56 -5.575 3.874 5.971 414 HA ALA 56 HA ALA 56 -6.418 4.543 8.648 415 1HB ALA 56 1HB ALA 56 -5.185 2.005 7.584 416 2HB ALA 56 2HB ALA 56 -6.911 2.343 7.700 417 3HB ALA 56 3HB ALA 56 -5.941 2.208 9.166 418 H THR 57 H THR 57 -3.519 4.599 6.876 419 HA THR 57 HA THR 57 -1.735 4.399 9.087 420 HB THR 57 HB THR 57 -1.305 5.569 6.339 421 HG1 THR 57 1HG THR 57 -0.951 3.568 5.752 422 1HG2 THR 57 1HG2 THR 57 0.553 4.998 8.594 423 2HG2 THR 57 2HG2 THR 57 0.386 6.491 7.677 424 3HG2 THR 57 3HG2 THR 57 1.124 5.071 6.930 425 H LYS 58 H LYS 58 -3.439 7.025 7.464 426 HA LYS 58 HA LYS 58 -2.110 9.045 9.035 427 1HB LYS 58 2HB LYS 58 -4.644 9.306 7.410 428 2HB LYS 58 1HB LYS 58 -3.653 10.621 8.017 429 1HG LYS 58 2HG LYS 58 -2.767 8.594 5.970 430 2HG LYS 58 1HG LYS 58 -3.373 10.205 5.599 431 1HD LYS 58 2HD LYS 58 -0.742 9.378 6.765 432 2HD LYS 58 1HD LYS 58 -1.105 10.534 5.492 433 1HE LYS 58 2HE LYS 58 -2.018 12.086 7.157 434 2HE LYS 58 1HE LYS 58 -1.615 10.941 8.435 435 1HZ LYS 58 1HZ LYS 58 0.332 12.231 6.596 436 2HZ LYS 58 2HZ LYS 58 0.719 11.160 7.853 437 3HZ LYS 58 3HZ LYS 58 0.054 12.679 8.211 438 H LEU 59 H LEU 59 -5.011 7.103 9.328 439 HA LEU 59 HA LEU 59 -6.144 8.515 11.478 440 1HB LEU 59 2HB LEU 59 -6.394 5.766 10.398 441 2HB LEU 59 1HB LEU 59 -6.893 6.004 12.061 442 HG LEU 59 HG LEU 59 -8.779 6.162 10.521 443 1HD1 LEU 59 1HD1 LEU 59 -8.058 8.780 11.826 444 2HD1 LEU 59 2HD1 LEU 59 -8.842 7.405 12.604 445 3HD1 LEU 59 3HD1 LEU 59 -9.677 8.289 11.326 446 1HD2 LEU 59 1HD2 LEU 59 -7.345 8.551 9.374 447 2HD2 LEU 59 2HD2 LEU 59 -8.988 8.042 8.982 448 3HD2 LEU 59 3HD2 LEU 59 -7.620 7.014 8.554 449 H ASP 60 H ASP 60 -4.140 5.513 11.626 450 HA ASP 60 HA ASP 60 -2.583 6.371 13.791 451 1HB ASP 60 2HB ASP 60 -4.748 6.339 15.014 452 2HB ASP 60 1HB ASP 60 -4.898 4.622 14.655 453 H VAL 61 H VAL 61 -0.834 5.189 13.478 454 HA VAL 61 HA VAL 61 -0.877 2.331 13.527 455 HB VAL 61 HB VAL 61 -1.630 2.827 11.185 456 1HG1 VAL 61 1HG1 VAL 61 -0.408 4.883 10.832 457 2HG1 VAL 61 2HG1 VAL 61 -0.005 3.705 9.583 458 3HG1 VAL 61 3HG1 VAL 61 1.124 4.010 10.904 459 1HG2 VAL 61 1HG2 VAL 61 1.083 1.592 11.010 460 2HG2 VAL 61 2HG2 VAL 61 -0.409 1.131 10.188 461 3HG2 VAL 61 3HG2 VAL 61 -0.208 0.793 11.908 462 H VAL 62 H VAL 62 0.349 4.484 14.949 463 HA VAL 62 HA VAL 62 3.153 4.283 14.116 464 HB VAL 62 HB VAL 62 3.560 6.417 15.280 465 1HG1 VAL 62 1HG1 VAL 62 2.459 7.866 13.654 466 2HG1 VAL 62 2HG1 VAL 62 1.371 6.548 13.216 467 3HG1 VAL 62 3HG1 VAL 62 3.099 6.409 12.892 468 1HG2 VAL 62 1HG2 VAL 62 1.798 6.373 16.938 469 2HG2 VAL 62 2HG2 VAL 62 0.568 6.445 15.675 470 3HG2 VAL 62 3HG2 VAL 62 1.637 7.821 15.945 471 H ASP 63 H ASP 63 4.387 3.016 15.380 472 HA ASP 63 HA ASP 63 3.558 2.252 17.997 473 1HB ASP 63 2HB ASP 63 5.222 1.100 16.187 474 2HB ASP 63 1HB ASP 63 6.394 1.830 17.281 475 HA PRO 64 HA PRO 64 6.955 5.042 19.655 476 1HB PRO 64 2HB PRO 64 8.784 6.106 17.828 477 2HB PRO 64 1HB PRO 64 8.954 4.567 18.675 478 1HG PRO 64 2HG PRO 64 8.634 4.919 15.903 479 2HG PRO 64 1HG PRO 64 8.499 3.390 16.790 480 1HD PRO 64 2HD PRO 64 6.344 5.285 15.926 481 2HD PRO 64 1HD PRO 64 6.340 3.510 15.922 482 H ASP 65 H ASP 65 8.366 7.386 18.615 483 HA ASP 65 HA ASP 65 6.353 9.333 19.188 484 1HB ASP 65 2HB ASP 65 9.292 9.373 18.682 485 2HB ASP 65 1HB ASP 65 8.403 10.887 18.593 486 H GLY 66 H GLY 66 6.567 7.797 16.444 487 1HA GLY 66 2HA GLY 66 5.101 8.986 14.714 488 2HA GLY 66 1HA GLY 66 6.381 10.187 14.731 489 H ASN 67 H ASN 67 8.577 9.315 14.359 490 HA ASN 67 HA ASN 67 8.697 7.916 11.892 491 1HB ASN 67 2HB ASN 67 11.185 8.044 12.315 492 2HB ASN 67 1HB ASN 67 10.351 9.596 12.363 493 1HD2 ASN 67 1HD2 ASN 67 12.103 7.227 14.179 494 2HD2 ASN 67 2HD2 ASN 67 12.232 8.141 15.649 495 H LEU 68 H LEU 68 9.514 5.860 11.459 496 HA LEU 68 HA LEU 68 10.163 3.715 11.758 497 1HB LEU 68 2HB LEU 68 11.014 4.877 14.374 498 2HB LEU 68 1HB LEU 68 11.072 3.141 14.142 499 HG LEU 68 HG LEU 68 13.246 4.026 13.702 500 1HD1 LEU 68 1HD1 LEU 68 12.406 2.227 12.232 501 2HD1 LEU 68 2HD1 LEU 68 13.645 3.230 11.478 502 3HD1 LEU 68 3HD1 LEU 68 11.948 3.450 11.048 503 1HD2 LEU 68 1HD2 LEU 68 11.939 5.872 11.710 504 2HD2 LEU 68 2HD2 LEU 68 13.673 5.705 11.983 505 3HD2 LEU 68 3HD2 LEU 68 12.638 6.341 13.260 506 H HIS 69 H HIS 69 7.379 4.535 12.332 507 HA HIS 69 HA HIS 69 6.458 2.827 14.404 508 1HB HIS 69 2HB HIS 69 4.195 3.226 13.440 509 2HB HIS 69 1HB HIS 69 5.083 4.696 13.801 510 HD1 HIS 69 1HD HIS 69 3.392 2.888 11.082 511 HD2 HIS 69 2HD HIS 69 5.956 6.133 11.459 512 HE1 HIS 69 1HE HIS 69 3.240 4.122 8.900 513 HE2 HIS 69 2HE HIS 69 4.570 6.228 9.275 514 H HIS 70 H HIS 70 7.741 0.976 13.747 515 HA HIS 70 HA HIS 70 6.816 -0.534 11.441 516 1HB HIS 70 2HB HIS 70 9.231 -0.396 12.078 517 2HB HIS 70 1HB HIS 70 8.857 -1.282 13.549 518 HD1 HIS 70 1HD HIS 70 10.829 -2.258 11.273 519 HD2 HIS 70 2HD HIS 70 6.896 -3.486 11.785 520 HE1 HIS 70 1HE HIS 70 10.697 -4.537 10.229 521 HE2 HIS 70 2HE HIS 70 8.404 -5.373 10.859 522 H GLY 71 H GLY 71 6.828 -0.844 14.983 523 1HA GLY 71 2HA GLY 71 5.878 -3.464 15.186 524 2HA GLY 71 1HA GLY 71 5.695 -2.228 16.412 525 H ASN 72 H ASN 72 3.994 -0.513 15.648 526 HA ASN 72 HA ASN 72 1.513 -1.816 15.785 527 1HB ASN 72 2HB ASN 72 2.396 0.993 15.563 528 2HB ASN 72 1HB ASN 72 0.754 0.660 15.017 529 1HD2 ASN 72 1HD2 ASN 72 1.578 2.224 17.299 530 2HD2 ASN 72 2HD2 ASN 72 0.874 1.468 18.687 531 H ALA 73 H ALA 73 3.369 -0.887 12.994 532 HA ALA 73 HA ALA 73 1.178 -0.803 11.172 533 1HB ALA 73 1HB ALA 73 3.295 0.318 10.681 534 2HB ALA 73 2HB ALA 73 2.883 -0.850 9.425 535 3HB ALA 73 3HB ALA 73 4.113 -1.242 10.627 536 H LYS 74 H LYS 74 3.431 -3.271 12.278 537 HA LYS 74 HA LYS 74 2.404 -5.254 10.488 538 1HB LYS 74 2HB LYS 74 4.393 -5.253 12.709 539 2HB LYS 74 1HB LYS 74 3.755 -6.781 12.109 540 1HG LYS 74 2HG LYS 74 5.207 -4.678 10.521 541 2HG LYS 74 1HG LYS 74 5.790 -6.284 10.957 542 1HD LYS 74 2HD LYS 74 3.253 -5.976 9.421 543 2HD LYS 74 1HD LYS 74 4.802 -5.869 8.583 544 1HE LYS 74 2HE LYS 74 3.801 -8.144 8.534 545 2HE LYS 74 1HE LYS 74 5.399 -8.094 9.265 546 1HZ LYS 74 1HZ LYS 74 2.864 -8.128 10.814 547 2HZ LYS 74 2HZ LYS 74 4.437 -8.269 11.433 548 3HZ LYS 74 3HZ LYS 74 3.791 -9.500 10.472 549 H ASP 75 H ASP 75 1.901 -4.318 13.829 550 HA ASP 75 HA ASP 75 0.214 -6.459 14.556 551 1HB ASP 75 2HB ASP 75 1.096 -4.974 16.257 552 2HB ASP 75 1HB ASP 75 0.290 -3.590 15.523 553 H PHE 76 H PHE 76 -0.405 -3.331 13.035 554 HA PHE 76 HA PHE 76 -3.211 -3.496 12.970 555 1HB PHE 76 2HB PHE 76 -1.952 -1.402 12.620 556 2HB PHE 76 1HB PHE 76 -1.356 -2.024 11.086 557 HD1 PHE 76 1HD PHE 76 -2.556 -1.657 9.129 558 HD2 PHE 76 2HD PHE 76 -4.485 -1.159 12.890 559 HE1 PHE 76 1HE PHE 76 -4.533 -0.739 7.990 560 HE2 PHE 76 2HE PHE 76 -6.463 -0.237 11.756 561 HZ PHE 76 HZ PHE 76 -6.487 -0.026 9.304 562 H ALA 77 H ALA 77 -0.720 -4.574 10.730 563 HA ALA 77 HA ALA 77 -2.477 -5.282 8.614 564 1HB ALA 77 1HB ALA 77 -0.460 -6.696 7.901 565 2HB ALA 77 2HB ALA 77 0.364 -5.972 9.281 566 3HB ALA 77 3HB ALA 77 -0.255 -4.949 7.983 567 H MET 78 H MET 78 -1.247 -6.991 11.414 568 HA MET 78 HA MET 78 -2.101 -9.564 10.524 569 1HB MET 78 2HB MET 78 -1.263 -8.574 13.246 570 2HB MET 78 1HB MET 78 -1.692 -10.247 12.916 571 1HG MET 78 2HG MET 78 0.108 -10.329 11.223 572 2HG MET 78 1HG MET 78 0.569 -8.692 11.687 573 1HE MET 78 1HE MET 78 1.426 -8.056 14.147 574 2HE MET 78 2HE MET 78 1.649 -9.243 15.434 575 3HE MET 78 3HE MET 78 0.026 -8.852 14.866 576 H LYS 79 H LYS 79 -3.622 -7.021 12.455 577 HA LYS 79 HA LYS 79 -5.859 -8.825 12.937 578 1HB LYS 79 2HB LYS 79 -6.824 -6.762 14.126 579 2HB LYS 79 1HB LYS 79 -5.460 -7.590 14.861 580 1HG LYS 79 2HG LYS 79 -3.951 -5.900 14.155 581 2HG LYS 79 1HG LYS 79 -5.179 -5.148 13.137 582 1HD LYS 79 2HD LYS 79 -4.813 -3.923 15.245 583 2HD LYS 79 1HD LYS 79 -6.465 -4.517 15.082 584 1HE LYS 79 2HE LYS 79 -5.681 -4.867 17.341 585 2HE LYS 79 1HE LYS 79 -5.902 -6.419 16.536 586 1HZ LYS 79 1HZ LYS 79 -3.275 -5.049 16.744 587 2HZ LYS 79 2HZ LYS 79 -3.576 -6.648 16.266 588 3HZ LYS 79 3HZ LYS 79 -3.825 -6.186 17.874 589 H HIS 80 H HIS 80 -4.915 -6.545 10.583 590 HA HIS 80 HA HIS 80 -7.620 -6.677 9.469 591 1HB HIS 80 2HB HIS 80 -5.992 -4.130 9.405 592 2HB HIS 80 1HB HIS 80 -7.634 -4.362 8.826 593 HD1 HIS 80 1HD HIS 80 -9.531 -4.212 10.534 594 HD2 HIS 80 2HD HIS 80 -5.734 -3.820 12.181 595 HE1 HIS 80 1HE HIS 80 -9.888 -3.387 12.885 596 HE2 HIS 80 2HE HIS 80 -7.588 -3.327 13.914 597 H GLY 81 H GLY 81 -6.850 -8.222 7.967 598 1HA GLY 81 2HA GLY 81 -6.495 -7.774 5.483 599 2HA GLY 81 1HA GLY 81 -4.947 -7.120 5.996 600 H ALA 82 H ALA 82 -3.521 -8.644 7.210 601 HA ALA 82 HA ALA 82 -3.715 -11.307 5.969 602 1HB ALA 82 1HB ALA 82 -1.207 -10.177 7.169 603 2HB ALA 82 2HB ALA 82 -1.705 -9.766 5.525 604 3HB ALA 82 3HB ALA 82 -1.386 -11.446 5.955 605 H ASP 83 H ASP 83 -3.476 -13.149 7.217 606 HA ASP 83 HA ASP 83 -3.752 -12.761 10.071 607 1HB ASP 83 2HB ASP 83 -4.015 -15.199 10.238 608 2HB ASP 83 1HB ASP 83 -5.203 -14.422 9.208 609 H GLU 84 H GLU 84 -2.585 -14.624 11.325 610 HA GLU 84 HA GLU 84 -0.231 -13.370 11.804 611 1HB GLU 84 2HB GLU 84 -1.778 -15.414 12.921 612 2HB GLU 84 1HB GLU 84 -0.169 -16.094 12.739 613 1HG GLU 84 2HG GLU 84 0.133 -13.514 13.836 614 2HG GLU 84 1HG GLU 84 -1.163 -14.331 14.708 615 H THR 85 H THR 85 -0.721 -16.504 10.221 616 HA THR 85 HA THR 85 1.991 -17.152 10.020 617 HB THR 85 HB THR 85 0.194 -18.821 9.808 618 HG1 THR 85 1HG THR 85 1.274 -19.489 7.498 619 1HG2 THR 85 1HG2 THR 85 -1.320 -17.472 8.376 620 2HG2 THR 85 2HG2 THR 85 -1.025 -19.101 7.747 621 3HG2 THR 85 3HG2 THR 85 -0.199 -17.718 7.028 622 H MET 86 H MET 86 -0.049 -15.118 7.976 623 HA MET 86 HA MET 86 1.700 -15.367 5.692 624 1HB MET 86 2HB MET 86 -0.563 -13.413 6.130 625 2HB MET 86 1HB MET 86 0.198 -13.813 4.597 626 1HG MET 86 2HG MET 86 -0.627 -16.118 4.834 627 2HG MET 86 1HG MET 86 -1.441 -15.638 6.323 628 1HE MET 86 1HE MET 86 -2.519 -14.078 2.113 629 2HE MET 86 2HE MET 86 -1.336 -15.347 2.426 630 3HE MET 86 3HE MET 86 -1.000 -13.687 2.920 631 H ALA 87 H ALA 87 0.955 -13.044 8.199 632 HA ALA 87 HA ALA 87 2.665 -10.984 7.338 633 1HB ALA 87 1HB ALA 87 1.414 -11.762 9.930 634 2HB ALA 87 2HB ALA 87 1.156 -10.316 8.952 635 3HB ALA 87 3HB ALA 87 2.634 -10.489 9.902 636 H GLN 88 H GLN 88 3.142 -13.959 9.079 637 HA GLN 88 HA GLN 88 5.859 -13.329 9.863 638 1HB GLN 88 2HB GLN 88 3.943 -15.511 10.364 639 2HB GLN 88 1HB GLN 88 5.638 -15.980 10.345 640 1HG GLN 88 2HG GLN 88 4.679 -15.354 12.591 641 2HG GLN 88 1HG GLN 88 6.173 -14.548 12.127 642 1HE2 GLN 88 1HE2 GLN 88 2.779 -14.163 12.753 643 2HE2 GLN 88 2HE2 GLN 88 2.783 -12.431 12.754 644 H GLN 89 H GLN 89 4.332 -14.822 7.160 645 HA GLN 89 HA GLN 89 6.786 -15.961 6.167 646 1HB GLN 89 2HB GLN 89 4.315 -15.265 4.535 647 2HB GLN 89 1HB GLN 89 5.633 -16.320 4.060 648 1HG GLN 89 2HG GLN 89 3.658 -16.833 6.265 649 2HG GLN 89 1HG GLN 89 3.658 -17.575 4.669 650 1HE2 GLN 89 1HE2 GLN 89 3.811 -18.771 7.317 651 2HE2 GLN 89 2HE2 GLN 89 5.257 -19.726 7.325 652 H LEU 90 H LEU 90 5.266 -12.887 6.281 653 HA LEU 90 HA LEU 90 6.750 -11.792 4.057 654 1HB LEU 90 2HB LEU 90 4.450 -11.056 4.493 655 2HB LEU 90 1HB LEU 90 4.928 -10.481 6.076 656 HG LEU 90 HG LEU 90 6.509 -8.890 4.848 657 1HD1 LEU 90 1HD1 LEU 90 4.664 -9.303 2.519 658 2HD1 LEU 90 2HD1 LEU 90 6.179 -10.200 2.660 659 3HD1 LEU 90 3HD1 LEU 90 6.204 -8.439 2.587 660 1HD2 LEU 90 1HD2 LEU 90 4.462 -8.177 5.967 661 2HD2 LEU 90 2HD2 LEU 90 3.531 -8.565 4.520 662 3HD2 LEU 90 3HD2 LEU 90 4.726 -7.268 4.478 663 H VAL 91 H VAL 91 6.728 -11.538 7.593 664 HA VAL 91 HA VAL 91 8.514 -9.419 7.865 665 HB VAL 91 HB VAL 91 9.058 -10.459 10.143 666 1HG1 VAL 91 1HG1 VAL 91 6.709 -9.923 10.964 667 2HG1 VAL 91 2HG1 VAL 91 6.307 -9.645 9.267 668 3HG1 VAL 91 3HG1 VAL 91 7.548 -8.664 10.050 669 1HG2 VAL 91 1HG2 VAL 91 8.031 -12.754 9.155 670 2HG2 VAL 91 2HG2 VAL 91 6.609 -12.078 9.937 671 3HG2 VAL 91 3HG2 VAL 91 8.079 -12.354 10.867 672 H ASP 92 H ASP 92 9.153 -12.751 7.200 673 HA ASP 92 HA ASP 92 11.864 -12.788 8.023 674 1HB ASP 92 2HB ASP 92 10.814 -14.879 7.884 675 2HB ASP 92 1HB ASP 92 10.139 -14.551 6.295 676 H ILE 93 H ILE 93 10.226 -12.274 4.934 677 HA ILE 93 HA ILE 93 12.571 -11.800 3.417 678 HB ILE 93 HB ILE 93 9.662 -11.250 2.994 679 1HG1 ILE 93 2HG1 ILE 93 10.021 -12.604 0.980 680 2HG1 ILE 93 1HG1 ILE 93 11.743 -12.679 1.337 681 1HG2 ILE 93 1HG2 ILE 93 10.872 -9.222 2.239 682 2HG2 ILE 93 2HG2 ILE 93 10.035 -10.081 0.945 683 3HG2 ILE 93 3HG2 ILE 93 11.784 -10.236 1.122 684 1HD1 ILE 93 1HD1 ILE 93 11.239 -13.913 3.396 685 2HD1 ILE 93 2HD1 ILE 93 10.645 -14.740 1.956 686 3HD1 ILE 93 3HD1 ILE 93 9.523 -13.858 2.992 687 H ILE 94 H ILE 94 10.343 -9.704 5.207 688 HA ILE 94 HA ILE 94 11.300 -7.225 4.370 689 HB ILE 94 HB ILE 94 10.434 -7.809 7.204 690 1HG1 ILE 94 2HG1 ILE 94 8.755 -7.157 4.771 691 2HG1 ILE 94 1HG1 ILE 94 8.757 -8.669 5.675 692 1HG2 ILE 94 1HG2 ILE 94 11.487 -5.610 6.771 693 2HG2 ILE 94 2HG2 ILE 94 9.796 -5.479 7.252 694 3HG2 ILE 94 3HG2 ILE 94 10.249 -5.286 5.559 695 1HD1 ILE 94 1HD1 ILE 94 7.954 -6.013 6.811 696 2HD1 ILE 94 2HD1 ILE 94 7.820 -7.586 7.596 697 3HD1 ILE 94 3HD1 ILE 94 6.831 -7.217 6.182 698 H HIS 95 H HIS 95 12.415 -9.295 7.018 699 HA HIS 95 HA HIS 95 14.330 -7.395 7.938 700 1HB HIS 95 2HB HIS 95 14.190 -10.376 8.475 701 2HB HIS 95 1HB HIS 95 15.204 -9.231 9.337 702 HD1 HIS 95 1HD HIS 95 13.053 -11.018 10.704 703 HD2 HIS 95 2HD HIS 95 12.488 -7.065 9.543 704 HE1 HIS 95 1HE HIS 95 11.228 -10.128 12.192 705 HE2 HIS 95 2HE HIS 95 11.089 -7.672 11.642 706 H GLY 96 H GLY 96 14.441 -10.097 5.667 707 1HA GLY 96 2HA GLY 96 17.340 -10.100 5.664 708 2HA GLY 96 1HA GLY 96 16.292 -11.139 4.710 709 H CYS 97 H CYS 97 14.765 -9.332 3.350 710 HA CYS 97 HA CYS 97 16.611 -8.617 1.334 711 1HB CYS 97 2HB CYS 97 13.667 -7.988 1.458 712 2HB CYS 97 1HB CYS 97 14.695 -7.963 0.030 713 H GLU 98 H GLU 98 14.682 -6.720 3.681 714 HA GLU 98 HA GLU 98 15.509 -4.199 2.693 715 1HB GLU 98 2HB GLU 98 13.611 -4.614 4.325 716 2HB GLU 98 1HB GLU 98 14.831 -4.799 5.577 717 1HG GLU 98 2HG GLU 98 15.611 -2.510 5.115 718 2HG GLU 98 1HG GLU 98 14.327 -2.337 3.922 719 H LYS 99 H LYS 99 16.947 -6.414 5.084 720 HA LYS 99 HA LYS 99 19.046 -4.704 5.857 721 1HB LYS 99 2HB LYS 99 18.511 -6.710 7.116 722 2HB LYS 99 1HB LYS 99 18.922 -7.723 5.741 723 1HG LYS 99 2HG LYS 99 20.693 -7.784 7.367 724 2HG LYS 99 1HG LYS 99 21.245 -6.971 5.902 725 1HD LYS 99 2HD LYS 99 20.897 -4.801 6.969 726 2HD LYS 99 1HD LYS 99 20.323 -5.609 8.430 727 1HE LYS 99 2HE LYS 99 23.075 -5.904 7.230 728 2HE LYS 99 1HE LYS 99 22.669 -4.891 8.614 729 1HZ LYS 99 1HZ LYS 99 22.369 -7.848 8.491 730 2HZ LYS 99 2HZ LYS 99 21.988 -6.866 9.822 731 3HZ LYS 99 3HZ LYS 99 23.599 -7.009 9.307 732 H SER 100 H SER 100 18.621 -6.798 3.084 733 HA SER 100 HA SER 100 21.373 -6.313 2.214 734 1HB SER 100 2HB SER 100 19.304 -8.061 0.876 735 2HB SER 100 1HB SER 100 21.051 -8.095 0.654 736 HG SER 100 HG SER 100 19.529 -8.949 2.881 737 H ALA 101 H ALA 101 18.749 -4.547 2.071 738 HA ALA 101 HA ALA 101 18.433 -4.115 -0.754 739 1HB ALA 101 1HB ALA 101 17.368 -2.545 1.595 740 2HB ALA 101 2HB ALA 101 16.529 -3.844 0.741 741 3HB ALA 101 3HB ALA 101 16.888 -2.328 -0.090 742 HA PRO 102 HA PRO 102 21.442 -0.981 -1.633 743 1HB PRO 102 2HB PRO 102 19.141 0.658 -2.596 744 2HB PRO 102 1HB PRO 102 20.652 0.250 -3.418 745 1HG PRO 102 2HG PRO 102 18.385 -0.967 -4.085 746 2HG PRO 102 1HG PRO 102 19.912 -1.866 -4.012 747 1HD PRO 102 2HD PRO 102 17.630 -1.844 -2.088 748 2HD PRO 102 1HD PRO 102 18.694 -3.184 -2.565 749 HA PRO 103 HA PRO 103 21.125 1.677 1.928 750 1HB PRO 103 2HB PRO 103 23.470 3.058 0.835 751 2HB PRO 103 1HB PRO 103 23.323 2.103 2.312 752 1HG PRO 103 2HG PRO 103 24.715 1.221 0.191 753 2HG PRO 103 1HG PRO 103 23.796 0.118 1.234 754 1HD PRO 103 2HD PRO 103 23.048 1.257 -1.439 755 2HD PRO 103 1HD PRO 103 22.881 -0.409 -0.841 756 H ASN 104 H ASN 104 19.599 2.439 -0.463 757 HA ASN 104 HA ASN 104 20.000 5.339 -0.590 758 1HB ASN 104 2HB ASN 104 19.662 4.109 -2.713 759 2HB ASN 104 1HB ASN 104 18.093 3.562 -2.134 760 1HD2 ASN 104 1HD2 ASN 104 16.973 4.530 -3.794 761 2HD2 ASN 104 2HD2 ASN 104 16.783 6.252 -3.907 762 H ASP 105 H ASP 105 18.871 6.616 0.728 763 HA ASP 105 HA ASP 105 16.916 5.445 2.476 764 1HB ASP 105 2HB ASP 105 18.513 7.111 3.320 765 2HB ASP 105 1HB ASP 105 17.815 8.325 2.252 766 H ASP 106 H ASP 106 15.140 4.893 1.247 767 HA ASP 106 HA ASP 106 13.368 7.180 0.935 768 1HB ASP 106 2HB ASP 106 14.134 6.664 -1.358 769 2HB ASP 106 1HB ASP 106 13.536 5.017 -1.169 770 H LYS 107 H LYS 107 11.788 6.887 2.188 771 HA LYS 107 HA LYS 107 10.951 5.022 3.812 772 1HB LYS 107 2HB LYS 107 9.809 7.168 3.441 773 2HB LYS 107 1HB LYS 107 9.037 6.499 2.010 774 1HG LYS 107 2HG LYS 107 8.032 4.747 3.525 775 2HG LYS 107 1HG LYS 107 8.609 5.721 4.878 776 1HD LYS 107 2HD LYS 107 6.763 6.703 2.702 777 2HD LYS 107 1HD LYS 107 6.238 6.152 4.290 778 1HE LYS 107 2HE LYS 107 6.293 8.485 4.458 779 2HE LYS 107 1HE LYS 107 7.777 7.951 5.239 780 1HZ LYS 107 1HZ LYS 107 7.964 9.895 3.672 781 2HZ LYS 107 2HZ LYS 107 7.697 8.802 2.400 782 3HZ LYS 107 3HZ LYS 107 9.049 8.625 3.404 783 H CYS 108 H CYS 108 9.223 5.008 0.650 784 HA CYS 108 HA CYS 108 8.481 2.272 1.229 785 1HB CYS 108 2HB CYS 108 7.604 4.139 -0.967 786 2HB CYS 108 1HB CYS 108 7.017 2.497 -0.764 787 H MET 109 H MET 109 10.941 3.783 -0.657 788 HA MET 109 HA MET 109 11.014 1.981 -2.827 789 1HB MET 109 2HB MET 109 13.027 3.799 -1.594 790 2HB MET 109 1HB MET 109 13.575 2.589 -2.743 791 1HG MET 109 2HG MET 109 11.301 4.374 -3.467 792 2HG MET 109 1HG MET 109 12.947 4.995 -3.527 793 1HE MET 109 1HE MET 109 11.388 1.496 -6.133 794 2HE MET 109 2HE MET 109 10.376 2.422 -5.024 795 3HE MET 109 3HE MET 109 11.611 1.334 -4.392 796 H LYS 110 H LYS 110 12.553 1.908 0.349 797 HA LYS 110 HA LYS 110 14.011 -0.491 -0.076 798 1HB LYS 110 2HB LYS 110 14.025 -0.672 2.419 799 2HB LYS 110 1HB LYS 110 14.624 0.861 1.803 800 1HG LYS 110 2HG LYS 110 12.871 2.035 2.688 801 2HG LYS 110 1HG LYS 110 11.757 0.666 2.580 802 1HD LYS 110 2HD LYS 110 12.956 -0.441 4.391 803 2HD LYS 110 1HD LYS 110 14.040 0.946 4.533 804 1HE LYS 110 2HE LYS 110 12.594 1.912 5.916 805 2HE LYS 110 1HE LYS 110 11.360 1.881 4.655 806 1HZ LYS 110 1HZ LYS 110 11.793 -0.659 5.971 807 2HZ LYS 110 2HZ LYS 110 10.338 0.137 5.588 808 3HZ LYS 110 3HZ LYS 110 11.192 0.562 6.990 809 H THR 111 H THR 111 10.939 0.088 1.546 810 HA THR 111 HA THR 111 10.144 -2.521 1.948 811 HB THR 111 HB THR 111 9.120 0.017 2.379 812 HG1 THR 111 1HG THR 111 8.413 -2.620 3.062 813 1HG2 THR 111 1HG2 THR 111 7.675 -0.002 0.413 814 2HG2 THR 111 2HG2 THR 111 6.678 -0.299 1.837 815 3HG2 THR 111 3HG2 THR 111 7.136 -1.640 0.791 816 H ILE 112 H ILE 112 10.504 -0.976 -1.069 817 HA ILE 112 HA ILE 112 8.501 -2.653 -2.362 818 HB ILE 112 HB ILE 112 9.933 -0.241 -3.054 819 1HG1 ILE 112 2HG1 ILE 112 8.006 0.039 -4.593 820 2HG1 ILE 112 1HG1 ILE 112 7.494 -1.598 -4.201 821 1HG2 ILE 112 1HG2 ILE 112 9.770 -2.344 -5.208 822 2HG2 ILE 112 2HG2 ILE 112 11.249 -1.678 -4.516 823 3HG2 ILE 112 3HG2 ILE 112 10.174 -0.647 -5.461 824 1HD1 ILE 112 1HD1 ILE 112 7.776 0.610 -2.183 825 2HD1 ILE 112 2HD1 ILE 112 7.072 -0.988 -1.931 826 3HD1 ILE 112 3HD1 ILE 112 6.267 0.175 -2.985 827 H ASP 113 H ASP 113 11.969 -2.266 -2.010 828 HA ASP 113 HA ASP 113 12.842 -4.384 -3.599 829 1HB ASP 113 2HB ASP 113 13.952 -2.789 -1.400 830 2HB ASP 113 1HB ASP 113 14.598 -4.424 -1.489 831 H VAL 114 H VAL 114 11.574 -4.380 -0.283 832 HA VAL 114 HA VAL 114 12.150 -7.174 0.038 833 HB VAL 114 HB VAL 114 10.717 -7.052 2.079 834 1HG1 VAL 114 1HG1 VAL 114 12.808 -4.906 2.048 835 2HG1 VAL 114 2HG1 VAL 114 13.195 -6.626 2.016 836 3HG1 VAL 114 3HG1 VAL 114 12.329 -5.944 3.392 837 1HG2 VAL 114 1HG2 VAL 114 10.682 -4.149 1.482 838 2HG2 VAL 114 2HG2 VAL 114 10.014 -4.921 2.914 839 3HG2 VAL 114 3HG2 VAL 114 9.288 -5.205 1.326 840 H ALA 115 H ALA 115 9.328 -5.236 -0.828 841 HA ALA 115 HA ALA 115 7.395 -7.250 -0.685 842 1HB ALA 115 1HB ALA 115 7.089 -4.771 -0.991 843 2HB ALA 115 2HB ALA 115 6.006 -5.815 -1.915 844 3HB ALA 115 3HB ALA 115 7.377 -5.037 -2.711 845 H MET 116 H MET 116 9.240 -6.158 -3.560 846 HA MET 116 HA MET 116 8.198 -8.271 -5.136 847 1HB MET 116 2HB MET 116 9.870 -7.648 -6.840 848 2HB MET 116 1HB MET 116 8.902 -6.305 -6.283 849 1HG MET 116 2HG MET 116 11.128 -5.568 -6.613 850 2HG MET 116 1HG MET 116 10.801 -5.554 -4.889 851 1HE MET 116 1HE MET 116 13.520 -5.256 -4.675 852 2HE MET 116 2HE MET 116 13.699 -5.432 -6.421 853 3HE MET 116 3HE MET 116 14.663 -6.428 -5.333 854 H CYS 117 H CYS 117 10.828 -8.047 -2.948 855 HA CYS 117 HA CYS 117 12.299 -10.355 -3.709 856 1HB CYS 117 2HB CYS 117 13.024 -8.435 -2.232 857 2HB CYS 117 1HB CYS 117 12.051 -9.153 -0.956 858 H PHE 118 H PHE 118 9.381 -9.811 -2.041 859 HA PHE 118 HA PHE 118 9.403 -12.325 -0.633 860 1HB PHE 118 2HB PHE 118 8.290 -10.520 0.476 861 2HB PHE 118 1HB PHE 118 7.277 -10.191 -0.923 862 HD1 PHE 118 1HD PHE 118 8.028 -12.831 1.590 863 HD2 PHE 118 2HD PHE 118 5.162 -11.127 -1.055 864 HE1 PHE 118 1HE PHE 118 6.299 -14.321 2.508 865 HE2 PHE 118 2HE PHE 118 3.429 -12.614 -0.140 866 HZ PHE 118 HZ PHE 118 3.997 -14.213 1.644 867 H LYS 119 H LYS 119 7.708 -10.954 -3.466 868 HA LYS 119 HA LYS 119 6.304 -13.379 -3.972 869 1HB LYS 119 2HB LYS 119 5.512 -12.420 -5.919 870 2HB LYS 119 1HB LYS 119 5.858 -11.004 -4.945 871 1HG LYS 119 2HG LYS 119 8.222 -11.338 -6.224 872 2HG LYS 119 1HG LYS 119 7.087 -11.941 -7.436 873 1HD LYS 119 2HD LYS 119 5.872 -9.874 -7.398 874 2HD LYS 119 1HD LYS 119 6.855 -9.272 -6.059 875 1HE LYS 119 2HE LYS 119 7.745 -8.282 -8.015 876 2HE LYS 119 1HE LYS 119 8.857 -9.578 -7.549 877 1HZ LYS 119 1HZ LYS 119 7.831 -11.001 -9.219 878 2HZ LYS 119 2HZ LYS 119 8.442 -9.591 -9.929 879 3HZ LYS 119 3HZ LYS 119 6.773 -9.755 -9.668 880 H LYS 120 H LYS 120 9.529 -12.221 -4.791 881 HA LYS 120 HA LYS 120 10.287 -14.162 -6.643 882 1HB LYS 120 2HB LYS 120 11.657 -12.349 -4.847 883 2HB LYS 120 1HB LYS 120 12.499 -13.889 -4.948 884 1HG LYS 120 2HG LYS 120 13.494 -12.949 -6.723 885 2HG LYS 120 1HG LYS 120 12.013 -13.410 -7.566 886 1HD LYS 120 2HD LYS 120 12.544 -11.099 -8.041 887 2HD LYS 120 1HD LYS 120 11.073 -11.188 -7.067 888 1HE LYS 120 2HE LYS 120 12.352 -9.448 -6.117 889 2HE LYS 120 1HE LYS 120 12.550 -10.834 -5.049 890 1HZ LYS 120 1HZ LYS 120 14.670 -11.322 -6.189 891 2HZ LYS 120 2HZ LYS 120 14.673 -9.836 -5.380 892 3HZ LYS 120 3HZ LYS 120 14.510 -9.878 -7.066 893 H GLU 121 H GLU 121 10.677 -14.300 -3.083 894 HA GLU 121 HA GLU 121 11.594 -16.932 -3.013 895 1HB GLU 121 2HB GLU 121 11.434 -16.854 -0.707 896 2HB GLU 121 1HB GLU 121 11.567 -15.161 -1.141 897 1HG GLU 121 2HG GLU 121 9.800 -14.818 0.149 898 2HG GLU 121 1HG GLU 121 8.842 -15.621 -1.091 899 H ILE 122 H ILE 122 8.168 -15.849 -2.601 900 HA ILE 122 HA ILE 122 7.084 -18.362 -2.274 901 HB ILE 122 HB ILE 122 6.067 -15.878 -2.212 902 1HG1 ILE 122 2HG1 ILE 122 4.581 -18.441 -2.667 903 2HG1 ILE 122 1HG1 ILE 122 5.157 -17.844 -1.125 904 1HG2 ILE 122 1HG2 ILE 122 4.537 -16.906 -4.543 905 2HG2 ILE 122 2HG2 ILE 122 6.051 -16.052 -4.841 906 3HG2 ILE 122 3HG2 ILE 122 4.748 -15.253 -3.963 907 1HD1 ILE 122 1HD1 ILE 122 3.606 -15.969 -1.264 908 2HD1 ILE 122 2HD1 ILE 122 2.762 -17.515 -1.361 909 3HD1 ILE 122 3HD1 ILE 122 3.026 -16.561 -2.821 910 H HIS 123 H HIS 123 8.072 -16.676 -5.192 911 HA HIS 123 HA HIS 123 6.897 -18.513 -7.009 912 1HB HIS 123 2HB HIS 123 8.866 -16.312 -7.198 913 2HB HIS 123 1HB HIS 123 8.907 -17.517 -8.480 914 HD1 HIS 123 1HD HIS 123 7.815 -16.391 -10.388 915 HD2 HIS 123 2HD HIS 123 5.659 -15.946 -6.855 916 HE1 HIS 123 1HE HIS 123 5.686 -15.214 -11.037 917 HE2 HIS 123 2HE HIS 123 4.339 -15.066 -8.910 918 H LYS 124 H LYS 124 9.980 -18.527 -5.275 919 HA LYS 124 HA LYS 124 11.127 -20.616 -6.833 920 1HB LYS 124 2HB LYS 124 12.453 -19.052 -5.443 921 2HB LYS 124 1HB LYS 124 11.727 -19.734 -3.999 922 1HG LYS 124 2HG LYS 124 12.904 -21.820 -5.572 923 2HG LYS 124 1HG LYS 124 14.081 -20.536 -5.283 924 1HD LYS 124 2HD LYS 124 14.402 -21.720 -3.368 925 2HD LYS 124 1HD LYS 124 13.059 -20.706 -2.833 926 1HE LYS 124 2HE LYS 124 12.608 -22.965 -2.177 927 2HE LYS 124 1HE LYS 124 11.500 -22.527 -3.473 928 1HZ LYS 124 1HZ LYS 124 13.947 -24.193 -3.714 929 2HZ LYS 124 2HZ LYS 124 13.015 -23.679 -5.034 930 3HZ LYS 124 3HZ LYS 124 12.341 -24.716 -3.873 931 H LEU 125 H LEU 125 9.220 -20.436 -3.867 932 HA LEU 125 HA LEU 125 9.172 -23.226 -3.377 933 1HB LEU 125 2HB LEU 125 7.144 -21.117 -2.635 934 2HB LEU 125 1HB LEU 125 7.182 -22.747 -1.992 935 HG LEU 125 HG LEU 125 9.284 -20.621 -1.571 936 1HD1 LEU 125 1HD1 LEU 125 7.230 -20.229 -0.322 937 2HD1 LEU 125 2HD1 LEU 125 8.540 -20.715 0.754 938 3HD1 LEU 125 3HD1 LEU 125 7.292 -21.876 0.309 939 1HD2 LEU 125 1HD2 LEU 125 9.128 -23.440 -0.499 940 2HD2 LEU 125 2HD2 LEU 125 10.321 -22.224 -0.040 941 3HD2 LEU 125 3HD2 LEU 125 10.289 -22.847 -1.689 942 H ASN 126 H ASN 126 7.072 -21.107 -5.291 943 HA ASN 126 HA ASN 126 5.386 -21.488 -6.737 944 1HB ASN 126 2HB ASN 126 7.324 -22.599 -7.907 945 2HB ASN 126 1HB ASN 126 6.775 -24.130 -7.238 946 1HD2 ASN 126 1HD2 ASN 126 6.444 -24.993 -9.268 947 2HD2 ASN 126 2HD2 ASN 126 5.112 -24.525 -10.265 948 H TRP 127 H TRP 127 5.178 -24.845 -6.813 949 HA TRP 127 HA TRP 127 3.634 -25.027 -4.335 950 1HB TRP 127 2HB TRP 127 2.095 -26.641 -5.721 951 2HB TRP 127 1HB TRP 127 1.812 -24.904 -5.764 952 HD1 TRP 127 HD TRP 127 4.099 -27.262 -7.848 953 HE1 TRP 127 1HE TRP 127 3.782 -26.674 -10.320 954 HE3 TRP 127 3HE TRP 127 0.595 -23.570 -7.362 955 HZ2 TRP 127 2HZ TRP 127 2.228 -24.903 -11.877 956 HZ3 TRP 127 3HZ TRP 127 -0.260 -22.486 -9.396 957 HH2 TRP 127 HH TRP 127 0.542 -23.140 -11.607 958 H VAL 128 H VAL 128 3.986 -26.862 -3.214 959 HA VAL 128 HA VAL 128 5.020 -28.753 -2.521 960 HB VAL 128 HB VAL 128 5.085 -29.524 -5.448 961 1HG1 VAL 128 1HG1 VAL 128 5.261 -31.225 -2.963 962 2HG1 VAL 128 2HG1 VAL 128 6.585 -30.872 -4.072 963 3HG1 VAL 128 3HG1 VAL 128 5.202 -31.821 -4.620 964 1HG2 VAL 128 1HG2 VAL 128 3.001 -30.099 -3.343 965 2HG2 VAL 128 2HG2 VAL 128 3.012 -30.745 -4.984 966 3HG2 VAL 128 3HG2 VAL 128 2.816 -29.013 -4.720 967 HA PRO 129 HA PRO 129 9.198 -27.247 -3.594 968 1HB PRO 129 2HB PRO 129 9.810 -26.445 -1.029 969 2HB PRO 129 1HB PRO 129 9.117 -25.402 -2.270 970 1HG PRO 129 2HG PRO 129 7.892 -26.368 0.152 971 2HG PRO 129 1HG PRO 129 7.235 -25.238 -1.039 972 1HD PRO 129 2HD PRO 129 6.688 -28.095 -0.685 973 2HD PRO 129 1HD PRO 129 5.776 -26.879 -1.599 974 H ASN 130 H ASN 130 10.611 -28.866 -3.773 975 HA ASN 130 HA ASN 130 10.699 -30.902 -1.685 976 1HB ASN 130 2HB ASN 130 11.643 -30.832 -4.534 977 2HB ASN 130 1HB ASN 130 12.272 -32.037 -3.415 978 1HD2 ASN 130 1HD2 ASN 130 11.354 -33.746 -4.503 979 2HD2 ASN 130 2HD2 ASN 130 9.651 -34.044 -4.502 980 H MET 131 H MET 131 11.967 -30.367 -0.069 981 HA MET 131 HA MET 131 14.452 -28.943 -0.444 982 1HB MET 131 2HB MET 131 13.292 -30.249 2.032 983 2HB MET 131 1HB MET 131 14.674 -29.163 1.998 984 1HG MET 131 2HG MET 131 13.276 -27.342 1.258 985 2HG MET 131 1HG MET 131 11.885 -28.416 1.155 986 1HE MET 131 1HE MET 131 10.904 -26.167 4.169 987 2HE MET 131 2HE MET 131 10.394 -26.848 2.624 988 3HE MET 131 3HE MET 131 11.724 -25.691 2.681 989 H ASP 132 H ASP 132 16.519 -29.816 -0.245 990 HA ASP 132 HA ASP 132 16.637 -32.633 -0.933 991 1HB ASP 132 2HB ASP 132 17.993 -30.758 -2.068 992 2HB ASP 132 1HB ASP 132 19.014 -30.804 -0.635 993 H LEU 133 H LEU 133 17.113 -34.213 0.439 994 HA LEU 133 HA LEU 133 17.841 -33.579 3.164 995 1HB LEU 133 2HB LEU 133 16.193 -35.331 2.725 996 2HB LEU 133 1HB LEU 133 17.381 -36.237 1.807 997 HG LEU 133 HG LEU 133 18.723 -36.538 3.855 998 1HD1 LEU 133 1HD1 LEU 133 18.059 -34.529 5.044 999 2HD1 LEU 133 2HD1 LEU 133 17.745 -35.961 6.026 1000 3HD1 LEU 133 3HD1 LEU 133 16.414 -35.145 5.202 1001 1HD2 LEU 133 1HD2 LEU 133 15.842 -37.397 4.096 1002 2HD2 LEU 133 2HD2 LEU 133 17.204 -38.107 4.963 1003 3HD2 LEU 133 3HD2 LEU 133 17.109 -38.239 3.207 1004 H VAL 134 H VAL 134 19.892 -32.657 2.742 1005 HA VAL 134 HA VAL 134 21.999 -34.311 1.672 1006 HB VAL 134 HB VAL 134 22.211 -31.662 3.124 1007 1HG1 VAL 134 1HG1 VAL 134 24.394 -31.482 2.028 1008 2HG1 VAL 134 2HG1 VAL 134 24.179 -33.090 1.337 1009 3HG1 VAL 134 3HG1 VAL 134 24.314 -32.893 3.085 1010 1HG2 VAL 134 1HG2 VAL 134 22.055 -32.232 0.166 1011 2HG2 VAL 134 2HG2 VAL 134 22.378 -30.658 0.892 1012 3HG2 VAL 134 3HG2 VAL 134 20.818 -31.442 1.144 1013 H ILE 135 H ILE 135 23.548 -35.392 2.821 1014 HA ILE 135 HA ILE 135 23.536 -35.199 5.711 1015 HB ILE 135 HB ILE 135 23.674 -37.913 5.562 1016 1HG1 ILE 135 2HG1 ILE 135 21.629 -38.695 4.401 1017 2HG1 ILE 135 1HG1 ILE 135 21.430 -37.109 3.680 1018 1HG2 ILE 135 1HG2 ILE 135 21.260 -36.213 6.132 1019 2HG2 ILE 135 2HG2 ILE 135 22.546 -36.650 7.259 1020 3HG2 ILE 135 3HG2 ILE 135 21.466 -37.893 6.630 1021 1HD1 ILE 135 1HD1 ILE 135 23.582 -37.418 2.513 1022 2HD1 ILE 135 2HD1 ILE 135 22.394 -38.652 2.097 1023 3HD1 ILE 135 3HD1 ILE 135 23.703 -39.030 3.217 1024 H GLY 136 H GLY 136 25.564 -34.519 5.835 1025 1HA GLY 136 2HA GLY 136 27.681 -35.906 4.409 1026 2HA GLY 136 1HA GLY 136 27.865 -34.492 5.440 1027 H GLU 137 H GLU 137 29.572 -36.712 5.558 1028 HA GLU 137 HA GLU 137 28.770 -37.959 8.106 1029 1HB GLU 137 2HB GLU 137 30.267 -39.762 7.663 1030 2HB GLU 137 1HB GLU 137 29.322 -39.503 6.207 1031 1HG GLU 137 2HG GLU 137 31.288 -38.159 5.337 1032 2HG GLU 137 1HG GLU 137 32.203 -38.801 6.709 1033 H VAL 138 H VAL 138 30.288 -38.070 9.830 1034 HA VAL 138 HA VAL 138 32.349 -35.976 9.654 1035 HB VAL 138 HB VAL 138 32.058 -35.745 12.165 1036 1HG1 VAL 138 1HG1 VAL 138 31.255 -34.075 10.594 1037 2HG1 VAL 138 2HG1 VAL 138 30.133 -34.250 11.944 1038 3HG1 VAL 138 3HG1 VAL 138 29.754 -34.976 10.381 1039 1HG2 VAL 138 1HG2 VAL 138 30.817 -37.810 12.577 1040 2HG2 VAL 138 2HG2 VAL 138 29.482 -37.213 11.590 1041 3HG2 VAL 138 3HG2 VAL 138 29.892 -36.403 13.102 1042 H LEU 139 H LEU 139 34.207 -36.982 9.385 1043 HA LEU 139 HA LEU 139 34.800 -39.454 10.779 1044 1HB LEU 139 2HB LEU 139 37.007 -39.276 9.577 1045 2HB LEU 139 1HB LEU 139 35.595 -39.435 8.553 1046 HG LEU 139 HG LEU 139 36.729 -36.714 9.116 1047 1HD1 LEU 139 1HD1 LEU 139 38.153 -36.944 7.139 1048 2HD1 LEU 139 2HD1 LEU 139 37.709 -38.648 7.020 1049 3HD1 LEU 139 3HD1 LEU 139 38.625 -38.069 8.411 1050 1HD2 LEU 139 1HD2 LEU 139 35.299 -37.922 6.745 1051 2HD2 LEU 139 2HD2 LEU 139 35.814 -36.242 6.897 1052 3HD2 LEU 139 3HD2 LEU 139 34.573 -36.882 7.972 1053 H ALA 140 H ALA 140 35.167 -39.165 12.880 1054 HA ALA 140 HA ALA 140 36.674 -36.852 13.801 1055 1HB ALA 140 1HB ALA 140 36.060 -37.587 16.041 1056 2HB ALA 140 2HB ALA 140 35.354 -39.061 15.378 1057 3HB ALA 140 3HB ALA 140 34.640 -37.493 15.002 1058 H GLU 141 H GLU 141 38.806 -36.980 13.736 1059 HA GLU 141 HA GLU 141 40.194 -39.502 13.891 1060 1HB GLU 141 2HB GLU 141 41.198 -36.649 13.783 1061 2HB GLU 141 1HB GLU 141 42.235 -38.069 13.732 1062 1HG GLU 141 2HG GLU 141 40.057 -37.550 11.728 1063 2HG GLU 141 1HG GLU 141 41.719 -37.004 11.517 1064 H VAL 142 H VAL 142 40.596 -40.482 15.712 1065 HA VAL 142 HA VAL 142 40.607 -40.926 17.941 1066 HB VAL 142 HB VAL 142 42.579 -39.997 19.125 1067 1HG1 VAL 142 1HG1 VAL 142 43.065 -40.950 16.307 1068 2HG1 VAL 142 2HG1 VAL 142 42.777 -41.964 17.721 1069 3HG1 VAL 142 3HG1 VAL 142 44.242 -40.986 17.619 1070 1HG2 VAL 142 1HG2 VAL 142 44.172 -38.596 17.861 1071 2HG2 VAL 142 2HG2 VAL 142 42.668 -37.753 18.229 1072 3HG2 VAL 142 3HG2 VAL 142 42.953 -38.378 16.605 Start of MODEL 13 1 1H SER 1 1HT SER 1 -4.723 -17.265 -3.942 2 2H SER 1 2HT SER 1 -4.327 -15.643 -4.257 3 3H SER 1 3HT SER 1 -5.845 -16.245 -4.703 4 HA SER 1 HA SER 1 -6.511 -16.508 -2.467 5 1HB SER 1 2HB SER 1 -3.702 -15.596 -1.794 6 2HB SER 1 1HB SER 1 -4.994 -15.844 -0.619 7 HG SER 1 HG SER 1 -4.830 -17.966 -0.840 8 HA PRO 2 HA PRO 2 -7.391 -12.163 -3.564 9 1HB PRO 2 2HB PRO 2 -9.939 -12.279 -2.540 10 2HB PRO 2 1HB PRO 2 -9.518 -12.708 -4.199 11 1HG PRO 2 2HG PRO 2 -9.978 -14.482 -1.841 12 2HG PRO 2 1HG PRO 2 -10.457 -14.713 -3.533 13 1HD PRO 2 2HD PRO 2 -8.339 -15.982 -2.451 14 2HD PRO 2 1HD PRO 2 -8.372 -15.477 -4.152 15 H GLU 3 H GLU 3 -7.607 -13.962 -0.617 16 HA GLU 3 HA GLU 3 -8.265 -12.126 1.301 17 1HB GLU 3 2HB GLU 3 -6.154 -14.282 1.420 18 2HB GLU 3 1HB GLU 3 -6.709 -13.386 2.823 19 1HG GLU 3 2HG GLU 3 -7.794 -15.531 2.722 20 2HG GLU 3 1HG GLU 3 -8.972 -14.245 2.471 21 H ILE 4 H ILE 4 -4.828 -12.880 0.598 22 HA ILE 4 HA ILE 4 -4.026 -10.473 1.886 23 HB ILE 4 HB ILE 4 -2.739 -12.610 1.994 24 1HG1 ILE 4 2HG1 ILE 4 -0.498 -11.562 1.780 25 2HG1 ILE 4 1HG1 ILE 4 -1.238 -10.198 0.946 26 1HG2 ILE 4 1HG2 ILE 4 -2.001 -11.928 -0.846 27 2HG2 ILE 4 2HG2 ILE 4 -2.951 -13.314 -0.312 28 3HG2 ILE 4 3HG2 ILE 4 -1.249 -13.188 0.133 29 1HD1 ILE 4 1HD1 ILE 4 -2.568 -9.732 2.964 30 2HD1 ILE 4 2HD1 ILE 4 -0.830 -9.641 3.252 31 3HD1 ILE 4 3HD1 ILE 4 -1.740 -11.054 3.786 32 H MET 5 H MET 5 -4.987 -11.204 -1.261 33 HA MET 5 HA MET 5 -3.351 -9.280 -2.633 34 1HB MET 5 2HB MET 5 -5.657 -11.038 -3.386 35 2HB MET 5 1HB MET 5 -5.155 -9.740 -4.465 36 1HG MET 5 2HG MET 5 -3.370 -11.952 -3.469 37 2HG MET 5 1HG MET 5 -4.171 -11.923 -5.039 38 1HE MET 5 1HE MET 5 -2.465 -8.876 -6.789 39 2HE MET 5 2HE MET 5 -3.948 -8.848 -5.837 40 3HE MET 5 3HE MET 5 -3.638 -10.185 -6.946 41 H LYS 6 H LYS 6 -6.291 -9.268 -0.879 42 HA LYS 6 HA LYS 6 -7.243 -6.790 -2.062 43 1HB LYS 6 2HB LYS 6 -8.817 -8.601 -1.428 44 2HB LYS 6 1HB LYS 6 -8.333 -8.412 0.249 45 1HG LYS 6 2HG LYS 6 -9.232 -6.150 0.268 46 2HG LYS 6 1HG LYS 6 -9.694 -6.313 -1.430 47 1HD LYS 6 2HD LYS 6 -11.162 -8.186 -0.847 48 2HD LYS 6 1HD LYS 6 -10.709 -8.016 0.849 49 1HE LYS 6 2HE LYS 6 -11.660 -5.761 0.874 50 2HE LYS 6 1HE LYS 6 -12.103 -5.930 -0.826 51 1HZ LYS 6 1HZ LYS 6 -13.123 -7.628 1.393 52 2HZ LYS 6 2HZ LYS 6 -13.570 -7.747 -0.239 53 3HZ LYS 6 3HZ LYS 6 -13.976 -6.362 0.650 54 H ASN 7 H ASN 7 -6.039 -5.074 -1.478 55 HA ASN 7 HA ASN 7 -4.611 -4.816 0.927 56 1HB ASN 7 2HB ASN 7 -5.592 -2.641 -0.937 57 2HB ASN 7 1HB ASN 7 -4.392 -2.421 0.329 58 1HD2 ASN 7 1HD2 ASN 7 -2.327 -3.282 0.054 59 2HD2 ASN 7 2HD2 ASN 7 -1.755 -3.803 -1.487 60 H LEU 8 H LEU 8 -5.100 -4.024 2.881 61 HA LEU 8 HA LEU 8 -7.714 -3.871 3.795 62 1HB LEU 8 2HB LEU 8 -6.815 -2.856 5.832 63 2HB LEU 8 1HB LEU 8 -5.869 -4.237 5.320 64 HG LEU 8 HG LEU 8 -4.993 -1.445 4.627 65 1HD1 LEU 8 1HD1 LEU 8 -3.639 -1.438 6.664 66 2HD1 LEU 8 2HD1 LEU 8 -4.395 -2.950 7.173 67 3HD1 LEU 8 3HD1 LEU 8 -5.363 -1.480 7.041 68 1HD2 LEU 8 1HD2 LEU 8 -3.496 -4.025 5.095 69 2HD2 LEU 8 2HD2 LEU 8 -2.787 -2.485 4.604 70 3HD2 LEU 8 3HD2 LEU 8 -3.886 -3.337 3.519 71 H SER 9 H SER 9 -5.547 -1.264 2.767 72 HA SER 9 HA SER 9 -7.205 0.886 3.434 73 1HB SER 9 2HB SER 9 -5.160 0.680 1.212 74 2HB SER 9 1HB SER 9 -5.825 2.183 1.853 75 HG SER 9 HG SER 9 -3.702 1.051 2.714 76 H ASN 10 H ASN 10 -7.232 -1.270 0.692 77 HA ASN 10 HA ASN 10 -8.995 0.315 -0.915 78 1HB ASN 10 2HB ASN 10 -7.502 -1.313 -1.960 79 2HB ASN 10 1HB ASN 10 -8.266 -2.619 -1.066 80 1HD2 ASN 10 1HD2 ASN 10 -10.222 -3.416 -1.748 81 2HD2 ASN 10 2HD2 ASN 10 -10.935 -3.000 -3.269 82 H ASN 11 H ASN 11 -9.328 -2.190 1.503 83 HA ASN 11 HA ASN 11 -12.151 -2.542 1.116 84 1HB ASN 11 2HB ASN 11 -10.857 -4.349 2.102 85 2HB ASN 11 1HB ASN 11 -10.349 -3.307 3.425 86 1HD2 ASN 11 1HD2 ASN 11 -11.649 -3.056 5.160 87 2HD2 ASN 11 2HD2 ASN 11 -13.184 -3.838 5.339 88 H PHE 12 H PHE 12 -10.185 -0.947 3.634 89 HA PHE 12 HA PHE 12 -12.073 0.399 5.049 90 1HB PHE 12 2HB PHE 12 -9.345 1.257 4.161 91 2HB PHE 12 1HB PHE 12 -10.354 2.348 5.101 92 HD1 PHE 12 1HD PHE 12 -7.840 -0.025 5.327 93 HD2 PHE 12 2HD PHE 12 -11.460 1.151 7.233 94 HE1 PHE 12 1HE PHE 12 -7.102 -1.122 7.401 95 HE2 PHE 12 2HE PHE 12 -10.725 0.056 9.310 96 HZ PHE 12 HZ PHE 12 -8.545 -1.080 9.395 97 H GLY 13 H GLY 13 -10.465 2.149 2.314 98 1HA GLY 13 2HA GLY 13 -11.202 3.971 1.148 99 2HA GLY 13 1HA GLY 13 -12.757 3.157 1.136 100 H LYS 14 H LYS 14 -10.905 4.583 3.844 101 HA LYS 14 HA LYS 14 -13.226 5.703 5.000 102 1HB LYS 14 2HB LYS 14 -11.277 5.110 6.350 103 2HB LYS 14 1HB LYS 14 -10.315 6.329 5.525 104 1HG LYS 14 2HG LYS 14 -11.723 8.087 6.432 105 2HG LYS 14 1HG LYS 14 -12.742 6.883 7.221 106 1HD LYS 14 2HD LYS 14 -10.848 6.165 8.585 107 2HD LYS 14 1HD LYS 14 -9.812 7.343 7.778 108 1HE LYS 14 2HE LYS 14 -11.199 9.158 8.624 109 2HE LYS 14 1HE LYS 14 -12.269 7.992 9.400 110 1HZ LYS 14 1HZ LYS 14 -9.385 8.223 10.037 111 2HZ LYS 14 2HZ LYS 14 -10.572 7.363 10.896 112 3HZ LYS 14 3HZ LYS 14 -10.588 9.058 10.882 113 H ALA 15 H ALA 15 -10.388 7.355 3.609 114 HA ALA 15 HA ALA 15 -12.123 9.358 2.426 115 1HB ALA 15 1HB ALA 15 -10.952 11.232 3.458 116 2HB ALA 15 2HB ALA 15 -9.972 10.114 4.404 117 3HB ALA 15 3HB ALA 15 -11.710 10.217 4.686 118 H MET 16 H MET 16 -11.450 9.043 0.384 119 HA MET 16 HA MET 16 -8.749 8.455 -0.318 120 1HB MET 16 2HB MET 16 -11.079 9.370 -2.017 121 2HB MET 16 1HB MET 16 -9.532 8.841 -2.661 122 1HG MET 16 2HG MET 16 -11.451 7.170 -1.055 123 2HG MET 16 1HG MET 16 -11.191 7.079 -2.796 124 1HE MET 16 1HE MET 16 -11.098 4.546 -0.952 125 2HE MET 16 2HE MET 16 -9.639 3.722 -1.505 126 3HE MET 16 3HE MET 16 -10.738 4.455 -2.675 127 H ASP 17 H ASP 17 -10.567 11.320 0.192 128 HA ASP 17 HA ASP 17 -9.179 13.173 -1.381 129 1HB ASP 17 2HB ASP 17 -11.320 13.687 -0.336 130 2HB ASP 17 1HB ASP 17 -10.591 13.564 1.262 131 H GLN 18 H GLN 18 -8.309 11.664 1.620 132 HA GLN 18 HA GLN 18 -6.482 13.847 2.268 133 1HB GLN 18 2HB GLN 18 -7.701 11.644 3.808 134 2HB GLN 18 1HB GLN 18 -6.067 12.096 4.279 135 1HG GLN 18 2HG GLN 18 -6.779 14.404 4.597 136 2HG GLN 18 1HG GLN 18 -8.420 13.994 4.107 137 1HE2 GLN 18 1HE2 GLN 18 -9.368 14.550 6.013 138 2HE2 GLN 18 2HE2 GLN 18 -9.117 13.687 7.491 139 H CYS 19 H CYS 19 -6.418 10.588 1.056 140 HA CYS 19 HA CYS 19 -3.585 10.323 1.283 141 1HB CYS 19 2HB CYS 19 -5.609 8.843 -0.397 142 2HB CYS 19 1HB CYS 19 -3.886 8.481 -0.416 143 H LYS 20 H LYS 20 -5.815 11.584 -1.088 144 HA LYS 20 HA LYS 20 -4.013 11.990 -3.199 145 1HB LYS 20 2HB LYS 20 -6.411 12.149 -3.512 146 2HB LYS 20 1HB LYS 20 -6.513 13.480 -2.378 147 1HG LYS 20 2HG LYS 20 -6.705 14.224 -4.691 148 2HG LYS 20 1HG LYS 20 -5.292 14.912 -3.893 149 1HD LYS 20 2HD LYS 20 -3.867 13.256 -4.985 150 2HD LYS 20 1HD LYS 20 -5.278 12.549 -5.781 151 1HE LYS 20 2HE LYS 20 -4.086 14.051 -7.288 152 2HE LYS 20 1HE LYS 20 -5.695 14.671 -6.919 153 1HZ LYS 20 1HZ LYS 20 -3.115 15.610 -5.784 154 2HZ LYS 20 2HZ LYS 20 -4.627 16.106 -5.209 155 3HZ LYS 20 3HZ LYS 20 -4.167 16.472 -6.798 156 H ASP 21 H ASP 21 -5.009 14.043 -0.498 157 HA ASP 21 HA ASP 21 -3.356 16.227 -1.323 158 1HB ASP 21 2HB ASP 21 -5.483 16.494 -0.046 159 2HB ASP 21 1HB ASP 21 -4.669 15.837 1.369 160 H GLU 22 H GLU 22 -3.056 13.813 1.317 161 HA GLU 22 HA GLU 22 -0.759 15.055 2.444 162 1HB GLU 22 2HB GLU 22 -2.111 12.428 2.823 163 2HB GLU 22 1HB GLU 22 -0.501 12.648 3.483 164 1HG GLU 22 2HG GLU 22 -2.799 14.481 4.046 165 2HG GLU 22 1HG GLU 22 -2.429 13.067 5.026 166 H LEU 23 H LEU 23 -1.158 12.597 -0.033 167 HA LEU 23 HA LEU 23 1.689 12.026 -0.052 168 1HB LEU 23 2HB LEU 23 -0.632 10.998 -1.643 169 2HB LEU 23 1HB LEU 23 1.015 10.667 -2.129 170 HG LEU 23 HG LEU 23 0.047 8.795 -0.928 171 1HD1 LEU 23 1HD1 LEU 23 1.805 8.419 0.656 172 2HD1 LEU 23 2HD1 LEU 23 2.157 10.146 0.737 173 3HD1 LEU 23 3HD1 LEU 23 2.463 9.250 -0.753 174 1HD2 LEU 23 1HD2 LEU 23 -1.372 10.424 0.487 175 2HD2 LEU 23 2HD2 LEU 23 0.001 10.376 1.593 176 3HD2 LEU 23 3HD2 LEU 23 -0.855 8.888 1.181 177 H SER 24 H SER 24 -0.426 14.250 -1.426 178 HA SER 24 HA SER 24 -0.419 15.650 -3.220 179 1HB SER 24 2HB SER 24 2.559 15.071 -3.252 180 2HB SER 24 1HB SER 24 1.761 16.442 -4.022 181 HG SER 24 HG SER 24 0.981 16.856 -1.739 182 H LEU 25 H LEU 25 -1.074 12.993 -3.577 183 HA LEU 25 HA LEU 25 0.334 11.490 -5.435 184 1HB LEU 25 2HB LEU 25 -2.011 11.286 -3.947 185 2HB LEU 25 1HB LEU 25 -2.539 11.143 -5.611 186 HG LEU 25 HG LEU 25 -1.050 9.238 -5.946 187 1HD1 LEU 25 1HD1 LEU 25 -0.359 9.531 -3.036 188 2HD1 LEU 25 2HD1 LEU 25 0.710 9.942 -4.378 189 3HD1 LEU 25 3HD1 LEU 25 0.199 8.272 -4.136 190 1HD2 LEU 25 1HD2 LEU 25 -2.823 9.104 -3.523 191 2HD2 LEU 25 2HD2 LEU 25 -2.151 7.685 -4.334 192 3HD2 LEU 25 3HD2 LEU 25 -3.268 8.749 -5.194 193 HA PRO 26 HA PRO 26 -0.635 13.745 -9.229 194 1HB PRO 26 2HB PRO 26 0.801 11.490 -10.460 195 2HB PRO 26 1HB PRO 26 1.165 13.216 -10.530 196 1HG PRO 26 2HG PRO 26 2.701 11.523 -9.129 197 2HG PRO 26 1HG PRO 26 2.385 13.175 -8.563 198 1HD PRO 26 2HD PRO 26 1.107 10.604 -7.700 199 2HD PRO 26 1HD PRO 26 1.685 11.952 -6.702 200 H ASP 27 H ASP 27 -1.934 13.231 -11.098 201 HA ASP 27 HA ASP 27 -3.991 11.379 -10.420 202 1HB ASP 27 2HB ASP 27 -5.081 12.075 -12.504 203 2HB ASP 27 1HB ASP 27 -4.614 13.416 -11.471 204 H SER 28 H SER 28 -1.165 11.177 -12.365 205 HA SER 28 HA SER 28 -1.856 8.901 -13.887 206 1HB SER 28 2HB SER 28 0.909 9.457 -12.810 207 2HB SER 28 1HB SER 28 0.461 8.707 -14.341 208 HG SER 28 HG SER 28 -0.535 10.853 -14.814 209 H VAL 29 H VAL 29 -0.661 9.353 -10.617 210 HA VAL 29 HA VAL 29 -0.099 6.592 -10.140 211 HB VAL 29 HB VAL 29 -0.456 8.839 -8.144 212 1HG1 VAL 29 1HG1 VAL 29 1.252 6.481 -7.553 213 2HG1 VAL 29 2HG1 VAL 29 -0.501 6.238 -7.510 214 3HG1 VAL 29 3HG1 VAL 29 0.241 7.461 -6.481 215 1HG2 VAL 29 1HG2 VAL 29 2.028 7.726 -9.444 216 2HG2 VAL 29 2HG2 VAL 29 1.997 8.931 -8.157 217 3HG2 VAL 29 3HG2 VAL 29 1.314 9.311 -9.737 218 H VAL 30 H VAL 30 -2.711 8.794 -9.008 219 HA VAL 30 HA VAL 30 -4.189 6.850 -7.657 220 HB VAL 30 HB VAL 30 -6.167 8.278 -7.919 221 1HG1 VAL 30 1HG1 VAL 30 -3.737 9.965 -7.361 222 2HG1 VAL 30 2HG1 VAL 30 -4.411 8.786 -6.234 223 3HG1 VAL 30 3HG1 VAL 30 -5.369 10.182 -6.726 224 1HG2 VAL 30 1HG2 VAL 30 -6.036 10.391 -9.149 225 2HG2 VAL 30 2HG2 VAL 30 -5.864 9.000 -10.219 226 3HG2 VAL 30 3HG2 VAL 30 -4.443 9.936 -9.754 227 H ALA 31 H ALA 31 -4.089 7.647 -11.077 228 HA ALA 31 HA ALA 31 -6.391 6.221 -11.881 229 1HB ALA 31 1HB ALA 31 -3.914 6.868 -13.462 230 2HB ALA 31 2HB ALA 31 -5.310 7.929 -13.262 231 3HB ALA 31 3HB ALA 31 -5.478 6.403 -14.129 232 H ASP 32 H ASP 32 -2.935 5.314 -11.948 233 HA ASP 32 HA ASP 32 -3.497 2.711 -12.997 234 1HB ASP 32 2HB ASP 32 -1.264 4.226 -12.960 235 2HB ASP 32 1HB ASP 32 -0.922 3.155 -11.602 236 H LEU 33 H LEU 33 -3.183 4.107 -9.850 237 HA LEU 33 HA LEU 33 -2.905 1.871 -8.246 238 1HB LEU 33 2HB LEU 33 -3.046 4.370 -7.654 239 2HB LEU 33 1HB LEU 33 -4.784 4.146 -7.648 240 HG LEU 33 HG LEU 33 -4.499 2.422 -5.867 241 1HD1 LEU 33 1HD1 LEU 33 -1.646 3.362 -6.066 242 2HD1 LEU 33 2HD1 LEU 33 -2.257 1.710 -6.214 243 3HD1 LEU 33 3HD1 LEU 33 -2.294 2.527 -4.650 244 1HD2 LEU 33 1HD2 LEU 33 -5.008 4.854 -5.479 245 2HD2 LEU 33 2HD2 LEU 33 -3.294 5.079 -5.126 246 3HD2 LEU 33 3HD2 LEU 33 -4.272 4.010 -4.117 247 H TYR 34 H TYR 34 -5.943 3.391 -9.357 248 HA TYR 34 HA TYR 34 -7.553 1.208 -8.470 249 1HB TYR 34 2HB TYR 34 -8.187 3.475 -10.353 250 2HB TYR 34 1HB TYR 34 -9.376 2.345 -9.712 251 HD1 TYR 34 1HD TYR 34 -8.130 5.519 -9.324 252 HD2 TYR 34 2HD TYR 34 -9.113 2.099 -6.997 253 HE1 TYR 34 1HE TYR 34 -8.393 6.951 -7.347 254 HE2 TYR 34 2HE TYR 34 -9.384 3.523 -5.008 255 HH TYR 34 HH TYR 34 -8.595 5.721 -4.199 256 H ASN 35 H ASN 35 -5.380 0.746 -10.781 257 HA ASN 35 HA ASN 35 -6.878 0.107 -13.099 258 1HB ASN 35 2HB ASN 35 -4.502 0.593 -13.242 259 2HB ASN 35 1HB ASN 35 -4.128 -0.788 -12.221 260 1HD2 ASN 35 1HD2 ASN 35 -2.813 -1.682 -13.777 261 2HD2 ASN 35 2HD2 ASN 35 -3.430 -2.428 -15.206 262 H PHE 36 H PHE 36 -8.041 -1.610 -13.571 263 HA PHE 36 HA PHE 36 -8.356 -3.695 -11.604 264 1HB PHE 36 2HB PHE 36 -10.358 -2.824 -12.602 265 2HB PHE 36 1HB PHE 36 -9.742 -3.113 -14.224 266 HD1 PHE 36 1HD PHE 36 -10.112 -5.158 -15.306 267 HD2 PHE 36 2HD PHE 36 -10.875 -4.812 -11.132 268 HE1 PHE 36 1HE PHE 36 -11.185 -7.370 -15.321 269 HE2 PHE 36 2HE PHE 36 -11.949 -7.024 -11.145 270 HZ PHE 36 HZ PHE 36 -12.105 -8.306 -13.240 271 H TRP 37 H TRP 37 -6.945 -3.332 -14.786 272 HA TRP 37 HA TRP 37 -6.849 -6.130 -15.337 273 1HB TRP 37 2HB TRP 37 -5.599 -3.729 -16.664 274 2HB TRP 37 1HB TRP 37 -5.302 -5.374 -17.223 275 HD1 TRP 37 HD TRP 37 -7.083 -6.438 -18.768 276 HE1 TRP 37 1HE TRP 37 -9.392 -5.716 -19.663 277 HE3 TRP 37 3HE TRP 37 -7.784 -2.252 -15.907 278 HZ2 TRP 37 2HZ TRP 37 -11.250 -3.646 -19.207 279 HZ3 TRP 37 3HZ TRP 37 -9.855 -0.961 -16.202 280 HH2 TRP 37 HH TRP 37 -11.551 -1.643 -17.818 281 H LYS 38 H LYS 38 -5.266 -7.564 -15.057 282 HA LYS 38 HA LYS 38 -3.417 -6.965 -12.956 283 1HB LYS 38 2HB LYS 38 -2.830 -9.394 -13.145 284 2HB LYS 38 1HB LYS 38 -4.528 -9.062 -12.825 285 1HG LYS 38 2HG LYS 38 -5.061 -9.463 -15.171 286 2HG LYS 38 1HG LYS 38 -3.353 -9.752 -15.516 287 1HD LYS 38 2HD LYS 38 -3.377 -11.663 -13.974 288 2HD LYS 38 1HD LYS 38 -5.094 -11.384 -13.667 289 1HE LYS 38 2HE LYS 38 -5.616 -11.814 -15.988 290 2HE LYS 38 1HE LYS 38 -3.904 -11.967 -16.374 291 1HZ LYS 38 1HZ LYS 38 -5.078 -14.110 -16.123 292 2HZ LYS 38 2HZ LYS 38 -5.339 -13.749 -14.487 293 3HZ LYS 38 3HZ LYS 38 -3.760 -13.939 -15.069 294 H ASP 39 H ASP 39 -2.406 -5.342 -14.582 295 HA ASP 39 HA ASP 39 -0.527 -5.904 -16.433 296 1HB ASP 39 2HB ASP 39 -0.622 -3.954 -14.223 297 2HB ASP 39 1HB ASP 39 0.958 -4.210 -14.957 298 H ASP 40 H ASP 40 0.236 -6.252 -12.904 299 HA ASP 40 HA ASP 40 1.804 -7.430 -11.814 300 1HB ASP 40 2HB ASP 40 0.880 -9.391 -13.020 301 2HB ASP 40 1HB ASP 40 2.010 -9.098 -14.339 302 H TYR 41 H TYR 41 2.889 -5.357 -12.078 303 HA TYR 41 HA TYR 41 5.393 -5.645 -13.566 304 1HB TYR 41 2HB TYR 41 5.381 -3.237 -13.971 305 2HB TYR 41 1HB TYR 41 3.989 -4.007 -14.699 306 HD1 TYR 41 1HD TYR 41 3.408 -1.480 -14.823 307 HD2 TYR 41 2HD TYR 41 3.468 -3.684 -11.187 308 HE1 TYR 41 1HE TYR 41 1.973 0.213 -13.775 309 HE2 TYR 41 2HE TYR 41 2.029 -2.000 -10.133 310 HH TYR 41 HH TYR 41 0.414 0.432 -11.921 311 H VAL 42 H VAL 42 6.980 -3.817 -12.646 312 HA VAL 42 HA VAL 42 7.212 -4.385 -9.814 313 HB VAL 42 HB VAL 42 8.978 -2.682 -11.588 314 1HG1 VAL 42 1HG1 VAL 42 9.476 -3.834 -8.844 315 2HG1 VAL 42 2HG1 VAL 42 9.231 -2.133 -9.232 316 3HG1 VAL 42 3HG1 VAL 42 10.663 -2.974 -9.824 317 1HG2 VAL 42 1HG2 VAL 42 8.892 -4.997 -12.362 318 2HG2 VAL 42 2HG2 VAL 42 9.307 -5.559 -10.741 319 3HG2 VAL 42 3HG2 VAL 42 10.472 -4.617 -11.670 320 H MET 43 H MET 43 6.539 -3.047 -8.236 321 HA MET 43 HA MET 43 5.160 -0.642 -8.825 322 1HB MET 43 2HB MET 43 4.620 -2.033 -6.867 323 2HB MET 43 1HB MET 43 6.193 -1.668 -6.173 324 1HG MET 43 2HG MET 43 5.602 0.661 -5.954 325 2HG MET 43 1HG MET 43 4.059 0.373 -6.758 326 1HE MET 43 1HE MET 43 2.175 -1.859 -4.156 327 2HE MET 43 2HE MET 43 3.148 -2.404 -5.521 328 3HE MET 43 3HE MET 43 2.071 -1.020 -5.704 329 H THR 44 H THR 44 6.438 0.780 -9.885 330 HA THR 44 HA THR 44 9.078 1.390 -8.847 331 HB THR 44 HB THR 44 9.313 2.722 -10.942 332 HG1 THR 44 1HG THR 44 7.653 2.852 -12.354 333 1HG2 THR 44 1HG2 THR 44 9.888 0.273 -10.800 334 2HG2 THR 44 2HG2 THR 44 9.489 0.841 -12.419 335 3HG2 THR 44 3HG2 THR 44 8.303 -0.072 -11.487 336 H ASP 45 H ASP 45 5.930 2.902 -9.222 337 HA ASP 45 HA ASP 45 6.787 5.536 -8.578 338 1HB ASP 45 2HB ASP 45 4.717 5.333 -9.739 339 2HB ASP 45 1HB ASP 45 4.070 4.260 -8.512 340 H ARG 46 H ARG 46 7.062 6.523 -6.727 341 HA ARG 46 HA ARG 46 7.322 4.860 -4.397 342 1HB ARG 46 2HB ARG 46 7.828 7.846 -4.697 343 2HB ARG 46 1HB ARG 46 8.199 6.894 -3.276 344 1HG ARG 46 2HG ARG 46 10.199 7.303 -4.541 345 2HG ARG 46 1HG ARG 46 9.823 5.583 -4.603 346 1HD ARG 46 2HD ARG 46 9.015 5.759 -6.820 347 2HD ARG 46 1HD ARG 46 9.027 7.520 -6.763 348 HE ARG 46 HE ARG 46 11.264 7.507 -7.251 349 1HH1 ARG 46 1HH1 ARG 46 10.269 4.257 -6.403 350 2HH1 ARG 46 2HH1 ARG 46 11.769 3.534 -6.883 351 1HH2 ARG 46 1HH2 ARG 46 13.232 6.558 -7.916 352 2HH2 ARG 46 2HH2 ARG 46 13.450 4.838 -7.767 353 H LEU 47 H LEU 47 4.901 6.854 -5.752 354 HA LEU 47 HA LEU 47 3.690 7.628 -3.260 355 1HB LEU 47 2HB LEU 47 2.951 7.946 -6.157 356 2HB LEU 47 1HB LEU 47 1.773 8.263 -4.900 357 HG LEU 47 HG LEU 47 2.683 10.342 -5.500 358 1HD1 LEU 47 1HD1 LEU 47 2.463 9.837 -3.071 359 2HD1 LEU 47 2HD1 LEU 47 3.595 11.140 -3.463 360 3HD1 LEU 47 3HD1 LEU 47 4.206 9.539 -3.036 361 1HD2 LEU 47 1HD2 LEU 47 4.645 9.505 -6.698 362 2HD2 LEU 47 2HD2 LEU 47 5.434 9.160 -5.154 363 3HD2 LEU 47 3HD2 LEU 47 5.058 10.826 -5.600 364 H ALA 48 H ALA 48 3.758 4.846 -5.193 365 HA ALA 48 HA ALA 48 1.039 4.035 -4.670 366 1HB ALA 48 1HB ALA 48 2.381 3.430 -6.723 367 2HB ALA 48 2HB ALA 48 1.538 2.098 -5.933 368 3HB ALA 48 3HB ALA 48 3.276 2.306 -5.704 369 H GLY 49 H GLY 49 4.152 2.446 -4.018 370 1HA GLY 49 2HA GLY 49 3.704 0.963 -1.836 371 2HA GLY 49 1HA GLY 49 5.143 1.954 -1.976 372 H CYS 50 H CYS 50 4.182 4.555 -1.511 373 HA CYS 50 HA CYS 50 3.847 4.484 1.289 374 1HB CYS 50 2HB CYS 50 3.815 6.658 -0.769 375 2HB CYS 50 1HB CYS 50 3.265 7.012 0.859 376 H ALA 51 H ALA 51 1.534 5.085 -1.339 377 HA ALA 51 HA ALA 51 -0.632 5.810 0.324 378 1HB ALA 51 1HB ALA 51 -0.546 6.346 -2.062 379 2HB ALA 51 2HB ALA 51 -2.033 5.504 -1.628 380 3HB ALA 51 3HB ALA 51 -0.733 4.636 -2.447 381 H ILE 52 H ILE 52 0.722 2.732 -0.406 382 HA ILE 52 HA ILE 52 -1.433 1.028 -0.003 383 HB ILE 52 HB ILE 52 1.420 0.664 0.932 384 1HG1 ILE 52 2HG1 ILE 52 1.249 0.990 -1.478 385 2HG1 ILE 52 1HG1 ILE 52 1.664 -0.683 -1.119 386 1HG2 ILE 52 1HG2 ILE 52 0.930 -1.737 0.970 387 2HG2 ILE 52 2HG2 ILE 52 -0.759 -1.394 0.608 388 3HG2 ILE 52 3HG2 ILE 52 -0.055 -0.849 2.131 389 1HD1 ILE 52 1HD1 ILE 52 -1.071 0.334 -1.857 390 2HD1 ILE 52 2HD1 ILE 52 -0.647 -1.345 -1.514 391 3HD1 ILE 52 3HD1 ILE 52 0.042 -0.529 -2.919 392 H ASN 53 H ASN 53 0.582 2.720 2.359 393 HA ASN 53 HA ASN 53 -1.395 1.998 4.422 394 1HB ASN 53 2HB ASN 53 1.584 2.384 4.675 395 2HB ASN 53 1HB ASN 53 0.512 2.502 6.066 396 1HD2 ASN 53 1HD2 ASN 53 -0.585 0.670 6.771 397 2HD2 ASN 53 2HD2 ASN 53 -0.076 -0.922 6.332 398 H CYS 54 H CYS 54 -2.583 3.843 3.627 399 HA CYS 54 HA CYS 54 -1.451 6.384 4.589 400 1HB CYS 54 2HB CYS 54 -1.432 6.561 2.240 401 2HB CYS 54 1HB CYS 54 -3.018 5.812 2.087 402 H LEU 55 H LEU 55 -4.471 4.587 3.995 403 HA LEU 55 HA LEU 55 -6.145 6.681 4.913 404 1HB LEU 55 2HB LEU 55 -6.663 3.749 4.475 405 2HB LEU 55 1HB LEU 55 -7.906 4.843 5.046 406 HG LEU 55 HG LEU 55 -7.526 6.194 2.926 407 1HD1 LEU 55 1HD1 LEU 55 -5.333 5.294 2.334 408 2HD1 LEU 55 2HD1 LEU 55 -6.504 5.024 1.043 409 3HD1 LEU 55 3HD1 LEU 55 -6.044 3.696 2.107 410 1HD2 LEU 55 1HD2 LEU 55 -8.509 3.358 2.674 411 2HD2 LEU 55 2HD2 LEU 55 -8.874 4.679 1.565 412 3HD2 LEU 55 3HD2 LEU 55 -9.446 4.744 3.231 413 H ALA 56 H ALA 56 -5.927 3.464 6.422 414 HA ALA 56 HA ALA 56 -6.799 4.622 8.918 415 1HB ALA 56 1HB ALA 56 -6.848 2.316 9.724 416 2HB ALA 56 2HB ALA 56 -6.077 1.776 8.233 417 3HB ALA 56 3HB ALA 56 -7.696 2.475 8.184 418 H THR 57 H THR 57 -3.894 4.296 7.398 419 HA THR 57 HA THR 57 -2.311 3.921 9.774 420 HB THR 57 HB THR 57 -1.511 4.646 6.954 421 HG1 THR 57 1HG THR 57 -1.698 2.276 8.449 422 1HG2 THR 57 1HG2 THR 57 0.129 4.213 9.433 423 2HG2 THR 57 2HG2 THR 57 0.191 5.567 8.302 424 3HG2 THR 57 3HG2 THR 57 0.797 3.982 7.815 425 H LYS 58 H LYS 58 -3.347 6.644 7.708 426 HA LYS 58 HA LYS 58 -2.045 8.559 9.401 427 1HB LYS 58 2HB LYS 58 -4.010 8.759 7.154 428 2HB LYS 58 1HB LYS 58 -3.742 10.147 8.201 429 1HG LYS 58 2HG LYS 58 -1.187 9.289 7.563 430 2HG LYS 58 1HG LYS 58 -2.099 9.100 6.062 431 1HD LYS 58 2HD LYS 58 -1.111 11.329 6.199 432 2HD LYS 58 1HD LYS 58 -2.875 11.420 6.237 433 1HE LYS 58 2HE LYS 58 -2.720 11.528 8.740 434 2HE LYS 58 1HE LYS 58 -0.973 11.673 8.565 435 1HZ LYS 58 1HZ LYS 58 -1.273 13.720 7.349 436 2HZ LYS 58 2HZ LYS 58 -2.081 13.825 8.834 437 3HZ LYS 58 3HZ LYS 58 -2.960 13.557 7.409 438 H LEU 59 H LEU 59 -4.979 6.773 9.581 439 HA LEU 59 HA LEU 59 -6.418 8.410 11.337 440 1HB LEU 59 2HB LEU 59 -7.562 6.616 10.399 441 2HB LEU 59 1HB LEU 59 -6.299 5.472 10.805 442 HG LEU 59 HG LEU 59 -6.917 5.593 13.146 443 1HD1 LEU 59 1HD1 LEU 59 -9.137 7.425 12.230 444 2HD1 LEU 59 2HD1 LEU 59 -7.749 7.894 13.214 445 3HD1 LEU 59 3HD1 LEU 59 -8.942 6.768 13.856 446 1HD2 LEU 59 1HD2 LEU 59 -9.131 5.022 11.210 447 2HD2 LEU 59 2HD2 LEU 59 -9.185 4.556 12.911 448 3HD2 LEU 59 3HD2 LEU 59 -7.945 3.883 11.850 449 H ASP 60 H ASP 60 -4.502 5.509 12.204 450 HA ASP 60 HA ASP 60 -2.980 6.738 14.219 451 1HB ASP 60 2HB ASP 60 -5.107 6.976 15.420 452 2HB ASP 60 1HB ASP 60 -5.413 5.250 15.242 453 H VAL 61 H VAL 61 -1.230 5.458 14.365 454 HA VAL 61 HA VAL 61 -1.269 2.693 14.808 455 HB VAL 61 HB VAL 61 -2.265 2.648 12.536 456 1HG1 VAL 61 1HG1 VAL 61 -1.178 4.555 11.566 457 2HG1 VAL 61 2HG1 VAL 61 -0.850 3.119 10.592 458 3HG1 VAL 61 3HG1 VAL 61 0.390 3.757 11.674 459 1HG2 VAL 61 1HG2 VAL 61 0.466 1.397 12.528 460 2HG2 VAL 61 2HG2 VAL 61 -0.980 0.836 11.686 461 3HG2 VAL 61 3HG2 VAL 61 -0.898 0.762 13.447 462 H VAL 62 H VAL 62 0.260 4.813 15.828 463 HA VAL 62 HA VAL 62 2.893 4.266 14.640 464 HB VAL 62 HB VAL 62 3.753 6.290 15.455 465 1HG1 VAL 62 1HG1 VAL 62 2.270 7.998 14.541 466 2HG1 VAL 62 2HG1 VAL 62 0.953 6.824 14.523 467 3HG1 VAL 62 3HG1 VAL 62 2.376 6.570 13.512 468 1HG2 VAL 62 1HG2 VAL 62 1.275 6.636 17.127 469 2HG2 VAL 62 2HG2 VAL 62 2.540 7.841 16.931 470 3HG2 VAL 62 3HG2 VAL 62 2.901 6.305 17.716 471 H ASP 63 H ASP 63 4.163 2.866 15.666 472 HA ASP 63 HA ASP 63 3.558 1.753 18.161 473 1HB ASP 63 2HB ASP 63 5.116 0.952 16.162 474 2HB ASP 63 1HB ASP 63 6.367 1.679 17.153 475 HA PRO 64 HA PRO 64 6.913 4.346 20.178 476 1HB PRO 64 2HB PRO 64 8.602 5.800 18.480 477 2HB PRO 64 1HB PRO 64 8.875 4.152 19.051 478 1HG PRO 64 2HG PRO 64 8.423 4.916 16.394 479 2HG PRO 64 1HG PRO 64 8.320 3.266 17.035 480 1HD PRO 64 2HD PRO 64 6.130 5.268 16.601 481 2HD PRO 64 1HD PRO 64 6.135 3.534 16.250 482 H ASP 65 H ASP 65 8.207 6.907 19.237 483 HA ASP 65 HA ASP 65 6.414 8.642 20.598 484 1HB ASP 65 2HB ASP 65 8.828 8.835 20.839 485 2HB ASP 65 1HB ASP 65 9.013 9.151 19.123 486 H GLY 66 H GLY 66 6.261 7.633 17.471 487 1HA GLY 66 2HA GLY 66 4.546 9.076 16.167 488 2HA GLY 66 1HA GLY 66 5.796 10.296 16.321 489 H ASN 67 H ASN 67 8.055 9.225 15.830 490 HA ASN 67 HA ASN 67 7.958 8.495 13.034 491 1HB ASN 67 2HB ASN 67 10.437 8.709 13.193 492 2HB ASN 67 1HB ASN 67 9.590 10.147 13.759 493 1HD2 ASN 67 1HD2 ASN 67 11.553 7.426 14.665 494 2HD2 ASN 67 2HD2 ASN 67 11.873 7.946 16.290 495 H LEU 68 H LEU 68 8.730 6.595 12.132 496 HA LEU 68 HA LEU 68 9.626 4.519 11.929 497 1HB LEU 68 2HB LEU 68 11.215 5.696 13.774 498 2HB LEU 68 1HB LEU 68 10.595 4.364 14.723 499 HG LEU 68 HG LEU 68 12.785 3.873 13.698 500 1HD1 LEU 68 1HD1 LEU 68 11.229 2.056 14.207 501 2HD1 LEU 68 2HD1 LEU 68 12.256 1.690 12.819 502 3HD1 LEU 68 3HD1 LEU 68 10.576 2.167 12.574 503 1HD2 LEU 68 1HD2 LEU 68 11.352 3.948 11.050 504 2HD2 LEU 68 2HD2 LEU 68 13.057 3.612 11.341 505 3HD2 LEU 68 3HD2 LEU 68 12.410 5.224 11.644 506 H HIS 69 H HIS 69 6.976 4.679 12.499 507 HA HIS 69 HA HIS 69 6.269 2.948 14.652 508 1HB HIS 69 2HB HIS 69 3.979 3.077 13.768 509 2HB HIS 69 1HB HIS 69 4.707 4.668 13.920 510 HD1 HIS 69 1HD HIS 69 2.359 3.407 11.919 511 HD2 HIS 69 2HD HIS 69 6.130 4.885 10.970 512 HE1 HIS 69 1HE HIS 69 2.244 4.057 9.491 513 HE2 HIS 69 2HE HIS 69 4.511 5.025 8.953 514 H HIS 70 H HIS 70 7.562 1.132 14.281 515 HA HIS 70 HA HIS 70 7.247 -0.366 11.823 516 1HB HIS 70 2HB HIS 70 9.460 -0.243 12.620 517 2HB HIS 70 1HB HIS 70 8.984 -0.625 14.266 518 HD1 HIS 70 1HD HIS 70 9.276 -2.319 10.875 519 HD2 HIS 70 2HD HIS 70 9.268 -3.211 14.940 520 HE1 HIS 70 1HE HIS 70 9.812 -4.776 11.032 521 HE2 HIS 70 2HE HIS 70 9.626 -5.328 13.483 522 H GLY 71 H GLY 71 6.934 -1.254 15.285 523 1HA GLY 71 2HA GLY 71 5.829 -3.799 14.798 524 2HA GLY 71 1HA GLY 71 5.720 -2.916 16.310 525 H ASN 72 H ASN 72 4.138 -0.963 16.036 526 HA ASN 72 HA ASN 72 1.585 -2.029 15.931 527 1HB ASN 72 2HB ASN 72 2.689 0.698 16.102 528 2HB ASN 72 1HB ASN 72 1.030 0.593 15.520 529 1HD2 ASN 72 1HD2 ASN 72 2.026 1.690 18.029 530 2HD2 ASN 72 2HD2 ASN 72 1.250 0.794 19.290 531 H ALA 73 H ALA 73 3.433 -0.712 13.257 532 HA ALA 73 HA ALA 73 1.164 -0.334 11.553 533 1HB ALA 73 1HB ALA 73 3.244 0.898 11.188 534 2HB ALA 73 2HB ALA 73 2.788 -0.037 9.763 535 3HB ALA 73 3HB ALA 73 4.074 -0.615 10.822 536 H LYS 74 H LYS 74 3.475 -2.937 12.118 537 HA LYS 74 HA LYS 74 2.409 -4.535 9.969 538 1HB LYS 74 2HB LYS 74 4.235 -5.329 12.230 539 2HB LYS 74 1HB LYS 74 3.859 -6.308 10.820 540 1HG LYS 74 2HG LYS 74 5.369 -3.709 10.889 541 2HG LYS 74 1HG LYS 74 5.970 -5.308 10.473 542 1HD LYS 74 2HD LYS 74 4.526 -5.353 8.501 543 2HD LYS 74 1HD LYS 74 3.922 -3.746 8.913 544 1HE LYS 74 2HE LYS 74 6.202 -2.854 8.697 545 2HE LYS 74 1HE LYS 74 6.777 -4.459 8.247 546 1HZ LYS 74 1HZ LYS 74 6.452 -3.157 6.280 547 2HZ LYS 74 2HZ LYS 74 4.864 -2.771 6.730 548 3HZ LYS 74 3HZ LYS 74 5.258 -4.362 6.322 549 H ASP 75 H ASP 75 2.042 -4.261 13.431 550 HA ASP 75 HA ASP 75 0.351 -6.467 13.871 551 1HB ASP 75 2HB ASP 75 1.359 -5.359 15.742 552 2HB ASP 75 1HB ASP 75 0.642 -3.818 15.294 553 H PHE 76 H PHE 76 -0.305 -3.118 12.922 554 HA PHE 76 HA PHE 76 -3.112 -3.288 12.946 555 1HB PHE 76 2HB PHE 76 -1.705 -1.186 12.776 556 2HB PHE 76 1HB PHE 76 -1.478 -1.574 11.073 557 HD1 PHE 76 1HD PHE 76 -3.112 -1.055 9.489 558 HD2 PHE 76 2HD PHE 76 -4.020 -0.791 13.631 559 HE1 PHE 76 1HE PHE 76 -5.231 0.070 8.945 560 HE2 PHE 76 2HE PHE 76 -6.143 0.336 13.103 561 HZ PHE 76 HZ PHE 76 -6.751 0.768 10.757 562 H ALA 77 H ALA 77 -0.701 -4.185 10.546 563 HA ALA 77 HA ALA 77 -2.530 -4.756 8.441 564 1HB ALA 77 1HB ALA 77 -0.592 -6.271 7.671 565 2HB ALA 77 2HB ALA 77 0.292 -5.574 9.030 566 3HB ALA 77 3HB ALA 77 -0.320 -4.530 7.748 567 H MET 78 H MET 78 -1.311 -6.589 11.161 568 HA MET 78 HA MET 78 -2.362 -9.114 10.388 569 1HB MET 78 2HB MET 78 -1.788 -8.083 13.180 570 2HB MET 78 1HB MET 78 -1.982 -9.767 12.717 571 1HG MET 78 2HG MET 78 0.032 -9.711 11.432 572 2HG MET 78 1HG MET 78 0.190 -7.973 11.676 573 1HE MET 78 1HE MET 78 2.579 -9.992 12.247 574 2HE MET 78 2HE MET 78 3.176 -9.366 13.784 575 3HE MET 78 3HE MET 78 2.688 -8.250 12.507 576 H LYS 79 H LYS 79 -3.715 -6.319 11.970 577 HA LYS 79 HA LYS 79 -6.098 -7.757 12.758 578 1HB LYS 79 2HB LYS 79 -5.259 -4.864 12.997 579 2HB LYS 79 1HB LYS 79 -6.875 -5.412 13.418 580 1HG LYS 79 2HG LYS 79 -6.029 -6.817 15.144 581 2HG LYS 79 1HG LYS 79 -4.366 -6.544 14.625 582 1HD LYS 79 2HD LYS 79 -6.186 -4.351 15.606 583 2HD LYS 79 1HD LYS 79 -5.087 -5.247 16.657 584 1HE LYS 79 2HE LYS 79 -3.209 -4.535 15.194 585 2HE LYS 79 1HE LYS 79 -4.343 -3.543 14.282 586 1HZ LYS 79 1HZ LYS 79 -4.729 -2.185 16.175 587 2HZ LYS 79 2HZ LYS 79 -3.046 -2.347 16.031 588 3HZ LYS 79 3HZ LYS 79 -3.882 -3.242 17.199 589 H HIS 80 H HIS 80 -4.969 -6.248 9.920 590 HA HIS 80 HA HIS 80 -7.659 -6.309 8.792 591 1HB HIS 80 2HB HIS 80 -5.943 -3.833 8.516 592 2HB HIS 80 1HB HIS 80 -7.550 -4.081 7.845 593 HD1 HIS 80 1HD HIS 80 -9.539 -4.197 9.646 594 HD2 HIS 80 2HD HIS 80 -5.865 -2.844 11.040 595 HE1 HIS 80 1HE HIS 80 -10.016 -3.102 11.859 596 HE2 HIS 80 2HE HIS 80 -7.734 -2.543 12.796 597 H GLY 81 H GLY 81 -7.013 -8.005 7.470 598 1HA GLY 81 2HA GLY 81 -6.676 -7.984 4.999 599 2HA GLY 81 1HA GLY 81 -5.152 -7.176 5.332 600 H ALA 82 H ALA 82 -3.829 -8.487 7.074 601 HA ALA 82 HA ALA 82 -3.588 -11.175 5.917 602 1HB ALA 82 1HB ALA 82 -1.471 -9.817 7.535 603 2HB ALA 82 2HB ALA 82 -1.673 -9.462 5.821 604 3HB ALA 82 3HB ALA 82 -1.299 -11.105 6.343 605 H ASP 83 H ASP 83 -3.659 -12.949 7.170 606 HA ASP 83 HA ASP 83 -4.276 -12.612 9.984 607 1HB ASP 83 2HB ASP 83 -4.986 -14.817 10.078 608 2HB ASP 83 1HB ASP 83 -5.446 -14.305 8.477 609 H GLU 84 H GLU 84 -3.201 -14.511 11.346 610 HA GLU 84 HA GLU 84 -0.774 -13.433 11.895 611 1HB GLU 84 2HB GLU 84 -2.312 -15.744 12.827 612 2HB GLU 84 1HB GLU 84 -0.579 -15.880 13.090 613 1HG GLU 84 2HG GLU 84 -2.206 -13.508 13.958 614 2HG GLU 84 1HG GLU 84 -1.880 -14.905 14.986 615 H THR 85 H THR 85 -1.490 -16.288 9.938 616 HA THR 85 HA THR 85 1.256 -17.096 9.770 617 HB THR 85 HB THR 85 -0.690 -18.660 9.449 618 HG1 THR 85 1HG THR 85 0.892 -18.825 7.125 619 1HG2 THR 85 1HG2 THR 85 -1.969 -17.150 7.946 620 2HG2 THR 85 2HG2 THR 85 -1.775 -18.785 7.313 621 3HG2 THR 85 3HG2 THR 85 -0.781 -17.472 6.680 622 H MET 86 H MET 86 -0.708 -14.747 8.109 623 HA MET 86 HA MET 86 0.920 -14.795 5.704 624 1HB MET 86 2HB MET 86 -1.290 -12.874 6.461 625 2HB MET 86 1HB MET 86 -0.537 -13.025 4.882 626 1HG MET 86 2HG MET 86 -1.430 -15.267 4.656 627 2HG MET 86 1HG MET 86 -2.140 -15.140 6.269 628 1HE MET 86 1HE MET 86 -5.214 -14.973 3.750 629 2HE MET 86 2HE MET 86 -4.498 -15.867 5.092 630 3HE MET 86 3HE MET 86 -3.719 -15.876 3.509 631 H ALA 87 H ALA 87 0.306 -12.772 8.489 632 HA ALA 87 HA ALA 87 2.079 -10.694 7.788 633 1HB ALA 87 1HB ALA 87 0.862 -11.670 10.334 634 2HB ALA 87 2HB ALA 87 0.578 -10.155 9.476 635 3HB ALA 87 3HB ALA 87 2.086 -10.402 10.363 636 H GLN 88 H GLN 88 2.437 -13.792 9.412 637 HA GLN 88 HA GLN 88 5.114 -13.206 10.324 638 1HB GLN 88 2HB GLN 88 3.182 -15.370 10.661 639 2HB GLN 88 1HB GLN 88 4.844 -15.934 10.540 640 1HG GLN 88 2HG GLN 88 3.960 -15.425 12.864 641 2HG GLN 88 1HG GLN 88 5.518 -14.731 12.426 642 1HE2 GLN 88 1HE2 GLN 88 2.161 -14.074 13.061 643 2HE2 GLN 88 2HE2 GLN 88 2.319 -12.358 13.213 644 H GLN 89 H GLN 89 3.711 -14.727 7.503 645 HA GLN 89 HA GLN 89 6.292 -15.649 6.603 646 1HB GLN 89 2HB GLN 89 5.185 -16.294 4.533 647 2HB GLN 89 1HB GLN 89 4.279 -16.874 5.920 648 1HG GLN 89 2HG GLN 89 2.675 -15.055 5.641 649 2HG GLN 89 1HG GLN 89 3.594 -14.460 4.253 650 1HE2 GLN 89 1HE2 GLN 89 0.837 -15.361 4.385 651 2HE2 GLN 89 2HE2 GLN 89 0.693 -16.674 3.276 652 H LEU 90 H LEU 90 4.446 -12.748 6.447 653 HA LEU 90 HA LEU 90 5.850 -11.672 4.168 654 1HB LEU 90 2HB LEU 90 3.430 -11.161 5.233 655 2HB LEU 90 1HB LEU 90 4.356 -9.885 5.996 656 HG LEU 90 HG LEU 90 4.165 -10.315 3.012 657 1HD1 LEU 90 1HD1 LEU 90 2.769 -8.342 4.808 658 2HD1 LEU 90 2HD1 LEU 90 2.021 -9.659 3.906 659 3HD1 LEU 90 3HD1 LEU 90 2.748 -8.302 3.045 660 1HD2 LEU 90 1HD2 LEU 90 5.287 -8.000 4.587 661 2HD2 LEU 90 2HD2 LEU 90 5.198 -8.130 2.831 662 3HD2 LEU 90 3HD2 LEU 90 6.243 -9.218 3.744 663 H VAL 91 H VAL 91 5.783 -11.107 7.678 664 HA VAL 91 HA VAL 91 7.548 -8.948 7.811 665 HB VAL 91 HB VAL 91 7.961 -9.685 10.176 666 1HG1 VAL 91 1HG1 VAL 91 5.583 -9.443 10.902 667 2HG1 VAL 91 2HG1 VAL 91 5.124 -9.527 9.201 668 3HG1 VAL 91 3HG1 VAL 91 6.138 -8.203 9.775 669 1HG2 VAL 91 1HG2 VAL 91 6.459 -12.031 9.196 670 2HG2 VAL 91 2HG2 VAL 91 6.348 -11.562 10.892 671 3HG2 VAL 91 3HG2 VAL 91 7.915 -11.975 10.187 672 H ASP 92 H ASP 92 8.210 -12.391 7.665 673 HA ASP 92 HA ASP 92 10.897 -12.268 8.496 674 1HB ASP 92 2HB ASP 92 9.717 -14.351 8.611 675 2HB ASP 92 1HB ASP 92 9.405 -14.342 6.880 676 H ILE 93 H ILE 93 9.353 -12.202 5.331 677 HA ILE 93 HA ILE 93 11.683 -12.103 3.755 678 HB ILE 93 HB ILE 93 8.847 -11.230 3.316 679 1HG1 ILE 93 2HG1 ILE 93 8.843 -12.879 1.577 680 2HG1 ILE 93 1HG1 ILE 93 10.587 -13.063 1.660 681 1HG2 ILE 93 1HG2 ILE 93 10.276 -9.490 2.318 682 2HG2 ILE 93 2HG2 ILE 93 9.335 -10.387 1.124 683 3HG2 ILE 93 3HG2 ILE 93 11.053 -10.735 1.339 684 1HD1 ILE 93 1HD1 ILE 93 10.316 -13.991 3.943 685 2HD1 ILE 93 2HD1 ILE 93 9.533 -14.952 2.683 686 3HD1 ILE 93 3HD1 ILE 93 8.567 -13.904 3.724 687 H ILE 94 H ILE 94 9.718 -9.629 5.301 688 HA ILE 94 HA ILE 94 10.916 -7.358 4.216 689 HB ILE 94 HB ILE 94 9.876 -7.578 7.042 690 1HG1 ILE 94 2HG1 ILE 94 8.389 -6.997 4.472 691 2HG1 ILE 94 1HG1 ILE 94 8.218 -8.438 5.470 692 1HG2 ILE 94 1HG2 ILE 94 11.108 -5.528 6.570 693 2HG2 ILE 94 2HG2 ILE 94 9.387 -5.193 6.766 694 3HG2 ILE 94 3HG2 ILE 94 10.098 -5.237 5.151 695 1HD1 ILE 94 1HD1 ILE 94 7.580 -5.651 6.374 696 2HD1 ILE 94 2HD1 ILE 94 7.281 -7.146 7.259 697 3HD1 ILE 94 3HD1 ILE 94 6.397 -6.810 5.770 698 H HIS 95 H HIS 95 11.742 -9.203 7.130 699 HA HIS 95 HA HIS 95 13.827 -7.444 7.951 700 1HB HIS 95 2HB HIS 95 13.630 -10.379 8.660 701 2HB HIS 95 1HB HIS 95 14.462 -9.120 9.550 702 HD1 HIS 95 1HD HIS 95 12.152 -11.069 10.587 703 HD2 HIS 95 2HD HIS 95 11.743 -7.060 9.537 704 HE1 HIS 95 1HE HIS 95 10.141 -10.237 11.850 705 HE2 HIS 95 2HE HIS 95 10.029 -7.769 11.354 706 H GLY 96 H GLY 96 13.665 -10.206 5.829 707 1HA GLY 96 2HA GLY 96 16.519 -10.638 5.895 708 2HA GLY 96 1HA GLY 96 15.348 -11.521 4.926 709 H CYS 97 H CYS 97 14.155 -9.581 3.443 710 HA CYS 97 HA CYS 97 16.267 -8.973 1.672 711 1HB CYS 97 2HB CYS 97 13.323 -8.746 1.489 712 2HB CYS 97 1HB CYS 97 14.317 -7.817 0.361 713 H GLU 98 H GLU 98 14.339 -6.912 3.909 714 HA GLU 98 HA GLU 98 15.589 -4.510 3.223 715 1HB GLU 98 2HB GLU 98 14.769 -5.575 5.920 716 2HB GLU 98 1HB GLU 98 15.571 -4.022 5.770 717 1HG GLU 98 2HG GLU 98 13.726 -3.331 4.213 718 2HG GLU 98 1HG GLU 98 12.901 -4.827 4.646 719 H LYS 99 H LYS 99 16.848 -7.259 5.055 720 HA LYS 99 HA LYS 99 19.283 -5.988 5.792 721 1HB LYS 99 2HB LYS 99 18.284 -7.910 6.992 722 2HB LYS 99 1HB LYS 99 18.637 -8.935 5.607 723 1HG LYS 99 2HG LYS 99 20.286 -9.252 7.336 724 2HG LYS 99 1HG LYS 99 21.014 -8.518 5.910 725 1HD LYS 99 2HD LYS 99 21.870 -7.460 7.918 726 2HD LYS 99 1HD LYS 99 20.900 -6.314 6.998 727 1HE LYS 99 2HE LYS 99 19.709 -7.902 9.250 728 2HE LYS 99 1HE LYS 99 20.603 -6.416 9.558 729 1HZ LYS 99 1HZ LYS 99 18.250 -5.964 9.397 730 2HZ LYS 99 2HZ LYS 99 18.176 -6.681 7.867 731 3HZ LYS 99 3HZ LYS 99 19.052 -5.249 8.082 732 H SER 100 H SER 100 18.379 -8.148 3.111 733 HA SER 100 HA SER 100 21.148 -8.092 2.163 734 1HB SER 100 2HB SER 100 18.840 -9.755 1.133 735 2HB SER 100 1HB SER 100 20.544 -9.961 0.748 736 HG SER 100 HG SER 100 19.143 -10.920 2.846 737 H ALA 101 H ALA 101 18.907 -5.937 1.814 738 HA ALA 101 HA ALA 101 18.699 -5.740 -1.060 739 1HB ALA 101 1HB ALA 101 17.835 -3.996 1.221 740 2HB ALA 101 2HB ALA 101 16.841 -4.816 0.009 741 3HB ALA 101 3HB ALA 101 17.798 -3.403 -0.437 742 HA PRO 102 HA PRO 102 22.382 -3.371 -1.823 743 1HB PRO 102 2HB PRO 102 20.903 -1.763 -3.780 744 2HB PRO 102 1HB PRO 102 22.211 -2.913 -4.052 745 1HG PRO 102 2HG PRO 102 19.679 -3.420 -4.814 746 2HG PRO 102 1HG PRO 102 20.776 -4.701 -4.264 747 1HD PRO 102 2HD PRO 102 18.584 -3.310 -2.769 748 2HD PRO 102 1HD PRO 102 19.008 -5.036 -2.792 749 HA PRO 103 HA PRO 103 22.051 0.470 0.372 750 1HB PRO 103 2HB PRO 103 24.031 1.715 -1.403 751 2HB PRO 103 1HB PRO 103 24.158 1.311 0.310 752 1HG PRO 103 2HG PRO 103 25.515 -0.042 -1.570 753 2HG PRO 103 1HG PRO 103 24.888 -0.834 -0.113 754 1HD PRO 103 2HD PRO 103 23.772 -0.825 -2.894 755 2HD PRO 103 1HD PRO 103 23.915 -2.170 -1.740 756 H ASN 104 H ASN 104 20.133 0.243 -1.772 757 HA ASN 104 HA ASN 104 20.085 2.802 -3.129 758 1HB ASN 104 2HB ASN 104 18.002 0.603 -2.965 759 2HB ASN 104 1HB ASN 104 17.871 2.039 -3.970 760 1HD2 ASN 104 1HD2 ASN 104 17.694 0.774 -5.818 761 2HD2 ASN 104 2HD2 ASN 104 19.051 -0.040 -6.511 762 H ASP 105 H ASP 105 19.930 4.381 -1.569 763 HA ASP 105 HA ASP 105 18.063 4.072 0.610 764 1HB ASP 105 2HB ASP 105 20.212 5.174 1.029 765 2HB ASP 105 1HB ASP 105 19.798 6.436 -0.128 766 H ASP 106 H ASP 106 16.029 4.043 -0.276 767 HA ASP 106 HA ASP 106 15.124 6.691 -1.155 768 1HB ASP 106 2HB ASP 106 15.256 5.048 -3.087 769 2HB ASP 106 1HB ASP 106 13.979 4.138 -2.283 770 H LYS 107 H LYS 107 14.080 7.387 0.474 771 HA LYS 107 HA LYS 107 13.085 6.454 2.692 772 1HB LYS 107 2HB LYS 107 12.889 8.772 1.968 773 2HB LYS 107 1HB LYS 107 11.544 8.345 0.924 774 1HG LYS 107 2HG LYS 107 10.183 7.791 2.842 775 2HG LYS 107 1HG LYS 107 11.545 8.093 3.924 776 1HD LYS 107 2HD LYS 107 11.596 10.428 3.261 777 2HD LYS 107 1HD LYS 107 10.301 10.148 2.097 778 1HE LYS 107 2HE LYS 107 10.084 9.841 5.090 779 2HE LYS 107 1HE LYS 107 9.464 11.195 4.145 780 1HZ LYS 107 1HZ LYS 107 7.638 9.815 4.453 781 2HZ LYS 107 2HZ LYS 107 8.524 8.397 4.187 782 3HZ LYS 107 3HZ LYS 107 8.159 9.427 2.887 783 H CYS 108 H CYS 108 10.794 6.412 -0.128 784 HA CYS 108 HA CYS 108 9.126 4.617 1.449 785 1HB CYS 108 2HB CYS 108 8.327 6.691 0.145 786 2HB CYS 108 1HB CYS 108 8.470 5.678 -1.284 787 H MET 109 H MET 109 11.542 4.225 -0.953 788 HA MET 109 HA MET 109 10.097 2.237 -2.448 789 1HB MET 109 2HB MET 109 11.309 3.583 -3.861 790 2HB MET 109 1HB MET 109 12.690 3.663 -2.777 791 1HG MET 109 2HG MET 109 13.287 1.404 -3.324 792 2HG MET 109 1HG MET 109 11.875 1.246 -4.366 793 1HE MET 109 1HE MET 109 14.912 1.306 -6.877 794 2HE MET 109 2HE MET 109 13.489 0.411 -6.352 795 3HE MET 109 3HE MET 109 14.870 0.585 -5.269 796 H LYS 110 H LYS 110 12.487 2.216 0.102 797 HA LYS 110 HA LYS 110 13.713 -0.260 -0.474 798 1HB LYS 110 2HB LYS 110 14.209 -0.454 1.943 799 2HB LYS 110 1HB LYS 110 14.729 1.067 1.241 800 1HG LYS 110 2HG LYS 110 12.079 1.018 2.540 801 2HG LYS 110 1HG LYS 110 13.481 0.820 3.592 802 1HD LYS 110 2HD LYS 110 14.359 2.879 2.186 803 2HD LYS 110 1HD LYS 110 12.628 3.146 1.965 804 1HE LYS 110 2HE LYS 110 14.097 2.919 4.587 805 2HE LYS 110 1HE LYS 110 13.407 4.383 3.891 806 1HZ LYS 110 1HZ LYS 110 11.206 3.258 4.015 807 2HZ LYS 110 2HZ LYS 110 11.911 3.578 5.521 808 3HZ LYS 110 3HZ LYS 110 11.943 2.003 4.891 809 H THR 111 H THR 111 10.984 0.465 1.582 810 HA THR 111 HA THR 111 10.155 -2.037 2.295 811 HB THR 111 HB THR 111 9.245 0.597 2.383 812 HG1 THR 111 1HG THR 111 8.901 -0.259 4.265 813 1HG2 THR 111 1HG2 THR 111 7.628 0.300 0.614 814 2HG2 THR 111 2HG2 THR 111 6.751 0.250 2.148 815 3HG2 THR 111 3HG2 THR 111 7.107 -1.248 1.292 816 H ILE 112 H ILE 112 10.375 -0.882 -0.915 817 HA ILE 112 HA ILE 112 8.124 -2.501 -1.838 818 HB ILE 112 HB ILE 112 9.676 -0.299 -3.030 819 1HG1 ILE 112 2HG1 ILE 112 7.434 0.279 -3.946 820 2HG1 ILE 112 1HG1 ILE 112 6.790 -1.160 -3.166 821 1HG2 ILE 112 1HG2 ILE 112 10.084 -2.174 -4.612 822 2HG2 ILE 112 2HG2 ILE 112 9.139 -0.862 -5.313 823 3HG2 ILE 112 3HG2 ILE 112 8.339 -2.344 -4.794 824 1HD1 ILE 112 1HD1 ILE 112 8.160 1.042 -1.665 825 2HD1 ILE 112 2HD1 ILE 112 7.190 -0.276 -1.013 826 3HD1 ILE 112 3HD1 ILE 112 6.424 1.001 -1.956 827 H ASP 113 H ASP 113 11.673 -2.200 -2.156 828 HA ASP 113 HA ASP 113 11.949 -4.461 -3.830 829 1HB ASP 113 2HB ASP 113 14.312 -4.628 -2.891 830 2HB ASP 113 1HB ASP 113 13.902 -3.167 -3.766 831 H VAL 114 H VAL 114 11.602 -4.166 -0.353 832 HA VAL 114 HA VAL 114 12.209 -6.934 0.053 833 HB VAL 114 HB VAL 114 11.805 -6.561 2.331 834 1HG1 VAL 114 1HG1 VAL 114 13.722 -5.315 1.100 835 2HG1 VAL 114 2HG1 VAL 114 13.386 -4.937 2.790 836 3HG1 VAL 114 3HG1 VAL 114 12.801 -3.869 1.514 837 1HG2 VAL 114 1HG2 VAL 114 9.671 -5.452 2.142 838 2HG2 VAL 114 2HG2 VAL 114 10.456 -3.972 1.622 839 3HG2 VAL 114 3HG2 VAL 114 10.729 -4.601 3.251 840 H ALA 115 H ALA 115 9.294 -4.949 -0.291 841 HA ALA 115 HA ALA 115 7.364 -6.930 0.221 842 1HB ALA 115 1HB ALA 115 6.955 -4.485 -0.059 843 2HB ALA 115 2HB ALA 115 5.808 -5.527 -0.892 844 3HB ALA 115 3HB ALA 115 7.088 -4.721 -1.798 845 H MET 116 H MET 116 8.856 -5.933 -2.852 846 HA MET 116 HA MET 116 7.478 -7.912 -4.337 847 1HB MET 116 2HB MET 116 8.922 -7.354 -6.218 848 2HB MET 116 1HB MET 116 8.271 -5.921 -5.462 849 1HG MET 116 2HG MET 116 10.484 -5.460 -6.087 850 2HG MET 116 1HG MET 116 10.482 -5.601 -4.341 851 1HE MET 116 1HE MET 116 13.036 -5.634 -6.253 852 2HE MET 116 2HE MET 116 14.010 -6.944 -5.586 853 3HE MET 116 3HE MET 116 13.217 -5.795 -4.507 854 H CYS 117 H CYS 117 10.214 -7.978 -2.352 855 HA CYS 117 HA CYS 117 11.421 -10.383 -3.243 856 1HB CYS 117 2HB CYS 117 12.730 -8.989 -1.863 857 2HB CYS 117 1HB CYS 117 11.452 -8.847 -0.662 858 H PHE 118 H PHE 118 8.733 -9.577 -1.217 859 HA PHE 118 HA PHE 118 8.438 -12.162 -0.079 860 1HB PHE 118 2HB PHE 118 7.454 -10.363 1.121 861 2HB PHE 118 1HB PHE 118 6.535 -9.824 -0.279 862 HD1 PHE 118 1HD PHE 118 6.916 -12.747 1.997 863 HD2 PHE 118 2HD PHE 118 4.328 -10.462 -0.488 864 HE1 PHE 118 1HE PHE 118 5.003 -14.099 2.753 865 HE2 PHE 118 2HE PHE 118 2.410 -11.805 0.263 866 HZ PHE 118 HZ PHE 118 2.747 -13.627 1.886 867 H LYS 119 H LYS 119 6.878 -10.549 -2.880 868 HA LYS 119 HA LYS 119 5.354 -12.898 -3.483 869 1HB LYS 119 2HB LYS 119 4.596 -11.849 -5.386 870 2HB LYS 119 1HB LYS 119 4.993 -10.480 -4.369 871 1HG LYS 119 2HG LYS 119 7.337 -10.941 -5.725 872 2HG LYS 119 1HG LYS 119 6.095 -11.307 -6.926 873 1HD LYS 119 2HD LYS 119 5.076 -9.129 -6.549 874 2HD LYS 119 1HD LYS 119 6.300 -8.761 -5.327 875 1HE LYS 119 2HE LYS 119 6.962 -7.723 -7.381 876 2HE LYS 119 1HE LYS 119 8.040 -9.086 -7.060 877 1HZ LYS 119 1HZ LYS 119 7.163 -8.843 -9.407 878 2HZ LYS 119 2HZ LYS 119 5.663 -9.351 -8.805 879 3HZ LYS 119 3HZ LYS 119 7.010 -10.375 -8.698 880 H LYS 120 H LYS 120 8.638 -11.836 -4.429 881 HA LYS 120 HA LYS 120 9.298 -13.929 -6.135 882 1HB LYS 120 2HB LYS 120 10.709 -12.034 -4.575 883 2HB LYS 120 1HB LYS 120 11.426 -13.607 -4.254 884 1HG LYS 120 2HG LYS 120 12.580 -12.562 -6.079 885 2HG LYS 120 1HG LYS 120 11.667 -13.947 -6.690 886 1HD LYS 120 2HD LYS 120 11.357 -12.109 -8.201 887 2HD LYS 120 1HD LYS 120 9.845 -12.377 -7.335 888 1HE LYS 120 2HE LYS 120 10.273 -10.017 -7.423 889 2HE LYS 120 1HE LYS 120 10.477 -10.569 -5.760 890 1HZ LYS 120 1HZ LYS 120 12.839 -10.531 -6.012 891 2HZ LYS 120 2HZ LYS 120 12.245 -9.033 -6.533 892 3HZ LYS 120 3HZ LYS 120 12.728 -10.191 -7.669 893 H GLU 121 H GLU 121 9.409 -13.852 -2.594 894 HA GLU 121 HA GLU 121 10.111 -16.469 -2.070 895 1HB GLU 121 2HB GLU 121 9.996 -14.706 -0.382 896 2HB GLU 121 1HB GLU 121 8.246 -14.647 -0.541 897 1HG GLU 121 2HG GLU 121 8.587 -15.880 1.380 898 2HG GLU 121 1HG GLU 121 8.286 -17.083 0.141 899 H ILE 122 H ILE 122 6.751 -15.166 -2.340 900 HA ILE 122 HA ILE 122 5.410 -17.552 -2.011 901 HB ILE 122 HB ILE 122 4.677 -14.953 -2.469 902 1HG1 ILE 122 2HG1 ILE 122 3.527 -16.809 -1.201 903 2HG1 ILE 122 1HG1 ILE 122 2.480 -15.659 -2.019 904 1HG2 ILE 122 1HG2 ILE 122 3.414 -16.414 -4.762 905 2HG2 ILE 122 2HG2 ILE 122 4.892 -15.472 -4.970 906 3HG2 ILE 122 3HG2 ILE 122 3.417 -14.686 -4.407 907 1HD1 ILE 122 1HD1 ILE 122 2.215 -17.276 -3.860 908 2HD1 ILE 122 2HD1 ILE 122 1.618 -17.879 -2.312 909 3HD1 ILE 122 3HD1 ILE 122 3.171 -18.436 -2.938 910 H HIS 123 H HIS 123 7.026 -16.308 -4.881 911 HA HIS 123 HA HIS 123 6.036 -18.288 -6.675 912 1HB HIS 123 2HB HIS 123 8.311 -16.339 -6.762 913 2HB HIS 123 1HB HIS 123 8.219 -17.618 -7.965 914 HD1 HIS 123 1HD HIS 123 7.423 -16.566 -10.042 915 HD2 HIS 123 2HD HIS 123 5.332 -15.197 -6.715 916 HE1 HIS 123 1HE HIS 123 5.666 -15.003 -10.938 917 HE2 HIS 123 2HE HIS 123 4.576 -14.014 -8.897 918 H LYS 124 H LYS 124 8.758 -18.184 -4.441 919 HA LYS 124 HA LYS 124 10.118 -20.449 -5.473 920 1HB LYS 124 2HB LYS 124 10.971 -18.501 -3.977 921 2HB LYS 124 1HB LYS 124 10.281 -19.409 -2.643 922 1HG LYS 124 2HG LYS 124 12.340 -20.537 -4.522 923 2HG LYS 124 1HG LYS 124 12.737 -19.715 -3.012 924 1HD LYS 124 2HD LYS 124 11.564 -21.353 -1.734 925 2HD LYS 124 1HD LYS 124 10.914 -22.092 -3.201 926 1HE LYS 124 2HE LYS 124 13.242 -22.657 -3.871 927 2HE LYS 124 1HE LYS 124 13.810 -22.013 -2.331 928 1HZ LYS 124 1HZ LYS 124 13.610 -24.374 -2.175 929 2HZ LYS 124 2HZ LYS 124 12.011 -24.340 -2.732 930 3HZ LYS 124 3HZ LYS 124 12.395 -23.682 -1.218 931 H LEU 125 H LEU 125 7.513 -19.857 -3.292 932 HA LEU 125 HA LEU 125 7.441 -22.410 -2.018 933 1HB LEU 125 2HB LEU 125 5.305 -20.295 -2.300 934 2HB LEU 125 1HB LEU 125 5.209 -21.685 -1.237 935 HG LEU 125 HG LEU 125 7.256 -19.475 -1.020 936 1HD1 LEU 125 1HD1 LEU 125 4.801 -20.056 0.627 937 2HD1 LEU 125 2HD1 LEU 125 5.039 -18.679 -0.448 938 3HD1 LEU 125 3HD1 LEU 125 6.025 -18.845 1.005 939 1HD2 LEU 125 1HD2 LEU 125 6.664 -21.818 0.781 940 2HD2 LEU 125 2HD2 LEU 125 7.797 -20.512 1.128 941 3HD2 LEU 125 3HD2 LEU 125 8.104 -21.609 -0.217 942 H ASN 126 H ASN 126 7.225 -22.038 -5.108 943 HA ASN 126 HA ASN 126 4.857 -22.669 -6.241 944 1HB ASN 126 2HB ASN 126 7.577 -22.880 -6.982 945 2HB ASN 126 1HB ASN 126 6.819 -24.414 -7.405 946 1HD2 ASN 126 1HD2 ASN 126 6.881 -20.989 -7.971 947 2HD2 ASN 126 2HD2 ASN 126 5.929 -21.007 -9.419 948 H TRP 127 H TRP 127 3.373 -24.148 -5.981 949 HA TRP 127 HA TRP 127 3.787 -26.383 -4.229 950 1HB TRP 127 2HB TRP 127 1.253 -26.176 -5.739 951 2HB TRP 127 1HB TRP 127 1.521 -26.357 -4.006 952 HD1 TRP 127 HD TRP 127 2.385 -23.984 -2.745 953 HE1 TRP 127 1HE TRP 127 1.602 -21.584 -3.187 954 HE3 TRP 127 3HE TRP 127 0.292 -24.643 -7.363 955 HZ2 TRP 127 2HZ TRP 127 0.246 -20.146 -5.210 956 HZ3 TRP 127 3HZ TRP 127 -0.735 -22.706 -8.481 957 HH2 TRP 127 HH TRP 127 -0.757 -20.505 -7.426 958 H VAL 128 H VAL 128 5.168 -26.504 -6.855 959 HA VAL 128 HA VAL 128 3.853 -28.384 -8.523 960 HB VAL 128 HB VAL 128 6.164 -28.792 -9.473 961 1HG1 VAL 128 1HG1 VAL 128 4.651 -27.160 -10.446 962 2HG1 VAL 128 2HG1 VAL 128 6.313 -26.572 -10.509 963 3HG1 VAL 128 3HG1 VAL 128 5.198 -25.939 -9.297 964 1HG2 VAL 128 1HG2 VAL 128 6.924 -26.613 -7.528 965 2HG2 VAL 128 2HG2 VAL 128 7.950 -27.260 -8.808 966 3HG2 VAL 128 3HG2 VAL 128 7.460 -28.292 -7.463 967 HA PRO 129 HA PRO 129 4.419 -31.975 -5.936 968 1HB PRO 129 2HB PRO 129 3.612 -33.475 -8.337 969 2HB PRO 129 1HB PRO 129 2.828 -33.380 -6.758 970 1HG PRO 129 2HG PRO 129 1.775 -32.205 -8.935 971 2HG PRO 129 1HG PRO 129 1.626 -31.494 -7.318 972 1HD PRO 129 2HD PRO 129 3.490 -30.760 -9.547 973 2HD PRO 129 1HD PRO 129 2.595 -29.703 -8.434 974 H ASN 130 H ASN 130 5.243 -32.427 -9.372 975 HA ASN 130 HA ASN 130 7.075 -33.196 -10.448 976 1HB ASN 130 2HB ASN 130 8.356 -31.571 -9.120 977 2HB ASN 130 1HB ASN 130 8.534 -32.756 -7.831 978 1HD2 ASN 130 1HD2 ASN 130 10.785 -32.646 -7.986 979 2HD2 ASN 130 2HD2 ASN 130 11.642 -33.390 -9.292 980 H MET 131 H MET 131 7.649 -34.500 -7.177 981 HA MET 131 HA MET 131 7.756 -37.177 -8.393 982 1HB MET 131 2HB MET 131 8.927 -36.194 -5.784 983 2HB MET 131 1HB MET 131 9.051 -37.836 -6.397 984 1HG MET 131 2HG MET 131 10.202 -35.370 -7.680 985 2HG MET 131 1HG MET 131 11.097 -36.602 -6.791 986 1HE MET 131 1HE MET 131 12.256 -37.149 -10.492 987 2HE MET 131 2HE MET 131 12.755 -36.769 -8.844 988 3HE MET 131 3HE MET 131 11.822 -35.598 -9.776 989 H ASP 132 H ASP 132 7.150 -38.945 -6.730 990 HA ASP 132 HA ASP 132 4.535 -38.192 -5.624 991 1HB ASP 132 2HB ASP 132 5.607 -40.918 -6.383 992 2HB ASP 132 1HB ASP 132 3.993 -40.598 -5.754 993 H LEU 133 H LEU 133 3.973 -40.022 -3.830 994 HA LEU 133 HA LEU 133 4.168 -40.463 -1.616 995 1HB LEU 133 2HB LEU 133 6.917 -41.148 -2.615 996 2HB LEU 133 1HB LEU 133 6.506 -41.321 -0.923 997 HG LEU 133 HG LEU 133 4.656 -42.876 -1.605 998 1HD1 LEU 133 1HD1 LEU 133 4.385 -42.165 -3.916 999 2HD1 LEU 133 2HD1 LEU 133 4.767 -43.885 -3.828 1000 3HD1 LEU 133 3HD1 LEU 133 6.013 -42.725 -4.291 1001 1HD2 LEU 133 1HD2 LEU 133 7.455 -43.662 -2.399 1002 2HD2 LEU 133 2HD2 LEU 133 6.142 -44.769 -2.000 1003 3HD2 LEU 133 3HD2 LEU 133 6.793 -43.691 -0.766 1004 H VAL 134 H VAL 134 3.819 -38.083 -1.400 1005 HA VAL 134 HA VAL 134 6.140 -36.491 -0.792 1006 HB VAL 134 HB VAL 134 4.397 -35.369 -1.977 1007 1HG1 VAL 134 1HG1 VAL 134 2.147 -35.023 -1.059 1008 2HG1 VAL 134 2HG1 VAL 134 2.547 -36.079 0.294 1009 3HG1 VAL 134 3HG1 VAL 134 2.494 -36.728 -1.344 1010 1HG2 VAL 134 1HG2 VAL 134 3.943 -33.452 -0.520 1011 2HG2 VAL 134 2HG2 VAL 134 5.614 -33.996 -0.386 1012 3HG2 VAL 134 3HG2 VAL 134 4.452 -34.400 0.878 1013 H ILE 135 H ILE 135 7.092 -37.248 0.989 1014 HA ILE 135 HA ILE 135 7.583 -37.487 3.180 1015 HB ILE 135 HB ILE 135 5.128 -35.824 3.772 1016 1HG1 ILE 135 2HG1 ILE 135 6.466 -34.580 2.189 1017 2HG1 ILE 135 1HG1 ILE 135 6.707 -33.884 3.786 1018 1HG2 ILE 135 1HG2 ILE 135 7.672 -36.274 5.328 1019 2HG2 ILE 135 2HG2 ILE 135 6.080 -36.925 5.717 1020 3HG2 ILE 135 3HG2 ILE 135 6.364 -35.186 5.792 1021 1HD1 ILE 135 1HD1 ILE 135 8.591 -35.752 2.367 1022 2HD1 ILE 135 2HD1 ILE 135 8.834 -35.069 3.974 1023 3HD1 ILE 135 3HD1 ILE 135 8.792 -34.011 2.563 1024 H GLY 136 H GLY 136 7.125 -39.732 3.032 1025 1HA GLY 136 2HA GLY 136 4.681 -40.476 4.517 1026 2HA GLY 136 1HA GLY 136 5.270 -41.423 3.159 1027 H GLU 137 H GLU 137 5.876 -40.462 6.474 1028 HA GLU 137 HA GLU 137 7.546 -42.876 6.747 1029 1HB GLU 137 2HB GLU 137 8.865 -40.726 6.873 1030 2HB GLU 137 1HB GLU 137 7.941 -40.322 8.313 1031 1HG GLU 137 2HG GLU 137 8.781 -42.380 9.386 1032 2HG GLU 137 1HG GLU 137 9.776 -42.681 7.961 1033 H VAL 138 H VAL 138 6.176 -44.253 7.699 1034 HA VAL 138 HA VAL 138 4.891 -43.354 10.189 1035 HB VAL 138 HB VAL 138 3.133 -43.506 8.539 1036 1HG1 VAL 138 1HG1 VAL 138 4.043 -46.337 8.054 1037 2HG1 VAL 138 2HG1 VAL 138 4.214 -44.984 6.935 1038 3HG1 VAL 138 3HG1 VAL 138 2.609 -45.581 7.360 1039 1HG2 VAL 138 1HG2 VAL 138 3.086 -45.872 10.408 1040 2HG2 VAL 138 2HG2 VAL 138 1.679 -45.195 9.588 1041 3HG2 VAL 138 3HG2 VAL 138 2.555 -44.230 10.777 1042 H LEU 139 H LEU 139 5.412 -44.516 11.900 1043 HA LEU 139 HA LEU 139 6.917 -46.979 11.553 1044 1HB LEU 139 2HB LEU 139 7.733 -45.262 13.112 1045 2HB LEU 139 1HB LEU 139 6.258 -45.407 14.048 1046 HG LEU 139 HG LEU 139 6.853 -47.745 14.591 1047 1HD1 LEU 139 1HD1 LEU 139 9.112 -48.551 14.103 1048 2HD1 LEU 139 2HD1 LEU 139 9.422 -47.100 13.150 1049 3HD1 LEU 139 3HD1 LEU 139 8.195 -48.253 12.626 1050 1HD2 LEU 139 1HD2 LEU 139 8.958 -45.693 15.263 1051 2HD2 LEU 139 2HD2 LEU 139 8.694 -47.208 16.126 1052 3HD2 LEU 139 3HD2 LEU 139 7.445 -45.960 16.129 1053 H ALA 140 H ALA 140 4.319 -45.990 13.768 1054 HA ALA 140 HA ALA 140 2.479 -47.019 14.569 1055 1HB ALA 140 1HB ALA 140 1.903 -47.431 12.225 1056 2HB ALA 140 2HB ALA 140 1.352 -48.733 13.282 1057 3HB ALA 140 3HB ALA 140 2.789 -48.956 12.283 1058 H GLU 141 H GLU 141 2.253 -48.234 16.308 1059 HA GLU 141 HA GLU 141 4.330 -50.101 17.013 1060 1HB GLU 141 2HB GLU 141 3.107 -50.306 19.151 1061 2HB GLU 141 1HB GLU 141 3.440 -48.633 18.731 1062 1HG GLU 141 2HG GLU 141 1.137 -48.383 17.931 1063 2HG GLU 141 1HG GLU 141 0.809 -50.055 18.383 1064 H VAL 142 H VAL 142 1.076 -50.223 15.815 1065 HA VAL 142 HA VAL 142 1.326 -53.069 15.382 1066 HB VAL 142 HB VAL 142 0.349 -53.079 17.595 1067 1HG1 VAL 142 1HG1 VAL 142 -1.841 -51.344 16.468 1068 2HG1 VAL 142 2HG1 VAL 142 -0.613 -50.849 17.633 1069 3HG1 VAL 142 3HG1 VAL 142 -1.819 -52.056 18.081 1070 1HG2 VAL 142 1HG2 VAL 142 -1.673 -53.750 15.463 1071 2HG2 VAL 142 2HG2 VAL 142 -1.751 -54.295 17.138 1072 3HG2 VAL 142 3HG2 VAL 142 -0.417 -54.811 16.104 Start of MODEL 14 1 1H SER 1 1HT SER 1 -3.798 -16.143 -1.433 2 2H SER 1 2HT SER 1 -5.098 -16.925 -2.191 3 3H SER 1 3HT SER 1 -4.280 -17.685 -0.926 4 HA SER 1 HA SER 1 -6.439 -16.777 -0.257 5 1HB SER 1 2HB SER 1 -4.583 -17.105 1.365 6 2HB SER 1 1HB SER 1 -4.036 -15.460 1.046 7 HG SER 1 HG SER 1 -5.418 -15.752 2.938 8 HA PRO 2 HA PRO 2 -7.160 -12.873 -2.409 9 1HB PRO 2 2HB PRO 2 -9.864 -13.186 -1.290 10 2HB PRO 2 1HB PRO 2 -9.357 -13.066 -2.977 11 1HG PRO 2 2HG PRO 2 -10.248 -15.374 -1.936 12 2HG PRO 2 1HG PRO 2 -8.965 -15.333 -3.160 13 1HD PRO 2 2HD PRO 2 -8.744 -15.694 -0.192 14 2HD PRO 2 1HD PRO 2 -7.879 -16.535 -1.497 15 H GLU 3 H GLU 3 -7.697 -13.696 0.889 16 HA GLU 3 HA GLU 3 -8.677 -11.483 2.111 17 1HB GLU 3 2HB GLU 3 -6.345 -13.133 3.088 18 2HB GLU 3 1HB GLU 3 -7.380 -12.120 4.086 19 1HG GLU 3 2HG GLU 3 -8.233 -14.560 2.546 20 2HG GLU 3 1HG GLU 3 -7.981 -14.459 4.289 21 H ILE 4 H ILE 4 -5.129 -11.991 1.823 22 HA ILE 4 HA ILE 4 -4.717 -9.228 2.447 23 HB ILE 4 HB ILE 4 -3.237 -11.137 3.238 24 1HG1 ILE 4 2HG1 ILE 4 -1.204 -9.775 3.181 25 2HG1 ILE 4 1HG1 ILE 4 -1.874 -8.809 1.870 26 1HG2 ILE 4 1HG2 ILE 4 -2.934 -12.323 1.161 27 2HG2 ILE 4 2HG2 ILE 4 -1.370 -11.756 1.744 28 3HG2 ILE 4 3HG2 ILE 4 -2.178 -10.909 0.427 29 1HD1 ILE 4 1HD1 ILE 4 -3.079 -9.006 4.625 30 2HD1 ILE 4 2HD1 ILE 4 -3.575 -7.929 3.317 31 3HD1 ILE 4 3HD1 ILE 4 -2.002 -7.718 4.085 32 H MET 5 H MET 5 -5.313 -10.895 -0.390 33 HA MET 5 HA MET 5 -3.698 -9.351 -2.172 34 1HB MET 5 2HB MET 5 -6.017 -11.230 -2.537 35 2HB MET 5 1HB MET 5 -5.310 -10.358 -3.897 36 1HG MET 5 2HG MET 5 -3.952 -12.358 -2.103 37 2HG MET 5 1HG MET 5 -4.389 -12.570 -3.797 38 1HE MET 5 1HE MET 5 -3.239 -11.181 -5.789 39 2HE MET 5 2HE MET 5 -1.949 -10.004 -5.532 40 3HE MET 5 3HE MET 5 -3.579 -9.668 -4.947 41 H LYS 6 H LYS 6 -6.789 -9.048 -0.666 42 HA LYS 6 HA LYS 6 -7.473 -6.704 -2.252 43 1HB LYS 6 2HB LYS 6 -8.869 -8.052 0.067 44 2HB LYS 6 1HB LYS 6 -9.457 -6.592 -0.713 45 1HG LYS 6 2HG LYS 6 -9.627 -7.834 -2.836 46 2HG LYS 6 1HG LYS 6 -9.122 -9.297 -1.988 47 1HD LYS 6 2HD LYS 6 -11.072 -9.241 -0.599 48 2HD LYS 6 1HD LYS 6 -11.539 -7.661 -1.231 49 1HE LYS 6 2HE LYS 6 -11.747 -8.707 -3.484 50 2HE LYS 6 1HE LYS 6 -11.449 -10.273 -2.733 51 1HZ LYS 6 1HZ LYS 6 -13.442 -10.093 -1.482 52 2HZ LYS 6 2HZ LYS 6 -13.832 -9.711 -3.091 53 3HZ LYS 6 3HZ LYS 6 -13.672 -8.476 -1.941 54 H ASN 7 H ASN 7 -6.555 -4.843 -1.756 55 HA ASN 7 HA ASN 7 -4.990 -4.419 0.531 56 1HB ASN 7 2HB ASN 7 -6.168 -2.424 -1.408 57 2HB ASN 7 1HB ASN 7 -4.996 -2.014 -0.162 58 1HD2 ASN 7 1HD2 ASN 7 -4.787 -1.754 -3.029 59 2HD2 ASN 7 2HD2 ASN 7 -3.411 -2.690 -3.504 60 H LEU 8 H LEU 8 -5.352 -3.479 2.437 61 HA LEU 8 HA LEU 8 -7.853 -3.457 3.619 62 1HB LEU 8 2HB LEU 8 -5.504 -1.735 4.412 63 2HB LEU 8 1HB LEU 8 -6.804 -2.288 5.453 64 HG LEU 8 HG LEU 8 -4.803 -4.115 4.125 65 1HD1 LEU 8 1HD1 LEU 8 -4.888 -3.060 6.943 66 2HD1 LEU 8 2HD1 LEU 8 -3.668 -2.701 5.723 67 3HD1 LEU 8 3HD1 LEU 8 -3.821 -4.337 6.366 68 1HD2 LEU 8 1HD2 LEU 8 -5.670 -5.787 5.679 69 2HD2 LEU 8 2HD2 LEU 8 -6.945 -5.173 4.624 70 3HD2 LEU 8 3HD2 LEU 8 -6.837 -4.616 6.294 71 H SER 9 H SER 9 -6.080 -0.842 2.053 72 HA SER 9 HA SER 9 -7.838 1.260 2.710 73 1HB SER 9 2HB SER 9 -6.741 2.373 0.694 74 2HB SER 9 1HB SER 9 -5.652 1.826 1.968 75 HG SER 9 HG SER 9 -4.694 0.728 0.465 76 H ASN 10 H ASN 10 -7.797 -1.090 0.109 77 HA ASN 10 HA ASN 10 -9.829 0.148 -1.463 78 1HB ASN 10 2HB ASN 10 -8.257 -1.412 -2.489 79 2HB ASN 10 1HB ASN 10 -8.820 -2.708 -1.439 80 1HD2 ASN 10 1HD2 ASN 10 -9.564 -0.719 -4.193 81 2HD2 ASN 10 2HD2 ASN 10 -10.892 -1.661 -4.765 82 H ASN 11 H ASN 11 -9.772 -2.218 1.121 83 HA ASN 11 HA ASN 11 -12.504 -2.969 0.959 84 1HB ASN 11 2HB ASN 11 -10.568 -3.025 3.284 85 2HB ASN 11 1HB ASN 11 -12.188 -3.712 3.339 86 1HD2 ASN 11 1HD2 ASN 11 -9.606 -5.006 3.665 87 2HD2 ASN 11 2HD2 ASN 11 -9.535 -6.254 2.456 88 H PHE 12 H PHE 12 -10.843 -0.793 3.266 89 HA PHE 12 HA PHE 12 -12.953 0.580 4.306 90 1HB PHE 12 2HB PHE 12 -10.259 1.589 3.438 91 2HB PHE 12 1HB PHE 12 -11.435 2.666 4.183 92 HD1 PHE 12 1HD PHE 12 -12.462 1.773 6.438 93 HD2 PHE 12 2HD PHE 12 -8.751 0.504 4.790 94 HE1 PHE 12 1HE PHE 12 -11.722 1.052 8.672 95 HE2 PHE 12 2HE PHE 12 -8.004 -0.223 7.019 96 HZ PHE 12 HZ PHE 12 -9.491 0.050 8.966 97 H GLY 13 H GLY 13 -11.262 1.992 1.429 98 1HA GLY 13 2HA GLY 13 -12.067 3.323 -0.244 99 2HA GLY 13 1HA GLY 13 -13.459 2.256 -0.219 100 H LYS 14 H LYS 14 -12.457 4.453 2.388 101 HA LYS 14 HA LYS 14 -15.098 5.594 2.426 102 1HB LYS 14 2HB LYS 14 -12.683 6.419 4.053 103 2HB LYS 14 1HB LYS 14 -14.370 6.770 4.405 104 1HG LYS 14 2HG LYS 14 -14.750 4.308 4.630 105 2HG LYS 14 1HG LYS 14 -13.004 4.093 4.499 106 1HD LYS 14 2HD LYS 14 -13.566 4.098 6.819 107 2HD LYS 14 1HD LYS 14 -12.753 5.624 6.462 108 1HE LYS 14 2HE LYS 14 -14.715 5.933 7.906 109 2HE LYS 14 1HE LYS 14 -14.888 6.771 6.363 110 1HZ LYS 14 1HZ LYS 14 -16.912 5.571 7.064 111 2HZ LYS 14 2HZ LYS 14 -16.063 4.104 6.960 112 3HZ LYS 14 3HZ LYS 14 -16.318 5.042 5.569 113 H ALA 15 H ALA 15 -11.806 6.805 1.911 114 HA ALA 15 HA ALA 15 -12.715 8.604 -0.128 115 1HB ALA 15 1HB ALA 15 -11.993 10.663 0.902 116 2HB ALA 15 2HB ALA 15 -11.504 9.800 2.361 117 3HB ALA 15 3HB ALA 15 -13.210 9.894 1.923 118 H MET 16 H MET 16 -11.259 7.956 -1.599 119 HA MET 16 HA MET 16 -8.512 7.426 -0.917 120 1HB MET 16 2HB MET 16 -9.853 7.734 -3.613 121 2HB MET 16 1HB MET 16 -8.205 7.172 -3.362 122 1HG MET 16 2HG MET 16 -9.034 5.229 -2.157 123 2HG MET 16 1HG MET 16 -10.690 5.800 -2.351 124 1HE MET 16 1HE MET 16 -11.112 5.580 -6.263 125 2HE MET 16 2HE MET 16 -10.533 6.968 -5.343 126 3HE MET 16 3HE MET 16 -11.894 6.019 -4.743 127 H ASP 17 H ASP 17 -10.451 10.059 -1.800 128 HA ASP 17 HA ASP 17 -8.704 11.862 -2.984 129 1HB ASP 17 2HB ASP 17 -11.101 12.200 -2.905 130 2HB ASP 17 1HB ASP 17 -11.056 12.333 -1.152 131 H GLN 18 H GLN 18 -8.963 10.893 0.353 132 HA GLN 18 HA GLN 18 -7.503 13.198 1.325 133 1HB GLN 18 2HB GLN 18 -7.743 12.241 3.518 134 2HB GLN 18 1HB GLN 18 -9.279 12.070 2.680 135 1HG GLN 18 2HG GLN 18 -8.669 9.720 2.161 136 2HG GLN 18 1HG GLN 18 -7.220 9.927 3.142 137 1HE2 GLN 18 1HE2 GLN 18 -7.417 10.125 5.362 138 2HE2 GLN 18 2HE2 GLN 18 -8.853 9.670 6.204 139 H CYS 19 H CYS 19 -6.847 9.949 0.323 140 HA CYS 19 HA CYS 19 -4.167 9.857 1.293 141 1HB CYS 19 2HB CYS 19 -5.424 8.307 -0.986 142 2HB CYS 19 1HB CYS 19 -3.895 7.935 -0.199 143 H LYS 20 H LYS 20 -5.812 11.085 -1.483 144 HA LYS 20 HA LYS 20 -3.656 11.536 -3.188 145 1HB LYS 20 2HB LYS 20 -5.845 11.665 -4.089 146 2HB LYS 20 1HB LYS 20 -6.341 12.851 -2.898 147 1HG LYS 20 2HG LYS 20 -6.098 13.926 -5.019 148 2HG LYS 20 1HG LYS 20 -4.821 14.489 -3.945 149 1HD LYS 20 2HD LYS 20 -3.215 13.036 -5.040 150 2HD LYS 20 1HD LYS 20 -4.488 12.353 -6.057 151 1HE LYS 20 2HE LYS 20 -4.885 14.544 -7.045 152 2HE LYS 20 1HE LYS 20 -3.638 15.251 -6.023 153 1HZ LYS 20 1HZ LYS 20 -2.697 14.891 -8.133 154 2HZ LYS 20 2HZ LYS 20 -3.303 13.312 -8.238 155 3HZ LYS 20 3HZ LYS 20 -2.058 13.674 -7.140 156 H ASP 21 H ASP 21 -5.268 13.681 -0.904 157 HA ASP 21 HA ASP 21 -3.545 15.878 -1.403 158 1HB ASP 21 2HB ASP 21 -5.845 16.107 -0.521 159 2HB ASP 21 1HB ASP 21 -5.318 15.385 0.996 160 H GLU 22 H GLU 22 -3.576 13.407 1.151 161 HA GLU 22 HA GLU 22 -1.619 14.736 2.747 162 1HB GLU 22 2HB GLU 22 -2.742 11.952 2.793 163 2HB GLU 22 1HB GLU 22 -1.413 12.409 3.840 164 1HG GLU 22 2HG GLU 22 -4.070 13.796 3.784 165 2HG GLU 22 1HG GLU 22 -3.634 12.516 4.909 166 H LEU 23 H LEU 23 -1.450 12.142 0.332 167 HA LEU 23 HA LEU 23 1.368 11.737 0.830 168 1HB LEU 23 2HB LEU 23 -0.316 10.677 -1.438 169 2HB LEU 23 1HB LEU 23 1.281 10.118 -0.984 170 HG LEU 23 HG LEU 23 -1.347 9.618 0.336 171 1HD1 LEU 23 1HD1 LEU 23 -0.433 7.958 -1.190 172 2HD1 LEU 23 2HD1 LEU 23 -0.468 7.347 0.464 173 3HD1 LEU 23 3HD1 LEU 23 1.052 7.895 -0.244 174 1HD2 LEU 23 1HD2 LEU 23 0.239 10.707 1.939 175 2HD2 LEU 23 2HD2 LEU 23 1.258 9.267 1.776 176 3HD2 LEU 23 3HD2 LEU 23 -0.385 9.122 2.413 177 H SER 24 H SER 24 -0.501 13.852 -0.963 178 HA SER 24 HA SER 24 -0.167 15.274 -2.699 179 1HB SER 24 2HB SER 24 2.751 14.917 -1.955 180 2HB SER 24 1HB SER 24 2.093 16.218 -2.949 181 HG SER 24 HG SER 24 0.825 15.943 -0.533 182 H LEU 25 H LEU 25 -0.649 12.731 -3.349 183 HA LEU 25 HA LEU 25 1.262 11.334 -4.863 184 1HB LEU 25 2HB LEU 25 -1.735 11.320 -5.124 185 2HB LEU 25 1HB LEU 25 -0.699 10.279 -6.050 186 HG LEU 25 HG LEU 25 -1.047 10.171 -3.037 187 1HD1 LEU 25 1HD1 LEU 25 -2.918 9.324 -4.413 188 2HD1 LEU 25 2HD1 LEU 25 -2.128 8.098 -3.424 189 3HD1 LEU 25 3HD1 LEU 25 -1.796 8.186 -5.155 190 1HD2 LEU 25 1HD2 LEU 25 0.385 8.237 -3.114 191 2HD2 LEU 25 2HD2 LEU 25 1.249 9.641 -3.742 192 3HD2 LEU 25 3HD2 LEU 25 0.602 8.435 -4.853 193 HA PRO 26 HA PRO 26 1.405 13.909 -8.566 194 1HB PRO 26 2HB PRO 26 2.671 11.545 -9.783 195 2HB PRO 26 1HB PRO 26 3.312 13.178 -9.593 196 1HG PRO 26 2HG PRO 26 4.258 11.123 -8.154 197 2HG PRO 26 1HG PRO 26 4.127 12.756 -7.473 198 1HD PRO 26 2HD PRO 26 2.323 10.402 -7.092 199 2HD PRO 26 1HD PRO 26 2.902 11.562 -5.904 200 H ASP 27 H ASP 27 0.420 13.801 -10.698 201 HA ASP 27 HA ASP 27 -2.081 12.541 -10.694 202 1HB ASP 27 2HB ASP 27 -0.546 13.617 -13.039 203 2HB ASP 27 1HB ASP 27 -2.246 13.153 -13.040 204 H SER 28 H SER 28 0.986 11.546 -12.000 205 HA SER 28 HA SER 28 0.020 9.460 -13.656 206 1HB SER 28 2HB SER 28 2.784 9.679 -12.455 207 2HB SER 28 1HB SER 28 2.323 8.896 -13.966 208 HG SER 28 HG SER 28 1.652 11.037 -14.685 209 H VAL 29 H VAL 29 1.227 9.570 -10.333 210 HA VAL 29 HA VAL 29 1.440 6.743 -10.092 211 HB VAL 29 HB VAL 29 1.303 8.723 -7.835 212 1HG1 VAL 29 1HG1 VAL 29 2.725 6.957 -6.756 213 2HG1 VAL 29 2HG1 VAL 29 2.339 5.911 -8.115 214 3HG1 VAL 29 3HG1 VAL 29 1.055 6.494 -7.056 215 1HG2 VAL 29 1HG2 VAL 29 3.708 7.783 -9.399 216 2HG2 VAL 29 2HG2 VAL 29 3.748 8.787 -7.950 217 3HG2 VAL 29 3HG2 VAL 29 3.021 9.407 -9.432 218 H VAL 30 H VAL 30 -0.858 9.107 -8.659 219 HA VAL 30 HA VAL 30 -2.461 7.134 -7.465 220 HB VAL 30 HB VAL 30 -2.796 9.285 -6.635 221 1HG1 VAL 30 1HG1 VAL 30 -2.165 10.856 -8.075 222 2HG1 VAL 30 2HG1 VAL 30 -3.909 11.014 -8.296 223 3HG1 VAL 30 3HG1 VAL 30 -2.946 10.099 -9.461 224 1HG2 VAL 30 1HG2 VAL 30 -5.183 9.725 -6.915 225 2HG2 VAL 30 2HG2 VAL 30 -4.847 8.007 -6.702 226 3HG2 VAL 30 3HG2 VAL 30 -5.215 8.640 -8.306 227 H ALA 31 H ALA 31 -2.375 8.405 -10.730 228 HA ALA 31 HA ALA 31 -4.749 7.241 -11.706 229 1HB ALA 31 1HB ALA 31 -2.166 7.647 -13.173 230 2HB ALA 31 2HB ALA 31 -3.361 8.920 -12.891 231 3HB ALA 31 3HB ALA 31 -3.777 7.519 -13.885 232 H ASP 32 H ASP 32 -1.386 6.022 -11.775 233 HA ASP 32 HA ASP 32 -2.127 3.566 -13.022 234 1HB ASP 32 2HB ASP 32 0.378 4.718 -11.928 235 2HB ASP 32 1HB ASP 32 0.296 2.963 -12.046 236 H LEU 33 H LEU 33 -1.432 4.519 -9.701 237 HA LEU 33 HA LEU 33 -1.531 1.924 -8.627 238 1HB LEU 33 2HB LEU 33 -1.643 2.855 -6.484 239 2HB LEU 33 1HB LEU 33 -0.695 3.969 -7.435 240 HG LEU 33 HG LEU 33 -2.987 5.279 -7.632 241 1HD1 LEU 33 1HD1 LEU 33 -4.442 5.033 -5.842 242 2HD1 LEU 33 2HD1 LEU 33 -3.376 3.915 -4.997 243 3HD1 LEU 33 3HD1 LEU 33 -4.207 3.406 -6.470 244 1HD2 LEU 33 1HD2 LEU 33 -0.957 6.126 -6.602 245 2HD2 LEU 33 2HD2 LEU 33 -1.294 5.194 -5.143 246 3HD2 LEU 33 3HD2 LEU 33 -2.366 6.511 -5.615 247 H TYR 34 H TYR 34 -4.136 4.199 -9.393 248 HA TYR 34 HA TYR 34 -6.250 2.689 -8.329 249 1HB TYR 34 2HB TYR 34 -6.085 4.660 -10.572 250 2HB TYR 34 1HB TYR 34 -7.595 3.824 -10.234 251 HD1 TYR 34 1HD TYR 34 -6.522 3.871 -7.113 252 HD2 TYR 34 2HD TYR 34 -7.514 6.720 -10.112 253 HE1 TYR 34 1HE TYR 34 -7.033 5.521 -5.367 254 HE2 TYR 34 2HE TYR 34 -8.031 8.380 -8.372 255 HH TYR 34 HH TYR 34 -7.154 7.928 -5.108 256 H ASN 35 H ASN 35 -4.246 1.148 -10.432 257 HA ASN 35 HA ASN 35 -6.044 0.255 -12.436 258 1HB ASN 35 2HB ASN 35 -3.368 -0.681 -11.457 259 2HB ASN 35 1HB ASN 35 -4.300 -1.687 -12.561 260 1HD2 ASN 35 1HD2 ASN 35 -1.743 -0.284 -12.929 261 2HD2 ASN 35 2HD2 ASN 35 -1.959 0.737 -14.304 262 H PHE 36 H PHE 36 -7.826 -0.855 -12.012 263 HA PHE 36 HA PHE 36 -7.990 -2.574 -9.689 264 1HB PHE 36 2HB PHE 36 -10.005 -1.931 -11.850 265 2HB PHE 36 1HB PHE 36 -10.336 -2.968 -10.466 266 HD1 PHE 36 1HD PHE 36 -10.397 0.342 -11.709 267 HD2 PHE 36 2HD PHE 36 -9.957 -1.922 -8.132 268 HE1 PHE 36 1HE PHE 36 -11.023 2.320 -10.385 269 HE2 PHE 36 2HE PHE 36 -10.583 0.052 -6.801 270 HZ PHE 36 HZ PHE 36 -11.118 2.176 -7.929 271 H TRP 37 H TRP 37 -6.809 -2.917 -12.734 272 HA TRP 37 HA TRP 37 -7.572 -5.703 -13.090 273 1HB TRP 37 2HB TRP 37 -5.615 -4.053 -14.711 274 2HB TRP 37 1HB TRP 37 -6.336 -5.592 -15.171 275 HD1 TRP 37 HD TRP 37 -8.943 -5.545 -15.920 276 HE1 TRP 37 1HE TRP 37 -10.387 -3.637 -16.885 277 HE3 TRP 37 3HE TRP 37 -6.008 -1.568 -14.608 278 HZ2 TRP 37 2HZ TRP 37 -10.284 -0.825 -17.059 279 HZ3 TRP 37 3HZ TRP 37 -6.754 0.698 -15.213 280 HH2 TRP 37 HH TRP 37 -8.849 1.060 -16.414 281 H LYS 38 H LYS 38 -6.086 -7.427 -12.922 282 HA LYS 38 HA LYS 38 -3.953 -6.893 -11.042 283 1HB LYS 38 2HB LYS 38 -3.695 -9.425 -11.105 284 2HB LYS 38 1HB LYS 38 -5.197 -8.790 -10.459 285 1HG LYS 38 2HG LYS 38 -6.194 -9.182 -12.755 286 2HG LYS 38 1HG LYS 38 -4.730 -10.100 -13.120 287 1HD LYS 38 2HD LYS 38 -6.553 -10.654 -10.782 288 2HD LYS 38 1HD LYS 38 -6.626 -11.505 -12.325 289 1HE LYS 38 2HE LYS 38 -4.126 -11.375 -10.660 290 2HE LYS 38 1HE LYS 38 -5.339 -12.638 -10.449 291 1HZ LYS 38 1HZ LYS 38 -3.536 -13.324 -11.925 292 2HZ LYS 38 2HZ LYS 38 -3.899 -12.053 -12.985 293 3HZ LYS 38 3HZ LYS 38 -5.025 -13.297 -12.733 294 H ASP 39 H ASP 39 -3.203 -5.564 -13.009 295 HA ASP 39 HA ASP 39 -1.961 -6.392 -15.234 296 1HB ASP 39 2HB ASP 39 -2.068 -4.067 -14.136 297 2HB ASP 39 1HB ASP 39 -0.509 -4.484 -13.432 298 H ASP 40 H ASP 40 -0.379 -6.759 -11.999 299 HA ASP 40 HA ASP 40 1.218 -8.218 -11.330 300 1HB ASP 40 2HB ASP 40 1.102 -9.173 -14.185 301 2HB ASP 40 1HB ASP 40 2.325 -9.760 -13.065 302 H TYR 41 H TYR 41 1.613 -5.496 -12.431 303 HA TYR 41 HA TYR 41 4.251 -5.534 -13.551 304 1HB TYR 41 2HB TYR 41 4.183 -3.091 -13.388 305 2HB TYR 41 1HB TYR 41 2.752 -3.728 -14.172 306 HD1 TYR 41 1HD TYR 41 2.227 -1.191 -13.615 307 HD2 TYR 41 2HD TYR 41 2.379 -4.300 -10.714 308 HE1 TYR 41 1HE TYR 41 0.840 0.160 -12.100 309 HE2 TYR 41 2HE TYR 41 0.990 -2.958 -9.195 310 HH TYR 41 HH TYR 41 -0.652 -0.141 -10.194 311 H VAL 42 H VAL 42 5.922 -3.987 -12.426 312 HA VAL 42 HA VAL 42 6.188 -4.901 -9.656 313 HB VAL 42 HB VAL 42 8.287 -3.506 -11.329 314 1HG1 VAL 42 1HG1 VAL 42 8.574 -3.425 -8.874 315 2HG1 VAL 42 2HG1 VAL 42 9.848 -4.336 -9.682 316 3HG1 VAL 42 3HG1 VAL 42 8.555 -5.189 -8.839 317 1HG2 VAL 42 1HG2 VAL 42 7.706 -5.568 -12.444 318 2HG2 VAL 42 2HG2 VAL 42 7.833 -6.462 -10.930 319 3HG2 VAL 42 3HG2 VAL 42 9.274 -5.751 -11.658 320 H MET 43 H MET 43 5.801 -3.529 -8.038 321 HA MET 43 HA MET 43 5.057 -0.817 -8.625 322 1HB MET 43 2HB MET 43 3.832 -2.192 -6.977 323 2HB MET 43 1HB MET 43 5.270 -2.241 -5.967 324 1HG MET 43 2HG MET 43 5.145 0.107 -5.558 325 2HG MET 43 1HG MET 43 3.851 0.294 -6.740 326 1HE MET 43 1HE MET 43 2.070 -2.281 -6.142 327 2HE MET 43 2HE MET 43 1.405 -0.671 -6.416 328 3HE MET 43 3HE MET 43 0.896 -1.608 -5.011 329 H THR 44 H THR 44 6.868 0.263 -9.277 330 HA THR 44 HA THR 44 9.229 0.270 -7.570 331 HB THR 44 HB THR 44 10.003 1.840 -9.536 332 HG1 THR 44 1HG THR 44 8.882 1.242 -11.489 333 1HG2 THR 44 1HG2 THR 44 9.585 -1.126 -9.938 334 2HG2 THR 44 2HG2 THR 44 10.919 -0.392 -9.049 335 3HG2 THR 44 3HG2 THR 44 10.759 -0.118 -10.784 336 H ASP 45 H ASP 45 6.594 2.354 -8.552 337 HA ASP 45 HA ASP 45 7.810 4.785 -7.688 338 1HB ASP 45 2HB ASP 45 5.846 4.559 -9.323 339 2HB ASP 45 1HB ASP 45 4.842 4.390 -7.889 340 H ARG 46 H ARG 46 7.672 5.876 -5.921 341 HA ARG 46 HA ARG 46 7.551 4.247 -3.571 342 1HB ARG 46 2HB ARG 46 8.184 7.171 -4.005 343 2HB ARG 46 1HB ARG 46 8.280 6.372 -2.456 344 1HG ARG 46 2HG ARG 46 10.479 6.522 -3.336 345 2HG ARG 46 1HG ARG 46 9.999 4.826 -3.415 346 1HD ARG 46 2HD ARG 46 9.330 5.305 -5.824 347 2HD ARG 46 1HD ARG 46 10.181 6.839 -5.647 348 HE ARG 46 HE ARG 46 11.400 4.165 -5.568 349 1HH1 ARG 46 1HH1 ARG 46 11.751 7.643 -5.686 350 2HH1 ARG 46 2HH1 ARG 46 13.399 7.584 -6.227 351 1HH2 ARG 46 1HH2 ARG 46 13.575 4.085 -6.249 352 2HH2 ARG 46 2HH2 ARG 46 14.441 5.565 -6.553 353 H LEU 47 H LEU 47 5.596 6.649 -5.112 354 HA LEU 47 HA LEU 47 4.007 7.286 -2.825 355 1HB LEU 47 2HB LEU 47 3.840 7.911 -5.755 356 2HB LEU 47 1HB LEU 47 2.454 8.194 -4.720 357 HG LEU 47 HG LEU 47 3.656 10.243 -4.973 358 1HD1 LEU 47 1HD1 LEU 47 2.713 9.653 -2.760 359 2HD1 LEU 47 2HD1 LEU 47 4.026 10.831 -2.700 360 3HD1 LEU 47 3HD1 LEU 47 4.328 9.149 -2.254 361 1HD2 LEU 47 1HD2 LEU 47 5.815 9.375 -5.641 362 2HD2 LEU 47 2HD2 LEU 47 6.090 8.746 -4.015 363 3HD2 LEU 47 3HD2 LEU 47 5.999 10.487 -4.282 364 H ALA 48 H ALA 48 4.107 4.626 -4.907 365 HA ALA 48 HA ALA 48 1.247 4.127 -4.866 366 1HB ALA 48 1HB ALA 48 2.611 3.564 -6.838 367 2HB ALA 48 2HB ALA 48 1.744 2.175 -6.189 368 3HB ALA 48 3HB ALA 48 3.472 2.363 -5.881 369 H GLY 49 H GLY 49 4.085 2.162 -3.960 370 1HA GLY 49 2HA GLY 49 3.221 0.575 -2.002 371 2HA GLY 49 1HA GLY 49 4.693 1.503 -1.805 372 H CYS 50 H CYS 50 3.754 4.104 -1.329 373 HA CYS 50 HA CYS 50 2.842 3.897 1.334 374 1HB CYS 50 2HB CYS 50 3.297 6.165 -0.557 375 2HB CYS 50 1HB CYS 50 2.394 6.467 0.919 376 H ALA 51 H ALA 51 1.140 4.617 -1.691 377 HA ALA 51 HA ALA 51 -1.293 5.424 -0.485 378 1HB ALA 51 1HB ALA 51 -0.841 4.314 -3.249 379 2HB ALA 51 2HB ALA 51 -0.686 6.007 -2.783 380 3HB ALA 51 3HB ALA 51 -2.259 5.210 -2.704 381 H ILE 52 H ILE 52 0.102 2.326 -0.986 382 HA ILE 52 HA ILE 52 -2.139 0.683 -1.154 383 HB ILE 52 HB ILE 52 0.464 0.164 0.297 384 1HG1 ILE 52 2HG1 ILE 52 0.786 0.627 -2.067 385 2HG1 ILE 52 1HG1 ILE 52 1.054 -1.085 -1.759 386 1HG2 ILE 52 1HG2 ILE 52 -1.671 -1.788 -0.562 387 2HG2 ILE 52 2HG2 ILE 52 -1.245 -1.362 1.095 388 3HG2 ILE 52 3HG2 ILE 52 -0.087 -2.222 0.080 389 1HD1 ILE 52 1HD1 ILE 52 -0.184 -0.729 -3.816 390 2HD1 ILE 52 2HD1 ILE 52 -1.441 0.128 -2.925 391 3HD1 ILE 52 3HD1 ILE 52 -1.165 -1.589 -2.630 392 H ASN 53 H ASN 53 -0.675 2.262 1.644 393 HA ASN 53 HA ASN 53 -3.130 1.703 3.122 394 1HB ASN 53 2HB ASN 53 -1.496 -0.043 3.820 395 2HB ASN 53 1HB ASN 53 -0.406 1.235 4.354 396 1HD2 ASN 53 1HD2 ASN 53 -0.473 0.498 6.484 397 2HD2 ASN 53 2HD2 ASN 53 -1.849 0.753 7.494 398 H CYS 54 H CYS 54 -3.618 3.858 2.756 399 HA CYS 54 HA CYS 54 -1.870 5.844 4.037 400 1HB CYS 54 2HB CYS 54 -3.409 7.431 2.698 401 2HB CYS 54 1HB CYS 54 -2.254 6.449 1.799 402 H LEU 55 H LEU 55 -5.271 4.841 3.801 403 HA LEU 55 HA LEU 55 -6.256 6.814 5.577 404 1HB LEU 55 2HB LEU 55 -7.571 5.617 3.818 405 2HB LEU 55 1HB LEU 55 -7.521 4.180 4.816 406 HG LEU 55 HG LEU 55 -8.691 6.696 5.944 407 1HD1 LEU 55 1HD1 LEU 55 -10.878 6.057 5.050 408 2HD1 LEU 55 2HD1 LEU 55 -10.119 4.769 4.116 409 3HD1 LEU 55 3HD1 LEU 55 -9.743 6.453 3.759 410 1HD2 LEU 55 1HD2 LEU 55 -8.379 4.767 7.411 411 2HD2 LEU 55 2HD2 LEU 55 -9.312 3.765 6.301 412 3HD2 LEU 55 3HD2 LEU 55 -10.093 5.095 7.154 413 H ALA 56 H ALA 56 -5.366 3.409 6.025 414 HA ALA 56 HA ALA 56 -6.302 3.428 8.753 415 1HB ALA 56 1HB ALA 56 -6.522 1.408 7.395 416 2HB ALA 56 2HB ALA 56 -5.530 1.112 8.823 417 3HB ALA 56 3HB ALA 56 -4.768 1.312 7.247 418 H THR 57 H THR 57 -3.454 4.251 7.117 419 HA THR 57 HA THR 57 -1.692 3.886 9.346 420 HB THR 57 HB THR 57 -1.331 5.540 6.841 421 HG1 THR 57 1HG THR 57 -0.649 3.737 5.950 422 1HG2 THR 57 1HG2 THR 57 0.480 4.853 9.102 423 2HG2 THR 57 2HG2 THR 57 0.202 6.426 8.355 424 3HG2 THR 57 3HG2 THR 57 1.129 5.192 7.498 425 H LYS 58 H LYS 58 -3.666 6.501 8.022 426 HA LYS 58 HA LYS 58 -2.699 8.433 9.890 427 1HB LYS 58 2HB LYS 58 -5.143 8.403 8.129 428 2HB LYS 58 1HB LYS 58 -4.661 9.775 9.122 429 1HG LYS 58 2HG LYS 58 -2.524 9.871 7.916 430 2HG LYS 58 1HG LYS 58 -3.056 8.536 6.893 431 1HD LYS 58 2HD LYS 58 -3.384 10.664 5.769 432 2HD LYS 58 1HD LYS 58 -4.941 9.907 6.114 433 1HE LYS 58 2HE LYS 58 -5.027 12.286 6.613 434 2HE LYS 58 1HE LYS 58 -5.190 11.339 8.090 435 1HZ LYS 58 1HZ LYS 58 -2.818 12.860 7.155 436 2HZ LYS 58 2HZ LYS 58 -2.727 11.706 8.394 437 3HZ LYS 58 3HZ LYS 58 -3.708 13.075 8.585 438 H LEU 59 H LEU 59 -5.112 5.942 10.006 439 HA LEU 59 HA LEU 59 -6.639 6.919 12.160 440 1HB LEU 59 2HB LEU 59 -6.009 4.080 11.395 441 2HB LEU 59 1HB LEU 59 -7.231 4.560 12.554 442 HG LEU 59 HG LEU 59 -7.250 4.815 9.578 443 1HD1 LEU 59 1HD1 LEU 59 -9.218 3.948 11.666 444 2HD1 LEU 59 2HD1 LEU 59 -8.306 2.903 10.576 445 3HD1 LEU 59 3HD1 LEU 59 -9.548 3.981 9.934 446 1HD2 LEU 59 1HD2 LEU 59 -7.731 7.065 10.118 447 2HD2 LEU 59 2HD2 LEU 59 -8.703 6.600 11.514 448 3HD2 LEU 59 3HD2 LEU 59 -9.298 6.291 9.885 449 H ASP 60 H ASP 60 -4.118 4.379 12.310 450 HA ASP 60 HA ASP 60 -2.706 5.443 14.481 451 1HB ASP 60 2HB ASP 60 -4.752 5.035 15.790 452 2HB ASP 60 1HB ASP 60 -4.741 3.346 15.291 453 H VAL 61 H VAL 61 -0.754 4.533 14.159 454 HA VAL 61 HA VAL 61 -0.353 1.732 13.910 455 HB VAL 61 HB VAL 61 -1.509 2.258 11.743 456 1HG1 VAL 61 1HG1 VAL 61 -0.593 4.456 11.350 457 2HG1 VAL 61 2HG1 VAL 61 -0.231 3.391 9.991 458 3HG1 VAL 61 3HG1 VAL 61 1.024 3.776 11.170 459 1HG2 VAL 61 1HG2 VAL 61 1.297 1.329 11.251 460 2HG2 VAL 61 2HG2 VAL 61 -0.180 0.844 10.416 461 3HG2 VAL 61 3HG2 VAL 61 0.100 0.336 12.083 462 H VAL 62 H VAL 62 0.862 4.008 15.303 463 HA VAL 62 HA VAL 62 3.469 4.105 13.941 464 HB VAL 62 HB VAL 62 3.960 6.196 15.059 465 1HG1 VAL 62 1HG1 VAL 62 2.314 7.628 13.935 466 2HG1 VAL 62 2HG1 VAL 62 1.285 6.219 13.680 467 3HG1 VAL 62 3HG1 VAL 62 2.869 6.305 12.909 468 1HG2 VAL 62 1HG2 VAL 62 2.726 5.893 17.137 469 2HG2 VAL 62 2HG2 VAL 62 1.200 5.987 16.259 470 3HG2 VAL 62 3HG2 VAL 62 2.249 7.400 16.352 471 H ASP 63 H ASP 63 4.947 2.836 14.757 472 HA ASP 63 HA ASP 63 4.826 1.785 17.398 473 1HB ASP 63 2HB ASP 63 5.949 0.884 15.142 474 2HB ASP 63 1HB ASP 63 7.365 1.640 15.857 475 HA PRO 64 HA PRO 64 8.455 4.583 18.449 476 1HB PRO 64 2HB PRO 64 9.765 5.897 16.397 477 2HB PRO 64 1HB PRO 64 10.095 4.241 16.906 478 1HG PRO 64 2HG PRO 64 9.024 5.088 14.418 479 2HG PRO 64 1HG PRO 64 9.204 3.424 14.996 480 1HD PRO 64 2HD PRO 64 6.815 5.212 15.078 481 2HD PRO 64 1HD PRO 64 6.898 3.458 14.843 482 H ASP 65 H ASP 65 9.502 7.084 17.191 483 HA ASP 65 HA ASP 65 7.783 8.906 18.570 484 1HB ASP 65 2HB ASP 65 10.295 9.276 16.940 485 2HB ASP 65 1HB ASP 65 9.468 10.609 17.732 486 H GLY 66 H GLY 66 7.122 7.598 15.760 487 1HA GLY 66 2HA GLY 66 5.214 8.895 14.635 488 2HA GLY 66 1HA GLY 66 6.451 10.110 14.377 489 H ASN 67 H ASN 67 8.346 9.471 13.199 490 HA ASN 67 HA ASN 67 7.744 8.130 10.766 491 1HB ASN 67 2HB ASN 67 10.228 8.478 10.349 492 2HB ASN 67 1HB ASN 67 9.306 9.941 10.693 493 1HD2 ASN 67 1HD2 ASN 67 11.645 7.668 11.942 494 2HD2 ASN 67 2HD2 ASN 67 12.177 8.645 13.275 495 H LEU 68 H LEU 68 8.643 6.217 9.944 496 HA LEU 68 HA LEU 68 9.590 4.170 9.882 497 1HB LEU 68 2HB LEU 68 11.065 5.346 12.192 498 2HB LEU 68 1HB LEU 68 11.203 3.626 11.891 499 HG LEU 68 HG LEU 68 13.066 4.701 10.862 500 1HD1 LEU 68 1HD1 LEU 68 12.034 2.859 9.623 501 2HD1 LEU 68 2HD1 LEU 68 12.812 4.024 8.555 502 3HD1 LEU 68 3HD1 LEU 68 11.057 4.019 8.725 503 1HD2 LEU 68 1HD2 LEU 68 11.083 6.467 9.433 504 2HD2 LEU 68 2HD2 LEU 68 12.825 6.434 9.151 505 3HD2 LEU 68 3HD2 LEU 68 12.193 6.963 10.710 506 H HIS 69 H HIS 69 7.031 4.591 11.170 507 HA HIS 69 HA HIS 69 6.843 2.716 13.303 508 1HB HIS 69 2HB HIS 69 4.345 2.789 12.703 509 2HB HIS 69 1HB HIS 69 5.097 4.270 13.275 510 HD1 HIS 69 1HD HIS 69 4.957 6.285 11.779 511 HD2 HIS 69 2HD HIS 69 3.777 2.782 9.869 512 HE1 HIS 69 1HE HIS 69 3.949 7.011 9.597 513 HE2 HIS 69 2HE HIS 69 3.491 4.866 8.362 514 H HIS 70 H HIS 70 8.081 1.027 12.427 515 HA HIS 70 HA HIS 70 7.170 -0.380 10.066 516 1HB HIS 70 2HB HIS 70 9.500 -0.119 10.212 517 2HB HIS 70 1HB HIS 70 9.537 -0.553 11.909 518 HD1 HIS 70 1HD HIS 70 9.122 -2.186 8.499 519 HD2 HIS 70 2HD HIS 70 10.163 -3.116 12.416 520 HE1 HIS 70 1HE HIS 70 9.972 -4.548 8.430 521 HE2 HIS 70 2HE HIS 70 10.875 -4.958 10.748 522 H GLY 71 H GLY 71 7.911 -1.392 13.419 523 1HA GLY 71 2HA GLY 71 6.794 -3.962 13.216 524 2HA GLY 71 1HA GLY 71 7.058 -3.085 14.715 525 H ASN 72 H ASN 72 5.381 -1.051 14.649 526 HA ASN 72 HA ASN 72 2.911 -2.165 15.298 527 1HB ASN 72 2HB ASN 72 3.862 0.095 16.009 528 2HB ASN 72 1HB ASN 72 3.257 0.725 14.485 529 1HD2 ASN 72 1HD2 ASN 72 2.530 1.438 17.202 530 2HD2 ASN 72 2HD2 ASN 72 0.827 1.168 17.333 531 H ALA 73 H ALA 73 4.090 -1.109 12.157 532 HA ALA 73 HA ALA 73 1.489 -0.758 11.012 533 1HB ALA 73 1HB ALA 73 3.450 0.389 10.104 534 2HB ALA 73 2HB ALA 73 2.652 -0.599 8.880 535 3HB ALA 73 3HB ALA 73 4.141 -1.165 9.636 536 H LYS 74 H LYS 74 3.845 -3.370 11.169 537 HA LYS 74 HA LYS 74 2.223 -5.061 9.487 538 1HB LYS 74 2HB LYS 74 4.623 -5.765 11.170 539 2HB LYS 74 1HB LYS 74 3.843 -6.830 10.008 540 1HG LYS 74 2HG LYS 74 5.522 -4.412 9.528 541 2HG LYS 74 1HG LYS 74 5.618 -6.014 8.807 542 1HD LYS 74 2HD LYS 74 3.439 -4.003 8.275 543 2HD LYS 74 1HD LYS 74 4.813 -4.310 7.218 544 1HE LYS 74 2HE LYS 74 4.058 -6.589 6.860 545 2HE LYS 74 1HE LYS 74 2.729 -6.349 7.994 546 1HZ LYS 74 1HZ LYS 74 1.830 -4.647 6.520 547 2HZ LYS 74 2HZ LYS 74 1.974 -6.128 5.705 548 3HZ LYS 74 3HZ LYS 74 3.104 -4.892 5.427 549 H ASP 75 H ASP 75 2.752 -4.563 12.903 550 HA ASP 75 HA ASP 75 1.198 -6.711 13.863 551 1HB ASP 75 2HB ASP 75 2.644 -5.476 15.356 552 2HB ASP 75 1HB ASP 75 1.758 -3.986 15.049 553 H PHE 76 H PHE 76 0.382 -3.408 12.907 554 HA PHE 76 HA PHE 76 -2.353 -3.474 13.540 555 1HB PHE 76 2HB PHE 76 -1.042 -1.422 12.961 556 2HB PHE 76 1HB PHE 76 -1.030 -1.950 11.283 557 HD1 PHE 76 1HD PHE 76 -2.897 -1.593 9.871 558 HD2 PHE 76 2HD PHE 76 -3.195 -0.812 14.045 559 HE1 PHE 76 1HE PHE 76 -5.044 -0.455 9.501 560 HE2 PHE 76 2HE PHE 76 -5.346 0.327 13.680 561 HZ PHE 76 HZ PHE 76 -6.272 0.505 11.405 562 H ALA 77 H ALA 77 -0.539 -4.613 10.760 563 HA ALA 77 HA ALA 77 -2.770 -5.207 9.116 564 1HB ALA 77 1HB ALA 77 -1.137 -6.819 8.016 565 2HB ALA 77 2HB ALA 77 0.051 -6.243 9.188 566 3HB ALA 77 3HB ALA 77 -0.676 -5.116 8.042 567 H MET 78 H MET 78 -1.012 -7.047 11.567 568 HA MET 78 HA MET 78 -2.353 -9.505 11.091 569 1HB MET 78 2HB MET 78 -0.936 -8.540 13.582 570 2HB MET 78 1HB MET 78 -1.464 -10.192 13.301 571 1HG MET 78 2HG MET 78 0.022 -10.246 11.303 572 2HG MET 78 1HG MET 78 0.636 -8.667 11.786 573 1HE MET 78 1HE MET 78 2.233 -9.522 15.292 574 2HE MET 78 2HE MET 78 0.567 -9.023 15.001 575 3HE MET 78 3HE MET 78 1.887 -8.241 14.131 576 H LYS 79 H LYS 79 -3.146 -6.678 12.973 577 HA LYS 79 HA LYS 79 -5.311 -8.104 14.288 578 1HB LYS 79 2HB LYS 79 -3.867 -6.369 15.452 579 2HB LYS 79 1HB LYS 79 -4.682 -5.152 14.487 580 1HG LYS 79 2HG LYS 79 -5.741 -5.176 16.590 581 2HG LYS 79 1HG LYS 79 -6.845 -5.969 15.468 582 1HD LYS 79 2HD LYS 79 -4.913 -7.550 17.135 583 2HD LYS 79 1HD LYS 79 -6.469 -7.035 17.785 584 1HE LYS 79 2HE LYS 79 -7.656 -8.273 16.126 585 2HE LYS 79 1HE LYS 79 -6.174 -8.602 15.228 586 1HZ LYS 79 1HZ LYS 79 -6.698 -9.582 17.981 587 2HZ LYS 79 2HZ LYS 79 -5.399 -10.004 16.972 588 3HZ LYS 79 3HZ LYS 79 -6.974 -10.494 16.578 589 H HIS 80 H HIS 80 -4.811 -6.476 11.359 590 HA HIS 80 HA HIS 80 -7.705 -6.221 10.991 591 1HB HIS 80 2HB HIS 80 -5.757 -4.021 10.275 592 2HB HIS 80 1HB HIS 80 -7.486 -4.003 9.961 593 HD1 HIS 80 1HD HIS 80 -8.986 -3.164 11.846 594 HD2 HIS 80 2HD HIS 80 -5.024 -3.708 13.000 595 HE1 HIS 80 1HE HIS 80 -8.793 -2.150 14.145 596 HE2 HIS 80 2HE HIS 80 -6.370 -2.445 14.798 597 H GLY 81 H GLY 81 -7.547 -8.067 9.612 598 1HA GLY 81 2HA GLY 81 -7.932 -8.302 7.222 599 2HA GLY 81 1HA GLY 81 -6.520 -7.298 6.955 600 H ALA 82 H ALA 82 -4.501 -8.330 8.175 601 HA ALA 82 HA ALA 82 -4.165 -10.869 6.802 602 1HB ALA 82 1HB ALA 82 -1.730 -10.419 7.572 603 2HB ALA 82 2HB ALA 82 -2.324 -8.806 7.948 604 3HB ALA 82 3HB ALA 82 -2.423 -9.421 6.299 605 H ASP 83 H ASP 83 -4.298 -12.769 7.861 606 HA ASP 83 HA ASP 83 -4.192 -12.803 10.741 607 1HB ASP 83 2HB ASP 83 -4.617 -15.222 10.557 608 2HB ASP 83 1HB ASP 83 -5.820 -14.234 9.759 609 H GLU 84 H GLU 84 -2.942 -14.825 11.639 610 HA GLU 84 HA GLU 84 -0.505 -13.666 11.900 611 1HB GLU 84 2HB GLU 84 -1.851 -16.000 12.931 612 2HB GLU 84 1HB GLU 84 -0.144 -16.326 12.697 613 1HG GLU 84 2HG GLU 84 -0.064 -13.924 13.970 614 2HG GLU 84 1HG GLU 84 -1.494 -14.673 14.684 615 H THR 85 H THR 85 -1.349 -16.594 10.110 616 HA THR 85 HA THR 85 1.270 -17.394 9.571 617 HB THR 85 HB THR 85 -0.670 -18.892 9.375 618 HG1 THR 85 1HG THR 85 0.092 -19.658 7.099 619 1HG2 THR 85 1HG2 THR 85 -2.199 -17.344 8.228 620 2HG2 THR 85 2HG2 THR 85 -2.046 -18.886 7.373 621 3HG2 THR 85 3HG2 THR 85 -1.200 -17.458 6.773 622 H MET 86 H MET 86 -0.797 -15.076 7.811 623 HA MET 86 HA MET 86 0.888 -15.248 5.465 624 1HB MET 86 2HB MET 86 -1.359 -13.308 6.037 625 2HB MET 86 1HB MET 86 -0.594 -13.590 4.479 626 1HG MET 86 2HG MET 86 -1.397 -15.928 4.578 627 2HG MET 86 1HG MET 86 -2.254 -15.516 6.064 628 1HE MET 86 1HE MET 86 -3.144 -12.495 5.329 629 2HE MET 86 2HE MET 86 -4.213 -13.643 6.137 630 3HE MET 86 3HE MET 86 -4.771 -12.774 4.707 631 H ALA 87 H ALA 87 0.222 -13.044 8.090 632 HA ALA 87 HA ALA 87 1.984 -10.993 7.389 633 1HB ALA 87 1HB ALA 87 1.061 -12.055 10.049 634 2HB ALA 87 2HB ALA 87 0.445 -10.650 9.175 635 3HB ALA 87 3HB ALA 87 2.059 -10.610 9.883 636 H GLN 88 H GLN 88 2.417 -14.089 8.990 637 HA GLN 88 HA GLN 88 5.138 -13.623 9.760 638 1HB GLN 88 2HB GLN 88 3.178 -15.752 10.024 639 2HB GLN 88 1HB GLN 88 4.792 -16.375 9.709 640 1HG GLN 88 2HG GLN 88 4.147 -16.105 12.132 641 2HG GLN 88 1HG GLN 88 5.675 -15.374 11.643 642 1HE2 GLN 88 1HE2 GLN 88 2.388 -14.765 12.623 643 2HE2 GLN 88 2HE2 GLN 88 2.594 -13.080 12.958 644 H GLN 89 H GLN 89 3.595 -14.884 6.885 645 HA GLN 89 HA GLN 89 6.052 -15.927 5.803 646 1HB GLN 89 2HB GLN 89 3.574 -15.190 4.213 647 2HB GLN 89 1HB GLN 89 4.871 -16.263 3.731 648 1HG GLN 89 2HG GLN 89 2.856 -16.767 5.910 649 2HG GLN 89 1HG GLN 89 2.884 -17.501 4.308 650 1HE2 GLN 89 1HE2 GLN 89 2.960 -18.721 6.949 651 2HE2 GLN 89 2HE2 GLN 89 4.389 -19.704 6.972 652 H LEU 90 H LEU 90 4.495 -12.844 6.000 653 HA LEU 90 HA LEU 90 5.986 -11.735 3.777 654 1HB LEU 90 2HB LEU 90 3.709 -11.016 4.039 655 2HB LEU 90 1HB LEU 90 3.996 -10.548 5.702 656 HG LEU 90 HG LEU 90 5.604 -8.798 4.804 657 1HD1 LEU 90 1HD1 LEU 90 4.149 -9.089 2.204 658 2HD1 LEU 90 2HD1 LEU 90 5.643 -9.981 2.504 659 3HD1 LEU 90 3HD1 LEU 90 5.644 -8.219 2.565 660 1HD2 LEU 90 1HD2 LEU 90 2.682 -8.620 4.089 661 2HD2 LEU 90 2HD2 LEU 90 3.784 -7.251 4.231 662 3HD2 LEU 90 3HD2 LEU 90 3.406 -8.229 5.649 663 H VAL 91 H VAL 91 5.830 -11.385 7.293 664 HA VAL 91 HA VAL 91 7.499 -9.177 7.589 665 HB VAL 91 HB VAL 91 7.903 -10.056 9.917 666 1HG1 VAL 91 1HG1 VAL 91 5.539 -9.867 10.625 667 2HG1 VAL 91 2HG1 VAL 91 5.065 -9.934 8.926 668 3HG1 VAL 91 3HG1 VAL 91 6.040 -8.587 9.518 669 1HG2 VAL 91 1HG2 VAL 91 6.503 -12.370 8.733 670 2HG2 VAL 91 2HG2 VAL 91 6.287 -12.011 10.447 671 3HG2 VAL 91 3HG2 VAL 91 7.900 -12.340 9.807 672 H ASP 92 H ASP 92 8.338 -12.579 7.265 673 HA ASP 92 HA ASP 92 10.998 -12.341 8.165 674 1HB ASP 92 2HB ASP 92 10.015 -14.502 8.170 675 2HB ASP 92 1HB ASP 92 9.627 -14.413 6.457 676 H ILE 93 H ILE 93 9.535 -12.238 4.947 677 HA ILE 93 HA ILE 93 11.900 -11.874 3.467 678 HB ILE 93 HB ILE 93 9.012 -11.346 2.984 679 1HG1 ILE 93 2HG1 ILE 93 9.447 -12.697 0.975 680 2HG1 ILE 93 1HG1 ILE 93 11.160 -12.720 1.374 681 1HG2 ILE 93 1HG2 ILE 93 10.156 -9.282 2.206 682 2HG2 ILE 93 2HG2 ILE 93 9.347 -10.188 0.925 683 3HG2 ILE 93 3HG2 ILE 93 11.100 -10.284 1.102 684 1HD1 ILE 93 1HD1 ILE 93 8.944 -13.945 3.000 685 2HD1 ILE 93 2HD1 ILE 93 10.657 -13.967 3.418 686 3HD1 ILE 93 3HD1 ILE 93 10.091 -14.809 1.975 687 H ILE 94 H ILE 94 9.782 -9.648 5.166 688 HA ILE 94 HA ILE 94 10.835 -7.227 4.219 689 HB ILE 94 HB ILE 94 9.705 -7.764 6.969 690 1HG1 ILE 94 2HG1 ILE 94 8.339 -6.922 4.405 691 2HG1 ILE 94 1HG1 ILE 94 8.152 -8.466 5.232 692 1HG2 ILE 94 1HG2 ILE 94 9.971 -5.200 5.404 693 2HG2 ILE 94 2HG2 ILE 94 10.896 -5.651 6.835 694 3HG2 ILE 94 3HG2 ILE 94 9.160 -5.374 6.961 695 1HD1 ILE 94 1HD1 ILE 94 7.406 -5.814 6.411 696 2HD1 ILE 94 2HD1 ILE 94 7.071 -7.410 7.084 697 3HD1 ILE 94 3HD1 ILE 94 6.280 -6.893 5.593 698 H HIS 95 H HIS 95 11.731 -9.246 6.979 699 HA HIS 95 HA HIS 95 13.677 -7.425 7.989 700 1HB HIS 95 2HB HIS 95 13.682 -10.408 8.482 701 2HB HIS 95 1HB HIS 95 14.352 -9.147 9.493 702 HD1 HIS 95 1HD HIS 95 12.127 -11.375 10.218 703 HD2 HIS 95 2HD HIS 95 11.502 -7.319 9.529 704 HE1 HIS 95 1HE HIS 95 10.001 -10.796 11.432 705 HE2 HIS 95 2HE HIS 95 9.764 -8.303 11.184 706 H GLY 96 H GLY 96 13.751 -10.029 5.660 707 1HA GLY 96 2HA GLY 96 16.629 -10.263 5.748 708 2HA GLY 96 1HA GLY 96 15.539 -11.141 4.686 709 H CYS 97 H CYS 97 14.252 -9.168 3.308 710 HA CYS 97 HA CYS 97 16.353 -8.376 1.592 711 1HB CYS 97 2HB CYS 97 13.395 -8.207 1.419 712 2HB CYS 97 1HB CYS 97 14.362 -7.162 0.376 713 H GLU 98 H GLU 98 14.386 -6.544 3.972 714 HA GLU 98 HA GLU 98 15.559 -4.063 3.288 715 1HB GLU 98 2HB GLU 98 14.250 -5.089 5.767 716 2HB GLU 98 1HB GLU 98 15.239 -3.642 5.898 717 1HG GLU 98 2HG GLU 98 13.888 -2.649 4.043 718 2HG GLU 98 1HG GLU 98 12.822 -4.044 4.157 719 H LYS 99 H LYS 99 16.700 -6.744 5.260 720 HA LYS 99 HA LYS 99 19.001 -5.493 6.291 721 1HB LYS 99 2HB LYS 99 18.223 -7.567 7.223 722 2HB LYS 99 1HB LYS 99 18.375 -8.381 5.674 723 1HG LYS 99 2HG LYS 99 20.157 -9.041 7.160 724 2HG LYS 99 1HG LYS 99 20.803 -8.137 5.791 725 1HD LYS 99 2HD LYS 99 20.936 -6.128 7.182 726 2HD LYS 99 1HD LYS 99 20.285 -7.035 8.551 727 1HE LYS 99 2HE LYS 99 22.205 -8.466 8.594 728 2HE LYS 99 1HE LYS 99 22.821 -7.768 7.098 729 1HZ LYS 99 1HZ LYS 99 22.494 -6.306 9.662 730 2HZ LYS 99 2HZ LYS 99 23.147 -5.676 8.228 731 3HZ LYS 99 3HZ LYS 99 23.955 -6.914 9.060 732 H SER 100 H SER 100 18.465 -7.295 3.273 733 HA SER 100 HA SER 100 21.263 -6.829 2.534 734 1HB SER 100 2HB SER 100 19.211 -8.657 1.271 735 2HB SER 100 1HB SER 100 20.925 -8.574 0.858 736 HG SER 100 HG SER 100 21.451 -9.375 2.852 737 H ALA 101 H ALA 101 18.608 -5.086 2.204 738 HA ALA 101 HA ALA 101 18.448 -4.577 -0.579 739 1HB ALA 101 1HB ALA 101 17.691 -2.824 1.764 740 2HB ALA 101 2HB ALA 101 16.626 -3.933 0.891 741 3HB ALA 101 3HB ALA 101 17.270 -2.501 0.082 742 HA PRO 102 HA PRO 102 22.035 -2.101 -1.404 743 1HB PRO 102 2HB PRO 102 20.202 -0.271 -2.858 744 2HB PRO 102 1HB PRO 102 21.649 -1.104 -3.435 745 1HG PRO 102 2HG PRO 102 19.224 -1.921 -4.171 746 2HG PRO 102 1HG PRO 102 20.516 -3.085 -3.825 747 1HD PRO 102 2HD PRO 102 18.179 -2.290 -2.140 748 2HD PRO 102 1HD PRO 102 18.911 -3.892 -2.368 749 HA PRO 103 HA PRO 103 21.959 1.156 1.533 750 1HB PRO 103 2HB PRO 103 23.939 2.786 0.677 751 2HB PRO 103 1HB PRO 103 24.251 1.178 1.341 752 1HG PRO 103 2HG PRO 103 24.138 2.061 -1.514 753 2HG PRO 103 1HG PRO 103 25.291 0.970 -0.725 754 1HD PRO 103 2HD PRO 103 23.192 0.097 -2.225 755 2HD PRO 103 1HD PRO 103 23.874 -0.832 -0.876 756 H ASN 104 H ASN 104 20.287 1.543 -1.044 757 HA ASN 104 HA ASN 104 20.144 4.467 -1.050 758 1HB ASN 104 2HB ASN 104 18.660 2.403 -2.704 759 2HB ASN 104 1HB ASN 104 18.391 4.136 -2.816 760 1HD2 ASN 104 1HD2 ASN 104 18.984 4.265 -4.941 761 2HD2 ASN 104 2HD2 ASN 104 20.615 4.063 -5.488 762 H ASP 105 H ASP 105 19.318 4.878 0.971 763 HA ASP 105 HA ASP 105 16.950 3.515 1.876 764 1HB ASP 105 2HB ASP 105 17.125 4.889 3.884 765 2HB ASP 105 1HB ASP 105 18.675 4.156 3.499 766 H ASP 106 H ASP 106 15.292 3.962 0.541 767 HA ASP 106 HA ASP 106 14.583 6.781 0.192 768 1HB ASP 106 2HB ASP 106 14.581 5.520 -1.887 769 2HB ASP 106 1HB ASP 106 13.469 4.337 -1.198 770 H LYS 107 H LYS 107 12.963 7.678 1.103 771 HA LYS 107 HA LYS 107 11.698 7.186 3.343 772 1HB LYS 107 2HB LYS 107 11.342 9.144 1.838 773 2HB LYS 107 1HB LYS 107 10.193 8.182 0.923 774 1HG LYS 107 2HG LYS 107 8.864 7.938 3.037 775 2HG LYS 107 1HG LYS 107 9.946 9.131 3.763 776 1HD LYS 107 2HD LYS 107 9.352 10.683 1.885 777 2HD LYS 107 1HD LYS 107 8.133 9.512 1.382 778 1HE LYS 107 2HE LYS 107 6.985 11.098 2.690 779 2HE LYS 107 1HE LYS 107 7.198 9.693 3.734 780 1HZ LYS 107 1HZ LYS 107 7.771 11.531 5.040 781 2HZ LYS 107 2HZ LYS 107 8.657 12.263 3.798 782 3HZ LYS 107 3HZ LYS 107 9.264 10.881 4.566 783 H CYS 108 H CYS 108 9.774 6.359 0.427 784 HA CYS 108 HA CYS 108 8.357 4.408 2.062 785 1HB CYS 108 2HB CYS 108 7.329 6.284 0.537 786 2HB CYS 108 1HB CYS 108 7.559 5.095 -0.735 787 H MET 109 H MET 109 10.797 4.364 -0.423 788 HA MET 109 HA MET 109 9.763 2.085 -1.786 789 1HB MET 109 2HB MET 109 10.950 3.734 -3.065 790 2HB MET 109 1HB MET 109 12.364 3.597 -2.026 791 1HG MET 109 2HG MET 109 12.587 1.268 -2.737 792 2HG MET 109 1HG MET 109 11.283 1.508 -3.892 793 1HE MET 109 1HE MET 109 14.433 3.680 -2.791 794 2HE MET 109 2HE MET 109 15.520 3.302 -4.128 795 3HE MET 109 3HE MET 109 15.001 2.027 -3.026 796 H LYS 110 H LYS 110 11.749 2.530 0.980 797 HA LYS 110 HA LYS 110 13.367 0.238 0.886 798 1HB LYS 110 2HB LYS 110 13.212 0.298 3.384 799 2HB LYS 110 1HB LYS 110 13.595 1.863 2.678 800 1HG LYS 110 2HG LYS 110 11.075 2.313 2.828 801 2HG LYS 110 1HG LYS 110 11.027 0.920 3.903 802 1HD LYS 110 2HD LYS 110 12.549 3.488 4.289 803 2HD LYS 110 1HD LYS 110 11.175 2.894 5.221 804 1HE LYS 110 2HE LYS 110 13.902 1.605 5.102 805 2HE LYS 110 1HE LYS 110 13.306 2.615 6.416 806 1HZ LYS 110 1HZ LYS 110 11.429 0.911 6.556 807 2HZ LYS 110 2HZ LYS 110 12.953 0.462 7.145 808 3HZ LYS 110 3HZ LYS 110 12.439 -0.094 5.636 809 H THR 111 H THR 111 10.180 0.624 2.286 810 HA THR 111 HA THR 111 9.472 -2.023 2.648 811 HB THR 111 HB THR 111 8.316 0.478 3.043 812 HG1 THR 111 1HG THR 111 7.580 -2.203 3.599 813 1HG2 THR 111 1HG2 THR 111 7.010 0.437 0.985 814 2HG2 THR 111 2HG2 THR 111 5.927 0.061 2.328 815 3HG2 THR 111 3HG2 THR 111 6.518 -1.231 1.290 816 H ILE 112 H ILE 112 10.030 -0.482 -0.310 817 HA ILE 112 HA ILE 112 8.017 -2.006 -1.770 818 HB ILE 112 HB ILE 112 9.601 0.375 -2.302 819 1HG1 ILE 112 2HG1 ILE 112 7.692 0.836 -3.846 820 2HG1 ILE 112 1HG1 ILE 112 7.044 -0.750 -3.435 821 1HG2 ILE 112 1HG2 ILE 112 9.264 -1.615 -4.547 822 2HG2 ILE 112 2HG2 ILE 112 10.791 -1.057 -3.863 823 3HG2 ILE 112 3HG2 ILE 112 9.758 0.068 -4.744 824 1HD1 ILE 112 1HD1 ILE 112 6.893 -0.062 -1.098 825 2HD1 ILE 112 2HD1 ILE 112 5.947 0.980 -2.159 826 3HD1 ILE 112 3HD1 ILE 112 7.502 1.534 -1.533 827 H ASP 113 H ASP 113 11.512 -1.714 -1.383 828 HA ASP 113 HA ASP 113 12.236 -3.719 -3.208 829 1HB ASP 113 2HB ASP 113 13.807 -2.055 -2.142 830 2HB ASP 113 1HB ASP 113 13.744 -3.018 -0.672 831 H VAL 114 H VAL 114 11.235 -3.852 0.199 832 HA VAL 114 HA VAL 114 11.775 -6.670 0.363 833 HB VAL 114 HB VAL 114 10.428 -6.593 2.476 834 1HG1 VAL 114 1HG1 VAL 114 12.662 -4.599 2.363 835 2HG1 VAL 114 2HG1 VAL 114 12.905 -6.346 2.283 836 3HG1 VAL 114 3HG1 VAL 114 12.190 -5.620 3.722 837 1HG2 VAL 114 1HG2 VAL 114 10.511 -3.668 1.968 838 2HG2 VAL 114 2HG2 VAL 114 9.943 -4.433 3.445 839 3HG2 VAL 114 3HG2 VAL 114 9.058 -4.650 1.930 840 H ALA 115 H ALA 115 8.966 -4.640 -0.299 841 HA ALA 115 HA ALA 115 6.993 -6.631 -0.167 842 1HB ALA 115 1HB ALA 115 6.730 -4.121 -0.323 843 2HB ALA 115 2HB ALA 115 5.573 -5.104 -1.226 844 3HB ALA 115 3HB ALA 115 6.910 -4.314 -2.068 845 H MET 116 H MET 116 8.838 -5.420 -2.991 846 HA MET 116 HA MET 116 7.702 -7.399 -4.655 847 1HB MET 116 2HB MET 116 9.439 -6.825 -6.345 848 2HB MET 116 1HB MET 116 8.479 -5.469 -5.796 849 1HG MET 116 2HG MET 116 10.315 -4.674 -4.436 850 2HG MET 116 1HG MET 116 11.278 -6.091 -4.871 851 1HE MET 116 1HE MET 116 12.234 -3.039 -5.168 852 2HE MET 116 2HE MET 116 13.051 -3.129 -6.728 853 3HE MET 116 3HE MET 116 13.244 -4.432 -5.558 854 H CYS 117 H CYS 117 10.109 -7.499 -2.339 855 HA CYS 117 HA CYS 117 11.616 -9.694 -3.295 856 1HB CYS 117 2HB CYS 117 12.528 -8.224 -1.619 857 2HB CYS 117 1HB CYS 117 11.190 -8.560 -0.532 858 H PHE 118 H PHE 118 8.701 -9.236 -1.520 859 HA PHE 118 HA PHE 118 8.388 -11.917 -0.682 860 1HB PHE 118 2HB PHE 118 7.343 -10.120 0.571 861 2HB PHE 118 1HB PHE 118 6.403 -9.644 -0.838 862 HD1 PHE 118 1HD PHE 118 6.988 -12.555 1.408 863 HD2 PHE 118 2HD PHE 118 4.257 -10.450 -1.083 864 HE1 PHE 118 1HE PHE 118 5.180 -14.060 2.129 865 HE2 PHE 118 2HE PHE 118 2.444 -11.952 -0.370 866 HZ PHE 118 HZ PHE 118 2.903 -13.759 1.238 867 H LYS 119 H LYS 119 7.177 -10.013 -3.479 868 HA LYS 119 HA LYS 119 5.504 -12.164 -4.269 869 1HB LYS 119 2HB LYS 119 5.081 -11.117 -6.362 870 2HB LYS 119 1HB LYS 119 5.048 -9.907 -5.105 871 1HG LYS 119 2HG LYS 119 6.020 -9.011 -7.089 872 2HG LYS 119 1HG LYS 119 7.278 -9.123 -5.844 873 1HD LYS 119 2HD LYS 119 7.985 -11.275 -6.964 874 2HD LYS 119 1HD LYS 119 6.852 -10.882 -8.258 875 1HE LYS 119 2HE LYS 119 8.052 -8.744 -8.599 876 2HE LYS 119 1HE LYS 119 9.226 -9.243 -7.381 877 1HZ LYS 119 1HZ LYS 119 8.759 -10.363 -10.071 878 2HZ LYS 119 2HZ LYS 119 9.492 -11.301 -8.869 879 3HZ LYS 119 3HZ LYS 119 10.219 -9.854 -9.367 880 H LYS 120 H LYS 120 8.963 -11.623 -4.814 881 HA LYS 120 HA LYS 120 9.204 -13.666 -6.795 882 1HB LYS 120 2HB LYS 120 11.128 -12.807 -4.649 883 2HB LYS 120 1HB LYS 120 11.501 -14.070 -5.805 884 1HG LYS 120 2HG LYS 120 12.260 -12.543 -7.199 885 2HG LYS 120 1HG LYS 120 10.655 -11.805 -7.274 886 1HD LYS 120 2HD LYS 120 12.750 -10.441 -6.442 887 2HD LYS 120 1HD LYS 120 11.163 -10.226 -5.697 888 1HE LYS 120 2HE LYS 120 12.618 -10.466 -3.883 889 2HE LYS 120 1HE LYS 120 11.867 -12.049 -4.061 890 1HZ LYS 120 1HZ LYS 120 14.280 -12.155 -3.675 891 2HZ LYS 120 2HZ LYS 120 14.554 -11.352 -5.144 892 3HZ LYS 120 3HZ LYS 120 13.819 -12.882 -5.131 893 H GLU 121 H GLU 121 9.728 -13.796 -3.277 894 HA GLU 121 HA GLU 121 9.891 -16.563 -3.068 895 1HB GLU 121 2HB GLU 121 9.352 -14.347 -1.188 896 2HB GLU 121 1HB GLU 121 8.929 -15.965 -0.639 897 1HG GLU 121 2HG GLU 121 11.225 -15.174 -0.021 898 2HG GLU 121 1HG GLU 121 11.154 -16.724 -0.849 899 H ILE 122 H ILE 122 6.896 -14.573 -2.806 900 HA ILE 122 HA ILE 122 5.166 -16.656 -2.215 901 HB ILE 122 HB ILE 122 4.901 -13.957 -2.603 902 1HG1 ILE 122 2HG1 ILE 122 3.613 -15.501 -1.131 903 2HG1 ILE 122 1HG1 ILE 122 2.663 -14.236 -1.889 904 1HG2 ILE 122 1HG2 ILE 122 3.014 -15.058 -4.642 905 2HG2 ILE 122 2HG2 ILE 122 4.637 -14.556 -5.117 906 3HG2 ILE 122 3HG2 ILE 122 3.538 -13.395 -4.373 907 1HD1 ILE 122 1HD1 ILE 122 1.809 -15.830 -3.511 908 2HD1 ILE 122 2HD1 ILE 122 1.492 -16.372 -1.863 909 3HD1 ILE 122 3HD1 ILE 122 2.802 -17.100 -2.793 910 H HIS 123 H HIS 123 6.502 -15.632 -5.346 911 HA HIS 123 HA HIS 123 4.911 -17.441 -6.870 912 1HB HIS 123 2HB HIS 123 7.212 -15.670 -7.415 913 2HB HIS 123 1HB HIS 123 7.022 -17.051 -8.494 914 HD1 HIS 123 1HD HIS 123 5.957 -16.188 -10.546 915 HD2 HIS 123 2HD HIS 123 4.225 -14.612 -7.107 916 HE1 HIS 123 1HE HIS 123 4.003 -14.809 -11.336 917 HE2 HIS 123 2HE HIS 123 2.903 -13.964 -9.231 918 H LYS 124 H LYS 124 7.984 -17.752 -5.201 919 HA LYS 124 HA LYS 124 8.703 -20.233 -6.370 920 1HB LYS 124 2HB LYS 124 10.300 -18.712 -5.333 921 2HB LYS 124 1HB LYS 124 9.494 -18.893 -3.785 922 1HG LYS 124 2HG LYS 124 10.200 -21.161 -3.607 923 2HG LYS 124 1HG LYS 124 10.842 -21.138 -5.257 924 1HD LYS 124 2HD LYS 124 12.548 -19.621 -4.680 925 2HD LYS 124 1HD LYS 124 11.777 -19.230 -3.141 926 1HE LYS 124 2HE LYS 124 12.278 -21.437 -2.290 927 2HE LYS 124 1HE LYS 124 12.915 -21.933 -3.857 928 1HZ LYS 124 1HZ LYS 124 14.713 -20.399 -3.631 929 2HZ LYS 124 2HZ LYS 124 14.644 -21.341 -2.219 930 3HZ LYS 124 3HZ LYS 124 14.061 -19.748 -2.205 931 H LEU 125 H LEU 125 6.894 -19.256 -3.493 932 HA LEU 125 HA LEU 125 6.322 -21.844 -2.523 933 1HB LEU 125 2HB LEU 125 4.687 -19.314 -2.355 934 2HB LEU 125 1HB LEU 125 4.370 -20.765 -1.427 935 HG LEU 125 HG LEU 125 6.889 -19.115 -1.234 936 1HD1 LEU 125 1HD1 LEU 125 4.954 -17.909 -0.380 937 2HD1 LEU 125 2HD1 LEU 125 6.019 -18.407 0.933 938 3HD1 LEU 125 3HD1 LEU 125 4.523 -19.292 0.626 939 1HD2 LEU 125 1HD2 LEU 125 5.897 -21.437 0.417 940 2HD2 LEU 125 2HD2 LEU 125 7.339 -20.479 0.747 941 3HD2 LEU 125 3HD2 LEU 125 7.253 -21.465 -0.711 942 H ASN 126 H ASN 126 4.748 -19.868 -4.995 943 HA ASN 126 HA ASN 126 3.425 -20.385 -6.731 944 1HB ASN 126 2HB ASN 126 4.111 -23.200 -5.921 945 2HB ASN 126 1HB ASN 126 2.998 -22.862 -7.240 946 1HD2 ASN 126 1HD2 ASN 126 6.286 -22.840 -6.189 947 2HD2 ASN 126 2HD2 ASN 126 6.990 -22.424 -7.714 948 H TRP 127 H TRP 127 2.348 -23.161 -4.836 949 HA TRP 127 HA TRP 127 -0.368 -22.376 -5.276 950 1HB TRP 127 2HB TRP 127 0.554 -24.603 -3.476 951 2HB TRP 127 1HB TRP 127 -0.949 -24.487 -4.392 952 HD1 TRP 127 HD TRP 127 2.475 -25.872 -4.594 953 HE1 TRP 127 1HE TRP 127 2.958 -26.756 -6.951 954 HE3 TRP 127 3HE TRP 127 -1.538 -23.873 -7.038 955 HZ2 TRP 127 2HZ TRP 127 1.783 -26.637 -9.523 956 HZ3 TRP 127 3HZ TRP 127 -1.786 -24.302 -9.447 957 HH2 TRP 127 HH TRP 127 -0.159 -25.654 -10.663 958 H VAL 128 H VAL 128 -1.566 -21.139 -4.081 959 HA VAL 128 HA VAL 128 -1.112 -21.043 -1.177 960 HB VAL 128 HB VAL 128 -2.094 -18.722 -1.251 961 1HG1 VAL 128 1HG1 VAL 128 0.517 -19.149 -2.699 962 2HG1 VAL 128 2HG1 VAL 128 0.290 -19.076 -0.951 963 3HG1 VAL 128 3HG1 VAL 128 -0.002 -17.644 -1.937 964 1HG2 VAL 128 1HG2 VAL 128 -3.135 -18.853 -3.456 965 2HG2 VAL 128 2HG2 VAL 128 -1.544 -18.983 -4.208 966 3HG2 VAL 128 3HG2 VAL 128 -2.006 -17.500 -3.370 967 HA PRO 129 HA PRO 129 -5.235 -22.423 -0.729 968 1HB PRO 129 2HB PRO 129 -5.690 -20.559 1.497 969 2HB PRO 129 1HB PRO 129 -5.616 -22.323 1.508 970 1HG PRO 129 2HG PRO 129 -3.666 -20.827 2.582 971 2HG PRO 129 1HG PRO 129 -3.320 -22.358 1.755 972 1HD PRO 129 2HD PRO 129 -3.040 -19.552 0.739 973 2HD PRO 129 1HD PRO 129 -1.928 -20.927 0.559 974 H ASN 130 H ASN 130 -6.067 -21.521 -2.654 975 HA ASN 130 HA ASN 130 -8.535 -20.341 -2.255 976 1HB ASN 130 2HB ASN 130 -8.391 -18.147 -3.188 977 2HB ASN 130 1HB ASN 130 -7.169 -18.234 -1.929 978 1HD2 ASN 130 1HD2 ASN 130 -7.785 -17.936 -5.310 979 2HD2 ASN 130 2HD2 ASN 130 -6.162 -17.588 -5.793 980 H MET 131 H MET 131 -9.612 -19.851 -4.403 981 HA MET 131 HA MET 131 -8.295 -21.320 -6.583 982 1HB MET 131 2HB MET 131 -11.095 -21.691 -5.539 983 2HB MET 131 1HB MET 131 -10.649 -22.156 -7.175 984 1HG MET 131 2HG MET 131 -9.395 -23.199 -4.647 985 2HG MET 131 1HG MET 131 -10.580 -24.045 -5.640 986 1HE MET 131 1HE MET 131 -7.197 -25.988 -6.229 987 2HE MET 131 2HE MET 131 -8.862 -26.120 -5.668 988 3HE MET 131 3HE MET 131 -7.691 -25.183 -4.741 989 H ASP 132 H ASP 132 -8.505 -20.465 -8.573 990 HA ASP 132 HA ASP 132 -9.723 -17.829 -8.733 991 1HB ASP 132 2HB ASP 132 -7.471 -18.183 -9.662 992 2HB ASP 132 1HB ASP 132 -8.116 -19.381 -10.777 993 H LEU 133 H LEU 133 -11.901 -18.103 -8.810 994 HA LEU 133 HA LEU 133 -12.965 -19.945 -10.798 995 1HB LEU 133 2HB LEU 133 -15.154 -19.669 -9.686 996 2HB LEU 133 1HB LEU 133 -13.918 -20.365 -8.675 997 HG LEU 133 HG LEU 133 -15.317 -18.914 -7.368 998 1HD1 LEU 133 1HD1 LEU 133 -12.720 -18.929 -7.161 999 2HD1 LEU 133 2HD1 LEU 133 -13.712 -17.846 -6.183 1000 3HD1 LEU 133 3HD1 LEU 133 -12.889 -17.233 -7.619 1001 1HD2 LEU 133 1HD2 LEU 133 -15.477 -16.506 -7.762 1002 2HD2 LEU 133 2HD2 LEU 133 -16.178 -17.445 -9.079 1003 3HD2 LEU 133 3HD2 LEU 133 -14.592 -16.700 -9.277 1004 H VAL 134 H VAL 134 -11.938 -16.984 -11.003 1005 HA VAL 134 HA VAL 134 -14.304 -15.826 -12.269 1006 HB VAL 134 HB VAL 134 -11.592 -14.546 -11.887 1007 1HG1 VAL 134 1HG1 VAL 134 -12.906 -13.518 -13.650 1008 2HG1 VAL 134 2HG1 VAL 134 -12.817 -12.448 -12.252 1009 3HG1 VAL 134 3HG1 VAL 134 -14.287 -13.371 -12.563 1010 1HG2 VAL 134 1HG2 VAL 134 -14.063 -14.308 -10.171 1011 2HG2 VAL 134 2HG2 VAL 134 -12.581 -13.369 -9.980 1012 3HG2 VAL 134 3HG2 VAL 134 -12.561 -15.114 -9.722 1013 H ILE 135 H ILE 135 -14.397 -17.214 -14.066 1014 HA ILE 135 HA ILE 135 -12.323 -16.662 -16.090 1015 HB ILE 135 HB ILE 135 -14.044 -19.139 -15.821 1016 1HG1 ILE 135 2HG1 ILE 135 -11.669 -20.199 -15.945 1017 2HG1 ILE 135 1HG1 ILE 135 -11.108 -18.598 -15.478 1018 1HG2 ILE 135 1HG2 ILE 135 -13.894 -18.485 -18.155 1019 2HG2 ILE 135 2HG2 ILE 135 -12.951 -19.945 -17.855 1020 3HG2 ILE 135 3HG2 ILE 135 -12.137 -18.390 -18.031 1021 1HD1 ILE 135 1HD1 ILE 135 -12.436 -18.718 -13.445 1022 2HD1 ILE 135 2HD1 ILE 135 -11.316 -20.076 -13.562 1023 3HD1 ILE 135 3HD1 ILE 135 -13.028 -20.310 -13.920 1024 H GLY 136 H GLY 136 -13.078 -15.209 -17.483 1025 1HA GLY 136 2HA GLY 136 -15.583 -15.628 -18.818 1026 2HA GLY 136 1HA GLY 136 -15.641 -14.273 -17.698 1027 H GLU 137 H GLU 137 -13.425 -12.962 -17.904 1028 HA GLU 137 HA GLU 137 -12.459 -11.302 -19.097 1029 1HB GLU 137 2HB GLU 137 -12.167 -13.553 -21.090 1030 2HB GLU 137 1HB GLU 137 -11.370 -11.997 -21.250 1031 1HG GLU 137 2HG GLU 137 -9.743 -13.387 -20.342 1032 2HG GLU 137 1HG GLU 137 -10.347 -12.478 -18.961 1033 H VAL 138 H VAL 138 -14.278 -10.025 -19.250 1034 HA VAL 138 HA VAL 138 -16.327 -10.372 -21.140 1035 HB VAL 138 HB VAL 138 -16.901 -7.944 -20.552 1036 1HG1 VAL 138 1HG1 VAL 138 -17.947 -9.869 -19.475 1037 2HG1 VAL 138 2HG1 VAL 138 -17.680 -8.566 -18.317 1038 3HG1 VAL 138 3HG1 VAL 138 -16.608 -9.966 -18.331 1039 1HG2 VAL 138 1HG2 VAL 138 -15.787 -7.032 -18.575 1040 2HG2 VAL 138 2HG2 VAL 138 -14.659 -7.215 -19.919 1041 3HG2 VAL 138 3HG2 VAL 138 -14.647 -8.377 -18.592 1042 H LEU 139 H LEU 139 -16.176 -10.208 -23.232 1043 HA LEU 139 HA LEU 139 -14.532 -8.057 -24.401 1044 1HB LEU 139 2HB LEU 139 -13.808 -10.312 -25.054 1045 2HB LEU 139 1HB LEU 139 -15.427 -10.678 -25.617 1046 HG LEU 139 HG LEU 139 -15.187 -8.908 -27.346 1047 1HD1 LEU 139 1HD1 LEU 139 -12.336 -8.801 -26.369 1048 2HD1 LEU 139 2HD1 LEU 139 -13.533 -7.513 -26.231 1049 3HD1 LEU 139 3HD1 LEU 139 -12.959 -8.015 -27.821 1050 1HD2 LEU 139 1HD2 LEU 139 -13.665 -10.174 -28.779 1051 2HD2 LEU 139 2HD2 LEU 139 -14.737 -11.244 -27.876 1052 3HD2 LEU 139 3HD2 LEU 139 -13.060 -11.045 -27.369 1053 H ALA 140 H ALA 140 -15.837 -6.381 -24.800 1054 HA ALA 140 HA ALA 140 -18.599 -6.939 -25.653 1055 1HB ALA 140 1HB ALA 140 -17.485 -4.461 -24.341 1056 2HB ALA 140 2HB ALA 140 -18.394 -5.740 -23.533 1057 3HB ALA 140 3HB ALA 140 -19.174 -4.748 -24.764 1058 H GLU 141 H GLU 141 -19.433 -4.694 -26.712 1059 HA GLU 141 HA GLU 141 -19.532 -3.410 -28.569 1060 1HB GLU 141 2HB GLU 141 -17.311 -2.560 -27.599 1061 2HB GLU 141 1HB GLU 141 -16.529 -3.572 -28.805 1062 1HG GLU 141 2HG GLU 141 -17.590 -2.339 -30.585 1063 2HG GLU 141 1HG GLU 141 -18.508 -1.389 -29.419 1064 H VAL 142 H VAL 142 -19.539 -6.313 -28.618 1065 HA VAL 142 HA VAL 142 -18.739 -6.781 -31.412 1066 HB VAL 142 HB VAL 142 -19.450 -8.885 -29.354 1067 1HG1 VAL 142 1HG1 VAL 142 -19.783 -9.592 -31.658 1068 2HG1 VAL 142 2HG1 VAL 142 -18.409 -10.437 -30.944 1069 3HG1 VAL 142 3HG1 VAL 142 -18.138 -9.101 -32.063 1070 1HG2 VAL 142 1HG2 VAL 142 -17.061 -9.352 -29.165 1071 2HG2 VAL 142 2HG2 VAL 142 -17.425 -7.701 -28.658 1072 3HG2 VAL 142 3HG2 VAL 142 -16.705 -8.000 -30.239 Start of MODEL 15 1 1H SER 1 1HT SER 1 -8.455 -18.239 -3.060 2 2H SER 1 2HT SER 1 -10.070 -18.281 -2.547 3 3H SER 1 3HT SER 1 -9.017 -19.542 -2.138 4 HA SER 1 HA SER 1 -9.404 -18.100 -0.262 5 1HB SER 1 2HB SER 1 -6.588 -17.744 -1.304 6 2HB SER 1 1HB SER 1 -7.103 -17.869 0.376 7 HG SER 1 HG SER 1 -6.179 -19.817 -0.734 8 HA PRO 2 HA PRO 2 -9.687 -13.901 -2.009 9 1HB PRO 2 2HB PRO 2 -12.112 -13.284 -1.103 10 2HB PRO 2 1HB PRO 2 -11.909 -14.403 -2.456 11 1HG PRO 2 2HG PRO 2 -12.558 -14.973 0.396 12 2HG PRO 2 1HG PRO 2 -13.126 -15.788 -1.071 13 1HD PRO 2 2HD PRO 2 -11.043 -16.639 0.619 14 2HD PRO 2 1HD PRO 2 -11.405 -17.265 -1.000 15 H GLU 3 H GLU 3 -9.270 -15.100 1.029 16 HA GLU 3 HA GLU 3 -10.110 -13.257 2.862 17 1HB GLU 3 2HB GLU 3 -7.469 -14.707 3.024 18 2HB GLU 3 1HB GLU 3 -8.455 -14.135 4.364 19 1HG GLU 3 2HG GLU 3 -9.154 -16.336 2.434 20 2HG GLU 3 1HG GLU 3 -8.686 -16.519 4.123 21 H ILE 4 H ILE 4 -6.636 -13.335 1.945 22 HA ILE 4 HA ILE 4 -6.501 -10.522 2.513 23 HB ILE 4 HB ILE 4 -4.712 -12.109 3.195 24 1HG1 ILE 4 2HG1 ILE 4 -3.562 -10.007 1.378 25 2HG1 ILE 4 1HG1 ILE 4 -4.480 -9.554 2.811 26 1HG2 ILE 4 1HG2 ILE 4 -3.047 -12.746 1.518 27 2HG2 ILE 4 2HG2 ILE 4 -4.083 -12.099 0.251 28 3HG2 ILE 4 3HG2 ILE 4 -4.614 -13.482 1.209 29 1HD1 ILE 4 1HD1 ILE 4 -2.906 -10.564 4.247 30 2HD1 ILE 4 2HD1 ILE 4 -1.991 -9.612 3.074 31 3HD1 ILE 4 3HD1 ILE 4 -2.090 -11.365 2.904 32 H MET 5 H MET 5 -7.219 -12.337 -0.207 33 HA MET 5 HA MET 5 -5.968 -10.891 -2.270 34 1HB MET 5 2HB MET 5 -7.142 -13.113 -2.488 35 2HB MET 5 1HB MET 5 -8.668 -12.247 -2.378 36 1HG MET 5 2HG MET 5 -7.975 -10.916 -4.373 37 2HG MET 5 1HG MET 5 -6.591 -11.995 -4.537 38 1HE MET 5 1HE MET 5 -10.366 -12.664 -3.541 39 2HE MET 5 2HE MET 5 -11.010 -13.206 -5.091 40 3HE MET 5 3HE MET 5 -10.446 -11.545 -4.906 41 H LYS 6 H LYS 6 -9.032 -10.535 -0.585 42 HA LYS 6 HA LYS 6 -9.578 -8.021 -1.952 43 1HB LYS 6 2HB LYS 6 -11.328 -9.834 -1.384 44 2HB LYS 6 1HB LYS 6 -11.199 -9.252 0.269 45 1HG LYS 6 2HG LYS 6 -11.965 -7.072 -0.386 46 2HG LYS 6 1HG LYS 6 -11.953 -7.543 -2.089 47 1HD LYS 6 2HD LYS 6 -13.609 -9.331 -1.504 48 2HD LYS 6 1HD LYS 6 -13.721 -8.613 0.103 49 1HE LYS 6 2HE LYS 6 -14.477 -6.517 -0.865 50 2HE LYS 6 1HE LYS 6 -14.313 -7.191 -2.487 51 1HZ LYS 6 1HZ LYS 6 -16.139 -8.232 -0.389 52 2HZ LYS 6 2HZ LYS 6 -16.014 -8.804 -1.979 53 3HZ LYS 6 3HZ LYS 6 -16.607 -7.241 -1.684 54 H ASN 7 H ASN 7 -8.277 -6.450 -1.199 55 HA ASN 7 HA ASN 7 -7.006 -6.517 1.298 56 1HB ASN 7 2HB ASN 7 -7.396 -4.243 -0.651 57 2HB ASN 7 1HB ASN 7 -6.411 -4.111 0.801 58 1HD2 ASN 7 1HD2 ASN 7 -6.616 -5.349 -2.411 59 2HD2 ASN 7 2HD2 ASN 7 -5.004 -5.966 -2.503 60 H LEU 8 H LEU 8 -7.650 -6.009 3.239 61 HA LEU 8 HA LEU 8 -10.260 -5.156 3.838 62 1HB LEU 8 2HB LEU 8 -8.758 -6.525 5.295 63 2HB LEU 8 1HB LEU 8 -7.819 -5.084 5.617 64 HG LEU 8 HG LEU 8 -10.701 -4.876 6.235 65 1HD1 LEU 8 1HD1 LEU 8 -8.835 -6.684 7.770 66 2HD1 LEU 8 2HD1 LEU 8 -10.353 -7.129 6.988 67 3HD1 LEU 8 3HD1 LEU 8 -10.365 -6.069 8.396 68 1HD2 LEU 8 1HD2 LEU 8 -8.175 -4.176 7.733 69 2HD2 LEU 8 2HD2 LEU 8 -9.816 -3.726 8.200 70 3HD2 LEU 8 3HD2 LEU 8 -9.111 -3.079 6.717 71 H SER 9 H SER 9 -7.252 -3.449 3.409 72 HA SER 9 HA SER 9 -8.088 -0.920 4.382 73 1HB SER 9 2HB SER 9 -6.137 -0.190 2.812 74 2HB SER 9 1HB SER 9 -5.768 -1.210 4.206 75 HG SER 9 HG SER 9 -4.846 -1.896 2.129 76 H ASN 10 H ASN 10 -8.250 -2.543 1.281 77 HA ASN 10 HA ASN 10 -9.252 -0.319 -0.206 78 1HB ASN 10 2HB ASN 10 -8.113 -2.480 -1.072 79 2HB ASN 10 1HB ASN 10 -9.697 -3.220 -0.905 80 1HD2 ASN 10 1HD2 ASN 10 -11.154 -0.812 -1.727 81 2HD2 ASN 10 2HD2 ASN 10 -10.895 -0.667 -3.433 82 H ASN 11 H ASN 11 -10.617 -2.794 1.824 83 HA ASN 11 HA ASN 11 -13.333 -2.441 1.086 84 1HB ASN 11 2HB ASN 11 -12.088 -3.433 3.662 85 2HB ASN 11 1HB ASN 11 -13.823 -3.419 3.366 86 1HD2 ASN 11 1HD2 ASN 11 -12.098 -5.679 3.897 87 2HD2 ASN 11 2HD2 ASN 11 -12.222 -6.729 2.530 88 H PHE 12 H PHE 12 -11.292 -0.998 3.615 89 HA PHE 12 HA PHE 12 -13.043 0.926 4.567 90 1HB PHE 12 2HB PHE 12 -10.074 1.089 4.085 91 2HB PHE 12 1HB PHE 12 -10.978 2.409 4.813 92 HD1 PHE 12 1HD PHE 12 -12.703 1.337 6.723 93 HD2 PHE 12 2HD PHE 12 -8.853 -0.083 5.603 94 HE1 PHE 12 1HE PHE 12 -12.437 0.315 8.945 95 HE2 PHE 12 2HE PHE 12 -8.583 -1.113 7.820 96 HZ PHE 12 HZ PHE 12 -10.375 -0.915 9.494 97 H GLY 13 H GLY 13 -10.492 2.066 2.333 98 1HA GLY 13 2HA GLY 13 -10.570 3.777 0.797 99 2HA GLY 13 1HA GLY 13 -11.962 2.905 0.184 100 H LYS 14 H LYS 14 -11.764 4.555 3.313 101 HA LYS 14 HA LYS 14 -14.260 5.817 2.958 102 1HB LYS 14 2HB LYS 14 -13.025 5.194 5.129 103 2HB LYS 14 1HB LYS 14 -12.144 6.698 4.920 104 1HG LYS 14 2HG LYS 14 -15.146 6.570 5.072 105 2HG LYS 14 1HG LYS 14 -14.117 6.750 6.490 106 1HD LYS 14 2HD LYS 14 -14.251 8.640 4.137 107 2HD LYS 14 1HD LYS 14 -14.971 8.908 5.725 108 1HE LYS 14 2HE LYS 14 -12.022 8.561 5.188 109 2HE LYS 14 1HE LYS 14 -12.834 10.109 5.411 110 1HZ LYS 14 1HZ LYS 14 -11.754 9.348 7.436 111 2HZ LYS 14 2HZ LYS 14 -12.691 7.936 7.432 112 3HZ LYS 14 3HZ LYS 14 -13.434 9.446 7.643 113 H ALA 15 H ALA 15 -10.936 6.930 2.540 114 HA ALA 15 HA ALA 15 -11.954 9.257 1.109 115 1HB ALA 15 1HB ALA 15 -9.969 9.505 3.365 116 2HB ALA 15 2HB ALA 15 -11.651 10.030 3.408 117 3HB ALA 15 3HB ALA 15 -10.512 10.808 2.309 118 H MET 16 H MET 16 -11.164 8.508 -0.800 119 HA MET 16 HA MET 16 -8.366 7.849 -1.108 120 1HB MET 16 2HB MET 16 -10.504 8.400 -3.181 121 2HB MET 16 1HB MET 16 -8.887 7.804 -3.529 122 1HG MET 16 2HG MET 16 -9.352 5.772 -2.279 123 2HG MET 16 1HG MET 16 -10.964 6.370 -1.892 124 1HE MET 16 1HE MET 16 -10.413 3.523 -3.209 125 2HE MET 16 2HE MET 16 -11.674 3.470 -4.443 126 3HE MET 16 3HE MET 16 -12.032 4.114 -2.839 127 H ASP 17 H ASP 17 -10.529 10.514 -1.473 128 HA ASP 17 HA ASP 17 -9.018 12.370 -2.880 129 1HB ASP 17 2HB ASP 17 -11.338 12.773 -2.405 130 2HB ASP 17 1HB ASP 17 -11.041 12.726 -0.672 131 H GLN 18 H GLN 18 -8.868 11.482 0.512 132 HA GLN 18 HA GLN 18 -7.310 13.865 1.064 133 1HB GLN 18 2HB GLN 18 -8.535 11.802 2.868 134 2HB GLN 18 1HB GLN 18 -7.403 13.009 3.466 135 1HG GLN 18 2HG GLN 18 -9.024 14.678 2.253 136 2HG GLN 18 1HG GLN 18 -10.176 13.359 2.439 137 1HE2 GLN 18 1HE2 GLN 18 -10.127 16.007 3.663 138 2HE2 GLN 18 2HE2 GLN 18 -10.145 15.742 5.371 139 H CYS 19 H CYS 19 -6.816 10.441 0.665 140 HA CYS 19 HA CYS 19 -4.160 10.506 1.701 141 1HB CYS 19 2HB CYS 19 -5.317 8.370 1.543 142 2HB CYS 19 1HB CYS 19 -5.427 8.529 -0.203 143 H LYS 20 H LYS 20 -5.674 11.035 -1.421 144 HA LYS 20 HA LYS 20 -3.347 11.264 -2.986 145 1HB LYS 20 2HB LYS 20 -5.064 11.187 -4.425 146 2HB LYS 20 1HB LYS 20 -6.201 11.762 -3.236 147 1HG LYS 20 2HG LYS 20 -6.261 13.261 -5.055 148 2HG LYS 20 1HG LYS 20 -5.435 14.082 -3.736 149 1HD LYS 20 2HD LYS 20 -3.294 13.718 -4.780 150 2HD LYS 20 1HD LYS 20 -4.031 12.719 -6.043 151 1HE LYS 20 2HE LYS 20 -5.195 14.585 -6.951 152 2HE LYS 20 1HE LYS 20 -4.808 15.591 -5.558 153 1HZ LYS 20 1HZ LYS 20 -2.534 15.667 -6.213 154 2HZ LYS 20 2HZ LYS 20 -3.468 16.074 -7.566 155 3HZ LYS 20 3HZ LYS 20 -2.779 14.531 -7.446 156 H ASP 21 H ASP 21 -5.175 13.470 -1.052 157 HA ASP 21 HA ASP 21 -3.857 15.854 -1.811 158 1HB ASP 21 2HB ASP 21 -6.091 15.825 -0.797 159 2HB ASP 21 1HB ASP 21 -5.406 15.207 0.702 160 H GLU 22 H GLU 22 -3.297 13.541 0.818 161 HA GLU 22 HA GLU 22 -1.472 15.255 2.202 162 1HB GLU 22 2HB GLU 22 -2.096 12.333 2.494 163 2HB GLU 22 1HB GLU 22 -0.837 13.107 3.426 164 1HG GLU 22 2HG GLU 22 -3.628 14.152 3.432 165 2HG GLU 22 1HG GLU 22 -3.114 12.860 4.509 166 H LEU 23 H LEU 23 -1.014 12.493 -0.040 167 HA LEU 23 HA LEU 23 1.864 12.724 0.332 168 1HB LEU 23 2HB LEU 23 0.406 10.951 -1.614 169 2HB LEU 23 1HB LEU 23 2.063 10.787 -1.076 170 HG LEU 23 HG LEU 23 -0.466 10.175 0.410 171 1HD1 LEU 23 1HD1 LEU 23 0.548 8.388 -0.890 172 2HD1 LEU 23 2HD1 LEU 23 0.677 8.061 0.839 173 3HD1 LEU 23 3HD1 LEU 23 2.083 8.639 -0.056 174 1HD2 LEU 23 1HD2 LEU 23 1.101 11.685 1.675 175 2HD2 LEU 23 2HD2 LEU 23 2.227 10.321 1.719 176 3HD2 LEU 23 3HD2 LEU 23 0.632 10.177 2.470 177 H SER 24 H SER 24 -0.404 14.255 -1.453 178 HA SER 24 HA SER 24 -0.328 15.803 -3.108 179 1HB SER 24 2HB SER 24 1.776 16.439 -1.779 180 2HB SER 24 1HB SER 24 2.688 15.577 -3.014 181 HG SER 24 HG SER 24 2.622 17.699 -3.624 182 H LEU 25 H LEU 25 -0.544 13.036 -3.678 183 HA LEU 25 HA LEU 25 1.119 11.949 -5.586 184 1HB LEU 25 2HB LEU 25 -1.878 11.716 -5.410 185 2HB LEU 25 1HB LEU 25 -0.893 10.728 -6.463 186 HG LEU 25 HG LEU 25 0.330 9.978 -4.358 187 1HD1 LEU 25 1HD1 LEU 25 -0.957 10.087 -2.291 188 2HD1 LEU 25 2HD1 LEU 25 -2.139 11.127 -3.087 189 3HD1 LEU 25 3HD1 LEU 25 -0.484 11.690 -2.851 190 1HD2 LEU 25 1HD2 LEU 25 -1.407 8.335 -3.811 191 2HD2 LEU 25 2HD2 LEU 25 -1.113 8.492 -5.546 192 3HD2 LEU 25 3HD2 LEU 25 -2.540 9.236 -4.819 193 HA PRO 26 HA PRO 26 0.450 14.656 -9.120 194 1HB PRO 26 2HB PRO 26 2.493 12.954 -10.356 195 2HB PRO 26 1HB PRO 26 2.538 14.687 -10.024 196 1HG PRO 26 2HG PRO 26 4.065 12.947 -8.654 197 2HG PRO 26 1HG PRO 26 3.372 14.391 -7.888 198 1HD PRO 26 2HD PRO 26 2.393 11.555 -7.809 199 2HD PRO 26 1HD PRO 26 2.564 12.709 -6.465 200 H ASP 27 H ASP 27 -0.111 14.252 -11.377 201 HA ASP 27 HA ASP 27 -2.186 12.369 -11.506 202 1HB ASP 27 2HB ASP 27 -2.446 13.088 -13.852 203 2HB ASP 27 1HB ASP 27 -2.326 14.430 -12.720 204 H SER 28 H SER 28 1.134 12.134 -12.637 205 HA SER 28 HA SER 28 0.716 9.859 -14.283 206 1HB SER 28 2HB SER 28 2.761 11.283 -14.376 207 2HB SER 28 1HB SER 28 3.240 10.649 -12.804 208 HG SER 28 HG SER 28 3.517 9.555 -15.272 209 H VAL 29 H VAL 29 1.360 10.314 -10.869 210 HA VAL 29 HA VAL 29 1.831 7.545 -10.345 211 HB VAL 29 HB VAL 29 1.225 9.749 -8.368 212 1HG1 VAL 29 1HG1 VAL 29 2.957 7.610 -7.461 213 2HG1 VAL 29 2HG1 VAL 29 1.378 7.000 -7.971 214 3HG1 VAL 29 3HG1 VAL 29 1.482 8.254 -6.735 215 1HG2 VAL 29 1HG2 VAL 29 3.877 8.727 -9.384 216 2HG2 VAL 29 2HG2 VAL 29 3.653 9.914 -8.098 217 3HG2 VAL 29 3HG2 VAL 29 3.158 10.297 -9.746 218 H VAL 30 H VAL 30 -0.894 9.785 -9.613 219 HA VAL 30 HA VAL 30 -2.641 7.898 -8.504 220 HB VAL 30 HB VAL 30 -4.465 9.361 -9.048 221 1HG1 VAL 30 1HG1 VAL 30 -3.463 11.590 -8.323 222 2HG1 VAL 30 2HG1 VAL 30 -1.922 10.736 -8.275 223 3HG1 VAL 30 3HG1 VAL 30 -3.256 10.207 -7.249 224 1HG2 VAL 30 1HG2 VAL 30 -4.231 11.315 -10.502 225 2HG2 VAL 30 2HG2 VAL 30 -3.979 9.811 -11.387 226 3HG2 VAL 30 3HG2 VAL 30 -2.597 10.802 -10.923 227 H ALA 31 H ALA 31 -1.905 8.592 -11.883 228 HA ALA 31 HA ALA 31 -3.996 7.130 -13.070 229 1HB ALA 31 1HB ALA 31 -1.237 7.653 -14.142 230 2HB ALA 31 2HB ALA 31 -2.603 8.766 -14.259 231 3HB ALA 31 3HB ALA 31 -2.657 7.210 -15.090 232 H ASP 32 H ASP 32 -0.630 6.229 -12.378 233 HA ASP 32 HA ASP 32 -0.865 3.547 -13.313 234 1HB ASP 32 2HB ASP 32 1.224 5.109 -12.705 235 2HB ASP 32 1HB ASP 32 1.087 4.256 -11.173 236 H LEU 33 H LEU 33 -1.114 5.138 -10.230 237 HA LEU 33 HA LEU 33 -1.510 3.066 -8.481 238 1HB LEU 33 2HB LEU 33 -1.193 5.549 -8.091 239 2HB LEU 33 1HB LEU 33 -2.876 5.766 -8.501 240 HG LEU 33 HG LEU 33 -2.326 5.844 -6.073 241 1HD1 LEU 33 1HD1 LEU 33 -4.564 5.437 -6.954 242 2HD1 LEU 33 2HD1 LEU 33 -4.287 4.656 -5.391 243 3HD1 LEU 33 3HD1 LEU 33 -4.268 3.697 -6.874 244 1HD2 LEU 33 1HD2 LEU 33 -0.648 4.095 -6.068 245 2HD2 LEU 33 2HD2 LEU 33 -1.887 2.888 -6.440 246 3HD2 LEU 33 3HD2 LEU 33 -1.931 3.754 -4.901 247 H TYR 34 H TYR 34 -4.059 4.984 -10.109 248 HA TYR 34 HA TYR 34 -6.135 3.233 -9.358 249 1HB TYR 34 2HB TYR 34 -5.973 5.367 -11.459 250 2HB TYR 34 1HB TYR 34 -7.447 4.449 -11.160 251 HD1 TYR 34 1HD TYR 34 -6.239 7.504 -10.606 252 HD2 TYR 34 2HD TYR 34 -7.603 4.196 -8.310 253 HE1 TYR 34 1HE TYR 34 -6.791 9.024 -8.755 254 HE2 TYR 34 2HE TYR 34 -8.161 5.705 -6.453 255 HH TYR 34 HH TYR 34 -7.415 7.964 -5.643 256 H ASN 35 H ASN 35 -3.812 1.942 -11.182 257 HA ASN 35 HA ASN 35 -4.996 1.134 -13.582 258 1HB ASN 35 2HB ASN 35 -2.627 0.796 -13.161 259 2HB ASN 35 1HB ASN 35 -2.988 -0.298 -11.831 260 1HD2 ASN 35 1HD2 ASN 35 -1.812 -1.945 -12.780 261 2HD2 ASN 35 2HD2 ASN 35 -2.394 -2.825 -14.146 262 H PHE 36 H PHE 36 -6.828 0.123 -13.834 263 HA PHE 36 HA PHE 36 -8.142 -1.155 -11.626 264 1HB PHE 36 2HB PHE 36 -9.289 0.342 -13.258 265 2HB PHE 36 1HB PHE 36 -9.045 -0.879 -14.499 266 HD1 PHE 36 1HD PHE 36 -10.394 -2.857 -14.579 267 HD2 PHE 36 2HD PHE 36 -10.861 -0.029 -11.437 268 HE1 PHE 36 1HE PHE 36 -12.521 -3.915 -13.945 269 HE2 PHE 36 2HE PHE 36 -12.988 -1.081 -10.798 270 HZ PHE 36 HZ PHE 36 -13.821 -3.030 -12.054 271 H TRP 37 H TRP 37 -6.357 -2.215 -14.405 272 HA TRP 37 HA TRP 37 -7.576 -4.863 -14.381 273 1HB TRP 37 2HB TRP 37 -5.396 -3.712 -16.142 274 2HB TRP 37 1HB TRP 37 -6.168 -5.281 -16.358 275 HD1 TRP 37 HD TRP 37 -8.748 -5.274 -17.171 276 HE1 TRP 37 1HE TRP 37 -10.102 -3.523 -18.484 277 HE3 TRP 37 3HE TRP 37 -5.680 -1.238 -16.515 278 HZ2 TRP 37 2HZ TRP 37 -9.888 -0.787 -19.151 279 HZ3 TRP 37 3HZ TRP 37 -6.328 0.911 -17.523 280 HH2 TRP 37 HH TRP 37 -8.389 1.129 -18.814 281 H LYS 38 H LYS 38 -6.241 -6.786 -14.342 282 HA LYS 38 HA LYS 38 -4.480 -6.620 -12.058 283 1HB LYS 38 2HB LYS 38 -5.328 -9.071 -13.607 284 2HB LYS 38 1HB LYS 38 -4.536 -9.045 -12.037 285 1HG LYS 38 2HG LYS 38 -6.702 -9.378 -11.409 286 2HG LYS 38 1HG LYS 38 -6.626 -7.622 -11.351 287 1HD LYS 38 2HD LYS 38 -7.603 -7.528 -13.609 288 2HD LYS 38 1HD LYS 38 -7.712 -9.289 -13.623 289 1HE LYS 38 2HE LYS 38 -9.138 -9.130 -11.572 290 2HE LYS 38 1HE LYS 38 -9.148 -7.380 -11.787 291 1HZ LYS 38 1HZ LYS 38 -10.163 -7.702 -13.968 292 2HZ LYS 38 2HZ LYS 38 -11.117 -8.376 -12.742 293 3HZ LYS 38 3HZ LYS 38 -10.173 -9.380 -13.730 294 H ASP 39 H ASP 39 -3.177 -5.284 -13.747 295 HA ASP 39 HA ASP 39 -1.483 -6.245 -15.601 296 1HB ASP 39 2HB ASP 39 -1.597 -3.960 -14.234 297 2HB ASP 39 1HB ASP 39 -0.156 -4.645 -13.489 298 H ASP 40 H ASP 40 -0.828 -6.688 -12.060 299 HA ASP 40 HA ASP 40 0.476 -8.149 -10.951 300 1HB ASP 40 2HB ASP 40 -0.004 -9.579 -13.482 301 2HB ASP 40 1HB ASP 40 1.449 -10.075 -12.622 302 H TYR 41 H TYR 41 1.499 -5.880 -12.642 303 HA TYR 41 HA TYR 41 4.170 -6.620 -13.360 304 1HB TYR 41 2HB TYR 41 4.465 -4.422 -14.116 305 2HB TYR 41 1HB TYR 41 2.767 -4.744 -14.415 306 HD1 TYR 41 1HD TYR 41 4.283 -2.035 -14.104 307 HD2 TYR 41 2HD TYR 41 1.937 -4.370 -11.453 308 HE1 TYR 41 1HE TYR 41 3.719 -0.008 -12.830 309 HE2 TYR 41 2HE TYR 41 1.339 -2.353 -10.177 310 HH TYR 41 HH TYR 41 1.818 0.749 -11.299 311 H VAL 42 H VAL 42 5.901 -4.967 -12.516 312 HA VAL 42 HA VAL 42 6.021 -5.292 -9.624 313 HB VAL 42 HB VAL 42 8.138 -4.157 -11.462 314 1HG1 VAL 42 1HG1 VAL 42 8.435 -3.560 -9.127 315 2HG1 VAL 42 2HG1 VAL 42 9.668 -4.718 -9.627 316 3HG1 VAL 42 3HG1 VAL 42 8.296 -5.253 -8.657 317 1HG2 VAL 42 1HG2 VAL 42 7.595 -6.423 -12.153 318 2HG2 VAL 42 2HG2 VAL 42 7.798 -6.995 -10.496 319 3HG2 VAL 42 3HG2 VAL 42 9.185 -6.372 -11.391 320 H MET 43 H MET 43 5.722 -3.661 -8.244 321 HA MET 43 HA MET 43 4.637 -1.194 -9.085 322 1HB MET 43 2HB MET 43 4.114 -2.287 -6.924 323 2HB MET 43 1HB MET 43 5.749 -1.953 -6.376 324 1HG MET 43 2HG MET 43 5.334 0.421 -6.457 325 2HG MET 43 1HG MET 43 3.726 0.150 -7.133 326 1HE MET 43 1HE MET 43 1.802 -1.189 -5.782 327 2HE MET 43 2HE MET 43 2.002 -1.748 -4.118 328 3HE MET 43 3HE MET 43 2.936 -2.490 -5.417 329 H THR 44 H THR 44 5.826 0.244 -10.164 330 HA THR 44 HA THR 44 8.678 0.358 -9.709 331 HB THR 44 HB THR 44 8.645 1.926 -11.673 332 HG1 THR 44 1HG THR 44 6.771 2.450 -12.584 333 1HG2 THR 44 1HG2 THR 44 8.859 -0.654 -11.698 334 2HG2 THR 44 2HG2 THR 44 8.530 0.183 -13.215 335 3HG2 THR 44 3HG2 THR 44 7.220 -0.626 -12.352 336 H ASP 45 H ASP 45 5.881 2.543 -9.398 337 HA ASP 45 HA ASP 45 7.663 4.654 -8.403 338 1HB ASP 45 2HB ASP 45 5.614 5.030 -9.968 339 2HB ASP 45 1HB ASP 45 4.676 4.892 -8.487 340 H ARG 46 H ARG 46 8.260 4.657 -6.535 341 HA ARG 46 HA ARG 46 7.364 3.318 -4.323 342 1HB ARG 46 2HB ARG 46 8.693 4.819 -3.016 343 2HB ARG 46 1HB ARG 46 9.526 4.513 -4.519 344 1HG ARG 46 2HG ARG 46 7.893 7.000 -3.967 345 2HG ARG 46 1HG ARG 46 9.636 6.867 -3.732 346 1HD ARG 46 2HD ARG 46 8.299 6.292 -6.357 347 2HD ARG 46 1HD ARG 46 8.856 7.889 -5.892 348 HE ARG 46 HE ARG 46 10.528 5.559 -6.471 349 1HH1 ARG 46 1HH1 ARG 46 10.267 8.966 -5.680 350 2HH1 ARG 46 2HH1 ARG 46 11.944 9.301 -6.028 351 1HH2 ARG 46 1HH2 ARG 46 12.708 6.002 -6.967 352 2HH2 ARG 46 2HH2 ARG 46 13.331 7.616 -6.773 353 H LEU 47 H LEU 47 6.230 6.436 -5.543 354 HA LEU 47 HA LEU 47 4.907 7.203 -3.188 355 1HB LEU 47 2HB LEU 47 5.684 8.859 -4.649 356 2HB LEU 47 1HB LEU 47 4.917 8.166 -6.048 357 HG LEU 47 HG LEU 47 2.733 8.800 -5.084 358 1HD1 LEU 47 1HD1 LEU 47 2.529 9.783 -3.102 359 2HD1 LEU 47 2HD1 LEU 47 4.041 10.658 -3.220 360 3HD1 LEU 47 3HD1 LEU 47 4.032 8.960 -2.736 361 1HD2 LEU 47 1HD2 LEU 47 4.059 10.156 -6.702 362 2HD2 LEU 47 2HD2 LEU 47 4.673 11.083 -5.327 363 3HD2 LEU 47 3HD2 LEU 47 2.948 11.092 -5.696 364 H ALA 48 H ALA 48 4.099 5.018 -5.710 365 HA ALA 48 HA ALA 48 1.252 5.102 -5.319 366 1HB ALA 48 1HB ALA 48 2.333 4.295 -7.431 367 2HB ALA 48 2HB ALA 48 1.172 3.163 -6.736 368 3HB ALA 48 3HB ALA 48 2.902 2.887 -6.537 369 H GLY 49 H GLY 49 3.737 2.615 -4.700 370 1HA GLY 49 2HA GLY 49 2.834 1.143 -2.678 371 2HA GLY 49 1HA GLY 49 4.435 1.843 -2.613 372 H CYS 50 H CYS 50 3.822 4.565 -2.081 373 HA CYS 50 HA CYS 50 3.418 4.441 0.694 374 1HB CYS 50 2HB CYS 50 3.252 6.875 -1.097 375 2HB CYS 50 1HB CYS 50 3.524 6.872 0.640 376 H ALA 51 H ALA 51 1.341 5.431 -2.016 377 HA ALA 51 HA ALA 51 -0.776 6.404 -0.391 378 1HB ALA 51 1HB ALA 51 -0.872 5.447 -3.247 379 2HB ALA 51 2HB ALA 51 -0.462 7.079 -2.721 380 3HB ALA 51 3HB ALA 51 -2.081 6.441 -2.436 381 H ILE 52 H ILE 52 0.073 3.222 -1.504 382 HA ILE 52 HA ILE 52 -2.496 2.067 -0.952 383 HB ILE 52 HB ILE 52 0.193 0.732 -1.332 384 1HG1 ILE 52 2HG1 ILE 52 -2.110 1.167 -3.245 385 2HG1 ILE 52 1HG1 ILE 52 -0.565 2.008 -3.290 386 1HG2 ILE 52 1HG2 ILE 52 -1.079 -1.319 -1.743 387 2HG2 ILE 52 2HG2 ILE 52 -2.574 -0.471 -1.348 388 3HG2 ILE 52 3HG2 ILE 52 -1.344 -0.713 -0.109 389 1HD1 ILE 52 1HD1 ILE 52 -0.992 -0.938 -3.732 390 2HD1 ILE 52 2HD1 ILE 52 0.562 -0.108 -3.760 391 3HD1 ILE 52 3HD1 ILE 52 -0.660 0.272 -4.972 392 H ASN 53 H ASN 53 0.358 2.794 0.851 393 HA ASN 53 HA ASN 53 -0.732 1.358 3.194 394 1HB ASN 53 2HB ASN 53 2.123 2.161 2.554 395 2HB ASN 53 1HB ASN 53 1.612 1.477 4.092 396 1HD2 ASN 53 1HD2 ASN 53 2.199 0.856 0.723 397 2HD2 ASN 53 2HD2 ASN 53 2.157 -0.869 0.833 398 H CYS 54 H CYS 54 -1.905 3.670 2.553 399 HA CYS 54 HA CYS 54 -0.570 5.752 4.139 400 1HB CYS 54 2HB CYS 54 -0.420 6.690 2.087 401 2HB CYS 54 1HB CYS 54 -1.768 5.763 1.446 402 H LEU 55 H LEU 55 -3.739 4.470 3.161 403 HA LEU 55 HA LEU 55 -5.412 6.334 4.232 404 1HB LEU 55 2HB LEU 55 -5.766 3.348 4.107 405 2HB LEU 55 1HB LEU 55 -7.048 4.434 4.595 406 HG LEU 55 HG LEU 55 -7.448 3.926 2.330 407 1HD1 LEU 55 1HD1 LEU 55 -6.085 6.606 2.431 408 2HD1 LEU 55 2HD1 LEU 55 -7.756 6.266 2.877 409 3HD1 LEU 55 3HD1 LEU 55 -7.235 6.076 1.205 410 1HD2 LEU 55 1HD2 LEU 55 -4.566 4.606 1.763 411 2HD2 LEU 55 2HD2 LEU 55 -5.783 4.204 0.551 412 3HD2 LEU 55 3HD2 LEU 55 -5.288 2.998 1.737 413 H ALA 56 H ALA 56 -4.978 3.284 6.033 414 HA ALA 56 HA ALA 56 -5.902 4.648 8.404 415 1HB ALA 56 1HB ALA 56 -5.073 1.770 8.034 416 2HB ALA 56 2HB ALA 56 -6.713 2.397 7.865 417 3HB ALA 56 3HB ALA 56 -5.910 2.440 9.435 418 H THR 57 H THR 57 -2.904 3.921 6.996 419 HA THR 57 HA THR 57 -1.413 3.725 9.434 420 HB THR 57 HB THR 57 -0.148 4.410 6.799 421 HG1 THR 57 1HG THR 57 -0.357 1.748 7.127 422 1HG2 THR 57 1HG2 THR 57 1.016 4.066 9.096 423 2HG2 THR 57 2HG2 THR 57 1.697 3.290 7.660 424 3HG2 THR 57 3HG2 THR 57 0.720 2.352 8.793 425 H LYS 58 H LYS 58 -2.247 6.288 7.143 426 HA LYS 58 HA LYS 58 -0.676 8.232 8.573 427 1HB LYS 58 2HB LYS 58 -2.719 8.495 6.370 428 2HB LYS 58 1HB LYS 58 -1.937 9.882 7.111 429 1HG LYS 58 2HG LYS 58 -0.127 7.787 6.110 430 2HG LYS 58 1HG LYS 58 -1.058 8.647 4.886 431 1HD LYS 58 2HD LYS 58 0.631 10.011 6.991 432 2HD LYS 58 1HD LYS 58 1.189 9.631 5.367 433 1HE LYS 58 2HE LYS 58 0.518 11.892 5.330 434 2HE LYS 58 1HE LYS 58 -0.745 10.988 4.501 435 1HZ LYS 58 1HZ LYS 58 -1.525 12.729 6.101 436 2HZ LYS 58 2HZ LYS 58 -0.922 11.766 7.361 437 3HZ LYS 58 3HZ LYS 58 -2.166 11.183 6.367 438 H LEU 59 H LEU 59 -3.919 6.977 8.726 439 HA LEU 59 HA LEU 59 -5.136 9.050 10.176 440 1HB LEU 59 2HB LEU 59 -5.609 6.084 10.293 441 2HB LEU 59 1HB LEU 59 -6.635 7.281 11.057 442 HG LEU 59 HG LEU 59 -6.314 6.650 8.151 443 1HD1 LEU 59 1HD1 LEU 59 -8.575 7.052 10.066 444 2HD1 LEU 59 2HD1 LEU 59 -8.080 5.549 9.287 445 3HD1 LEU 59 3HD1 LEU 59 -8.808 6.842 8.331 446 1HD2 LEU 59 1HD2 LEU 59 -5.997 8.976 8.017 447 2HD2 LEU 59 2HD2 LEU 59 -7.127 9.291 9.334 448 3HD2 LEU 59 3HD2 LEU 59 -7.729 8.747 7.769 449 H ASP 60 H ASP 60 -3.673 6.031 11.471 450 HA ASP 60 HA ASP 60 -2.473 7.304 13.692 451 1HB ASP 60 2HB ASP 60 -4.893 7.594 14.309 452 2HB ASP 60 1HB ASP 60 -5.042 5.842 14.351 453 H VAL 61 H VAL 61 -0.840 5.972 14.197 454 HA VAL 61 HA VAL 61 -1.132 3.250 14.831 455 HB VAL 61 HB VAL 61 -1.510 3.159 12.337 456 1HG1 VAL 61 1HG1 VAL 61 0.079 4.833 11.625 457 2HG1 VAL 61 2HG1 VAL 61 0.451 3.282 10.870 458 3HG1 VAL 61 3HG1 VAL 61 1.417 3.856 12.231 459 1HG2 VAL 61 1HG2 VAL 61 0.288 1.284 12.062 460 2HG2 VAL 61 2HG2 VAL 61 -1.030 1.099 13.214 461 3HG2 VAL 61 3HG2 VAL 61 0.570 1.586 13.774 462 H VAL 62 H VAL 62 0.224 5.587 15.867 463 HA VAL 62 HA VAL 62 3.045 4.960 15.345 464 HB VAL 62 HB VAL 62 3.595 7.098 16.432 465 1HG1 VAL 62 1HG1 VAL 62 2.708 8.566 14.686 466 2HG1 VAL 62 2HG1 VAL 62 1.548 7.315 14.235 467 3HG1 VAL 62 3HG1 VAL 62 3.277 7.029 14.033 468 1HG2 VAL 62 1HG2 VAL 62 1.712 7.285 17.973 469 2HG2 VAL 62 2HG2 VAL 62 0.608 7.494 16.615 470 3HG2 VAL 62 3HG2 VAL 62 1.832 8.718 16.953 471 H ASP 63 H ASP 63 3.980 3.574 16.673 472 HA ASP 63 HA ASP 63 2.780 2.817 19.129 473 1HB ASP 63 2HB ASP 63 4.393 1.498 17.442 474 2HB ASP 63 1HB ASP 63 5.593 2.022 18.616 475 HA PRO 64 HA PRO 64 6.377 4.812 21.383 476 1HB PRO 64 2HB PRO 64 8.409 5.926 19.749 477 2HB PRO 64 1HB PRO 64 8.434 4.354 20.548 478 1HG PRO 64 2HG PRO 64 8.395 4.733 17.803 479 2HG PRO 64 1HG PRO 64 7.897 3.245 18.629 480 1HD PRO 64 2HD PRO 64 6.199 5.521 17.651 481 2HD PRO 64 1HD PRO 64 5.930 3.778 17.475 482 H ASP 65 H ASP 65 8.112 7.113 20.730 483 HA ASP 65 HA ASP 65 6.274 9.166 21.486 484 1HB ASP 65 2HB ASP 65 9.220 8.924 21.155 485 2HB ASP 65 1HB ASP 65 8.531 10.543 21.147 486 H GLY 66 H GLY 66 6.523 7.943 18.584 487 1HA GLY 66 2HA GLY 66 5.230 9.599 17.031 488 2HA GLY 66 1HA GLY 66 6.755 10.463 17.108 489 H ASN 67 H ASN 67 8.671 9.294 16.477 490 HA ASN 67 HA ASN 67 8.321 7.987 13.957 491 1HB ASN 67 2HB ASN 67 10.890 7.783 14.181 492 2HB ASN 67 1HB ASN 67 10.198 9.401 14.078 493 1HD2 ASN 67 1HD2 ASN 67 11.659 7.043 16.212 494 2HD2 ASN 67 2HD2 ASN 67 11.999 8.143 17.509 495 H LEU 68 H LEU 68 9.507 5.961 13.437 496 HA LEU 68 HA LEU 68 10.156 3.814 13.716 497 1HB LEU 68 2HB LEU 68 10.499 4.829 16.495 498 2HB LEU 68 1HB LEU 68 10.525 3.097 16.242 499 HG LEU 68 HG LEU 68 12.775 4.227 16.302 500 1HD1 LEU 68 1HD1 LEU 68 12.101 2.759 13.756 501 2HD1 LEU 68 2HD1 LEU 68 12.427 2.007 15.316 502 3HD1 LEU 68 3HD1 LEU 68 13.696 2.912 14.492 503 1HD2 LEU 68 1HD2 LEU 68 11.935 6.193 14.918 504 2HD2 LEU 68 2HD2 LEU 68 12.135 5.139 13.517 505 3HD2 LEU 68 3HD2 LEU 68 13.527 5.546 14.521 506 H HIS 69 H HIS 69 7.325 4.702 13.873 507 HA HIS 69 HA HIS 69 6.014 2.670 15.405 508 1HB HIS 69 2HB HIS 69 4.005 3.330 13.942 509 2HB HIS 69 1HB HIS 69 4.667 4.554 15.016 510 HD1 HIS 69 1HD HIS 69 4.196 3.746 11.389 511 HD2 HIS 69 2HD HIS 69 5.894 6.735 13.736 512 HE1 HIS 69 1HE HIS 69 4.589 5.691 9.842 513 HE2 HIS 69 2HE HIS 69 5.476 7.534 11.317 514 H HIS 70 H HIS 70 7.648 1.094 14.430 515 HA HIS 70 HA HIS 70 6.806 -0.041 11.886 516 1HB HIS 70 2HB HIS 70 9.227 0.088 12.636 517 2HB HIS 70 1HB HIS 70 8.842 -1.145 13.832 518 HD1 HIS 70 1HD HIS 70 10.801 -1.289 11.209 519 HD2 HIS 70 2HD HIS 70 7.090 -3.084 11.756 520 HE1 HIS 70 1HE HIS 70 10.792 -3.293 9.698 521 HE2 HIS 70 2HE HIS 70 8.658 -4.506 10.261 522 H GLY 71 H GLY 71 6.952 -0.990 15.299 523 1HA GLY 71 2HA GLY 71 5.901 -3.560 15.115 524 2HA GLY 71 1HA GLY 71 5.802 -2.536 16.532 525 H ASN 72 H ASN 72 4.184 -0.557 15.840 526 HA ASN 72 HA ASN 72 1.647 -1.670 16.190 527 1HB ASN 72 2HB ASN 72 2.687 0.830 16.469 528 2HB ASN 72 1HB ASN 72 1.786 1.045 14.981 529 1HD2 ASN 72 1HD2 ASN 72 1.630 1.000 18.361 530 2HD2 ASN 72 2HD2 ASN 72 -0.098 1.052 18.514 531 H ALA 73 H ALA 73 3.284 -0.656 13.223 532 HA ALA 73 HA ALA 73 0.928 -0.652 11.631 533 1HB ALA 73 1HB ALA 73 2.905 0.653 11.025 534 2HB ALA 73 2HB ALA 73 2.447 -0.461 9.734 535 3HB ALA 73 3HB ALA 73 3.816 -0.839 10.783 536 H LYS 74 H LYS 74 3.420 -3.038 12.370 537 HA LYS 74 HA LYS 74 2.360 -4.872 10.417 538 1HB LYS 74 2HB LYS 74 4.497 -5.187 12.504 539 2HB LYS 74 1HB LYS 74 3.983 -6.497 11.452 540 1HG LYS 74 2HG LYS 74 5.276 -3.903 10.662 541 2HG LYS 74 1HG LYS 74 5.911 -5.533 10.480 542 1HD LYS 74 2HD LYS 74 3.407 -4.614 9.097 543 2HD LYS 74 1HD LYS 74 5.006 -4.426 8.384 544 1HE LYS 74 2HE LYS 74 4.069 -6.415 7.481 545 2HE LYS 74 1HE LYS 74 5.308 -6.908 8.630 546 1HZ LYS 74 1HZ LYS 74 2.432 -6.775 9.327 547 2HZ LYS 74 2HZ LYS 74 3.673 -7.528 10.204 548 3HZ LYS 74 3HZ LYS 74 3.162 -8.170 8.722 549 H ASP 75 H ASP 75 2.171 -4.449 13.916 550 HA ASP 75 HA ASP 75 0.694 -6.807 14.439 551 1HB ASP 75 2HB ASP 75 1.744 -5.569 16.253 552 2HB ASP 75 1HB ASP 75 0.727 -4.168 15.921 553 H PHE 76 H PHE 76 -0.258 -3.512 13.593 554 HA PHE 76 HA PHE 76 -3.031 -3.813 13.820 555 1HB PHE 76 2HB PHE 76 -1.806 -1.645 13.515 556 2HB PHE 76 1HB PHE 76 -1.553 -2.075 11.828 557 HD1 PHE 76 1HD PHE 76 -3.234 -1.712 10.216 558 HD2 PHE 76 2HD PHE 76 -4.126 -1.290 14.356 559 HE1 PHE 76 1HE PHE 76 -5.397 -0.690 9.641 560 HE2 PHE 76 2HE PHE 76 -6.289 -0.268 13.789 561 HZ PHE 76 HZ PHE 76 -6.929 0.035 11.431 562 H ALA 77 H ALA 77 -0.803 -4.523 11.183 563 HA ALA 77 HA ALA 77 -2.789 -5.243 9.280 564 1HB ALA 77 1HB ALA 77 -0.805 -6.506 8.242 565 2HB ALA 77 2HB ALA 77 0.151 -5.758 9.521 566 3HB ALA 77 3HB ALA 77 -0.710 -4.748 8.359 567 H MET 78 H MET 78 -1.099 -7.009 11.802 568 HA MET 78 HA MET 78 -1.876 -9.597 10.862 569 1HB MET 78 2HB MET 78 -0.830 -8.742 13.567 570 2HB MET 78 1HB MET 78 -1.068 -10.410 13.069 571 1HG MET 78 2HG MET 78 0.528 -10.021 11.215 572 2HG MET 78 1HG MET 78 0.841 -8.420 11.882 573 1HE MET 78 1HE MET 78 1.852 -8.042 14.348 574 2HE MET 78 2HE MET 78 2.364 -9.362 15.401 575 3HE MET 78 3HE MET 78 0.652 -9.130 15.047 576 H LYS 79 H LYS 79 -3.217 -7.319 13.192 577 HA LYS 79 HA LYS 79 -5.253 -9.292 13.870 578 1HB LYS 79 2HB LYS 79 -4.070 -7.732 15.554 579 2HB LYS 79 1HB LYS 79 -5.164 -6.492 14.957 580 1HG LYS 79 2HG LYS 79 -7.051 -7.597 15.752 581 2HG LYS 79 1HG LYS 79 -6.194 -9.130 15.928 582 1HD LYS 79 2HD LYS 79 -4.784 -8.002 17.691 583 2HD LYS 79 1HD LYS 79 -5.920 -6.653 17.616 584 1HE LYS 79 2HE LYS 79 -7.735 -8.065 18.303 585 2HE LYS 79 1HE LYS 79 -6.719 -9.502 18.190 586 1HZ LYS 79 1HZ LYS 79 -5.391 -8.709 20.013 587 2HZ LYS 79 2HZ LYS 79 -7.023 -8.709 20.484 588 3HZ LYS 79 3HZ LYS 79 -6.259 -7.252 20.079 589 H HIS 80 H HIS 80 -4.796 -6.929 11.550 590 HA HIS 80 HA HIS 80 -7.657 -6.961 10.912 591 1HB HIS 80 2HB HIS 80 -6.021 -4.413 10.812 592 2HB HIS 80 1HB HIS 80 -7.735 -4.580 10.456 593 HD1 HIS 80 1HD HIS 80 -9.301 -5.137 12.555 594 HD2 HIS 80 2HD HIS 80 -5.418 -3.922 13.431 595 HE1 HIS 80 1HE HIS 80 -9.312 -4.516 14.997 596 HE2 HIS 80 2HE HIS 80 -6.909 -3.968 15.541 597 H GLY 81 H GLY 81 -7.085 -8.447 9.221 598 1HA GLY 81 2HA GLY 81 -7.116 -7.929 6.732 599 2HA GLY 81 1HA GLY 81 -5.551 -7.190 7.026 600 H ALA 82 H ALA 82 -3.883 -8.646 7.982 601 HA ALA 82 HA ALA 82 -4.096 -11.288 6.693 602 1HB ALA 82 1HB ALA 82 -1.501 -10.037 7.517 603 2HB ALA 82 2HB ALA 82 -2.284 -9.568 6.004 604 3HB ALA 82 3HB ALA 82 -1.811 -11.247 6.267 605 H ASP 83 H ASP 83 -3.675 -13.129 7.895 606 HA ASP 83 HA ASP 83 -3.529 -12.781 10.759 607 1HB ASP 83 2HB ASP 83 -3.961 -14.994 11.025 608 2HB ASP 83 1HB ASP 83 -4.731 -14.689 9.481 609 H GLU 84 H GLU 84 -1.904 -14.195 11.924 610 HA GLU 84 HA GLU 84 0.284 -12.575 11.482 611 1HB GLU 84 2HB GLU 84 1.054 -13.395 13.580 612 2HB GLU 84 1HB GLU 84 -0.694 -13.313 13.624 613 1HG GLU 84 2HG GLU 84 -0.905 -15.662 13.340 614 2HG GLU 84 1HG GLU 84 0.834 -15.812 13.180 615 H THR 85 H THR 85 -0.563 -15.671 10.460 616 HA THR 85 HA THR 85 2.070 -16.754 10.176 617 HB THR 85 HB THR 85 -0.318 -17.896 10.233 618 HG1 THR 85 1HG THR 85 0.860 -19.671 8.906 619 1HG2 THR 85 1HG2 THR 85 -1.181 -17.050 8.171 620 2HG2 THR 85 2HG2 THR 85 -0.860 -18.773 7.948 621 3HG2 THR 85 3HG2 THR 85 0.254 -17.572 7.288 622 H MET 86 H MET 86 0.012 -14.630 8.282 623 HA MET 86 HA MET 86 1.525 -15.021 5.826 624 1HB MET 86 2HB MET 86 -0.499 -12.841 6.380 625 2HB MET 86 1HB MET 86 0.050 -13.424 4.821 626 1HG MET 86 2HG MET 86 -1.104 -15.502 5.138 627 2HG MET 86 1HG MET 86 -1.546 -15.033 6.783 628 1HE MET 86 1HE MET 86 -4.947 -14.914 4.733 629 2HE MET 86 2HE MET 86 -4.113 -15.654 6.101 630 3HE MET 86 3HE MET 86 -3.603 -16.020 4.455 631 H ALA 87 H ALA 87 1.077 -12.720 8.397 632 HA ALA 87 HA ALA 87 2.773 -10.708 7.404 633 1HB ALA 87 1HB ALA 87 1.529 -11.377 10.007 634 2HB ALA 87 2HB ALA 87 1.442 -9.892 9.059 635 3HB ALA 87 3HB ALA 87 2.884 -10.249 10.011 636 H GLN 88 H GLN 88 3.266 -13.610 9.305 637 HA GLN 88 HA GLN 88 5.942 -12.892 10.099 638 1HB GLN 88 2HB GLN 88 4.071 -15.090 10.654 639 2HB GLN 88 1HB GLN 88 5.768 -15.557 10.643 640 1HG GLN 88 2HG GLN 88 4.795 -14.874 12.868 641 2HG GLN 88 1HG GLN 88 6.297 -14.088 12.393 642 1HE2 GLN 88 1HE2 GLN 88 2.881 -13.666 12.950 643 2HE2 GLN 88 2HE2 GLN 88 2.903 -11.933 12.913 644 H GLN 89 H GLN 89 4.525 -14.803 7.499 645 HA GLN 89 HA GLN 89 7.111 -15.744 6.646 646 1HB GLN 89 2HB GLN 89 5.986 -16.542 4.630 647 2HB GLN 89 1HB GLN 89 5.110 -17.034 6.071 648 1HG GLN 89 2HG GLN 89 3.463 -15.303 5.701 649 2HG GLN 89 1HG GLN 89 4.371 -14.708 4.310 650 1HE2 GLN 89 1HE2 GLN 89 1.636 -15.708 4.478 651 2HE2 GLN 89 2HE2 GLN 89 1.538 -17.025 3.367 652 H LEU 90 H LEU 90 5.215 -12.902 6.199 653 HA LEU 90 HA LEU 90 6.643 -11.985 3.877 654 1HB LEU 90 2HB LEU 90 4.315 -11.335 4.244 655 2HB LEU 90 1HB LEU 90 4.752 -10.569 5.754 656 HG LEU 90 HG LEU 90 6.213 -9.001 4.369 657 1HD1 LEU 90 1HD1 LEU 90 4.417 -9.792 2.102 658 2HD1 LEU 90 2HD1 LEU 90 6.005 -10.534 2.324 659 3HD1 LEU 90 3HD1 LEU 90 5.873 -8.794 2.078 660 1HD2 LEU 90 1HD2 LEU 90 3.219 -8.936 4.026 661 2HD2 LEU 90 2HD2 LEU 90 4.308 -7.564 3.835 662 3HD2 LEU 90 3HD2 LEU 90 4.118 -8.326 5.413 663 H VAL 91 H VAL 91 6.623 -11.211 7.346 664 HA VAL 91 HA VAL 91 8.305 -8.982 7.291 665 HB VAL 91 HB VAL 91 8.809 -9.514 9.676 666 1HG1 VAL 91 1HG1 VAL 91 6.413 -9.373 10.455 667 2HG1 VAL 91 2HG1 VAL 91 5.954 -9.528 8.756 668 3HG1 VAL 91 3HG1 VAL 91 6.919 -8.150 9.284 669 1HG2 VAL 91 1HG2 VAL 91 7.490 -12.029 8.911 670 2HG2 VAL 91 2HG2 VAL 91 7.225 -11.414 10.540 671 3HG2 VAL 91 3HG2 VAL 91 8.864 -11.758 9.979 672 H ASP 92 H ASP 92 9.091 -12.382 7.279 673 HA ASP 92 HA ASP 92 11.799 -12.162 7.989 674 1HB ASP 92 2HB ASP 92 10.882 -14.295 8.201 675 2HB ASP 92 1HB ASP 92 10.163 -14.260 6.598 676 H ILE 93 H ILE 93 10.171 -12.297 4.834 677 HA ILE 93 HA ILE 93 12.528 -11.910 3.304 678 HB ILE 93 HB ILE 93 9.602 -11.687 2.737 679 1HG1 ILE 93 2HG1 ILE 93 10.122 -13.270 0.965 680 2HG1 ILE 93 1HG1 ILE 93 11.843 -13.088 1.277 681 1HG2 ILE 93 1HG2 ILE 93 10.671 -9.668 1.732 682 2HG2 ILE 93 2HG2 ILE 93 9.915 -10.757 0.567 683 3HG2 ILE 93 3HG2 ILE 93 11.667 -10.754 0.761 684 1HD1 ILE 93 1HD1 ILE 93 11.459 -14.046 3.545 685 2HD1 ILE 93 2HD1 ILE 93 11.089 -15.153 2.222 686 3HD1 ILE 93 3HD1 ILE 93 9.781 -14.338 3.080 687 H ILE 94 H ILE 94 10.128 -9.764 4.717 688 HA ILE 94 HA ILE 94 10.882 -7.351 3.565 689 HB ILE 94 HB ILE 94 9.867 -7.875 6.360 690 1HG1 ILE 94 2HG1 ILE 94 8.475 -6.836 3.887 691 2HG1 ILE 94 1HG1 ILE 94 8.331 -8.475 4.515 692 1HG2 ILE 94 1HG2 ILE 94 10.140 -5.243 4.913 693 2HG2 ILE 94 2HG2 ILE 94 11.057 -5.756 6.330 694 3HG2 ILE 94 3HG2 ILE 94 9.318 -5.486 6.455 695 1HD1 ILE 94 1HD1 ILE 94 7.558 -6.014 6.054 696 2HD1 ILE 94 2HD1 ILE 94 7.232 -7.693 6.480 697 3HD1 ILE 94 3HD1 ILE 94 6.436 -6.966 5.084 698 H HIS 95 H HIS 95 12.130 -8.910 6.498 699 HA HIS 95 HA HIS 95 13.898 -6.748 7.108 700 1HB HIS 95 2HB HIS 95 13.850 -9.573 8.179 701 2HB HIS 95 1HB HIS 95 14.831 -8.269 8.828 702 HD1 HIS 95 1HD HIS 95 12.948 -9.544 10.748 703 HD2 HIS 95 2HD HIS 95 11.799 -6.385 8.292 704 HE1 HIS 95 1HE HIS 95 10.965 -8.491 11.873 705 HE2 HIS 95 2HE HIS 95 10.431 -6.464 10.482 706 H GLY 96 H GLY 96 14.223 -9.738 5.300 707 1HA GLY 96 2HA GLY 96 17.109 -9.671 5.425 708 2HA GLY 96 1HA GLY 96 16.127 -10.801 4.502 709 H CYS 97 H CYS 97 14.679 -9.211 2.858 710 HA CYS 97 HA CYS 97 16.667 -8.447 1.001 711 1HB CYS 97 2HB CYS 97 14.000 -9.215 0.807 712 2HB CYS 97 1HB CYS 97 14.021 -7.546 0.250 713 H GLU 98 H GLU 98 14.585 -6.648 3.252 714 HA GLU 98 HA GLU 98 15.256 -4.065 2.397 715 1HB GLU 98 2HB GLU 98 13.571 -4.346 4.068 716 2HB GLU 98 1HB GLU 98 14.686 -5.176 5.143 717 1HG GLU 98 2HG GLU 98 15.951 -3.091 5.406 718 2HG GLU 98 1HG GLU 98 14.774 -2.267 4.381 719 H LYS 99 H LYS 99 17.030 -6.329 4.463 720 HA LYS 99 HA LYS 99 19.054 -4.512 5.209 721 1HB LYS 99 2HB LYS 99 18.558 -6.658 6.371 722 2HB LYS 99 1HB LYS 99 19.239 -7.519 4.995 723 1HG LYS 99 2HG LYS 99 20.875 -7.378 6.747 724 2HG LYS 99 1HG LYS 99 21.375 -6.383 5.380 725 1HD LYS 99 2HD LYS 99 20.543 -4.386 6.520 726 2HD LYS 99 1HD LYS 99 20.037 -5.377 7.889 727 1HE LYS 99 2HE LYS 99 22.856 -4.967 6.902 728 2HE LYS 99 1HE LYS 99 22.150 -4.299 8.374 729 1HZ LYS 99 1HZ LYS 99 22.741 -7.141 7.774 730 2HZ LYS 99 2HZ LYS 99 21.781 -6.657 9.088 731 3HZ LYS 99 3HZ LYS 99 23.407 -6.179 9.004 732 H SER 100 H SER 100 18.608 -6.625 2.451 733 HA SER 100 HA SER 100 21.263 -5.958 1.434 734 1HB SER 100 2HB SER 100 19.219 -7.735 0.109 735 2HB SER 100 1HB SER 100 20.971 -7.737 -0.105 736 HG SER 100 HG SER 100 19.454 -9.043 1.722 737 H ALA 101 H ALA 101 18.546 -4.315 1.486 738 HA ALA 101 HA ALA 101 18.034 -3.790 -1.280 739 1HB ALA 101 1HB ALA 101 17.215 -2.215 1.161 740 2HB ALA 101 2HB ALA 101 16.293 -3.524 0.423 741 3HB ALA 101 3HB ALA 101 16.559 -2.025 -0.466 742 HA PRO 102 HA PRO 102 20.961 -0.665 -2.480 743 1HB PRO 102 2HB PRO 102 18.535 1.062 -2.818 744 2HB PRO 102 1HB PRO 102 19.899 0.817 -3.915 745 1HG PRO 102 2HG PRO 102 17.579 -0.401 -4.356 746 2HG PRO 102 1HG PRO 102 19.114 -1.237 -4.652 747 1HD PRO 102 2HD PRO 102 17.151 -1.607 -2.459 748 2HD PRO 102 1HD PRO 102 18.259 -2.780 -3.193 749 HA PRO 103 HA PRO 103 21.540 1.581 1.290 750 1HB PRO 103 2HB PRO 103 23.530 3.171 -0.170 751 2HB PRO 103 1HB PRO 103 23.755 2.056 1.180 752 1HG PRO 103 2HG PRO 103 24.588 1.445 -1.294 753 2HG PRO 103 1HG PRO 103 23.933 0.209 -0.202 754 1HD PRO 103 2HD PRO 103 22.581 1.639 -2.470 755 2HD PRO 103 1HD PRO 103 22.548 -0.089 -2.052 756 H ASN 104 H ASN 104 19.656 2.703 -0.886 757 HA ASN 104 HA ASN 104 19.714 5.484 0.081 758 1HB ASN 104 2HB ASN 104 18.292 4.302 -2.324 759 2HB ASN 104 1HB ASN 104 18.102 5.963 -1.773 760 1HD2 ASN 104 1HD2 ASN 104 19.061 4.991 -4.327 761 2HD2 ASN 104 2HD2 ASN 104 20.665 5.618 -4.514 762 H ASP 105 H ASP 105 18.722 5.246 2.032 763 HA ASP 105 HA ASP 105 16.510 3.455 2.383 764 1HB ASP 105 2HB ASP 105 18.112 3.818 4.197 765 2HB ASP 105 1HB ASP 105 17.665 5.519 4.270 766 H ASP 106 H ASP 106 14.860 4.126 1.093 767 HA ASP 106 HA ASP 106 13.451 6.521 2.074 768 1HB ASP 106 2HB ASP 106 13.975 6.910 -0.247 769 2HB ASP 106 1HB ASP 106 13.412 5.301 -0.698 770 H LYS 107 H LYS 107 11.678 6.101 3.151 771 HA LYS 107 HA LYS 107 10.738 3.801 4.040 772 1HB LYS 107 2HB LYS 107 8.790 4.827 4.703 773 2HB LYS 107 1HB LYS 107 9.843 6.194 4.401 774 1HG LYS 107 2HG LYS 107 7.729 5.190 2.504 775 2HG LYS 107 1HG LYS 107 7.536 6.535 3.624 776 1HD LYS 107 2HD LYS 107 9.624 6.431 1.454 777 2HD LYS 107 1HD LYS 107 8.047 7.196 1.267 778 1HE LYS 107 2HE LYS 107 8.590 8.679 3.172 779 2HE LYS 107 1HE LYS 107 10.195 7.952 3.242 780 1HZ LYS 107 1HZ LYS 107 9.038 9.502 0.991 781 2HZ LYS 107 2HZ LYS 107 10.519 8.677 0.913 782 3HZ LYS 107 3HZ LYS 107 10.324 9.969 1.996 783 H CYS 108 H CYS 108 9.452 4.981 0.851 784 HA CYS 108 HA CYS 108 8.063 2.456 0.598 785 1HB CYS 108 2HB CYS 108 8.047 4.960 -1.072 786 2HB CYS 108 1HB CYS 108 7.177 3.495 -1.509 787 H MET 109 H MET 109 10.907 4.022 -0.830 788 HA MET 109 HA MET 109 10.984 2.506 -3.179 789 1HB MET 109 2HB MET 109 13.060 3.946 -1.591 790 2HB MET 109 1HB MET 109 13.560 2.909 -2.920 791 1HG MET 109 2HG MET 109 11.703 5.269 -3.091 792 2HG MET 109 1HG MET 109 13.371 5.197 -3.659 793 1HE MET 109 1HE MET 109 14.154 3.486 -5.627 794 2HE MET 109 2HE MET 109 13.025 2.470 -6.522 795 3HE MET 109 3HE MET 109 13.341 2.147 -4.817 796 H LYS 110 H LYS 110 12.365 1.983 -0.009 797 HA LYS 110 HA LYS 110 13.776 -0.405 -0.618 798 1HB LYS 110 2HB LYS 110 13.859 -0.688 1.853 799 2HB LYS 110 1HB LYS 110 14.390 0.906 1.325 800 1HG LYS 110 2HG LYS 110 12.110 1.749 1.887 801 2HG LYS 110 1HG LYS 110 11.745 0.160 2.556 802 1HD LYS 110 2HD LYS 110 13.735 2.188 3.530 803 2HD LYS 110 1HD LYS 110 12.349 1.485 4.376 804 1HE LYS 110 2HE LYS 110 13.443 -0.670 4.445 805 2HE LYS 110 1HE LYS 110 14.797 -0.047 3.505 806 1HZ LYS 110 1HZ LYS 110 15.177 1.555 5.363 807 2HZ LYS 110 2HZ LYS 110 15.450 -0.072 5.756 808 3HZ LYS 110 3HZ LYS 110 14.028 0.691 6.273 809 H THR 111 H THR 111 10.726 0.196 1.029 810 HA THR 111 HA THR 111 9.968 -2.400 1.513 811 HB THR 111 HB THR 111 8.969 0.153 1.949 812 HG1 THR 111 1HG THR 111 8.543 -1.021 3.642 813 1HG2 THR 111 1HG2 THR 111 7.444 -0.011 -0.010 814 2HG2 THR 111 2HG2 THR 111 6.536 -0.074 1.502 815 3HG2 THR 111 3HG2 THR 111 6.844 -1.554 0.600 816 H ILE 112 H ILE 112 10.128 -0.904 -1.593 817 HA ILE 112 HA ILE 112 8.041 -2.667 -2.617 818 HB ILE 112 HB ILE 112 9.428 -0.356 -3.727 819 1HG1 ILE 112 2HG1 ILE 112 7.218 -0.028 -4.829 820 2HG1 ILE 112 1HG1 ILE 112 6.683 -1.523 -4.070 821 1HG2 ILE 112 1HG2 ILE 112 10.126 -2.232 -5.260 822 2HG2 ILE 112 2HG2 ILE 112 9.229 -0.924 -6.029 823 3HG2 ILE 112 3HG2 ILE 112 8.417 -2.438 -5.636 824 1HD1 ILE 112 1HD1 ILE 112 7.665 0.876 -2.561 825 2HD1 ILE 112 2HD1 ILE 112 6.899 -0.568 -1.896 826 3HD1 ILE 112 3HD1 ILE 112 5.968 0.541 -2.903 827 H ASP 113 H ASP 113 11.518 -2.088 -2.731 828 HA ASP 113 HA ASP 113 12.226 -4.278 -4.320 829 1HB ASP 113 2HB ASP 113 13.627 -2.653 -2.247 830 2HB ASP 113 1HB ASP 113 14.368 -4.164 -2.766 831 H VAL 114 H VAL 114 11.470 -4.107 -0.843 832 HA VAL 114 HA VAL 114 12.513 -6.746 -0.416 833 HB VAL 114 HB VAL 114 12.063 -6.432 1.862 834 1HG1 VAL 114 1HG1 VAL 114 13.752 -4.877 0.794 835 2HG1 VAL 114 2HG1 VAL 114 13.150 -4.411 2.380 836 3HG1 VAL 114 3HG1 VAL 114 12.527 -3.619 0.934 837 1HG2 VAL 114 1HG2 VAL 114 9.735 -5.761 1.619 838 2HG2 VAL 114 2HG2 VAL 114 10.247 -4.136 1.199 839 3HG2 VAL 114 3HG2 VAL 114 10.592 -4.791 2.803 840 H ALA 115 H ALA 115 9.331 -5.215 -0.714 841 HA ALA 115 HA ALA 115 7.796 -7.503 -0.154 842 1HB ALA 115 1HB ALA 115 7.131 -5.112 -1.829 843 2HB ALA 115 2HB ALA 115 6.751 -5.355 -0.134 844 3HB ALA 115 3HB ALA 115 5.972 -6.347 -1.366 845 H MET 116 H MET 116 9.230 -6.277 -3.170 846 HA MET 116 HA MET 116 7.910 -8.193 -4.729 847 1HB MET 116 2HB MET 116 9.346 -7.571 -6.588 848 2HB MET 116 1HB MET 116 8.694 -6.167 -5.780 849 1HG MET 116 2HG MET 116 10.895 -5.663 -6.377 850 2HG MET 116 1HG MET 116 10.917 -5.908 -4.644 851 1HE MET 116 1HE MET 116 13.480 -5.759 -6.382 852 2HE MET 116 2HE MET 116 14.442 -7.159 -5.909 853 3HE MET 116 3HE MET 116 13.639 -6.184 -4.678 854 H CYS 117 H CYS 117 10.767 -8.358 -2.777 855 HA CYS 117 HA CYS 117 11.924 -10.683 -3.840 856 1HB CYS 117 2HB CYS 117 11.936 -9.486 -1.071 857 2HB CYS 117 1HB CYS 117 12.956 -10.802 -1.589 858 H PHE 118 H PHE 118 9.289 -10.023 -1.655 859 HA PHE 118 HA PHE 118 9.019 -12.711 -0.766 860 1HB PHE 118 2HB PHE 118 8.051 -10.911 0.533 861 2HB PHE 118 1HB PHE 118 6.974 -10.485 -0.795 862 HD1 PHE 118 1HD PHE 118 4.858 -11.467 -0.942 863 HD2 PHE 118 2HD PHE 118 7.816 -13.221 1.568 864 HE1 PHE 118 1HE PHE 118 3.169 -13.004 -0.031 865 HE2 PHE 118 2HE PHE 118 6.130 -14.761 2.481 866 HZ PHE 118 HZ PHE 118 3.803 -14.655 1.680 867 H LYS 119 H LYS 119 7.475 -10.907 -3.472 868 HA LYS 119 HA LYS 119 5.883 -13.170 -4.172 869 1HB LYS 119 2HB LYS 119 5.350 -10.838 -4.923 870 2HB LYS 119 1HB LYS 119 6.635 -10.958 -6.101 871 1HG LYS 119 2HG LYS 119 4.618 -13.090 -6.156 872 2HG LYS 119 1HG LYS 119 4.117 -11.479 -6.672 873 1HD LYS 119 2HD LYS 119 6.318 -13.192 -7.805 874 2HD LYS 119 1HD LYS 119 4.874 -12.590 -8.623 875 1HE LYS 119 2HE LYS 119 5.739 -10.278 -8.310 876 2HE LYS 119 1HE LYS 119 7.224 -10.969 -7.648 877 1HZ LYS 119 1HZ LYS 119 7.425 -12.193 -9.814 878 2HZ LYS 119 2HZ LYS 119 7.636 -10.517 -9.907 879 3HZ LYS 119 3HZ LYS 119 6.176 -11.215 -10.414 880 H LYS 120 H LYS 120 9.255 -12.425 -4.792 881 HA LYS 120 HA LYS 120 9.685 -14.408 -6.763 882 1HB LYS 120 2HB LYS 120 11.298 -12.764 -5.029 883 2HB LYS 120 1HB LYS 120 11.910 -14.414 -5.027 884 1HG LYS 120 2HG LYS 120 12.983 -13.020 -6.732 885 2HG LYS 120 1HG LYS 120 12.108 -14.380 -7.436 886 1HD LYS 120 2HD LYS 120 11.663 -12.421 -8.749 887 2HD LYS 120 1HD LYS 120 10.202 -12.854 -7.867 888 1HE LYS 120 2HE LYS 120 10.542 -10.462 -7.801 889 2HE LYS 120 1HE LYS 120 10.705 -11.152 -6.187 890 1HZ LYS 120 1HZ LYS 120 13.066 -10.985 -6.329 891 2HZ LYS 120 2HZ LYS 120 12.419 -9.478 -6.758 892 3HZ LYS 120 3HZ LYS 120 13.008 -10.518 -7.959 893 H GLU 121 H GLU 121 9.886 -14.521 -3.225 894 HA GLU 121 HA GLU 121 10.279 -17.261 -2.917 895 1HB GLU 121 2HB GLU 121 8.834 -15.329 -1.107 896 2HB GLU 121 1HB GLU 121 9.242 -16.977 -0.653 897 1HG GLU 121 2HG GLU 121 11.115 -14.703 -1.231 898 2HG GLU 121 1HG GLU 121 10.887 -15.581 0.276 899 H ILE 122 H ILE 122 7.110 -15.527 -2.872 900 HA ILE 122 HA ILE 122 5.475 -17.701 -2.556 901 HB ILE 122 HB ILE 122 5.049 -15.098 -2.788 902 1HG1 ILE 122 2HG1 ILE 122 3.547 -16.906 -1.879 903 2HG1 ILE 122 1HG1 ILE 122 2.748 -15.522 -2.602 904 1HG2 ILE 122 1HG2 ILE 122 3.440 -15.265 -4.982 905 2HG2 ILE 122 2HG2 ILE 122 4.910 -16.067 -5.509 906 3HG2 ILE 122 3HG2 ILE 122 4.974 -14.416 -4.887 907 1HD1 ILE 122 1HD1 ILE 122 2.321 -16.815 -4.623 908 2HD1 ILE 122 2HD1 ILE 122 1.651 -17.610 -3.199 909 3HD1 ILE 122 3HD1 ILE 122 3.153 -18.198 -3.912 910 H HIS 123 H HIS 123 6.976 -16.520 -5.557 911 HA HIS 123 HA HIS 123 5.626 -18.373 -7.215 912 1HB HIS 123 2HB HIS 123 7.944 -16.554 -7.558 913 2HB HIS 123 1HB HIS 123 7.796 -17.889 -8.698 914 HD1 HIS 123 1HD HIS 123 6.980 -16.727 -10.759 915 HD2 HIS 123 2HD HIS 123 4.814 -15.679 -7.360 916 HE1 HIS 123 1HE HIS 123 5.040 -15.354 -11.584 917 HE2 HIS 123 2HE HIS 123 3.635 -14.913 -9.534 918 H LYS 124 H LYS 124 8.657 -18.608 -5.394 919 HA LYS 124 HA LYS 124 9.494 -21.075 -6.476 920 1HB LYS 124 2HB LYS 124 10.989 -19.585 -5.227 921 2HB LYS 124 1HB LYS 124 10.024 -19.806 -3.776 922 1HG LYS 124 2HG LYS 124 12.082 -21.125 -3.728 923 2HG LYS 124 1HG LYS 124 10.642 -22.146 -3.684 924 1HD LYS 124 2HD LYS 124 10.860 -22.479 -6.126 925 2HD LYS 124 1HD LYS 124 12.370 -21.568 -6.084 926 1HE LYS 124 2HE LYS 124 13.415 -23.202 -4.695 927 2HE LYS 124 1HE LYS 124 11.886 -24.039 -4.433 928 1HZ LYS 124 1HZ LYS 124 13.278 -25.186 -6.041 929 2HZ LYS 124 2HZ LYS 124 13.294 -23.813 -7.043 930 3HZ LYS 124 3HZ LYS 124 11.841 -24.642 -6.759 931 H LEU 125 H LEU 125 7.440 -20.153 -3.768 932 HA LEU 125 HA LEU 125 6.867 -22.756 -2.836 933 1HB LEU 125 2HB LEU 125 5.089 -20.318 -2.735 934 2HB LEU 125 1HB LEU 125 4.954 -21.742 -1.723 935 HG LEU 125 HG LEU 125 7.263 -19.794 -1.701 936 1HD1 LEU 125 1HD1 LEU 125 5.226 -18.821 -0.789 937 2HD1 LEU 125 2HD1 LEU 125 6.402 -19.133 0.487 938 3HD1 LEU 125 3HD1 LEU 125 5.023 -20.213 0.275 939 1HD2 LEU 125 1HD2 LEU 125 6.673 -22.175 0.055 940 2HD2 LEU 125 2HD2 LEU 125 7.974 -21.009 0.304 941 3HD2 LEU 125 3HD2 LEU 125 7.978 -22.044 -1.125 942 H ASN 126 H ASN 126 5.395 -20.786 -5.371 943 HA ASN 126 HA ASN 126 3.034 -22.096 -5.838 944 1HB ASN 126 2HB ASN 126 3.624 -20.025 -6.956 945 2HB ASN 126 1HB ASN 126 4.917 -20.831 -7.836 946 1HD2 ASN 126 1HD2 ASN 126 4.425 -22.090 -9.599 947 2HD2 ASN 126 2HD2 ASN 126 2.861 -22.111 -10.329 948 H TRP 127 H TRP 127 6.119 -22.782 -7.538 949 HA TRP 127 HA TRP 127 5.274 -25.069 -8.875 950 1HB TRP 127 2HB TRP 127 8.058 -24.716 -7.764 951 2HB TRP 127 1HB TRP 127 7.574 -25.547 -9.243 952 HD1 TRP 127 HD TRP 127 5.730 -23.323 -10.495 953 HE1 TRP 127 1HE TRP 127 6.743 -21.146 -11.387 954 HE3 TRP 127 3HE TRP 127 10.169 -23.400 -7.964 955 HZ2 TRP 127 2HZ TRP 127 9.133 -19.660 -11.094 956 HZ3 TRP 127 3HZ TRP 127 11.765 -21.567 -8.333 957 HH2 TRP 127 HH TRP 127 11.257 -19.736 -9.866 958 H VAL 128 H VAL 128 4.278 -26.695 -7.968 959 HA VAL 128 HA VAL 128 3.511 -28.148 -6.408 960 HB VAL 128 HB VAL 128 5.183 -29.935 -5.825 961 1HG1 VAL 128 1HG1 VAL 128 5.349 -30.728 -8.134 962 2HG1 VAL 128 2HG1 VAL 128 4.920 -29.118 -8.712 963 3HG1 VAL 128 3HG1 VAL 128 3.756 -30.060 -7.779 964 1HG2 VAL 128 1HG2 VAL 128 7.026 -28.264 -7.537 965 2HG2 VAL 128 2HG2 VAL 128 7.337 -29.910 -6.987 966 3HG2 VAL 128 3HG2 VAL 128 7.226 -28.596 -5.816 967 HA PRO 129 HA PRO 129 4.707 -26.153 -2.494 968 1HB PRO 129 2HB PRO 129 2.222 -25.506 -1.709 969 2HB PRO 129 1HB PRO 129 3.118 -24.513 -2.864 970 1HG PRO 129 2HG PRO 129 0.938 -26.492 -3.354 971 2HG PRO 129 1HG PRO 129 1.237 -24.933 -4.140 972 1HD PRO 129 2HD PRO 129 1.924 -27.397 -5.197 973 2HD PRO 129 1HD PRO 129 2.659 -25.852 -5.663 974 H ASN 130 H ASN 130 4.407 -26.911 -0.362 975 HA ASN 130 HA ASN 130 3.863 -29.656 -0.064 976 1HB ASN 130 2HB ASN 130 5.334 -28.372 1.459 977 2HB ASN 130 1HB ASN 130 3.923 -27.528 2.087 978 1HD2 ASN 130 1HD2 ASN 130 4.266 -28.273 4.167 979 2HD2 ASN 130 2HD2 ASN 130 3.981 -29.922 4.623 980 H MET 131 H MET 131 2.056 -30.750 0.402 981 HA MET 131 HA MET 131 -0.443 -29.378 0.128 982 1HB MET 131 2HB MET 131 -0.194 -31.492 -0.971 983 2HB MET 131 1HB MET 131 0.288 -32.281 0.525 984 1HG MET 131 2HG MET 131 -1.955 -31.851 1.431 985 2HG MET 131 1HG MET 131 -2.431 -31.170 -0.125 986 1HE MET 131 1HE MET 131 -3.934 -33.559 1.407 987 2HE MET 131 2HE MET 131 -4.294 -34.636 0.057 988 3HE MET 131 3HE MET 131 -4.491 -32.893 -0.128 989 H ASP 132 H ASP 132 -1.173 -28.274 1.826 990 HA ASP 132 HA ASP 132 -1.869 -29.803 4.192 991 1HB ASP 132 2HB ASP 132 0.313 -28.781 4.790 992 2HB ASP 132 1HB ASP 132 -0.363 -27.190 4.449 993 H LEU 133 H LEU 133 -3.981 -29.561 4.157 994 HA LEU 133 HA LEU 133 -5.126 -27.056 3.186 995 1HB LEU 133 2HB LEU 133 -6.289 -29.798 3.628 996 2HB LEU 133 1HB LEU 133 -7.298 -28.400 3.322 997 HG LEU 133 HG LEU 133 -7.031 -29.600 1.269 998 1HD1 LEU 133 1HD1 LEU 133 -6.026 -27.893 -0.160 999 2HD1 LEU 133 2HD1 LEU 133 -5.290 -27.143 1.257 1000 3HD1 LEU 133 3HD1 LEU 133 -7.045 -27.180 1.090 1001 1HD2 LEU 133 1HD2 LEU 133 -4.052 -29.366 1.682 1002 2HD2 LEU 133 2HD2 LEU 133 -4.846 -30.011 0.245 1003 3HD2 LEU 133 3HD2 LEU 133 -5.005 -30.846 1.792 1004 H VAL 134 H VAL 134 -4.809 -25.733 4.948 1005 HA VAL 134 HA VAL 134 -6.028 -26.533 7.468 1006 HB VAL 134 HB VAL 134 -3.861 -25.577 7.741 1007 1HG1 VAL 134 1HG1 VAL 134 -3.669 -24.362 5.651 1008 2HG1 VAL 134 2HG1 VAL 134 -3.279 -23.309 7.011 1009 3HG1 VAL 134 3HG1 VAL 134 -4.845 -23.173 6.210 1010 1HG2 VAL 134 1HG2 VAL 134 -5.949 -23.551 8.535 1011 2HG2 VAL 134 2HG2 VAL 134 -4.322 -23.663 9.204 1012 3HG2 VAL 134 3HG2 VAL 134 -5.471 -24.976 9.457 1013 H ILE 135 H ILE 135 -8.192 -26.443 7.081 1014 HA ILE 135 HA ILE 135 -9.304 -23.791 6.440 1015 HB ILE 135 HB ILE 135 -10.625 -26.502 6.150 1016 1HG1 ILE 135 2HG1 ILE 135 -10.802 -25.593 3.709 1017 2HG1 ILE 135 1HG1 ILE 135 -9.469 -24.551 4.183 1018 1HG2 ILE 135 1HG2 ILE 135 -11.730 -23.758 5.576 1019 2HG2 ILE 135 2HG2 ILE 135 -12.232 -24.834 6.880 1020 3HG2 ILE 135 3HG2 ILE 135 -12.526 -25.286 5.201 1021 1HD1 ILE 135 1HD1 ILE 135 -8.127 -26.510 4.722 1022 2HD1 ILE 135 2HD1 ILE 135 -8.681 -26.547 3.047 1023 3HD1 ILE 135 3HD1 ILE 135 -9.467 -27.558 4.260 1024 H GLY 136 H GLY 136 -9.582 -22.805 8.370 1025 1HA GLY 136 2HA GLY 136 -10.714 -24.321 10.605 1026 2HA GLY 136 1HA GLY 136 -10.075 -22.683 10.675 1027 H GLU 137 H GLU 137 -12.650 -24.425 8.933 1028 HA GLU 137 HA GLU 137 -14.455 -22.198 9.566 1029 1HB GLU 137 2HB GLU 137 -13.515 -22.002 7.249 1030 2HB GLU 137 1HB GLU 137 -14.275 -23.541 6.864 1031 1HG GLU 137 2HG GLU 137 -15.647 -21.756 6.053 1032 2HG GLU 137 1HG GLU 137 -16.469 -22.551 7.397 1033 H VAL 138 H VAL 138 -16.402 -22.789 10.240 1034 HA VAL 138 HA VAL 138 -17.671 -25.191 9.288 1035 HB VAL 138 HB VAL 138 -16.405 -26.113 11.173 1036 1HG1 VAL 138 1HG1 VAL 138 -17.853 -24.086 12.869 1037 2HG1 VAL 138 2HG1 VAL 138 -16.126 -24.104 12.510 1038 3HG1 VAL 138 3HG1 VAL 138 -16.840 -25.397 13.473 1039 1HG2 VAL 138 1HG2 VAL 138 -19.350 -25.867 11.756 1040 2HG2 VAL 138 2HG2 VAL 138 -18.268 -27.080 12.441 1041 3HG2 VAL 138 3HG2 VAL 138 -18.585 -27.059 10.706 1042 H LEU 139 H LEU 139 -19.860 -24.910 9.211 1043 HA LEU 139 HA LEU 139 -20.814 -22.321 10.239 1044 1HB LEU 139 2HB LEU 139 -20.848 -22.610 7.789 1045 2HB LEU 139 1HB LEU 139 -21.891 -24.007 7.977 1046 HG LEU 139 HG LEU 139 -23.649 -22.559 8.920 1047 1HD1 LEU 139 1HD1 LEU 139 -22.230 -20.834 9.887 1048 2HD1 LEU 139 2HD1 LEU 139 -23.412 -20.128 8.785 1049 3HD1 LEU 139 3HD1 LEU 139 -21.735 -20.323 8.274 1050 1HD2 LEU 139 1HD2 LEU 139 -23.626 -23.034 6.531 1051 2HD2 LEU 139 2HD2 LEU 139 -22.575 -21.645 6.256 1052 3HD2 LEU 139 3HD2 LEU 139 -24.220 -21.403 6.841 1053 H ALA 140 H ALA 140 -21.614 -22.786 12.229 1054 HA ALA 140 HA ALA 140 -23.968 -24.521 12.291 1055 1HB ALA 140 1HB ALA 140 -23.265 -25.599 14.363 1056 2HB ALA 140 2HB ALA 140 -21.730 -24.732 14.303 1057 3HB ALA 140 3HB ALA 140 -22.116 -25.924 13.064 1058 H GLU 141 H GLU 141 -25.468 -23.045 12.732 1059 HA GLU 141 HA GLU 141 -25.044 -21.347 15.101 1060 1HB GLU 141 2HB GLU 141 -25.043 -20.010 13.009 1061 2HB GLU 141 1HB GLU 141 -26.643 -20.632 12.632 1062 1HG GLU 141 2HG GLU 141 -26.797 -18.406 13.552 1063 2HG GLU 141 1HG GLU 141 -27.529 -19.572 14.650 1064 H VAL 142 H VAL 142 -26.342 -21.850 16.677 1065 HA VAL 142 HA VAL 142 -28.055 -22.666 17.901 1066 HB VAL 142 HB VAL 142 -29.725 -22.531 15.380 1067 1HG1 VAL 142 1HG1 VAL 142 -31.629 -22.461 16.925 1068 2HG1 VAL 142 2HG1 VAL 142 -30.527 -22.668 18.285 1069 3HG1 VAL 142 3HG1 VAL 142 -30.708 -23.953 17.093 1070 1HG2 VAL 142 1HG2 VAL 142 -29.375 -20.486 17.572 1071 2HG2 VAL 142 2HG2 VAL 142 -30.528 -20.380 16.241 1072 3HG2 VAL 142 3HG2 VAL 142 -28.796 -20.343 15.912 Start of MODEL 16 1 1H SER 1 1HT SER 1 -6.588 -15.554 -3.186 2 2H SER 1 2HT SER 1 -5.734 -15.613 -1.727 3 3H SER 1 3HT SER 1 -5.128 -16.400 -3.101 4 HA SER 1 HA SER 1 -3.947 -14.360 -2.645 5 1HB SER 1 2HB SER 1 -5.610 -14.203 -5.167 6 2HB SER 1 1HB SER 1 -4.026 -13.473 -4.904 7 HG SER 1 HG SER 1 -3.143 -15.311 -5.386 8 HA PRO 2 HA PRO 2 -7.326 -10.823 -3.210 9 1HB PRO 2 2HB PRO 2 -9.854 -11.628 -2.440 10 2HB PRO 2 1HB PRO 2 -9.304 -11.472 -4.111 11 1HG PRO 2 2HG PRO 2 -9.462 -13.912 -2.387 12 2HG PRO 2 1HG PRO 2 -9.900 -13.716 -4.096 13 1HD PRO 2 2HD PRO 2 -7.606 -14.874 -3.409 14 2HD PRO 2 1HD PRO 2 -7.679 -13.767 -4.796 15 H GLU 3 H GLU 3 -7.121 -13.188 -0.721 16 HA GLU 3 HA GLU 3 -8.336 -12.141 1.465 17 1HB GLU 3 2HB GLU 3 -5.526 -13.258 1.442 18 2HB GLU 3 1HB GLU 3 -6.552 -13.103 2.857 19 1HG GLU 3 2HG GLU 3 -6.681 -15.354 2.250 20 2HG GLU 3 1HG GLU 3 -8.181 -14.639 1.663 21 H ILE 4 H ILE 4 -4.868 -11.419 0.872 22 HA ILE 4 HA ILE 4 -5.178 -8.975 2.369 23 HB ILE 4 HB ILE 4 -3.181 -10.472 2.601 24 1HG1 ILE 4 2HG1 ILE 4 -1.555 -8.645 2.781 25 2HG1 ILE 4 1HG1 ILE 4 -2.573 -7.626 1.764 26 1HG2 ILE 4 1HG2 ILE 4 -2.460 -9.337 -0.093 27 2HG2 ILE 4 2HG2 ILE 4 -2.858 -11.018 0.257 28 3HG2 ILE 4 3HG2 ILE 4 -1.398 -10.299 0.935 29 1HD1 ILE 4 1HD1 ILE 4 -3.349 -8.704 4.467 30 2HD1 ILE 4 2HD1 ILE 4 -4.294 -7.605 3.462 31 3HD1 ILE 4 3HD1 ILE 4 -2.757 -7.075 4.144 32 H MET 5 H MET 5 -5.543 -9.831 -0.855 33 HA MET 5 HA MET 5 -4.413 -7.529 -2.094 34 1HB MET 5 2HB MET 5 -6.256 -9.709 -3.017 35 2HB MET 5 1HB MET 5 -5.886 -8.334 -4.054 36 1HG MET 5 2HG MET 5 -3.496 -8.885 -3.881 37 2HG MET 5 1HG MET 5 -3.908 -10.288 -2.899 38 1HE MET 5 1HE MET 5 -4.123 -8.622 -6.435 39 2HE MET 5 2HE MET 5 -5.822 -8.843 -6.018 40 3HE MET 5 3HE MET 5 -5.105 -9.785 -7.325 41 H LYS 6 H LYS 6 -7.427 -8.255 -0.576 42 HA LYS 6 HA LYS 6 -8.652 -5.811 -1.543 43 1HB LYS 6 2HB LYS 6 -9.562 -7.793 0.557 44 2HB LYS 6 1HB LYS 6 -10.483 -6.386 0.047 45 1HG LYS 6 2HG LYS 6 -10.549 -7.294 -2.246 46 2HG LYS 6 1HG LYS 6 -9.709 -8.735 -1.671 47 1HD LYS 6 2HD LYS 6 -12.122 -9.107 -1.813 48 2HD LYS 6 1HD LYS 6 -11.556 -9.214 -0.146 49 1HE LYS 6 2HE LYS 6 -12.344 -6.972 0.301 50 2HE LYS 6 1HE LYS 6 -12.815 -6.772 -1.386 51 1HZ LYS 6 1HZ LYS 6 -13.965 -8.796 0.455 52 2HZ LYS 6 2HZ LYS 6 -14.472 -8.465 -1.130 53 3HZ LYS 6 3HZ LYS 6 -14.685 -7.305 0.090 54 H ASN 7 H ASN 7 -7.011 -4.390 -0.867 55 HA ASN 7 HA ASN 7 -5.991 -4.214 1.733 56 1HB ASN 7 2HB ASN 7 -6.218 -2.123 -0.437 57 2HB ASN 7 1HB ASN 7 -5.358 -1.862 1.075 58 1HD2 ASN 7 1HD2 ASN 7 -3.405 -1.559 0.059 59 2HD2 ASN 7 2HD2 ASN 7 -2.534 -2.858 -0.678 60 H LEU 8 H LEU 8 -6.718 -3.358 3.551 61 HA LEU 8 HA LEU 8 -9.400 -2.717 3.905 62 1HB LEU 8 2HB LEU 8 -7.062 -1.981 5.662 63 2HB LEU 8 1HB LEU 8 -8.747 -1.953 6.147 64 HG LEU 8 HG LEU 8 -7.175 -4.406 5.359 65 1HD1 LEU 8 1HD1 LEU 8 -7.384 -5.034 7.680 66 2HD1 LEU 8 2HD1 LEU 8 -8.276 -3.551 8.028 67 3HD1 LEU 8 3HD1 LEU 8 -6.579 -3.470 7.551 68 1HD2 LEU 8 1HD2 LEU 8 -10.023 -4.132 6.317 69 2HD2 LEU 8 2HD2 LEU 8 -9.165 -5.651 6.053 70 3HD2 LEU 8 3HD2 LEU 8 -9.514 -4.586 4.691 71 H SER 9 H SER 9 -6.649 -0.633 3.257 72 HA SER 9 HA SER 9 -7.863 1.837 3.829 73 1HB SER 9 2HB SER 9 -5.408 1.471 3.413 74 2HB SER 9 1HB SER 9 -5.773 1.291 1.698 75 HG SER 9 HG SER 9 -6.407 3.408 1.611 76 H ASN 10 H ASN 10 -7.820 -0.181 0.942 77 HA ASN 10 HA ASN 10 -9.323 1.649 -0.673 78 1HB ASN 10 2HB ASN 10 -8.628 -1.274 -1.022 79 2HB ASN 10 1HB ASN 10 -9.513 -0.331 -2.217 80 1HD2 ASN 10 1HD2 ASN 10 -8.439 1.145 -3.465 81 2HD2 ASN 10 2HD2 ASN 10 -6.716 1.276 -3.496 82 H ASN 11 H ASN 11 -10.041 -1.049 1.438 83 HA ASN 11 HA ASN 11 -12.747 -1.385 0.663 84 1HB ASN 11 2HB ASN 11 -11.392 -2.017 3.297 85 2HB ASN 11 1HB ASN 11 -13.021 -2.524 2.864 86 1HD2 ASN 11 1HD2 ASN 11 -10.758 -4.155 3.555 87 2HD2 ASN 11 2HD2 ASN 11 -10.445 -5.183 2.201 88 H PHE 12 H PHE 12 -11.287 0.294 3.451 89 HA PHE 12 HA PHE 12 -13.429 1.708 4.389 90 1HB PHE 12 2HB PHE 12 -10.580 2.633 4.046 91 2HB PHE 12 1HB PHE 12 -11.794 3.603 4.867 92 HD1 PHE 12 1HD PHE 12 -9.094 1.902 5.651 93 HD2 PHE 12 2HD PHE 12 -13.271 1.653 6.426 94 HE1 PHE 12 1HE PHE 12 -8.632 0.694 7.745 95 HE2 PHE 12 2HE PHE 12 -12.816 0.446 8.519 96 HZ PHE 12 HZ PHE 12 -10.493 -0.035 9.183 97 H GLY 13 H GLY 13 -11.204 3.363 2.051 98 1HA GLY 13 2HA GLY 13 -11.654 5.045 0.562 99 2HA GLY 13 1HA GLY 13 -13.069 4.088 0.158 100 H LYS 14 H LYS 14 -12.478 5.671 3.269 101 HA LYS 14 HA LYS 14 -15.063 6.862 3.230 102 1HB LYS 14 2HB LYS 14 -13.891 6.031 5.281 103 2HB LYS 14 1HB LYS 14 -12.765 7.373 5.130 104 1HG LYS 14 2HG LYS 14 -14.655 8.939 5.358 105 2HG LYS 14 1HG LYS 14 -15.729 7.561 5.611 106 1HD LYS 14 2HD LYS 14 -14.453 6.917 7.587 107 2HD LYS 14 1HD LYS 14 -13.349 8.267 7.324 108 1HE LYS 14 2HE LYS 14 -16.297 8.462 7.921 109 2HE LYS 14 1HE LYS 14 -14.984 8.803 9.045 110 1HZ LYS 14 1HZ LYS 14 -15.667 10.310 6.578 111 2HZ LYS 14 2HZ LYS 14 -14.259 10.573 7.480 112 3HZ LYS 14 3HZ LYS 14 -15.775 10.854 8.183 113 H ALA 15 H ALA 15 -11.769 7.978 2.746 114 HA ALA 15 HA ALA 15 -12.798 10.422 1.534 115 1HB ALA 15 1HB ALA 15 -10.671 10.452 3.672 116 2HB ALA 15 2HB ALA 15 -12.329 11.020 3.867 117 3HB ALA 15 3HB ALA 15 -11.240 11.843 2.749 118 H MET 16 H MET 16 -12.071 10.083 -0.471 119 HA MET 16 HA MET 16 -9.483 8.894 -0.970 120 1HB MET 16 2HB MET 16 -11.393 8.402 -2.447 121 2HB MET 16 1HB MET 16 -11.490 10.101 -2.886 122 1HG MET 16 2HG MET 16 -9.302 9.984 -3.926 123 2HG MET 16 1HG MET 16 -9.143 8.298 -3.439 124 1HE MET 16 1HE MET 16 -10.572 6.320 -4.442 125 2HE MET 16 2HE MET 16 -11.891 6.544 -5.590 126 3HE MET 16 3HE MET 16 -12.046 7.146 -3.939 127 H ASP 17 H ASP 17 -10.977 12.028 -0.935 128 HA ASP 17 HA ASP 17 -9.095 13.556 -2.308 129 1HB ASP 17 2HB ASP 17 -11.229 14.493 -1.690 130 2HB ASP 17 1HB ASP 17 -10.862 14.301 0.023 131 H GLN 18 H GLN 18 -8.975 12.245 0.919 132 HA GLN 18 HA GLN 18 -6.845 14.088 1.625 133 1HB GLN 18 2HB GLN 18 -8.356 12.055 3.232 134 2HB GLN 18 1HB GLN 18 -6.911 12.845 3.851 135 1HG GLN 18 2HG GLN 18 -8.245 15.014 3.083 136 2HG GLN 18 1HG GLN 18 -9.617 13.946 3.376 137 1HE2 GLN 18 1HE2 GLN 18 -6.952 15.637 4.790 138 2HE2 GLN 18 2HE2 GLN 18 -7.415 15.398 6.449 139 H CYS 19 H CYS 19 -7.221 10.769 0.645 140 HA CYS 19 HA CYS 19 -4.551 10.027 1.334 141 1HB CYS 19 2HB CYS 19 -6.335 8.342 0.879 142 2HB CYS 19 1HB CYS 19 -6.324 8.814 -0.812 143 H LYS 20 H LYS 20 -6.114 11.550 -1.416 144 HA LYS 20 HA LYS 20 -3.928 11.546 -3.182 145 1HB LYS 20 2HB LYS 20 -6.099 12.030 -4.023 146 2HB LYS 20 1HB LYS 20 -6.322 13.342 -2.890 147 1HG LYS 20 2HG LYS 20 -5.962 14.192 -5.116 148 2HG LYS 20 1HG LYS 20 -4.635 14.655 -4.059 149 1HD LYS 20 2HD LYS 20 -3.193 13.011 -5.045 150 2HD LYS 20 1HD LYS 20 -4.519 12.317 -5.988 151 1HE LYS 20 2HE LYS 20 -4.778 14.518 -7.121 152 2HE LYS 20 1HE LYS 20 -3.360 15.094 -6.250 153 1HZ LYS 20 1HZ LYS 20 -2.086 13.295 -7.328 154 2HZ LYS 20 2HZ LYS 20 -2.711 14.422 -8.425 155 3HZ LYS 20 3HZ LYS 20 -3.455 12.908 -8.256 156 H ASP 21 H ASP 21 -5.077 13.882 -0.826 157 HA ASP 21 HA ASP 21 -3.059 15.820 -1.291 158 1HB ASP 21 2HB ASP 21 -5.142 16.533 -0.367 159 2HB ASP 21 1HB ASP 21 -5.003 15.412 0.980 160 H GLU 22 H GLU 22 -3.428 13.337 1.251 161 HA GLU 22 HA GLU 22 -1.219 14.301 2.757 162 1HB GLU 22 2HB GLU 22 -3.092 13.010 3.727 163 2HB GLU 22 1HB GLU 22 -2.533 11.583 2.890 164 1HG GLU 22 2HG GLU 22 -1.625 11.252 4.963 165 2HG GLU 22 1HG GLU 22 -0.295 12.081 4.156 166 H LEU 23 H LEU 23 -1.553 11.782 0.285 167 HA LEU 23 HA LEU 23 1.156 10.847 0.551 168 1HB LEU 23 2HB LEU 23 -1.038 10.490 -1.449 169 2HB LEU 23 1HB LEU 23 0.594 10.027 -1.877 170 HG LEU 23 HG LEU 23 -0.870 8.181 -1.095 171 1HD1 LEU 23 1HD1 LEU 23 1.494 7.852 -1.054 172 2HD1 LEU 23 2HD1 LEU 23 0.838 7.212 0.452 173 3HD1 LEU 23 3HD1 LEU 23 1.651 8.777 0.440 174 1HD2 LEU 23 1HD2 LEU 23 -0.720 9.766 1.413 175 2HD2 LEU 23 2HD2 LEU 23 -1.011 8.029 1.451 176 3HD2 LEU 23 3HD2 LEU 23 -2.147 9.101 0.624 177 H SER 24 H SER 24 -0.390 13.472 -0.920 178 HA SER 24 HA SER 24 0.125 15.011 -2.512 179 1HB SER 24 2HB SER 24 2.971 14.193 -1.846 180 2HB SER 24 1HB SER 24 2.503 15.654 -2.717 181 HG SER 24 HG SER 24 1.634 15.021 -0.089 182 H LEU 25 H LEU 25 -0.696 12.612 -3.409 183 HA LEU 25 HA LEU 25 1.148 11.182 -5.033 184 1HB LEU 25 2HB LEU 25 -1.859 11.181 -4.995 185 2HB LEU 25 1HB LEU 25 -0.944 10.205 -6.106 186 HG LEU 25 HG LEU 25 -0.879 9.924 -3.092 187 1HD1 LEU 25 1HD1 LEU 25 -2.984 9.202 -4.073 188 2HD1 LEU 25 2HD1 LEU 25 -2.040 7.841 -3.472 189 3HD1 LEU 25 3HD1 LEU 25 -2.104 8.174 -5.203 190 1HD2 LEU 25 1HD2 LEU 25 0.511 8.068 -3.393 191 2HD2 LEU 25 2HD2 LEU 25 1.238 9.370 -4.337 192 3HD2 LEU 25 3HD2 LEU 25 0.315 8.101 -5.146 193 HA PRO 26 HA PRO 26 0.714 13.589 -8.783 194 1HB PRO 26 2HB PRO 26 2.237 12.034 -10.354 195 2HB PRO 26 1HB PRO 26 2.951 13.070 -9.113 196 1HG PRO 26 2HG PRO 26 2.476 10.131 -9.089 197 2HG PRO 26 1HG PRO 26 3.824 11.060 -8.411 198 1HD PRO 26 2HD PRO 26 1.648 10.078 -6.962 199 2HD PRO 26 1HD PRO 26 2.748 11.350 -6.435 200 H ASP 27 H ASP 27 -0.157 13.133 -10.990 201 HA ASP 27 HA ASP 27 -2.517 11.623 -10.754 202 1HB ASP 27 2HB ASP 27 -2.957 12.145 -13.069 203 2HB ASP 27 1HB ASP 27 -2.322 13.567 -12.253 204 H SER 28 H SER 28 0.609 10.859 -12.082 205 HA SER 28 HA SER 28 -0.152 8.564 -13.547 206 1HB SER 28 2HB SER 28 2.337 8.055 -13.377 207 2HB SER 28 1HB SER 28 1.926 9.627 -14.068 208 HG SER 28 HG SER 28 3.611 9.626 -12.396 209 H VAL 29 H VAL 29 1.160 9.017 -10.290 210 HA VAL 29 HA VAL 29 1.389 6.230 -9.809 211 HB VAL 29 HB VAL 29 1.567 8.530 -7.880 212 1HG1 VAL 29 1HG1 VAL 29 2.949 6.762 -6.629 213 2HG1 VAL 29 2HG1 VAL 29 2.053 5.590 -7.593 214 3HG1 VAL 29 3HG1 VAL 29 1.194 6.687 -6.510 215 1HG2 VAL 29 1HG2 VAL 29 3.660 6.956 -9.371 216 2HG2 VAL 29 2HG2 VAL 29 3.995 8.147 -8.116 217 3HG2 VAL 29 3HG2 VAL 29 3.236 8.648 -9.627 218 H VAL 30 H VAL 30 -0.979 8.698 -8.586 219 HA VAL 30 HA VAL 30 -2.442 6.839 -7.088 220 HB VAL 30 HB VAL 30 -2.715 9.278 -6.897 221 1HG1 VAL 30 1HG1 VAL 30 -4.496 10.207 -8.379 222 2HG1 VAL 30 2HG1 VAL 30 -4.137 8.901 -9.496 223 3HG1 VAL 30 3HG1 VAL 30 -2.888 10.077 -9.067 224 1HG2 VAL 30 1HG2 VAL 30 -5.224 7.667 -7.323 225 2HG2 VAL 30 2HG2 VAL 30 -5.119 9.186 -6.433 226 3HG2 VAL 30 3HG2 VAL 30 -4.274 7.756 -5.840 227 H ALA 31 H ALA 31 -2.472 7.590 -10.512 228 HA ALA 31 HA ALA 31 -4.816 6.147 -11.190 229 1HB ALA 31 1HB ALA 31 -2.397 6.652 -12.890 230 2HB ALA 31 2HB ALA 31 -3.698 7.821 -12.635 231 3HB ALA 31 3HB ALA 31 -4.030 6.293 -13.457 232 H ASP 32 H ASP 32 -1.360 5.254 -11.380 233 HA ASP 32 HA ASP 32 -1.869 2.628 -12.332 234 1HB ASP 32 2HB ASP 32 0.334 3.962 -12.468 235 2HB ASP 32 1HB ASP 32 0.620 3.411 -10.820 236 H LEU 33 H LEU 33 -1.382 4.017 -9.127 237 HA LEU 33 HA LEU 33 -1.479 1.831 -7.492 238 1HB LEU 33 2HB LEU 33 -1.430 4.257 -6.854 239 2HB LEU 33 1HB LEU 33 -3.150 4.324 -7.180 240 HG LEU 33 HG LEU 33 -3.448 2.558 -5.408 241 1HD1 LEU 33 1HD1 LEU 33 -0.533 3.173 -5.094 242 2HD1 LEU 33 2HD1 LEU 33 -1.321 1.596 -5.234 243 3HD1 LEU 33 3HD1 LEU 33 -1.504 2.545 -3.758 244 1HD2 LEU 33 1HD2 LEU 33 -3.815 5.017 -5.118 245 2HD2 LEU 33 2HD2 LEU 33 -2.186 5.118 -4.446 246 3HD2 LEU 33 3HD2 LEU 33 -3.417 4.148 -3.635 247 H TYR 34 H TYR 34 -4.312 3.542 -8.817 248 HA TYR 34 HA TYR 34 -6.195 1.694 -7.863 249 1HB TYR 34 2HB TYR 34 -6.352 3.798 -9.989 250 2HB TYR 34 1HB TYR 34 -7.740 2.807 -9.541 251 HD1 TYR 34 1HD TYR 34 -7.248 5.904 -9.226 252 HD2 TYR 34 2HD TYR 34 -6.985 2.586 -6.575 253 HE1 TYR 34 1HE TYR 34 -7.673 7.398 -7.313 254 HE2 TYR 34 2HE TYR 34 -7.416 4.065 -4.666 255 HH TYR 34 HH TYR 34 -7.147 6.460 -4.114 256 H ASN 35 H ASN 35 -4.015 0.503 -9.980 257 HA ASN 35 HA ASN 35 -5.651 -0.580 -12.024 258 1HB ASN 35 2HB ASN 35 -3.067 -1.597 -10.820 259 2HB ASN 35 1HB ASN 35 -3.855 -2.336 -12.210 260 1HD2 ASN 35 1HD2 ASN 35 -1.237 -1.166 -12.044 261 2HD2 ASN 35 2HD2 ASN 35 -1.185 0.145 -13.171 262 H PHE 36 H PHE 36 -7.501 -1.540 -11.388 263 HA PHE 36 HA PHE 36 -7.721 -2.997 -8.950 264 1HB PHE 36 2HB PHE 36 -9.650 -2.652 -11.247 265 2HB PHE 36 1HB PHE 36 -10.049 -3.468 -9.740 266 HD1 PHE 36 1HD PHE 36 -10.059 -0.394 -11.455 267 HD2 PHE 36 2HD PHE 36 -9.648 -2.075 -7.567 268 HE1 PHE 36 1HE PHE 36 -10.673 1.769 -10.458 269 HE2 PHE 36 2HE PHE 36 -10.260 0.088 -6.563 270 HZ PHE 36 HZ PHE 36 -10.773 2.014 -8.012 271 H TRP 37 H TRP 37 -6.921 -3.906 -12.169 272 HA TRP 37 HA TRP 37 -7.687 -6.657 -11.877 273 1HB TRP 37 2HB TRP 37 -6.429 -7.012 -13.978 274 2HB TRP 37 1HB TRP 37 -7.588 -5.697 -14.111 275 HD1 TRP 37 HD TRP 37 -3.816 -6.366 -14.008 276 HE1 TRP 37 1HE TRP 37 -2.576 -4.301 -14.927 277 HE3 TRP 37 3HE TRP 37 -7.795 -3.184 -14.424 278 HZ2 TRP 37 2HZ TRP 37 -3.228 -1.670 -15.734 279 HZ3 TRP 37 3HZ TRP 37 -7.402 -0.911 -15.280 280 HH2 TRP 37 HH TRP 37 -5.166 -0.171 -15.919 281 H LYS 38 H LYS 38 -6.329 -8.426 -11.510 282 HA LYS 38 HA LYS 38 -4.124 -7.884 -9.766 283 1HB LYS 38 2HB LYS 38 -3.908 -10.371 -9.663 284 2HB LYS 38 1HB LYS 38 -5.494 -9.758 -9.215 285 1HG LYS 38 2HG LYS 38 -6.269 -10.305 -11.530 286 2HG LYS 38 1HG LYS 38 -4.712 -11.094 -11.796 287 1HD LYS 38 2HD LYS 38 -6.340 -12.757 -11.171 288 2HD LYS 38 1HD LYS 38 -5.177 -12.567 -9.858 289 1HE LYS 38 2HE LYS 38 -6.740 -11.168 -8.637 290 2HE LYS 38 1HE LYS 38 -7.886 -11.244 -9.975 291 1HZ LYS 38 1HZ LYS 38 -8.006 -13.668 -9.617 292 2HZ LYS 38 2HZ LYS 38 -8.542 -12.779 -8.274 293 3HZ LYS 38 3HZ LYS 38 -7.011 -13.504 -8.255 294 H ASP 39 H ASP 39 -3.164 -6.624 -11.609 295 HA ASP 39 HA ASP 39 -1.858 -7.529 -13.778 296 1HB ASP 39 2HB ASP 39 -1.776 -5.236 -12.488 297 2HB ASP 39 1HB ASP 39 -0.241 -5.869 -11.900 298 H ASP 40 H ASP 40 -0.380 -7.877 -10.467 299 HA ASP 40 HA ASP 40 1.136 -9.357 -9.662 300 1HB ASP 40 2HB ASP 40 -0.126 -11.110 -10.870 301 2HB ASP 40 1HB ASP 40 0.818 -10.792 -12.317 302 H TYR 41 H TYR 41 1.620 -7.018 -11.458 303 HA TYR 41 HA TYR 41 4.234 -7.516 -12.585 304 1HB TYR 41 2HB TYR 41 4.063 -5.416 -13.587 305 2HB TYR 41 1HB TYR 41 2.379 -5.887 -13.460 306 HD1 TYR 41 1HD TYR 41 3.867 -3.060 -13.603 307 HD2 TYR 41 2HD TYR 41 1.989 -5.300 -10.532 308 HE1 TYR 41 1HE TYR 41 3.382 -0.975 -12.391 309 HE2 TYR 41 2HE TYR 41 1.471 -3.227 -9.311 310 HH TYR 41 HH TYR 41 1.827 -0.125 -10.707 311 H VAL 42 H VAL 42 5.861 -5.631 -12.030 312 HA VAL 42 HA VAL 42 6.399 -5.816 -9.184 313 HB VAL 42 HB VAL 42 8.071 -4.607 -11.397 314 1HG1 VAL 42 1HG1 VAL 42 8.734 -3.721 -9.276 315 2HG1 VAL 42 2HG1 VAL 42 9.940 -4.901 -9.790 316 3HG1 VAL 42 3HG1 VAL 42 8.757 -5.331 -8.556 317 1HG2 VAL 42 1HG2 VAL 42 8.045 -7.377 -10.236 318 2HG2 VAL 42 2HG2 VAL 42 9.404 -6.731 -11.153 319 3HG2 VAL 42 3HG2 VAL 42 7.824 -6.897 -11.917 320 H MET 43 H MET 43 5.983 -4.170 -7.808 321 HA MET 43 HA MET 43 4.778 -1.759 -8.752 322 1HB MET 43 2HB MET 43 4.186 -2.827 -6.594 323 2HB MET 43 1HB MET 43 5.794 -2.461 -5.988 324 1HG MET 43 2HG MET 43 5.359 -0.108 -6.093 325 2HG MET 43 1HG MET 43 3.805 -0.388 -6.880 326 1HE MET 43 1HE MET 43 1.720 -2.067 -4.041 327 2HE MET 43 2HE MET 43 2.641 -2.859 -5.321 328 3HE MET 43 3HE MET 43 1.690 -1.417 -5.680 329 H THR 44 H THR 44 5.997 -0.346 -9.830 330 HA THR 44 HA THR 44 8.833 -0.203 -9.326 331 HB THR 44 HB THR 44 8.547 1.592 -11.252 332 HG1 THR 44 1HG THR 44 6.507 0.100 -12.251 333 1HG2 THR 44 1HG2 THR 44 8.233 -1.389 -11.671 334 2HG2 THR 44 2HG2 THR 44 9.754 -0.524 -11.464 335 3HG2 THR 44 3HG2 THR 44 8.761 -0.228 -12.889 336 H ASP 45 H ASP 45 6.045 1.997 -9.040 337 HA ASP 45 HA ASP 45 7.803 4.067 -7.970 338 1HB ASP 45 2HB ASP 45 5.723 4.442 -9.510 339 2HB ASP 45 1HB ASP 45 4.831 4.323 -7.999 340 H ARG 46 H ARG 46 8.408 3.973 -6.058 341 HA ARG 46 HA ARG 46 7.454 2.518 -3.927 342 1HB ARG 46 2HB ARG 46 8.778 3.922 -2.485 343 2HB ARG 46 1HB ARG 46 9.645 3.671 -3.989 344 1HG ARG 46 2HG ARG 46 8.022 6.153 -3.420 345 2HG ARG 46 1HG ARG 46 9.737 5.988 -3.049 346 1HD ARG 46 2HD ARG 46 8.767 5.400 -5.801 347 2HD ARG 46 1HD ARG 46 8.993 7.069 -5.286 348 HE ARG 46 HE ARG 46 11.192 5.138 -5.020 349 1HH1 ARG 46 1HH1 ARG 46 9.839 8.001 -6.485 350 2HH1 ARG 46 2HH1 ARG 46 11.369 8.613 -7.033 351 1HH2 ARG 46 1HH2 ARG 46 13.227 5.924 -5.739 352 2HH2 ARG 46 2HH2 ARG 46 13.304 7.431 -6.599 353 H LEU 47 H LEU 47 6.397 5.704 -4.995 354 HA LEU 47 HA LEU 47 5.086 6.435 -2.636 355 1HB LEU 47 2HB LEU 47 5.835 8.112 -4.075 356 2HB LEU 47 1HB LEU 47 5.100 7.407 -5.487 357 HG LEU 47 HG LEU 47 2.909 8.074 -4.652 358 1HD1 LEU 47 1HD1 LEU 47 2.556 8.965 -2.651 359 2HD1 LEU 47 2HD1 LEU 47 4.089 9.817 -2.598 360 3HD1 LEU 47 3HD1 LEU 47 4.012 8.096 -2.205 361 1HD2 LEU 47 1HD2 LEU 47 4.236 9.523 -6.115 362 2HD2 LEU 47 2HD2 LEU 47 4.945 10.296 -4.693 363 3HD2 LEU 47 3HD2 LEU 47 3.217 10.452 -5.015 364 H ALA 48 H ALA 48 4.284 4.206 -5.076 365 HA ALA 48 HA ALA 48 1.425 4.308 -4.685 366 1HB ALA 48 1HB ALA 48 2.605 3.547 -6.805 367 2HB ALA 48 2HB ALA 48 1.310 2.509 -6.211 368 3HB ALA 48 3HB ALA 48 2.995 2.064 -5.935 369 H GLY 49 H GLY 49 4.002 1.922 -4.063 370 1HA GLY 49 2HA GLY 49 3.063 0.384 -2.088 371 2HA GLY 49 1HA GLY 49 4.654 1.111 -1.981 372 H CYS 50 H CYS 50 4.077 3.805 -1.367 373 HA CYS 50 HA CYS 50 3.412 3.723 1.341 374 1HB CYS 50 2HB CYS 50 2.985 6.148 -0.394 375 2HB CYS 50 1HB CYS 50 3.554 6.093 1.264 376 H ALA 51 H ALA 51 1.477 4.599 -1.513 377 HA ALA 51 HA ALA 51 -0.822 5.235 0.100 378 1HB ALA 51 1HB ALA 51 -0.308 6.479 -1.963 379 2HB ALA 51 2HB ALA 51 -1.922 5.773 -1.989 380 3HB ALA 51 3HB ALA 51 -0.615 5.017 -2.899 381 H ILE 52 H ILE 52 0.456 2.363 -0.770 382 HA ILE 52 HA ILE 52 -1.809 0.859 -1.459 383 HB ILE 52 HB ILE 52 0.815 0.223 -1.136 384 1HG1 ILE 52 2HG1 ILE 52 0.134 -2.109 -1.564 385 2HG1 ILE 52 1HG1 ILE 52 -1.514 -1.706 -1.096 386 1HG2 ILE 52 1HG2 ILE 52 0.709 0.114 1.297 387 2HG2 ILE 52 2HG2 ILE 52 1.001 -1.487 0.621 388 3HG2 ILE 52 3HG2 ILE 52 -0.607 -1.055 1.199 389 1HD1 ILE 52 1HD1 ILE 52 -0.013 -0.559 -3.438 390 2HD1 ILE 52 2HD1 ILE 52 -1.664 -0.153 -2.970 391 3HD1 ILE 52 3HD1 ILE 52 -1.277 -1.786 -3.507 392 H ASN 53 H ASN 53 -0.719 2.243 1.540 393 HA ASN 53 HA ASN 53 -3.336 1.638 2.656 394 1HB ASN 53 2HB ASN 53 -1.850 -0.199 3.471 395 2HB ASN 53 1HB ASN 53 -0.842 1.016 4.251 396 1HD2 ASN 53 1HD2 ASN 53 -1.241 0.163 6.292 397 2HD2 ASN 53 2HD2 ASN 53 -2.758 0.364 7.092 398 H CYS 54 H CYS 54 -3.711 3.853 2.364 399 HA CYS 54 HA CYS 54 -1.993 5.653 3.913 400 1HB CYS 54 2HB CYS 54 -3.167 7.466 2.642 401 2HB CYS 54 1HB CYS 54 -2.246 6.352 1.638 402 H LEU 55 H LEU 55 -5.403 4.761 3.482 403 HA LEU 55 HA LEU 55 -6.383 6.757 5.267 404 1HB LEU 55 2HB LEU 55 -7.473 4.799 3.500 405 2HB LEU 55 1HB LEU 55 -8.253 4.632 5.061 406 HG LEU 55 HG LEU 55 -8.110 7.196 3.461 407 1HD1 LEU 55 1HD1 LEU 55 -9.535 5.543 2.392 408 2HD1 LEU 55 2HD1 LEU 55 -10.503 6.836 3.101 409 3HD1 LEU 55 3HD1 LEU 55 -10.385 5.275 3.913 410 1HD2 LEU 55 1HD2 LEU 55 -9.724 8.026 5.098 411 2HD2 LEU 55 2HD2 LEU 55 -8.197 7.590 5.866 412 3HD2 LEU 55 3HD2 LEU 55 -9.590 6.515 5.999 413 H ALA 56 H ALA 56 -5.721 3.296 5.614 414 HA ALA 56 HA ALA 56 -6.786 3.253 8.294 415 1HB ALA 56 1HB ALA 56 -7.004 1.299 6.837 416 2HB ALA 56 2HB ALA 56 -6.113 0.907 8.308 417 3HB ALA 56 3HB ALA 56 -5.249 1.137 6.788 418 H THR 57 H THR 57 -3.824 4.013 6.838 419 HA THR 57 HA THR 57 -2.244 3.557 9.203 420 HB THR 57 HB THR 57 -1.585 5.062 6.668 421 HG1 THR 57 1HG THR 57 -1.106 3.155 5.930 422 1HG2 THR 57 1HG2 THR 57 0.055 4.380 9.065 423 2HG2 THR 57 2HG2 THR 57 -0.189 5.967 8.335 424 3HG2 THR 57 3HG2 THR 57 0.782 4.747 7.503 425 H LYS 58 H LYS 58 -3.893 6.261 7.623 426 HA LYS 58 HA LYS 58 -2.942 8.226 9.442 427 1HB LYS 58 2HB LYS 58 -5.225 8.151 7.490 428 2HB LYS 58 1HB LYS 58 -4.931 9.542 8.527 429 1HG LYS 58 2HG LYS 58 -2.728 9.833 7.578 430 2HG LYS 58 1HG LYS 58 -2.935 8.382 6.596 431 1HD LYS 58 2HD LYS 58 -3.305 10.449 5.312 432 2HD LYS 58 1HD LYS 58 -4.747 9.436 5.373 433 1HE LYS 58 2HE LYS 58 -5.222 11.847 5.695 434 2HE LYS 58 1HE LYS 58 -5.729 10.844 7.054 435 1HZ LYS 58 1HZ LYS 58 -3.097 12.197 7.065 436 2HZ LYS 58 2HZ LYS 58 -4.021 11.643 8.382 437 3HZ LYS 58 3HZ LYS 58 -4.504 13.024 7.523 438 H LEU 59 H LEU 59 -5.485 5.874 9.593 439 HA LEU 59 HA LEU 59 -7.055 7.047 11.609 440 1HB LEU 59 2HB LEU 59 -6.532 4.145 10.986 441 2HB LEU 59 1HB LEU 59 -7.753 4.710 12.106 442 HG LEU 59 HG LEU 59 -7.676 5.170 9.129 443 1HD1 LEU 59 1HD1 LEU 59 -9.592 3.689 10.916 444 2HD1 LEU 59 2HD1 LEU 59 -8.436 2.962 9.801 445 3HD1 LEU 59 3HD1 LEU 59 -9.781 3.918 9.178 446 1HD2 LEU 59 1HD2 LEU 59 -9.473 6.319 11.249 447 2HD2 LEU 59 2HD2 LEU 59 -9.893 6.290 9.537 448 3HD2 LEU 59 3HD2 LEU 59 -8.479 7.193 10.085 449 H ASP 60 H ASP 60 -4.662 4.412 12.002 450 HA ASP 60 HA ASP 60 -3.391 5.502 14.273 451 1HB ASP 60 2HB ASP 60 -5.629 5.086 15.303 452 2HB ASP 60 1HB ASP 60 -5.455 3.378 14.917 453 H VAL 61 H VAL 61 -1.432 4.607 13.948 454 HA VAL 61 HA VAL 61 -0.979 1.818 14.090 455 HB VAL 61 HB VAL 61 -2.050 1.944 11.844 456 1HG1 VAL 61 1HG1 VAL 61 -0.958 2.991 10.001 457 2HG1 VAL 61 2HG1 VAL 61 0.407 3.458 11.014 458 3HG1 VAL 61 3HG1 VAL 61 -1.176 4.187 11.278 459 1HG2 VAL 61 1HG2 VAL 61 0.850 1.163 11.706 460 2HG2 VAL 61 2HG2 VAL 61 -0.457 0.562 10.680 461 3HG2 VAL 61 3HG2 VAL 61 -0.429 0.162 12.399 462 H VAL 62 H VAL 62 0.160 4.291 15.183 463 HA VAL 62 HA VAL 62 2.783 4.276 13.870 464 HB VAL 62 HB VAL 62 3.231 6.422 14.584 465 1HG1 VAL 62 1HG1 VAL 62 1.827 6.864 12.897 466 2HG1 VAL 62 2HG1 VAL 62 0.961 7.686 14.196 467 3HG1 VAL 62 3HG1 VAL 62 0.455 6.077 13.678 468 1HG2 VAL 62 1HG2 VAL 62 0.989 6.256 16.574 469 2HG2 VAL 62 2HG2 VAL 62 1.936 7.700 16.241 470 3HG2 VAL 62 3HG2 VAL 62 2.710 6.274 16.930 471 H ASP 63 H ASP 63 4.357 3.152 14.773 472 HA ASP 63 HA ASP 63 4.193 2.090 17.389 473 1HB ASP 63 2HB ASP 63 5.578 1.347 15.218 474 2HB ASP 63 1HB ASP 63 6.843 2.244 16.043 475 HA PRO 64 HA PRO 64 7.476 5.175 18.727 476 1HB PRO 64 2HB PRO 64 8.730 6.675 16.731 477 2HB PRO 64 1HB PRO 64 9.255 5.093 17.312 478 1HG PRO 64 2HG PRO 64 8.309 5.689 14.730 479 2HG PRO 64 1HG PRO 64 8.533 4.071 15.419 480 1HD PRO 64 2HD PRO 64 6.051 5.741 15.264 481 2HD PRO 64 1HD PRO 64 6.239 3.998 15.014 482 H ASP 65 H ASP 65 8.289 7.812 17.465 483 HA ASP 65 HA ASP 65 6.398 9.386 18.934 484 1HB ASP 65 2HB ASP 65 8.760 10.221 17.240 485 2HB ASP 65 1HB ASP 65 7.881 11.270 18.344 486 H GLY 66 H GLY 66 5.751 8.098 16.169 487 1HA GLY 66 2HA GLY 66 3.827 9.266 14.973 488 2HA GLY 66 1HA GLY 66 4.975 10.565 14.755 489 H ASN 67 H ASN 67 7.028 9.970 13.732 490 HA ASN 67 HA ASN 67 6.522 8.713 11.205 491 1HB ASN 67 2HB ASN 67 8.988 9.338 10.859 492 2HB ASN 67 1HB ASN 67 7.855 10.662 11.128 493 1HD2 ASN 67 1HD2 ASN 67 10.499 8.838 12.463 494 2HD2 ASN 67 2HD2 ASN 67 10.806 9.885 13.808 495 H LEU 68 H LEU 68 7.713 6.987 10.284 496 HA LEU 68 HA LEU 68 8.937 5.092 10.138 497 1HB LEU 68 2HB LEU 68 10.149 6.336 12.552 498 2HB LEU 68 1HB LEU 68 10.501 4.647 12.245 499 HG LEU 68 HG LEU 68 12.240 6.167 11.372 500 1HD1 LEU 68 1HD1 LEU 68 10.735 4.702 9.211 501 2HD1 LEU 68 2HD1 LEU 68 11.874 3.977 10.345 502 3HD1 LEU 68 3HD1 LEU 68 12.434 5.169 9.173 503 1HD2 LEU 68 1HD2 LEU 68 10.119 7.109 9.442 504 2HD2 LEU 68 2HD2 LEU 68 11.817 7.592 9.472 505 3HD2 LEU 68 3HD2 LEU 68 10.746 8.052 10.796 506 H HIS 69 H HIS 69 6.345 4.944 11.066 507 HA HIS 69 HA HIS 69 6.218 3.090 13.257 508 1HB HIS 69 2HB HIS 69 3.785 2.825 12.369 509 2HB HIS 69 1HB HIS 69 4.266 4.332 13.133 510 HD1 HIS 69 1HD HIS 69 3.601 2.883 9.688 511 HD2 HIS 69 2HD HIS 69 4.001 6.570 11.571 512 HE1 HIS 69 1HE HIS 69 2.919 4.598 7.982 513 HE2 HIS 69 2HE HIS 69 3.164 6.829 9.139 514 H HIS 70 H HIS 70 7.706 1.533 12.491 515 HA HIS 70 HA HIS 70 7.039 -0.028 10.142 516 1HB HIS 70 2HB HIS 70 9.344 0.430 10.442 517 2HB HIS 70 1HB HIS 70 9.302 -0.054 12.130 518 HD1 HIS 70 1HD HIS 70 9.138 -1.595 8.662 519 HD2 HIS 70 2HD HIS 70 10.021 -2.603 12.593 520 HE1 HIS 70 1HE HIS 70 9.995 -3.955 8.571 521 HE2 HIS 70 2HE HIS 70 10.734 -4.460 10.927 522 H GLY 71 H GLY 71 7.682 -0.906 13.561 523 1HA GLY 71 2HA GLY 71 6.757 -3.545 13.400 524 2HA GLY 71 1HA GLY 71 6.881 -2.605 14.873 525 H ASN 72 H ASN 72 5.077 -0.753 14.763 526 HA ASN 72 HA ASN 72 2.674 -2.013 15.337 527 1HB ASN 72 2HB ASN 72 3.476 0.401 15.888 528 2HB ASN 72 1HB ASN 72 2.704 0.830 14.370 529 1HD2 ASN 72 1HD2 ASN 72 2.061 1.562 17.155 530 2HD2 ASN 72 2HD2 ASN 72 0.417 1.085 17.399 531 H ALA 73 H ALA 73 3.788 -0.716 12.245 532 HA ALA 73 HA ALA 73 1.267 -0.755 10.954 533 1HB ALA 73 1HB ALA 73 3.159 0.544 10.101 534 2HB ALA 73 2HB ALA 73 2.515 -0.551 8.877 535 3HB ALA 73 3HB ALA 73 4.011 -0.953 9.722 536 H LYS 74 H LYS 74 3.809 -3.144 11.371 537 HA LYS 74 HA LYS 74 2.540 -5.007 9.581 538 1HB LYS 74 2HB LYS 74 4.730 -5.553 11.571 539 2HB LYS 74 1HB LYS 74 4.247 -6.582 10.233 540 1HG LYS 74 2HG LYS 74 5.708 -3.972 10.161 541 2HG LYS 74 1HG LYS 74 6.149 -5.526 9.465 542 1HD LYS 74 2HD LYS 74 3.852 -3.823 8.519 543 2HD LYS 74 1HD LYS 74 5.447 -3.862 7.769 544 1HE LYS 74 2HE LYS 74 5.164 -6.234 7.271 545 2HE LYS 74 1HE LYS 74 3.585 -6.219 8.056 546 1HZ LYS 74 1HZ LYS 74 2.795 -4.669 6.393 547 2HZ LYS 74 2HZ LYS 74 3.410 -6.050 5.638 548 3HZ LYS 74 3HZ LYS 74 4.318 -4.619 5.650 549 H ASP 75 H ASP 75 2.791 -4.589 13.092 550 HA ASP 75 HA ASP 75 1.305 -6.890 13.798 551 1HB ASP 75 2HB ASP 75 2.674 -5.627 15.418 552 2HB ASP 75 1HB ASP 75 1.553 -4.274 15.305 553 H PHE 76 H PHE 76 0.366 -3.558 13.098 554 HA PHE 76 HA PHE 76 -2.373 -3.731 13.568 555 1HB PHE 76 2HB PHE 76 -1.447 -1.591 13.132 556 2HB PHE 76 1HB PHE 76 -0.767 -2.113 11.596 557 HD1 PHE 76 1HD PHE 76 -4.083 -1.795 13.275 558 HD2 PHE 76 2HD PHE 76 -1.845 -1.501 9.677 559 HE1 PHE 76 1HE PHE 76 -6.077 -0.941 12.113 560 HE2 PHE 76 2HE PHE 76 -3.834 -0.650 8.502 561 HZ PHE 76 HZ PHE 76 -5.952 -0.368 9.722 562 H ALA 77 H ALA 77 -0.482 -4.614 10.716 563 HA ALA 77 HA ALA 77 -2.731 -5.249 9.115 564 1HB ALA 77 1HB ALA 77 -1.021 -6.559 7.768 565 2HB ALA 77 2HB ALA 77 0.175 -6.005 8.942 566 3HB ALA 77 3HB ALA 77 -0.715 -4.833 7.969 567 H MET 78 H MET 78 -0.681 -7.147 11.277 568 HA MET 78 HA MET 78 -1.824 -9.668 10.611 569 1HB MET 78 2HB MET 78 -0.455 -8.873 13.187 570 2HB MET 78 1HB MET 78 -0.739 -10.511 12.629 571 1HG MET 78 2HG MET 78 0.748 -10.085 10.719 572 2HG MET 78 1HG MET 78 1.071 -8.476 11.364 573 1HE MET 78 1HE MET 78 3.455 -10.347 10.699 574 2HE MET 78 2HE MET 78 4.445 -10.224 12.154 575 3HE MET 78 3HE MET 78 3.665 -8.787 11.495 576 H LYS 79 H LYS 79 -2.546 -7.234 13.053 577 HA LYS 79 HA LYS 79 -4.483 -9.001 14.293 578 1HB LYS 79 2HB LYS 79 -2.947 -7.637 15.659 579 2HB LYS 79 1HB LYS 79 -3.660 -6.176 15.005 580 1HG LYS 79 2HG LYS 79 -5.654 -6.485 16.172 581 2HG LYS 79 1HG LYS 79 -5.317 -8.191 16.473 582 1HD LYS 79 2HD LYS 79 -5.005 -6.742 18.471 583 2HD LYS 79 1HD LYS 79 -3.560 -7.641 18.008 584 1HE LYS 79 2HE LYS 79 -2.800 -5.583 16.777 585 2HE LYS 79 1HE LYS 79 -4.148 -4.725 17.520 586 1HZ LYS 79 1HZ LYS 79 -3.234 -5.289 19.701 587 2HZ LYS 79 2HZ LYS 79 -2.128 -4.396 18.778 588 3HZ LYS 79 3HZ LYS 79 -1.922 -6.068 18.961 589 H HIS 80 H HIS 80 -4.438 -6.805 11.757 590 HA HIS 80 HA HIS 80 -7.365 -6.770 11.739 591 1HB HIS 80 2HB HIS 80 -5.775 -4.258 11.164 592 2HB HIS 80 1HB HIS 80 -7.524 -4.421 11.205 593 HD1 HIS 80 1HD HIS 80 -8.672 -4.373 13.505 594 HD2 HIS 80 2HD HIS 80 -4.525 -4.053 13.677 595 HE1 HIS 80 1HE HIS 80 -8.138 -3.675 15.866 596 HE2 HIS 80 2HE HIS 80 -5.621 -3.602 15.976 597 H GLY 81 H GLY 81 -7.223 -8.301 10.040 598 1HA GLY 81 2HA GLY 81 -7.815 -8.030 7.652 599 2HA GLY 81 1HA GLY 81 -6.343 -7.087 7.495 600 H ALA 82 H ALA 82 -4.296 -8.256 8.018 601 HA ALA 82 HA ALA 82 -4.343 -10.748 6.527 602 1HB ALA 82 1HB ALA 82 -1.721 -10.132 7.412 603 2HB ALA 82 2HB ALA 82 -2.482 -8.626 6.894 604 3HB ALA 82 3HB ALA 82 -2.389 -9.995 5.784 605 H ASP 83 H ASP 83 -3.917 -12.742 7.337 606 HA ASP 83 HA ASP 83 -3.921 -13.042 10.215 607 1HB ASP 83 2HB ASP 83 -4.016 -15.411 9.825 608 2HB ASP 83 1HB ASP 83 -5.153 -14.595 8.782 609 H GLU 84 H GLU 84 -2.370 -14.377 11.298 610 HA GLU 84 HA GLU 84 -0.046 -12.930 11.105 611 1HB GLU 84 2HB GLU 84 0.615 -14.148 13.095 612 2HB GLU 84 1HB GLU 84 -1.083 -13.742 13.164 613 1HG GLU 84 2HG GLU 84 0.089 -16.442 12.634 614 2HG GLU 84 1HG GLU 84 -0.823 -15.905 14.034 615 H THR 85 H THR 85 -0.791 -16.273 10.497 616 HA THR 85 HA THR 85 1.577 -17.327 9.706 617 HB THR 85 HB THR 85 -1.273 -17.698 8.957 618 HG1 THR 85 1HG THR 85 -0.773 -18.562 10.881 619 1HG2 THR 85 1HG2 THR 85 -0.176 -18.275 6.913 620 2HG2 THR 85 2HG2 THR 85 -0.639 -19.774 7.723 621 3HG2 THR 85 3HG2 THR 85 1.040 -19.228 7.760 622 H MET 86 H MET 86 -0.696 -15.394 7.700 623 HA MET 86 HA MET 86 0.959 -15.697 5.372 624 1HB MET 86 2HB MET 86 -0.794 -14.851 4.214 625 2HB MET 86 1HB MET 86 -1.678 -15.126 5.704 626 1HG MET 86 2HG MET 86 -1.530 -12.854 6.328 627 2HG MET 86 1HG MET 86 -0.356 -12.528 5.064 628 1HE MET 86 1HE MET 86 -2.591 -12.999 1.839 629 2HE MET 86 2HE MET 86 -1.704 -14.273 2.676 630 3HE MET 86 3HE MET 86 -0.960 -12.693 2.438 631 H ALA 87 H ALA 87 0.346 -13.217 7.766 632 HA ALA 87 HA ALA 87 1.986 -11.190 6.748 633 1HB ALA 87 1HB ALA 87 1.198 -11.948 9.542 634 2HB ALA 87 2HB ALA 87 0.488 -10.699 8.516 635 3HB ALA 87 3HB ALA 87 2.117 -10.491 9.166 636 H GLN 88 H GLN 88 2.635 -14.039 8.655 637 HA GLN 88 HA GLN 88 5.337 -13.472 9.325 638 1HB GLN 88 2HB GLN 88 3.434 -15.654 9.682 639 2HB GLN 88 1HB GLN 88 5.080 -16.215 9.449 640 1HG GLN 88 2HG GLN 88 4.298 -15.864 11.832 641 2HG GLN 88 1HG GLN 88 5.841 -15.147 11.380 642 1HE2 GLN 88 1HE2 GLN 88 2.499 -14.497 12.251 643 2HE2 GLN 88 2HE2 GLN 88 2.733 -12.798 12.531 644 H GLN 89 H GLN 89 3.778 -14.892 6.589 645 HA GLN 89 HA GLN 89 6.203 -15.946 5.456 646 1HB GLN 89 2HB GLN 89 3.565 -15.382 4.054 647 2HB GLN 89 1HB GLN 89 4.908 -16.302 3.403 648 1HG GLN 89 2HG GLN 89 3.218 -17.045 5.774 649 2HG GLN 89 1HG GLN 89 3.153 -17.765 4.167 650 1HE2 GLN 89 1HE2 GLN 89 4.883 -17.569 7.150 651 2HE2 GLN 89 2HE2 GLN 89 5.955 -18.897 6.855 652 H LEU 90 H LEU 90 4.578 -12.911 5.561 653 HA LEU 90 HA LEU 90 6.073 -11.797 3.338 654 1HB LEU 90 2HB LEU 90 3.794 -11.055 3.631 655 2HB LEU 90 1HB LEU 90 4.103 -10.619 5.297 656 HG LEU 90 HG LEU 90 5.738 -8.880 4.380 657 1HD1 LEU 90 1HD1 LEU 90 4.139 -9.149 1.853 658 2HD1 LEU 90 2HD1 LEU 90 5.694 -9.961 2.062 659 3HD1 LEU 90 3HD1 LEU 90 5.599 -8.202 2.151 660 1HD2 LEU 90 1HD2 LEU 90 2.791 -8.613 3.805 661 2HD2 LEU 90 2HD2 LEU 90 3.932 -7.280 3.978 662 3HD2 LEU 90 3HD2 LEU 90 3.580 -8.323 5.356 663 H VAL 91 H VAL 91 5.923 -11.469 6.869 664 HA VAL 91 HA VAL 91 7.773 -9.377 7.101 665 HB VAL 91 HB VAL 91 8.125 -10.223 9.460 666 1HG1 VAL 91 1HG1 VAL 91 5.747 -9.647 10.121 667 2HG1 VAL 91 2HG1 VAL 91 5.398 -9.545 8.392 668 3HG1 VAL 91 3HG1 VAL 91 6.586 -8.461 9.116 669 1HG2 VAL 91 1HG2 VAL 91 7.394 -12.610 8.761 670 2HG2 VAL 91 2HG2 VAL 91 5.765 -11.985 8.984 671 3HG2 VAL 91 3HG2 VAL 91 6.904 -11.978 10.328 672 H ASP 92 H ASP 92 8.291 -12.792 6.686 673 HA ASP 92 HA ASP 92 10.935 -12.885 7.654 674 1HB ASP 92 2HB ASP 92 9.815 -14.956 7.366 675 2HB ASP 92 1HB ASP 92 9.457 -14.622 5.678 676 H ILE 93 H ILE 93 9.565 -12.315 4.455 677 HA ILE 93 HA ILE 93 12.022 -11.890 3.115 678 HB ILE 93 HB ILE 93 9.154 -11.269 2.509 679 1HG1 ILE 93 2HG1 ILE 93 9.691 -12.596 0.459 680 2HG1 ILE 93 1HG1 ILE 93 11.319 -12.825 1.084 681 1HG2 ILE 93 1HG2 ILE 93 10.482 -9.281 1.841 682 2HG2 ILE 93 2HG2 ILE 93 9.693 -10.107 0.496 683 3HG2 ILE 93 3HG2 ILE 93 11.420 -10.325 0.774 684 1HD1 ILE 93 1HD1 ILE 93 8.778 -13.796 2.371 685 2HD1 ILE 93 2HD1 ILE 93 10.407 -14.029 3.006 686 3HD1 ILE 93 3HD1 ILE 93 9.938 -14.779 1.478 687 H ILE 94 H ILE 94 9.716 -9.774 4.749 688 HA ILE 94 HA ILE 94 10.800 -7.298 4.040 689 HB ILE 94 HB ILE 94 9.484 -8.034 6.659 690 1HG1 ILE 94 2HG1 ILE 94 8.340 -6.927 4.085 691 2HG1 ILE 94 1HG1 ILE 94 8.060 -8.532 4.754 692 1HG2 ILE 94 1HG2 ILE 94 8.977 -5.636 6.840 693 2HG2 ILE 94 2HG2 ILE 94 9.909 -5.335 5.374 694 3HG2 ILE 94 3HG2 ILE 94 10.715 -5.937 6.824 695 1HD1 ILE 94 1HD1 ILE 94 7.268 -5.976 6.104 696 2HD1 ILE 94 2HD1 ILE 94 6.858 -7.616 6.605 697 3HD1 ILE 94 3HD1 ILE 94 6.193 -6.957 5.109 698 H HIS 95 H HIS 95 11.547 -9.438 6.761 699 HA HIS 95 HA HIS 95 13.427 -7.625 7.918 700 1HB HIS 95 2HB HIS 95 13.177 -10.604 8.378 701 2HB HIS 95 1HB HIS 95 14.099 -9.487 9.364 702 HD1 HIS 95 1HD HIS 95 11.912 -11.182 10.623 703 HD2 HIS 95 2HD HIS 95 11.281 -7.357 9.132 704 HE1 HIS 95 1HE HIS 95 9.907 -10.297 11.860 705 HE2 HIS 95 2HE HIS 95 9.732 -7.887 11.138 706 H GLY 96 H GLY 96 13.629 -10.197 5.551 707 1HA GLY 96 2HA GLY 96 16.495 -10.441 5.828 708 2HA GLY 96 1HA GLY 96 15.480 -11.286 4.669 709 H CYS 97 H CYS 97 14.335 -9.412 3.172 710 HA CYS 97 HA CYS 97 16.560 -8.513 1.679 711 1HB CYS 97 2HB CYS 97 13.617 -8.472 1.221 712 2HB CYS 97 1HB CYS 97 14.648 -7.432 0.236 713 H GLU 98 H GLU 98 14.254 -6.769 3.815 714 HA GLU 98 HA GLU 98 15.377 -4.239 3.183 715 1HB GLU 98 2HB GLU 98 13.261 -4.431 4.426 716 2HB GLU 98 1HB GLU 98 14.131 -5.091 5.805 717 1HG GLU 98 2HG GLU 98 15.305 -3.025 6.134 718 2HG GLU 98 1HG GLU 98 14.637 -2.358 4.649 719 H LYS 99 H LYS 99 16.364 -6.757 5.477 720 HA LYS 99 HA LYS 99 18.393 -5.280 6.761 721 1HB LYS 99 2HB LYS 99 17.618 -7.356 7.691 722 2HB LYS 99 1HB LYS 99 18.083 -8.239 6.245 723 1HG LYS 99 2HG LYS 99 20.444 -7.726 6.739 724 2HG LYS 99 1HG LYS 99 19.931 -6.954 8.242 725 1HD LYS 99 2HD LYS 99 20.665 -9.257 8.632 726 2HD LYS 99 1HD LYS 99 18.950 -9.059 8.998 727 1HE LYS 99 2HE LYS 99 19.248 -11.119 7.803 728 2HE LYS 99 1HE LYS 99 18.417 -9.973 6.754 729 1HZ LYS 99 1HZ LYS 99 20.080 -11.069 5.483 730 2HZ LYS 99 2HZ LYS 99 21.275 -10.763 6.645 731 3HZ LYS 99 3HZ LYS 99 20.626 -9.485 5.744 732 H SER 100 H SER 100 18.433 -7.303 3.854 733 HA SER 100 HA SER 100 21.223 -6.522 3.392 734 1HB SER 100 2HB SER 100 19.563 -8.757 2.207 735 2HB SER 100 1HB SER 100 21.235 -8.407 1.764 736 HG SER 100 HG SER 100 21.926 -9.107 3.675 737 H ALA 101 H ALA 101 18.804 -4.848 2.863 738 HA ALA 101 HA ALA 101 18.420 -4.666 0.055 739 1HB ALA 101 1HB ALA 101 17.937 -2.681 2.277 740 2HB ALA 101 2HB ALA 101 16.749 -3.728 1.494 741 3HB ALA 101 3HB ALA 101 17.487 -2.402 0.596 742 HA PRO 102 HA PRO 102 21.972 -2.450 -1.449 743 1HB PRO 102 2HB PRO 102 20.028 -0.483 -2.564 744 2HB PRO 102 1HB PRO 102 21.331 -1.360 -3.375 745 1HG PRO 102 2HG PRO 102 18.794 -2.076 -3.723 746 2HG PRO 102 1HG PRO 102 20.072 -3.297 -3.588 747 1HD PRO 102 2HD PRO 102 18.037 -2.450 -1.576 748 2HD PRO 102 1HD PRO 102 18.713 -4.060 -1.893 749 HA PRO 103 HA PRO 103 22.704 0.768 1.468 750 1HB PRO 103 2HB PRO 103 24.622 1.993 -0.386 751 2HB PRO 103 1HB PRO 103 24.910 1.201 1.165 752 1HG PRO 103 2HG PRO 103 25.655 0.071 -1.155 753 2HG PRO 103 1HG PRO 103 25.074 -0.899 0.214 754 1HD PRO 103 2HD PRO 103 23.595 -0.022 -2.246 755 2HD PRO 103 1HD PRO 103 23.616 -1.615 -1.456 756 H ASN 104 H ASN 104 20.719 1.310 -0.828 757 HA ASN 104 HA ASN 104 20.808 4.245 -0.680 758 1HB ASN 104 2HB ASN 104 19.150 2.438 -2.465 759 2HB ASN 104 1HB ASN 104 19.058 4.195 -2.447 760 1HD2 ASN 104 1HD2 ASN 104 19.740 2.347 -4.600 761 2HD2 ASN 104 2HD2 ASN 104 21.305 2.824 -5.163 762 H ASP 105 H ASP 105 20.022 4.523 1.393 763 HA ASP 105 HA ASP 105 17.636 3.165 2.265 764 1HB ASP 105 2HB ASP 105 19.483 3.875 3.825 765 2HB ASP 105 1HB ASP 105 18.998 5.544 3.550 766 H ASP 106 H ASP 106 15.975 3.718 0.910 767 HA ASP 106 HA ASP 106 15.342 6.577 0.737 768 1HB ASP 106 2HB ASP 106 15.529 5.210 -1.399 769 2HB ASP 106 1HB ASP 106 14.057 4.388 -0.890 770 H LYS 107 H LYS 107 13.894 7.334 1.939 771 HA LYS 107 HA LYS 107 12.673 6.456 4.069 772 1HB LYS 107 2HB LYS 107 12.565 8.742 3.097 773 2HB LYS 107 1HB LYS 107 11.251 8.208 2.067 774 1HG LYS 107 2HG LYS 107 10.968 7.877 5.006 775 2HG LYS 107 1HG LYS 107 10.822 9.494 4.317 776 1HD LYS 107 2HD LYS 107 9.157 8.415 2.677 777 2HD LYS 107 1HD LYS 107 9.122 7.071 3.820 778 1HE LYS 107 2HE LYS 107 7.305 8.597 4.290 779 2HE LYS 107 1HE LYS 107 8.478 8.635 5.607 780 1HZ LYS 107 1HZ LYS 107 9.392 10.677 4.711 781 2HZ LYS 107 2HZ LYS 107 7.726 10.861 4.979 782 3HZ LYS 107 3HZ LYS 107 8.311 10.628 3.403 783 H CYS 108 H CYS 108 10.482 6.577 1.219 784 HA CYS 108 HA CYS 108 9.013 4.380 2.461 785 1HB CYS 108 2HB CYS 108 7.845 6.505 1.812 786 2HB CYS 108 1HB CYS 108 8.144 6.096 0.137 787 H MET 109 H MET 109 11.434 4.565 0.150 788 HA MET 109 HA MET 109 10.079 3.055 -1.854 789 1HB MET 109 2HB MET 109 11.476 4.605 -2.807 790 2HB MET 109 1HB MET 109 12.763 4.313 -1.646 791 1HG MET 109 2HG MET 109 13.326 2.262 -2.682 792 2HG MET 109 1HG MET 109 11.931 2.344 -3.755 793 1HE MET 109 1HE MET 109 15.081 2.804 -6.100 794 2HE MET 109 2HE MET 109 13.673 1.801 -5.746 795 3HE MET 109 3HE MET 109 15.029 1.852 -4.618 796 H LYS 110 H LYS 110 12.206 2.364 0.792 797 HA LYS 110 HA LYS 110 13.568 0.115 -0.193 798 1HB LYS 110 2HB LYS 110 13.999 -0.551 2.083 799 2HB LYS 110 1HB LYS 110 14.209 1.186 1.945 800 1HG LYS 110 2HG LYS 110 11.565 0.256 2.831 801 2HG LYS 110 1HG LYS 110 12.901 -0.095 3.924 802 1HD LYS 110 2HD LYS 110 13.517 2.377 3.639 803 2HD LYS 110 1HD LYS 110 11.888 2.557 2.975 804 1HE LYS 110 2HE LYS 110 11.952 3.047 5.379 805 2HE LYS 110 1HE LYS 110 10.929 1.658 5.014 806 1HZ LYS 110 1HZ LYS 110 12.717 0.185 5.686 807 2HZ LYS 110 2HZ LYS 110 12.343 1.261 6.941 808 3HZ LYS 110 3HZ LYS 110 13.731 1.513 6.000 809 H THR 111 H THR 111 10.585 0.355 1.562 810 HA THR 111 HA THR 111 9.965 -2.308 1.813 811 HB THR 111 HB THR 111 8.948 -0.485 3.033 812 HG1 THR 111 1HG THR 111 6.617 -1.346 2.561 813 1HG2 THR 111 1HG2 THR 111 7.335 0.097 0.520 814 2HG2 THR 111 2HG2 THR 111 8.599 1.115 1.211 815 3HG2 THR 111 3HG2 THR 111 7.113 0.832 2.108 816 H ILE 112 H ILE 112 10.138 -0.588 -1.139 817 HA ILE 112 HA ILE 112 8.204 -2.378 -2.400 818 HB ILE 112 HB ILE 112 9.398 0.134 -3.153 819 1HG1 ILE 112 2HG1 ILE 112 7.303 0.192 -4.571 820 2HG1 ILE 112 1HG1 ILE 112 6.934 -1.391 -3.897 821 1HG2 ILE 112 1HG2 ILE 112 9.152 -1.961 -5.285 822 2HG2 ILE 112 2HG2 ILE 112 10.646 -1.190 -4.751 823 3HG2 ILE 112 3HG2 ILE 112 9.407 -0.241 -5.571 824 1HD1 ILE 112 1HD1 ILE 112 7.427 1.032 -2.202 825 2HD1 ILE 112 2HD1 ILE 112 6.758 -0.521 -1.706 826 3HD1 ILE 112 3HD1 ILE 112 5.829 0.542 -2.764 827 H ASP 113 H ASP 113 11.660 -1.607 -2.307 828 HA ASP 113 HA ASP 113 12.565 -3.602 -4.048 829 1HB ASP 113 2HB ASP 113 13.898 -2.560 -1.521 830 2HB ASP 113 1HB ASP 113 14.689 -3.569 -2.727 831 H VAL 114 H VAL 114 11.607 -3.800 -0.650 832 HA VAL 114 HA VAL 114 12.487 -6.530 -0.456 833 HB VAL 114 HB VAL 114 11.895 -6.408 1.824 834 1HG1 VAL 114 1HG1 VAL 114 12.937 -3.960 2.240 835 2HG1 VAL 114 2HG1 VAL 114 13.367 -4.207 0.553 836 3HG1 VAL 114 3HG1 VAL 114 13.888 -5.366 1.777 837 1HG2 VAL 114 1HG2 VAL 114 9.763 -5.340 1.649 838 2HG2 VAL 114 2HG2 VAL 114 10.508 -3.815 1.200 839 3HG2 VAL 114 3HG2 VAL 114 10.759 -4.488 2.815 840 H ALA 115 H ALA 115 9.490 -4.729 -0.842 841 HA ALA 115 HA ALA 115 7.642 -6.818 -0.591 842 1HB ALA 115 1HB ALA 115 7.045 -4.444 -0.804 843 2HB ALA 115 2HB ALA 115 6.117 -5.485 -1.874 844 3HB ALA 115 3HB ALA 115 7.445 -4.513 -2.513 845 H MET 116 H MET 116 9.384 -5.659 -3.478 846 HA MET 116 HA MET 116 8.257 -7.679 -5.105 847 1HB MET 116 2HB MET 116 10.031 -7.176 -6.784 848 2HB MET 116 1HB MET 116 9.042 -5.815 -6.309 849 1HG MET 116 2HG MET 116 10.852 -4.928 -4.965 850 2HG MET 116 1HG MET 116 11.850 -6.339 -5.344 851 1HE MET 116 1HE MET 116 13.455 -3.265 -7.266 852 2HE MET 116 2HE MET 116 13.777 -4.541 -6.094 853 3HE MET 116 3HE MET 116 12.639 -3.253 -5.705 854 H CYS 117 H CYS 117 10.745 -7.713 -2.821 855 HA CYS 117 HA CYS 117 12.126 -10.064 -3.652 856 1HB CYS 117 2HB CYS 117 13.183 -8.569 -2.090 857 2HB CYS 117 1HB CYS 117 11.817 -8.672 -0.989 858 H PHE 118 H PHE 118 9.217 -9.348 -1.970 859 HA PHE 118 HA PHE 118 8.884 -11.996 -0.905 860 1HB PHE 118 2HB PHE 118 7.882 -10.265 0.377 861 2HB PHE 118 1HB PHE 118 7.014 -9.623 -1.011 862 HD1 PHE 118 1HD PHE 118 7.264 -12.600 1.195 863 HD2 PHE 118 2HD PHE 118 4.838 -10.330 -1.465 864 HE1 PHE 118 1HE PHE 118 5.318 -13.985 1.787 865 HE2 PHE 118 2HE PHE 118 2.891 -11.712 -0.875 866 HZ PHE 118 HZ PHE 118 3.131 -13.541 0.752 867 H LYS 119 H LYS 119 7.299 -10.190 -3.592 868 HA LYS 119 HA LYS 119 5.897 -12.579 -4.306 869 1HB LYS 119 2HB LYS 119 5.400 -11.380 -6.545 870 2HB LYS 119 1HB LYS 119 4.592 -10.892 -5.078 871 1HG LYS 119 2HG LYS 119 5.038 -8.841 -5.778 872 2HG LYS 119 1HG LYS 119 6.679 -9.136 -5.147 873 1HD LYS 119 2HD LYS 119 5.730 -9.534 -7.994 874 2HD LYS 119 1HD LYS 119 6.718 -8.198 -7.413 875 1HE LYS 119 2HE LYS 119 8.529 -9.714 -6.907 876 2HE LYS 119 1HE LYS 119 7.531 -11.097 -7.354 877 1HZ LYS 119 1HZ LYS 119 8.773 -10.747 -9.237 878 2HZ LYS 119 2HZ LYS 119 8.761 -9.061 -9.087 879 3HZ LYS 119 3HZ LYS 119 7.364 -9.874 -9.609 880 H LYS 120 H LYS 120 9.054 -11.469 -4.904 881 HA LYS 120 HA LYS 120 9.704 -13.098 -7.117 882 1HB LYS 120 2HB LYS 120 11.142 -11.622 -5.115 883 2HB LYS 120 1HB LYS 120 11.851 -13.224 -5.268 884 1HG LYS 120 2HG LYS 120 13.017 -12.387 -6.966 885 2HG LYS 120 1HG LYS 120 11.512 -12.437 -7.885 886 1HD LYS 120 2HD LYS 120 12.551 -10.240 -8.038 887 2HD LYS 120 1HD LYS 120 11.011 -10.146 -7.180 888 1HE LYS 120 2HE LYS 120 12.469 -8.827 -5.896 889 2HE LYS 120 1HE LYS 120 12.376 -10.364 -5.046 890 1HZ LYS 120 1HZ LYS 120 14.572 -9.645 -6.910 891 2HZ LYS 120 2HZ LYS 120 14.464 -11.043 -5.954 892 3HZ LYS 120 3HZ LYS 120 14.659 -9.528 -5.220 893 H GLU 121 H GLU 121 10.038 -13.738 -3.625 894 HA GLU 121 HA GLU 121 10.412 -16.489 -3.767 895 1HB GLU 121 2HB GLU 121 9.177 -14.760 -1.638 896 2HB GLU 121 1HB GLU 121 9.384 -16.494 -1.426 897 1HG GLU 121 2HG GLU 121 11.581 -14.500 -1.944 898 2HG GLU 121 1HG GLU 121 11.205 -15.262 -0.400 899 H ILE 122 H ILE 122 7.250 -14.783 -3.355 900 HA ILE 122 HA ILE 122 5.691 -17.065 -3.334 901 HB ILE 122 HB ILE 122 5.207 -14.316 -3.266 902 1HG1 ILE 122 2HG1 ILE 122 4.229 -16.113 -1.884 903 2HG1 ILE 122 1HG1 ILE 122 3.038 -14.969 -2.484 904 1HG2 ILE 122 1HG2 ILE 122 3.456 -15.494 -5.415 905 2HG2 ILE 122 2HG2 ILE 122 4.825 -14.430 -5.743 906 3HG2 ILE 122 3HG2 ILE 122 3.457 -13.841 -4.799 907 1HD1 ILE 122 1HD1 ILE 122 2.403 -16.582 -4.225 908 2HD1 ILE 122 2HD1 ILE 122 2.183 -17.224 -2.597 909 3HD1 ILE 122 3HD1 ILE 122 3.570 -17.726 -3.563 910 H HIS 123 H HIS 123 7.018 -15.315 -6.142 911 HA HIS 123 HA HIS 123 5.674 -16.942 -8.060 912 1HB HIS 123 2HB HIS 123 8.014 -15.069 -8.200 913 2HB HIS 123 1HB HIS 123 7.628 -16.105 -9.569 914 HD1 HIS 123 1HD HIS 123 7.187 -13.782 -10.839 915 HD2 HIS 123 2HD HIS 123 4.497 -14.726 -7.800 916 HE1 HIS 123 1HE HIS 123 5.189 -12.305 -11.215 917 HE2 HIS 123 2HE HIS 123 3.554 -12.891 -9.393 918 H LYS 124 H LYS 124 8.740 -17.291 -6.317 919 HA LYS 124 HA LYS 124 9.767 -19.466 -7.767 920 1HB LYS 124 2HB LYS 124 11.113 -18.156 -6.209 921 2HB LYS 124 1HB LYS 124 10.094 -18.657 -4.869 922 1HG LYS 124 2HG LYS 124 12.041 -19.947 -4.713 923 2HG LYS 124 1HG LYS 124 10.814 -21.025 -5.381 924 1HD LYS 124 2HD LYS 124 11.687 -20.504 -7.644 925 2HD LYS 124 1HD LYS 124 12.997 -19.595 -6.884 926 1HE LYS 124 2HE LYS 124 13.513 -21.720 -5.581 927 2HE LYS 124 1HE LYS 124 12.434 -22.545 -6.703 928 1HZ LYS 124 1HZ LYS 124 13.842 -21.846 -8.534 929 2HZ LYS 124 2HZ LYS 124 14.749 -22.710 -7.387 930 3HZ LYS 124 3HZ LYS 124 14.866 -21.020 -7.461 931 H LEU 125 H LEU 125 7.643 -19.256 -4.940 932 HA LEU 125 HA LEU 125 7.185 -22.019 -4.621 933 1HB LEU 125 2HB LEU 125 5.281 -19.741 -4.058 934 2HB LEU 125 1HB LEU 125 5.179 -21.358 -3.391 935 HG LEU 125 HG LEU 125 7.425 -19.412 -2.857 936 1HD1 LEU 125 1HD1 LEU 125 6.442 -19.144 -0.655 937 2HD1 LEU 125 2HD1 LEU 125 5.128 -20.239 -1.084 938 3HD1 LEU 125 3HD1 LEU 125 5.279 -18.682 -1.898 939 1HD2 LEU 125 1HD2 LEU 125 8.126 -21.743 -2.703 940 2HD2 LEU 125 2HD2 LEU 125 6.772 -22.091 -1.628 941 3HD2 LEU 125 3HD2 LEU 125 8.058 -21.003 -1.105 942 H ASN 126 H ASN 126 5.647 -19.596 -6.649 943 HA ASN 126 HA ASN 126 4.512 -19.715 -8.566 944 1HB ASN 126 2HB ASN 126 5.957 -21.515 -9.278 945 2HB ASN 126 1HB ASN 126 4.964 -22.696 -8.431 946 1HD2 ASN 126 1HD2 ASN 126 4.508 -23.831 -10.312 947 2HD2 ASN 126 2HD2 ASN 126 3.448 -23.210 -11.531 948 H TRP 127 H TRP 127 2.556 -19.218 -8.599 949 HA TRP 127 HA TRP 127 0.494 -21.049 -7.581 950 1HB TRP 127 2HB TRP 127 -0.742 -19.084 -6.683 951 2HB TRP 127 1HB TRP 127 0.806 -19.312 -5.873 952 HD1 TRP 127 HD TRP 127 2.857 -17.659 -6.841 953 HE1 TRP 127 1HE TRP 127 2.709 -15.204 -7.563 954 HE3 TRP 127 3HE TRP 127 -2.190 -17.325 -7.599 955 HZ2 TRP 127 2HZ TRP 127 0.726 -13.350 -8.338 956 HZ3 TRP 127 3HZ TRP 127 -3.130 -15.170 -8.326 957 HH2 TRP 127 HH TRP 127 -1.701 -13.225 -8.686 958 H VAL 128 H VAL 128 1.659 -20.366 -10.204 959 HA VAL 128 HA VAL 128 1.079 -19.889 -12.335 960 HB VAL 128 HB VAL 128 -1.750 -19.555 -11.311 961 1HG1 VAL 128 1HG1 VAL 128 -1.419 -18.436 -13.446 962 2HG1 VAL 128 2HG1 VAL 128 -2.411 -19.879 -13.653 963 3HG1 VAL 128 3HG1 VAL 128 -0.711 -19.903 -14.124 964 1HG2 VAL 128 1HG2 VAL 128 -0.895 -21.802 -10.897 965 2HG2 VAL 128 2HG2 VAL 128 -0.413 -21.943 -12.588 966 3HG2 VAL 128 3HG2 VAL 128 -2.121 -21.820 -12.166 967 HA PRO 129 HA PRO 129 1.555 -15.450 -11.370 968 1HB PRO 129 2HB PRO 129 3.490 -15.557 -13.564 969 2HB PRO 129 1HB PRO 129 3.741 -15.102 -11.877 970 1HG PRO 129 2HG PRO 129 4.728 -17.387 -12.919 971 2HG PRO 129 1HG PRO 129 4.212 -17.256 -11.229 972 1HD PRO 129 2HD PRO 129 2.764 -18.452 -13.564 973 2HD PRO 129 1HD PRO 129 2.905 -19.054 -11.897 974 H ASN 130 H ASN 130 1.302 -13.541 -12.730 975 HA ASN 130 HA ASN 130 -0.345 -14.163 -15.102 976 1HB ASN 130 2HB ASN 130 -0.717 -11.961 -13.058 977 2HB ASN 130 1HB ASN 130 -1.643 -12.098 -14.548 978 1HD2 ASN 130 1HD2 ASN 130 -1.079 -13.417 -11.389 979 2HD2 ASN 130 2HD2 ASN 130 -2.481 -14.425 -11.336 980 H MET 131 H MET 131 0.991 -11.209 -13.685 981 HA MET 131 HA MET 131 1.678 -9.310 -14.739 982 1HB MET 131 2HB MET 131 3.984 -9.539 -15.619 983 2HB MET 131 1HB MET 131 3.745 -10.272 -14.044 984 1HG MET 131 2HG MET 131 3.676 -12.475 -15.058 985 2HG MET 131 1HG MET 131 3.841 -11.757 -16.660 986 1HE MET 131 1HE MET 131 5.896 -13.317 -17.198 987 2HE MET 131 2HE MET 131 5.758 -14.070 -15.610 988 3HE MET 131 3HE MET 131 7.318 -13.466 -16.166 989 H ASP 132 H ASP 132 -0.128 -9.171 -16.160 990 HA ASP 132 HA ASP 132 0.191 -10.023 -18.903 991 1HB ASP 132 2HB ASP 132 -2.054 -9.965 -17.920 992 2HB ASP 132 1HB ASP 132 -1.894 -8.238 -17.621 993 H LEU 133 H LEU 133 1.704 -9.014 -20.036 994 HA LEU 133 HA LEU 133 2.426 -6.289 -19.547 995 1HB LEU 133 2HB LEU 133 4.056 -7.967 -20.320 996 2HB LEU 133 1HB LEU 133 3.180 -8.116 -21.831 997 HG LEU 133 HG LEU 133 3.704 -5.757 -22.351 998 1HD1 LEU 133 1HD1 LEU 133 3.925 -4.908 -20.083 999 2HD1 LEU 133 2HD1 LEU 133 5.379 -4.573 -21.021 1000 3HD1 LEU 133 3HD1 LEU 133 5.373 -5.886 -19.844 1001 1HD2 LEU 133 1HD2 LEU 133 6.099 -7.477 -21.725 1002 2HD2 LEU 133 2HD2 LEU 133 6.078 -6.098 -22.825 1003 3HD2 LEU 133 3HD2 LEU 133 5.128 -7.536 -23.196 1004 H VAL 134 H VAL 134 0.963 -4.784 -20.006 1005 HA VAL 134 HA VAL 134 -0.700 -4.963 -22.376 1006 HB VAL 134 HB VAL 134 -1.678 -2.837 -21.636 1007 1HG1 VAL 134 1HG1 VAL 134 -2.579 -4.901 -20.724 1008 2HG1 VAL 134 2HG1 VAL 134 -2.649 -3.614 -19.521 1009 3HG1 VAL 134 3HG1 VAL 134 -1.402 -4.856 -19.412 1010 1HG2 VAL 134 1HG2 VAL 134 -0.989 -1.815 -19.514 1011 2HG2 VAL 134 2HG2 VAL 134 0.309 -1.783 -20.708 1012 3HG2 VAL 134 3HG2 VAL 134 0.343 -2.965 -19.399 1013 H ILE 135 H ILE 135 2.384 -4.227 -21.900 1014 HA ILE 135 HA ILE 135 3.995 -3.311 -23.202 1015 HB ILE 135 HB ILE 135 1.726 -2.454 -25.007 1016 1HG1 ILE 135 2HG1 ILE 135 1.972 -4.893 -24.829 1017 2HG1 ILE 135 1HG1 ILE 135 2.446 -4.325 -26.426 1018 1HG2 ILE 135 1HG2 ILE 135 4.700 -2.430 -25.515 1019 2HG2 ILE 135 2HG2 ILE 135 3.670 -1.014 -25.300 1020 3HG2 ILE 135 3HG2 ILE 135 3.448 -2.061 -26.702 1021 1HD1 ILE 135 1HD1 ILE 135 4.324 -5.055 -24.187 1022 2HD1 ILE 135 2HD1 ILE 135 4.795 -4.495 -25.792 1023 3HD1 ILE 135 3HD1 ILE 135 3.960 -6.038 -25.607 1024 H GLY 136 H GLY 136 5.099 -1.592 -22.594 1025 1HA GLY 136 2HA GLY 136 3.759 0.655 -21.389 1026 2HA GLY 136 1HA GLY 136 5.497 0.445 -21.575 1027 H GLU 137 H GLU 137 5.795 2.587 -22.276 1028 HA GLU 137 HA GLU 137 5.330 2.895 -25.108 1029 1HB GLU 137 2HB GLU 137 3.247 3.744 -24.001 1030 2HB GLU 137 1HB GLU 137 4.227 4.989 -23.241 1031 1HG GLU 137 2HG GLU 137 4.647 6.063 -25.257 1032 2HG GLU 137 1HG GLU 137 4.205 4.647 -26.211 1033 H VAL 138 H VAL 138 6.972 3.854 -26.028 1034 HA VAL 138 HA VAL 138 9.070 4.997 -24.381 1035 HB VAL 138 HB VAL 138 8.936 4.439 -27.353 1036 1HG1 VAL 138 1HG1 VAL 138 11.358 4.821 -27.369 1037 2HG1 VAL 138 2HG1 VAL 138 11.288 5.317 -25.678 1038 3HG1 VAL 138 3HG1 VAL 138 10.472 6.275 -26.914 1039 1HG2 VAL 138 1HG2 VAL 138 10.349 2.991 -25.117 1040 2HG2 VAL 138 2HG2 VAL 138 10.470 2.598 -26.832 1041 3HG2 VAL 138 3HG2 VAL 138 8.928 2.424 -25.995 1042 H LEU 139 H LEU 139 9.573 7.109 -24.263 1043 HA LEU 139 HA LEU 139 8.116 8.943 -26.035 1044 1HB LEU 139 2HB LEU 139 8.337 10.674 -24.358 1045 2HB LEU 139 1HB LEU 139 7.541 9.274 -23.675 1046 HG LEU 139 HG LEU 139 10.471 9.848 -23.243 1047 1HD1 LEU 139 1HD1 LEU 139 9.831 10.790 -21.087 1048 2HD1 LEU 139 2HD1 LEU 139 8.128 10.612 -21.508 1049 3HD1 LEU 139 3HD1 LEU 139 9.148 11.727 -22.415 1050 1HD2 LEU 139 1HD2 LEU 139 10.203 8.361 -21.336 1051 2HD2 LEU 139 2HD2 LEU 139 9.735 7.543 -22.827 1052 3HD2 LEU 139 3HD2 LEU 139 8.496 8.145 -21.726 1053 H ALA 140 H ALA 140 9.332 9.717 -27.596 1054 HA ALA 140 HA ALA 140 12.226 9.976 -27.103 1055 1HB ALA 140 1HB ALA 140 12.615 9.335 -29.426 1056 2HB ALA 140 2HB ALA 140 10.880 9.135 -29.668 1057 3HB ALA 140 3HB ALA 140 11.744 8.071 -28.559 1058 H GLU 141 H GLU 141 13.314 11.591 -28.352 1059 HA GLU 141 HA GLU 141 11.605 13.603 -29.613 1060 1HB GLU 141 2HB GLU 141 12.038 14.170 -27.163 1061 2HB GLU 141 1HB GLU 141 13.726 14.373 -27.609 1062 1HG GLU 141 2HG GLU 141 13.098 16.123 -29.192 1063 2HG GLU 141 1HG GLU 141 11.407 15.922 -28.735 1064 H VAL 142 H VAL 142 12.960 15.222 -30.801 1065 HA VAL 142 HA VAL 142 15.094 13.834 -32.191 1066 HB VAL 142 HB VAL 142 15.015 15.948 -33.663 1067 1HG1 VAL 142 1HG1 VAL 142 14.091 13.795 -34.331 1068 2HG1 VAL 142 2HG1 VAL 142 13.046 15.112 -34.868 1069 3HG1 VAL 142 3HG1 VAL 142 12.601 14.149 -33.459 1070 1HG2 VAL 142 1HG2 VAL 142 13.829 17.393 -32.089 1071 2HG2 VAL 142 2HG2 VAL 142 12.439 16.308 -32.127 1072 3HG2 VAL 142 3HG2 VAL 142 12.903 17.198 -33.577 Start of MODEL 17 1 1H SER 1 1HT SER 1 -6.291 -16.592 -1.597 2 2H SER 1 2HT SER 1 -5.935 -14.940 -1.462 3 3H SER 1 3HT SER 1 -7.156 -15.460 -2.517 4 HA SER 1 HA SER 1 -8.520 -16.168 -0.736 5 1HB SER 1 2HB SER 1 -7.751 -15.692 1.619 6 2HB SER 1 1HB SER 1 -6.879 -16.990 0.804 7 HG SER 1 HG SER 1 -5.584 -15.379 1.975 8 HA PRO 2 HA PRO 2 -10.044 -12.030 -1.100 9 1HB PRO 2 2HB PRO 2 -12.046 -12.270 0.807 10 2HB PRO 2 1HB PRO 2 -12.193 -12.722 -0.893 11 1HG PRO 2 2HG PRO 2 -11.651 -14.434 1.488 12 2HG PRO 2 1HG PRO 2 -12.627 -14.783 0.050 13 1HD PRO 2 2HD PRO 2 -10.172 -15.818 0.378 14 2HD PRO 2 1HD PRO 2 -10.779 -15.343 -1.222 15 H GLU 3 H GLU 3 -9.089 -13.425 1.953 16 HA GLU 3 HA GLU 3 -9.127 -11.240 3.641 17 1HB GLU 3 2HB GLU 3 -6.982 -13.367 3.461 18 2HB GLU 3 1HB GLU 3 -7.169 -12.246 4.799 19 1HG GLU 3 2HG GLU 3 -8.153 -14.206 5.553 20 2HG GLU 3 1HG GLU 3 -9.518 -13.209 5.049 21 H ILE 4 H ILE 4 -6.103 -12.250 1.968 22 HA ILE 4 HA ILE 4 -5.001 -9.657 2.272 23 HB ILE 4 HB ILE 4 -3.691 -11.834 2.147 24 1HG1 ILE 4 2HG1 ILE 4 -1.772 -10.775 0.968 25 2HG1 ILE 4 1HG1 ILE 4 -2.860 -9.518 0.388 26 1HG2 ILE 4 1HG2 ILE 4 -4.708 -12.805 0.183 27 2HG2 ILE 4 2HG2 ILE 4 -2.983 -12.565 -0.094 28 3HG2 ILE 4 3HG2 ILE 4 -4.154 -11.453 -0.804 29 1HD1 ILE 4 1HD1 ILE 4 -3.324 -8.907 2.743 30 2HD1 ILE 4 2HD1 ILE 4 -1.637 -8.696 2.273 31 3HD1 ILE 4 3HD1 ILE 4 -2.115 -10.089 3.246 32 H MET 5 H MET 5 -7.137 -10.990 0.048 33 HA MET 5 HA MET 5 -6.404 -9.551 -2.295 34 1HB MET 5 2HB MET 5 -7.832 -11.660 -2.116 35 2HB MET 5 1HB MET 5 -9.137 -10.610 -1.586 36 1HG MET 5 2HG MET 5 -9.035 -9.384 -3.686 37 2HG MET 5 1HG MET 5 -7.719 -10.421 -4.234 38 1HE MET 5 1HE MET 5 -10.803 -11.505 -6.436 39 2HE MET 5 2HE MET 5 -9.154 -10.881 -6.458 40 3HE MET 5 3HE MET 5 -10.467 -9.884 -5.833 41 H LYS 6 H LYS 6 -8.353 -8.936 0.510 42 HA LYS 6 HA LYS 6 -9.583 -6.552 -0.542 43 1HB LYS 6 2HB LYS 6 -10.768 -7.913 1.102 44 2HB LYS 6 1HB LYS 6 -9.464 -7.691 2.259 45 1HG LYS 6 2HG LYS 6 -10.014 -5.151 1.919 46 2HG LYS 6 1HG LYS 6 -11.574 -5.784 1.385 47 1HD LYS 6 2HD LYS 6 -10.241 -6.401 4.021 48 2HD LYS 6 1HD LYS 6 -11.557 -5.252 3.786 49 1HE LYS 6 2HE LYS 6 -13.073 -6.979 3.189 50 2HE LYS 6 1HE LYS 6 -11.772 -8.161 3.050 51 1HZ LYS 6 1HZ LYS 6 -12.411 -6.807 5.605 52 2HZ LYS 6 2HZ LYS 6 -11.479 -8.205 5.361 53 3HZ LYS 6 3HZ LYS 6 -13.163 -8.252 5.135 54 H ASN 7 H ASN 7 -7.948 -5.113 -1.072 55 HA ASN 7 HA ASN 7 -5.830 -4.397 0.670 56 1HB ASN 7 2HB ASN 7 -5.821 -3.867 -1.754 57 2HB ASN 7 1HB ASN 7 -7.144 -2.735 -1.500 58 1HD2 ASN 7 1HD2 ASN 7 -3.757 -3.284 -1.220 59 2HD2 ASN 7 2HD2 ASN 7 -3.328 -1.689 -0.703 60 H LEU 8 H LEU 8 -5.829 -3.104 2.433 61 HA LEU 8 HA LEU 8 -8.187 -2.452 3.726 62 1HB LEU 8 2HB LEU 8 -5.373 -1.500 4.104 63 2HB LEU 8 1HB LEU 8 -6.677 -0.864 5.091 64 HG LEU 8 HG LEU 8 -5.781 -3.743 4.926 65 1HD1 LEU 8 1HD1 LEU 8 -4.275 -2.828 6.370 66 2HD1 LEU 8 2HD1 LEU 8 -5.593 -3.137 7.499 67 3HD1 LEU 8 3HD1 LEU 8 -5.356 -1.518 6.842 68 1HD2 LEU 8 1HD2 LEU 8 -8.207 -3.624 5.144 69 2HD2 LEU 8 2HD2 LEU 8 -8.038 -2.525 6.513 70 3HD2 LEU 8 3HD2 LEU 8 -7.465 -4.188 6.642 71 H SER 9 H SER 9 -6.115 -0.311 1.783 72 HA SER 9 HA SER 9 -7.604 2.030 2.336 73 1HB SER 9 2HB SER 9 -5.799 1.406 -0.014 74 2HB SER 9 1HB SER 9 -6.368 3.013 0.443 75 HG SER 9 HG SER 9 -4.268 1.641 1.391 76 H ASN 10 H ASN 10 -7.851 -0.443 -0.157 77 HA ASN 10 HA ASN 10 -9.836 0.873 -1.722 78 1HB ASN 10 2HB ASN 10 -8.513 -0.911 -2.703 79 2HB ASN 10 1HB ASN 10 -9.092 -2.053 -1.496 80 1HD2 ASN 10 1HD2 ASN 10 -9.816 -0.359 -4.426 81 2HD2 ASN 10 2HD2 ASN 10 -11.285 -1.205 -4.788 82 H ASN 11 H ASN 11 -9.900 -1.360 0.985 83 HA ASN 11 HA ASN 11 -12.692 -1.861 0.980 84 1HB ASN 11 2HB ASN 11 -11.157 -3.315 2.195 85 2HB ASN 11 1HB ASN 11 -10.662 -1.979 3.227 86 1HD2 ASN 11 1HD2 ASN 11 -11.278 -2.880 5.132 87 2HD2 ASN 11 2HD2 ASN 11 -12.923 -3.170 5.568 88 H PHE 12 H PHE 12 -10.720 0.190 3.109 89 HA PHE 12 HA PHE 12 -12.685 1.675 4.308 90 1HB PHE 12 2HB PHE 12 -9.881 2.324 3.523 91 2HB PHE 12 1HB PHE 12 -10.902 3.601 4.179 92 HD1 PHE 12 1HD PHE 12 -9.383 0.316 4.898 93 HD2 PHE 12 2HD PHE 12 -11.452 3.679 6.473 94 HE1 PHE 12 1HE PHE 12 -8.913 -0.471 7.180 95 HE2 PHE 12 2HE PHE 12 -10.985 2.901 8.757 96 HZ PHE 12 HZ PHE 12 -9.714 0.824 9.114 97 H GLY 13 H GLY 13 -10.910 3.181 1.525 98 1HA GLY 13 2HA GLY 13 -11.599 4.878 0.147 99 2HA GLY 13 1HA GLY 13 -13.090 3.960 0.034 100 H LYS 14 H LYS 14 -11.829 5.539 2.948 101 HA LYS 14 HA LYS 14 -14.375 6.852 3.307 102 1HB LYS 14 2HB LYS 14 -12.827 5.633 5.069 103 2HB LYS 14 1HB LYS 14 -12.052 7.206 5.163 104 1HG LYS 14 2HG LYS 14 -14.998 6.777 5.586 105 2HG LYS 14 1HG LYS 14 -13.809 6.764 6.886 106 1HD LYS 14 2HD LYS 14 -13.190 9.056 6.371 107 2HD LYS 14 1HD LYS 14 -14.312 9.073 5.009 108 1HE LYS 14 2HE LYS 14 -16.180 8.729 6.549 109 2HE LYS 14 1HE LYS 14 -15.058 8.713 7.909 110 1HZ LYS 14 1HZ LYS 14 -14.451 10.987 7.404 111 2HZ LYS 14 2HZ LYS 14 -16.128 10.867 7.640 112 3HZ LYS 14 3HZ LYS 14 -15.500 11.005 6.069 113 H ALA 15 H ALA 15 -11.036 7.678 2.598 114 HA ALA 15 HA ALA 15 -11.859 10.411 2.004 115 1HB ALA 15 1HB ALA 15 -10.004 11.378 3.247 116 2HB ALA 15 2HB ALA 15 -9.526 9.776 3.808 117 3HB ALA 15 3HB ALA 15 -11.066 10.468 4.321 118 H MET 16 H MET 16 -11.578 9.910 -0.140 119 HA MET 16 HA MET 16 -9.051 8.906 -1.133 120 1HB MET 16 2HB MET 16 -11.477 9.948 -2.607 121 2HB MET 16 1HB MET 16 -10.104 9.134 -3.345 122 1HG MET 16 2HG MET 16 -10.622 7.102 -2.132 123 2HG MET 16 1HG MET 16 -11.951 7.913 -1.309 124 1HE MET 16 1HE MET 16 -14.444 8.587 -4.252 125 2HE MET 16 2HE MET 16 -13.196 9.672 -3.643 126 3HE MET 16 3HE MET 16 -14.168 8.728 -2.516 127 H ASP 17 H ASP 17 -10.896 11.895 -1.156 128 HA ASP 17 HA ASP 17 -9.286 13.410 -2.874 129 1HB ASP 17 2HB ASP 17 -11.536 14.086 -2.354 130 2HB ASP 17 1HB ASP 17 -11.143 14.237 -0.645 131 H GLN 18 H GLN 18 -9.153 13.028 0.638 132 HA GLN 18 HA GLN 18 -7.156 15.142 0.743 133 1HB GLN 18 2HB GLN 18 -8.939 13.890 2.700 134 2HB GLN 18 1HB GLN 18 -7.327 14.238 3.318 135 1HG GLN 18 2HG GLN 18 -9.187 16.230 2.009 136 2HG GLN 18 1HG GLN 18 -8.845 16.095 3.736 137 1HE2 GLN 18 1HE2 GLN 18 -6.868 16.806 4.525 138 2HE2 GLN 18 2HE2 GLN 18 -5.797 17.789 3.589 139 H CYS 19 H CYS 19 -7.254 11.679 0.781 140 HA CYS 19 HA CYS 19 -4.534 11.442 1.664 141 1HB CYS 19 2HB CYS 19 -5.982 9.502 1.873 142 2HB CYS 19 1HB CYS 19 -6.288 9.499 0.145 143 H LYS 20 H LYS 20 -6.220 11.955 -1.354 144 HA LYS 20 HA LYS 20 -4.201 11.421 -3.190 145 1HB LYS 20 2HB LYS 20 -6.440 11.825 -3.943 146 2HB LYS 20 1HB LYS 20 -6.448 13.433 -3.242 147 1HG LYS 20 2HG LYS 20 -6.239 13.456 -5.691 148 2HG LYS 20 1HG LYS 20 -4.863 14.210 -4.886 149 1HD LYS 20 2HD LYS 20 -3.460 12.375 -5.338 150 2HD LYS 20 1HD LYS 20 -4.818 11.335 -5.763 151 1HE LYS 20 2HE LYS 20 -3.703 11.978 -7.784 152 2HE LYS 20 1HE LYS 20 -5.255 12.806 -7.722 153 1HZ LYS 20 1HZ LYS 20 -2.612 13.994 -7.063 154 2HZ LYS 20 2HZ LYS 20 -4.099 14.799 -6.937 155 3HZ LYS 20 3HZ LYS 20 -3.529 14.299 -8.457 156 H ASP 21 H ASP 21 -5.087 14.538 -1.705 157 HA ASP 21 HA ASP 21 -2.812 15.868 -2.823 158 1HB ASP 21 2HB ASP 21 -4.870 17.086 -2.327 159 2HB ASP 21 1HB ASP 21 -4.670 16.751 -0.610 160 H GLU 22 H GLU 22 -3.484 14.429 0.333 161 HA GLU 22 HA GLU 22 -1.331 15.721 1.663 162 1HB GLU 22 2HB GLU 22 -3.484 14.654 2.628 163 2HB GLU 22 1HB GLU 22 -2.557 13.166 2.621 164 1HG GLU 22 2HG GLU 22 -0.864 14.225 4.042 165 2HG GLU 22 1HG GLU 22 -1.838 15.694 4.066 166 H LEU 23 H LEU 23 -1.584 12.614 -0.035 167 HA LEU 23 HA LEU 23 1.021 11.752 0.895 168 1HB LEU 23 2HB LEU 23 -1.110 10.640 -0.867 169 2HB LEU 23 1HB LEU 23 0.521 10.040 -1.083 170 HG LEU 23 HG LEU 23 -1.135 8.790 0.495 171 1HD1 LEU 23 1HD1 LEU 23 1.174 8.129 0.204 172 2HD1 LEU 23 2HD1 LEU 23 0.757 8.086 1.919 173 3HD1 LEU 23 3HD1 LEU 23 1.706 9.426 1.277 174 1HD2 LEU 23 1HD2 LEU 23 -0.302 11.165 2.085 175 2HD2 LEU 23 2HD2 LEU 23 -0.639 9.628 2.889 176 3HD2 LEU 23 3HD2 LEU 23 -1.900 10.425 1.944 177 H SER 24 H SER 24 0.019 14.005 -1.172 178 HA SER 24 HA SER 24 0.925 15.208 -2.863 179 1HB SER 24 2HB SER 24 2.986 15.128 -1.480 180 2HB SER 24 1HB SER 24 3.435 13.609 -2.252 181 HG SER 24 HG SER 24 3.467 14.768 -4.258 182 H LEU 25 H LEU 25 -0.516 12.771 -3.327 183 HA LEU 25 HA LEU 25 0.967 11.100 -5.133 184 1HB LEU 25 2HB LEU 25 -1.986 11.271 -4.648 185 2HB LEU 25 1HB LEU 25 -1.220 10.056 -5.623 186 HG LEU 25 HG LEU 25 -0.509 10.302 -2.704 187 1HD1 LEU 25 1HD1 LEU 25 -2.301 9.113 -2.016 188 2HD1 LEU 25 2HD1 LEU 25 -2.584 8.393 -3.600 189 3HD1 LEU 25 3HD1 LEU 25 -3.062 10.064 -3.290 190 1HD2 LEU 25 1HD2 LEU 25 0.114 8.049 -2.927 191 2HD2 LEU 25 2HD2 LEU 25 0.852 8.930 -4.266 192 3HD2 LEU 25 3HD2 LEU 25 -0.583 7.940 -4.544 193 HA PRO 26 HA PRO 26 -0.027 13.600 -8.699 194 1HB PRO 26 2HB PRO 26 1.346 12.127 -10.504 195 2HB PRO 26 1HB PRO 26 2.147 13.254 -9.405 196 1HG PRO 26 2HG PRO 26 2.028 10.298 -9.325 197 2HG PRO 26 1HG PRO 26 3.292 11.392 -8.743 198 1HD PRO 26 2HD PRO 26 1.327 10.114 -7.176 199 2HD PRO 26 1HD PRO 26 2.400 11.415 -6.663 200 H ASP 27 H ASP 27 -1.437 13.270 -10.488 201 HA ASP 27 HA ASP 27 -3.456 11.422 -9.992 202 1HB ASP 27 2HB ASP 27 -2.803 13.059 -12.422 203 2HB ASP 27 1HB ASP 27 -4.175 11.953 -12.390 204 H SER 28 H SER 28 -0.595 11.175 -11.950 205 HA SER 28 HA SER 28 -1.305 8.916 -13.467 206 1HB SER 28 2HB SER 28 1.243 8.691 -13.652 207 2HB SER 28 1HB SER 28 0.527 10.201 -14.218 208 HG SER 28 HG SER 28 2.371 10.545 -12.879 209 H VAL 29 H VAL 29 0.615 9.182 -10.468 210 HA VAL 29 HA VAL 29 1.045 6.393 -10.250 211 HB VAL 29 HB VAL 29 1.314 8.548 -8.167 212 1HG1 VAL 29 1HG1 VAL 29 2.826 6.867 -7.093 213 2HG1 VAL 29 2HG1 VAL 29 2.159 5.658 -8.180 214 3HG1 VAL 29 3HG1 VAL 29 1.113 6.478 -7.019 215 1HG2 VAL 29 1HG2 VAL 29 3.360 7.206 -9.932 216 2HG2 VAL 29 2HG2 VAL 29 3.698 8.413 -8.695 217 3HG2 VAL 29 3HG2 VAL 29 2.759 8.852 -10.121 218 H VAL 30 H VAL 30 -1.176 8.583 -8.486 219 HA VAL 30 HA VAL 30 -2.234 6.569 -6.832 220 HB VAL 30 HB VAL 30 -2.463 9.041 -6.456 221 1HG1 VAL 30 1HG1 VAL 30 -4.948 8.962 -8.062 222 2HG1 VAL 30 2HG1 VAL 30 -3.422 9.325 -8.862 223 3HG1 VAL 30 3HG1 VAL 30 -3.996 10.348 -7.541 224 1HG2 VAL 30 1HG2 VAL 30 -3.650 7.415 -5.103 225 2HG2 VAL 30 2HG2 VAL 30 -4.965 7.377 -6.277 226 3HG2 VAL 30 3HG2 VAL 30 -4.642 8.850 -5.364 227 H ALA 31 H ALA 31 -3.064 7.590 -10.092 228 HA ALA 31 HA ALA 31 -5.469 6.064 -10.315 229 1HB ALA 31 1HB ALA 31 -3.598 6.972 -12.473 230 2HB ALA 31 2HB ALA 31 -4.888 7.968 -11.785 231 3HB ALA 31 3HB ALA 31 -5.287 6.497 -12.681 232 H ASP 32 H ASP 32 -2.112 5.568 -11.315 233 HA ASP 32 HA ASP 32 -2.481 3.108 -12.625 234 1HB ASP 32 2HB ASP 32 -0.470 4.539 -12.875 235 2HB ASP 32 1HB ASP 32 -0.015 4.173 -11.216 236 H LEU 33 H LEU 33 -1.638 3.969 -9.307 237 HA LEU 33 HA LEU 33 -1.464 1.453 -8.159 238 1HB LEU 33 2HB LEU 33 -1.134 3.671 -7.044 239 2HB LEU 33 1HB LEU 33 -2.877 3.855 -6.999 240 HG LEU 33 HG LEU 33 -2.930 1.698 -5.657 241 1HD1 LEU 33 1HD1 LEU 33 0.000 2.264 -5.787 242 2HD1 LEU 33 2HD1 LEU 33 -0.851 0.735 -6.041 243 3HD1 LEU 33 3HD1 LEU 33 -0.697 1.401 -4.412 244 1HD2 LEU 33 1HD2 LEU 33 -1.640 4.198 -4.586 245 2HD2 LEU 33 2HD2 LEU 33 -2.232 2.884 -3.568 246 3HD2 LEU 33 3HD2 LEU 33 -3.355 3.786 -4.585 247 H TYR 34 H TYR 34 -4.382 3.487 -8.372 248 HA TYR 34 HA TYR 34 -6.147 1.443 -7.562 249 1HB TYR 34 2HB TYR 34 -6.628 4.066 -8.947 250 2HB TYR 34 1HB TYR 34 -7.932 3.005 -8.417 251 HD1 TYR 34 1HD TYR 34 -6.359 2.076 -5.879 252 HD2 TYR 34 2HD TYR 34 -7.308 5.891 -7.500 253 HE1 TYR 34 1HE TYR 34 -6.243 3.051 -3.627 254 HE2 TYR 34 2HE TYR 34 -7.192 6.882 -5.249 255 HH TYR 34 HH TYR 34 -5.835 5.279 -2.610 256 H ASN 35 H ASN 35 -4.524 0.912 -10.318 257 HA ASN 35 HA ASN 35 -6.352 0.854 -12.410 258 1HB ASN 35 2HB ASN 35 -3.872 0.346 -12.538 259 2HB ASN 35 1HB ASN 35 -4.243 -1.255 -11.910 260 1HD2 ASN 35 1HD2 ASN 35 -3.038 -0.579 -14.426 261 2HD2 ASN 35 2HD2 ASN 35 -4.076 -1.206 -15.664 262 H PHE 36 H PHE 36 -8.117 -0.291 -12.805 263 HA PHE 36 HA PHE 36 -9.220 -1.951 -10.775 264 1HB PHE 36 2HB PHE 36 -10.599 -0.475 -12.181 265 2HB PHE 36 1HB PHE 36 -10.167 -1.416 -13.602 266 HD1 PHE 36 1HD PHE 36 -11.484 -3.212 -14.257 267 HD2 PHE 36 2HD PHE 36 -11.831 -1.699 -10.293 268 HE1 PHE 36 1HE PHE 36 -13.421 -4.675 -13.871 269 HE2 PHE 36 2HE PHE 36 -13.770 -3.163 -9.900 270 HZ PHE 36 HZ PHE 36 -14.566 -4.656 -11.692 271 H TRP 37 H TRP 37 -7.626 -2.525 -13.824 272 HA TRP 37 HA TRP 37 -8.182 -5.383 -13.712 273 1HB TRP 37 2HB TRP 37 -6.578 -3.770 -15.715 274 2HB TRP 37 1HB TRP 37 -7.017 -5.468 -15.875 275 HD1 TRP 37 HD TRP 37 -9.467 -6.029 -16.682 276 HE1 TRP 37 1HE TRP 37 -11.371 -4.597 -17.660 277 HE3 TRP 37 3HE TRP 37 -7.649 -1.386 -15.548 278 HZ2 TRP 37 2HZ TRP 37 -12.012 -1.861 -17.911 279 HZ3 TRP 37 3HZ TRP 37 -8.969 0.586 -16.192 280 HH2 TRP 37 HH TRP 37 -11.105 0.352 -17.349 281 H LYS 38 H LYS 38 -6.593 -6.939 -13.303 282 HA LYS 38 HA LYS 38 -4.376 -5.995 -11.761 283 1HB LYS 38 2HB LYS 38 -3.774 -8.399 -11.513 284 2HB LYS 38 1HB LYS 38 -5.396 -7.997 -10.980 285 1HG LYS 38 2HG LYS 38 -6.358 -9.011 -12.920 286 2HG LYS 38 1HG LYS 38 -4.764 -9.237 -13.650 287 1HD LYS 38 2HD LYS 38 -4.139 -10.792 -11.912 288 2HD LYS 38 1HD LYS 38 -5.649 -10.492 -11.053 289 1HE LYS 38 2HE LYS 38 -5.448 -11.678 -13.816 290 2HE LYS 38 1HE LYS 38 -5.646 -12.612 -12.333 291 1HZ LYS 38 1HZ LYS 38 -7.553 -10.664 -13.504 292 2HZ LYS 38 2HZ LYS 38 -7.722 -11.312 -11.947 293 3HZ LYS 38 3HZ LYS 38 -7.781 -12.334 -13.299 294 H ASP 39 H ASP 39 -3.505 -4.708 -13.499 295 HA ASP 39 HA ASP 39 -2.190 -5.433 -15.729 296 1HB ASP 39 2HB ASP 39 -2.126 -3.213 -14.419 297 2HB ASP 39 1HB ASP 39 -0.691 -3.870 -13.641 298 H ASP 40 H ASP 40 -0.823 -6.102 -12.447 299 HA ASP 40 HA ASP 40 0.655 -7.617 -11.717 300 1HB ASP 40 2HB ASP 40 0.252 -8.838 -14.452 301 2HB ASP 40 1HB ASP 40 1.294 -9.547 -13.221 302 H TYR 41 H TYR 41 1.336 -5.158 -12.930 303 HA TYR 41 HA TYR 41 3.851 -5.437 -14.261 304 1HB TYR 41 2HB TYR 41 4.032 -2.963 -13.742 305 2HB TYR 41 1HB TYR 41 2.639 -3.437 -14.700 306 HD1 TYR 41 1HD TYR 41 1.414 -1.417 -14.182 307 HD2 TYR 41 2HD TYR 41 2.712 -3.980 -11.048 308 HE1 TYR 41 1HE TYR 41 -0.073 -0.248 -12.611 309 HE2 TYR 41 2HE TYR 41 1.230 -2.821 -9.473 310 HH TYR 41 HH TYR 41 -1.082 -0.420 -10.538 311 H VAL 42 H VAL 42 5.792 -4.237 -13.251 312 HA VAL 42 HA VAL 42 6.176 -5.127 -10.502 313 HB VAL 42 HB VAL 42 8.125 -3.674 -12.312 314 1HG1 VAL 42 1HG1 VAL 42 8.664 -3.519 -9.939 315 2HG1 VAL 42 2HG1 VAL 42 9.827 -4.541 -10.783 316 3HG1 VAL 42 3HG1 VAL 42 8.565 -5.274 -9.791 317 1HG2 VAL 42 1HG2 VAL 42 7.456 -5.789 -13.327 318 2HG2 VAL 42 2HG2 VAL 42 7.844 -6.638 -11.829 319 3HG2 VAL 42 3HG2 VAL 42 9.126 -5.861 -12.760 320 H MET 43 H MET 43 5.921 -3.746 -8.817 321 HA MET 43 HA MET 43 4.911 -1.132 -9.296 322 1HB MET 43 2HB MET 43 4.199 -2.431 -7.349 323 2HB MET 43 1HB MET 43 5.838 -2.406 -6.717 324 1HG MET 43 2HG MET 43 5.742 -0.057 -6.347 325 2HG MET 43 1HG MET 43 4.206 0.070 -7.201 326 1HE MET 43 1HE MET 43 1.723 -1.700 -4.789 327 2HE MET 43 2HE MET 43 2.555 -2.380 -6.189 328 3HE MET 43 3HE MET 43 1.900 -0.745 -6.261 329 H THR 44 H THR 44 6.325 0.139 -10.326 330 HA THR 44 HA THR 44 9.097 0.212 -9.541 331 HB THR 44 HB THR 44 9.321 1.817 -11.446 332 HG1 THR 44 1HG THR 44 7.435 2.777 -11.841 333 1HG2 THR 44 1HG2 THR 44 9.495 -0.694 -11.676 334 2HG2 THR 44 2HG2 THR 44 9.082 0.173 -13.154 335 3HG2 THR 44 3HG2 THR 44 7.829 -0.676 -12.250 336 H ASP 45 H ASP 45 6.248 2.271 -9.323 337 HA ASP 45 HA ASP 45 7.824 4.487 -8.253 338 1HB ASP 45 2HB ASP 45 5.726 4.670 -9.791 339 2HB ASP 45 1HB ASP 45 4.832 4.439 -8.296 340 H ARG 46 H ARG 46 8.438 4.462 -6.332 341 HA ARG 46 HA ARG 46 7.624 2.973 -4.171 342 1HB ARG 46 2HB ARG 46 8.803 4.535 -2.780 343 2HB ARG 46 1HB ARG 46 9.688 4.351 -4.285 344 1HG ARG 46 2HG ARG 46 7.823 6.654 -3.687 345 2HG ARG 46 1HG ARG 46 9.567 6.681 -3.424 346 1HD ARG 46 2HD ARG 46 8.381 6.037 -6.096 347 2HD ARG 46 1HD ARG 46 8.660 7.690 -5.574 348 HE ARG 46 HE ARG 46 10.716 5.659 -6.102 349 1HH1 ARG 46 1HH1 ARG 46 9.816 8.973 -5.415 350 2HH1 ARG 46 2HH1 ARG 46 11.394 9.614 -5.747 351 1HH2 ARG 46 1HH2 ARG 46 12.799 6.496 -6.572 352 2HH2 ARG 46 2HH2 ARG 46 13.089 8.206 -6.418 353 H LEU 47 H LEU 47 6.244 6.005 -5.325 354 HA LEU 47 HA LEU 47 4.926 6.683 -2.941 355 1HB LEU 47 2HB LEU 47 5.589 8.372 -4.415 356 2HB LEU 47 1HB LEU 47 4.856 7.627 -5.804 357 HG LEU 47 HG LEU 47 2.659 8.213 -4.928 358 1HD1 LEU 47 1HD1 LEU 47 2.322 9.121 -2.922 359 2HD1 LEU 47 2HD1 LEU 47 3.841 9.996 -2.901 360 3HD1 LEU 47 3HD1 LEU 47 3.799 8.274 -2.503 361 1HD2 LEU 47 1HD2 LEU 47 4.049 9.665 -6.401 362 2HD2 LEU 47 2HD2 LEU 47 4.554 10.547 -4.951 363 3HD2 LEU 47 3HD2 LEU 47 2.855 10.532 -5.429 364 H ALA 48 H ALA 48 4.249 4.412 -5.378 365 HA ALA 48 HA ALA 48 1.399 4.332 -5.028 366 1HB ALA 48 1HB ALA 48 2.666 3.540 -7.076 367 2HB ALA 48 2HB ALA 48 1.445 2.435 -6.449 368 3HB ALA 48 3HB ALA 48 3.154 2.141 -6.122 369 H GLY 49 H GLY 49 4.042 2.065 -4.256 370 1HA GLY 49 2HA GLY 49 3.172 0.576 -2.227 371 2HA GLY 49 1HA GLY 49 4.714 1.397 -2.127 372 H CYS 50 H CYS 50 3.984 4.056 -1.639 373 HA CYS 50 HA CYS 50 3.389 4.018 1.093 374 1HB CYS 50 2HB CYS 50 2.944 6.398 -0.701 375 2HB CYS 50 1HB CYS 50 3.467 6.391 0.975 376 H ALA 51 H ALA 51 1.398 4.797 -1.741 377 HA ALA 51 HA ALA 51 -0.877 5.553 -0.208 378 1HB ALA 51 1HB ALA 51 -0.454 6.429 -2.446 379 2HB ALA 51 2HB ALA 51 -2.042 5.671 -2.329 380 3HB ALA 51 3HB ALA 51 -0.714 4.821 -3.121 381 H ILE 52 H ILE 52 0.370 2.495 -1.027 382 HA ILE 52 HA ILE 52 -1.956 0.941 -1.153 383 HB ILE 52 HB ILE 52 0.720 0.255 0.085 384 1HG1 ILE 52 2HG1 ILE 52 -0.484 -0.422 -2.608 385 2HG1 ILE 52 1HG1 ILE 52 0.796 0.753 -2.320 386 1HG2 ILE 52 1HG2 ILE 52 -1.571 -1.579 -0.616 387 2HG2 ILE 52 2HG2 ILE 52 -1.008 -1.189 1.010 388 3HG2 ILE 52 3HG2 ILE 52 0.033 -2.092 -0.092 389 1HD1 ILE 52 1HD1 ILE 52 2.265 -1.034 -1.548 390 2HD1 ILE 52 2HD1 ILE 52 1.685 -1.333 -3.187 391 3HD1 ILE 52 3HD1 ILE 52 0.982 -2.211 -1.828 392 H ASN 53 H ASN 53 -0.204 2.295 1.586 393 HA ASN 53 HA ASN 53 -2.514 1.620 3.268 394 1HB ASN 53 2HB ASN 53 -0.803 1.519 5.209 395 2HB ASN 53 1HB ASN 53 -0.967 0.129 4.153 396 1HD2 ASN 53 1HD2 ASN 53 0.789 3.108 3.383 397 2HD2 ASN 53 2HD2 ASN 53 2.347 2.360 3.318 398 H CYS 54 H CYS 54 -3.366 3.654 2.855 399 HA CYS 54 HA CYS 54 -1.847 5.886 4.038 400 1HB CYS 54 2HB CYS 54 -2.114 6.349 1.740 401 2HB CYS 54 1HB CYS 54 -3.778 5.780 1.732 402 H LEU 55 H LEU 55 -5.141 4.576 3.624 403 HA LEU 55 HA LEU 55 -6.285 6.610 5.279 404 1HB LEU 55 2HB LEU 55 -7.406 4.097 4.060 405 2HB LEU 55 1HB LEU 55 -8.358 5.129 5.107 406 HG LEU 55 HG LEU 55 -7.893 7.021 3.482 407 1HD1 LEU 55 1HD1 LEU 55 -5.965 6.054 2.345 408 2HD1 LEU 55 2HD1 LEU 55 -7.263 6.408 1.205 409 3HD1 LEU 55 3HD1 LEU 55 -6.975 4.747 1.727 410 1HD2 LEU 55 1HD2 LEU 55 -10.026 5.844 3.577 411 2HD2 LEU 55 2HD2 LEU 55 -9.408 4.628 2.460 412 3HD2 LEU 55 3HD2 LEU 55 -9.614 6.294 1.922 413 H ALA 56 H ALA 56 -5.638 3.154 5.714 414 HA ALA 56 HA ALA 56 -6.761 3.181 8.372 415 1HB ALA 56 1HB ALA 56 -6.987 1.208 6.934 416 2HB ALA 56 2HB ALA 56 -6.136 0.822 8.429 417 3HB ALA 56 3HB ALA 56 -5.233 1.015 6.926 418 H THR 57 H THR 57 -3.763 3.787 6.923 419 HA THR 57 HA THR 57 -2.176 3.313 9.266 420 HB THR 57 HB THR 57 -1.572 4.686 6.649 421 HG1 THR 57 1HG THR 57 -0.830 2.178 7.758 422 1HG2 THR 57 1HG2 THR 57 0.176 4.231 9.034 423 2HG2 THR 57 2HG2 THR 57 -0.117 5.742 8.176 424 3HG2 THR 57 3HG2 THR 57 0.830 4.461 7.417 425 H LYS 58 H LYS 58 -3.755 6.080 7.709 426 HA LYS 58 HA LYS 58 -2.710 7.992 9.530 427 1HB LYS 58 2HB LYS 58 -5.034 8.023 7.626 428 2HB LYS 58 1HB LYS 58 -4.669 9.390 8.675 429 1HG LYS 58 2HG LYS 58 -2.449 9.565 7.687 430 2HG LYS 58 1HG LYS 58 -2.803 8.189 6.641 431 1HD LYS 58 2HD LYS 58 -3.075 10.382 5.518 432 2HD LYS 58 1HD LYS 58 -4.549 9.412 5.535 433 1HE LYS 58 2HE LYS 58 -5.493 10.720 7.275 434 2HE LYS 58 1HE LYS 58 -3.960 11.536 7.584 435 1HZ LYS 58 1HZ LYS 58 -4.099 12.619 5.478 436 2HZ LYS 58 2HZ LYS 58 -5.543 12.901 6.317 437 3HZ LYS 58 3HZ LYS 58 -5.501 11.765 5.063 438 H LEU 59 H LEU 59 -5.377 5.747 9.712 439 HA LEU 59 HA LEU 59 -6.831 6.981 11.770 440 1HB LEU 59 2HB LEU 59 -6.435 4.064 11.174 441 2HB LEU 59 1HB LEU 59 -7.598 4.689 12.327 442 HG LEU 59 HG LEU 59 -7.643 4.811 9.344 443 1HD1 LEU 59 1HD1 LEU 59 -9.633 4.220 11.507 444 2HD1 LEU 59 2HD1 LEU 59 -8.845 3.049 10.448 445 3HD1 LEU 59 3HD1 LEU 59 -10.001 4.206 9.783 446 1HD2 LEU 59 1HD2 LEU 59 -9.375 6.533 9.420 447 2HD2 LEU 59 2HD2 LEU 59 -7.845 7.153 10.040 448 3HD2 LEU 59 3HD2 LEU 59 -9.135 6.710 11.159 449 H ASP 60 H ASP 60 -4.494 4.286 12.123 450 HA ASP 60 HA ASP 60 -3.090 5.424 14.276 451 1HB ASP 60 2HB ASP 60 -5.294 5.032 15.438 452 2HB ASP 60 1HB ASP 60 -5.064 3.307 15.161 453 H VAL 61 H VAL 61 -1.173 4.460 14.124 454 HA VAL 61 HA VAL 61 -0.832 1.637 14.006 455 HB VAL 61 HB VAL 61 -1.710 2.127 11.716 456 1HG1 VAL 61 1HG1 VAL 61 -0.755 4.331 11.422 457 2HG1 VAL 61 2HG1 VAL 61 -0.253 3.259 10.115 458 3HG1 VAL 61 3HG1 VAL 61 0.871 3.646 11.418 459 1HG2 VAL 61 1HG2 VAL 61 1.140 1.180 11.678 460 2HG2 VAL 61 2HG2 VAL 61 -0.131 0.785 10.519 461 3HG2 VAL 61 3HG2 VAL 61 -0.231 0.189 12.177 462 H VAL 62 H VAL 62 0.267 3.922 15.485 463 HA VAL 62 HA VAL 62 3.000 3.940 14.426 464 HB VAL 62 HB VAL 62 3.382 6.070 15.180 465 1HG1 VAL 62 1HG1 VAL 62 1.527 7.470 14.500 466 2HG1 VAL 62 2HG1 VAL 62 0.448 6.078 14.577 467 3HG1 VAL 62 3HG1 VAL 62 1.763 6.110 13.402 468 1HG2 VAL 62 1HG2 VAL 62 1.105 5.802 17.124 469 2HG2 VAL 62 2HG2 VAL 62 2.010 7.285 16.848 470 3HG2 VAL 62 3HG2 VAL 62 2.822 5.865 17.505 471 H ASP 63 H ASP 63 4.465 2.787 15.441 472 HA ASP 63 HA ASP 63 4.014 1.616 17.990 473 1HB ASP 63 2HB ASP 63 5.533 0.915 15.872 474 2HB ASP 63 1HB ASP 63 6.764 1.659 16.884 475 HA PRO 64 HA PRO 64 7.272 4.553 19.679 476 1HB PRO 64 2HB PRO 64 8.815 6.012 17.921 477 2HB PRO 64 1HB PRO 64 9.133 4.338 18.377 478 1HG PRO 64 2HG PRO 64 8.379 5.324 15.810 479 2HG PRO 64 1HG PRO 64 8.602 3.635 16.293 480 1HD PRO 64 2HD PRO 64 6.100 5.243 16.124 481 2HD PRO 64 1HD PRO 64 6.345 3.511 15.840 482 H ASP 65 H ASP 65 8.329 7.153 18.578 483 HA ASP 65 HA ASP 65 6.456 8.832 19.917 484 1HB ASP 65 2HB ASP 65 8.944 9.074 19.973 485 2HB ASP 65 1HB ASP 65 8.894 9.593 18.298 486 H GLY 66 H GLY 66 5.872 7.604 17.071 487 1HA GLY 66 2HA GLY 66 4.115 8.876 15.763 488 2HA GLY 66 1HA GLY 66 5.305 10.160 15.709 489 H ASN 67 H ASN 67 7.474 9.453 14.887 490 HA ASN 67 HA ASN 67 7.082 8.403 12.227 491 1HB ASN 67 2HB ASN 67 9.524 9.032 11.998 492 2HB ASN 67 1HB ASN 67 8.445 10.359 12.424 493 1HD2 ASN 67 1HD2 ASN 67 11.023 8.302 13.513 494 2HD2 ASN 67 2HD2 ASN 67 11.360 9.155 14.982 495 H LEU 68 H LEU 68 8.278 6.692 11.300 496 HA LEU 68 HA LEU 68 9.449 4.759 11.149 497 1HB LEU 68 2HB LEU 68 10.539 5.807 13.726 498 2HB LEU 68 1HB LEU 68 10.899 4.159 13.260 499 HG LEU 68 HG LEU 68 12.692 5.754 12.668 500 1HD1 LEU 68 1HD1 LEU 68 11.401 4.598 10.205 501 2HD1 LEU 68 2HD1 LEU 68 12.298 3.651 11.389 502 3HD1 LEU 68 3HD1 LEU 68 13.111 4.921 10.474 503 1HD2 LEU 68 1HD2 LEU 68 10.642 6.915 10.791 504 2HD2 LEU 68 2HD2 LEU 68 12.359 7.314 10.815 505 3HD2 LEU 68 3HD2 LEU 68 11.342 7.713 12.199 506 H HIS 69 H HIS 69 6.794 4.747 12.007 507 HA HIS 69 HA HIS 69 6.484 2.835 14.104 508 1HB HIS 69 2HB HIS 69 4.082 2.741 13.255 509 2HB HIS 69 1HB HIS 69 4.651 4.289 13.858 510 HD1 HIS 69 1HD HIS 69 3.762 2.541 10.632 511 HD2 HIS 69 2HD HIS 69 4.590 6.359 12.038 512 HE1 HIS 69 1HE HIS 69 3.115 4.100 8.770 513 HE2 HIS 69 2HE HIS 69 3.395 6.408 9.749 514 H HIS 70 H HIS 70 7.874 1.194 13.437 515 HA HIS 70 HA HIS 70 7.345 -0.232 10.968 516 1HB HIS 70 2HB HIS 70 9.628 -0.002 11.391 517 2HB HIS 70 1HB HIS 70 9.446 -0.321 13.107 518 HD1 HIS 70 1HD HIS 70 9.404 -2.186 9.796 519 HD2 HIS 70 2HD HIS 70 10.044 -2.833 13.849 520 HE1 HIS 70 1HE HIS 70 10.178 -4.570 9.981 521 HE2 HIS 70 2HE HIS 70 10.781 -4.859 12.415 522 H GLY 71 H GLY 71 7.569 -1.195 14.405 523 1HA GLY 71 2HA GLY 71 6.642 -3.826 14.018 524 2HA GLY 71 1HA GLY 71 6.642 -2.962 15.548 525 H ASN 72 H ASN 72 4.889 -1.089 15.403 526 HA ASN 72 HA ASN 72 2.418 -2.310 15.634 527 1HB ASN 72 2HB ASN 72 3.173 -0.028 16.516 528 2HB ASN 72 1HB ASN 72 2.724 0.617 14.946 529 1HD2 ASN 72 1HD2 ASN 72 1.644 1.238 17.548 530 2HD2 ASN 72 2HD2 ASN 72 -0.047 0.872 17.486 531 H ALA 73 H ALA 73 3.942 -1.068 12.717 532 HA ALA 73 HA ALA 73 1.493 -0.789 11.250 533 1HB ALA 73 1HB ALA 73 3.477 0.531 10.675 534 2HB ALA 73 2HB ALA 73 2.904 -0.422 9.307 535 3HB ALA 73 3HB ALA 73 4.321 -0.949 10.215 536 H LYS 74 H LYS 74 3.936 -3.282 11.627 537 HA LYS 74 HA LYS 74 2.772 -4.906 9.551 538 1HB LYS 74 2HB LYS 74 4.747 -5.746 11.667 539 2HB LYS 74 1HB LYS 74 4.386 -6.584 10.164 540 1HG LYS 74 2HG LYS 74 5.932 -4.062 10.596 541 2HG LYS 74 1HG LYS 74 6.374 -5.517 9.716 542 1HD LYS 74 2HD LYS 74 4.265 -3.560 8.831 543 2HD LYS 74 1HD LYS 74 5.926 -3.580 8.241 544 1HE LYS 74 2HE LYS 74 5.557 -5.888 7.421 545 2HE LYS 74 1HE LYS 74 3.873 -5.768 7.932 546 1HZ LYS 74 1HZ LYS 74 3.593 -3.902 6.407 547 2HZ LYS 74 2HZ LYS 74 4.101 -5.287 5.582 548 3HZ LYS 74 3HZ LYS 74 5.206 -4.044 5.904 549 H ASP 75 H ASP 75 2.793 -4.811 13.067 550 HA ASP 75 HA ASP 75 1.148 -7.025 13.575 551 1HB ASP 75 2HB ASP 75 2.356 -5.919 15.363 552 2HB ASP 75 1HB ASP 75 1.484 -4.417 15.083 553 H PHE 76 H PHE 76 0.416 -3.655 12.856 554 HA PHE 76 HA PHE 76 -2.338 -3.648 13.190 555 1HB PHE 76 2HB PHE 76 -1.116 -1.603 12.811 556 2HB PHE 76 1HB PHE 76 -0.617 -2.147 11.214 557 HD1 PHE 76 1HD PHE 76 -3.775 -1.665 13.118 558 HD2 PHE 76 2HD PHE 76 -1.713 -1.235 9.438 559 HE1 PHE 76 1HE PHE 76 -5.751 -0.561 12.156 560 HE2 PHE 76 2HE PHE 76 -3.684 -0.140 8.453 561 HZ PHE 76 HZ PHE 76 -5.706 0.203 9.817 562 H ALA 77 H ALA 77 -0.412 -4.572 10.352 563 HA ALA 77 HA ALA 77 -2.691 -5.021 8.721 564 1HB ALA 77 1HB ALA 77 -0.155 -6.487 8.182 565 2HB ALA 77 2HB ALA 77 -0.152 -4.725 8.089 566 3HB ALA 77 3HB ALA 77 -1.243 -5.658 7.065 567 H MET 78 H MET 78 -1.021 -6.956 11.080 568 HA MET 78 HA MET 78 -2.006 -9.485 10.241 569 1HB MET 78 2HB MET 78 -1.299 -8.668 13.064 570 2HB MET 78 1HB MET 78 -1.377 -10.304 12.432 571 1HG MET 78 2HG MET 78 0.515 -9.847 10.976 572 2HG MET 78 1HG MET 78 0.587 -8.192 11.579 573 1HE MET 78 1HE MET 78 3.222 -9.667 11.646 574 2HE MET 78 2HE MET 78 3.767 -9.463 13.311 575 3HE MET 78 3HE MET 78 2.990 -8.123 12.466 576 H LYS 79 H LYS 79 -3.312 -7.041 12.492 577 HA LYS 79 HA LYS 79 -5.641 -8.767 12.830 578 1HB LYS 79 2HB LYS 79 -6.462 -6.934 14.382 579 2HB LYS 79 1HB LYS 79 -5.049 -7.840 14.895 580 1HG LYS 79 2HG LYS 79 -4.420 -5.410 13.402 581 2HG LYS 79 1HG LYS 79 -5.285 -5.131 14.915 582 1HD LYS 79 2HD LYS 79 -2.778 -6.779 14.623 583 2HD LYS 79 1HD LYS 79 -2.836 -5.110 15.194 584 1HE LYS 79 2HE LYS 79 -4.154 -5.761 17.104 585 2HE LYS 79 1HE LYS 79 -4.269 -7.416 16.505 586 1HZ LYS 79 1HZ LYS 79 -2.560 -7.005 18.278 587 2HZ LYS 79 2HZ LYS 79 -1.679 -6.117 17.128 588 3HZ LYS 79 3HZ LYS 79 -1.986 -7.761 16.877 589 H HIS 80 H HIS 80 -4.659 -6.384 10.686 590 HA HIS 80 HA HIS 80 -7.461 -6.096 9.832 591 1HB HIS 80 2HB HIS 80 -5.436 -3.848 9.720 592 2HB HIS 80 1HB HIS 80 -7.111 -3.775 9.189 593 HD1 HIS 80 1HD HIS 80 -8.830 -3.113 10.919 594 HD2 HIS 80 2HD HIS 80 -5.117 -4.016 12.561 595 HE1 HIS 80 1HE HIS 80 -8.980 -2.472 13.353 596 HE2 HIS 80 2HE HIS 80 -6.701 -2.993 14.318 597 H GLY 81 H GLY 81 -7.008 -7.782 8.308 598 1HA GLY 81 2HA GLY 81 -7.093 -7.430 5.830 599 2HA GLY 81 1HA GLY 81 -5.490 -6.735 6.004 600 H ALA 82 H ALA 82 -3.912 -8.288 7.185 601 HA ALA 82 HA ALA 82 -4.033 -10.748 5.606 602 1HB ALA 82 1HB ALA 82 -1.619 -9.693 7.060 603 2HB ALA 82 2HB ALA 82 -2.074 -9.148 5.443 604 3HB ALA 82 3HB ALA 82 -1.680 -10.843 5.723 605 H ASP 83 H ASP 83 -3.653 -12.774 6.480 606 HA ASP 83 HA ASP 83 -4.262 -13.139 9.255 607 1HB ASP 83 2HB ASP 83 -3.156 -15.203 7.341 608 2HB ASP 83 1HB ASP 83 -4.039 -15.486 8.834 609 H GLU 84 H GLU 84 -2.737 -14.177 10.815 610 HA GLU 84 HA GLU 84 -0.461 -12.534 10.695 611 1HB GLU 84 2HB GLU 84 -0.179 -12.967 12.946 612 2HB GLU 84 1HB GLU 84 -1.897 -13.215 12.715 613 1HG GLU 84 2HG GLU 84 -1.824 -15.335 13.329 614 2HG GLU 84 1HG GLU 84 -0.325 -15.654 12.435 615 H THR 85 H THR 85 -1.079 -15.927 10.296 616 HA THR 85 HA THR 85 1.491 -16.918 10.165 617 HB THR 85 HB THR 85 -0.949 -18.011 9.901 618 HG1 THR 85 1HG THR 85 1.202 -18.991 10.336 619 1HG2 THR 85 1HG2 THR 85 -1.316 -17.307 7.593 620 2HG2 THR 85 2HG2 THR 85 -1.119 -19.056 7.661 621 3HG2 THR 85 3HG2 THR 85 0.211 -18.041 7.107 622 H MET 86 H MET 86 -0.231 -14.851 7.890 623 HA MET 86 HA MET 86 1.625 -15.514 5.737 624 1HB MET 86 2HB MET 86 -0.471 -13.357 5.624 625 2HB MET 86 1HB MET 86 0.250 -14.258 4.301 626 1HG MET 86 2HG MET 86 -0.868 -16.307 5.290 627 2HG MET 86 1HG MET 86 -1.794 -15.170 6.273 628 1HE MET 86 1HE MET 86 -3.325 -13.204 5.145 629 2HE MET 86 2HE MET 86 -3.545 -13.048 3.402 630 3HE MET 86 3HE MET 86 -1.968 -12.728 4.124 631 H ALA 87 H ALA 87 0.668 -12.794 7.745 632 HA ALA 87 HA ALA 87 2.643 -10.979 7.013 633 1HB ALA 87 1HB ALA 87 1.075 -11.485 9.504 634 2HB ALA 87 2HB ALA 87 1.022 -10.105 8.402 635 3HB ALA 87 3HB ALA 87 2.376 -10.289 9.518 636 H GLN 88 H GLN 88 2.757 -13.735 9.204 637 HA GLN 88 HA GLN 88 5.323 -13.109 10.306 638 1HB GLN 88 2HB GLN 88 3.302 -15.223 10.621 639 2HB GLN 88 1HB GLN 88 4.955 -15.754 10.878 640 1HG GLN 88 2HG GLN 88 3.653 -14.994 12.913 641 2HG GLN 88 1HG GLN 88 5.258 -14.304 12.691 642 1HE2 GLN 88 1HE2 GLN 88 1.817 -13.670 12.703 643 2HE2 GLN 88 2HE2 GLN 88 1.964 -11.941 12.633 644 H GLN 89 H GLN 89 4.218 -15.075 7.590 645 HA GLN 89 HA GLN 89 6.875 -16.106 7.161 646 1HB GLN 89 2HB GLN 89 6.034 -17.052 5.098 647 2HB GLN 89 1HB GLN 89 4.888 -17.364 6.390 648 1HG GLN 89 2HG GLN 89 3.498 -15.508 5.578 649 2HG GLN 89 1HG GLN 89 4.639 -15.257 4.256 650 1HE2 GLN 89 1HE2 GLN 89 1.821 -15.929 4.140 651 2HE2 GLN 89 2HE2 GLN 89 1.701 -17.419 3.277 652 H LEU 90 H LEU 90 5.135 -13.257 6.410 653 HA LEU 90 HA LEU 90 6.818 -12.461 4.208 654 1HB LEU 90 2HB LEU 90 4.284 -11.847 4.914 655 2HB LEU 90 1HB LEU 90 5.124 -10.462 5.578 656 HG LEU 90 HG LEU 90 5.269 -11.331 2.688 657 1HD1 LEU 90 1HD1 LEU 90 3.034 -10.576 3.254 658 2HD1 LEU 90 2HD1 LEU 90 3.852 -9.380 2.249 659 3HD1 LEU 90 3HD1 LEU 90 3.694 -9.112 3.984 660 1HD2 LEU 90 1HD2 LEU 90 6.223 -8.811 4.044 661 2HD2 LEU 90 2HD2 LEU 90 6.292 -9.151 2.315 662 3HD2 LEU 90 3HD2 LEU 90 7.252 -10.111 3.441 663 H VAL 91 H VAL 91 6.434 -11.614 7.634 664 HA VAL 91 HA VAL 91 8.098 -9.374 7.733 665 HB VAL 91 HB VAL 91 8.395 -9.892 10.151 666 1HG1 VAL 91 1HG1 VAL 91 5.973 -9.746 10.745 667 2HG1 VAL 91 2HG1 VAL 91 5.607 -10.002 9.038 668 3HG1 VAL 91 3HG1 VAL 91 6.509 -8.572 9.541 669 1HG2 VAL 91 1HG2 VAL 91 7.147 -12.437 9.313 670 2HG2 VAL 91 2HG2 VAL 91 6.825 -11.813 10.929 671 3HG2 VAL 91 3HG2 VAL 91 8.483 -12.152 10.426 672 H ASP 92 H ASP 92 8.903 -12.763 7.797 673 HA ASP 92 HA ASP 92 11.558 -12.592 8.664 674 1HB ASP 92 2HB ASP 92 10.862 -14.757 8.677 675 2HB ASP 92 1HB ASP 92 9.865 -14.564 7.241 676 H ILE 93 H ILE 93 10.157 -12.521 5.402 677 HA ILE 93 HA ILE 93 12.581 -12.038 4.041 678 HB ILE 93 HB ILE 93 9.712 -11.578 3.345 679 1HG1 ILE 93 2HG1 ILE 93 10.341 -13.821 3.052 680 2HG1 ILE 93 1HG1 ILE 93 10.456 -13.112 1.447 681 1HG2 ILE 93 1HG2 ILE 93 11.029 -9.679 2.438 682 2HG2 ILE 93 2HG2 ILE 93 10.260 -10.683 1.207 683 3HG2 ILE 93 3HG2 ILE 93 11.987 -10.849 1.524 684 1HD1 ILE 93 1HD1 ILE 93 12.762 -13.602 3.301 685 2HD1 ILE 93 2HD1 ILE 93 12.859 -12.906 1.684 686 3HD1 ILE 93 3HD1 ILE 93 12.331 -14.575 1.894 687 H ILE 94 H ILE 94 10.095 -9.895 5.361 688 HA ILE 94 HA ILE 94 11.018 -7.448 4.460 689 HB ILE 94 HB ILE 94 9.831 -8.008 7.182 690 1HG1 ILE 94 2HG1 ILE 94 8.532 -7.251 4.557 691 2HG1 ILE 94 1HG1 ILE 94 8.406 -8.804 5.378 692 1HG2 ILE 94 1HG2 ILE 94 9.141 -5.644 7.119 693 2HG2 ILE 94 2HG2 ILE 94 10.036 -5.437 5.613 694 3HG2 ILE 94 3HG2 ILE 94 10.895 -5.827 7.103 695 1HD1 ILE 94 1HD1 ILE 94 7.435 -6.203 6.504 696 2HD1 ILE 94 2HD1 ILE 94 7.192 -7.812 7.185 697 3HD1 ILE 94 3HD1 ILE 94 6.423 -7.372 5.658 698 H HIS 95 H HIS 95 11.988 -9.223 7.372 699 HA HIS 95 HA HIS 95 13.750 -7.157 8.264 700 1HB HIS 95 2HB HIS 95 13.743 -10.080 9.062 701 2HB HIS 95 1HB HIS 95 14.576 -8.785 9.901 702 HD1 HIS 95 1HD HIS 95 12.537 -10.551 11.346 703 HD2 HIS 95 2HD HIS 95 11.590 -6.923 9.537 704 HE1 HIS 95 1HE HIS 95 10.476 -9.721 12.524 705 HE2 HIS 95 2HE HIS 95 10.073 -7.423 11.584 706 H GLY 96 H GLY 96 14.105 -9.990 6.224 707 1HA GLY 96 2HA GLY 96 16.988 -9.959 6.405 708 2HA GLY 96 1HA GLY 96 16.011 -11.035 5.419 709 H CYS 97 H CYS 97 14.632 -9.397 3.776 710 HA CYS 97 HA CYS 97 16.705 -8.638 2.014 711 1HB CYS 97 2HB CYS 97 13.747 -8.783 1.792 712 2HB CYS 97 1HB CYS 97 14.610 -7.760 0.642 713 H GLU 98 H GLU 98 14.500 -6.747 4.104 714 HA GLU 98 HA GLU 98 15.334 -4.242 3.079 715 1HB GLU 98 2HB GLU 98 13.360 -4.628 4.601 716 2HB GLU 98 1HB GLU 98 14.498 -4.798 5.930 717 1HG GLU 98 2HG GLU 98 15.305 -2.508 5.479 718 2HG GLU 98 1HG GLU 98 14.068 -2.352 4.232 719 H LYS 99 H LYS 99 16.662 -6.348 5.628 720 HA LYS 99 HA LYS 99 18.696 -4.567 6.448 721 1HB LYS 99 2HB LYS 99 18.135 -6.474 7.820 722 2HB LYS 99 1HB LYS 99 18.556 -7.586 6.525 723 1HG LYS 99 2HG LYS 99 20.320 -7.598 8.129 724 2HG LYS 99 1HG LYS 99 20.896 -6.789 6.672 725 1HD LYS 99 2HD LYS 99 21.665 -5.415 8.386 726 2HD LYS 99 1HD LYS 99 20.186 -4.615 7.854 727 1HE LYS 99 2HE LYS 99 20.239 -4.646 10.259 728 2HE LYS 99 1HE LYS 99 18.971 -5.737 9.701 729 1HZ LYS 99 1HZ LYS 99 20.397 -6.625 11.526 730 2HZ LYS 99 2HZ LYS 99 21.699 -6.646 10.435 731 3HZ LYS 99 3HZ LYS 99 20.336 -7.610 10.146 732 H SER 100 H SER 100 18.583 -7.081 3.963 733 HA SER 100 HA SER 100 21.342 -6.481 3.214 734 1HB SER 100 2HB SER 100 20.517 -8.855 3.528 735 2HB SER 100 1HB SER 100 19.549 -8.634 2.071 736 HG SER 100 HG SER 100 21.298 -9.241 1.077 737 H ALA 101 H ALA 101 18.780 -4.855 2.617 738 HA ALA 101 HA ALA 101 18.530 -4.883 -0.225 739 1HB ALA 101 1HB ALA 101 17.724 -2.780 1.790 740 2HB ALA 101 2HB ALA 101 16.699 -4.067 1.147 741 3HB ALA 101 3HB ALA 101 17.272 -2.778 0.085 742 HA PRO 102 HA PRO 102 21.997 -2.519 -1.615 743 1HB PRO 102 2HB PRO 102 20.003 -0.869 -3.098 744 2HB PRO 102 1HB PRO 102 21.446 -1.693 -3.696 745 1HG PRO 102 2HG PRO 102 19.028 -2.685 -4.174 746 2HG PRO 102 1HG PRO 102 20.391 -3.755 -3.794 747 1HD PRO 102 2HD PRO 102 18.108 -2.903 -2.071 748 2HD PRO 102 1HD PRO 102 18.946 -4.465 -2.143 749 HA PRO 103 HA PRO 103 22.220 1.104 0.925 750 1HB PRO 103 2HB PRO 103 24.126 2.543 -0.381 751 2HB PRO 103 1HB PRO 103 24.480 1.117 0.599 752 1HG PRO 103 2HG PRO 103 24.224 1.364 -2.368 753 2HG PRO 103 1HG PRO 103 25.398 0.437 -1.416 754 1HD PRO 103 2HD PRO 103 23.253 -0.706 -2.600 755 2HD PRO 103 1HD PRO 103 23.942 -1.310 -1.081 756 H ASN 104 H ASN 104 20.326 1.113 -1.477 757 HA ASN 104 HA ASN 104 20.243 3.951 -2.136 758 1HB ASN 104 2HB ASN 104 18.363 1.714 -2.950 759 2HB ASN 104 1HB ASN 104 18.366 3.350 -3.597 760 1HD2 ASN 104 1HD2 ASN 104 18.706 0.766 -4.937 761 2HD2 ASN 104 2HD2 ASN 104 20.223 0.863 -5.765 762 H ASP 105 H ASP 105 19.692 4.958 -0.241 763 HA ASP 105 HA ASP 105 17.564 3.931 1.404 764 1HB ASP 105 2HB ASP 105 19.472 5.019 2.484 765 2HB ASP 105 1HB ASP 105 19.112 6.521 1.636 766 H ASP 106 H ASP 106 15.700 4.018 0.197 767 HA ASP 106 HA ASP 106 14.664 6.760 -0.012 768 1HB ASP 106 2HB ASP 106 14.816 5.575 -2.240 769 2HB ASP 106 1HB ASP 106 13.631 4.423 -1.625 770 H LYS 107 H LYS 107 13.657 7.059 1.752 771 HA LYS 107 HA LYS 107 12.744 5.616 3.723 772 1HB LYS 107 2HB LYS 107 11.826 8.123 2.598 773 2HB LYS 107 1HB LYS 107 10.524 7.274 3.423 774 1HG LYS 107 2HG LYS 107 11.369 8.461 5.165 775 2HG LYS 107 1HG LYS 107 12.373 7.014 5.293 776 1HD LYS 107 2HD LYS 107 14.073 8.213 3.855 777 2HD LYS 107 1HD LYS 107 13.091 9.670 4.052 778 1HE LYS 107 2HE LYS 107 14.264 8.087 6.329 779 2HE LYS 107 1HE LYS 107 14.996 9.529 5.626 780 1HZ LYS 107 1HZ LYS 107 12.744 10.610 6.142 781 2HZ LYS 107 2HZ LYS 107 13.824 10.344 7.420 782 3HZ LYS 107 3HZ LYS 107 12.514 9.300 7.195 783 H CYS 108 H CYS 108 10.449 6.089 0.953 784 HA CYS 108 HA CYS 108 8.756 4.092 2.195 785 1HB CYS 108 2HB CYS 108 7.905 6.317 1.385 786 2HB CYS 108 1HB CYS 108 8.218 5.773 -0.255 787 H MET 109 H MET 109 11.220 4.054 -0.151 788 HA MET 109 HA MET 109 9.794 2.394 -2.019 789 1HB MET 109 2HB MET 109 11.150 3.939 -3.106 790 2HB MET 109 1HB MET 109 12.486 3.696 -1.991 791 1HG MET 109 2HG MET 109 12.897 1.519 -2.932 792 2HG MET 109 1HG MET 109 11.546 1.714 -4.046 793 1HE MET 109 1HE MET 109 13.127 1.135 -6.104 794 2HE MET 109 2HE MET 109 14.477 0.915 -4.992 795 3HE MET 109 3HE MET 109 14.664 1.942 -6.413 796 H LYS 110 H LYS 110 12.063 2.071 0.548 797 HA LYS 110 HA LYS 110 13.325 -0.332 -0.138 798 1HB LYS 110 2HB LYS 110 13.520 -0.611 2.416 799 2HB LYS 110 1HB LYS 110 14.355 0.729 1.643 800 1HG LYS 110 2HG LYS 110 13.450 1.854 3.375 801 2HG LYS 110 1HG LYS 110 12.045 1.925 2.307 802 1HD LYS 110 2HD LYS 110 10.905 0.307 3.477 803 2HD LYS 110 1HD LYS 110 12.381 -0.429 4.105 804 1HE LYS 110 2HE LYS 110 12.699 1.611 5.511 805 2HE LYS 110 1HE LYS 110 11.107 2.155 4.982 806 1HZ LYS 110 1HZ LYS 110 10.070 0.363 6.049 807 2HZ LYS 110 2HZ LYS 110 11.219 0.923 7.169 808 3HZ LYS 110 3HZ LYS 110 11.528 -0.482 6.263 809 H THR 111 H THR 111 10.353 0.245 1.602 810 HA THR 111 HA THR 111 9.608 -2.332 2.223 811 HB THR 111 HB THR 111 8.519 0.202 2.343 812 HG1 THR 111 1HG THR 111 8.434 -1.471 3.932 813 1HG2 THR 111 1HG2 THR 111 7.288 -0.167 0.208 814 2HG2 THR 111 2HG2 THR 111 6.195 -0.027 1.591 815 3HG2 THR 111 3HG2 THR 111 6.554 -1.613 0.912 816 H ILE 112 H ILE 112 9.905 -0.982 -0.961 817 HA ILE 112 HA ILE 112 8.105 -2.972 -2.096 818 HB ILE 112 HB ILE 112 9.674 -0.749 -3.295 819 1HG1 ILE 112 2HG1 ILE 112 7.249 -0.641 -4.446 820 2HG1 ILE 112 1HG1 ILE 112 6.832 -1.463 -2.945 821 1HG2 ILE 112 1HG2 ILE 112 10.159 -2.622 -4.743 822 2HG2 ILE 112 2HG2 ILE 112 9.063 -1.499 -5.548 823 3HG2 ILE 112 3HG2 ILE 112 8.441 -2.998 -4.857 824 1HD1 ILE 112 1HD1 ILE 112 7.944 0.403 -1.718 825 2HD1 ILE 112 2HD1 ILE 112 6.507 0.865 -2.622 826 3HD1 ILE 112 3HD1 ILE 112 8.109 1.239 -3.259 827 H ASP 113 H ASP 113 11.517 -2.240 -1.711 828 HA ASP 113 HA ASP 113 12.584 -4.301 -3.280 829 1HB ASP 113 2HB ASP 113 13.885 -2.415 -2.235 830 2HB ASP 113 1HB ASP 113 13.789 -3.265 -0.699 831 H VAL 114 H VAL 114 11.313 -4.374 0.039 832 HA VAL 114 HA VAL 114 12.114 -7.119 0.402 833 HB VAL 114 HB VAL 114 10.616 -7.037 2.430 834 1HG1 VAL 114 1HG1 VAL 114 12.753 -4.936 2.294 835 2HG1 VAL 114 2HG1 VAL 114 13.058 -6.665 2.456 836 3HG1 VAL 114 3HG1 VAL 114 12.198 -5.798 3.728 837 1HG2 VAL 114 1HG2 VAL 114 10.573 -4.135 1.810 838 2HG2 VAL 114 2HG2 VAL 114 9.888 -4.901 3.234 839 3HG2 VAL 114 3HG2 VAL 114 9.186 -5.196 1.640 840 H ALA 115 H ALA 115 9.174 -5.364 -0.428 841 HA ALA 115 HA ALA 115 7.359 -7.483 -0.307 842 1HB ALA 115 1HB ALA 115 6.921 -5.025 -0.536 843 2HB ALA 115 2HB ALA 115 5.879 -6.092 -1.480 844 3HB ALA 115 3HB ALA 115 7.200 -5.222 -2.265 845 H MET 116 H MET 116 9.259 -6.290 -3.085 846 HA MET 116 HA MET 116 8.272 -8.391 -4.745 847 1HB MET 116 2HB MET 116 9.944 -7.685 -6.418 848 2HB MET 116 1HB MET 116 8.900 -6.392 -5.869 849 1HG MET 116 2HG MET 116 11.063 -5.509 -6.132 850 2HG MET 116 1HG MET 116 10.760 -5.608 -4.405 851 1HE MET 116 1HE MET 116 13.473 -5.175 -4.221 852 2HE MET 116 2HE MET 116 13.612 -5.251 -5.978 853 3HE MET 116 3HE MET 116 14.658 -6.250 -4.969 854 H CYS 117 H CYS 117 10.826 -8.148 -2.488 855 HA CYS 117 HA CYS 117 12.308 -10.447 -3.220 856 1HB CYS 117 2HB CYS 117 13.307 -8.942 -1.683 857 2HB CYS 117 1HB CYS 117 11.915 -8.995 -0.611 858 H PHE 118 H PHE 118 9.272 -9.942 -1.660 859 HA PHE 118 HA PHE 118 9.224 -12.588 -0.539 860 1HB PHE 118 2HB PHE 118 8.143 -10.797 0.700 861 2HB PHE 118 1HB PHE 118 7.025 -10.517 -0.628 862 HD1 PHE 118 1HD PHE 118 4.975 -11.637 -0.670 863 HD2 PHE 118 2HD PHE 118 8.114 -13.119 1.799 864 HE1 PHE 118 1HE PHE 118 3.429 -13.272 0.312 865 HE2 PHE 118 2HE PHE 118 6.567 -14.758 2.783 866 HZ PHE 118 HZ PHE 118 4.222 -14.836 2.039 867 H LYS 119 H LYS 119 7.455 -10.986 -3.243 868 HA LYS 119 HA LYS 119 6.109 -13.458 -3.788 869 1HB LYS 119 2HB LYS 119 4.854 -12.359 -5.258 870 2HB LYS 119 1HB LYS 119 5.628 -10.905 -4.662 871 1HG LYS 119 2HG LYS 119 6.778 -12.455 -6.957 872 2HG LYS 119 1HG LYS 119 5.480 -11.285 -7.193 873 1HD LYS 119 2HD LYS 119 8.170 -10.711 -5.957 874 2HD LYS 119 1HD LYS 119 7.679 -10.294 -7.601 875 1HE LYS 119 2HE LYS 119 6.434 -9.290 -5.052 876 2HE LYS 119 1HE LYS 119 7.493 -8.370 -6.117 877 1HZ LYS 119 1HZ LYS 119 5.789 -8.717 -7.894 878 2HZ LYS 119 2HZ LYS 119 5.278 -7.738 -6.604 879 3HZ LYS 119 3HZ LYS 119 4.748 -9.345 -6.706 880 H LYS 120 H LYS 120 9.126 -12.009 -4.900 881 HA LYS 120 HA LYS 120 9.890 -13.805 -6.840 882 1HB LYS 120 2HB LYS 120 11.054 -11.824 -5.418 883 2HB LYS 120 1HB LYS 120 11.919 -13.242 -4.838 884 1HG LYS 120 2HG LYS 120 12.690 -13.783 -6.979 885 2HG LYS 120 1HG LYS 120 11.546 -12.673 -7.753 886 1HD LYS 120 2HD LYS 120 13.718 -11.883 -5.878 887 2HD LYS 120 1HD LYS 120 13.841 -11.761 -7.633 888 1HE LYS 120 2HE LYS 120 11.724 -10.340 -7.485 889 2HE LYS 120 1HE LYS 120 12.011 -10.276 -5.756 890 1HZ LYS 120 1HZ LYS 120 12.964 -8.351 -6.826 891 2HZ LYS 120 2HZ LYS 120 13.901 -9.326 -7.850 892 3HZ LYS 120 3HZ LYS 120 14.199 -9.310 -6.179 893 H GLU 121 H GLU 121 10.490 -14.100 -3.342 894 HA GLU 121 HA GLU 121 11.538 -16.671 -3.394 895 1HB GLU 121 2HB GLU 121 9.969 -15.330 -1.188 896 2HB GLU 121 1HB GLU 121 10.850 -16.837 -0.993 897 1HG GLU 121 2HG GLU 121 11.971 -14.100 -1.527 898 2HG GLU 121 1HG GLU 121 12.207 -15.123 -0.115 899 H ILE 122 H ILE 122 8.084 -15.792 -2.769 900 HA ILE 122 HA ILE 122 7.187 -18.385 -2.476 901 HB ILE 122 HB ILE 122 6.027 -15.974 -2.197 902 1HG1 ILE 122 2HG1 ILE 122 4.668 -18.612 -2.630 903 2HG1 ILE 122 1HG1 ILE 122 5.380 -18.063 -1.125 904 1HG2 ILE 122 1HG2 ILE 122 4.318 -17.022 -4.385 905 2HG2 ILE 122 2HG2 ILE 122 5.749 -16.090 -4.832 906 3HG2 ILE 122 3HG2 ILE 122 4.519 -15.370 -3.793 907 1HD1 ILE 122 1HD1 ILE 122 2.994 -16.846 -2.504 908 2HD1 ILE 122 2HD1 ILE 122 3.713 -16.277 -0.998 909 3HD1 ILE 122 3HD1 ILE 122 2.962 -17.870 -1.068 910 H HIS 123 H HIS 123 7.719 -16.502 -5.428 911 HA HIS 123 HA HIS 123 6.546 -18.469 -7.124 912 1HB HIS 123 2HB HIS 123 8.200 -16.039 -7.533 913 2HB HIS 123 1HB HIS 123 8.200 -17.232 -8.828 914 HD1 HIS 123 1HD HIS 123 6.709 -16.268 -10.566 915 HD2 HIS 123 2HD HIS 123 5.065 -15.965 -6.749 916 HE1 HIS 123 1HE HIS 123 4.384 -15.366 -10.898 917 HE2 HIS 123 2HE HIS 123 3.327 -15.469 -8.618 918 H LYS 124 H LYS 124 9.710 -18.077 -5.693 919 HA LYS 124 HA LYS 124 11.078 -19.886 -7.408 920 1HB LYS 124 2HB LYS 124 12.298 -18.173 -6.294 921 2HB LYS 124 1HB LYS 124 11.654 -18.639 -4.730 922 1HG LYS 124 2HG LYS 124 12.919 -20.766 -4.914 923 2HG LYS 124 1HG LYS 124 13.658 -20.135 -6.392 924 1HD LYS 124 2HD LYS 124 14.574 -18.261 -5.184 925 2HD LYS 124 1HD LYS 124 13.736 -18.763 -3.715 926 1HE LYS 124 2HE LYS 124 16.111 -19.377 -3.660 927 2HE LYS 124 1HE LYS 124 15.072 -20.803 -3.637 928 1HZ LYS 124 1HZ LYS 124 16.273 -19.732 -6.127 929 2HZ LYS 124 2HZ LYS 124 15.548 -21.248 -5.885 930 3HZ LYS 124 3HZ LYS 124 17.039 -20.901 -5.170 931 H LEU 125 H LEU 125 9.494 -20.139 -4.237 932 HA LEU 125 HA LEU 125 10.070 -22.969 -4.123 933 1HB LEU 125 2HB LEU 125 8.524 -22.887 -2.100 934 2HB LEU 125 1HB LEU 125 10.076 -22.084 -2.006 935 HG LEU 125 HG LEU 125 8.303 -20.113 -2.884 936 1HD1 LEU 125 1HD1 LEU 125 7.104 -21.605 -0.560 937 2HD1 LEU 125 2HD1 LEU 125 6.457 -21.632 -2.199 938 3HD1 LEU 125 3HD1 LEU 125 6.509 -20.118 -1.295 939 1HD2 LEU 125 1HD2 LEU 125 10.302 -20.103 -1.359 940 2HD2 LEU 125 2HD2 LEU 125 9.202 -20.591 -0.062 941 3HD2 LEU 125 3HD2 LEU 125 8.960 -19.051 -0.895 942 H ASN 126 H ASN 126 8.117 -21.472 -6.107 943 HA ASN 126 HA ASN 126 6.251 -21.926 -7.272 944 1HB ASN 126 2HB ASN 126 6.692 -24.623 -6.021 945 2HB ASN 126 1HB ASN 126 5.306 -24.310 -7.059 946 1HD2 ASN 126 1HD2 ASN 126 8.446 -22.830 -7.518 947 2HD2 ASN 126 2HD2 ASN 126 8.828 -23.651 -8.995 948 H TRP 127 H TRP 127 3.871 -22.624 -7.035 949 HA TRP 127 HA TRP 127 2.984 -21.435 -4.495 950 1HB TRP 127 2HB TRP 127 0.908 -20.928 -6.048 951 2HB TRP 127 1HB TRP 127 2.350 -19.916 -6.121 952 HD1 TRP 127 HD TRP 127 0.594 -22.734 -8.065 953 HE1 TRP 127 1HE TRP 127 1.460 -22.716 -10.480 954 HE3 TRP 127 3HE TRP 127 4.224 -19.166 -7.604 955 HZ2 TRP 127 2HZ TRP 127 3.414 -21.363 -12.004 956 HZ3 TRP 127 3HZ TRP 127 5.545 -18.566 -9.591 957 HH2 TRP 127 HH TRP 127 5.149 -19.642 -11.744 958 H VAL 128 H VAL 128 0.449 -21.925 -4.328 959 HA VAL 128 HA VAL 128 0.227 -24.756 -3.863 960 HB VAL 128 HB VAL 128 -2.025 -24.210 -3.001 961 1HG1 VAL 128 1HG1 VAL 128 -1.305 -22.819 -1.115 962 2HG1 VAL 128 2HG1 VAL 128 0.155 -22.382 -2.004 963 3HG1 VAL 128 3HG1 VAL 128 -0.111 -24.055 -1.513 964 1HG2 VAL 128 1HG2 VAL 128 -1.358 -21.386 -3.826 965 2HG2 VAL 128 2HG2 VAL 128 -2.749 -21.870 -2.859 966 3HG2 VAL 128 3HG2 VAL 128 -2.608 -22.411 -4.532 967 HA PRO 129 HA PRO 129 -2.139 -26.124 -7.405 968 1HB PRO 129 2HB PRO 129 -4.516 -26.470 -5.641 969 2HB PRO 129 1HB PRO 129 -3.785 -27.608 -6.779 970 1HG PRO 129 2HG PRO 129 -3.396 -27.909 -4.176 971 2HG PRO 129 1HG PRO 129 -2.057 -28.157 -5.315 972 1HD PRO 129 2HD PRO 129 -2.615 -25.826 -3.525 973 2HD PRO 129 1HD PRO 129 -1.063 -26.582 -3.943 974 H ASN 130 H ASN 130 -2.199 -24.102 -8.404 975 HA ASN 130 HA ASN 130 -4.820 -23.270 -9.091 976 1HB ASN 130 2HB ASN 130 -4.822 -20.997 -8.369 977 2HB ASN 130 1HB ASN 130 -4.411 -21.947 -6.947 978 1HD2 ASN 130 1HD2 ASN 130 -3.901 -19.129 -7.651 979 2HD2 ASN 130 2HD2 ASN 130 -2.194 -18.919 -7.488 980 H MET 131 H MET 131 -4.322 -20.952 -10.434 981 HA MET 131 HA MET 131 -1.979 -21.618 -12.097 982 1HB MET 131 2HB MET 131 -4.560 -20.301 -12.969 983 2HB MET 131 1HB MET 131 -3.188 -20.665 -14.005 984 1HG MET 131 2HG MET 131 -3.523 -23.030 -13.695 985 2HG MET 131 1HG MET 131 -4.823 -22.725 -12.543 986 1HE MET 131 1HE MET 131 -5.218 -24.678 -14.979 987 2HE MET 131 2HE MET 131 -6.801 -24.172 -15.570 988 3HE MET 131 3HE MET 131 -6.497 -24.277 -13.836 989 H ASP 132 H ASP 132 -0.463 -20.231 -11.295 990 HA ASP 132 HA ASP 132 -1.070 -17.458 -10.803 991 1HB ASP 132 2HB ASP 132 0.699 -18.602 -9.515 992 2HB ASP 132 1HB ASP 132 1.614 -18.853 -10.998 993 H LEU 133 H LEU 133 -1.482 -16.159 -12.447 994 HA LEU 133 HA LEU 133 -0.102 -16.588 -14.997 995 1HB LEU 133 2HB LEU 133 -2.679 -15.301 -14.223 996 2HB LEU 133 1HB LEU 133 -1.864 -14.726 -15.662 997 HG LEU 133 HG LEU 133 -1.931 -17.016 -16.598 998 1HD1 LEU 133 1HD1 LEU 133 -3.528 -17.636 -14.121 999 2HD1 LEU 133 2HD1 LEU 133 -1.969 -18.324 -14.575 1000 3HD1 LEU 133 3HD1 LEU 133 -3.406 -18.683 -15.533 1001 1HD2 LEU 133 1HD2 LEU 133 -4.608 -15.926 -15.740 1002 2HD2 LEU 133 2HD2 LEU 133 -4.324 -17.044 -17.075 1003 3HD2 LEU 133 3HD2 LEU 133 -3.676 -15.405 -17.144 1004 H VAL 134 H VAL 134 1.149 -15.392 -12.645 1005 HA VAL 134 HA VAL 134 1.594 -12.641 -13.588 1006 HB VAL 134 HB VAL 134 2.644 -13.816 -11.014 1007 1HG1 VAL 134 1HG1 VAL 134 2.663 -11.473 -10.279 1008 2HG1 VAL 134 2HG1 VAL 134 2.054 -10.979 -11.860 1009 3HG1 VAL 134 3HG1 VAL 134 3.651 -11.716 -11.721 1010 1HG2 VAL 134 1HG2 VAL 134 -0.022 -12.465 -11.430 1011 2HG2 VAL 134 2HG2 VAL 134 0.688 -12.870 -9.867 1012 3HG2 VAL 134 3HG2 VAL 134 0.240 -14.152 -10.991 1013 H ILE 135 H ILE 135 2.644 -15.470 -14.426 1014 HA ILE 135 HA ILE 135 5.469 -15.275 -14.108 1015 HB ILE 135 HB ILE 135 5.686 -17.139 -15.573 1016 1HG1 ILE 135 2HG1 ILE 135 3.995 -16.307 -17.292 1017 2HG1 ILE 135 1HG1 ILE 135 4.013 -18.038 -16.992 1018 1HG2 ILE 135 1HG2 ILE 135 3.231 -17.440 -13.857 1019 2HG2 ILE 135 2HG2 ILE 135 4.907 -17.626 -13.343 1020 3HG2 ILE 135 3HG2 ILE 135 4.206 -18.767 -14.490 1021 1HD1 ILE 135 1HD1 ILE 135 1.948 -16.014 -16.243 1022 2HD1 ILE 135 2HD1 ILE 135 2.070 -17.538 -15.370 1023 3HD1 ILE 135 3HD1 ILE 135 1.766 -17.540 -17.105 1024 H GLY 136 H GLY 136 3.891 -13.008 -15.526 1025 1HA GLY 136 2HA GLY 136 5.261 -12.963 -18.104 1026 2HA GLY 136 1HA GLY 136 4.076 -11.795 -17.527 1027 H GLU 137 H GLU 137 6.945 -13.010 -15.918 1028 HA GLU 137 HA GLU 137 7.821 -10.611 -14.863 1029 1HB GLU 137 2HB GLU 137 8.620 -12.790 -14.105 1030 2HB GLU 137 1HB GLU 137 9.423 -13.056 -15.645 1031 1HG GLU 137 2HG GLU 137 10.967 -11.263 -15.197 1032 2HG GLU 137 1HG GLU 137 10.113 -10.862 -13.705 1033 H VAL 138 H VAL 138 8.355 -8.837 -15.904 1034 HA VAL 138 HA VAL 138 8.978 -8.836 -18.670 1035 HB VAL 138 HB VAL 138 9.394 -6.352 -18.288 1036 1HG1 VAL 138 1HG1 VAL 138 7.288 -7.244 -19.125 1037 2HG1 VAL 138 2HG1 VAL 138 7.001 -5.888 -18.034 1038 3HG1 VAL 138 3HG1 VAL 138 6.743 -7.541 -17.474 1039 1HG2 VAL 138 1HG2 VAL 138 8.546 -5.423 -16.181 1040 2HG2 VAL 138 2HG2 VAL 138 9.958 -6.446 -15.914 1041 3HG2 VAL 138 3HG2 VAL 138 8.345 -7.056 -15.546 1042 H LEU 139 H LEU 139 10.834 -9.756 -19.239 1043 HA LEU 139 HA LEU 139 13.322 -9.101 -17.936 1044 1HB LEU 139 2HB LEU 139 12.749 -11.305 -19.110 1045 2HB LEU 139 1HB LEU 139 12.964 -10.442 -20.617 1046 HG LEU 139 HG LEU 139 15.164 -10.612 -18.562 1047 1HD1 LEU 139 1HD1 LEU 139 14.505 -12.883 -19.130 1048 2HD1 LEU 139 2HD1 LEU 139 16.064 -12.488 -19.858 1049 3HD1 LEU 139 3HD1 LEU 139 14.604 -12.496 -20.848 1050 1HD2 LEU 139 1HD2 LEU 139 15.189 -10.137 -21.544 1051 2HD2 LEU 139 2HD2 LEU 139 16.600 -10.187 -20.488 1052 3HD2 LEU 139 3HD2 LEU 139 15.406 -8.901 -20.305 1053 H ALA 140 H ALA 140 13.604 -6.920 -18.092 1054 HA ALA 140 HA ALA 140 13.307 -5.622 -20.678 1055 1HB ALA 140 1HB ALA 140 13.624 -3.537 -19.459 1056 2HB ALA 140 2HB ALA 140 13.986 -4.439 -17.988 1057 3HB ALA 140 3HB ALA 140 12.375 -4.522 -18.700 1058 H GLU 141 H GLU 141 15.015 -6.261 -21.906 1059 HA GLU 141 HA GLU 141 17.714 -5.832 -20.879 1060 1HB GLU 141 2HB GLU 141 17.165 -7.912 -22.149 1061 2HB GLU 141 1HB GLU 141 16.834 -6.919 -23.561 1062 1HG GLU 141 2HG GLU 141 19.195 -6.096 -23.425 1063 2HG GLU 141 1HG GLU 141 19.473 -7.306 -22.175 1064 H VAL 142 H VAL 142 16.704 -5.347 -24.200 1065 HA VAL 142 HA VAL 142 17.015 -3.642 -25.661 1066 HB VAL 142 HB VAL 142 15.977 -1.930 -23.397 1067 1HG1 VAL 142 1HG1 VAL 142 15.811 -1.604 -26.392 1068 2HG1 VAL 142 2HG1 VAL 142 16.791 -0.639 -25.287 1069 3HG1 VAL 142 3HG1 VAL 142 15.031 -0.560 -25.203 1070 1HG2 VAL 142 1HG2 VAL 142 13.736 -2.421 -24.274 1071 2HG2 VAL 142 2HG2 VAL 142 14.545 -3.874 -23.684 1072 3HG2 VAL 142 3HG2 VAL 142 14.441 -3.564 -25.418 Start of MODEL 18 1 1H SER 1 1HT SER 1 -6.444 -18.078 -3.317 2 2H SER 1 2HT SER 1 -5.459 -16.852 -2.686 3 3H SER 1 3HT SER 1 -6.384 -16.560 -4.074 4 HA SER 1 HA SER 1 -8.418 -16.878 -2.784 5 1HB SER 1 2HB SER 1 -7.444 -18.315 -1.037 6 2HB SER 1 1HB SER 1 -6.485 -16.957 -0.448 7 HG SER 1 HG SER 1 -8.375 -17.191 0.791 8 HA PRO 2 HA PRO 2 -7.901 -12.476 -2.819 9 1HB PRO 2 2HB PRO 2 -10.486 -11.780 -2.732 10 2HB PRO 2 1HB PRO 2 -9.778 -12.553 -4.156 11 1HG PRO 2 2HG PRO 2 -11.462 -13.741 -1.992 12 2HG PRO 2 1HG PRO 2 -11.501 -14.043 -3.739 13 1HD PRO 2 2HD PRO 2 -10.255 -15.671 -1.887 14 2HD PRO 2 1HD PRO 2 -9.853 -15.615 -3.614 15 H GLU 3 H GLU 3 -8.766 -14.256 -0.151 16 HA GLU 3 HA GLU 3 -9.807 -12.543 1.717 17 1HB GLU 3 2HB GLU 3 -7.604 -14.576 2.089 18 2HB GLU 3 1HB GLU 3 -8.468 -13.801 3.410 19 1HG GLU 3 2HG GLU 3 -10.546 -14.790 2.676 20 2HG GLU 3 1HG GLU 3 -9.740 -15.500 1.277 21 H ILE 4 H ILE 4 -6.265 -13.080 1.506 22 HA ILE 4 HA ILE 4 -5.757 -10.697 2.945 23 HB ILE 4 HB ILE 4 -4.294 -12.754 2.974 24 1HG1 ILE 4 2HG1 ILE 4 -2.198 -11.487 3.184 25 2HG1 ILE 4 1HG1 ILE 4 -2.933 -10.127 2.337 26 1HG2 ILE 4 1HG2 ILE 4 -4.124 -13.272 0.653 27 2HG2 ILE 4 2HG2 ILE 4 -2.513 -12.835 1.217 28 3HG2 ILE 4 3HG2 ILE 4 -3.466 -11.680 0.287 29 1HD1 ILE 4 1HD1 ILE 4 -2.851 -9.834 4.782 30 2HD1 ILE 4 2HD1 ILE 4 -3.905 -11.237 4.958 31 3HD1 ILE 4 3HD1 ILE 4 -4.491 -9.792 4.134 32 H MET 5 H MET 5 -6.485 -11.263 -0.256 33 HA MET 5 HA MET 5 -4.914 -9.163 -1.426 34 1HB MET 5 2HB MET 5 -7.110 -10.965 -2.387 35 2HB MET 5 1HB MET 5 -6.582 -9.598 -3.367 36 1HG MET 5 2HG MET 5 -4.288 -10.515 -3.329 37 2HG MET 5 1HG MET 5 -4.892 -11.909 -2.435 38 1HE MET 5 1HE MET 5 -6.149 -10.873 -6.755 39 2HE MET 5 2HE MET 5 -4.997 -9.928 -5.813 40 3HE MET 5 3HE MET 5 -6.699 -9.955 -5.351 41 H LYS 6 H LYS 6 -7.942 -9.457 0.182 42 HA LYS 6 HA LYS 6 -9.000 -6.967 -0.823 43 1HB LYS 6 2HB LYS 6 -10.458 -8.874 -0.080 44 2HB LYS 6 1HB LYS 6 -9.929 -8.571 1.569 45 1HG LYS 6 2HG LYS 6 -10.889 -6.322 1.461 46 2HG LYS 6 1HG LYS 6 -11.425 -6.635 -0.188 47 1HD LYS 6 2HD LYS 6 -12.288 -8.249 2.210 48 2HD LYS 6 1HD LYS 6 -13.202 -6.895 1.552 49 1HE LYS 6 2HE LYS 6 -14.208 -8.785 0.612 50 2HE LYS 6 1HE LYS 6 -13.160 -8.171 -0.662 51 1HZ LYS 6 1HZ LYS 6 -12.983 -10.558 -0.481 52 2HZ LYS 6 2HZ LYS 6 -12.550 -10.440 1.158 53 3HZ LYS 6 3HZ LYS 6 -11.514 -9.841 -0.040 54 H ASN 7 H ASN 7 -7.216 -5.645 -0.355 55 HA ASN 7 HA ASN 7 -6.049 -5.289 2.171 56 1HB ASN 7 2HB ASN 7 -5.104 -4.544 -0.029 57 2HB ASN 7 1HB ASN 7 -6.304 -3.262 -0.066 58 1HD2 ASN 7 1HD2 ASN 7 -3.386 -3.187 -0.065 59 2HD2 ASN 7 2HD2 ASN 7 -2.932 -2.186 1.279 60 H LEU 8 H LEU 8 -6.598 -4.101 3.906 61 HA LEU 8 HA LEU 8 -9.212 -3.288 4.372 62 1HB LEU 8 2HB LEU 8 -6.646 -2.462 5.719 63 2HB LEU 8 1HB LEU 8 -8.219 -1.940 6.283 64 HG LEU 8 HG LEU 8 -8.775 -4.446 6.474 65 1HD1 LEU 8 1HD1 LEU 8 -6.777 -5.854 6.944 66 2HD1 LEU 8 2HD1 LEU 8 -5.777 -4.571 6.257 67 3HD1 LEU 8 3HD1 LEU 8 -6.964 -5.397 5.249 68 1HD2 LEU 8 1HD2 LEU 8 -7.787 -4.548 8.700 69 2HD2 LEU 8 2HD2 LEU 8 -8.470 -2.955 8.374 70 3HD2 LEU 8 3HD2 LEU 8 -6.726 -3.199 8.296 71 H SER 9 H SER 9 -6.399 -1.356 3.410 72 HA SER 9 HA SER 9 -7.664 1.160 3.541 73 1HB SER 9 2HB SER 9 -5.346 0.331 1.780 74 2HB SER 9 1HB SER 9 -5.757 1.976 2.266 75 HG SER 9 HG SER 9 -4.344 0.080 3.598 76 H ASN 10 H ASN 10 -7.509 -1.293 1.057 77 HA ASN 10 HA ASN 10 -8.581 0.350 -1.032 78 1HB ASN 10 2HB ASN 10 -7.187 -1.613 -1.542 79 2HB ASN 10 1HB ASN 10 -8.397 -2.666 -0.817 80 1HD2 ASN 10 1HD2 ASN 10 -7.595 -0.661 -3.535 81 2HD2 ASN 10 2HD2 ASN 10 -8.849 -1.223 -4.578 82 H ASN 11 H ASN 11 -9.859 -1.917 1.328 83 HA ASN 11 HA ASN 11 -12.531 -1.898 0.360 84 1HB ASN 11 2HB ASN 11 -11.759 -3.670 1.851 85 2HB ASN 11 1HB ASN 11 -11.463 -2.497 3.130 86 1HD2 ASN 11 1HD2 ASN 11 -13.892 -4.195 1.302 87 2HD2 ASN 11 2HD2 ASN 11 -15.207 -3.869 2.372 88 H PHE 12 H PHE 12 -10.912 -0.151 3.015 89 HA PHE 12 HA PHE 12 -12.839 1.624 3.763 90 1HB PHE 12 2HB PHE 12 -9.889 2.011 3.379 91 2HB PHE 12 1HB PHE 12 -10.899 3.366 3.867 92 HD1 PHE 12 1HD PHE 12 -12.667 2.527 5.818 93 HD2 PHE 12 2HD PHE 12 -8.739 1.056 5.106 94 HE1 PHE 12 1HE PHE 12 -12.510 1.820 8.169 95 HE2 PHE 12 2HE PHE 12 -8.578 0.338 7.454 96 HZ PHE 12 HZ PHE 12 -10.464 0.721 8.989 97 H GLY 13 H GLY 13 -10.439 2.770 1.328 98 1HA GLY 13 2HA GLY 13 -10.683 4.364 -0.303 99 2HA GLY 13 1HA GLY 13 -12.121 3.453 -0.725 100 H LYS 14 H LYS 14 -11.544 5.329 2.230 101 HA LYS 14 HA LYS 14 -14.094 6.502 2.184 102 1HB LYS 14 2HB LYS 14 -12.651 6.151 4.206 103 2HB LYS 14 1HB LYS 14 -11.648 7.488 3.664 104 1HG LYS 14 2HG LYS 14 -13.583 8.989 3.826 105 2HG LYS 14 1HG LYS 14 -14.561 7.642 4.411 106 1HD LYS 14 2HD LYS 14 -12.940 7.390 6.299 107 2HD LYS 14 1HD LYS 14 -12.154 8.872 5.750 108 1HE LYS 14 2HE LYS 14 -14.282 10.078 6.038 109 2HE LYS 14 1HE LYS 14 -15.026 8.596 6.637 110 1HZ LYS 14 1HZ LYS 14 -13.304 8.609 8.426 111 2HZ LYS 14 2HZ LYS 14 -14.404 9.891 8.499 112 3HZ LYS 14 3HZ LYS 14 -12.840 10.156 7.901 113 H ALA 15 H ALA 15 -10.896 7.953 1.584 114 HA ALA 15 HA ALA 15 -12.133 9.823 -0.272 115 1HB ALA 15 1HB ALA 15 -11.209 11.772 0.756 116 2HB ALA 15 2HB ALA 15 -10.381 10.804 1.973 117 3HB ALA 15 3HB ALA 15 -12.143 10.904 1.975 118 H MET 16 H MET 16 -11.048 9.308 -2.040 119 HA MET 16 HA MET 16 -8.332 8.436 -2.069 120 1HB MET 16 2HB MET 16 -10.094 9.405 -4.331 121 2HB MET 16 1HB MET 16 -8.549 8.592 -4.526 122 1HG MET 16 2HG MET 16 -9.461 6.588 -3.478 123 2HG MET 16 1HG MET 16 -11.009 7.405 -3.261 124 1HE MET 16 1HE MET 16 -11.793 4.785 -6.068 125 2HE MET 16 2HE MET 16 -12.248 5.394 -4.476 126 3HE MET 16 3HE MET 16 -10.705 4.571 -4.698 127 H ASP 17 H ASP 17 -10.019 11.446 -2.604 128 HA ASP 17 HA ASP 17 -7.898 12.928 -3.723 129 1HB ASP 17 2HB ASP 17 -10.207 13.654 -3.929 130 2HB ASP 17 1HB ASP 17 -10.329 13.849 -2.183 131 H GLN 18 H GLN 18 -8.627 12.040 -0.456 132 HA GLN 18 HA GLN 18 -7.024 14.249 0.576 133 1HB GLN 18 2HB GLN 18 -9.008 12.405 1.726 134 2HB GLN 18 1HB GLN 18 -7.681 12.835 2.796 135 1HG GLN 18 2HG GLN 18 -9.361 14.882 1.340 136 2HG GLN 18 1HG GLN 18 -9.707 14.300 2.970 137 1HE2 GLN 18 1HE2 GLN 18 -8.975 16.964 1.919 138 2HE2 GLN 18 2HE2 GLN 18 -7.594 17.451 2.849 139 H CYS 19 H CYS 19 -6.768 10.784 0.089 140 HA CYS 19 HA CYS 19 -4.270 10.588 1.477 141 1HB CYS 19 2HB CYS 19 -5.469 8.532 1.149 142 2HB CYS 19 1HB CYS 19 -5.544 8.778 -0.588 143 H LYS 20 H LYS 20 -5.332 11.346 -1.761 144 HA LYS 20 HA LYS 20 -2.924 11.241 -3.131 145 1HB LYS 20 2HB LYS 20 -5.467 11.727 -3.833 146 2HB LYS 20 1HB LYS 20 -4.892 13.386 -3.779 147 1HG LYS 20 2HG LYS 20 -3.713 11.166 -5.431 148 2HG LYS 20 1HG LYS 20 -4.758 12.458 -6.022 149 1HD LYS 20 2HD LYS 20 -2.252 13.150 -4.565 150 2HD LYS 20 1HD LYS 20 -2.161 12.629 -6.239 151 1HE LYS 20 2HE LYS 20 -3.666 14.417 -6.905 152 2HE LYS 20 1HE LYS 20 -3.856 14.904 -5.222 153 1HZ LYS 20 1HZ LYS 20 -2.236 16.221 -6.626 154 2HZ LYS 20 2HZ LYS 20 -1.207 14.870 -6.541 155 3HZ LYS 20 3HZ LYS 20 -1.672 15.677 -5.122 156 H ASP 21 H ASP 21 -4.499 13.966 -1.473 157 HA ASP 21 HA ASP 21 -2.378 15.762 -2.122 158 1HB ASP 21 2HB ASP 21 -4.828 16.348 -1.650 159 2HB ASP 21 1HB ASP 21 -4.404 16.217 0.056 160 H GLU 22 H GLU 22 -3.124 13.727 0.647 161 HA GLU 22 HA GLU 22 -1.292 14.943 2.441 162 1HB GLU 22 2HB GLU 22 -3.251 13.122 2.716 163 2HB GLU 22 1HB GLU 22 -1.864 12.044 2.719 164 1HG GLU 22 2HG GLU 22 -2.160 14.414 4.548 165 2HG GLU 22 1HG GLU 22 -2.661 12.781 4.967 166 H LEU 23 H LEU 23 -0.993 12.141 0.243 167 HA LEU 23 HA LEU 23 1.786 11.766 0.979 168 1HB LEU 23 2HB LEU 23 0.194 10.487 -1.243 169 2HB LEU 23 1HB LEU 23 1.799 10.004 -0.731 170 HG LEU 23 HG LEU 23 -0.825 9.593 0.640 171 1HD1 LEU 23 1HD1 LEU 23 0.030 7.322 0.841 172 2HD1 LEU 23 2HD1 LEU 23 1.564 7.825 0.136 173 3HD1 LEU 23 3HD1 LEU 23 0.093 7.864 -0.836 174 1HD2 LEU 23 1HD2 LEU 23 0.904 10.785 2.083 175 2HD2 LEU 23 2HD2 LEU 23 1.792 9.252 2.055 176 3HD2 LEU 23 3HD2 LEU 23 0.157 9.317 2.726 177 H SER 24 H SER 24 0.033 13.616 -1.185 178 HA SER 24 HA SER 24 0.555 15.060 -2.849 179 1HB SER 24 2HB SER 24 2.465 15.607 -1.237 180 2HB SER 24 1HB SER 24 3.473 14.557 -2.229 181 HG SER 24 HG SER 24 3.057 15.932 -4.004 182 H LEU 25 H LEU 25 0.134 12.290 -3.362 183 HA LEU 25 HA LEU 25 1.839 11.079 -5.155 184 1HB LEU 25 2HB LEU 25 -1.161 11.210 -5.383 185 2HB LEU 25 1HB LEU 25 -0.149 10.141 -6.317 186 HG LEU 25 HG LEU 25 -0.963 8.745 -4.679 187 1HD1 LEU 25 1HD1 LEU 25 1.501 9.779 -3.347 188 2HD1 LEU 25 2HD1 LEU 25 1.523 8.761 -4.787 189 3HD1 LEU 25 3HD1 LEU 25 0.842 8.146 -3.277 190 1HD2 LEU 25 1HD2 LEU 25 -1.001 9.386 -2.260 191 2HD2 LEU 25 2HD2 LEU 25 -2.142 10.241 -3.298 192 3HD2 LEU 25 3HD2 LEU 25 -0.658 11.038 -2.772 193 HA PRO 26 HA PRO 26 1.804 13.739 -8.822 194 1HB PRO 26 2HB PRO 26 2.763 11.271 -10.134 195 2HB PRO 26 1HB PRO 26 3.511 12.870 -10.082 196 1HG PRO 26 2HG PRO 26 4.534 10.815 -8.705 197 2HG PRO 26 1HG PRO 26 4.550 12.465 -8.052 198 1HD PRO 26 2HD PRO 26 2.707 10.202 -7.409 199 2HD PRO 26 1HD PRO 26 3.467 11.352 -6.324 200 H ASP 27 H ASP 27 0.429 13.766 -10.668 201 HA ASP 27 HA ASP 27 -2.029 12.478 -10.240 202 1HB ASP 27 2HB ASP 27 -2.800 13.498 -12.257 203 2HB ASP 27 1HB ASP 27 -1.689 14.633 -11.503 204 H SER 28 H SER 28 0.715 11.589 -12.213 205 HA SER 28 HA SER 28 -0.621 9.635 -13.774 206 1HB SER 28 2HB SER 28 1.539 10.694 -14.416 207 2HB SER 28 1HB SER 28 2.329 9.808 -13.113 208 HG SER 28 HG SER 28 1.679 8.983 -15.603 209 H VAL 29 H VAL 29 1.153 9.522 -10.720 210 HA VAL 29 HA VAL 29 1.256 6.681 -10.599 211 HB VAL 29 HB VAL 29 1.549 8.629 -8.325 212 1HG1 VAL 29 1HG1 VAL 29 2.817 6.776 -7.317 213 2HG1 VAL 29 2HG1 VAL 29 2.388 5.754 -8.676 214 3HG1 VAL 29 3HG1 VAL 29 1.135 6.359 -7.592 215 1HG2 VAL 29 1HG2 VAL 29 3.638 7.442 -10.153 216 2HG2 VAL 29 2HG2 VAL 29 3.960 8.434 -8.730 217 3HG2 VAL 29 3HG2 VAL 29 3.128 9.129 -10.122 218 H VAL 30 H VAL 30 -0.728 9.097 -8.860 219 HA VAL 30 HA VAL 30 -2.197 7.223 -7.386 220 HB VAL 30 HB VAL 30 -2.062 9.627 -6.858 221 1HG1 VAL 30 1HG1 VAL 30 -4.263 10.568 -8.276 222 2HG1 VAL 30 2HG1 VAL 30 -3.179 9.872 -9.465 223 3HG1 VAL 30 3HG1 VAL 30 -2.605 11.137 -8.373 224 1HG2 VAL 30 1HG2 VAL 30 -4.833 8.467 -7.102 225 2HG2 VAL 30 2HG2 VAL 30 -4.374 9.815 -6.059 226 3HG2 VAL 30 3HG2 VAL 30 -3.699 8.210 -5.775 227 H ALA 31 H ALA 31 -2.708 8.602 -10.586 228 HA ALA 31 HA ALA 31 -5.274 7.524 -11.076 229 1HB ALA 31 1HB ALA 31 -3.086 8.107 -13.046 230 2HB ALA 31 2HB ALA 31 -4.202 9.318 -12.401 231 3HB ALA 31 3HB ALA 31 -4.813 7.995 -13.401 232 H ASP 32 H ASP 32 -2.031 6.403 -11.990 233 HA ASP 32 HA ASP 32 -2.874 4.059 -13.308 234 1HB ASP 32 2HB ASP 32 -0.656 5.036 -13.671 235 2HB ASP 32 1HB ASP 32 -0.218 4.694 -12.000 236 H LEU 33 H LEU 33 -1.844 4.716 -9.992 237 HA LEU 33 HA LEU 33 -1.958 2.175 -8.910 238 1HB LEU 33 2HB LEU 33 -1.379 4.387 -7.797 239 2HB LEU 33 1HB LEU 33 -3.103 4.632 -7.596 240 HG LEU 33 HG LEU 33 -3.168 2.484 -6.291 241 1HD1 LEU 33 1HD1 LEU 33 -0.207 2.780 -6.658 242 2HD1 LEU 33 2HD1 LEU 33 -1.220 1.373 -7.003 243 3HD1 LEU 33 3HD1 LEU 33 -0.907 1.848 -5.331 244 1HD2 LEU 33 1HD2 LEU 33 -1.477 4.767 -5.285 245 2HD2 LEU 33 2HD2 LEU 33 -2.155 3.497 -4.265 246 3HD2 LEU 33 3HD2 LEU 33 -3.226 4.590 -5.142 247 H TYR 34 H TYR 34 -4.642 4.532 -8.990 248 HA TYR 34 HA TYR 34 -6.600 2.641 -8.240 249 1HB TYR 34 2HB TYR 34 -6.836 5.352 -9.513 250 2HB TYR 34 1HB TYR 34 -8.228 4.406 -8.996 251 HD1 TYR 34 1HD TYR 34 -7.027 7.187 -8.017 252 HD2 TYR 34 2HD TYR 34 -6.985 3.212 -6.498 253 HE1 TYR 34 1HE TYR 34 -6.760 8.064 -5.735 254 HE2 TYR 34 2HE TYR 34 -6.717 4.080 -4.216 255 HH TYR 34 HH TYR 34 -5.856 6.134 -3.124 256 H ASN 35 H ASN 35 -5.059 2.048 -11.005 257 HA ASN 35 HA ASN 35 -6.973 2.298 -13.043 258 1HB ASN 35 2HB ASN 35 -4.505 1.821 -13.335 259 2HB ASN 35 1HB ASN 35 -4.843 0.160 -12.865 260 1HD2 ASN 35 1HD2 ASN 35 -3.840 1.361 -15.383 261 2HD2 ASN 35 2HD2 ASN 35 -4.899 0.773 -16.619 262 H PHE 36 H PHE 36 -8.688 1.121 -13.584 263 HA PHE 36 HA PHE 36 -9.783 -0.659 -11.659 264 1HB PHE 36 2HB PHE 36 -11.223 0.810 -12.948 265 2HB PHE 36 1HB PHE 36 -10.691 0.067 -14.452 266 HD1 PHE 36 1HD PHE 36 -11.878 -1.699 -15.358 267 HD2 PHE 36 2HD PHE 36 -12.408 -0.718 -11.250 268 HE1 PHE 36 1HE PHE 36 -13.712 -3.331 -15.209 269 HE2 PHE 36 2HE PHE 36 -14.242 -2.349 -11.093 270 HZ PHE 36 HZ PHE 36 -14.896 -3.658 -13.072 271 H TRP 37 H TRP 37 -8.174 -1.073 -14.744 272 HA TRP 37 HA TRP 37 -8.704 -3.926 -14.780 273 1HB TRP 37 2HB TRP 37 -7.022 -2.171 -16.588 274 2HB TRP 37 1HB TRP 37 -7.301 -3.892 -16.842 275 HD1 TRP 37 HD TRP 37 -9.674 -4.633 -17.765 276 HE1 TRP 37 1HE TRP 37 -11.607 -3.333 -18.859 277 HE3 TRP 37 3HE TRP 37 -8.246 0.119 -16.530 278 HZ2 TRP 37 2HZ TRP 37 -12.423 -0.645 -19.141 279 HZ3 TRP 37 3HZ TRP 37 -9.660 1.998 -17.249 280 HH2 TRP 37 HH TRP 37 -11.704 1.623 -18.529 281 H LYS 38 H LYS 38 -7.266 -5.509 -14.334 282 HA LYS 38 HA LYS 38 -5.266 -4.656 -12.422 283 1HB LYS 38 2HB LYS 38 -6.318 -7.399 -13.118 284 2HB LYS 38 1HB LYS 38 -5.105 -7.087 -11.883 285 1HG LYS 38 2HG LYS 38 -7.144 -7.297 -10.741 286 2HG LYS 38 1HG LYS 38 -6.806 -5.571 -10.781 287 1HD LYS 38 2HD LYS 38 -8.320 -5.415 -12.769 288 2HD LYS 38 1HD LYS 38 -8.751 -7.105 -12.501 289 1HE LYS 38 2HE LYS 38 -10.426 -5.707 -11.489 290 2HE LYS 38 1HE LYS 38 -9.501 -6.498 -10.214 291 1HZ LYS 38 1HZ LYS 38 -8.228 -4.471 -9.915 292 2HZ LYS 38 2HZ LYS 38 -9.885 -4.153 -9.734 293 3HZ LYS 38 3HZ LYS 38 -9.091 -3.716 -11.165 294 H ASP 39 H ASP 39 -4.022 -3.729 -14.236 295 HA ASP 39 HA ASP 39 -2.483 -5.009 -16.050 296 1HB ASP 39 2HB ASP 39 -2.323 -2.598 -15.373 297 2HB ASP 39 1HB ASP 39 -1.294 -3.103 -14.035 298 H ASP 40 H ASP 40 -1.423 -4.824 -12.584 299 HA ASP 40 HA ASP 40 -0.535 -6.411 -11.237 300 1HB ASP 40 2HB ASP 40 -2.015 -8.043 -12.452 301 2HB ASP 40 1HB ASP 40 -0.683 -8.344 -13.562 302 H TYR 41 H TYR 41 0.925 -4.582 -12.814 303 HA TYR 41 HA TYR 41 3.369 -5.828 -13.647 304 1HB TYR 41 2HB TYR 41 4.222 -3.579 -13.946 305 2HB TYR 41 1HB TYR 41 2.601 -3.677 -14.613 306 HD1 TYR 41 1HD TYR 41 3.669 -1.075 -14.213 307 HD2 TYR 41 2HD TYR 41 1.795 -3.586 -11.347 308 HE1 TYR 41 1HE TYR 41 3.027 0.904 -12.906 309 HE2 TYR 41 2HE TYR 41 1.132 -1.614 -10.034 310 HH TYR 41 HH TYR 41 1.269 1.527 -11.248 311 H VAL 42 H VAL 42 5.446 -4.792 -12.660 312 HA VAL 42 HA VAL 42 5.472 -5.413 -9.828 313 HB VAL 42 HB VAL 42 7.756 -4.455 -11.569 314 1HG1 VAL 42 1HG1 VAL 42 8.137 -4.168 -9.174 315 2HG1 VAL 42 2HG1 VAL 42 9.180 -5.426 -9.835 316 3HG1 VAL 42 3HG1 VAL 42 7.750 -5.867 -8.904 317 1HG2 VAL 42 1HG2 VAL 42 6.809 -6.523 -12.456 318 2HG2 VAL 42 2HG2 VAL 42 6.957 -7.276 -10.867 319 3HG2 VAL 42 3HG2 VAL 42 8.405 -6.803 -11.755 320 H MET 43 H MET 43 4.954 -3.902 -8.406 321 HA MET 43 HA MET 43 4.648 -1.169 -9.064 322 1HB MET 43 2HB MET 43 3.331 -2.332 -7.325 323 2HB MET 43 1HB MET 43 4.777 -2.480 -6.342 324 1HG MET 43 2HG MET 43 4.905 -0.099 -6.078 325 2HG MET 43 1HG MET 43 3.566 0.135 -7.200 326 1HE MET 43 1HE MET 43 1.592 -2.212 -6.373 327 2HE MET 43 2HE MET 43 1.056 -0.560 -6.681 328 3HE MET 43 3HE MET 43 0.559 -1.389 -5.206 329 H THR 44 H THR 44 6.421 -0.051 -9.636 330 HA THR 44 HA THR 44 8.853 -0.321 -8.041 331 HB THR 44 HB THR 44 9.728 1.208 -9.980 332 HG1 THR 44 1HG THR 44 8.253 0.251 -11.873 333 1HG2 THR 44 1HG2 THR 44 8.970 -1.684 -10.428 334 2HG2 THR 44 2HG2 THR 44 10.423 -1.109 -9.611 335 3HG2 THR 44 3HG2 THR 44 10.193 -0.790 -11.332 336 H ASP 45 H ASP 45 6.433 2.071 -8.965 337 HA ASP 45 HA ASP 45 7.876 4.337 -7.991 338 1HB ASP 45 2HB ASP 45 5.898 4.300 -9.645 339 2HB ASP 45 1HB ASP 45 4.885 4.232 -8.211 340 H ARG 46 H ARG 46 8.404 4.645 -6.081 341 HA ARG 46 HA ARG 46 7.568 3.611 -3.713 342 1HB ARG 46 2HB ARG 46 8.503 5.597 -2.609 343 2HB ARG 46 1HB ARG 46 9.555 4.990 -3.872 344 1HG ARG 46 2HG ARG 46 7.760 7.420 -4.045 345 2HG ARG 46 1HG ARG 46 9.514 7.416 -3.849 346 1HD ARG 46 2HD ARG 46 8.125 6.168 -6.204 347 2HD ARG 46 1HD ARG 46 8.667 7.835 -6.202 348 HE ARG 46 HE ARG 46 10.788 6.078 -5.508 349 1HH1 ARG 46 1HH1 ARG 46 8.923 7.281 -8.213 350 2HH1 ARG 46 2HH1 ARG 46 10.135 6.900 -9.393 351 1HH2 ARG 46 1HH2 ARG 46 12.405 5.586 -7.055 352 2HH2 ARG 46 2HH2 ARG 46 12.128 5.942 -8.736 353 H LEU 47 H LEU 47 6.003 6.300 -5.438 354 HA LEU 47 HA LEU 47 4.392 7.065 -3.226 355 1HB LEU 47 2HB LEU 47 4.359 7.711 -6.142 356 2HB LEU 47 1HB LEU 47 2.914 8.016 -5.197 357 HG LEU 47 HG LEU 47 4.147 10.037 -5.291 358 1HD1 LEU 47 1HD1 LEU 47 3.155 9.428 -3.108 359 2HD1 LEU 47 2HD1 LEU 47 4.534 10.527 -2.979 360 3HD1 LEU 47 3HD1 LEU 47 4.734 8.816 -2.604 361 1HD2 LEU 47 1HD2 LEU 47 6.281 9.110 -5.962 362 2HD2 LEU 47 2HD2 LEU 47 6.543 8.497 -4.325 363 3HD2 LEU 47 3HD2 LEU 47 6.469 10.237 -4.616 364 H ALA 48 H ALA 48 4.189 4.439 -5.413 365 HA ALA 48 HA ALA 48 1.329 4.129 -5.165 366 1HB ALA 48 1HB ALA 48 2.596 3.427 -7.186 367 2HB ALA 48 2HB ALA 48 1.610 2.145 -6.489 368 3HB ALA 48 3HB ALA 48 3.355 2.159 -6.227 369 H GLY 49 H GLY 49 4.138 2.117 -4.296 370 1HA GLY 49 2HA GLY 49 3.312 0.540 -2.320 371 2HA GLY 49 1HA GLY 49 4.789 1.467 -2.156 372 H CYS 50 H CYS 50 3.705 4.091 -1.719 373 HA CYS 50 HA CYS 50 2.866 3.758 0.999 374 1HB CYS 50 2HB CYS 50 3.658 6.067 -0.706 375 2HB CYS 50 1HB CYS 50 2.682 6.400 0.715 376 H ALA 51 H ALA 51 1.320 4.950 -1.974 377 HA ALA 51 HA ALA 51 -0.975 5.957 -0.633 378 1HB ALA 51 1HB ALA 51 -0.192 6.813 -2.801 379 2HB ALA 51 2HB ALA 51 -1.892 6.344 -2.826 380 3HB ALA 51 3HB ALA 51 -0.677 5.293 -3.552 381 H ILE 52 H ILE 52 -0.142 2.809 -1.835 382 HA ILE 52 HA ILE 52 -2.829 1.849 -2.000 383 HB ILE 52 HB ILE 52 -0.948 0.766 -3.206 384 1HG1 ILE 52 2HG1 ILE 52 -1.624 -1.578 -2.724 385 2HG1 ILE 52 1HG1 ILE 52 -2.459 -1.012 -1.280 386 1HG2 ILE 52 1HG2 ILE 52 0.538 -0.769 -2.001 387 2HG2 ILE 52 2HG2 ILE 52 -0.132 -0.203 -0.472 388 3HG2 ILE 52 3HG2 ILE 52 0.769 0.906 -1.505 389 1HD1 ILE 52 1HD1 ILE 52 -3.109 -0.236 -4.115 390 2HD1 ILE 52 2HD1 ILE 52 -3.947 0.334 -2.672 391 3HD1 ILE 52 3HD1 ILE 52 -4.006 -1.373 -3.111 392 H ASN 53 H ASN 53 -0.573 2.341 0.556 393 HA ASN 53 HA ASN 53 -2.404 1.007 2.441 394 1HB ASN 53 2HB ASN 53 0.616 0.953 2.400 395 2HB ASN 53 1HB ASN 53 -0.318 0.539 3.831 396 1HD2 ASN 53 1HD2 ASN 53 1.503 -1.046 2.139 397 2HD2 ASN 53 2HD2 ASN 53 0.579 -2.428 1.654 398 H CYS 54 H CYS 54 -2.662 3.669 1.798 399 HA CYS 54 HA CYS 54 -1.171 5.153 3.818 400 1HB CYS 54 2HB CYS 54 -2.000 7.168 2.746 401 2HB CYS 54 1HB CYS 54 -1.309 6.093 1.538 402 H LEU 55 H LEU 55 -4.485 4.326 2.922 403 HA LEU 55 HA LEU 55 -5.781 6.108 4.648 404 1HB LEU 55 2HB LEU 55 -6.511 4.191 2.746 405 2HB LEU 55 1HB LEU 55 -7.323 3.711 4.224 406 HG LEU 55 HG LEU 55 -7.511 6.488 3.059 407 1HD1 LEU 55 1HD1 LEU 55 -9.695 5.841 2.211 408 2HD1 LEU 55 2HD1 LEU 55 -9.436 4.189 2.774 409 3HD1 LEU 55 3HD1 LEU 55 -8.425 4.852 1.489 410 1HD2 LEU 55 1HD2 LEU 55 -9.439 6.692 4.534 411 2HD2 LEU 55 2HD2 LEU 55 -7.982 6.315 5.455 412 3HD2 LEU 55 3HD2 LEU 55 -9.170 5.052 5.127 413 H ALA 56 H ALA 56 -4.922 2.683 5.161 414 HA ALA 56 HA ALA 56 -6.257 2.666 7.716 415 1HB ALA 56 1HB ALA 56 -5.445 0.372 7.905 416 2HB ALA 56 2HB ALA 56 -4.428 0.604 6.482 417 3HB ALA 56 3HB ALA 56 -6.185 0.651 6.330 418 H THR 57 H THR 57 -3.235 3.610 6.571 419 HA THR 57 HA THR 57 -1.857 3.299 9.085 420 HB THR 57 HB THR 57 -1.061 4.843 6.616 421 HG1 THR 57 1HG THR 57 -0.559 2.931 5.868 422 1HG2 THR 57 1HG2 THR 57 0.344 4.195 9.156 423 2HG2 THR 57 2HG2 THR 57 0.202 5.755 8.343 424 3HG2 THR 57 3HG2 THR 57 1.246 4.499 7.670 425 H LYS 58 H LYS 58 -3.610 5.799 7.337 426 HA LYS 58 HA LYS 58 -2.867 7.908 9.121 427 1HB LYS 58 2HB LYS 58 -5.217 7.825 7.224 428 2HB LYS 58 1HB LYS 58 -4.515 9.258 7.952 429 1HG LYS 58 2HG LYS 58 -2.960 7.469 6.108 430 2HG LYS 58 1HG LYS 58 -3.962 8.792 5.518 431 1HD LYS 58 2HD LYS 58 -1.449 8.928 7.177 432 2HD LYS 58 1HD LYS 58 -1.796 9.671 5.627 433 1HE LYS 58 2HE LYS 58 -3.301 11.236 6.609 434 2HE LYS 58 1HE LYS 58 -3.221 10.416 8.168 435 1HZ LYS 58 1HZ LYS 58 -0.903 11.712 6.838 436 2HZ LYS 58 2HZ LYS 58 -0.951 11.061 8.408 437 3HZ LYS 58 3HZ LYS 58 -1.850 12.449 8.040 438 H LEU 59 H LEU 59 -5.433 5.508 9.144 439 HA LEU 59 HA LEU 59 -7.039 6.785 11.068 440 1HB LEU 59 2HB LEU 59 -6.698 3.973 10.162 441 2HB LEU 59 1HB LEU 59 -7.498 4.233 11.700 442 HG LEU 59 HG LEU 59 -9.114 3.994 9.895 443 1HD1 LEU 59 1HD1 LEU 59 -9.004 6.807 10.966 444 2HD1 LEU 59 2HD1 LEU 59 -9.672 5.407 11.804 445 3HD1 LEU 59 3HD1 LEU 59 -10.431 5.994 10.323 446 1HD2 LEU 59 1HD2 LEU 59 -9.322 5.704 8.158 447 2HD2 LEU 59 2HD2 LEU 59 -7.794 4.832 8.040 448 3HD2 LEU 59 3HD2 LEU 59 -7.832 6.457 8.727 449 H ASP 60 H ASP 60 -4.670 4.133 11.662 450 HA ASP 60 HA ASP 60 -3.444 5.347 13.855 451 1HB ASP 60 2HB ASP 60 -5.621 5.147 14.978 452 2HB ASP 60 1HB ASP 60 -5.628 3.415 14.660 453 H VAL 61 H VAL 61 -1.541 4.386 13.785 454 HA VAL 61 HA VAL 61 -1.223 1.558 13.994 455 HB VAL 61 HB VAL 61 -1.899 1.798 11.608 456 1HG1 VAL 61 1HG1 VAL 61 -0.987 3.989 11.176 457 2HG1 VAL 61 2HG1 VAL 61 -0.338 2.822 10.024 458 3HG1 VAL 61 3HG1 VAL 61 0.653 3.374 11.376 459 1HG2 VAL 61 1HG2 VAL 61 0.975 0.947 11.831 460 2HG2 VAL 61 2HG2 VAL 61 -0.238 0.365 10.687 461 3HG2 VAL 61 3HG2 VAL 61 -0.382 -0.028 12.401 462 H VAL 62 H VAL 62 -0.320 3.926 15.350 463 HA VAL 62 HA VAL 62 2.535 3.967 14.663 464 HB VAL 62 HB VAL 62 2.688 6.102 15.894 465 1HG1 VAL 62 1HG1 VAL 62 1.526 7.471 14.220 466 2HG1 VAL 62 2HG1 VAL 62 0.648 6.039 13.681 467 3HG1 VAL 62 3HG1 VAL 62 2.399 6.120 13.496 468 1HG2 VAL 62 1HG2 VAL 62 0.800 5.832 17.421 469 2HG2 VAL 62 2HG2 VAL 62 -0.319 5.915 16.061 470 3HG2 VAL 62 3HG2 VAL 62 0.649 7.323 16.492 471 H ASP 63 H ASP 63 3.784 2.741 15.898 472 HA ASP 63 HA ASP 63 2.990 1.813 18.459 473 1HB ASP 63 2HB ASP 63 4.803 0.932 16.627 474 2HB ASP 63 1HB ASP 63 5.870 1.684 17.810 475 HA PRO 64 HA PRO 64 6.109 4.843 20.318 476 1HB PRO 64 2HB PRO 64 7.589 6.350 18.397 477 2HB PRO 64 1HB PRO 64 8.150 4.966 19.337 478 1HG PRO 64 2HG PRO 64 7.855 4.946 16.606 479 2HG PRO 64 1HG PRO 64 7.779 3.493 17.624 480 1HD PRO 64 2HD PRO 64 5.516 5.192 16.594 481 2HD PRO 64 1HD PRO 64 5.692 3.425 16.530 482 H ASP 65 H ASP 65 7.052 7.500 19.461 483 HA ASP 65 HA ASP 65 4.746 8.949 20.333 484 1HB ASP 65 2HB ASP 65 6.209 10.849 20.434 485 2HB ASP 65 1HB ASP 65 7.099 9.447 21.004 486 H GLY 66 H GLY 66 5.366 7.840 17.369 487 1HA GLY 66 2HA GLY 66 3.542 9.010 15.851 488 2HA GLY 66 1HA GLY 66 4.750 10.282 15.902 489 H ASN 67 H ASN 67 7.053 9.303 15.583 490 HA ASN 67 HA ASN 67 6.963 8.148 12.910 491 1HB ASN 67 2HB ASN 67 9.455 8.633 12.968 492 2HB ASN 67 1HB ASN 67 8.396 10.033 13.069 493 1HD2 ASN 67 1HD2 ASN 67 9.032 7.847 15.769 494 2HD2 ASN 67 2HD2 ASN 67 9.896 9.009 16.723 495 H LEU 68 H LEU 68 8.509 6.430 12.319 496 HA LEU 68 HA LEU 68 9.627 4.474 12.573 497 1HB LEU 68 2HB LEU 68 10.779 5.909 14.376 498 2HB LEU 68 1HB LEU 68 9.808 5.022 15.530 499 HG LEU 68 HG LEU 68 12.325 4.343 14.800 500 1HD1 LEU 68 1HD1 LEU 68 10.090 2.574 15.745 501 2HD1 LEU 68 2HD1 LEU 68 11.280 3.437 16.721 502 3HD1 LEU 68 3HD1 LEU 68 11.781 2.076 15.715 503 1HD2 LEU 68 1HD2 LEU 68 10.501 2.648 13.098 504 2HD2 LEU 68 2HD2 LEU 68 12.211 2.337 13.395 505 3HD2 LEU 68 3HD2 LEU 68 11.718 3.784 12.516 506 H HIS 69 H HIS 69 6.690 4.726 12.946 507 HA HIS 69 HA HIS 69 5.984 2.605 14.734 508 1HB HIS 69 2HB HIS 69 3.704 2.857 13.720 509 2HB HIS 69 1HB HIS 69 4.357 4.328 14.424 510 HD1 HIS 69 1HD HIS 69 2.895 2.992 11.356 511 HD2 HIS 69 2HD HIS 69 5.287 6.229 12.400 512 HE1 HIS 69 1HE HIS 69 2.721 4.607 9.441 513 HE2 HIS 69 2HE HIS 69 4.020 6.636 10.180 514 H HIS 70 H HIS 70 7.670 1.193 13.617 515 HA HIS 70 HA HIS 70 6.686 -0.120 11.215 516 1HB HIS 70 2HB HIS 70 9.157 0.296 11.696 517 2HB HIS 70 1HB HIS 70 9.040 -0.981 12.904 518 HD1 HIS 70 1HD HIS 70 10.678 -0.932 10.068 519 HD2 HIS 70 2HD HIS 70 7.222 -3.044 11.028 520 HE1 HIS 70 1HE HIS 70 10.585 -2.852 8.444 521 HE2 HIS 70 2HE HIS 70 8.368 -3.955 8.894 522 H GLY 71 H GLY 71 7.281 -0.896 14.624 523 1HA GLY 71 2HA GLY 71 6.551 -3.589 14.591 524 2HA GLY 71 1HA GLY 71 6.458 -2.538 15.992 525 H ASN 72 H ASN 72 4.559 -0.796 15.462 526 HA ASN 72 HA ASN 72 2.181 -2.185 15.914 527 1HB ASN 72 2HB ASN 72 2.788 0.284 16.438 528 2HB ASN 72 1HB ASN 72 2.197 0.614 14.817 529 1HD2 ASN 72 1HD2 ASN 72 1.176 1.409 17.485 530 2HD2 ASN 72 2HD2 ASN 72 -0.468 0.879 17.522 531 H ALA 73 H ALA 73 3.581 -1.018 12.897 532 HA ALA 73 HA ALA 73 1.260 -1.206 11.314 533 1HB ALA 73 1HB ALA 73 3.249 0.031 10.597 534 2HB ALA 73 2HB ALA 73 2.781 -1.181 9.403 535 3HB ALA 73 3HB ALA 73 4.147 -1.483 10.475 536 H LYS 74 H LYS 74 3.744 -3.523 12.230 537 HA LYS 74 HA LYS 74 2.660 -5.578 10.530 538 1HB LYS 74 2HB LYS 74 4.699 -5.711 12.735 539 2HB LYS 74 1HB LYS 74 4.246 -7.067 11.715 540 1HG LYS 74 2HG LYS 74 5.531 -4.498 10.827 541 2HG LYS 74 1HG LYS 74 6.263 -6.094 10.892 542 1HD LYS 74 2HD LYS 74 3.828 -5.583 9.228 543 2HD LYS 74 1HD LYS 74 5.441 -5.223 8.615 544 1HE LYS 74 2HE LYS 74 4.798 -7.408 7.859 545 2HE LYS 74 1HE LYS 74 6.081 -7.578 9.051 546 1HZ LYS 74 1HZ LYS 74 4.291 -9.198 9.342 547 2HZ LYS 74 2HZ LYS 74 3.190 -7.944 9.619 548 3HZ LYS 74 3HZ LYS 74 4.465 -8.206 10.703 549 H ASP 75 H ASP 75 2.465 -4.683 13.922 550 HA ASP 75 HA ASP 75 0.970 -6.910 14.815 551 1HB ASP 75 2HB ASP 75 2.122 -5.293 16.315 552 2HB ASP 75 1HB ASP 75 0.925 -4.077 15.889 553 H PHE 76 H PHE 76 0.046 -3.773 13.485 554 HA PHE 76 HA PHE 76 -2.740 -4.027 13.763 555 1HB PHE 76 2HB PHE 76 -1.518 -1.906 13.257 556 2HB PHE 76 1HB PHE 76 -1.213 -2.506 11.632 557 HD1 PHE 76 1HD PHE 76 -2.818 -2.278 9.935 558 HD2 PHE 76 2HD PHE 76 -3.881 -1.484 13.978 559 HE1 PHE 76 1HE PHE 76 -4.946 -1.307 9.178 560 HE2 PHE 76 2HE PHE 76 -6.014 -0.512 13.228 561 HZ PHE 76 HZ PHE 76 -6.547 -0.423 10.826 562 H ALA 77 H ALA 77 -0.496 -5.034 11.238 563 HA ALA 77 HA ALA 77 -2.472 -5.909 9.396 564 1HB ALA 77 1HB ALA 77 -0.510 -7.277 8.491 565 2HB ALA 77 2HB ALA 77 0.453 -6.480 9.734 566 3HB ALA 77 3HB ALA 77 -0.353 -5.521 8.493 567 H MET 78 H MET 78 -0.818 -7.462 12.081 568 HA MET 78 HA MET 78 -1.761 -10.093 11.468 569 1HB MET 78 2HB MET 78 -0.665 -8.976 14.054 570 2HB MET 78 1HB MET 78 -1.009 -10.674 13.765 571 1HG MET 78 2HG MET 78 0.631 -10.612 11.898 572 2HG MET 78 1HG MET 78 1.050 -8.975 12.393 573 1HE MET 78 1HE MET 78 2.416 -9.632 16.041 574 2HE MET 78 2HE MET 78 0.742 -9.298 15.601 575 3HE MET 78 3HE MET 78 2.052 -8.401 14.833 576 H LYS 79 H LYS 79 -2.926 -7.453 13.485 577 HA LYS 79 HA LYS 79 -5.024 -9.169 14.540 578 1HB LYS 79 2HB LYS 79 -3.727 -7.450 15.914 579 2HB LYS 79 1HB LYS 79 -4.672 -6.222 15.087 580 1HG LYS 79 2HG LYS 79 -6.712 -7.103 15.995 581 2HG LYS 79 1HG LYS 79 -5.845 -8.466 16.709 582 1HD LYS 79 2HD LYS 79 -4.560 -6.888 18.098 583 2HD LYS 79 1HD LYS 79 -5.495 -5.553 17.418 584 1HE LYS 79 2HE LYS 79 -7.542 -6.509 18.326 585 2HE LYS 79 1HE LYS 79 -6.632 -7.875 18.969 586 1HZ LYS 79 1HZ LYS 79 -6.268 -5.038 19.770 587 2HZ LYS 79 2HZ LYS 79 -5.422 -6.365 20.404 588 3HZ LYS 79 3HZ LYS 79 -7.087 -6.217 20.664 589 H HIS 80 H HIS 80 -4.542 -7.260 11.825 590 HA HIS 80 HA HIS 80 -7.427 -7.225 11.314 591 1HB HIS 80 2HB HIS 80 -5.659 -4.834 10.748 592 2HB HIS 80 1HB HIS 80 -7.380 -4.965 10.416 593 HD1 HIS 80 1HD HIS 80 -8.987 -4.453 12.320 594 HD2 HIS 80 2HD HIS 80 -4.991 -4.491 13.480 595 HE1 HIS 80 1HE HIS 80 -8.946 -3.521 14.658 596 HE2 HIS 80 2HE HIS 80 -6.533 -3.684 15.386 597 H GLY 81 H GLY 81 -7.019 -8.997 9.898 598 1HA GLY 81 2HA GLY 81 -7.247 -8.974 7.411 599 2HA GLY 81 1HA GLY 81 -5.714 -8.120 7.392 600 H ALA 82 H ALA 82 -3.859 -9.326 8.435 601 HA ALA 82 HA ALA 82 -3.934 -12.010 7.270 602 1HB ALA 82 1HB ALA 82 -1.428 -10.661 8.181 603 2HB ALA 82 2HB ALA 82 -2.193 -10.193 6.660 604 3HB ALA 82 3HB ALA 82 -1.655 -11.855 6.902 605 H ASP 83 H ASP 83 -3.464 -13.823 8.385 606 HA ASP 83 HA ASP 83 -3.259 -13.712 11.263 607 1HB ASP 83 2HB ASP 83 -2.964 -16.207 11.041 608 2HB ASP 83 1HB ASP 83 -4.466 -15.547 10.454 609 H GLU 84 H GLU 84 -1.487 -14.956 12.330 610 HA GLU 84 HA GLU 84 0.513 -13.106 12.020 611 1HB GLU 84 2HB GLU 84 1.466 -14.118 13.990 612 2HB GLU 84 1HB GLU 84 -0.275 -14.086 14.116 613 1HG GLU 84 2HG GLU 84 1.446 -16.475 13.610 614 2HG GLU 84 1HG GLU 84 0.437 -16.114 15.003 615 H THR 85 H THR 85 0.436 -16.545 11.359 616 HA THR 85 HA THR 85 3.033 -17.009 10.625 617 HB THR 85 HB THR 85 1.037 -18.600 10.826 618 HG1 THR 85 1HG THR 85 3.412 -18.847 9.787 619 1HG2 THR 85 1HG2 THR 85 -0.373 -17.706 9.097 620 2HG2 THR 85 2HG2 THR 85 0.126 -19.332 8.640 621 3HG2 THR 85 3HG2 THR 85 0.888 -17.930 7.887 622 H MET 86 H MET 86 0.590 -15.190 8.804 623 HA MET 86 HA MET 86 2.161 -15.301 6.361 624 1HB MET 86 2HB MET 86 -0.309 -13.661 6.968 625 2HB MET 86 1HB MET 86 0.429 -13.886 5.387 626 1HG MET 86 2HG MET 86 -0.049 -16.280 5.523 627 2HG MET 86 1HG MET 86 -0.816 -16.017 7.088 628 1HE MET 86 1HE MET 86 -2.423 -14.277 3.117 629 2HE MET 86 2HE MET 86 -1.000 -15.314 3.219 630 3HE MET 86 3HE MET 86 -0.959 -13.691 3.909 631 H ALA 87 H ALA 87 1.326 -13.031 8.892 632 HA ALA 87 HA ALA 87 2.783 -10.845 7.869 633 1HB ALA 87 1HB ALA 87 1.751 -11.629 10.554 634 2HB ALA 87 2HB ALA 87 1.256 -10.293 9.515 635 3HB ALA 87 3HB ALA 87 2.791 -10.215 10.382 636 H GLN 88 H GLN 88 3.622 -13.688 9.674 637 HA GLN 88 HA GLN 88 6.237 -12.760 10.455 638 1HB GLN 88 2HB GLN 88 4.544 -15.077 11.018 639 2HB GLN 88 1HB GLN 88 6.263 -15.438 10.956 640 1HG GLN 88 2HG GLN 88 5.353 -14.888 13.218 641 2HG GLN 88 1HG GLN 88 6.733 -13.920 12.705 642 1HE2 GLN 88 1HE2 GLN 88 3.289 -13.923 13.323 643 2HE2 GLN 88 2HE2 GLN 88 3.127 -12.192 13.374 644 H GLN 89 H GLN 89 4.914 -14.726 7.862 645 HA GLN 89 HA GLN 89 7.543 -15.447 6.946 646 1HB GLN 89 2HB GLN 89 6.434 -16.195 4.869 647 2HB GLN 89 1HB GLN 89 5.721 -16.899 6.308 648 1HG GLN 89 2HG GLN 89 3.825 -15.431 6.153 649 2HG GLN 89 1HG GLN 89 4.568 -14.558 4.808 650 1HE2 GLN 89 1HE2 GLN 89 2.022 -15.969 4.947 651 2HE2 GLN 89 2HE2 GLN 89 2.065 -17.165 3.705 652 H LEU 90 H LEU 90 5.425 -12.764 6.671 653 HA LEU 90 HA LEU 90 6.737 -11.495 4.480 654 1HB LEU 90 2HB LEU 90 4.429 -10.956 5.152 655 2HB LEU 90 1HB LEU 90 5.033 -10.308 6.663 656 HG LEU 90 HG LEU 90 6.251 -8.558 5.419 657 1HD1 LEU 90 1HD1 LEU 90 5.770 -8.200 3.055 658 2HD1 LEU 90 2HD1 LEU 90 4.831 -9.692 3.014 659 3HD1 LEU 90 3HD1 LEU 90 6.567 -9.752 3.319 660 1HD2 LEU 90 1HD2 LEU 90 4.027 -8.107 6.303 661 2HD2 LEU 90 2HD2 LEU 90 3.300 -8.716 4.815 662 3HD2 LEU 90 3HD2 LEU 90 4.286 -7.254 4.782 663 H VAL 91 H VAL 91 6.951 -11.157 8.035 664 HA VAL 91 HA VAL 91 8.681 -8.962 8.089 665 HB VAL 91 HB VAL 91 9.291 -9.561 10.347 666 1HG1 VAL 91 1HG1 VAL 91 7.049 -9.686 11.384 667 2HG1 VAL 91 2HG1 VAL 91 6.385 -10.024 9.782 668 3HG1 VAL 91 3HG1 VAL 91 7.179 -8.481 10.098 669 1HG2 VAL 91 1HG2 VAL 91 8.178 -12.230 9.686 670 2HG2 VAL 91 2HG2 VAL 91 8.204 -11.657 11.347 671 3HG2 VAL 91 3HG2 VAL 91 9.709 -11.814 10.443 672 H ASP 92 H ASP 92 9.347 -12.349 7.732 673 HA ASP 92 HA ASP 92 12.096 -12.320 8.248 674 1HB ASP 92 2HB ASP 92 11.038 -14.413 8.301 675 2HB ASP 92 1HB ASP 92 10.290 -14.184 6.726 676 H ILE 93 H ILE 93 10.262 -12.012 5.228 677 HA ILE 93 HA ILE 93 12.538 -11.641 3.587 678 HB ILE 93 HB ILE 93 9.610 -11.157 3.233 679 1HG1 ILE 93 2HG1 ILE 93 9.950 -12.615 1.264 680 2HG1 ILE 93 1HG1 ILE 93 11.669 -12.676 1.628 681 1HG2 ILE 93 1HG2 ILE 93 10.721 -9.158 2.296 682 2HG2 ILE 93 2HG2 ILE 93 9.891 -10.134 1.083 683 3HG2 ILE 93 3HG2 ILE 93 11.646 -10.216 1.231 684 1HD1 ILE 93 1HD1 ILE 93 9.458 -13.730 3.376 685 2HD1 ILE 93 2HD1 ILE 93 11.185 -13.807 3.732 686 3HD1 ILE 93 3HD1 ILE 93 10.528 -14.692 2.354 687 H ILE 94 H ILE 94 10.370 -9.412 5.288 688 HA ILE 94 HA ILE 94 11.326 -7.005 4.245 689 HB ILE 94 HB ILE 94 10.360 -7.526 7.061 690 1HG1 ILE 94 2HG1 ILE 94 8.908 -6.586 4.579 691 2HG1 ILE 94 1HG1 ILE 94 8.710 -8.139 5.383 692 1HG2 ILE 94 1HG2 ILE 94 10.647 -4.933 5.546 693 2HG2 ILE 94 2HG2 ILE 94 11.599 -5.443 6.940 694 3HG2 ILE 94 3HG2 ILE 94 9.876 -5.115 7.122 695 1HD1 ILE 94 1HD1 ILE 94 8.083 -5.484 6.629 696 2HD1 ILE 94 2HD1 ILE 94 7.757 -7.077 7.312 697 3HD1 ILE 94 3HD1 ILE 94 6.898 -6.543 5.865 698 H HIS 95 H HIS 95 12.447 -8.871 7.031 699 HA HIS 95 HA HIS 95 14.420 -6.935 7.772 700 1HB HIS 95 2HB HIS 95 14.270 -9.844 8.593 701 2HB HIS 95 1HB HIS 95 15.210 -8.587 9.381 702 HD1 HIS 95 1HD HIS 95 13.029 -10.288 10.841 703 HD2 HIS 95 2HD HIS 95 12.415 -6.508 9.213 704 HE1 HIS 95 1HE HIS 95 11.090 -9.307 12.109 705 HE2 HIS 95 2HE HIS 95 10.870 -6.949 11.242 706 H GLY 96 H GLY 96 14.425 -9.817 5.761 707 1HA GLY 96 2HA GLY 96 17.318 -9.962 5.773 708 2HA GLY 96 1HA GLY 96 16.218 -11.045 4.930 709 H CYS 97 H CYS 97 14.756 -9.236 3.451 710 HA CYS 97 HA CYS 97 16.588 -8.812 1.345 711 1HB CYS 97 2HB CYS 97 13.699 -7.973 1.502 712 2HB CYS 97 1HB CYS 97 14.690 -8.091 0.051 713 H GLU 98 H GLU 98 14.750 -6.542 3.479 714 HA GLU 98 HA GLU 98 15.948 -4.251 2.354 715 1HB GLU 98 2HB GLU 98 14.049 -4.633 4.289 716 2HB GLU 98 1HB GLU 98 15.414 -4.040 5.230 717 1HG GLU 98 2HG GLU 98 15.592 -2.139 3.608 718 2HG GLU 98 1HG GLU 98 14.079 -2.691 2.899 719 H LYS 99 H LYS 99 17.120 -6.526 4.792 720 HA LYS 99 HA LYS 99 19.381 -5.057 5.603 721 1HB LYS 99 2HB LYS 99 18.679 -7.080 6.770 722 2HB LYS 99 1HB LYS 99 18.980 -8.048 5.334 723 1HG LYS 99 2HG LYS 99 20.763 -8.363 6.908 724 2HG LYS 99 1HG LYS 99 21.368 -7.491 5.497 725 1HD LYS 99 2HD LYS 99 21.152 -5.377 6.731 726 2HD LYS 99 1HD LYS 99 20.588 -6.272 8.143 727 1HE LYS 99 2HE LYS 99 22.718 -7.455 8.253 728 2HE LYS 99 1HE LYS 99 23.283 -6.590 6.825 729 1HZ LYS 99 1HZ LYS 99 24.105 -5.618 8.895 730 2HZ LYS 99 2HZ LYS 99 22.513 -5.320 9.396 731 3HZ LYS 99 3HZ LYS 99 23.137 -4.526 8.033 732 H SER 100 H SER 100 18.767 -7.162 2.864 733 HA SER 100 HA SER 100 21.485 -6.756 1.860 734 1HB SER 100 2HB SER 100 19.328 -8.582 0.784 735 2HB SER 100 1HB SER 100 21.052 -8.624 0.408 736 HG SER 100 HG SER 100 19.704 -9.431 2.736 737 H ALA 101 H ALA 101 19.023 -4.871 1.781 738 HA ALA 101 HA ALA 101 18.449 -4.588 -1.017 739 1HB ALA 101 1HB ALA 101 17.845 -2.783 1.328 740 2HB ALA 101 2HB ALA 101 16.758 -3.971 0.601 741 3HB ALA 101 3HB ALA 101 17.246 -2.542 -0.313 742 HA PRO 102 HA PRO 102 21.825 -2.181 -2.462 743 1HB PRO 102 2HB PRO 102 19.737 -0.389 -3.621 744 2HB PRO 102 1HB PRO 102 21.121 -1.160 -4.407 745 1HG PRO 102 2HG PRO 102 18.677 -2.119 -4.777 746 2HG PRO 102 1HG PRO 102 20.052 -3.220 -4.555 747 1HD PRO 102 2HD PRO 102 17.910 -2.444 -2.619 748 2HD PRO 102 1HD PRO 102 18.692 -4.020 -2.865 749 HA PRO 103 HA PRO 103 22.365 1.190 0.360 750 1HB PRO 103 2HB PRO 103 24.351 2.298 -1.489 751 2HB PRO 103 1HB PRO 103 24.585 1.604 0.117 752 1HG PRO 103 2HG PRO 103 25.422 0.348 -2.109 753 2HG PRO 103 1HG PRO 103 24.815 -0.542 -0.699 754 1HD PRO 103 2HD PRO 103 23.410 0.143 -3.257 755 2HD PRO 103 1HD PRO 103 23.421 -1.387 -2.353 756 H ASN 104 H ASN 104 20.186 1.624 -1.309 757 HA ASN 104 HA ASN 104 20.413 4.516 -1.826 758 1HB ASN 104 2HB ASN 104 20.192 3.312 -3.955 759 2HB ASN 104 1HB ASN 104 18.766 2.480 -3.349 760 1HD2 ASN 104 1HD2 ASN 104 17.425 3.227 -4.935 761 2HD2 ASN 104 2HD2 ASN 104 16.933 4.886 -5.056 762 H ASP 105 H ASP 105 19.591 5.160 0.133 763 HA ASP 105 HA ASP 105 17.275 3.843 1.241 764 1HB ASP 105 2HB ASP 105 19.013 4.620 2.758 765 2HB ASP 105 1HB ASP 105 18.770 6.280 2.217 766 H ASP 106 H ASP 106 15.588 4.214 -0.140 767 HA ASP 106 HA ASP 106 14.552 6.967 -0.023 768 1HB ASP 106 2HB ASP 106 14.730 6.065 -2.329 769 2HB ASP 106 1HB ASP 106 13.673 4.732 -1.873 770 H LYS 107 H LYS 107 13.233 7.243 1.587 771 HA LYS 107 HA LYS 107 12.402 5.600 3.473 772 1HB LYS 107 2HB LYS 107 10.495 7.051 3.974 773 2HB LYS 107 1HB LYS 107 11.947 7.957 3.588 774 1HG LYS 107 2HG LYS 107 10.378 7.556 1.216 775 2HG LYS 107 1HG LYS 107 9.389 8.259 2.498 776 1HD LYS 107 2HD LYS 107 11.134 9.997 2.818 777 2HD LYS 107 1HD LYS 107 12.006 9.326 1.437 778 1HE LYS 107 2HE LYS 107 10.713 11.225 0.711 779 2HE LYS 107 1HE LYS 107 10.021 9.755 0.024 780 1HZ LYS 107 1HZ LYS 107 8.993 11.128 2.452 781 2HZ LYS 107 2HZ LYS 107 8.285 9.800 1.673 782 3HZ LYS 107 3HZ LYS 107 8.340 11.306 0.897 783 H CYS 108 H CYS 108 10.072 6.111 0.723 784 HA CYS 108 HA CYS 108 8.569 3.856 1.760 785 1HB CYS 108 2HB CYS 108 7.597 6.085 0.908 786 2HB CYS 108 1HB CYS 108 7.888 5.442 -0.705 787 H MET 109 H MET 109 11.099 4.215 -0.480 788 HA MET 109 HA MET 109 9.972 2.517 -2.489 789 1HB MET 109 2HB MET 109 11.949 4.422 -2.498 790 2HB MET 109 1HB MET 109 12.849 2.920 -2.666 791 1HG MET 109 2HG MET 109 11.526 2.306 -4.591 792 2HG MET 109 1HG MET 109 10.545 3.757 -4.395 793 1HE MET 109 1HE MET 109 14.451 3.317 -4.009 794 2HE MET 109 2HE MET 109 14.990 3.743 -5.634 795 3HE MET 109 3HE MET 109 14.024 2.288 -5.377 796 H LYS 110 H LYS 110 12.103 2.214 0.211 797 HA LYS 110 HA LYS 110 13.403 -0.195 -0.393 798 1HB LYS 110 2HB LYS 110 13.430 -0.472 2.170 799 2HB LYS 110 1HB LYS 110 14.318 0.866 1.455 800 1HG LYS 110 2HG LYS 110 13.304 1.961 3.156 801 2HG LYS 110 1HG LYS 110 12.009 2.098 1.964 802 1HD LYS 110 2HD LYS 110 10.670 0.614 3.050 803 2HD LYS 110 1HD LYS 110 12.029 -0.341 3.646 804 1HE LYS 110 2HE LYS 110 11.162 2.350 4.702 805 2HE LYS 110 1HE LYS 110 10.847 0.792 5.468 806 1HZ LYS 110 1HZ LYS 110 13.487 2.083 5.039 807 2HZ LYS 110 2HZ LYS 110 13.307 0.477 5.557 808 3HZ LYS 110 3HZ LYS 110 12.733 1.751 6.522 809 H THR 111 H THR 111 10.354 0.438 1.150 810 HA THR 111 HA THR 111 9.484 -2.083 1.754 811 HB THR 111 HB THR 111 8.492 0.526 1.634 812 HG1 THR 111 1HG THR 111 7.723 -0.248 3.415 813 1HG2 THR 111 1HG2 THR 111 7.240 0.155 -0.393 814 2HG2 THR 111 2HG2 THR 111 6.098 0.096 0.954 815 3HG2 THR 111 3HG2 THR 111 6.648 -1.401 0.204 816 H ILE 112 H ILE 112 10.155 -0.876 -1.417 817 HA ILE 112 HA ILE 112 8.270 -2.733 -2.643 818 HB ILE 112 HB ILE 112 9.934 -0.538 -3.709 819 1HG1 ILE 112 2HG1 ILE 112 7.596 -0.462 -5.058 820 2HG1 ILE 112 1HG1 ILE 112 7.087 -1.261 -3.573 821 1HG2 ILE 112 1HG2 ILE 112 8.988 -2.871 -5.314 822 2HG2 ILE 112 2HG2 ILE 112 10.629 -2.243 -5.183 823 3HG2 ILE 112 3HG2 ILE 112 9.394 -1.314 -6.034 824 1HD1 ILE 112 1HD1 ILE 112 8.084 0.620 -2.298 825 2HD1 ILE 112 2HD1 ILE 112 6.735 1.080 -3.333 826 3HD1 ILE 112 3HD1 ILE 112 8.389 1.433 -3.832 827 H ASP 113 H ASP 113 11.717 -2.110 -2.204 828 HA ASP 113 HA ASP 113 12.735 -4.277 -3.646 829 1HB ASP 113 2HB ASP 113 13.725 -2.464 -1.586 830 2HB ASP 113 1HB ASP 113 14.420 -4.076 -1.445 831 H VAL 114 H VAL 114 11.448 -4.160 -0.340 832 HA VAL 114 HA VAL 114 12.088 -6.933 0.099 833 HB VAL 114 HB VAL 114 10.673 -6.695 2.167 834 1HG1 VAL 114 1HG1 VAL 114 12.859 -4.649 1.939 835 2HG1 VAL 114 2HG1 VAL 114 13.157 -6.386 2.045 836 3HG1 VAL 114 3HG1 VAL 114 12.362 -5.544 3.377 837 1HG2 VAL 114 1HG2 VAL 114 10.719 -3.831 1.390 838 2HG2 VAL 114 2HG2 VAL 114 10.087 -4.471 2.899 839 3HG2 VAL 114 3HG2 VAL 114 9.283 -4.841 1.369 840 H ALA 115 H ALA 115 9.268 -5.037 -0.824 841 HA ALA 115 HA ALA 115 7.321 -7.025 -0.577 842 1HB ALA 115 1HB ALA 115 7.005 -4.585 -0.944 843 2HB ALA 115 2HB ALA 115 5.931 -5.641 -1.864 844 3HB ALA 115 3HB ALA 115 7.309 -4.872 -2.657 845 H MET 116 H MET 116 9.259 -6.126 -3.446 846 HA MET 116 HA MET 116 8.116 -8.261 -4.974 847 1HB MET 116 2HB MET 116 9.800 -7.742 -6.705 848 2HB MET 116 1HB MET 116 8.863 -6.349 -6.210 849 1HG MET 116 2HG MET 116 11.098 -5.664 -6.549 850 2HG MET 116 1HG MET 116 10.796 -5.622 -4.820 851 1HE MET 116 1HE MET 116 13.438 -5.381 -4.569 852 2HE MET 116 2HE MET 116 13.728 -5.594 -6.296 853 3HE MET 116 3HE MET 116 14.599 -6.586 -5.126 854 H CYS 117 H CYS 117 10.695 -8.018 -2.760 855 HA CYS 117 HA CYS 117 12.003 -10.447 -3.462 856 1HB CYS 117 2HB CYS 117 12.863 -8.513 -2.044 857 2HB CYS 117 1HB CYS 117 11.892 -9.165 -0.732 858 H PHE 118 H PHE 118 9.127 -9.602 -1.700 859 HA PHE 118 HA PHE 118 8.935 -12.152 -0.406 860 1HB PHE 118 2HB PHE 118 8.011 -10.227 0.715 861 2HB PHE 118 1HB PHE 118 6.920 -9.911 -0.630 862 HD1 PHE 118 1HD PHE 118 7.766 -12.457 1.938 863 HD2 PHE 118 2HD PHE 118 4.782 -10.838 -0.627 864 HE1 PHE 118 1HE PHE 118 6.076 -13.884 3.015 865 HE2 PHE 118 2HE PHE 118 3.085 -12.263 0.445 866 HZ PHE 118 HZ PHE 118 3.731 -13.787 2.269 867 H LYS 119 H LYS 119 7.285 -10.630 -3.238 868 HA LYS 119 HA LYS 119 5.693 -12.962 -3.622 869 1HB LYS 119 2HB LYS 119 4.679 -11.939 -5.355 870 2HB LYS 119 1HB LYS 119 5.414 -10.519 -4.654 871 1HG LYS 119 2HG LYS 119 6.682 -12.104 -6.875 872 2HG LYS 119 1HG LYS 119 5.599 -10.737 -7.150 873 1HD LYS 119 2HD LYS 119 7.093 -9.284 -5.921 874 2HD LYS 119 1HD LYS 119 8.153 -10.645 -5.565 875 1HE LYS 119 2HE LYS 119 7.537 -9.620 -8.333 876 2HE LYS 119 1HE LYS 119 8.960 -9.205 -7.384 877 1HZ LYS 119 1HZ LYS 119 8.298 -11.997 -8.122 878 2HZ LYS 119 2HZ LYS 119 9.757 -11.396 -7.496 879 3HZ LYS 119 3HZ LYS 119 9.282 -10.990 -9.065 880 H LYS 120 H LYS 120 8.947 -12.062 -4.723 881 HA LYS 120 HA LYS 120 9.267 -14.199 -6.511 882 1HB LYS 120 2HB LYS 120 10.918 -12.524 -6.448 883 2HB LYS 120 1HB LYS 120 11.129 -12.677 -4.715 884 1HG LYS 120 2HG LYS 120 11.778 -15.077 -6.284 885 2HG LYS 120 1HG LYS 120 12.826 -13.677 -6.537 886 1HD LYS 120 2HD LYS 120 12.316 -15.238 -4.040 887 2HD LYS 120 1HD LYS 120 13.856 -14.760 -4.763 888 1HE LYS 120 2HE LYS 120 12.950 -12.338 -4.272 889 2HE LYS 120 1HE LYS 120 11.947 -13.184 -3.107 890 1HZ LYS 120 1HZ LYS 120 14.908 -13.396 -3.175 891 2HZ LYS 120 2HZ LYS 120 13.861 -14.040 -2.000 892 3HZ LYS 120 3HZ LYS 120 14.041 -12.363 -2.150 893 H GLU 121 H GLU 121 9.991 -14.017 -3.003 894 HA GLU 121 HA GLU 121 10.408 -16.724 -2.556 895 1HB GLU 121 2HB GLU 121 10.014 -14.377 -0.980 896 2HB GLU 121 1HB GLU 121 9.062 -15.686 -0.291 897 1HG GLU 121 2HG GLU 121 11.274 -15.573 0.700 898 2HG GLU 121 1HG GLU 121 11.035 -17.084 -0.171 899 H ILE 122 H ILE 122 7.244 -14.992 -2.301 900 HA ILE 122 HA ILE 122 5.677 -17.129 -1.579 901 HB ILE 122 HB ILE 122 5.206 -14.539 -2.059 902 1HG1 ILE 122 2HG1 ILE 122 3.907 -16.183 -0.676 903 2HG1 ILE 122 1HG1 ILE 122 2.955 -14.950 -1.482 904 1HG2 ILE 122 1HG2 ILE 122 3.306 -14.849 -3.904 905 2HG2 ILE 122 2HG2 ILE 122 4.506 -15.955 -4.540 906 3HG2 ILE 122 3HG2 ILE 122 4.915 -14.262 -4.265 907 1HD1 ILE 122 1HD1 ILE 122 2.302 -16.571 -3.189 908 2HD1 ILE 122 2HD1 ILE 122 1.862 -17.116 -1.570 909 3HD1 ILE 122 3HD1 ILE 122 3.270 -17.803 -2.380 910 H HIS 123 H HIS 123 6.819 -16.238 -4.821 911 HA HIS 123 HA HIS 123 5.304 -18.218 -6.167 912 1HB HIS 123 2HB HIS 123 7.703 -16.576 -6.918 913 2HB HIS 123 1HB HIS 123 7.188 -17.897 -7.958 914 HD1 HIS 123 1HD HIS 123 6.405 -16.445 -9.886 915 HD2 HIS 123 2HD HIS 123 4.594 -15.489 -6.275 916 HE1 HIS 123 1HE HIS 123 4.578 -14.826 -10.459 917 HE2 HIS 123 2HE HIS 123 3.615 -14.114 -8.241 918 H LYS 124 H LYS 124 8.441 -18.206 -4.617 919 HA LYS 124 HA LYS 124 9.394 -20.703 -5.515 920 1HB LYS 124 2HB LYS 124 10.958 -19.231 -4.574 921 2HB LYS 124 1HB LYS 124 9.944 -18.893 -3.185 922 1HG LYS 124 2HG LYS 124 10.377 -21.221 -2.399 923 2HG LYS 124 1HG LYS 124 11.546 -21.378 -3.716 924 1HD LYS 124 2HD LYS 124 12.881 -19.611 -2.854 925 2HD LYS 124 1HD LYS 124 11.637 -19.158 -1.688 926 1HE LYS 124 2HE LYS 124 11.953 -21.322 -0.554 927 2HE LYS 124 1HE LYS 124 13.233 -21.717 -1.701 928 1HZ LYS 124 1HZ LYS 124 14.496 -19.830 -0.913 929 2HZ LYS 124 2HZ LYS 124 14.109 -20.844 0.391 930 3HZ LYS 124 3HZ LYS 124 13.255 -19.401 0.159 931 H LEU 125 H LEU 125 7.188 -19.712 -3.010 932 HA LEU 125 HA LEU 125 6.990 -22.209 -1.666 933 1HB LEU 125 2HB LEU 125 4.993 -19.953 -1.840 934 2HB LEU 125 1HB LEU 125 4.928 -21.281 -0.699 935 HG LEU 125 HG LEU 125 7.108 -19.195 -0.821 936 1HD1 LEU 125 1HD1 LEU 125 6.145 -18.395 1.280 937 2HD1 LEU 125 2HD1 LEU 125 4.841 -19.574 1.132 938 3HD1 LEU 125 3HD1 LEU 125 4.992 -18.271 -0.048 939 1HD2 LEU 125 1HD2 LEU 125 7.907 -21.362 -0.017 940 2HD2 LEU 125 2HD2 LEU 125 6.605 -21.404 1.171 941 3HD2 LEU 125 3HD2 LEU 125 7.860 -20.170 1.282 942 H ASN 126 H ASN 126 6.186 -21.536 -4.779 943 HA ASN 126 HA ASN 126 5.162 -22.735 -6.382 944 1HB ASN 126 2HB ASN 126 4.500 -24.622 -4.126 945 2HB ASN 126 1HB ASN 126 4.080 -24.930 -5.806 946 1HD2 ASN 126 1HD2 ASN 126 6.622 -24.782 -3.464 947 2HD2 ASN 126 2HD2 ASN 126 7.856 -25.474 -4.459 948 H TRP 127 H TRP 127 3.046 -22.763 -3.496 949 HA TRP 127 HA TRP 127 0.655 -22.708 -5.015 950 1HB TRP 127 2HB TRP 127 0.725 -21.642 -2.224 951 2HB TRP 127 1HB TRP 127 -0.472 -22.676 -3.000 952 HD1 TRP 127 HD TRP 127 1.089 -25.145 -3.866 953 HE1 TRP 127 1HE TRP 127 2.311 -26.663 -2.195 954 HE3 TRP 127 3HE TRP 127 1.520 -21.870 0.031 955 HZ2 TRP 127 2HZ TRP 127 3.299 -26.507 0.446 956 HZ3 TRP 127 3HZ TRP 127 2.613 -22.635 2.097 957 HH2 TRP 127 HH TRP 127 3.483 -24.907 2.299 958 H VAL 128 H VAL 128 0.873 -21.033 -6.507 959 HA VAL 128 HA VAL 128 -0.244 -18.558 -5.601 960 HB VAL 128 HB VAL 128 2.089 -18.045 -5.154 961 1HG1 VAL 128 1HG1 VAL 128 2.616 -18.738 -8.039 962 2HG1 VAL 128 2HG1 VAL 128 3.161 -19.644 -6.628 963 3HG1 VAL 128 3HG1 VAL 128 3.779 -18.020 -6.924 964 1HG2 VAL 128 1HG2 VAL 128 0.705 -16.234 -5.997 965 2HG2 VAL 128 2HG2 VAL 128 1.127 -16.663 -7.655 966 3HG2 VAL 128 3HG2 VAL 128 2.369 -16.059 -6.557 967 HA PRO 129 HA PRO 129 -2.010 -19.231 -9.618 968 1HB PRO 129 2HB PRO 129 -3.269 -16.613 -9.330 969 2HB PRO 129 1HB PRO 129 -4.010 -18.214 -9.321 970 1HG PRO 129 2HG PRO 129 -3.861 -16.677 -7.106 971 2HG PRO 129 1HG PRO 129 -3.799 -18.448 -7.044 972 1HD PRO 129 2HD PRO 129 -1.552 -16.467 -6.900 973 2HD PRO 129 1HD PRO 129 -1.821 -17.936 -5.936 974 H ASN 130 H ASN 130 0.623 -18.182 -9.706 975 HA ASN 130 HA ASN 130 0.483 -16.892 -12.262 976 1HB ASN 130 2HB ASN 130 0.319 -14.927 -10.761 977 2HB ASN 130 1HB ASN 130 1.821 -15.411 -9.980 978 1HD2 ASN 130 1HD2 ASN 130 0.388 -14.077 -12.855 979 2HD2 ASN 130 2HD2 ASN 130 1.860 -13.514 -13.566 980 H MET 131 H MET 131 2.207 -17.453 -13.473 981 HA MET 131 HA MET 131 3.836 -19.556 -12.728 982 1HB MET 131 2HB MET 131 3.304 -18.892 -15.048 983 2HB MET 131 1HB MET 131 4.358 -17.495 -14.872 984 1HG MET 131 2HG MET 131 6.250 -19.027 -14.459 985 2HG MET 131 1HG MET 131 5.164 -20.378 -14.758 986 1HE MET 131 1HE MET 131 6.884 -21.286 -16.574 987 2HE MET 131 2HE MET 131 7.944 -19.902 -16.306 988 3HE MET 131 3HE MET 131 7.456 -20.335 -17.945 989 H ASP 132 H ASP 132 5.768 -19.769 -11.787 990 HA ASP 132 HA ASP 132 7.083 -17.416 -10.732 991 1HB ASP 132 2HB ASP 132 8.515 -18.918 -9.529 992 2HB ASP 132 1HB ASP 132 6.879 -19.556 -9.418 993 H LEU 133 H LEU 133 8.792 -16.435 -11.585 994 HA LEU 133 HA LEU 133 10.644 -17.778 -13.313 995 1HB LEU 133 2HB LEU 133 8.588 -17.115 -14.742 996 2HB LEU 133 1HB LEU 133 9.150 -15.469 -14.541 997 HG LEU 133 HG LEU 133 9.806 -16.560 -16.701 998 1HD1 LEU 133 1HD1 LEU 133 11.024 -14.624 -15.874 999 2HD1 LEU 133 2HD1 LEU 133 12.106 -15.749 -16.696 1000 3HD1 LEU 133 3HD1 LEU 133 12.082 -15.677 -14.933 1001 1HD2 LEU 133 1HD2 LEU 133 11.657 -18.158 -16.672 1002 2HD2 LEU 133 2HD2 LEU 133 10.225 -18.799 -15.867 1003 3HD2 LEU 133 3HD2 LEU 133 11.583 -18.207 -14.911 1004 H VAL 134 H VAL 134 12.396 -17.088 -12.299 1005 HA VAL 134 HA VAL 134 12.769 -14.180 -12.052 1006 HB VAL 134 HB VAL 134 12.586 -15.256 -9.823 1007 1HG1 VAL 134 1HG1 VAL 134 13.444 -17.459 -10.365 1008 2HG1 VAL 134 2HG1 VAL 134 14.359 -16.749 -9.034 1009 3HG1 VAL 134 3HG1 VAL 134 15.047 -16.782 -10.658 1010 1HG2 VAL 134 1HG2 VAL 134 15.335 -14.203 -10.482 1011 2HG2 VAL 134 2HG2 VAL 134 14.650 -14.325 -8.863 1012 3HG2 VAL 134 3HG2 VAL 134 13.920 -13.241 -10.048 1013 H ILE 135 H ILE 135 14.852 -13.405 -12.636 1014 HA ILE 135 HA ILE 135 16.259 -15.241 -14.424 1015 HB ILE 135 HB ILE 135 16.457 -12.231 -14.167 1016 1HG1 ILE 135 2HG1 ILE 135 15.629 -12.424 -16.606 1017 2HG1 ILE 135 1HG1 ILE 135 15.169 -14.068 -16.182 1018 1HG2 ILE 135 1HG2 ILE 135 17.912 -12.317 -16.136 1019 2HG2 ILE 135 2HG2 ILE 135 17.882 -14.078 -16.075 1020 3HG2 ILE 135 3HG2 ILE 135 18.621 -13.164 -14.761 1021 1HD1 ILE 135 1HD1 ILE 135 13.696 -13.199 -14.437 1022 2HD1 ILE 135 2HD1 ILE 135 13.281 -12.558 -16.028 1023 3HD1 ILE 135 3HD1 ILE 135 14.155 -11.554 -14.872 1024 H GLY 136 H GLY 136 17.761 -16.386 -13.411 1025 1HA GLY 136 2HA GLY 136 19.258 -15.426 -11.172 1026 2HA GLY 136 1HA GLY 136 19.560 -16.908 -12.072 1027 H GLU 137 H GLU 137 20.232 -13.507 -11.833 1028 HA GLU 137 HA GLU 137 21.758 -13.175 -14.157 1029 1HB GLU 137 2HB GLU 137 20.942 -11.290 -12.807 1030 2HB GLU 137 1HB GLU 137 22.035 -11.747 -11.507 1031 1HG GLU 137 2HG GLU 137 23.922 -11.430 -13.158 1032 2HG GLU 137 1HG GLU 137 22.734 -10.682 -14.223 1033 H VAL 138 H VAL 138 23.825 -13.533 -14.665 1034 HA VAL 138 HA VAL 138 25.696 -14.298 -12.547 1035 HB VAL 138 HB VAL 138 26.746 -15.947 -14.202 1036 1HG1 VAL 138 1HG1 VAL 138 25.617 -16.640 -12.163 1037 2HG1 VAL 138 2HG1 VAL 138 25.276 -17.767 -13.477 1038 3HG1 VAL 138 3HG1 VAL 138 24.059 -16.587 -12.989 1039 1HG2 VAL 138 1HG2 VAL 138 23.985 -15.786 -15.419 1040 2HG2 VAL 138 2HG2 VAL 138 25.217 -16.988 -15.807 1041 3HG2 VAL 138 3HG2 VAL 138 25.492 -15.290 -16.191 1042 H LEU 139 H LEU 139 26.689 -12.343 -12.617 1043 HA LEU 139 HA LEU 139 27.633 -11.181 -15.067 1044 1HB LEU 139 2HB LEU 139 27.039 -9.995 -12.852 1045 2HB LEU 139 1HB LEU 139 28.615 -10.513 -12.297 1046 HG LEU 139 HG LEU 139 28.240 -8.810 -14.761 1047 1HD1 LEU 139 1HD1 LEU 139 28.780 -7.934 -11.927 1048 2HD1 LEU 139 2HD1 LEU 139 27.303 -7.637 -12.842 1049 3HD1 LEU 139 3HD1 LEU 139 28.822 -6.896 -13.352 1050 1HD2 LEU 139 1HD2 LEU 139 30.623 -9.323 -12.984 1051 2HD2 LEU 139 2HD2 LEU 139 30.587 -8.233 -14.370 1052 3HD2 LEU 139 3HD2 LEU 139 30.383 -9.969 -14.606 1053 H ALA 140 H ALA 140 28.973 -12.560 -16.121 1054 HA ALA 140 HA ALA 140 30.982 -14.116 -14.842 1055 1HB ALA 140 1HB ALA 140 29.943 -14.792 -16.956 1056 2HB ALA 140 2HB ALA 140 31.698 -14.694 -17.099 1057 3HB ALA 140 3HB ALA 140 30.686 -13.410 -17.761 1058 H GLU 141 H GLU 141 33.116 -13.728 -14.540 1059 HA GLU 141 HA GLU 141 34.147 -11.118 -15.443 1060 1HB GLU 141 2HB GLU 141 34.623 -12.484 -12.788 1061 2HB GLU 141 1HB GLU 141 35.471 -11.044 -13.334 1062 1HG GLU 141 2HG GLU 141 33.321 -9.853 -13.449 1063 2HG GLU 141 1HG GLU 141 32.518 -11.290 -12.818 1064 H VAL 142 H VAL 142 36.630 -11.087 -15.224 1065 HA VAL 142 HA VAL 142 37.623 -13.458 -16.607 1066 HB VAL 142 HB VAL 142 38.965 -10.781 -16.173 1067 1HG1 VAL 142 1HG1 VAL 142 40.574 -12.578 -16.488 1068 2HG1 VAL 142 2HG1 VAL 142 40.532 -11.530 -17.906 1069 3HG1 VAL 142 3HG1 VAL 142 39.729 -13.101 -17.944 1070 1HG2 VAL 142 1HG2 VAL 142 37.576 -11.887 -18.613 1071 2HG2 VAL 142 2HG2 VAL 142 38.445 -10.355 -18.525 1072 3HG2 VAL 142 3HG2 VAL 142 36.978 -10.591 -17.577 Start of MODEL 19 1 1H SER 1 1HT SER 1 -6.052 -17.744 -0.948 2 2H SER 1 2HT SER 1 -7.592 -17.094 -0.692 3 3H SER 1 3HT SER 1 -6.311 -16.659 0.326 4 HA SER 1 HA SER 1 -5.168 -15.624 -1.523 5 1HB SER 1 2HB SER 1 -7.713 -16.067 -3.096 6 2HB SER 1 1HB SER 1 -6.192 -15.389 -3.674 7 HG SER 1 HG SER 1 -5.219 -17.433 -3.326 8 HA PRO 2 HA PRO 2 -8.820 -12.392 -1.484 9 1HB PRO 2 2HB PRO 2 -10.812 -13.737 0.256 10 2HB PRO 2 1HB PRO 2 -11.054 -12.763 -1.198 11 1HG PRO 2 2HG PRO 2 -11.342 -15.397 -1.290 12 2HG PRO 2 1HG PRO 2 -10.554 -14.527 -2.622 13 1HD PRO 2 2HD PRO 2 -9.313 -16.117 -0.403 14 2HD PRO 2 1HD PRO 2 -8.904 -16.086 -2.131 15 H GLU 3 H GLU 3 -7.886 -14.276 1.271 16 HA GLU 3 HA GLU 3 -8.574 -12.810 3.457 17 1HB GLU 3 2HB GLU 3 -5.782 -13.893 3.042 18 2HB GLU 3 1HB GLU 3 -6.564 -13.567 4.580 19 1HG GLU 3 2HG GLU 3 -6.659 -15.881 4.335 20 2HG GLU 3 1HG GLU 3 -8.274 -15.322 3.897 21 H ILE 4 H ILE 4 -5.337 -12.342 2.032 22 HA ILE 4 HA ILE 4 -5.339 -9.631 2.987 23 HB ILE 4 HB ILE 4 -3.330 -11.171 3.083 24 1HG1 ILE 4 2HG1 ILE 4 -1.735 -9.364 2.721 25 2HG1 ILE 4 1HG1 ILE 4 -2.907 -8.497 1.734 26 1HG2 ILE 4 1HG2 ILE 4 -3.358 -12.100 0.869 27 2HG2 ILE 4 2HG2 ILE 4 -1.874 -11.171 1.070 28 3HG2 ILE 4 3HG2 ILE 4 -3.217 -10.497 0.150 29 1HD1 ILE 4 1HD1 ILE 4 -3.236 -9.123 4.662 30 2HD1 ILE 4 2HD1 ILE 4 -4.328 -8.166 3.660 31 3HD1 ILE 4 3HD1 ILE 4 -2.700 -7.579 3.998 32 H MET 5 H MET 5 -6.440 -11.103 0.214 33 HA MET 5 HA MET 5 -5.522 -9.369 -1.813 34 1HB MET 5 2HB MET 5 -6.472 -11.644 -2.182 35 2HB MET 5 1HB MET 5 -8.054 -11.017 -1.754 36 1HG MET 5 2HG MET 5 -6.523 -9.748 -3.976 37 2HG MET 5 1HG MET 5 -7.371 -11.269 -4.248 38 1HE MET 5 1HE MET 5 -11.087 -10.302 -3.542 39 2HE MET 5 2HE MET 5 -9.929 -11.030 -2.429 40 3HE MET 5 3HE MET 5 -9.990 -11.562 -4.110 41 H LYS 6 H LYS 6 -8.319 -9.286 0.342 42 HA LYS 6 HA LYS 6 -9.315 -6.879 -0.946 43 1HB LYS 6 2HB LYS 6 -10.298 -8.372 1.494 44 2HB LYS 6 1HB LYS 6 -11.065 -6.934 0.834 45 1HG LYS 6 2HG LYS 6 -11.310 -8.205 -1.330 46 2HG LYS 6 1HG LYS 6 -10.816 -9.643 -0.438 47 1HD LYS 6 2HD LYS 6 -13.136 -9.749 -0.356 48 2HD LYS 6 1HD LYS 6 -12.718 -9.011 1.189 49 1HE LYS 6 2HE LYS 6 -13.500 -7.432 -1.257 50 2HE LYS 6 1HE LYS 6 -14.647 -7.953 -0.029 51 1HZ LYS 6 1HZ LYS 6 -13.385 -6.686 1.615 52 2HZ LYS 6 2HZ LYS 6 -13.955 -5.693 0.366 53 3HZ LYS 6 3HZ LYS 6 -12.325 -6.148 0.403 54 H ASN 7 H ASN 7 -7.929 -5.247 -0.644 55 HA ASN 7 HA ASN 7 -6.414 -4.816 1.706 56 1HB ASN 7 2HB ASN 7 -7.095 -2.821 -0.464 57 2HB ASN 7 1HB ASN 7 -5.783 -2.683 0.703 58 1HD2 ASN 7 1HD2 ASN 7 -3.970 -4.027 0.483 59 2HD2 ASN 7 2HD2 ASN 7 -3.615 -4.827 -1.004 60 H LEU 8 H LEU 8 -6.712 -3.492 3.425 61 HA LEU 8 HA LEU 8 -9.286 -2.887 4.309 62 1HB LEU 8 2HB LEU 8 -6.597 -1.842 5.174 63 2HB LEU 8 1HB LEU 8 -8.083 -1.376 5.972 64 HG LEU 8 HG LEU 8 -8.476 -3.834 6.436 65 1HD1 LEU 8 1HD1 LEU 8 -6.520 -5.297 6.403 66 2HD1 LEU 8 2HD1 LEU 8 -5.585 -4.033 5.606 67 3HD1 LEU 8 3HD1 LEU 8 -6.959 -4.769 4.780 68 1HD2 LEU 8 1HD2 LEU 8 -7.711 -2.272 8.135 69 2HD2 LEU 8 2HD2 LEU 8 -6.040 -2.524 7.631 70 3HD2 LEU 8 3HD2 LEU 8 -6.956 -3.851 8.346 71 H SER 9 H SER 9 -6.899 -0.872 2.668 72 HA SER 9 HA SER 9 -8.146 1.607 2.913 73 1HB SER 9 2HB SER 9 -6.620 0.680 0.475 74 2HB SER 9 1HB SER 9 -6.723 2.314 1.131 75 HG SER 9 HG SER 9 -4.778 1.477 1.792 76 H ASN 10 H ASN 10 -8.705 -1.041 0.688 77 HA ASN 10 HA ASN 10 -10.502 0.387 -1.026 78 1HB ASN 10 2HB ASN 10 -9.231 -1.480 -1.903 79 2HB ASN 10 1HB ASN 10 -9.921 -2.565 -0.703 80 1HD2 ASN 10 1HD2 ASN 10 -10.486 -0.828 -3.660 81 2HD2 ASN 10 2HD2 ASN 10 -11.929 -1.671 -4.109 82 H ASN 11 H ASN 11 -10.793 -1.699 1.781 83 HA ASN 11 HA ASN 11 -13.626 -1.949 1.734 84 1HB ASN 11 2HB ASN 11 -11.477 -2.392 3.761 85 2HB ASN 11 1HB ASN 11 -13.137 -2.267 4.329 86 1HD2 ASN 11 1HD2 ASN 11 -14.532 -3.908 3.981 87 2HD2 ASN 11 2HD2 ASN 11 -14.076 -5.425 3.276 88 H PHE 12 H PHE 12 -11.501 0.011 3.796 89 HA PHE 12 HA PHE 12 -13.384 1.665 4.923 90 1HB PHE 12 2HB PHE 12 -10.513 2.139 4.218 91 2HB PHE 12 1HB PHE 12 -11.478 3.420 4.944 92 HD1 PHE 12 1HD PHE 12 -9.503 0.529 5.556 93 HD2 PHE 12 2HD PHE 12 -12.662 2.887 7.148 94 HE1 PHE 12 1HE PHE 12 -9.080 -0.420 7.786 95 HE2 PHE 12 2HE PHE 12 -12.247 1.944 9.382 96 HZ PHE 12 HZ PHE 12 -10.454 0.287 9.703 97 H GLY 13 H GLY 13 -11.384 2.954 2.167 98 1HA GLY 13 2HA GLY 13 -11.844 4.762 0.835 99 2HA GLY 13 1HA GLY 13 -13.444 4.048 0.697 100 H LYS 14 H LYS 14 -11.955 5.368 3.635 101 HA LYS 14 HA LYS 14 -14.332 6.927 4.116 102 1HB LYS 14 2HB LYS 14 -13.277 5.615 5.917 103 2HB LYS 14 1HB LYS 14 -11.814 6.574 5.756 104 1HG LYS 14 2HG LYS 14 -13.157 8.586 6.371 105 2HG LYS 14 1HG LYS 14 -14.509 7.503 6.713 106 1HD LYS 14 2HD LYS 14 -13.098 6.304 8.343 107 2HD LYS 14 1HD LYS 14 -11.799 7.457 8.037 108 1HE LYS 14 2HE LYS 14 -12.927 8.129 10.033 109 2HE LYS 14 1HE LYS 14 -13.340 9.278 8.761 110 1HZ LYS 14 1HZ LYS 14 -15.455 8.204 8.473 111 2HZ LYS 14 2HZ LYS 14 -15.259 8.594 10.113 112 3HZ LYS 14 3HZ LYS 14 -15.046 6.997 9.591 113 H ALA 15 H ALA 15 -10.913 7.456 3.465 114 HA ALA 15 HA ALA 15 -11.471 10.237 2.799 115 1HB ALA 15 1HB ALA 15 -9.502 10.977 4.151 116 2HB ALA 15 2HB ALA 15 -9.467 9.376 4.881 117 3HB ALA 15 3HB ALA 15 -10.869 10.420 5.111 118 H MET 16 H MET 16 -11.098 8.659 0.813 119 HA MET 16 HA MET 16 -8.396 7.976 0.245 120 1HB MET 16 2HB MET 16 -10.299 6.832 -0.823 121 2HB MET 16 1HB MET 16 -10.693 8.317 -1.680 122 1HG MET 16 2HG MET 16 -9.475 6.755 -3.103 123 2HG MET 16 1HG MET 16 -8.560 8.240 -2.840 124 1HE MET 16 1HE MET 16 -6.193 7.362 -3.462 125 2HE MET 16 2HE MET 16 -7.000 5.905 -4.038 126 3HE MET 16 3HE MET 16 -5.586 5.775 -2.991 127 H ASP 17 H ASP 17 -10.470 10.688 -0.531 128 HA ASP 17 HA ASP 17 -8.848 11.982 -2.410 129 1HB ASP 17 2HB ASP 17 -11.204 12.553 -2.077 130 2HB ASP 17 1HB ASP 17 -10.825 13.188 -0.478 131 H GLN 18 H GLN 18 -8.654 11.882 1.054 132 HA GLN 18 HA GLN 18 -6.969 14.241 1.056 133 1HB GLN 18 2HB GLN 18 -8.201 12.622 3.250 134 2HB GLN 18 1HB GLN 18 -6.923 13.788 3.585 135 1HG GLN 18 2HG GLN 18 -8.451 15.377 2.157 136 2HG GLN 18 1HG GLN 18 -9.711 14.251 2.647 137 1HE2 GLN 18 1HE2 GLN 18 -10.751 15.776 3.921 138 2HE2 GLN 18 2HE2 GLN 18 -10.101 16.312 5.436 139 H CYS 19 H CYS 19 -6.581 10.780 1.175 140 HA CYS 19 HA CYS 19 -3.802 10.961 1.840 141 1HB CYS 19 2HB CYS 19 -5.469 8.783 0.642 142 2HB CYS 19 1HB CYS 19 -3.720 8.654 0.698 143 H LYS 20 H LYS 20 -5.741 11.127 -1.027 144 HA LYS 20 HA LYS 20 -3.744 11.100 -2.961 145 1HB LYS 20 2HB LYS 20 -5.972 10.870 -3.697 146 2HB LYS 20 1HB LYS 20 -6.495 12.285 -2.812 147 1HG LYS 20 2HG LYS 20 -6.554 12.773 -5.138 148 2HG LYS 20 1HG LYS 20 -5.244 13.700 -4.408 149 1HD LYS 20 2HD LYS 20 -3.603 12.225 -5.302 150 2HD LYS 20 1HD LYS 20 -4.828 11.064 -5.819 151 1HE LYS 20 2HE LYS 20 -3.964 12.406 -7.687 152 2HE LYS 20 1HE LYS 20 -5.691 12.645 -7.433 153 1HZ LYS 20 1HZ LYS 20 -4.399 14.710 -7.856 154 2HZ LYS 20 2HZ LYS 20 -3.618 14.482 -6.371 155 3HZ LYS 20 3HZ LYS 20 -5.292 14.735 -6.416 156 H ASP 21 H ASP 21 -5.203 13.781 -1.183 157 HA ASP 21 HA ASP 21 -3.601 15.785 -2.421 158 1HB ASP 21 2HB ASP 21 -5.805 16.279 -1.447 159 2HB ASP 21 1HB ASP 21 -5.178 15.905 0.157 160 H GLU 22 H GLU 22 -3.344 13.953 0.581 161 HA GLU 22 HA GLU 22 -1.377 15.502 1.846 162 1HB GLU 22 2HB GLU 22 -2.777 13.570 2.793 163 2HB GLU 22 1HB GLU 22 -1.559 12.510 2.096 164 1HG GLU 22 2HG GLU 22 -0.798 12.713 4.237 165 2HG GLU 22 1HG GLU 22 0.092 14.011 3.442 166 H LEU 23 H LEU 23 -1.103 12.767 -0.393 167 HA LEU 23 HA LEU 23 1.795 12.891 -0.313 168 1HB LEU 23 2HB LEU 23 -0.063 11.215 -2.000 169 2HB LEU 23 1HB LEU 23 1.683 11.048 -1.953 170 HG LEU 23 HG LEU 23 -0.326 10.364 0.160 171 1HD1 LEU 23 1HD1 LEU 23 0.334 8.637 -1.434 172 2HD1 LEU 23 2HD1 LEU 23 0.914 8.267 0.189 173 3HD1 LEU 23 3HD1 LEU 23 2.028 8.901 -1.023 174 1HD2 LEU 23 1HD2 LEU 23 1.613 11.892 0.891 175 2HD2 LEU 23 2HD2 LEU 23 2.601 10.431 0.730 176 3HD2 LEU 23 3HD2 LEU 23 1.232 10.456 1.848 177 H SER 24 H SER 24 -0.622 14.497 -1.854 178 HA SER 24 HA SER 24 -0.852 15.751 -3.732 179 1HB SER 24 2HB SER 24 1.184 16.850 -2.732 180 2HB SER 24 1HB SER 24 2.181 15.802 -3.739 181 HG SER 24 HG SER 24 1.904 17.182 -5.280 182 H LEU 25 H LEU 25 -1.053 13.059 -4.032 183 HA LEU 25 HA LEU 25 0.583 11.719 -5.819 184 1HB LEU 25 2HB LEU 25 -2.387 11.571 -5.395 185 2HB LEU 25 1HB LEU 25 -1.595 10.569 -6.583 186 HG LEU 25 HG LEU 25 -1.262 10.437 -3.576 187 1HD1 LEU 25 1HD1 LEU 25 -3.207 9.398 -4.842 188 2HD1 LEU 25 2HD1 LEU 25 -2.285 8.368 -3.749 189 3HD1 LEU 25 3HD1 LEU 25 -2.017 8.273 -5.490 190 1HD2 LEU 25 1HD2 LEU 25 0.388 8.745 -3.902 191 2HD2 LEU 25 2HD2 LEU 25 0.924 10.192 -4.756 192 3HD2 LEU 25 3HD2 LEU 25 0.223 8.845 -5.655 193 HA PRO 26 HA PRO 26 -0.226 14.030 -9.625 194 1HB PRO 26 2HB PRO 26 1.728 12.143 -10.736 195 2HB PRO 26 1HB PRO 26 1.810 13.904 -10.639 196 1HG PRO 26 2HG PRO 26 3.387 12.322 -9.137 197 2HG PRO 26 1HG PRO 26 2.773 13.877 -8.541 198 1HD PRO 26 2HD PRO 26 1.765 11.105 -7.988 199 2HD PRO 26 1HD PRO 26 2.010 12.453 -6.854 200 H ASP 27 H ASP 27 -1.084 13.375 -11.702 201 HA ASP 27 HA ASP 27 -3.004 11.332 -11.399 202 1HB ASP 27 2HB ASP 27 -3.670 11.843 -13.694 203 2HB ASP 27 1HB ASP 27 -3.457 13.300 -12.731 204 H SER 28 H SER 28 0.163 11.350 -12.855 205 HA SER 28 HA SER 28 -0.142 8.920 -14.281 206 1HB SER 28 2HB SER 28 2.369 10.177 -13.149 207 2HB SER 28 1HB SER 28 2.311 8.913 -14.381 208 HG SER 28 HG SER 28 0.886 10.552 -15.525 209 H VAL 29 H VAL 29 0.833 9.688 -10.984 210 HA VAL 29 HA VAL 29 1.628 7.028 -10.332 211 HB VAL 29 HB VAL 29 0.932 9.309 -8.471 212 1HG1 VAL 29 1HG1 VAL 29 2.878 7.304 -7.579 213 2HG1 VAL 29 2HG1 VAL 29 1.242 6.670 -7.800 214 3HG1 VAL 29 3HG1 VAL 29 1.517 8.036 -6.720 215 1HG2 VAL 29 1HG2 VAL 29 3.594 8.408 -9.570 216 2HG2 VAL 29 2HG2 VAL 29 3.355 9.675 -8.366 217 3HG2 VAL 29 3HG2 VAL 29 2.737 9.887 -10.004 218 H VAL 30 H VAL 30 -1.325 8.963 -9.662 219 HA VAL 30 HA VAL 30 -2.736 6.950 -8.324 220 HB VAL 30 HB VAL 30 -4.757 8.113 -8.792 221 1HG1 VAL 30 1HG1 VAL 30 -4.107 10.457 -8.241 222 2HG1 VAL 30 2HG1 VAL 30 -2.425 9.969 -8.434 223 3HG1 VAL 30 3HG1 VAL 30 -3.426 9.221 -7.188 224 1HG2 VAL 30 1HG2 VAL 30 -4.920 9.954 -10.396 225 2HG2 VAL 30 2HG2 VAL 30 -4.539 8.428 -11.192 226 3HG2 VAL 30 3HG2 VAL 30 -3.273 9.628 -10.935 227 H ALA 31 H ALA 31 -2.141 7.481 -11.719 228 HA ALA 31 HA ALA 31 -4.094 5.784 -12.816 229 1HB ALA 31 1HB ALA 31 -1.380 6.433 -13.933 230 2HB ALA 31 2HB ALA 31 -2.808 7.459 -14.088 231 3HB ALA 31 3HB ALA 31 -2.782 5.863 -14.843 232 H ASP 32 H ASP 32 -0.630 5.134 -12.172 233 HA ASP 32 HA ASP 32 -0.815 2.386 -12.874 234 1HB ASP 32 2HB ASP 32 1.216 3.858 -11.182 235 2HB ASP 32 1HB ASP 32 1.360 2.159 -11.614 236 H LEU 33 H LEU 33 -1.101 4.176 -9.885 237 HA LEU 33 HA LEU 33 -1.320 2.165 -8.019 238 1HB LEU 33 2HB LEU 33 -1.362 4.676 -7.688 239 2HB LEU 33 1HB LEU 33 -3.058 4.628 -8.122 240 HG LEU 33 HG LEU 33 -3.438 3.099 -6.170 241 1HD1 LEU 33 1HD1 LEU 33 -0.542 3.770 -5.742 242 2HD1 LEU 33 2HD1 LEU 33 -1.297 2.173 -5.812 243 3HD1 LEU 33 3HD1 LEU 33 -1.596 3.230 -4.431 244 1HD2 LEU 33 1HD2 LEU 33 -2.266 5.821 -5.609 245 2HD2 LEU 33 2HD2 LEU 33 -3.276 4.894 -4.500 246 3HD2 LEU 33 3HD2 LEU 33 -3.942 5.468 -6.028 247 H TYR 34 H TYR 34 -4.060 3.720 -9.725 248 HA TYR 34 HA TYR 34 -5.926 1.791 -8.850 249 1HB TYR 34 2HB TYR 34 -6.021 3.876 -10.999 250 2HB TYR 34 1HB TYR 34 -7.379 2.794 -10.698 251 HD1 TYR 34 1HD TYR 34 -6.194 5.948 -9.993 252 HD2 TYR 34 2HD TYR 34 -7.869 2.571 -8.025 253 HE1 TYR 34 1HE TYR 34 -6.931 7.396 -8.147 254 HE2 TYR 34 2HE TYR 34 -8.615 4.008 -6.178 255 HH TYR 34 HH TYR 34 -7.954 6.184 -5.180 256 H ASN 35 H ASN 35 -3.517 0.726 -10.744 257 HA ASN 35 HA ASN 35 -4.891 -0.331 -12.991 258 1HB ASN 35 2HB ASN 35 -2.431 -0.071 -12.940 259 2HB ASN 35 1HB ASN 35 -2.337 -1.303 -11.684 260 1HD2 ASN 35 1HD2 ASN 35 -1.044 -2.613 -12.964 261 2HD2 ASN 35 2HD2 ASN 35 -1.678 -3.504 -14.300 262 H PHE 36 H PHE 36 -6.599 -1.580 -12.671 263 HA PHE 36 HA PHE 36 -6.985 -3.181 -10.359 264 1HB PHE 36 2HB PHE 36 -8.849 -2.139 -11.563 265 2HB PHE 36 1HB PHE 36 -8.496 -3.116 -12.982 266 HD1 PHE 36 1HD PHE 36 -9.552 -3.326 -9.435 267 HD2 PHE 36 2HD PHE 36 -9.449 -5.223 -13.242 268 HE1 PHE 36 1HE PHE 36 -11.085 -5.061 -8.606 269 HE2 PHE 36 2HE PHE 36 -10.980 -6.962 -12.422 270 HZ PHE 36 HZ PHE 36 -11.803 -6.882 -10.100 271 H TRP 37 H TRP 37 -5.795 -3.806 -13.573 272 HA TRP 37 HA TRP 37 -5.937 -6.684 -13.183 273 1HB TRP 37 2HB TRP 37 -4.945 -5.066 -15.541 274 2HB TRP 37 1HB TRP 37 -5.130 -6.819 -15.509 275 HD1 TRP 37 HD TRP 37 -7.660 -7.779 -15.442 276 HE1 TRP 37 1HE TRP 37 -9.885 -6.745 -16.209 277 HE3 TRP 37 3HE TRP 37 -6.199 -2.893 -15.773 278 HZ2 TRP 37 2HZ TRP 37 -10.888 -4.183 -16.865 279 HZ3 TRP 37 3HZ TRP 37 -7.852 -1.212 -16.472 280 HH2 TRP 37 HH TRP 37 -10.149 -1.847 -17.007 281 H LYS 38 H LYS 38 -4.423 -7.354 -11.773 282 HA LYS 38 HA LYS 38 -1.808 -6.216 -11.669 283 1HB LYS 38 2HB LYS 38 -2.893 -8.745 -10.436 284 2HB LYS 38 1HB LYS 38 -1.275 -8.123 -10.147 285 1HG LYS 38 2HG LYS 38 -2.339 -7.265 -8.352 286 2HG LYS 38 1HG LYS 38 -2.598 -5.949 -9.486 287 1HD LYS 38 2HD LYS 38 -4.689 -6.302 -8.476 288 2HD LYS 38 1HD LYS 38 -4.807 -7.075 -10.054 289 1HE LYS 38 2HE LYS 38 -4.091 -8.578 -7.544 290 2HE LYS 38 1HE LYS 38 -5.753 -8.358 -8.083 291 1HZ LYS 38 1HZ LYS 38 -3.586 -9.779 -9.541 292 2HZ LYS 38 2HZ LYS 38 -5.118 -9.455 -10.187 293 3HZ LYS 38 3HZ LYS 38 -4.967 -10.467 -8.835 294 H ASP 39 H ASP 39 -1.310 -6.369 -13.852 295 HA ASP 39 HA ASP 39 -0.980 -8.750 -15.304 296 1HB ASP 39 2HB ASP 39 -0.994 -6.287 -16.064 297 2HB ASP 39 1HB ASP 39 0.734 -6.321 -15.726 298 H ASP 40 H ASP 40 0.510 -8.699 -12.515 299 HA ASP 40 HA ASP 40 2.509 -9.133 -11.579 300 1HB ASP 40 2HB ASP 40 2.291 -11.234 -12.841 301 2HB ASP 40 1HB ASP 40 3.069 -10.487 -14.232 302 H TYR 41 H TYR 41 2.754 -6.748 -11.796 303 HA TYR 41 HA TYR 41 5.091 -6.156 -13.443 304 1HB TYR 41 2HB TYR 41 4.451 -3.859 -13.539 305 2HB TYR 41 1HB TYR 41 3.096 -4.832 -14.043 306 HD1 TYR 41 1HD TYR 41 2.485 -2.165 -13.559 307 HD2 TYR 41 2HD TYR 41 2.937 -5.224 -10.639 308 HE1 TYR 41 1HE TYR 41 1.065 -0.889 -12.013 309 HE2 TYR 41 2HE TYR 41 1.511 -3.961 -9.087 310 HH TYR 41 HH TYR 41 -0.324 -1.235 -10.060 311 H VAL 42 H VAL 42 6.328 -4.172 -12.426 312 HA VAL 42 HA VAL 42 6.733 -4.805 -9.575 313 HB VAL 42 HB VAL 42 8.681 -3.395 -11.407 314 1HG1 VAL 42 1HG1 VAL 42 8.920 -2.948 -8.991 315 2HG1 VAL 42 2HG1 VAL 42 10.300 -3.820 -9.658 316 3HG1 VAL 42 3HG1 VAL 42 9.089 -4.681 -8.709 317 1HG2 VAL 42 1HG2 VAL 42 8.394 -5.623 -12.251 318 2HG2 VAL 42 2HG2 VAL 42 8.556 -6.306 -10.634 319 3HG2 VAL 42 3HG2 VAL 42 9.940 -5.535 -11.407 320 H MET 43 H MET 43 5.992 -3.325 -8.190 321 HA MET 43 HA MET 43 5.293 -0.677 -9.066 322 1HB MET 43 2HB MET 43 3.937 -1.784 -7.354 323 2HB MET 43 1HB MET 43 5.334 -1.890 -6.294 324 1HG MET 43 2HG MET 43 5.404 0.492 -6.044 325 2HG MET 43 1HG MET 43 4.143 0.700 -7.258 326 1HE MET 43 1HE MET 43 2.076 -1.567 -6.577 327 2HE MET 43 2HE MET 43 1.606 0.103 -6.895 328 3HE MET 43 3HE MET 43 0.992 -0.732 -5.467 329 H THR 44 H THR 44 6.986 0.556 -9.606 330 HA THR 44 HA THR 44 9.391 0.478 -7.958 331 HB THR 44 HB THR 44 10.216 2.098 -9.813 332 HG1 THR 44 1HG THR 44 8.929 2.399 -11.460 333 1HG2 THR 44 1HG2 THR 44 9.614 -0.784 -10.490 334 2HG2 THR 44 2HG2 THR 44 10.986 -0.220 -9.538 335 3HG2 THR 44 3HG2 THR 44 10.847 0.228 -11.238 336 H ASP 45 H ASP 45 6.723 2.590 -8.778 337 HA ASP 45 HA ASP 45 7.973 4.929 -7.644 338 1HB ASP 45 2HB ASP 45 6.037 4.794 -9.420 339 2HB ASP 45 1HB ASP 45 5.008 4.705 -7.996 340 H ARG 46 H ARG 46 8.357 5.041 -5.637 341 HA ARG 46 HA ARG 46 7.164 3.737 -3.505 342 1HB ARG 46 2HB ARG 46 8.133 5.429 -2.048 343 2HB ARG 46 1HB ARG 46 9.287 4.907 -3.262 344 1HG ARG 46 2HG ARG 46 7.713 7.498 -3.314 345 2HG ARG 46 1HG ARG 46 9.402 7.308 -2.841 346 1HD ARG 46 2HD ARG 46 8.249 6.725 -5.557 347 2HD ARG 46 1HD ARG 46 9.252 8.099 -5.121 348 HE ARG 46 HE ARG 46 10.475 5.560 -4.576 349 1HH1 ARG 46 1HH1 ARG 46 9.992 8.067 -6.972 350 2HH1 ARG 46 2HH1 ARG 46 11.386 7.610 -7.905 351 1HH2 ARG 46 1HH2 ARG 46 12.295 4.950 -5.826 352 2HH2 ARG 46 2HH2 ARG 46 12.693 5.848 -7.257 353 H LEU 47 H LEU 47 6.139 6.672 -5.127 354 HA LEU 47 HA LEU 47 4.529 7.674 -3.079 355 1HB LEU 47 2HB LEU 47 5.474 9.006 -4.857 356 2HB LEU 47 1HB LEU 47 4.578 8.144 -6.073 357 HG LEU 47 HG LEU 47 2.512 9.055 -5.163 358 1HD1 LEU 47 1HD1 LEU 47 2.421 10.029 -3.193 359 2HD1 LEU 47 2HD1 LEU 47 3.678 11.179 -3.634 360 3HD1 LEU 47 3HD1 LEU 47 4.111 9.616 -2.937 361 1HD2 LEU 47 1HD2 LEU 47 3.810 10.110 -6.976 362 2HD2 LEU 47 2HD2 LEU 47 4.596 11.137 -5.770 363 3HD2 LEU 47 3HD2 LEU 47 2.857 11.264 -6.038 364 H ALA 48 H ALA 48 4.108 5.044 -5.222 365 HA ALA 48 HA ALA 48 1.214 5.072 -5.141 366 1HB ALA 48 1HB ALA 48 2.551 4.200 -7.097 367 2HB ALA 48 2HB ALA 48 1.325 3.094 -6.474 368 3HB ALA 48 3HB ALA 48 3.026 2.845 -6.072 369 H GLY 49 H GLY 49 3.636 2.601 -4.246 370 1HA GLY 49 2HA GLY 49 2.579 1.301 -2.171 371 2HA GLY 49 1HA GLY 49 4.224 1.897 -2.103 372 H CYS 50 H CYS 50 3.798 4.687 -1.719 373 HA CYS 50 HA CYS 50 3.265 4.763 1.034 374 1HB CYS 50 2HB CYS 50 3.442 6.983 -1.012 375 2HB CYS 50 1HB CYS 50 3.366 7.253 0.718 376 H ALA 51 H ALA 51 1.323 5.674 -1.812 377 HA ALA 51 HA ALA 51 -0.817 6.834 -0.376 378 1HB ALA 51 1HB ALA 51 -0.443 7.206 -2.767 379 2HB ALA 51 2HB ALA 51 -2.080 6.635 -2.443 380 3HB ALA 51 3HB ALA 51 -0.871 5.525 -3.091 381 H ILE 52 H ILE 52 -0.004 3.532 -1.065 382 HA ILE 52 HA ILE 52 -2.579 2.434 -0.494 383 HB ILE 52 HB ILE 52 0.141 1.108 -0.379 384 1HG1 ILE 52 2HG1 ILE 52 -1.927 1.142 -2.590 385 2HG1 ILE 52 1HG1 ILE 52 -0.418 2.049 -2.598 386 1HG2 ILE 52 1HG2 ILE 52 -2.617 -0.109 -0.497 387 2HG2 ILE 52 2HG2 ILE 52 -1.521 -0.137 0.885 388 3HG2 ILE 52 3HG2 ILE 52 -1.097 -0.997 -0.595 389 1HD1 ILE 52 1HD1 ILE 52 -0.249 0.053 -3.960 390 2HD1 ILE 52 2HD1 ILE 52 -0.681 -0.949 -2.574 391 3HD1 ILE 52 3HD1 ILE 52 0.836 -0.046 -2.573 392 H ASN 53 H ASN 53 0.243 3.291 1.374 393 HA ASN 53 HA ASN 53 -0.929 2.082 3.789 394 1HB ASN 53 2HB ASN 53 1.908 2.922 3.147 395 2HB ASN 53 1HB ASN 53 1.386 2.396 4.743 396 1HD2 ASN 53 1HD2 ASN 53 2.030 1.428 1.465 397 2HD2 ASN 53 2HD2 ASN 53 2.037 -0.274 1.763 398 H CYS 54 H CYS 54 -2.107 4.416 2.936 399 HA CYS 54 HA CYS 54 -0.978 6.444 4.740 400 1HB CYS 54 2HB CYS 54 -1.017 7.371 2.583 401 2HB CYS 54 1HB CYS 54 -2.605 6.698 2.228 402 H LEU 55 H LEU 55 -4.067 5.012 3.683 403 HA LEU 55 HA LEU 55 -5.687 6.689 5.273 404 1HB LEU 55 2HB LEU 55 -6.332 5.301 3.228 405 2HB LEU 55 1HB LEU 55 -6.443 3.934 4.317 406 HG LEU 55 HG LEU 55 -8.061 6.438 4.757 407 1HD1 LEU 55 1HD1 LEU 55 -8.554 5.625 2.513 408 2HD1 LEU 55 2HD1 LEU 55 -9.908 5.329 3.605 409 3HD1 LEU 55 3HD1 LEU 55 -8.833 4.005 3.151 410 1HD2 LEU 55 1HD2 LEU 55 -7.883 4.885 6.641 411 2HD2 LEU 55 2HD2 LEU 55 -8.460 3.572 5.614 412 3HD2 LEU 55 3HD2 LEU 55 -9.523 4.928 5.994 413 H ALA 56 H ALA 56 -4.619 3.335 5.763 414 HA ALA 56 HA ALA 56 -5.998 3.194 8.288 415 1HB ALA 56 1HB ALA 56 -5.135 0.910 8.390 416 2HB ALA 56 2HB ALA 56 -4.124 1.224 6.979 417 3HB ALA 56 3HB ALA 56 -5.881 1.236 6.825 418 H THR 57 H THR 57 -3.000 4.282 7.210 419 HA THR 57 HA THR 57 -1.600 3.815 9.683 420 HB THR 57 HB THR 57 -0.796 5.648 7.426 421 HG1 THR 57 1HG THR 57 0.090 3.928 6.447 422 1HG2 THR 57 1HG2 THR 57 0.504 4.600 9.856 423 2HG2 THR 57 2HG2 THR 57 0.633 6.197 9.115 424 3HG2 THR 57 3HG2 THR 57 1.495 4.823 8.417 425 H LYS 58 H LYS 58 -3.360 6.443 8.110 426 HA LYS 58 HA LYS 58 -2.680 8.336 10.149 427 1HB LYS 58 2HB LYS 58 -4.669 8.405 7.893 428 2HB LYS 58 1HB LYS 58 -4.492 9.722 9.047 429 1HG LYS 58 2HG LYS 58 -2.125 9.922 8.421 430 2HG LYS 58 1HG LYS 58 -2.351 8.650 7.218 431 1HD LYS 58 2HD LYS 58 -2.454 10.839 6.167 432 2HD LYS 58 1HD LYS 58 -4.036 10.064 6.093 433 1HE LYS 58 2HE LYS 58 -4.799 11.392 7.979 434 2HE LYS 58 1HE LYS 58 -3.201 12.116 8.142 435 1HZ LYS 58 1HZ LYS 58 -3.466 13.138 5.969 436 2HZ LYS 58 2HZ LYS 58 -4.745 13.584 6.989 437 3HZ LYS 58 3HZ LYS 58 -4.994 12.418 5.792 438 H LEU 59 H LEU 59 -5.099 5.882 9.814 439 HA LEU 59 HA LEU 59 -6.960 6.862 11.686 440 1HB LEU 59 2HB LEU 59 -6.160 4.017 11.128 441 2HB LEU 59 1HB LEU 59 -7.581 4.511 12.025 442 HG LEU 59 HG LEU 59 -7.055 4.657 9.086 443 1HD1 LEU 59 1HD1 LEU 59 -9.364 3.825 10.804 444 2HD1 LEU 59 2HD1 LEU 59 -8.242 2.757 9.958 445 3HD1 LEU 59 3HD1 LEU 59 -9.356 3.775 9.041 446 1HD2 LEU 59 1HD2 LEU 59 -7.666 6.916 9.463 447 2HD2 LEU 59 2HD2 LEU 59 -8.902 6.460 10.636 448 3HD2 LEU 59 3HD2 LEU 59 -9.131 6.092 8.927 449 H ASP 60 H ASP 60 -4.514 4.319 12.301 450 HA ASP 60 HA ASP 60 -3.253 5.571 14.452 451 1HB ASP 60 2HB ASP 60 -5.455 5.254 15.596 452 2HB ASP 60 1HB ASP 60 -5.276 3.514 15.378 453 H VAL 61 H VAL 61 -1.313 4.595 14.510 454 HA VAL 61 HA VAL 61 -0.897 1.809 14.595 455 HB VAL 61 HB VAL 61 -1.786 2.002 12.271 456 1HG1 VAL 61 1HG1 VAL 61 -0.953 4.195 11.715 457 2HG1 VAL 61 2HG1 VAL 61 -0.388 3.009 10.539 458 3HG1 VAL 61 3HG1 VAL 61 0.708 3.608 11.784 459 1HG2 VAL 61 1HG2 VAL 61 1.106 1.189 12.313 460 2HG2 VAL 61 2HG2 VAL 61 -0.149 0.610 11.215 461 3HG2 VAL 61 3HG2 VAL 61 -0.217 0.196 12.929 462 H VAL 62 H VAL 62 0.147 4.159 15.882 463 HA VAL 62 HA VAL 62 2.873 4.267 14.781 464 HB VAL 62 HB VAL 62 3.171 6.434 15.863 465 1HG1 VAL 62 1HG1 VAL 62 1.679 7.740 14.416 466 2HG1 VAL 62 2HG1 VAL 62 0.729 6.286 14.108 467 3HG1 VAL 62 3HG1 VAL 62 2.406 6.373 13.568 468 1HG2 VAL 62 1HG2 VAL 62 1.636 6.195 17.746 469 2HG2 VAL 62 2HG2 VAL 62 0.261 6.201 16.641 470 3HG2 VAL 62 3HG2 VAL 62 1.258 7.646 16.817 471 H ASP 63 H ASP 63 4.278 3.077 15.830 472 HA ASP 63 HA ASP 63 3.875 2.199 18.506 473 1HB ASP 63 2HB ASP 63 5.276 1.187 16.430 474 2HB ASP 63 1HB ASP 63 6.581 1.957 17.325 475 HA PRO 64 HA PRO 64 7.399 5.030 19.770 476 1HB PRO 64 2HB PRO 64 8.909 6.251 17.785 477 2HB PRO 64 1HB PRO 64 9.198 4.636 18.432 478 1HG PRO 64 2HG PRO 64 8.397 5.298 15.795 479 2HG PRO 64 1HG PRO 64 8.501 3.678 16.503 480 1HD PRO 64 2HD PRO 64 6.135 5.473 16.208 481 2HD PRO 64 1HD PRO 64 6.226 3.706 16.094 482 H ASP 65 H ASP 65 8.562 7.462 18.443 483 HA ASP 65 HA ASP 65 6.816 9.360 19.662 484 1HB ASP 65 2HB ASP 65 9.314 9.724 17.996 485 2HB ASP 65 1HB ASP 65 8.520 11.012 18.886 486 H GLY 66 H GLY 66 6.252 7.912 16.883 487 1HA GLY 66 2HA GLY 66 4.458 9.102 15.524 488 2HA GLY 66 1HA GLY 66 5.672 10.353 15.342 489 H ASN 67 H ASN 67 7.689 9.765 14.372 490 HA ASN 67 HA ASN 67 7.399 8.301 11.963 491 1HB ASN 67 2HB ASN 67 9.870 8.734 11.748 492 2HB ASN 67 1HB ASN 67 8.905 10.180 12.035 493 1HD2 ASN 67 1HD2 ASN 67 11.252 7.997 13.357 494 2HD2 ASN 67 2HD2 ASN 67 11.654 8.940 14.753 495 H LEU 68 H LEU 68 8.460 6.401 11.301 496 HA LEU 68 HA LEU 68 9.489 4.397 11.409 497 1HB LEU 68 2HB LEU 68 10.626 5.715 13.817 498 2HB LEU 68 1HB LEU 68 10.822 3.980 13.666 499 HG LEU 68 HG LEU 68 12.785 5.085 12.805 500 1HD1 LEU 68 1HD1 LEU 68 11.959 3.033 11.696 501 2HD1 LEU 68 2HD1 LEU 68 12.901 4.075 10.629 502 3HD1 LEU 68 3HD1 LEU 68 11.143 4.044 10.505 503 1HD2 LEU 68 1HD2 LEU 68 10.924 6.514 10.906 504 2HD2 LEU 68 2HD2 LEU 68 12.686 6.575 10.861 505 3HD2 LEU 68 3HD2 LEU 68 11.817 7.248 12.240 506 H HIS 69 H HIS 69 6.762 4.784 12.451 507 HA HIS 69 HA HIS 69 6.416 2.807 14.473 508 1HB HIS 69 2HB HIS 69 3.991 2.839 13.623 509 2HB HIS 69 1HB HIS 69 4.635 4.318 14.318 510 HD1 HIS 69 1HD HIS 69 4.667 6.386 12.852 511 HD2 HIS 69 2HD HIS 69 3.659 2.927 10.760 512 HE1 HIS 69 1HE HIS 69 3.859 7.161 10.607 513 HE2 HIS 69 2HE HIS 69 3.468 5.053 9.295 514 H HIS 70 H HIS 70 7.830 1.195 13.598 515 HA HIS 70 HA HIS 70 7.055 -0.170 11.161 516 1HB HIS 70 2HB HIS 70 9.362 0.013 11.327 517 2HB HIS 70 1HB HIS 70 9.371 -0.306 13.053 518 HD1 HIS 70 1HD HIS 70 8.945 -2.168 9.759 519 HD2 HIS 70 2HD HIS 70 9.984 -2.842 13.737 520 HE1 HIS 70 1HE HIS 70 9.711 -4.567 9.868 521 HE2 HIS 70 2HE HIS 70 10.231 -4.992 12.302 522 H GLY 71 H GLY 71 7.583 -1.176 14.548 523 1HA GLY 71 2HA GLY 71 6.626 -3.804 14.256 524 2HA GLY 71 1HA GLY 71 6.705 -2.917 15.770 525 H ASN 72 H ASN 72 4.943 -0.986 15.568 526 HA ASN 72 HA ASN 72 2.475 -2.206 15.964 527 1HB ASN 72 2HB ASN 72 3.308 0.150 16.667 528 2HB ASN 72 1HB ASN 72 2.674 0.669 15.113 529 1HD2 ASN 72 1HD2 ASN 72 1.878 1.209 17.935 530 2HD2 ASN 72 2HD2 ASN 72 0.189 0.836 18.004 531 H ALA 73 H ALA 73 3.839 -0.869 12.979 532 HA ALA 73 HA ALA 73 1.385 -0.759 11.562 533 1HB ALA 73 1HB ALA 73 3.357 0.515 10.869 534 2HB ALA 73 2HB ALA 73 2.747 -0.501 9.563 535 3HB ALA 73 3HB ALA 73 4.184 -0.988 10.461 536 H LYS 74 H LYS 74 3.831 -3.244 11.983 537 HA LYS 74 HA LYS 74 2.579 -4.994 10.070 538 1HB LYS 74 2HB LYS 74 4.678 -5.654 12.126 539 2HB LYS 74 1HB LYS 74 4.210 -6.647 10.753 540 1HG LYS 74 2HG LYS 74 5.760 -4.091 10.787 541 2HG LYS 74 1HG LYS 74 6.161 -5.638 10.055 542 1HD LYS 74 2HD LYS 74 3.995 -3.775 9.105 543 2HD LYS 74 1HD LYS 74 5.589 -3.946 8.372 544 1HE LYS 74 2HE LYS 74 5.099 -6.283 7.850 545 2HE LYS 74 1HE LYS 74 3.516 -6.125 8.609 546 1HZ LYS 74 1HZ LYS 74 2.949 -4.429 6.956 547 2HZ LYS 74 2HZ LYS 74 3.328 -5.915 6.224 548 3HZ LYS 74 3HZ LYS 74 4.454 -4.651 6.211 549 H ASP 75 H ASP 75 2.711 -4.633 13.563 550 HA ASP 75 HA ASP 75 1.146 -6.859 14.272 551 1HB ASP 75 2HB ASP 75 2.401 -5.615 15.936 552 2HB ASP 75 1HB ASP 75 1.462 -4.162 15.614 553 H PHE 76 H PHE 76 0.298 -3.561 13.375 554 HA PHE 76 HA PHE 76 -2.460 -3.673 13.813 555 1HB PHE 76 2HB PHE 76 -1.410 -1.563 13.473 556 2HB PHE 76 1HB PHE 76 -0.776 -2.055 11.908 557 HD1 PHE 76 1HD PHE 76 -4.051 -1.672 13.640 558 HD2 PHE 76 2HD PHE 76 -1.836 -1.288 10.042 559 HE1 PHE 76 1HE PHE 76 -6.012 -0.657 12.554 560 HE2 PHE 76 2HE PHE 76 -3.791 -0.284 8.936 561 HZ PHE 76 HZ PHE 76 -5.884 0.035 10.195 562 H ALA 77 H ALA 77 -0.535 -4.551 10.977 563 HA ALA 77 HA ALA 77 -2.772 -5.006 9.289 564 1HB ALA 77 1HB ALA 77 -1.075 -6.328 7.932 565 2HB ALA 77 2HB ALA 77 0.104 -5.871 9.161 566 3HB ALA 77 3HB ALA 77 -0.713 -4.627 8.215 567 H MET 78 H MET 78 -0.924 -7.047 11.462 568 HA MET 78 HA MET 78 -2.256 -9.484 10.765 569 1HB MET 78 2HB MET 78 -0.824 -8.827 13.349 570 2HB MET 78 1HB MET 78 -1.185 -10.430 12.725 571 1HG MET 78 2HG MET 78 0.313 -10.041 10.847 572 2HG MET 78 1HG MET 78 0.675 -8.431 11.467 573 1HE MET 78 1HE MET 78 3.013 -10.278 10.748 574 2HE MET 78 2HE MET 78 4.043 -10.176 12.176 575 3HE MET 78 3HE MET 78 3.245 -8.728 11.559 576 H LYS 79 H LYS 79 -2.968 -6.783 12.749 577 HA LYS 79 HA LYS 79 -4.853 -8.188 14.425 578 1HB LYS 79 2HB LYS 79 -3.261 -6.190 14.998 579 2HB LYS 79 1HB LYS 79 -4.517 -5.197 14.286 580 1HG LYS 79 2HG LYS 79 -6.091 -5.889 15.934 581 2HG LYS 79 1HG LYS 79 -4.954 -7.078 16.587 582 1HD LYS 79 2HD LYS 79 -3.403 -5.283 17.172 583 2HD LYS 79 1HD LYS 79 -4.520 -4.091 16.511 584 1HE LYS 79 2HE LYS 79 -6.177 -4.727 18.199 585 2HE LYS 79 1HE LYS 79 -5.042 -5.904 18.862 586 1HZ LYS 79 1HZ LYS 79 -5.158 -3.659 20.000 587 2HZ LYS 79 2HZ LYS 79 -4.363 -3.030 18.639 588 3HZ LYS 79 3HZ LYS 79 -3.612 -4.218 19.591 589 H HIS 80 H HIS 80 -4.822 -6.735 11.357 590 HA HIS 80 HA HIS 80 -7.730 -6.758 11.212 591 1HB HIS 80 2HB HIS 80 -6.153 -4.295 10.423 592 2HB HIS 80 1HB HIS 80 -7.887 -4.526 10.229 593 HD1 HIS 80 1HD HIS 80 -9.362 -4.268 12.332 594 HD2 HIS 80 2HD HIS 80 -5.297 -3.706 13.005 595 HE1 HIS 80 1HE HIS 80 -9.178 -3.298 14.651 596 HE2 HIS 80 2HE HIS 80 -6.696 -3.204 15.111 597 H GLY 81 H GLY 81 -7.606 -8.443 9.721 598 1HA GLY 81 2HA GLY 81 -8.050 -8.549 7.311 599 2HA GLY 81 1HA GLY 81 -6.622 -7.555 7.077 600 H ALA 82 H ALA 82 -4.548 -8.568 7.952 601 HA ALA 82 HA ALA 82 -4.419 -11.195 6.722 602 1HB ALA 82 1HB ALA 82 -2.062 -9.813 7.935 603 2HB ALA 82 2HB ALA 82 -2.729 -9.262 6.398 604 3HB ALA 82 3HB ALA 82 -2.126 -10.912 6.558 605 H ASP 83 H ASP 83 -3.970 -13.082 7.751 606 HA ASP 83 HA ASP 83 -4.142 -13.081 10.636 607 1HB ASP 83 2HB ASP 83 -4.596 -15.300 10.562 608 2HB ASP 83 1HB ASP 83 -5.172 -14.810 8.983 609 H GLU 84 H GLU 84 -2.484 -14.613 11.793 610 HA GLU 84 HA GLU 84 -0.248 -13.026 11.418 611 1HB GLU 84 2HB GLU 84 0.399 -13.599 13.526 612 2HB GLU 84 1HB GLU 84 -1.307 -13.951 13.567 613 1HG GLU 84 2HG GLU 84 -0.086 -15.578 14.767 614 2HG GLU 84 1HG GLU 84 -0.864 -16.334 13.408 615 H THR 85 H THR 85 -1.155 -16.100 10.348 616 HA THR 85 HA THR 85 1.505 -17.103 9.989 617 HB THR 85 HB THR 85 -0.819 -18.376 10.170 618 HG1 THR 85 1HG THR 85 1.150 -19.450 10.187 619 1HG2 THR 85 1HG2 THR 85 -1.812 -17.590 8.134 620 2HG2 THR 85 2HG2 THR 85 -1.438 -19.306 7.943 621 3HG2 THR 85 3HG2 THR 85 -0.405 -18.089 7.192 622 H MET 86 H MET 86 -0.757 -15.129 8.163 623 HA MET 86 HA MET 86 0.560 -15.524 5.633 624 1HB MET 86 2HB MET 86 -1.664 -15.068 5.260 625 2HB MET 86 1HB MET 86 -1.795 -14.035 6.674 626 1HG MET 86 2HG MET 86 -2.114 -12.696 4.750 627 2HG MET 86 1HG MET 86 -0.551 -12.297 5.454 628 1HE MET 86 1HE MET 86 -2.478 -13.914 2.487 629 2HE MET 86 2HE MET 86 -1.666 -15.325 3.173 630 3HE MET 86 3HE MET 86 -1.195 -14.722 1.584 631 H ALA 87 H ALA 87 0.169 -12.973 8.009 632 HA ALA 87 HA ALA 87 1.904 -11.086 6.920 633 1HB ALA 87 1HB ALA 87 1.077 -11.717 9.731 634 2HB ALA 87 2HB ALA 87 0.460 -10.446 8.670 635 3HB ALA 87 3HB ALA 87 2.094 -10.332 9.326 636 H GLN 88 H GLN 88 2.492 -13.919 8.899 637 HA GLN 88 HA GLN 88 5.198 -13.328 9.541 638 1HB GLN 88 2HB GLN 88 3.269 -15.437 10.053 639 2HB GLN 88 1HB GLN 88 4.885 -16.061 9.787 640 1HG GLN 88 2HG GLN 88 4.254 -15.576 12.175 641 2HG GLN 88 1HG GLN 88 5.762 -14.861 11.614 642 1HE2 GLN 88 1HE2 GLN 88 2.437 -14.219 12.542 643 2HE2 GLN 88 2HE2 GLN 88 2.648 -12.504 12.745 644 H GLN 89 H GLN 89 3.642 -14.951 6.893 645 HA GLN 89 HA GLN 89 6.100 -16.022 5.845 646 1HB GLN 89 2HB GLN 89 3.567 -15.525 4.247 647 2HB GLN 89 1HB GLN 89 4.879 -16.621 3.864 648 1HG GLN 89 2HG GLN 89 3.135 -16.942 6.279 649 2HG GLN 89 1HG GLN 89 2.759 -17.652 4.717 650 1HE2 GLN 89 1HE2 GLN 89 2.805 -19.680 5.678 651 2HE2 GLN 89 2HE2 GLN 89 4.320 -20.481 6.007 652 H LEU 90 H LEU 90 4.428 -12.997 5.764 653 HA LEU 90 HA LEU 90 5.898 -12.031 3.452 654 1HB LEU 90 2HB LEU 90 3.432 -11.489 4.340 655 2HB LEU 90 1HB LEU 90 4.294 -10.205 5.163 656 HG LEU 90 HG LEU 90 4.422 -10.640 2.175 657 1HD1 LEU 90 1HD1 LEU 90 2.128 -10.145 2.871 658 2HD1 LEU 90 2HD1 LEU 90 2.844 -8.803 1.979 659 3HD1 LEU 90 3HD1 LEU 90 2.700 -8.719 3.735 660 1HD2 LEU 90 1HD2 LEU 90 5.185 -8.293 3.910 661 2HD2 LEU 90 2HD2 LEU 90 5.268 -8.350 2.149 662 3HD2 LEU 90 3HD2 LEU 90 6.302 -9.402 3.115 663 H VAL 91 H VAL 91 5.771 -11.468 6.955 664 HA VAL 91 HA VAL 91 7.519 -9.279 7.051 665 HB VAL 91 HB VAL 91 7.941 -9.992 9.449 666 1HG1 VAL 91 1HG1 VAL 91 5.570 -9.467 10.128 667 2HG1 VAL 91 2HG1 VAL 91 5.160 -9.506 8.410 668 3HG1 VAL 91 3HG1 VAL 91 6.315 -8.318 9.014 669 1HG2 VAL 91 1HG2 VAL 91 7.207 -12.448 8.785 670 2HG2 VAL 91 2HG2 VAL 91 5.627 -11.823 9.238 671 3HG2 VAL 91 3HG2 VAL 91 6.952 -11.797 10.400 672 H ASP 92 H ASP 92 8.188 -12.658 6.770 673 HA ASP 92 HA ASP 92 10.844 -12.610 7.738 674 1HB ASP 92 2HB ASP 92 9.784 -14.725 7.632 675 2HB ASP 92 1HB ASP 92 9.341 -14.509 5.943 676 H ILE 93 H ILE 93 9.388 -12.254 4.561 677 HA ILE 93 HA ILE 93 11.791 -11.924 3.109 678 HB ILE 93 HB ILE 93 8.905 -11.371 2.590 679 1HG1 ILE 93 2HG1 ILE 93 9.405 -12.718 0.563 680 2HG1 ILE 93 1HG1 ILE 93 11.085 -12.809 1.081 681 1HG2 ILE 93 1HG2 ILE 93 10.106 -9.328 1.838 682 2HG2 ILE 93 2HG2 ILE 93 9.298 -10.214 0.542 683 3HG2 ILE 93 3HG2 ILE 93 11.046 -10.346 0.744 684 1HD1 ILE 93 1HD1 ILE 93 10.354 -14.003 3.114 685 2HD1 ILE 93 2HD1 ILE 93 9.939 -14.856 1.625 686 3HD1 ILE 93 3HD1 ILE 93 8.699 -13.965 2.507 687 H ILE 94 H ILE 94 9.633 -9.718 4.802 688 HA ILE 94 HA ILE 94 10.680 -7.287 3.904 689 HB ILE 94 HB ILE 94 9.584 -7.872 6.658 690 1HG1 ILE 94 2HG1 ILE 94 8.196 -6.967 4.127 691 2HG1 ILE 94 1HG1 ILE 94 8.000 -8.522 4.930 692 1HG2 ILE 94 1HG2 ILE 94 9.862 -5.277 5.145 693 2HG2 ILE 94 2HG2 ILE 94 10.789 -5.765 6.564 694 3HG2 ILE 94 3HG2 ILE 94 9.054 -5.473 6.701 695 1HD1 ILE 94 1HD1 ILE 94 7.286 -5.875 6.147 696 2HD1 ILE 94 2HD1 ILE 94 6.960 -7.474 6.817 697 3HD1 ILE 94 3HD1 ILE 94 6.145 -6.952 5.343 698 H HIS 95 H HIS 95 11.592 -9.318 6.649 699 HA HIS 95 HA HIS 95 13.544 -7.481 7.620 700 1HB HIS 95 2HB HIS 95 13.362 -10.449 8.196 701 2HB HIS 95 1HB HIS 95 14.250 -9.256 9.126 702 HD1 HIS 95 1HD HIS 95 11.984 -11.091 10.299 703 HD2 HIS 95 2HD HIS 95 11.487 -7.156 9.045 704 HE1 HIS 95 1HE HIS 95 9.982 -10.232 11.546 705 HE2 HIS 95 2HE HIS 95 9.662 -7.864 10.743 706 H GLY 96 H GLY 96 13.615 -10.158 5.353 707 1HA GLY 96 2HA GLY 96 16.493 -10.389 5.493 708 2HA GLY 96 1HA GLY 96 15.419 -11.298 4.440 709 H CYS 97 H CYS 97 14.184 -9.457 2.922 710 HA CYS 97 HA CYS 97 16.317 -8.697 1.238 711 1HB CYS 97 2HB CYS 97 13.354 -8.537 0.989 712 2HB CYS 97 1HB CYS 97 14.365 -7.583 -0.097 713 H GLU 98 H GLU 98 14.247 -6.810 3.465 714 HA GLU 98 HA GLU 98 15.255 -4.304 2.608 715 1HB GLU 98 2HB GLU 98 13.276 -4.563 4.096 716 2HB GLU 98 1HB GLU 98 14.355 -5.048 5.397 717 1HG GLU 98 2HG GLU 98 15.460 -2.856 5.273 718 2HG GLU 98 1HG GLU 98 14.329 -2.375 4.010 719 H LYS 99 H LYS 99 16.461 -6.725 4.884 720 HA LYS 99 HA LYS 99 18.609 -5.228 5.905 721 1HB LYS 99 2HB LYS 99 17.945 -7.267 6.969 722 2HB LYS 99 1HB LYS 99 18.225 -8.194 5.504 723 1HG LYS 99 2HG LYS 99 20.602 -7.863 5.701 724 2HG LYS 99 1HG LYS 99 20.372 -6.812 7.098 725 1HD LYS 99 2HD LYS 99 21.033 -9.075 7.766 726 2HD LYS 99 1HD LYS 99 19.421 -8.664 8.356 727 1HE LYS 99 2HE LYS 99 18.466 -9.878 6.406 728 2HE LYS 99 1HE LYS 99 20.099 -10.382 5.972 729 1HZ LYS 99 1HZ LYS 99 20.286 -11.532 8.076 730 2HZ LYS 99 2HZ LYS 99 18.908 -12.076 7.245 731 3HZ LYS 99 3HZ LYS 99 18.744 -11.000 8.542 732 H SER 100 H SER 100 18.328 -7.245 3.012 733 HA SER 100 HA SER 100 21.088 -6.563 2.283 734 1HB SER 100 2HB SER 100 19.230 -8.655 1.126 735 2HB SER 100 1HB SER 100 20.919 -8.413 0.673 736 HG SER 100 HG SER 100 21.368 -8.767 2.994 737 H ALA 101 H ALA 101 18.574 -4.860 1.979 738 HA ALA 101 HA ALA 101 18.101 -4.676 -0.846 739 1HB ALA 101 1HB ALA 101 17.333 -2.818 1.406 740 2HB ALA 101 2HB ALA 101 16.332 -4.095 0.708 741 3HB ALA 101 3HB ALA 101 16.768 -2.684 -0.258 742 HA PRO 102 HA PRO 102 21.206 -1.824 -2.297 743 1HB PRO 102 2HB PRO 102 18.880 -0.116 -3.072 744 2HB PRO 102 1HB PRO 102 20.280 -0.609 -4.031 745 1HG PRO 102 2HG PRO 102 17.901 -1.764 -4.382 746 2HG PRO 102 1HG PRO 102 19.403 -2.703 -4.483 747 1HD PRO 102 2HD PRO 102 17.355 -2.633 -2.333 748 2HD PRO 102 1HD PRO 102 18.410 -3.962 -2.843 749 HA PRO 103 HA PRO 103 21.440 0.883 1.205 750 1HB PRO 103 2HB PRO 103 23.741 2.093 -0.159 751 2HB PRO 103 1HB PRO 103 23.683 1.173 1.348 752 1HG PRO 103 2HG PRO 103 24.781 0.148 -0.873 753 2HG PRO 103 1HG PRO 103 23.873 -0.863 0.267 754 1HD PRO 103 2HD PRO 103 22.971 0.321 -2.340 755 2HD PRO 103 1HD PRO 103 22.737 -1.326 -1.711 756 H ASN 104 H ASN 104 19.542 1.774 -0.614 757 HA ASN 104 HA ASN 104 19.999 4.681 -0.446 758 1HB ASN 104 2HB ASN 104 18.270 3.300 -2.523 759 2HB ASN 104 1HB ASN 104 18.588 5.026 -2.402 760 1HD2 ASN 104 1HD2 ASN 104 19.793 1.958 -3.397 761 2HD2 ASN 104 2HD2 ASN 104 21.194 2.533 -4.238 762 H ASP 105 H ASP 105 18.986 4.999 1.477 763 HA ASP 105 HA ASP 105 16.672 3.415 2.164 764 1HB ASP 105 2HB ASP 105 18.650 4.299 3.698 765 2HB ASP 105 1HB ASP 105 17.569 5.676 3.887 766 H ASP 106 H ASP 106 15.205 4.160 0.592 767 HA ASP 106 HA ASP 106 14.118 6.842 1.120 768 1HB ASP 106 2HB ASP 106 14.689 6.445 -1.224 769 2HB ASP 106 1HB ASP 106 13.691 4.996 -1.247 770 H LYS 107 H LYS 107 12.167 7.094 1.932 771 HA LYS 107 HA LYS 107 11.001 5.578 3.726 772 1HB LYS 107 2HB LYS 107 10.231 7.826 3.115 773 2HB LYS 107 1HB LYS 107 9.402 7.162 1.714 774 1HG LYS 107 2HG LYS 107 7.758 7.508 3.367 775 2HG LYS 107 1HG LYS 107 8.046 5.769 3.313 776 1HD LYS 107 2HD LYS 107 7.906 6.443 5.610 777 2HD LYS 107 1HD LYS 107 9.582 6.024 5.252 778 1HE LYS 107 2HE LYS 107 9.506 8.048 6.578 779 2HE LYS 107 1HE LYS 107 10.096 8.414 4.959 780 1HZ LYS 107 1HZ LYS 107 7.887 9.218 4.372 781 2HZ LYS 107 2HZ LYS 107 8.496 10.063 5.711 782 3HZ LYS 107 3HZ LYS 107 7.325 8.859 5.932 783 H CYS 108 H CYS 108 9.237 5.513 0.591 784 HA CYS 108 HA CYS 108 8.238 2.898 1.355 785 1HB CYS 108 2HB CYS 108 7.552 4.743 -0.929 786 2HB CYS 108 1HB CYS 108 6.866 3.132 -0.744 787 H MET 109 H MET 109 10.926 3.939 -0.397 788 HA MET 109 HA MET 109 10.715 2.219 -2.655 789 1HB MET 109 2HB MET 109 12.333 4.319 -1.986 790 2HB MET 109 1HB MET 109 13.427 2.954 -1.805 791 1HG MET 109 2HG MET 109 11.814 3.570 -4.260 792 2HG MET 109 1HG MET 109 13.514 3.975 -4.035 793 1HE MET 109 1HE MET 109 13.524 1.048 -6.688 794 2HE MET 109 2HE MET 109 13.965 2.728 -6.381 795 3HE MET 109 3HE MET 109 12.267 2.271 -6.500 796 H LYS 110 H LYS 110 12.256 2.016 0.481 797 HA LYS 110 HA LYS 110 13.697 -0.386 0.050 798 1HB LYS 110 2HB LYS 110 13.776 -0.457 2.551 799 2HB LYS 110 1HB LYS 110 14.292 1.084 1.873 800 1HG LYS 110 2HG LYS 110 11.889 1.850 2.284 801 2HG LYS 110 1HG LYS 110 11.731 0.406 3.280 802 1HD LYS 110 2HD LYS 110 13.573 2.748 3.686 803 2HD LYS 110 1HD LYS 110 12.257 2.184 4.723 804 1HE LYS 110 2HE LYS 110 13.486 0.206 5.301 805 2HE LYS 110 1HE LYS 110 14.749 0.592 4.134 806 1HZ LYS 110 1HZ LYS 110 15.504 1.186 6.295 807 2HZ LYS 110 2HZ LYS 110 14.101 2.072 6.625 808 3HZ LYS 110 3HZ LYS 110 15.199 2.628 5.453 809 H THR 111 H THR 111 10.691 0.235 1.766 810 HA THR 111 HA THR 111 9.820 -2.350 2.128 811 HB THR 111 HB THR 111 8.917 0.261 2.618 812 HG1 THR 111 1HG THR 111 7.443 -1.995 3.430 813 1HG2 THR 111 1HG2 THR 111 7.337 0.236 0.775 814 2HG2 THR 111 2HG2 THR 111 6.434 -0.035 2.264 815 3HG2 THR 111 3HG2 THR 111 6.801 -1.391 1.199 816 H ILE 112 H ILE 112 10.121 -0.691 -0.859 817 HA ILE 112 HA ILE 112 8.021 -2.242 -2.141 818 HB ILE 112 HB ILE 112 9.431 0.160 -2.754 819 1HG1 ILE 112 2HG1 ILE 112 7.566 0.385 -4.418 820 2HG1 ILE 112 1HG1 ILE 112 7.069 -1.247 -3.985 821 1HG2 ILE 112 1HG2 ILE 112 9.447 -1.863 -4.990 822 2HG2 ILE 112 2HG2 ILE 112 10.863 -1.152 -4.214 823 3HG2 ILE 112 3HG2 ILE 112 9.780 -0.140 -5.167 824 1HD1 ILE 112 1HD1 ILE 112 7.346 0.938 -1.952 825 2HD1 ILE 112 2HD1 ILE 112 6.495 -0.603 -1.802 826 3HD1 ILE 112 3HD1 ILE 112 5.852 0.659 -2.855 827 H ASP 113 H ASP 113 11.504 -2.053 -1.887 828 HA ASP 113 HA ASP 113 12.159 -4.077 -3.714 829 1HB ASP 113 2HB ASP 113 13.747 -2.423 -2.682 830 2HB ASP 113 1HB ASP 113 13.691 -3.371 -1.203 831 H VAL 114 H VAL 114 11.158 -4.185 -0.315 832 HA VAL 114 HA VAL 114 11.679 -6.996 -0.101 833 HB VAL 114 HB VAL 114 10.313 -6.905 1.986 834 1HG1 VAL 114 1HG1 VAL 114 12.453 -4.808 1.953 835 2HG1 VAL 114 2HG1 VAL 114 12.801 -6.534 1.824 836 3HG1 VAL 114 3HG1 VAL 114 12.007 -5.899 3.265 837 1HG2 VAL 114 1HG2 VAL 114 10.323 -3.986 1.465 838 2HG2 VAL 114 2HG2 VAL 114 9.703 -4.775 2.908 839 3HG2 VAL 114 3HG2 VAL 114 8.900 -5.007 1.351 840 H ALA 115 H ALA 115 8.878 -4.946 -0.792 841 HA ALA 115 HA ALA 115 6.912 -6.933 -0.833 842 1HB ALA 115 1HB ALA 115 6.651 -4.442 -0.956 843 2HB ALA 115 2HB ALA 115 5.577 -5.385 -1.990 844 3HB ALA 115 3HB ALA 115 6.985 -4.574 -2.682 845 H MET 116 H MET 116 8.928 -5.704 -3.526 846 HA MET 116 HA MET 116 7.890 -7.631 -5.323 847 1HB MET 116 2HB MET 116 9.649 -7.024 -6.897 848 2HB MET 116 1HB MET 116 8.837 -5.616 -6.250 849 1HG MET 116 2HG MET 116 10.731 -5.054 -4.909 850 2HG MET 116 1HG MET 116 11.527 -6.584 -5.299 851 1HE MET 116 1HE MET 116 12.927 -3.739 -5.573 852 2HE MET 116 2HE MET 116 13.750 -3.933 -7.121 853 3HE MET 116 3HE MET 116 13.726 -5.261 -5.961 854 H CYS 117 H CYS 117 10.117 -7.834 -2.823 855 HA CYS 117 HA CYS 117 11.668 -10.069 -3.721 856 1HB CYS 117 2HB CYS 117 12.605 -8.613 -2.082 857 2HB CYS 117 1HB CYS 117 11.225 -8.828 -1.015 858 H PHE 118 H PHE 118 8.649 -9.557 -2.143 859 HA PHE 118 HA PHE 118 8.428 -12.222 -1.139 860 1HB PHE 118 2HB PHE 118 7.377 -10.353 0.041 861 2HB PHE 118 1HB PHE 118 6.349 -10.025 -1.345 862 HD1 PHE 118 1HD PHE 118 4.264 -11.045 -1.516 863 HD2 PHE 118 2HD PHE 118 7.156 -12.630 1.174 864 HE1 PHE 118 1HE PHE 118 2.566 -12.558 -0.586 865 HE2 PHE 118 2HE PHE 118 5.461 -14.147 2.107 866 HZ PHE 118 HZ PHE 118 3.163 -14.114 1.227 867 H LYS 119 H LYS 119 7.000 -10.415 -3.908 868 HA LYS 119 HA LYS 119 5.614 -12.761 -4.769 869 1HB LYS 119 2HB LYS 119 4.826 -10.520 -5.400 870 2HB LYS 119 1HB LYS 119 6.194 -10.307 -6.454 871 1HG LYS 119 2HG LYS 119 4.362 -12.605 -6.854 872 2HG LYS 119 1HG LYS 119 3.929 -10.989 -7.415 873 1HD LYS 119 2HD LYS 119 6.395 -12.547 -8.184 874 2HD LYS 119 1HD LYS 119 4.981 -12.262 -9.200 875 1HE LYS 119 2HE LYS 119 5.458 -9.787 -8.918 876 2HE LYS 119 1HE LYS 119 7.005 -10.266 -8.214 877 1HZ LYS 119 1HZ LYS 119 7.173 -9.788 -10.602 878 2HZ LYS 119 2HZ LYS 119 6.060 -11.020 -10.932 879 3HZ LYS 119 3HZ LYS 119 7.571 -11.398 -10.257 880 H LYS 120 H LYS 120 8.943 -11.658 -5.269 881 HA LYS 120 HA LYS 120 9.611 -13.455 -7.307 882 1HB LYS 120 2HB LYS 120 10.951 -11.725 -5.571 883 2HB LYS 120 1HB LYS 120 11.680 -13.315 -5.349 884 1HG LYS 120 2HG LYS 120 12.460 -13.411 -7.487 885 2HG LYS 120 1HG LYS 120 11.177 -12.374 -8.119 886 1HD LYS 120 2HD LYS 120 13.382 -11.459 -6.331 887 2HD LYS 120 1HD LYS 120 13.412 -11.292 -8.083 888 1HE LYS 120 2HE LYS 120 11.341 -9.958 -7.946 889 2HE LYS 120 1HE LYS 120 11.383 -10.088 -6.201 890 1HZ LYS 120 1HZ LYS 120 13.286 -8.645 -7.956 891 2HZ LYS 120 2HZ LYS 120 13.669 -9.037 -6.353 892 3HZ LYS 120 3HZ LYS 120 12.355 -8.026 -6.684 893 H GLU 121 H GLU 121 9.674 -13.844 -3.778 894 HA GLU 121 HA GLU 121 10.335 -16.539 -3.690 895 1HB GLU 121 2HB GLU 121 8.751 -14.827 -1.806 896 2HB GLU 121 1HB GLU 121 9.095 -16.518 -1.462 897 1HG GLU 121 2HG GLU 121 11.105 -14.323 -1.884 898 2HG GLU 121 1HG GLU 121 10.701 -15.124 -0.369 899 H ILE 122 H ILE 122 6.983 -15.174 -3.838 900 HA ILE 122 HA ILE 122 5.683 -17.613 -3.658 901 HB ILE 122 HB ILE 122 4.612 -15.335 -3.590 902 1HG1 ILE 122 2HG1 ILE 122 3.334 -17.458 -5.311 903 2HG1 ILE 122 1HG1 ILE 122 3.357 -17.424 -3.560 904 1HG2 ILE 122 1HG2 ILE 122 3.645 -15.171 -6.143 905 2HG2 ILE 122 2HG2 ILE 122 5.375 -15.406 -6.361 906 3HG2 ILE 122 3HG2 ILE 122 4.776 -14.059 -5.387 907 1HD1 ILE 122 1HD1 ILE 122 2.001 -15.425 -5.340 908 2HD1 ILE 122 2HD1 ILE 122 2.039 -15.369 -3.577 909 3HD1 ILE 122 3HD1 ILE 122 1.214 -16.694 -4.400 910 H HIS 123 H HIS 123 7.161 -16.035 -6.432 911 HA HIS 123 HA HIS 123 6.279 -17.987 -8.283 912 1HB HIS 123 2HB HIS 123 8.461 -15.930 -8.327 913 2HB HIS 123 1HB HIS 123 8.354 -17.130 -9.610 914 HD1 HIS 123 1HD HIS 123 7.652 -15.576 -11.472 915 HD2 HIS 123 2HD HIS 123 5.190 -15.322 -8.126 916 HE1 HIS 123 1HE HIS 123 5.687 -14.171 -12.178 917 HE2 HIS 123 2HE HIS 123 4.167 -14.094 -10.168 918 H LYS 124 H LYS 124 8.996 -17.832 -6.072 919 HA LYS 124 HA LYS 124 10.609 -19.838 -7.203 920 1HB LYS 124 2HB LYS 124 11.300 -18.143 -5.496 921 2HB LYS 124 1HB LYS 124 10.373 -19.033 -4.298 922 1HG LYS 124 2HG LYS 124 12.625 -19.659 -4.015 923 2HG LYS 124 1HG LYS 124 11.831 -21.018 -4.814 924 1HD LYS 124 2HD LYS 124 12.758 -20.424 -6.921 925 2HD LYS 124 1HD LYS 124 13.336 -18.879 -6.298 926 1HE LYS 124 2HE LYS 124 14.332 -21.635 -5.584 927 2HE LYS 124 1HE LYS 124 15.203 -20.381 -6.465 928 1HZ LYS 124 1HZ LYS 124 14.516 -20.476 -3.592 929 2HZ LYS 124 2HZ LYS 124 14.890 -19.007 -4.351 930 3HZ LYS 124 3HZ LYS 124 16.037 -20.254 -4.312 931 H LEU 125 H LEU 125 7.917 -19.954 -4.903 932 HA LEU 125 HA LEU 125 8.347 -22.764 -4.411 933 1HB LEU 125 2HB LEU 125 6.188 -22.576 -3.110 934 2HB LEU 125 1HB LEU 125 7.579 -21.689 -2.524 935 HG LEU 125 HG LEU 125 6.218 -19.900 -4.189 936 1HD1 LEU 125 1HD1 LEU 125 3.973 -19.855 -3.238 937 2HD1 LEU 125 2HD1 LEU 125 4.310 -21.340 -2.348 938 3HD1 LEU 125 3HD1 LEU 125 4.256 -21.360 -4.111 939 1HD2 LEU 125 1HD2 LEU 125 7.530 -19.651 -2.052 940 2HD2 LEU 125 2HD2 LEU 125 6.035 -20.054 -1.200 941 3HD2 LEU 125 3HD2 LEU 125 6.106 -18.620 -2.229 942 H ASN 126 H ASN 126 7.362 -21.483 -7.103 943 HA ASN 126 HA ASN 126 6.153 -22.152 -8.879 944 1HB ASN 126 2HB ASN 126 5.734 -24.613 -7.186 945 2HB ASN 126 1HB ASN 126 5.073 -24.450 -8.811 946 1HD2 ASN 126 1HD2 ASN 126 7.943 -24.866 -6.906 947 2HD2 ASN 126 2HD2 ASN 126 9.007 -25.219 -8.226 948 H TRP 127 H TRP 127 4.491 -20.950 -9.309 949 HA TRP 127 HA TRP 127 2.158 -21.040 -7.516 950 1HB TRP 127 2HB TRP 127 1.699 -18.735 -8.182 951 2HB TRP 127 1HB TRP 127 3.339 -18.866 -7.557 952 HD1 TRP 127 HD TRP 127 5.164 -19.430 -9.827 953 HE1 TRP 127 1HE TRP 127 5.330 -17.995 -11.953 954 HE3 TRP 127 3HE TRP 127 0.620 -17.111 -9.576 955 HZ2 TRP 127 2HZ TRP 127 3.731 -16.120 -13.340 956 HZ3 TRP 127 3HZ TRP 127 0.016 -15.505 -11.336 957 HH2 TRP 127 HH TRP 127 1.543 -15.019 -13.180 958 H VAL 128 H VAL 128 0.188 -19.996 -8.912 959 HA VAL 128 HA VAL 128 0.073 -21.518 -11.429 960 HB VAL 128 HB VAL 128 -2.405 -21.686 -11.057 961 1HG1 VAL 128 1HG1 VAL 128 -2.258 -23.531 -9.451 962 2HG1 VAL 128 2HG1 VAL 128 -0.645 -22.990 -8.985 963 3HG1 VAL 128 3HG1 VAL 128 -0.940 -23.577 -10.621 964 1HG2 VAL 128 1HG2 VAL 128 -1.691 -20.758 -8.274 965 2HG2 VAL 128 2HG2 VAL 128 -3.255 -21.408 -8.770 966 3HG2 VAL 128 3HG2 VAL 128 -2.680 -19.883 -9.444 967 HA PRO 129 HA PRO 129 -0.391 -17.573 -13.328 968 1HB PRO 129 2HB PRO 129 -1.686 -19.026 -15.544 969 2HB PRO 129 1HB PRO 129 -0.204 -18.067 -15.544 970 1HG PRO 129 2HG PRO 129 -0.138 -20.736 -15.737 971 2HG PRO 129 1HG PRO 129 1.102 -19.838 -14.838 972 1HD PRO 129 2HD PRO 129 -1.260 -21.364 -13.802 973 2HD PRO 129 1HD PRO 129 0.400 -21.298 -13.174 974 H ASN 130 H ASN 130 -1.979 -16.093 -14.097 975 HA ASN 130 HA ASN 130 -4.700 -16.759 -13.195 976 1HB ASN 130 2HB ASN 130 -3.601 -14.840 -12.072 977 2HB ASN 130 1HB ASN 130 -3.440 -14.037 -13.631 978 1HD2 ASN 130 1HD2 ASN 130 -4.686 -12.283 -13.086 979 2HD2 ASN 130 2HD2 ASN 130 -6.393 -12.389 -12.828 980 H MET 131 H MET 131 -6.487 -16.058 -14.470 981 HA MET 131 HA MET 131 -5.915 -16.178 -17.333 982 1HB MET 131 2HB MET 131 -8.520 -16.449 -15.815 983 2HB MET 131 1HB MET 131 -8.336 -16.646 -17.554 984 1HG MET 131 2HG MET 131 -6.983 -18.589 -17.264 985 2HG MET 131 1HG MET 131 -6.899 -18.333 -15.522 986 1HE MET 131 1HE MET 131 -9.042 -21.609 -15.892 987 2HE MET 131 2HE MET 131 -7.602 -20.889 -15.169 988 3HE MET 131 3HE MET 131 -7.699 -21.104 -16.917 989 H ASP 132 H ASP 132 -7.952 -14.936 -18.517 990 HA ASP 132 HA ASP 132 -7.375 -12.167 -18.167 991 1HB ASP 132 2HB ASP 132 -9.516 -13.526 -19.820 992 2HB ASP 132 1HB ASP 132 -9.111 -11.816 -19.908 993 H LEU 133 H LEU 133 -8.225 -10.858 -16.702 994 HA LEU 133 HA LEU 133 -10.732 -11.662 -15.409 995 1HB LEU 133 2HB LEU 133 -8.438 -11.084 -14.215 996 2HB LEU 133 1HB LEU 133 -9.018 -9.441 -14.381 997 HG LEU 133 HG LEU 133 -9.504 -10.415 -12.167 998 1HD1 LEU 133 1HD1 LEU 133 -10.938 -8.645 -13.013 999 2HD1 LEU 133 2HD1 LEU 133 -11.861 -9.799 -12.048 1000 3HD1 LEU 133 3HD1 LEU 133 -11.962 -9.839 -13.809 1001 1HD2 LEU 133 1HD2 LEU 133 -11.258 -12.319 -13.713 1002 2HD2 LEU 133 2HD2 LEU 133 -11.217 -12.153 -11.957 1003 3HD2 LEU 133 3HD2 LEU 133 -9.794 -12.733 -12.824 1004 H VAL 134 H VAL 134 -11.861 -10.929 -17.329 1005 HA VAL 134 HA VAL 134 -12.919 -9.425 -18.672 1006 HB VAL 134 HB VAL 134 -14.502 -7.966 -17.400 1007 1HG1 VAL 134 1HG1 VAL 134 -14.307 -10.857 -16.567 1008 2HG1 VAL 134 2HG1 VAL 134 -15.070 -10.240 -18.033 1009 3HG1 VAL 134 3HG1 VAL 134 -15.751 -9.851 -16.453 1010 1HG2 VAL 134 1HG2 VAL 134 -14.654 -8.270 -14.968 1011 2HG2 VAL 134 2HG2 VAL 134 -13.152 -7.475 -15.435 1012 3HG2 VAL 134 3HG2 VAL 134 -13.145 -9.182 -14.991 1013 H ILE 135 H ILE 135 -10.960 -8.487 -19.519 1014 HA ILE 135 HA ILE 135 -10.185 -5.899 -18.546 1015 HB ILE 135 HB ILE 135 -8.737 -5.734 -20.545 1016 1HG1 ILE 135 2HG1 ILE 135 -10.112 -7.185 -22.069 1017 2HG1 ILE 135 1HG1 ILE 135 -8.398 -7.575 -22.052 1018 1HG2 ILE 135 1HG2 ILE 135 -7.881 -6.625 -18.480 1019 2HG2 ILE 135 2HG2 ILE 135 -7.163 -7.484 -19.844 1020 3HG2 ILE 135 3HG2 ILE 135 -8.450 -8.240 -18.904 1021 1HD1 ILE 135 1HD1 ILE 135 -9.207 -9.288 -20.208 1022 2HD1 ILE 135 2HD1 ILE 135 -9.238 -9.665 -21.931 1023 3HD1 ILE 135 3HD1 ILE 135 -10.713 -9.146 -21.113 1024 H GLY 136 H GLY 136 -11.628 -4.404 -18.670 1025 1HA GLY 136 2HA GLY 136 -13.568 -4.174 -20.753 1026 2HA GLY 136 1HA GLY 136 -13.276 -3.007 -19.471 1027 H GLU 137 H GLU 137 -13.874 -2.239 -22.067 1028 HA GLU 137 HA GLU 137 -11.277 -1.273 -23.078 1029 1HB GLU 137 2HB GLU 137 -12.563 -2.859 -24.559 1030 2HB GLU 137 1HB GLU 137 -13.822 -1.639 -24.666 1031 1HG GLU 137 2HG GLU 137 -12.330 -0.114 -25.759 1032 2HG GLU 137 1HG GLU 137 -10.971 -1.212 -25.521 1033 H VAL 138 H VAL 138 -10.978 0.788 -22.602 1034 HA VAL 138 HA VAL 138 -13.295 2.529 -22.185 1035 HB VAL 138 HB VAL 138 -10.370 3.024 -21.586 1036 1HG1 VAL 138 1HG1 VAL 138 -11.570 5.104 -22.034 1037 2HG1 VAL 138 2HG1 VAL 138 -11.154 4.970 -20.325 1038 3HG1 VAL 138 3HG1 VAL 138 -12.805 4.653 -20.857 1039 1HG2 VAL 138 1HG2 VAL 138 -12.669 2.332 -19.761 1040 2HG2 VAL 138 2HG2 VAL 138 -11.042 2.766 -19.237 1041 3HG2 VAL 138 3HG2 VAL 138 -11.305 1.291 -20.167 1042 H LEU 139 H LEU 139 -13.950 3.835 -23.737 1043 HA LEU 139 HA LEU 139 -12.241 4.396 -26.025 1044 1HB LEU 139 2HB LEU 139 -14.739 3.751 -26.120 1045 2HB LEU 139 1HB LEU 139 -15.054 5.384 -25.574 1046 HG LEU 139 HG LEU 139 -13.506 4.803 -28.097 1047 1HD1 LEU 139 1HD1 LEU 139 -15.694 3.762 -28.288 1048 2HD1 LEU 139 2HD1 LEU 139 -15.597 5.199 -29.307 1049 3HD1 LEU 139 3HD1 LEU 139 -16.468 5.261 -27.774 1050 1HD2 LEU 139 1HD2 LEU 139 -14.186 7.078 -28.691 1051 2HD2 LEU 139 2HD2 LEU 139 -13.257 7.061 -27.192 1052 3HD2 LEU 139 3HD2 LEU 139 -15.011 7.240 -27.141 1053 H ALA 140 H ALA 140 -10.859 6.018 -25.805 1054 HA ALA 140 HA ALA 140 -11.282 8.114 -23.869 1055 1HB ALA 140 1HB ALA 140 -9.053 7.170 -24.243 1056 2HB ALA 140 2HB ALA 140 -9.083 8.905 -24.554 1057 3HB ALA 140 3HB ALA 140 -9.078 7.768 -25.902 1058 H GLU 141 H GLU 141 -12.761 9.601 -24.363 1059 HA GLU 141 HA GLU 141 -12.514 10.944 -26.970 1060 1HB GLU 141 2HB GLU 141 -14.597 9.600 -26.824 1061 2HB GLU 141 1HB GLU 141 -15.066 10.519 -25.400 1062 1HG GLU 141 2HG GLU 141 -15.135 12.560 -26.727 1063 2HG GLU 141 1HG GLU 141 -14.643 11.655 -28.157 1064 H VAL 142 H VAL 142 -12.613 13.169 -26.950 1065 HA VAL 142 HA VAL 142 -11.850 14.464 -24.539 1066 HB VAL 142 HB VAL 142 -12.795 15.806 -27.072 1067 1HG1 VAL 142 1HG1 VAL 142 -11.323 17.625 -26.339 1068 2HG1 VAL 142 2HG1 VAL 142 -10.939 16.717 -24.877 1069 3HG1 VAL 142 3HG1 VAL 142 -12.586 17.285 -25.155 1070 1HG2 VAL 142 1HG2 VAL 142 -10.020 14.845 -26.382 1071 2HG2 VAL 142 2HG2 VAL 142 -10.452 15.823 -27.786 1072 3HG2 VAL 142 3HG2 VAL 142 -11.071 14.178 -27.631 Start of MODEL 20 1 1H SER 1 1HT SER 1 -5.560 -18.194 -0.826 2 2H SER 1 2HT SER 1 -4.976 -16.968 -1.841 3 3H SER 1 3HT SER 1 -6.610 -17.409 -1.899 4 HA SER 1 HA SER 1 -6.991 -16.595 0.291 5 1HB SER 1 2HB SER 1 -4.064 -15.814 0.246 6 2HB SER 1 1HB SER 1 -5.207 -15.486 1.548 7 HG SER 1 HG SER 1 -4.676 -17.364 2.294 8 HA PRO 2 HA PRO 2 -7.396 -12.939 -2.378 9 1HB PRO 2 2HB PRO 2 -10.045 -12.657 -2.145 10 2HB PRO 2 1HB PRO 2 -9.346 -13.910 -3.175 11 1HG PRO 2 2HG PRO 2 -10.568 -14.145 -0.466 12 2HG PRO 2 1HG PRO 2 -10.645 -15.265 -1.835 13 1HD PRO 2 2HD PRO 2 -8.941 -15.488 0.368 14 2HD PRO 2 1HD PRO 2 -8.762 -16.348 -1.173 15 H GLU 3 H GLU 3 -7.651 -13.492 0.879 16 HA GLU 3 HA GLU 3 -9.007 -11.487 2.093 17 1HB GLU 3 2HB GLU 3 -6.361 -12.721 2.819 18 2HB GLU 3 1HB GLU 3 -7.134 -11.526 3.849 19 1HG GLU 3 2HG GLU 3 -7.573 -13.821 4.574 20 2HG GLU 3 1HG GLU 3 -9.048 -12.955 4.151 21 H ILE 4 H ILE 4 -5.486 -11.149 1.518 22 HA ILE 4 HA ILE 4 -5.754 -8.328 1.877 23 HB ILE 4 HB ILE 4 -3.833 -9.826 2.690 24 1HG1 ILE 4 2HG1 ILE 4 -2.848 -7.370 1.304 25 2HG1 ILE 4 1HG1 ILE 4 -4.048 -7.226 2.583 26 1HG2 ILE 4 1HG2 ILE 4 -3.294 -10.880 0.579 27 2HG2 ILE 4 2HG2 ILE 4 -1.910 -9.970 1.180 28 3HG2 ILE 4 3HG2 ILE 4 -2.898 -9.312 -0.123 29 1HD1 ILE 4 1HD1 ILE 4 -2.541 -8.345 4.131 30 2HD1 ILE 4 2HD1 ILE 4 -1.800 -6.899 3.434 31 3HD1 ILE 4 3HD1 ILE 4 -1.334 -8.498 2.849 32 H MET 5 H MET 5 -6.048 -10.380 -0.731 33 HA MET 5 HA MET 5 -4.915 -8.845 -2.809 34 1HB MET 5 2HB MET 5 -7.060 -10.954 -2.719 35 2HB MET 5 1HB MET 5 -6.544 -10.206 -4.229 36 1HG MET 5 2HG MET 5 -4.795 -11.754 -2.327 37 2HG MET 5 1HG MET 5 -5.454 -12.354 -3.847 38 1HE MET 5 1HE MET 5 -3.568 -10.230 -6.506 39 2HE MET 5 2HE MET 5 -5.159 -9.915 -5.813 40 3HE MET 5 3HE MET 5 -4.687 -11.565 -6.222 41 H LYS 6 H LYS 6 -7.952 -8.775 -1.084 42 HA LYS 6 HA LYS 6 -8.804 -6.437 -2.616 43 1HB LYS 6 2HB LYS 6 -10.041 -8.000 -0.358 44 2HB LYS 6 1HB LYS 6 -10.647 -6.413 -0.804 45 1HG LYS 6 2HG LYS 6 -11.050 -7.263 -3.095 46 2HG LYS 6 1HG LYS 6 -10.550 -8.866 -2.546 47 1HD LYS 6 2HD LYS 6 -12.363 -8.966 -0.982 48 2HD LYS 6 1HD LYS 6 -12.788 -7.283 -1.293 49 1HE LYS 6 2HE LYS 6 -14.328 -8.781 -2.426 50 2HE LYS 6 1HE LYS 6 -13.384 -7.860 -3.595 51 1HZ LYS 6 1HZ LYS 6 -12.613 -10.592 -2.752 52 2HZ LYS 6 2HZ LYS 6 -12.097 -9.725 -4.120 53 3HZ LYS 6 3HZ LYS 6 -13.684 -10.313 -4.036 54 H ASN 7 H ASN 7 -7.541 -4.719 -2.180 55 HA ASN 7 HA ASN 7 -6.153 -4.310 0.231 56 1HB ASN 7 2HB ASN 7 -5.471 -3.281 -1.907 57 2HB ASN 7 1HB ASN 7 -6.902 -2.256 -1.861 58 1HD2 ASN 7 1HD2 ASN 7 -3.751 -2.834 -0.558 59 2HD2 ASN 7 2HD2 ASN 7 -3.624 -1.360 0.337 60 H LEU 8 H LEU 8 -6.680 -3.387 2.083 61 HA LEU 8 HA LEU 8 -9.386 -2.984 2.736 62 1HB LEU 8 2HB LEU 8 -6.911 -2.188 4.268 63 2HB LEU 8 1HB LEU 8 -8.536 -2.257 4.925 64 HG LEU 8 HG LEU 8 -6.976 -4.621 3.876 65 1HD1 LEU 8 1HD1 LEU 8 -6.849 -5.302 6.217 66 2HD1 LEU 8 2HD1 LEU 8 -7.648 -3.806 6.700 67 3HD1 LEU 8 3HD1 LEU 8 -6.050 -3.753 5.954 68 1HD2 LEU 8 1HD2 LEU 8 -9.376 -4.888 3.563 69 2HD2 LEU 8 2HD2 LEU 8 -9.655 -4.481 5.258 70 3HD2 LEU 8 3HD2 LEU 8 -8.787 -5.959 4.836 71 H SER 9 H SER 9 -6.730 -0.680 2.186 72 HA SER 9 HA SER 9 -8.089 1.621 3.032 73 1HB SER 9 2HB SER 9 -5.966 1.487 0.876 74 2HB SER 9 1HB SER 9 -6.360 2.869 1.899 75 HG SER 9 HG SER 9 -4.593 0.980 2.370 76 H ASN 10 H ASN 10 -7.885 0.053 -0.123 77 HA ASN 10 HA ASN 10 -9.416 2.065 -1.465 78 1HB ASN 10 2HB ASN 10 -8.587 -0.719 -2.292 79 2HB ASN 10 1HB ASN 10 -9.496 0.371 -3.334 80 1HD2 ASN 10 1HD2 ASN 10 -8.475 2.237 -4.129 81 2HD2 ASN 10 2HD2 ASN 10 -6.755 2.392 -4.140 82 H ASN 11 H ASN 11 -10.152 -0.820 0.310 83 HA ASN 11 HA ASN 11 -12.837 -1.101 -0.651 84 1HB ASN 11 2HB ASN 11 -11.448 -2.890 0.546 85 2HB ASN 11 1HB ASN 11 -11.805 -2.027 2.034 86 1HD2 ASN 11 1HD2 ASN 11 -14.551 -1.330 1.023 87 2HD2 ASN 11 2HD2 ASN 11 -15.462 -2.795 1.203 88 H PHE 12 H PHE 12 -11.433 0.170 2.371 89 HA PHE 12 HA PHE 12 -13.634 1.379 3.481 90 1HB PHE 12 2HB PHE 12 -10.738 2.131 3.469 91 2HB PHE 12 1HB PHE 12 -11.908 3.205 4.226 92 HD1 PHE 12 1HD PHE 12 -10.423 -0.164 4.340 93 HD2 PHE 12 2HD PHE 12 -12.891 2.686 6.307 94 HE1 PHE 12 1HE PHE 12 -10.342 -1.520 6.389 95 HE2 PHE 12 2HE PHE 12 -12.814 1.338 8.362 96 HZ PHE 12 HZ PHE 12 -11.541 -0.769 8.407 97 H GLY 13 H GLY 13 -11.309 3.488 1.690 98 1HA GLY 13 2HA GLY 13 -11.688 5.435 0.554 99 2HA GLY 13 1HA GLY 13 -13.061 4.589 -0.132 100 H LYS 14 H LYS 14 -12.674 5.513 3.283 101 HA LYS 14 HA LYS 14 -15.219 6.734 3.363 102 1HB LYS 14 2HB LYS 14 -12.908 6.914 5.305 103 2HB LYS 14 1HB LYS 14 -14.519 7.540 5.621 104 1HG LYS 14 2HG LYS 14 -15.360 5.183 5.245 105 2HG LYS 14 1HG LYS 14 -13.669 4.680 5.300 106 1HD LYS 14 2HD LYS 14 -13.440 5.592 7.536 107 2HD LYS 14 1HD LYS 14 -15.096 6.199 7.481 108 1HE LYS 14 2HE LYS 14 -15.872 3.845 7.197 109 2HE LYS 14 1HE LYS 14 -14.208 3.318 7.462 110 1HZ LYS 14 1HZ LYS 14 -15.425 3.189 9.509 111 2HZ LYS 14 2HZ LYS 14 -15.928 4.802 9.376 112 3HZ LYS 14 3HZ LYS 14 -14.291 4.446 9.641 113 H ALA 15 H ALA 15 -11.960 7.974 2.958 114 HA ALA 15 HA ALA 15 -13.060 10.462 1.947 115 1HB ALA 15 1HB ALA 15 -11.065 10.445 4.211 116 2HB ALA 15 2HB ALA 15 -12.756 10.926 4.330 117 3HB ALA 15 3HB ALA 15 -11.638 11.870 3.347 118 H MET 16 H MET 16 -12.233 10.177 -0.063 119 HA MET 16 HA MET 16 -9.611 9.197 -0.580 120 1HB MET 16 2HB MET 16 -11.354 9.007 -2.263 121 2HB MET 16 1HB MET 16 -11.520 10.755 -2.329 122 1HG MET 16 2HG MET 16 -9.184 10.892 -3.152 123 2HG MET 16 1HG MET 16 -9.141 9.132 -3.206 124 1HE MET 16 1HE MET 16 -10.488 7.657 -4.903 125 2HE MET 16 2HE MET 16 -11.736 8.288 -5.979 126 3HE MET 16 3HE MET 16 -11.981 8.313 -4.233 127 H ASP 17 H ASP 17 -11.046 12.321 -0.125 128 HA ASP 17 HA ASP 17 -9.168 14.041 -1.183 129 1HB ASP 17 2HB ASP 17 -11.370 14.714 -0.296 130 2HB ASP 17 1HB ASP 17 -10.776 14.448 1.339 131 H GLN 18 H GLN 18 -9.044 12.356 1.910 132 HA GLN 18 HA GLN 18 -6.837 14.069 2.710 133 1HB GLN 18 2HB GLN 18 -8.425 12.006 4.199 134 2HB GLN 18 1HB GLN 18 -6.937 12.682 4.854 135 1HG GLN 18 2HG GLN 18 -8.111 14.966 4.279 136 2HG GLN 18 1HG GLN 18 -9.571 13.986 4.392 137 1HE2 GLN 18 1HE2 GLN 18 -10.259 15.132 6.193 138 2HE2 GLN 18 2HE2 GLN 18 -9.557 14.887 7.759 139 H CYS 19 H CYS 19 -7.338 10.809 1.549 140 HA CYS 19 HA CYS 19 -4.627 10.044 2.085 141 1HB CYS 19 2HB CYS 19 -6.326 8.302 1.784 142 2HB CYS 19 1HB CYS 19 -6.606 8.837 0.136 143 H LYS 20 H LYS 20 -6.386 11.579 -0.525 144 HA LYS 20 HA LYS 20 -4.424 11.459 -2.506 145 1HB LYS 20 2HB LYS 20 -7.001 12.463 -2.266 146 2HB LYS 20 1HB LYS 20 -6.018 13.888 -2.579 147 1HG LYS 20 2HG LYS 20 -6.031 11.398 -4.270 148 2HG LYS 20 1HG LYS 20 -6.928 12.874 -4.626 149 1HD LYS 20 2HD LYS 20 -3.963 12.929 -4.199 150 2HD LYS 20 1HD LYS 20 -4.648 12.506 -5.765 151 1HE LYS 20 2HE LYS 20 -5.842 14.644 -5.819 152 2HE LYS 20 1HE LYS 20 -5.165 15.062 -4.246 153 1HZ LYS 20 1HZ LYS 20 -3.461 14.457 -6.595 154 2HZ LYS 20 2HZ LYS 20 -3.016 15.222 -5.147 155 3HZ LYS 20 3HZ LYS 20 -4.014 16.022 -6.258 156 H ASP 21 H ASP 21 -5.132 13.927 -0.065 157 HA ASP 21 HA ASP 21 -3.047 15.652 -1.026 158 1HB ASP 21 2HB ASP 21 -5.147 16.510 -0.009 159 2HB ASP 21 1HB ASP 21 -4.622 15.864 1.542 160 H GLU 22 H GLU 22 -3.418 13.417 1.700 161 HA GLU 22 HA GLU 22 -1.113 14.174 3.103 162 1HB GLU 22 2HB GLU 22 -2.846 12.747 4.064 163 2HB GLU 22 1HB GLU 22 -2.426 11.467 2.952 164 1HG GLU 22 2HG GLU 22 -1.479 10.937 5.055 165 2HG GLU 22 1HG GLU 22 -0.162 11.400 3.977 166 H LEU 23 H LEU 23 -1.513 11.720 0.511 167 HA LEU 23 HA LEU 23 1.335 11.235 0.414 168 1HB LEU 23 2HB LEU 23 -0.950 10.485 -1.381 169 2HB LEU 23 1HB LEU 23 0.700 10.285 -1.919 170 HG LEU 23 HG LEU 23 0.202 8.201 -1.163 171 1HD1 LEU 23 1HD1 LEU 23 1.322 7.817 0.956 172 2HD1 LEU 23 2HD1 LEU 23 1.276 9.546 1.302 173 3HD1 LEU 23 3HD1 LEU 23 2.223 8.943 -0.059 174 1HD2 LEU 23 1HD2 LEU 23 -1.499 9.587 0.829 175 2HD2 LEU 23 2HD2 LEU 23 -0.989 7.928 1.129 176 3HD2 LEU 23 3HD2 LEU 23 -1.926 8.318 -0.316 177 H SER 24 H SER 24 -0.808 13.580 -0.793 178 HA SER 24 HA SER 24 -0.731 15.189 -2.384 179 1HB SER 24 2HB SER 24 2.265 14.877 -2.027 180 2HB SER 24 1HB SER 24 1.460 16.246 -2.799 181 HG SER 24 HG SER 24 0.486 15.642 -0.297 182 H LEU 25 H LEU 25 -1.435 12.966 -3.386 183 HA LEU 25 HA LEU 25 0.358 11.564 -5.095 184 1HB LEU 25 2HB LEU 25 -2.638 11.568 -4.802 185 2HB LEU 25 1HB LEU 25 -1.858 10.640 -6.058 186 HG LEU 25 HG LEU 25 -1.530 10.227 -3.073 187 1HD1 LEU 25 1HD1 LEU 25 -3.664 9.481 -4.083 188 2HD1 LEU 25 2HD1 LEU 25 -2.681 8.165 -3.445 189 3HD1 LEU 25 3HD1 LEU 25 -2.742 8.459 -5.183 190 1HD2 LEU 25 1HD2 LEU 25 -0.147 8.345 -3.640 191 2HD2 LEU 25 2HD2 LEU 25 0.552 9.814 -4.322 192 3HD2 LEU 25 3HD2 LEU 25 -0.325 8.689 -5.360 193 HA PRO 26 HA PRO 26 -0.151 14.326 -8.652 194 1HB PRO 26 2HB PRO 26 1.698 12.460 -9.948 195 2HB PRO 26 1HB PRO 26 1.909 14.180 -9.609 196 1HG PRO 26 2HG PRO 26 3.312 12.292 -8.297 197 2HG PRO 26 1HG PRO 26 2.793 13.794 -7.511 198 1HD PRO 26 2HD PRO 26 1.542 11.075 -7.390 199 2HD PRO 26 1HD PRO 26 1.877 12.200 -6.062 200 H ASP 27 H ASP 27 -1.093 14.029 -10.729 201 HA ASP 27 HA ASP 27 -3.089 12.053 -10.761 202 1HB ASP 27 2HB ASP 27 -3.655 12.897 -13.001 203 2HB ASP 27 1HB ASP 27 -3.454 14.182 -11.817 204 H SER 28 H SER 28 0.111 12.017 -12.108 205 HA SER 28 HA SER 28 -0.241 9.882 -13.920 206 1HB SER 28 2HB SER 28 2.259 10.455 -12.316 207 2HB SER 28 1HB SER 28 2.147 9.689 -13.901 208 HG SER 28 HG SER 28 2.774 11.947 -13.936 209 H VAL 29 H VAL 29 0.397 10.043 -10.477 210 HA VAL 29 HA VAL 29 0.894 7.266 -10.118 211 HB VAL 29 HB VAL 29 0.039 9.310 -8.063 212 1HG1 VAL 29 1HG1 VAL 29 1.602 6.812 -7.494 213 2HG1 VAL 29 2HG1 VAL 29 -0.161 6.777 -7.565 214 3HG1 VAL 29 3HG1 VAL 29 0.652 7.814 -6.394 215 1HG2 VAL 29 1HG2 VAL 29 2.794 8.391 -8.870 216 2HG2 VAL 29 2HG2 VAL 29 2.418 9.503 -7.551 217 3HG2 VAL 29 3HG2 VAL 29 2.081 9.967 -9.219 218 H VAL 30 H VAL 30 -1.926 9.342 -9.383 219 HA VAL 30 HA VAL 30 -3.622 7.320 -8.474 220 HB VAL 30 HB VAL 30 -5.479 8.783 -8.877 221 1HG1 VAL 30 1HG1 VAL 30 -4.593 10.880 -7.827 222 2HG1 VAL 30 2HG1 VAL 30 -2.981 10.186 -7.974 223 3HG1 VAL 30 3HG1 VAL 30 -4.202 9.384 -6.985 224 1HG2 VAL 30 1HG2 VAL 30 -5.264 10.893 -10.095 225 2HG2 VAL 30 2HG2 VAL 30 -4.980 9.503 -11.144 226 3HG2 VAL 30 3HG2 VAL 30 -3.617 10.458 -10.557 227 H ALA 31 H ALA 31 -2.767 8.291 -11.711 228 HA ALA 31 HA ALA 31 -4.787 6.950 -13.144 229 1HB ALA 31 1HB ALA 31 -1.958 7.490 -14.010 230 2HB ALA 31 2HB ALA 31 -3.284 8.652 -14.108 231 3HB ALA 31 3HB ALA 31 -3.335 7.169 -15.066 232 H ASP 32 H ASP 32 -1.440 5.913 -12.409 233 HA ASP 32 HA ASP 32 -1.892 3.266 -13.418 234 1HB ASP 32 2HB ASP 32 0.339 4.628 -11.968 235 2HB ASP 32 1HB ASP 32 0.304 2.867 -11.992 236 H LEU 33 H LEU 33 -1.936 4.774 -10.282 237 HA LEU 33 HA LEU 33 -2.131 2.687 -8.530 238 1HB LEU 33 2HB LEU 33 -2.162 5.200 -8.114 239 2HB LEU 33 1HB LEU 33 -3.885 5.135 -8.416 240 HG LEU 33 HG LEU 33 -4.133 3.593 -6.490 241 1HD1 LEU 33 1HD1 LEU 33 -1.184 4.153 -6.220 242 2HD1 LEU 33 2HD1 LEU 33 -1.964 2.581 -6.426 243 3HD1 LEU 33 3HD1 LEU 33 -2.178 3.481 -4.923 244 1HD2 LEU 33 1HD2 LEU 33 -2.750 6.201 -5.875 245 2HD2 LEU 33 2HD2 LEU 33 -3.778 5.284 -4.773 246 3HD2 LEU 33 3HD2 LEU 33 -4.466 6.001 -6.231 247 H TYR 34 H TYR 34 -4.881 4.264 -10.154 248 HA TYR 34 HA TYR 34 -6.729 2.346 -9.122 249 1HB TYR 34 2HB TYR 34 -6.994 4.660 -11.011 250 2HB TYR 34 1HB TYR 34 -8.354 3.603 -10.634 251 HD1 TYR 34 1HD TYR 34 -5.698 5.564 -8.892 252 HD2 TYR 34 2HD TYR 34 -9.720 4.182 -8.840 253 HE1 TYR 34 1HE TYR 34 -6.094 6.827 -6.831 254 HE2 TYR 34 2HE TYR 34 -10.127 5.449 -6.767 255 HH TYR 34 HH TYR 34 -7.816 7.733 -5.550 256 H ASN 35 H ASN 35 -4.564 1.587 -11.345 257 HA ASN 35 HA ASN 35 -5.993 0.617 -13.556 258 1HB ASN 35 2HB ASN 35 -3.518 0.722 -13.463 259 2HB ASN 35 1HB ASN 35 -3.520 -0.572 -12.268 260 1HD2 ASN 35 1HD2 ASN 35 -2.310 -1.926 -13.576 261 2HD2 ASN 35 2HD2 ASN 35 -2.966 -2.693 -14.982 262 H PHE 36 H PHE 36 -7.639 -0.750 -13.519 263 HA PHE 36 HA PHE 36 -8.250 -2.203 -11.115 264 1HB PHE 36 2HB PHE 36 -9.943 -0.955 -12.477 265 2HB PHE 36 1HB PHE 36 -9.757 -2.167 -13.738 266 HD1 PHE 36 1HD PHE 36 -10.541 -1.897 -10.104 267 HD2 PHE 36 2HD PHE 36 -11.195 -3.958 -13.769 268 HE1 PHE 36 1HE PHE 36 -12.273 -3.269 -9.018 269 HE2 PHE 36 2HE PHE 36 -12.926 -5.332 -12.693 270 HZ PHE 36 HZ PHE 36 -13.469 -4.989 -10.315 271 H TRP 37 H TRP 37 -6.659 -2.945 -14.035 272 HA TRP 37 HA TRP 37 -7.289 -5.782 -13.873 273 1HB TRP 37 2HB TRP 37 -5.568 -4.262 -15.843 274 2HB TRP 37 1HB TRP 37 -5.958 -5.978 -15.943 275 HD1 TRP 37 HD TRP 37 -8.652 -6.555 -16.273 276 HE1 TRP 37 1HE TRP 37 -10.445 -5.254 -17.582 277 HE3 TRP 37 3HE TRP 37 -6.287 -2.037 -16.600 278 HZ2 TRP 37 2HZ TRP 37 -10.799 -2.652 -18.624 279 HZ3 TRP 37 3HZ TRP 37 -7.416 -0.195 -17.774 280 HH2 TRP 37 HH TRP 37 -9.625 -0.498 -18.765 281 H LYS 38 H LYS 38 -6.094 -7.186 -12.807 282 HA LYS 38 HA LYS 38 -3.678 -6.373 -11.488 283 1HB LYS 38 2HB LYS 38 -4.881 -9.138 -11.709 284 2HB LYS 38 1HB LYS 38 -3.657 -8.621 -10.556 285 1HG LYS 38 2HG LYS 38 -5.271 -7.065 -9.561 286 2HG LYS 38 1HG LYS 38 -6.500 -7.635 -10.694 287 1HD LYS 38 2HD LYS 38 -6.200 -9.926 -9.780 288 2HD LYS 38 1HD LYS 38 -5.087 -9.263 -8.582 289 1HE LYS 38 2HE LYS 38 -7.252 -9.500 -7.578 290 2HE LYS 38 1HE LYS 38 -6.907 -7.785 -7.782 291 1HZ LYS 38 1HZ LYS 38 -8.312 -7.737 -9.717 292 2HZ LYS 38 2HZ LYS 38 -9.182 -8.376 -8.415 293 3HZ LYS 38 3HZ LYS 38 -8.583 -9.408 -9.621 294 H ASP 39 H ASP 39 -2.864 -5.838 -13.781 295 HA ASP 39 HA ASP 39 -1.895 -7.701 -15.552 296 1HB ASP 39 2HB ASP 39 -1.878 -5.274 -15.877 297 2HB ASP 39 1HB ASP 39 -0.546 -5.133 -14.736 298 H ASP 40 H ASP 40 -0.617 -7.467 -12.296 299 HA ASP 40 HA ASP 40 1.282 -8.143 -11.303 300 1HB ASP 40 2HB ASP 40 0.745 -10.343 -12.282 301 2HB ASP 40 1HB ASP 40 1.612 -9.904 -13.750 302 H TYR 41 H TYR 41 1.866 -5.911 -11.776 303 HA TYR 41 HA TYR 41 4.132 -5.715 -13.639 304 1HB TYR 41 2HB TYR 41 3.621 -3.191 -13.463 305 2HB TYR 41 1HB TYR 41 2.531 -4.186 -14.420 306 HD1 TYR 41 1HD TYR 41 0.244 -4.198 -13.967 307 HD2 TYR 41 2HD TYR 41 2.922 -2.677 -11.033 308 HE1 TYR 41 1HE TYR 41 -1.668 -3.443 -12.624 309 HE2 TYR 41 2HE TYR 41 1.019 -1.916 -9.679 310 HH TYR 41 HH TYR 41 -1.349 -1.332 -9.960 311 H VAL 42 H VAL 42 5.804 -4.105 -12.938 312 HA VAL 42 HA VAL 42 6.438 -4.546 -10.138 313 HB VAL 42 HB VAL 42 8.058 -3.089 -12.236 314 1HG1 VAL 42 1HG1 VAL 42 8.834 -4.195 -9.539 315 2HG1 VAL 42 2HG1 VAL 42 8.697 -2.491 -9.973 316 3HG1 VAL 42 3HG1 VAL 42 9.943 -3.492 -10.718 317 1HG2 VAL 42 1HG2 VAL 42 7.724 -5.371 -12.938 318 2HG2 VAL 42 2HG2 VAL 42 8.174 -5.967 -11.340 319 3HG2 VAL 42 3HG2 VAL 42 9.378 -5.178 -12.359 320 H MET 43 H MET 43 5.776 -3.171 -8.636 321 HA MET 43 HA MET 43 4.779 -0.561 -9.292 322 1HB MET 43 2HB MET 43 3.772 -1.887 -7.502 323 2HB MET 43 1HB MET 43 5.287 -1.875 -6.613 324 1HG MET 43 2HG MET 43 5.119 0.480 -6.238 325 2HG MET 43 1HG MET 43 3.710 0.591 -7.293 326 1HE MET 43 1HE MET 43 1.327 -0.366 -6.702 327 2HE MET 43 2HE MET 43 0.989 -1.331 -5.265 328 3HE MET 43 3HE MET 43 2.044 -1.967 -6.526 329 H THR 44 H THR 44 6.258 0.894 -9.950 330 HA THR 44 HA THR 44 8.766 1.093 -8.444 331 HB THR 44 HB THR 44 9.462 2.480 -10.513 332 HG1 THR 44 1HG THR 44 7.869 1.031 -12.151 333 1HG2 THR 44 1HG2 THR 44 8.961 -0.492 -10.734 334 2HG2 THR 44 2HG2 THR 44 10.369 0.272 -9.998 335 3HG2 THR 44 3HG2 THR 44 10.082 0.435 -11.730 336 H ASP 45 H ASP 45 5.841 2.777 -9.055 337 HA ASP 45 HA ASP 45 6.922 5.394 -8.542 338 1HB ASP 45 2HB ASP 45 4.837 5.043 -9.882 339 2HB ASP 45 1HB ASP 45 4.033 4.548 -8.401 340 H ARG 46 H ARG 46 7.075 6.458 -6.690 341 HA ARG 46 HA ARG 46 7.281 4.814 -4.364 342 1HB ARG 46 2HB ARG 46 7.679 7.818 -4.665 343 2HB ARG 46 1HB ARG 46 8.004 6.912 -3.205 344 1HG ARG 46 2HG ARG 46 10.046 7.361 -4.359 345 2HG ARG 46 1HG ARG 46 9.732 5.631 -4.410 346 1HD ARG 46 2HD ARG 46 9.191 5.687 -6.680 347 2HD ARG 46 1HD ARG 46 8.912 7.428 -6.666 348 HE ARG 46 HE ARG 46 11.402 7.595 -6.269 349 1HH1 ARG 46 1HH1 ARG 46 9.996 4.863 -7.969 350 2HH1 ARG 46 2HH1 ARG 46 11.415 4.585 -8.934 351 1HH2 ARG 46 1HH2 ARG 46 13.235 7.247 -7.575 352 2HH2 ARG 46 2HH2 ARG 46 13.228 5.965 -8.749 353 H LEU 47 H LEU 47 4.819 6.859 -5.673 354 HA LEU 47 HA LEU 47 3.652 7.482 -3.105 355 1HB LEU 47 2HB LEU 47 2.987 8.172 -5.948 356 2HB LEU 47 1HB LEU 47 1.796 8.402 -4.686 357 HG LEU 47 HG LEU 47 2.853 10.490 -5.039 358 1HD1 LEU 47 1HD1 LEU 47 2.454 9.750 -2.699 359 2HD1 LEU 47 2HD1 LEU 47 3.698 10.991 -2.876 360 3HD1 LEU 47 3HD1 LEU 47 4.160 9.310 -2.601 361 1HD2 LEU 47 1HD2 LEU 47 4.842 9.627 -6.203 362 2HD2 LEU 47 2HD2 LEU 47 5.510 9.119 -4.648 363 3HD2 LEU 47 3HD2 LEU 47 5.245 10.833 -4.975 364 H ALA 48 H ALA 48 3.595 4.931 -5.313 365 HA ALA 48 HA ALA 48 0.835 4.201 -4.869 366 1HB ALA 48 1HB ALA 48 2.023 3.740 -7.002 367 2HB ALA 48 2HB ALA 48 1.281 2.315 -6.283 368 3HB ALA 48 3HB ALA 48 3.023 2.569 -6.152 369 H GLY 49 H GLY 49 3.897 2.455 -4.399 370 1HA GLY 49 2HA GLY 49 3.464 0.769 -2.388 371 2HA GLY 49 1HA GLY 49 4.879 1.805 -2.389 372 H CYS 50 H CYS 50 3.835 4.314 -1.686 373 HA CYS 50 HA CYS 50 3.362 3.908 1.080 374 1HB CYS 50 2HB CYS 50 3.490 6.313 -0.694 375 2HB CYS 50 1HB CYS 50 2.874 6.478 0.939 376 H ALA 51 H ALA 51 1.212 4.861 -1.593 377 HA ALA 51 HA ALA 51 -1.022 5.436 0.081 378 1HB ALA 51 1HB ALA 51 -0.755 6.412 -2.153 379 2HB ALA 51 2HB ALA 51 -2.305 5.591 -1.966 380 3HB ALA 51 3HB ALA 51 -0.999 4.817 -2.865 381 H ILE 52 H ILE 52 0.319 2.469 -0.798 382 HA ILE 52 HA ILE 52 -1.906 0.798 -0.926 383 HB ILE 52 HB ILE 52 0.749 0.285 0.433 384 1HG1 ILE 52 2HG1 ILE 52 0.963 0.785 -1.946 385 2HG1 ILE 52 1HG1 ILE 52 1.304 -0.914 -1.648 386 1HG2 ILE 52 1HG2 ILE 52 -1.373 -1.697 -0.379 387 2HG2 ILE 52 2HG2 ILE 52 -0.917 -1.271 1.271 388 3HG2 ILE 52 3HG2 ILE 52 0.234 -2.100 0.225 389 1HD1 ILE 52 1HD1 ILE 52 -1.285 0.192 -2.721 390 2HD1 ILE 52 2HD1 ILE 52 -0.917 -1.510 -2.449 391 3HD1 ILE 52 3HD1 ILE 52 -0.023 -0.600 -3.666 392 H ASN 53 H ASN 53 -0.551 2.557 1.750 393 HA ASN 53 HA ASN 53 -2.808 1.809 3.404 394 1HB ASN 53 2HB ASN 53 -1.448 1.265 5.381 395 2HB ASN 53 1HB ASN 53 -1.165 0.129 4.075 396 1HD2 ASN 53 1HD2 ASN 53 0.656 1.759 2.574 397 2HD2 ASN 53 2HD2 ASN 53 2.115 1.873 3.485 398 H CYS 54 H CYS 54 -3.467 3.956 3.086 399 HA CYS 54 HA CYS 54 -1.697 5.979 4.287 400 1HB CYS 54 2HB CYS 54 -2.968 7.630 2.925 401 2HB CYS 54 1HB CYS 54 -2.098 6.436 1.965 402 H LEU 55 H LEU 55 -5.122 5.011 4.068 403 HA LEU 55 HA LEU 55 -6.109 7.173 5.575 404 1HB LEU 55 2HB LEU 55 -7.473 5.841 4.026 405 2HB LEU 55 1HB LEU 55 -7.355 4.467 5.108 406 HG LEU 55 HG LEU 55 -8.581 5.740 6.838 407 1HD1 LEU 55 1HD1 LEU 55 -9.702 7.826 6.220 408 2HD1 LEU 55 2HD1 LEU 55 -8.863 7.816 4.669 409 3HD1 LEU 55 3HD1 LEU 55 -7.947 7.991 6.165 410 1HD2 LEU 55 1HD2 LEU 55 -9.988 5.579 4.176 411 2HD2 LEU 55 2HD2 LEU 55 -10.767 5.647 5.755 412 3HD2 LEU 55 3HD2 LEU 55 -9.782 4.252 5.316 413 H ALA 56 H ALA 56 -5.619 3.775 6.551 414 HA ALA 56 HA ALA 56 -6.428 4.410 9.249 415 1HB ALA 56 1HB ALA 56 -5.341 1.837 8.106 416 2HB ALA 56 2HB ALA 56 -7.045 2.267 8.239 417 3HB ALA 56 3HB ALA 56 -6.079 2.036 9.694 418 H THR 57 H THR 57 -3.557 4.455 7.474 419 HA THR 57 HA THR 57 -1.751 3.963 9.617 420 HB THR 57 HB THR 57 -1.228 5.438 7.039 421 HG1 THR 57 1HG THR 57 -0.569 3.389 6.272 422 1HG2 THR 57 1HG2 THR 57 0.488 4.324 9.186 423 2HG2 THR 57 2HG2 THR 57 0.616 5.873 8.351 424 3HG2 THR 57 3HG2 THR 57 1.095 4.383 7.534 425 H LYS 58 H LYS 58 -3.294 6.825 8.225 426 HA LYS 58 HA LYS 58 -1.869 8.597 10.004 427 1HB LYS 58 2HB LYS 58 -4.344 9.191 8.375 428 2HB LYS 58 1HB LYS 58 -3.244 10.361 9.083 429 1HG LYS 58 2HG LYS 58 -2.472 8.417 6.918 430 2HG LYS 58 1HG LYS 58 -3.021 10.062 6.617 431 1HD LYS 58 2HD LYS 58 -0.444 9.118 7.840 432 2HD LYS 58 1HD LYS 58 -0.715 10.248 6.523 433 1HE LYS 58 2HE LYS 58 -1.661 11.866 8.124 434 2HE LYS 58 1HE LYS 58 -1.285 10.754 9.438 435 1HZ LYS 58 1HZ LYS 58 0.706 11.965 7.590 436 2HZ LYS 58 2HZ LYS 58 1.056 10.931 8.888 437 3HZ LYS 58 3HZ LYS 58 0.408 12.470 9.181 438 H LEU 59 H LEU 59 -4.843 6.793 10.036 439 HA LEU 59 HA LEU 59 -6.076 8.109 12.181 440 1HB LEU 59 2HB LEU 59 -6.231 5.257 11.277 441 2HB LEU 59 1HB LEU 59 -7.235 5.927 12.551 442 HG LEU 59 HG LEU 59 -7.201 6.805 9.662 443 1HD1 LEU 59 1HD1 LEU 59 -8.292 4.655 10.182 444 2HD1 LEU 59 2HD1 LEU 59 -9.390 5.873 9.542 445 3HD1 LEU 59 3HD1 LEU 59 -9.383 5.506 11.269 446 1HD2 LEU 59 1HD2 LEU 59 -9.030 8.296 10.274 447 2HD2 LEU 59 2HD2 LEU 59 -7.561 8.703 11.163 448 3HD2 LEU 59 3HD2 LEU 59 -8.862 7.824 11.966 449 H ASP 60 H ASP 60 -4.161 5.060 12.284 450 HA ASP 60 HA ASP 60 -2.711 5.786 14.584 451 1HB ASP 60 2HB ASP 60 -4.922 5.628 15.696 452 2HB ASP 60 1HB ASP 60 -5.049 3.952 15.170 453 H VAL 61 H VAL 61 -0.921 4.697 14.112 454 HA VAL 61 HA VAL 61 -0.858 1.851 14.137 455 HB VAL 61 HB VAL 61 -1.778 2.354 11.838 456 1HG1 VAL 61 1HG1 VAL 61 -0.511 4.364 11.379 457 2HG1 VAL 61 2HG1 VAL 61 -0.219 3.148 10.135 458 3HG1 VAL 61 3HG1 VAL 61 0.990 3.438 11.385 459 1HG2 VAL 61 1HG2 VAL 61 0.897 0.999 11.710 460 2HG2 VAL 61 2HG2 VAL 61 -0.543 0.664 10.746 461 3HG2 VAL 61 3HG2 VAL 61 -0.518 0.263 12.464 462 H VAL 62 H VAL 62 0.437 4.079 15.448 463 HA VAL 62 HA VAL 62 3.158 3.965 14.351 464 HB VAL 62 HB VAL 62 3.648 6.031 15.521 465 1HG1 VAL 62 1HG1 VAL 62 2.846 6.538 13.411 466 2HG1 VAL 62 2HG1 VAL 62 1.809 7.509 14.454 467 3HG1 VAL 62 3HG1 VAL 62 1.216 5.988 13.790 468 1HG2 VAL 62 1HG2 VAL 62 2.288 5.752 17.513 469 2HG2 VAL 62 2HG2 VAL 62 0.816 5.906 16.554 470 3HG2 VAL 62 3HG2 VAL 62 1.903 7.283 16.726 471 H ASP 63 H ASP 63 4.546 2.649 15.357 472 HA ASP 63 HA ASP 63 4.057 1.618 17.969 473 1HB ASP 63 2HB ASP 63 5.466 0.669 15.892 474 2HB ASP 63 1HB ASP 63 6.782 1.395 16.804 475 HA PRO 64 HA PRO 64 7.605 4.319 19.461 476 1HB PRO 64 2HB PRO 64 9.150 5.629 17.541 477 2HB PRO 64 1HB PRO 64 9.444 4.003 18.159 478 1HG PRO 64 2HG PRO 64 8.728 4.688 15.522 479 2HG PRO 64 1HG PRO 64 8.743 3.060 16.221 480 1HD PRO 64 2HD PRO 64 6.459 4.968 15.905 481 2HD PRO 64 1HD PRO 64 6.484 3.209 15.695 482 H ASP 65 H ASP 65 8.836 6.805 18.404 483 HA ASP 65 HA ASP 65 7.010 8.637 19.597 484 1HB ASP 65 2HB ASP 65 9.599 8.657 19.604 485 2HB ASP 65 1HB ASP 65 9.463 9.417 18.027 486 H GLY 66 H GLY 66 6.928 7.357 16.597 487 1HA GLY 66 2HA GLY 66 5.079 8.661 15.279 488 2HA GLY 66 1HA GLY 66 6.363 9.849 15.169 489 H ASN 67 H ASN 67 8.477 8.956 14.427 490 HA ASN 67 HA ASN 67 8.090 7.801 11.841 491 1HB ASN 67 2HB ASN 67 10.605 8.029 11.722 492 2HB ASN 67 1HB ASN 67 9.739 9.525 12.065 493 1HD2 ASN 67 1HD2 ASN 67 11.872 7.091 13.335 494 2HD2 ASN 67 2HD2 ASN 67 12.289 7.924 14.794 495 H LEU 68 H LEU 68 8.849 5.852 11.054 496 HA LEU 68 HA LEU 68 9.704 3.759 10.982 497 1HB LEU 68 2HB LEU 68 11.065 4.752 13.453 498 2HB LEU 68 1HB LEU 68 11.174 3.057 13.032 499 HG LEU 68 HG LEU 68 13.141 4.314 12.292 500 1HD1 LEU 68 1HD1 LEU 68 11.553 3.455 9.885 501 2HD1 LEU 68 2HD1 LEU 68 12.282 2.329 11.026 502 3HD1 LEU 68 3HD1 LEU 68 13.302 3.431 10.102 503 1HD2 LEU 68 1HD2 LEU 68 11.222 5.834 10.532 504 2HD2 LEU 68 2HD2 LEU 68 12.983 5.940 10.479 505 3HD2 LEU 68 3HD2 LEU 68 12.110 6.484 11.911 506 H HIS 69 H HIS 69 7.082 4.204 12.064 507 HA HIS 69 HA HIS 69 6.667 2.343 14.175 508 1HB HIS 69 2HB HIS 69 4.244 2.415 13.335 509 2HB HIS 69 1HB HIS 69 4.946 3.898 13.955 510 HD1 HIS 69 1HD HIS 69 4.078 2.256 10.638 511 HD2 HIS 69 2HD HIS 69 4.861 6.020 12.221 512 HE1 HIS 69 1HE HIS 69 3.528 3.890 8.807 513 HE2 HIS 69 2HE HIS 69 3.837 6.167 9.851 514 H HIS 70 H HIS 70 7.900 0.552 13.479 515 HA HIS 70 HA HIS 70 7.053 -0.854 11.098 516 1HB HIS 70 2HB HIS 70 8.920 -2.451 11.718 517 2HB HIS 70 1HB HIS 70 9.394 -0.805 11.333 518 HD1 HIS 70 1HD HIS 70 10.016 0.731 13.484 519 HD2 HIS 70 2HD HIS 70 9.814 -3.370 14.129 520 HE1 HIS 70 1HE HIS 70 11.221 0.320 15.647 521 HE2 HIS 70 2HE HIS 70 11.327 -2.188 15.851 522 H GLY 71 H GLY 71 7.315 -1.754 14.568 523 1HA GLY 71 2HA GLY 71 6.401 -4.397 14.156 524 2HA GLY 71 1HA GLY 71 6.480 -3.567 15.699 525 H ASN 72 H ASN 72 4.724 -1.807 15.884 526 HA ASN 72 HA ASN 72 2.280 -3.117 16.084 527 1HB ASN 72 2HB ASN 72 2.982 -1.088 17.369 528 2HB ASN 72 1HB ASN 72 2.643 -0.114 15.944 529 1HD2 ASN 72 1HD2 ASN 72 1.108 1.056 17.145 530 2HD2 ASN 72 2HD2 ASN 72 -0.454 0.402 17.488 531 H ALA 73 H ALA 73 3.595 -1.450 13.319 532 HA ALA 73 HA ALA 73 1.094 -1.082 11.977 533 1HB ALA 73 1HB ALA 73 3.038 0.302 11.448 534 2HB ALA 73 2HB ALA 73 2.443 -0.543 10.021 535 3HB ALA 73 3HB ALA 73 3.890 -1.119 10.847 536 H LYS 74 H LYS 74 3.573 -3.574 12.042 537 HA LYS 74 HA LYS 74 2.356 -5.052 9.896 538 1HB LYS 74 2HB LYS 74 4.428 -6.015 11.859 539 2HB LYS 74 1HB LYS 74 4.015 -6.747 10.315 540 1HG LYS 74 2HG LYS 74 5.483 -4.195 10.846 541 2HG LYS 74 1HG LYS 74 5.980 -5.597 9.911 542 1HD LYS 74 2HD LYS 74 3.653 -3.901 9.083 543 2HD LYS 74 1HD LYS 74 5.305 -3.498 8.624 544 1HE LYS 74 2HE LYS 74 5.528 -5.685 7.539 545 2HE LYS 74 1HE LYS 74 3.872 -6.077 7.998 546 1HZ LYS 74 1HZ LYS 74 3.004 -4.608 6.483 547 2HZ LYS 74 2HZ LYS 74 4.392 -5.114 5.646 548 3HZ LYS 74 3HZ LYS 74 4.386 -3.627 6.456 549 H ASP 75 H ASP 75 2.379 -5.115 13.405 550 HA ASP 75 HA ASP 75 0.753 -7.396 13.771 551 1HB ASP 75 2HB ASP 75 1.985 -6.316 15.615 552 2HB ASP 75 1HB ASP 75 0.954 -4.897 15.473 553 H PHE 76 H PHE 76 0.072 -4.008 13.179 554 HA PHE 76 HA PHE 76 -2.701 -3.973 13.366 555 1HB PHE 76 2HB PHE 76 -1.336 -1.960 13.092 556 2HB PHE 76 1HB PHE 76 -0.873 -2.471 11.475 557 HD1 PHE 76 1HD PHE 76 -2.244 -2.016 9.612 558 HD2 PHE 76 2HD PHE 76 -3.688 -1.291 13.549 559 HE1 PHE 76 1HE PHE 76 -4.153 -0.779 8.679 560 HE2 PHE 76 2HE PHE 76 -5.600 -0.054 12.619 561 HZ PHE 76 HZ PHE 76 -5.834 0.201 10.184 562 H ALA 77 H ALA 77 -0.599 -4.977 10.709 563 HA ALA 77 HA ALA 77 -2.680 -5.579 8.861 564 1HB ALA 77 1HB ALA 77 -0.908 -7.030 7.796 565 2HB ALA 77 2HB ALA 77 0.167 -6.520 9.097 566 3HB ALA 77 3HB ALA 77 -0.497 -5.326 7.982 567 H MET 78 H MET 78 -1.085 -7.379 11.395 568 HA MET 78 HA MET 78 -1.979 -9.958 10.657 569 1HB MET 78 2HB MET 78 -1.182 -8.930 13.389 570 2HB MET 78 1HB MET 78 -1.294 -10.623 12.928 571 1HG MET 78 2HG MET 78 0.521 -10.339 11.355 572 2HG MET 78 1HG MET 78 0.602 -8.619 11.730 573 1HE MET 78 1HE MET 78 3.893 -9.691 13.360 574 2HE MET 78 2HE MET 78 3.048 -8.306 12.666 575 3HE MET 78 3HE MET 78 3.169 -9.812 11.754 576 H LYS 79 H LYS 79 -3.382 -7.464 12.707 577 HA LYS 79 HA LYS 79 -5.420 -9.314 13.616 578 1HB LYS 79 2HB LYS 79 -5.268 -6.344 14.190 579 2HB LYS 79 1HB LYS 79 -6.152 -7.571 15.083 580 1HG LYS 79 2HG LYS 79 -3.154 -7.472 14.862 581 2HG LYS 79 1HG LYS 79 -4.084 -6.802 16.201 582 1HD LYS 79 2HD LYS 79 -4.897 -8.967 16.809 583 2HD LYS 79 1HD LYS 79 -4.207 -9.689 15.354 584 1HE LYS 79 2HE LYS 79 -2.899 -10.091 17.451 585 2HE LYS 79 1HE LYS 79 -1.988 -9.350 16.138 586 1HZ LYS 79 1HZ LYS 79 -3.252 -7.706 18.246 587 2HZ LYS 79 2HZ LYS 79 -1.973 -7.295 17.206 588 3HZ LYS 79 3HZ LYS 79 -1.722 -8.392 18.469 589 H HIS 80 H HIS 80 -4.924 -7.249 10.971 590 HA HIS 80 HA HIS 80 -7.801 -7.271 10.382 591 1HB HIS 80 2HB HIS 80 -6.156 -4.836 9.734 592 2HB HIS 80 1HB HIS 80 -7.905 -4.995 9.803 593 HD1 HIS 80 1HD HIS 80 -5.363 -3.399 11.547 594 HD2 HIS 80 2HD HIS 80 -8.512 -5.801 12.764 595 HE1 HIS 80 1HE HIS 80 -5.721 -2.854 13.972 596 HE2 HIS 80 2HE HIS 80 -7.549 -4.413 14.720 597 H GLY 81 H GLY 81 -7.293 -8.989 8.881 598 1HA GLY 81 2HA GLY 81 -7.587 -8.976 6.449 599 2HA GLY 81 1HA GLY 81 -6.273 -7.820 6.369 600 H ALA 82 H ALA 82 -4.250 -8.741 7.610 601 HA ALA 82 HA ALA 82 -3.489 -11.013 6.034 602 1HB ALA 82 1HB ALA 82 -1.267 -10.578 7.017 603 2HB ALA 82 2HB ALA 82 -1.973 -9.293 7.984 604 3HB ALA 82 3HB ALA 82 -1.960 -9.173 6.225 605 H ASP 83 H ASP 83 -3.351 -13.038 6.666 606 HA ASP 83 HA ASP 83 -4.067 -13.844 9.330 607 1HB ASP 83 2HB ASP 83 -3.060 -15.384 6.940 608 2HB ASP 83 1HB ASP 83 -3.454 -16.132 8.491 609 H GLU 84 H GLU 84 -2.876 -14.887 10.760 610 HA GLU 84 HA GLU 84 -0.561 -13.572 11.398 611 1HB GLU 84 2HB GLU 84 -1.515 -14.396 13.251 612 2HB GLU 84 1HB GLU 84 -2.193 -15.780 12.410 613 1HG GLU 84 2HG GLU 84 -0.775 -16.727 13.927 614 2HG GLU 84 1HG GLU 84 0.168 -16.674 12.446 615 H THR 85 H THR 85 -1.000 -16.609 9.636 616 HA THR 85 HA THR 85 1.769 -17.275 9.657 617 HB THR 85 HB THR 85 -0.402 -18.757 9.158 618 HG1 THR 85 1HG THR 85 1.046 -20.324 8.558 619 1HG2 THR 85 1HG2 THR 85 -0.850 -17.607 7.004 620 2HG2 THR 85 2HG2 THR 85 -0.591 -19.337 6.827 621 3HG2 THR 85 3HG2 THR 85 0.691 -18.204 6.397 622 H MET 86 H MET 86 -0.187 -15.084 7.736 623 HA MET 86 HA MET 86 1.657 -15.254 5.477 624 1HB MET 86 2HB MET 86 -0.586 -13.260 5.709 625 2HB MET 86 1HB MET 86 0.170 -13.894 4.255 626 1HG MET 86 2HG MET 86 -0.797 -16.129 4.870 627 2HG MET 86 1HG MET 86 -1.718 -15.285 6.113 628 1HE MET 86 1HE MET 86 -3.701 -12.719 3.698 629 2HE MET 86 2HE MET 86 -2.102 -12.478 4.404 630 3HE MET 86 3HE MET 86 -3.410 -13.133 5.388 631 H ALA 87 H ALA 87 0.644 -13.116 8.020 632 HA ALA 87 HA ALA 87 2.303 -10.933 7.407 633 1HB ALA 87 1HB ALA 87 1.088 -11.951 9.956 634 2HB ALA 87 2HB ALA 87 0.526 -10.621 8.938 635 3HB ALA 87 3HB ALA 87 2.013 -10.449 9.873 636 H GLN 88 H GLN 88 2.781 -13.877 9.297 637 HA GLN 88 HA GLN 88 5.355 -13.026 10.279 638 1HB GLN 88 2HB GLN 88 3.579 -15.321 10.677 639 2HB GLN 88 1HB GLN 88 5.290 -15.730 10.713 640 1HG GLN 88 2HG GLN 88 4.185 -15.119 12.921 641 2HG GLN 88 1HG GLN 88 5.710 -14.326 12.531 642 1HE2 GLN 88 1HE2 GLN 88 2.276 -13.917 12.942 643 2HE2 GLN 88 2HE2 GLN 88 2.296 -12.178 12.925 644 H GLN 89 H GLN 89 4.197 -14.833 7.545 645 HA GLN 89 HA GLN 89 6.801 -15.753 6.765 646 1HB GLN 89 2HB GLN 89 4.053 -15.881 5.701 647 2HB GLN 89 1HB GLN 89 5.317 -15.859 4.483 648 1HG GLN 89 2HG GLN 89 4.478 -18.117 5.288 649 2HG GLN 89 1HG GLN 89 6.226 -17.880 5.214 650 1HE2 GLN 89 1HE2 GLN 89 3.486 -18.447 7.217 651 2HE2 GLN 89 2HE2 GLN 89 4.337 -18.689 8.699 652 H LEU 90 H LEU 90 4.973 -12.846 6.395 653 HA LEU 90 HA LEU 90 6.529 -11.860 4.156 654 1HB LEU 90 2HB LEU 90 4.195 -11.263 4.258 655 2HB LEU 90 1HB LEU 90 4.392 -10.608 5.870 656 HG LEU 90 HG LEU 90 5.844 -8.826 4.933 657 1HD1 LEU 90 1HD1 LEU 90 5.844 -8.452 2.520 658 2HD1 LEU 90 2HD1 LEU 90 4.990 -9.978 2.284 659 3HD1 LEU 90 3HD1 LEU 90 6.626 -9.976 2.941 660 1HD2 LEU 90 1HD2 LEU 90 3.482 -8.428 5.337 661 2HD2 LEU 90 2HD2 LEU 90 3.090 -9.042 3.732 662 3HD2 LEU 90 3HD2 LEU 90 4.027 -7.558 3.904 663 H VAL 91 H VAL 91 6.123 -11.101 7.599 664 HA VAL 91 HA VAL 91 7.705 -8.807 7.709 665 HB VAL 91 HB VAL 91 7.930 -9.325 10.151 666 1HG1 VAL 91 1HG1 VAL 91 5.489 -9.187 10.626 667 2HG1 VAL 91 2HG1 VAL 91 5.193 -9.487 8.911 668 3HG1 VAL 91 3HG1 VAL 91 6.049 -8.030 9.417 669 1HG2 VAL 91 1HG2 VAL 91 6.737 -11.857 9.219 670 2HG2 VAL 91 2HG2 VAL 91 6.352 -11.271 10.836 671 3HG2 VAL 91 3HG2 VAL 91 8.029 -11.597 10.389 672 H ASP 92 H ASP 92 8.652 -12.191 7.929 673 HA ASP 92 HA ASP 92 11.232 -11.753 8.959 674 1HB ASP 92 2HB ASP 92 10.294 -13.948 9.110 675 2HB ASP 92 1HB ASP 92 10.081 -14.051 7.368 676 H ILE 93 H ILE 93 9.991 -12.039 5.659 677 HA ILE 93 HA ILE 93 12.468 -11.697 4.364 678 HB ILE 93 HB ILE 93 9.625 -11.419 3.537 679 1HG1 ILE 93 2HG1 ILE 93 10.403 -13.621 3.429 680 2HG1 ILE 93 1HG1 ILE 93 10.552 -13.027 1.780 681 1HG2 ILE 93 1HG2 ILE 93 10.901 -9.507 2.525 682 2HG2 ILE 93 2HG2 ILE 93 10.129 -10.610 1.380 683 3HG2 ILE 93 3HG2 ILE 93 11.866 -10.713 1.668 684 1HD1 ILE 93 1HD1 ILE 93 12.807 -13.158 3.759 685 2HD1 ILE 93 2HD1 ILE 93 12.915 -12.685 2.062 686 3HD1 ILE 93 3HD1 ILE 93 12.494 -14.343 2.490 687 H ILE 94 H ILE 94 9.979 -9.417 5.421 688 HA ILE 94 HA ILE 94 10.981 -7.120 4.224 689 HB ILE 94 HB ILE 94 9.629 -7.258 6.904 690 1HG1 ILE 94 2HG1 ILE 94 8.516 -6.891 4.114 691 2HG1 ILE 94 1HG1 ILE 94 8.351 -8.342 5.102 692 1HG2 ILE 94 1HG2 ILE 94 10.768 -5.100 6.441 693 2HG2 ILE 94 2HG2 ILE 94 9.014 -4.945 6.498 694 3HG2 ILE 94 3HG2 ILE 94 9.846 -4.966 4.944 695 1HD1 ILE 94 1HD1 ILE 94 7.279 -6.785 6.805 696 2HD1 ILE 94 2HD1 ILE 94 6.337 -7.265 5.395 697 3HD1 ILE 94 3HD1 ILE 94 7.089 -5.666 5.459 698 H HIS 95 H HIS 95 11.781 -8.454 7.443 699 HA HIS 95 HA HIS 95 13.683 -6.419 8.032 700 1HB HIS 95 2HB HIS 95 13.414 -9.206 9.176 701 2HB HIS 95 1HB HIS 95 14.458 -7.952 9.819 702 HD1 HIS 95 1HD HIS 95 13.348 -7.664 12.033 703 HD2 HIS 95 2HD HIS 95 10.690 -7.342 8.864 704 HE1 HIS 95 1HE HIS 95 11.175 -6.943 13.027 705 HE2 HIS 95 2HE HIS 95 9.533 -7.056 11.152 706 H GLY 96 H GLY 96 13.891 -9.493 6.363 707 1HA GLY 96 2HA GLY 96 16.768 -9.627 6.632 708 2HA GLY 96 1HA GLY 96 15.743 -10.778 5.789 709 H CYS 97 H CYS 97 14.441 -9.097 4.005 710 HA CYS 97 HA CYS 97 16.481 -8.796 2.072 711 1HB CYS 97 2HB CYS 97 13.574 -8.006 1.904 712 2HB CYS 97 1HB CYS 97 14.699 -8.067 0.551 713 H GLU 98 H GLU 98 14.606 -6.449 4.043 714 HA GLU 98 HA GLU 98 15.841 -4.166 2.956 715 1HB GLU 98 2HB GLU 98 14.398 -4.765 5.461 716 2HB GLU 98 1HB GLU 98 15.529 -3.422 5.554 717 1HG GLU 98 2HG GLU 98 14.402 -2.459 3.537 718 2HG GLU 98 1HG GLU 98 13.177 -3.716 3.708 719 H LYS 99 H LYS 99 16.927 -6.403 5.482 720 HA LYS 99 HA LYS 99 19.235 -4.924 6.189 721 1HB LYS 99 2HB LYS 99 18.434 -6.638 7.676 722 2HB LYS 99 1HB LYS 99 18.595 -7.869 6.429 723 1HG LYS 99 2HG LYS 99 20.389 -8.038 8.052 724 2HG LYS 99 1HG LYS 99 21.018 -7.591 6.465 725 1HD LYS 99 2HD LYS 99 20.895 -5.178 7.283 726 2HD LYS 99 1HD LYS 99 20.675 -5.857 8.897 727 1HE LYS 99 2HE LYS 99 23.001 -6.417 7.061 728 2HE LYS 99 1HE LYS 99 23.024 -5.298 8.422 729 1HZ LYS 99 1HZ LYS 99 23.994 -7.449 8.983 730 2HZ LYS 99 2HZ LYS 99 22.528 -8.227 8.624 731 3HZ LYS 99 3HZ LYS 99 22.611 -7.136 9.917 732 H SER 100 H SER 100 18.637 -7.451 3.798 733 HA SER 100 HA SER 100 21.420 -7.347 2.929 734 1HB SER 100 2HB SER 100 19.230 -9.104 1.815 735 2HB SER 100 1HB SER 100 20.973 -9.358 1.736 736 HG SER 100 HG SER 100 19.212 -9.691 3.908 737 H ALA 101 H ALA 101 19.096 -5.322 2.424 738 HA ALA 101 HA ALA 101 18.941 -5.261 -0.454 739 1HB ALA 101 1HB ALA 101 18.056 -3.254 1.624 740 2HB ALA 101 2HB ALA 101 17.035 -4.446 0.809 741 3HB ALA 101 3HB ALA 101 17.749 -3.114 -0.106 742 HA PRO 102 HA PRO 102 22.589 -2.886 -1.169 743 1HB PRO 102 2HB PRO 102 21.279 -1.522 -3.398 744 2HB PRO 102 1HB PRO 102 22.565 -2.731 -3.442 745 1HG PRO 102 2HG PRO 102 20.050 -3.244 -4.302 746 2HG PRO 102 1HG PRO 102 21.090 -4.487 -3.583 747 1HD PRO 102 2HD PRO 102 18.859 -2.925 -2.337 748 2HD PRO 102 1HD PRO 102 19.246 -4.652 -2.178 749 HA PRO 103 HA PRO 103 22.006 1.152 0.610 750 1HB PRO 103 2HB PRO 103 24.083 2.219 -1.197 751 2HB PRO 103 1HB PRO 103 24.064 2.140 0.567 752 1HG PRO 103 2HG PRO 103 25.653 0.545 -0.881 753 2HG PRO 103 1HG PRO 103 24.881 -0.020 0.613 754 1HD PRO 103 2HD PRO 103 24.109 -0.537 -2.235 755 2HD PRO 103 1HD PRO 103 24.132 -1.657 -0.855 756 H ASN 104 H ASN 104 19.944 1.385 -0.395 757 HA ASN 104 HA ASN 104 19.941 3.231 -2.682 758 1HB ASN 104 2HB ASN 104 19.252 0.929 -3.321 759 2HB ASN 104 1HB ASN 104 17.940 1.023 -2.150 760 1HD2 ASN 104 1HD2 ASN 104 16.467 0.687 -3.812 761 2HD2 ASN 104 2HD2 ASN 104 16.003 1.980 -4.863 762 H ASP 105 H ASP 105 19.268 5.128 -2.001 763 HA ASP 105 HA ASP 105 17.989 5.358 0.572 764 1HB ASP 105 2HB ASP 105 18.503 7.727 0.384 765 2HB ASP 105 1HB ASP 105 19.914 6.756 -0.025 766 H ASP 106 H ASP 106 16.222 4.460 -1.781 767 HA ASP 106 HA ASP 106 14.534 6.817 -1.947 768 1HB ASP 106 2HB ASP 106 13.042 5.285 -3.413 769 2HB ASP 106 1HB ASP 106 14.543 5.929 -4.051 770 H LYS 107 H LYS 107 13.428 7.278 -0.404 771 HA LYS 107 HA LYS 107 12.731 6.255 1.884 772 1HB LYS 107 2HB LYS 107 12.107 8.475 1.074 773 2HB LYS 107 1HB LYS 107 10.810 7.771 0.124 774 1HG LYS 107 2HG LYS 107 9.871 6.927 2.335 775 2HG LYS 107 1HG LYS 107 11.014 8.037 3.102 776 1HD LYS 107 2HD LYS 107 10.046 9.845 1.616 777 2HD LYS 107 1HD LYS 107 8.766 8.701 1.210 778 1HE LYS 107 2HE LYS 107 7.960 10.093 2.964 779 2HE LYS 107 1HE LYS 107 8.286 8.502 3.654 780 1HZ LYS 107 1HZ LYS 107 9.082 10.405 5.015 781 2HZ LYS 107 2HZ LYS 107 10.184 10.779 3.783 782 3HZ LYS 107 3HZ LYS 107 10.303 9.299 4.604 783 H CYS 108 H CYS 108 10.068 6.054 -0.513 784 HA CYS 108 HA CYS 108 8.856 4.022 1.147 785 1HB CYS 108 2HB CYS 108 7.784 6.064 -0.152 786 2HB CYS 108 1HB CYS 108 7.697 4.899 -1.464 787 H MET 109 H MET 109 11.045 3.917 -1.385 788 HA MET 109 HA MET 109 9.783 1.753 -2.823 789 1HB MET 109 2HB MET 109 12.375 3.210 -3.241 790 2HB MET 109 1HB MET 109 11.880 1.835 -4.218 791 1HG MET 109 2HG MET 109 10.434 4.454 -3.949 792 2HG MET 109 1HG MET 109 11.364 3.901 -5.340 793 1HE MET 109 1HE MET 109 10.523 0.797 -5.370 794 2HE MET 109 2HE MET 109 10.668 1.793 -6.820 795 3HE MET 109 3HE MET 109 9.207 0.845 -6.543 796 H LYS 110 H LYS 110 12.138 2.123 -0.333 797 HA LYS 110 HA LYS 110 13.586 -0.255 -0.632 798 1HB LYS 110 2HB LYS 110 13.919 -0.187 1.826 799 2HB LYS 110 1HB LYS 110 14.319 1.324 1.029 800 1HG LYS 110 2HG LYS 110 13.184 2.159 2.796 801 2HG LYS 110 1HG LYS 110 11.781 1.820 1.776 802 1HD LYS 110 2HD LYS 110 11.353 -0.229 2.893 803 2HD LYS 110 1HD LYS 110 12.910 -0.187 3.719 804 1HE LYS 110 2HE LYS 110 12.169 1.767 4.995 805 2HE LYS 110 1HE LYS 110 10.609 1.709 4.171 806 1HZ LYS 110 1HZ LYS 110 11.643 -0.623 5.674 807 2HZ LYS 110 2HZ LYS 110 10.046 -0.274 5.231 808 3HZ LYS 110 3HZ LYS 110 10.796 0.620 6.458 809 H THR 111 H THR 111 10.622 0.358 1.106 810 HA THR 111 HA THR 111 9.945 -2.198 1.882 811 HB THR 111 HB THR 111 8.840 0.348 1.935 812 HG1 THR 111 1HG THR 111 7.667 -2.045 2.964 813 1HG2 THR 111 1HG2 THR 111 7.369 -0.021 0.035 814 2HG2 THR 111 2HG2 THR 111 6.397 -0.140 1.505 815 3HG2 THR 111 3HG2 THR 111 6.899 -1.603 0.661 816 H ILE 112 H ILE 112 10.269 -1.088 -1.304 817 HA ILE 112 HA ILE 112 8.252 -2.903 -2.364 818 HB ILE 112 HB ILE 112 9.699 -0.595 -3.387 819 1HG1 ILE 112 2HG1 ILE 112 7.663 -0.412 -4.802 820 2HG1 ILE 112 1HG1 ILE 112 7.120 -1.957 -4.158 821 1HG2 ILE 112 1HG2 ILE 112 9.355 -2.987 -5.189 822 2HG2 ILE 112 2HG2 ILE 112 10.856 -2.147 -4.795 823 3HG2 ILE 112 3HG2 ILE 112 9.625 -1.342 -5.769 824 1HD1 ILE 112 1HD1 ILE 112 7.623 0.519 -2.526 825 2HD1 ILE 112 2HD1 ILE 112 6.987 -1.017 -1.936 826 3HD1 ILE 112 3HD1 ILE 112 6.044 -0.048 -3.067 827 H ASP 113 H ASP 113 11.746 -2.410 -2.209 828 HA ASP 113 HA ASP 113 12.527 -4.673 -3.652 829 1HB ASP 113 2HB ASP 113 13.920 -3.238 -1.382 830 2HB ASP 113 1HB ASP 113 14.651 -4.547 -2.299 831 H VAL 114 H VAL 114 11.573 -4.338 -0.243 832 HA VAL 114 HA VAL 114 12.177 -7.087 0.315 833 HB VAL 114 HB VAL 114 10.799 -6.748 2.389 834 1HG1 VAL 114 1HG1 VAL 114 13.013 -4.760 1.987 835 2HG1 VAL 114 2HG1 VAL 114 13.260 -6.487 2.244 836 3HG1 VAL 114 3HG1 VAL 114 12.506 -5.508 3.501 837 1HG2 VAL 114 1HG2 VAL 114 10.823 -3.921 1.484 838 2HG2 VAL 114 2HG2 VAL 114 10.230 -4.500 3.033 839 3HG2 VAL 114 3HG2 VAL 114 9.392 -4.937 1.539 840 H ALA 115 H ALA 115 9.283 -5.257 -0.566 841 HA ALA 115 HA ALA 115 7.401 -7.307 -0.210 842 1HB ALA 115 1HB ALA 115 7.041 -4.838 -0.626 843 2HB ALA 115 2HB ALA 115 5.913 -5.956 -1.399 844 3HB ALA 115 3HB ALA 115 7.207 -5.213 -2.342 845 H MET 116 H MET 116 9.190 -6.337 -3.150 846 HA MET 116 HA MET 116 8.090 -8.465 -4.644 847 1HB MET 116 2HB MET 116 9.720 -7.958 -6.393 848 2HB MET 116 1HB MET 116 8.855 -6.537 -5.849 849 1HG MET 116 2HG MET 116 11.088 -5.919 -6.240 850 2HG MET 116 1HG MET 116 10.869 -5.921 -4.502 851 1HE MET 116 1HE MET 116 13.620 -5.815 -6.014 852 2HE MET 116 2HE MET 116 14.628 -7.000 -5.182 853 3HE MET 116 3HE MET 116 13.612 -5.898 -4.251 854 H CYS 117 H CYS 117 10.662 -8.225 -2.436 855 HA CYS 117 HA CYS 117 12.126 -10.565 -3.106 856 1HB CYS 117 2HB CYS 117 12.831 -8.575 -1.644 857 2HB CYS 117 1HB CYS 117 11.876 -9.315 -0.371 858 H PHE 118 H PHE 118 9.202 -9.900 -1.394 859 HA PHE 118 HA PHE 118 9.104 -12.405 -0.048 860 1HB PHE 118 2HB PHE 118 7.933 -10.612 0.987 861 2HB PHE 118 1HB PHE 118 7.004 -10.282 -0.471 862 HD1 PHE 118 1HD PHE 118 7.613 -12.928 2.075 863 HD2 PHE 118 2HD PHE 118 4.894 -11.219 -0.722 864 HE1 PHE 118 1HE PHE 118 5.838 -14.424 2.891 865 HE2 PHE 118 2HE PHE 118 3.116 -12.714 0.087 866 HZ PHE 118 HZ PHE 118 3.586 -14.319 1.896 867 H LYS 119 H LYS 119 7.465 -11.122 -2.985 868 HA LYS 119 HA LYS 119 6.205 -13.661 -3.359 869 1HB LYS 119 2HB LYS 119 4.931 -12.526 -4.739 870 2HB LYS 119 1HB LYS 119 6.021 -11.174 -4.765 871 1HG LYS 119 2HG LYS 119 6.487 -13.570 -6.493 872 2HG LYS 119 1HG LYS 119 5.357 -12.308 -6.970 873 1HD LYS 119 2HD LYS 119 8.280 -11.873 -6.344 874 2HD LYS 119 1HD LYS 119 7.599 -12.021 -7.965 875 1HE LYS 119 2HE LYS 119 6.041 -10.079 -7.168 876 2HE LYS 119 1HE LYS 119 7.313 -9.811 -5.977 877 1HZ LYS 119 1HZ LYS 119 7.696 -9.868 -8.923 878 2HZ LYS 119 2HZ LYS 119 8.909 -9.566 -7.780 879 3HZ LYS 119 3HZ LYS 119 7.630 -8.468 -7.973 880 H LYS 120 H LYS 120 9.367 -12.441 -4.328 881 HA LYS 120 HA LYS 120 10.173 -14.502 -5.995 882 1HB LYS 120 2HB LYS 120 11.436 -12.517 -4.394 883 2HB LYS 120 1HB LYS 120 12.224 -14.050 -4.047 884 1HG LYS 120 2HG LYS 120 13.390 -12.942 -5.823 885 2HG LYS 120 1HG LYS 120 12.581 -14.373 -6.469 886 1HD LYS 120 2HD LYS 120 12.220 -12.589 -8.005 887 2HD LYS 120 1HD LYS 120 10.701 -12.886 -7.164 888 1HE LYS 120 2HE LYS 120 11.016 -10.530 -7.289 889 2HE LYS 120 1HE LYS 120 11.258 -11.025 -5.621 890 1HZ LYS 120 1HZ LYS 120 13.460 -10.546 -7.558 891 2HZ LYS 120 2HZ LYS 120 13.622 -10.886 -5.904 892 3HZ LYS 120 3HZ LYS 120 12.933 -9.425 -6.404 893 H GLU 121 H GLU 121 10.500 -14.405 -2.453 894 HA GLU 121 HA GLU 121 11.086 -17.102 -2.096 895 1HB GLU 121 2HB GLU 121 9.714 -15.194 -0.206 896 2HB GLU 121 1HB GLU 121 10.296 -16.788 0.253 897 1HG GLU 121 2HG GLU 121 11.872 -14.363 -0.522 898 2HG GLU 121 1HG GLU 121 11.980 -15.347 0.934 899 H ILE 122 H ILE 122 7.823 -15.566 -2.077 900 HA ILE 122 HA ILE 122 6.373 -17.822 -1.454 901 HB ILE 122 HB ILE 122 5.768 -15.197 -2.270 902 1HG1 ILE 122 2HG1 ILE 122 4.874 -16.461 -0.357 903 2HG1 ILE 122 1HG1 ILE 122 3.617 -15.688 -1.309 904 1HG2 ILE 122 1HG2 ILE 122 4.174 -17.158 -3.921 905 2HG2 ILE 122 2HG2 ILE 122 5.410 -16.076 -4.562 906 3HG2 ILE 122 3HG2 ILE 122 3.952 -15.409 -3.828 907 1HD1 ILE 122 1HD1 ILE 122 3.088 -17.827 -2.354 908 2HD1 ILE 122 2HD1 ILE 122 2.967 -17.924 -0.597 909 3HD1 ILE 122 3HD1 ILE 122 4.371 -18.598 -1.423 910 H HIS 123 H HIS 123 7.759 -16.900 -4.610 911 HA HIS 123 HA HIS 123 6.549 -19.060 -6.029 912 1HB HIS 123 2HB HIS 123 8.852 -17.221 -6.622 913 2HB HIS 123 1HB HIS 123 8.502 -18.592 -7.668 914 HD1 HIS 123 1HD HIS 123 7.816 -17.137 -9.664 915 HD2 HIS 123 2HD HIS 123 5.563 -16.430 -6.233 916 HE1 HIS 123 1HE HIS 123 5.874 -15.719 -10.404 917 HE2 HIS 123 2HE HIS 123 4.549 -15.252 -8.307 918 H LYS 124 H LYS 124 9.522 -18.717 -4.161 919 HA LYS 124 HA LYS 124 10.701 -21.170 -4.940 920 1HB LYS 124 2HB LYS 124 12.050 -19.466 -3.950 921 2HB LYS 124 1HB LYS 124 10.998 -19.355 -2.549 922 1HG LYS 124 2HG LYS 124 11.687 -21.695 -1.974 923 2HG LYS 124 1HG LYS 124 12.904 -21.563 -3.250 924 1HD LYS 124 2HD LYS 124 13.935 -19.695 -2.159 925 2HD LYS 124 1HD LYS 124 12.632 -19.620 -0.971 926 1HE LYS 124 2HE LYS 124 13.300 -21.868 -0.170 927 2HE LYS 124 1HE LYS 124 14.646 -21.843 -1.307 928 1HZ LYS 124 1HZ LYS 124 15.433 -21.191 0.837 929 2HZ LYS 124 2HZ LYS 124 14.226 -20.015 0.999 930 3HZ LYS 124 3HZ LYS 124 15.447 -19.818 -0.155 931 H LEU 125 H LEU 125 8.324 -20.234 -2.585 932 HA LEU 125 HA LEU 125 8.325 -22.630 -1.053 933 1HB LEU 125 2HB LEU 125 6.226 -20.487 -1.357 934 2HB LEU 125 1HB LEU 125 6.183 -21.763 -0.156 935 HG LEU 125 HG LEU 125 8.306 -19.624 -0.346 936 1HD1 LEU 125 1HD1 LEU 125 7.297 -18.738 1.694 937 2HD1 LEU 125 2HD1 LEU 125 6.030 -19.962 1.603 938 3HD1 LEU 125 3HD1 LEU 125 6.149 -18.722 0.354 939 1HD2 LEU 125 1HD2 LEU 125 9.020 -20.480 1.837 940 2HD2 LEU 125 2HD2 LEU 125 9.175 -21.695 0.569 941 3HD2 LEU 125 3HD2 LEU 125 7.831 -21.777 1.708 942 H ASN 126 H ASN 126 7.654 -22.451 -4.172 943 HA ASN 126 HA ASN 126 5.206 -23.596 -4.685 944 1HB ASN 126 2HB ASN 126 6.839 -22.914 -6.416 945 2HB ASN 126 1HB ASN 126 7.833 -24.312 -6.015 946 1HD2 ASN 126 1HD2 ASN 126 7.668 -25.150 -8.090 947 2HD2 ASN 126 2HD2 ASN 126 6.211 -25.867 -8.686 948 H TRP 127 H TRP 127 8.226 -25.330 -3.846 949 HA TRP 127 HA TRP 127 6.992 -27.888 -3.736 950 1HB TRP 127 2HB TRP 127 9.365 -27.497 -2.042 951 2HB TRP 127 1HB TRP 127 9.075 -28.675 -3.315 952 HD1 TRP 127 HD TRP 127 9.207 -27.416 -5.930 953 HE1 TRP 127 1HE TRP 127 11.079 -25.850 -6.745 954 HE3 TRP 127 3HE TRP 127 11.080 -25.965 -1.399 955 HZ2 TRP 127 2HZ TRP 127 13.089 -24.228 -5.615 956 HZ3 TRP 127 3HZ TRP 127 12.983 -24.408 -1.356 957 HH2 TRP 127 HH TRP 127 13.966 -23.559 -3.422 958 H VAL 128 H VAL 128 5.416 -28.296 -2.338 959 HA VAL 128 HA VAL 128 5.533 -27.140 0.344 960 HB VAL 128 HB VAL 128 3.221 -27.984 0.596 961 1HG1 VAL 128 1HG1 VAL 128 2.167 -26.427 -0.977 962 2HG1 VAL 128 2HG1 VAL 128 3.680 -26.321 -1.878 963 3HG1 VAL 128 3HG1 VAL 128 3.597 -25.723 -0.222 964 1HG2 VAL 128 1HG2 VAL 128 3.338 -29.915 -0.873 965 2HG2 VAL 128 2HG2 VAL 128 3.545 -28.862 -2.272 966 3HG2 VAL 128 3HG2 VAL 128 2.028 -28.845 -1.373 967 HA PRO 129 HA PRO 129 6.750 -30.960 2.288 968 1HB PRO 129 2HB PRO 129 5.209 -30.797 4.571 969 2HB PRO 129 1HB PRO 129 6.766 -29.996 4.353 970 1HG PRO 129 2HG PRO 129 4.011 -28.886 4.105 971 2HG PRO 129 1HG PRO 129 5.474 -28.130 4.761 972 1HD PRO 129 2HD PRO 129 4.512 -27.542 2.307 973 2HD PRO 129 1HD PRO 129 6.249 -27.528 2.676 974 H ASN 130 H ASN 130 3.394 -30.106 1.876 975 HA ASN 130 HA ASN 130 1.614 -31.267 1.086 976 1HB ASN 130 2HB ASN 130 3.416 -32.397 -0.338 977 2HB ASN 130 1HB ASN 130 3.356 -33.717 0.825 978 1HD2 ASN 130 1HD2 ASN 130 2.574 -35.220 -0.599 979 2HD2 ASN 130 2HD2 ASN 130 0.977 -35.151 -1.260 980 H MET 131 H MET 131 2.885 -31.550 3.919 981 HA MET 131 HA MET 131 0.839 -33.411 4.894 982 1HB MET 131 2HB MET 131 3.742 -33.347 5.726 983 2HB MET 131 1HB MET 131 2.490 -34.099 6.699 984 1HG MET 131 2HG MET 131 3.184 -34.890 3.879 985 2HG MET 131 1HG MET 131 3.779 -35.693 5.331 986 1HE MET 131 1HE MET 131 1.301 -38.369 4.038 987 2HE MET 131 2HE MET 131 2.890 -38.080 4.748 988 3HE MET 131 3HE MET 131 2.494 -37.403 3.168 989 H ASP 132 H ASP 132 -0.462 -31.735 5.573 990 HA ASP 132 HA ASP 132 0.671 -29.698 7.328 991 1HB ASP 132 2HB ASP 132 -0.996 -29.136 5.499 992 2HB ASP 132 1HB ASP 132 -2.211 -29.985 6.449 993 H LEU 133 H LEU 133 -0.498 -29.229 9.401 994 HA LEU 133 HA LEU 133 -1.526 -31.692 10.584 995 1HB LEU 133 2HB LEU 133 -0.305 -30.910 12.751 996 2HB LEU 133 1HB LEU 133 0.521 -31.863 11.547 997 HG LEU 133 HG LEU 133 1.917 -30.082 12.537 998 1HD1 LEU 133 1HD1 LEU 133 1.408 -29.738 9.593 999 2HD1 LEU 133 2HD1 LEU 133 2.463 -30.938 10.338 1000 3HD1 LEU 133 3HD1 LEU 133 2.852 -29.221 10.461 1001 1HD2 LEU 133 1HD2 LEU 133 1.580 -27.760 12.023 1002 2HD2 LEU 133 2HD2 LEU 133 0.147 -28.392 12.839 1003 3HD2 LEU 133 3HD2 LEU 133 0.127 -28.140 11.094 1004 H VAL 134 H VAL 134 -3.234 -31.538 11.819 1005 HA VAL 134 HA VAL 134 -4.133 -28.890 12.690 1006 HB VAL 134 HB VAL 134 -6.509 -29.661 12.004 1007 1HG1 VAL 134 1HG1 VAL 134 -6.229 -28.753 9.742 1008 2HG1 VAL 134 2HG1 VAL 134 -4.480 -28.943 9.886 1009 3HG1 VAL 134 3HG1 VAL 134 -5.334 -27.811 10.935 1010 1HG2 VAL 134 1HG2 VAL 134 -4.857 -31.443 10.213 1011 2HG2 VAL 134 2HG2 VAL 134 -6.591 -31.162 10.068 1012 3HG2 VAL 134 3HG2 VAL 134 -5.947 -31.981 11.491 1013 H ILE 135 H ILE 135 -4.367 -28.964 14.808 1014 HA ILE 135 HA ILE 135 -5.186 -29.517 16.850 1015 HB ILE 135 HB ILE 135 -6.621 -31.701 15.341 1016 1HG1 ILE 135 2HG1 ILE 135 -8.616 -30.349 16.284 1017 2HG1 ILE 135 1HG1 ILE 135 -7.434 -29.081 16.585 1018 1HG2 ILE 135 1HG2 ILE 135 -6.097 -32.558 17.556 1019 2HG2 ILE 135 2HG2 ILE 135 -7.824 -32.227 17.405 1020 3HG2 ILE 135 3HG2 ILE 135 -6.786 -31.110 18.293 1021 1HD1 ILE 135 1HD1 ILE 135 -6.905 -29.014 14.208 1022 2HD1 ILE 135 2HD1 ILE 135 -8.621 -28.727 14.500 1023 3HD1 ILE 135 3HD1 ILE 135 -8.077 -30.297 13.910 1024 H GLY 136 H GLY 136 -3.591 -30.067 18.140 1025 1HA GLY 136 2HA GLY 136 -2.428 -32.772 17.844 1026 2HA GLY 136 1HA GLY 136 -1.508 -31.370 18.373 1027 H GLU 137 H GLU 137 -4.662 -31.391 19.586 1028 HA GLU 137 HA GLU 137 -3.711 -32.577 22.097 1029 1HB GLU 137 2HB GLU 137 -5.365 -31.013 23.234 1030 2HB GLU 137 1HB GLU 137 -3.905 -30.290 22.583 1031 1HG GLU 137 2HG GLU 137 -5.583 -28.796 22.013 1032 2HG GLU 137 1HG GLU 137 -5.321 -29.718 20.534 1033 H VAL 138 H VAL 138 -5.379 -33.537 23.467 1034 HA VAL 138 HA VAL 138 -7.607 -34.626 21.875 1035 HB VAL 138 HB VAL 138 -5.761 -36.237 23.654 1036 1HG1 VAL 138 1HG1 VAL 138 -8.158 -37.123 22.050 1037 2HG1 VAL 138 2HG1 VAL 138 -8.061 -37.025 23.808 1038 3HG1 VAL 138 3HG1 VAL 138 -7.058 -38.182 22.934 1039 1HG2 VAL 138 1HG2 VAL 138 -6.153 -36.318 20.663 1040 2HG2 VAL 138 2HG2 VAL 138 -5.138 -37.416 21.599 1041 3HG2 VAL 138 3HG2 VAL 138 -4.735 -35.701 21.511 1042 H LEU 139 H LEU 139 -9.392 -33.931 22.867 1043 HA LEU 139 HA LEU 139 -9.541 -33.592 25.719 1044 1HB LEU 139 2HB LEU 139 -10.843 -32.262 23.970 1045 2HB LEU 139 1HB LEU 139 -11.855 -33.679 23.780 1046 HG LEU 139 HG LEU 139 -12.749 -31.823 25.273 1047 1HD1 LEU 139 1HD1 LEU 139 -13.690 -33.361 26.918 1048 2HD1 LEU 139 2HD1 LEU 139 -12.497 -34.578 26.465 1049 3HD1 LEU 139 3HD1 LEU 139 -13.710 -34.059 25.298 1050 1HD2 LEU 139 1HD2 LEU 139 -10.654 -32.920 27.141 1051 2HD2 LEU 139 2HD2 LEU 139 -11.936 -31.792 27.582 1052 3HD2 LEU 139 3HD2 LEU 139 -10.684 -31.300 26.441 1053 H ALA 140 H ALA 140 -9.592 -35.296 27.014 1054 HA ALA 140 HA ALA 140 -10.817 -37.782 26.056 1055 1HB ALA 140 1HB ALA 140 -8.478 -37.929 26.753 1056 2HB ALA 140 2HB ALA 140 -9.521 -38.898 27.794 1057 3HB ALA 140 3HB ALA 140 -8.916 -37.339 28.356 1058 H GLU 141 H GLU 141 -12.288 -38.910 27.299 1059 HA GLU 141 HA GLU 141 -13.275 -37.687 29.759 1060 1HB GLU 141 2HB GLU 141 -14.686 -36.810 27.916 1061 2HB GLU 141 1HB GLU 141 -15.061 -38.459 27.436 1062 1HG GLU 141 2HG GLU 141 -16.881 -37.482 28.705 1063 2HG GLU 141 1HG GLU 141 -16.165 -38.839 29.571 1064 H VAL 142 H VAL 142 -13.968 -39.199 31.243 1065 HA VAL 142 HA VAL 142 -13.662 -42.003 30.396 1066 HB VAL 142 HB VAL 142 -13.390 -40.881 33.191 1067 1HG1 VAL 142 1HG1 VAL 142 -14.119 -43.208 33.152 1068 2HG1 VAL 142 2HG1 VAL 142 -12.460 -43.081 33.737 1069 3HG1 VAL 142 3HG1 VAL 142 -12.774 -43.622 32.088 1070 1HG2 VAL 142 1HG2 VAL 142 -10.987 -41.268 32.924 1071 2HG2 VAL 142 2HG2 VAL 142 -11.584 -40.096 31.749 1072 3HG2 VAL 142 3HG2 VAL 142 -11.251 -41.754 31.250
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