NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550157 | 2lvf | 6529 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H1 GLU 1 1.726 44.646 -6.902 2 H2 GLU 1 H2 GLU 1 1.987 43.034 -7.368 3 H3 GLU 1 H3 GLU 1 1.771 43.423 -5.728 4 HA GLU 1 HA GLU 1 -0.191 42.409 -6.989 5 HB2 GLU 1 HB2 GLU 1 -0.274 43.446 -4.719 6 HB3 GLU 1 HB3 GLU 1 -0.551 45.014 -5.477 7 HG2 GLU 1 HG2 GLU 1 -2.588 44.076 -6.580 8 HG3 GLU 1 HG3 GLU 1 -2.332 42.570 -5.701 9 H ALA 2 H ALA 2 -0.607 42.552 -9.133 10 HA ALA 2 HA ALA 2 -0.555 44.958 -10.646 11 HB1 ALA 2 HB1 ALA 2 -1.916 42.323 -11.263 12 HB2 ALA 2 HB2 ALA 2 -0.252 42.743 -11.673 13 HB3 ALA 2 HB3 ALA 2 -1.592 43.612 -12.423 14 H GLU 3 H GLU 3 -2.245 46.204 -11.461 15 HA GLU 3 HA GLU 3 -4.411 46.700 -9.721 16 HB2 GLU 3 HB2 GLU 3 -5.141 48.316 -11.327 17 HB3 GLU 3 HB3 GLU 3 -3.380 48.340 -11.344 18 HG2 GLU 3 HG2 GLU 3 -5.137 46.845 -13.318 19 HG3 GLU 3 HG3 GLU 3 -4.299 48.359 -13.639 20 H ALA 4 H ALA 4 -4.026 44.518 -12.385 21 HA ALA 4 HA ALA 4 -6.801 44.149 -12.953 22 HB1 ALA 4 HB1 ALA 4 -5.072 43.607 -14.611 23 HB2 ALA 4 HB2 ALA 4 -6.050 42.186 -14.243 24 HB3 ALA 4 HB3 ALA 4 -4.438 42.353 -13.546 25 H GLN 5 H GLN 5 -5.076 43.424 -10.274 26 HA GLN 5 HA GLN 5 -5.683 40.834 -9.520 27 HB2 GLN 5 HB2 GLN 5 -4.308 42.399 -8.203 28 HB3 GLN 5 HB3 GLN 5 -5.755 43.332 -7.820 29 HG2 GLN 5 HG2 GLN 5 -6.724 41.232 -6.791 30 HG3 GLN 5 HG3 GLN 5 -5.154 40.467 -7.025 31 HE21 GLN 5 HE21 GLN 5 -4.020 40.470 -5.088 32 HE22 GLN 5 HE22 GLN 5 -4.001 41.751 -3.973 33 H GLU 6 H GLU 6 -7.724 43.716 -9.495 34 HA GLU 6 HA GLU 6 -9.888 42.818 -8.010 35 HB2 GLU 6 HB2 GLU 6 -11.213 44.474 -9.217 36 HB3 GLU 6 HB3 GLU 6 -9.620 45.130 -8.842 37 HG2 GLU 6 HG2 GLU 6 -8.885 44.411 -11.160 38 HG3 GLU 6 HG3 GLU 6 -10.574 44.041 -11.503 39 H GLU 7 H GLU 7 -9.227 42.318 -11.477 40 HA GLU 7 HA GLU 7 -11.621 41.049 -12.174 41 HB2 GLU 7 HB2 GLU 7 -10.069 41.708 -13.902 42 HB3 GLU 7 HB3 GLU 7 -8.810 40.669 -13.235 43 HG2 GLU 7 HG2 GLU 7 -11.402 39.363 -13.928 44 HG3 GLU 7 HG3 GLU 7 -10.390 39.883 -15.272 45 H CYS 8 H CYS 8 -8.628 39.821 -10.782 46 HA CYS 8 HA CYS 8 -9.362 37.089 -10.853 47 HB2 CYS 8 HB2 CYS 8 -7.391 38.470 -9.021 48 HB3 CYS 8 HB3 CYS 8 -7.466 36.741 -9.355 49 H ARG 9 H ARG 9 -9.191 39.375 -8.119 50 HA ARG 9 HA ARG 9 -10.319 37.745 -6.170 51 HB2 ARG 9 HB2 ARG 9 -9.240 39.946 -5.751 52 HB3 ARG 9 HB3 ARG 9 -10.661 40.742 -6.429 53 HG2 ARG 9 HG2 ARG 9 -12.082 39.738 -4.700 54 HG3 ARG 9 HG3 ARG 9 -10.697 38.866 -4.044 55 HD2 ARG 9 HD2 ARG 9 -11.025 40.835 -2.690 56 HD3 ARG 9 HD3 ARG 9 -9.574 41.085 -3.657 57 HE ARG 9 HE ARG 9 -11.893 42.113 -4.982 58 HH11 ARG 9 HH21 ARG 9 -9.623 42.711 -2.431 59 HH12 ARG 9 HH22 ARG 9 -9.794 44.433 -2.502 60 HH21 ARG 9 HH11 ARG 9 -12.115 44.367 -5.075 61 HH22 ARG 9 HH12 ARG 9 -11.202 45.370 -3.996 62 H GLU 10 H GLU 10 -11.938 39.928 -8.463 63 HA GLU 10 HA GLU 10 -14.558 39.624 -7.493 64 HB2 GLU 10 HB2 GLU 10 -13.961 41.353 -9.113 65 HB3 GLU 10 HB3 GLU 10 -13.600 40.123 -10.322 66 HG2 GLU 10 HG2 GLU 10 -16.299 40.053 -9.038 67 HG3 GLU 10 HG3 GLU 10 -15.989 41.327 -10.213 68 H GLN 11 H GLN 11 -12.825 37.857 -10.039 69 HA GLN 11 HA GLN 11 -14.886 36.102 -10.762 70 HB2 GLN 11 HB2 GLN 11 -12.727 36.498 -12.002 71 HB3 GLN 11 HB3 GLN 11 -11.933 35.460 -10.818 72 HG2 GLN 11 HG2 GLN 11 -13.414 33.604 -11.405 73 HG3 GLN 11 HG3 GLN 11 -14.299 34.633 -12.526 74 HE21 GLN 11 HE21 GLN 11 -13.225 32.377 -13.652 75 HE22 GLN 11 HE22 GLN 11 -11.847 32.751 -14.570 76 H MET 12 H MET 12 -12.547 35.930 -8.123 77 HA MET 12 HA MET 12 -12.717 33.262 -7.417 78 HB2 MET 12 HB2 MET 12 -12.488 35.692 -5.638 79 HB3 MET 12 HB3 MET 12 -12.290 34.037 -5.063 80 HG2 MET 12 HG2 MET 12 -10.476 33.689 -6.703 81 HG3 MET 12 HG3 MET 12 -10.661 35.350 -7.254 82 HE1 MET 12 HE1 MET 12 -7.326 35.232 -5.609 83 HE2 MET 12 HE2 MET 12 -8.132 36.634 -6.304 84 HE3 MET 12 HE3 MET 12 -8.318 35.053 -7.060 85 H GLN 13 H GLN 13 -15.010 35.871 -6.611 86 HA GLN 13 HA GLN 13 -16.627 34.404 -4.837 87 HB2 GLN 13 HB2 GLN 13 -17.262 36.671 -6.729 88 HB3 GLN 13 HB3 GLN 13 -18.479 35.965 -5.669 89 HG2 GLN 13 HG2 GLN 13 -17.542 37.863 -4.520 90 HG3 GLN 13 HG3 GLN 13 -16.937 36.413 -3.725 91 HE21 GLN 13 HE21 GLN 13 -16.023 39.103 -5.853 92 HE22 GLN 13 HE22 GLN 13 -14.347 38.866 -5.710 93 H ARG 14 H ARG 14 -16.719 34.713 -8.356 94 HA ARG 14 HA ARG 14 -18.996 33.159 -8.864 95 HB2 ARG 14 HB2 ARG 14 -17.743 34.621 -10.529 96 HB3 ARG 14 HB3 ARG 14 -16.534 33.343 -10.621 97 HG2 ARG 14 HG2 ARG 14 -17.976 32.829 -12.405 98 HG3 ARG 14 HG3 ARG 14 -18.553 31.774 -11.116 99 HD2 ARG 14 HD2 ARG 14 -20.470 32.855 -12.140 100 HD3 ARG 14 HD3 ARG 14 -20.253 33.515 -10.521 101 HE ARG 14 HE ARG 14 -18.942 35.021 -12.634 102 HH11 ARG 14 HH21 ARG 14 -21.800 34.533 -10.730 103 HH12 ARG 14 HH22 ARG 14 -22.392 36.145 -10.964 104 HH21 ARG 14 HH11 ARG 14 -19.719 37.129 -12.938 105 HH22 ARG 14 HH12 ARG 14 -21.216 37.610 -12.212 106 H GLN 15 H GLN 15 -15.572 32.428 -8.481 107 HA GLN 15 HA GLN 15 -15.911 29.616 -8.889 108 HB2 GLN 15 HB2 GLN 15 -13.686 31.466 -8.324 109 HB3 GLN 15 HB3 GLN 15 -13.513 29.878 -7.584 110 HG2 GLN 15 HG2 GLN 15 -12.568 29.498 -9.675 111 HG3 GLN 15 HG3 GLN 15 -14.235 29.009 -9.964 112 HE21 GLN 15 HE21 GLN 15 -15.698 30.831 -10.868 113 HE22 GLN 15 HE22 GLN 15 -14.982 31.927 -11.948 114 H GLN 16 H GLN 16 -17.701 29.467 -7.392 115 HA GLN 16 HA GLN 16 -17.177 29.701 -4.551 116 HB2 GLN 16 HB2 GLN 16 -19.537 28.544 -6.059 117 HB3 GLN 16 HB3 GLN 16 -19.481 28.828 -4.316 118 HG2 GLN 16 HG2 GLN 16 -19.082 31.229 -4.723 119 HG3 GLN 16 HG3 GLN 16 -19.146 30.945 -6.459 120 HE21 GLN 16 HE21 GLN 16 -20.955 32.763 -5.485 121 HE22 GLN 16 HE22 GLN 16 -22.516 32.102 -5.456 122 H MET 17 H MET 17 -15.334 28.062 -5.794 123 HA MET 17 HA MET 17 -15.953 25.318 -5.736 124 HB2 MET 17 HB2 MET 17 -13.765 24.962 -6.267 125 HB3 MET 17 HB3 MET 17 -13.863 26.676 -6.665 126 HG2 MET 17 HG2 MET 17 -13.177 27.040 -4.175 127 HG3 MET 17 HG3 MET 17 -12.644 25.363 -4.245 128 HE1 MET 17 HE1 MET 17 -13.001 28.454 -6.011 129 HE2 MET 17 HE2 MET 17 -11.893 28.354 -7.378 130 HE3 MET 17 HE3 MET 17 -11.380 29.151 -5.892 131 H LEU 18 H LEU 18 -15.156 27.547 -3.231 132 HA LEU 18 HA LEU 18 -14.142 25.841 -1.268 133 HB2 LEU 18 HB2 LEU 18 -15.863 28.259 -0.860 134 HB3 LEU 18 HB3 LEU 18 -14.819 27.525 0.342 135 HG LEU 18 HG LEU 18 -12.924 27.871 -1.387 136 HD11 LEU 18 HD11 LEU 18 -13.788 30.192 -2.598 137 HD12 LEU 18 HD12 LEU 18 -15.217 29.167 -2.697 138 HD13 LEU 18 HD13 LEU 18 -13.689 28.621 -3.384 139 HD21 LEU 18 HD21 LEU 18 -12.918 29.162 0.626 140 HD22 LEU 18 HD22 LEU 18 -14.300 30.122 0.098 141 HD23 LEU 18 HD23 LEU 18 -12.733 30.326 -0.686 142 H SER 19 H SER 19 -17.403 26.180 -2.463 143 HA SER 19 HA SER 19 -18.751 25.116 -0.187 144 HB2 SER 19 HB2 SER 19 -19.563 24.888 -3.096 145 HB3 SER 19 HB3 SER 19 -20.616 24.736 -1.692 146 HG SER 19 HG SER 19 -19.143 27.034 -2.489 147 H HIS 20 H HIS 20 -17.689 23.644 -3.242 148 HA HIS 20 HA HIS 20 -18.189 20.945 -2.398 149 HB2 HIS 20 HB2 HIS 20 -16.210 21.389 -4.551 150 HB3 HIS 20 HB3 HIS 20 -17.665 20.393 -4.547 151 HD2 HIS 20 HD2 HIS 20 -20.113 22.285 -4.553 152 HE1 HIS 20 HE1 HIS 20 -18.046 24.956 -7.086 153 HE2 HIS 20 HE2 HIS 20 -20.324 24.337 -6.153 154 H CYS 21 H CYS 21 -15.483 23.151 -2.480 155 HA CYS 21 HA CYS 21 -13.403 21.374 -1.842 156 HB2 CYS 21 HB2 CYS 21 -13.856 24.267 -1.919 157 HB3 CYS 21 HB3 CYS 21 -12.663 23.799 -0.723 158 H ARG 22 H ARG 22 -15.534 23.353 0.204 159 HA ARG 22 HA ARG 22 -14.476 22.603 2.710 160 HB2 ARG 22 HB2 ARG 22 -16.148 24.452 2.290 161 HB3 ARG 22 HB3 ARG 22 -17.381 23.208 2.091 162 HG2 ARG 22 HG2 ARG 22 -16.833 22.361 4.379 163 HG3 ARG 22 HG3 ARG 22 -15.707 23.705 4.571 164 HD2 ARG 22 HD2 ARG 22 -18.700 23.892 4.139 165 HD3 ARG 22 HD3 ARG 22 -17.814 24.324 5.595 166 HE ARG 22 HE ARG 22 -16.958 26.247 4.460 167 HH11 ARG 22 HH21 ARG 22 -19.192 24.354 2.594 168 HH12 ARG 22 HH22 ARG 22 -19.483 25.604 1.433 169 HH21 ARG 22 HH11 ARG 22 -17.337 27.873 2.924 170 HH22 ARG 22 HH12 ARG 22 -18.437 27.588 1.617 171 H MET 23 H MET 23 -17.040 21.247 0.666 172 HA MET 23 HA MET 23 -17.821 19.119 2.324 173 HB2 MET 23 HB2 MET 23 -18.976 19.831 0.203 174 HB3 MET 23 HB3 MET 23 -17.668 19.072 -0.702 175 HG2 MET 23 HG2 MET 23 -18.172 16.913 0.444 176 HG3 MET 23 HG3 MET 23 -19.540 17.688 1.240 177 HE1 MET 23 HE1 MET 23 -18.171 17.993 -2.597 178 HE2 MET 23 HE2 MET 23 -18.978 16.519 -3.123 179 HE3 MET 23 HE3 MET 23 -17.835 16.458 -1.784 180 H TYR 24 H TYR 24 -15.171 19.486 0.025 181 HA TYR 24 HA TYR 24 -14.223 16.840 0.019 182 HB2 TYR 24 HB2 TYR 24 -12.948 17.829 -1.541 183 HB3 TYR 24 HB3 TYR 24 -13.326 19.425 -0.913 184 HD1 TYR 24 HD2 TYR 24 -11.325 16.449 0.246 185 HD2 TYR 24 HD1 TYR 24 -11.472 20.700 -0.353 186 HE1 TYR 24 HE2 TYR 24 -9.011 16.653 1.110 187 HE2 TYR 24 HE1 TYR 24 -9.158 20.902 0.508 188 HH TYR 24 HH TYR 24 -7.144 19.430 0.711 189 H MET 25 H MET 25 -13.488 19.590 2.162 190 HA MET 25 HA MET 25 -11.492 18.370 3.713 191 HB2 MET 25 HB2 MET 25 -13.643 20.293 4.636 192 HB3 MET 25 HB3 MET 25 -12.125 19.966 5.470 193 HG2 MET 25 HG2 MET 25 -12.321 21.080 2.656 194 HG3 MET 25 HG3 MET 25 -12.055 22.060 4.096 195 HE1 MET 25 HE1 MET 25 -10.093 20.418 5.940 196 HE2 MET 25 HE2 MET 25 -10.183 22.125 5.515 197 HE3 MET 25 HE3 MET 25 -8.650 21.269 5.370 198 H ARG 26 H ARG 26 -15.020 18.494 4.179 199 HA ARG 26 HA ARG 26 -15.134 16.829 6.455 200 HB2 ARG 26 HB2 ARG 26 -17.033 18.224 5.625 201 HB3 ARG 26 HB3 ARG 26 -17.212 17.120 4.263 202 HG2 ARG 26 HG2 ARG 26 -18.802 16.425 5.919 203 HG3 ARG 26 HG3 ARG 26 -17.492 15.249 5.954 204 HD2 ARG 26 HD2 ARG 26 -16.472 16.502 7.857 205 HD3 ARG 26 HD3 ARG 26 -17.867 17.575 7.859 206 HE ARG 26 HE ARG 26 -19.136 15.304 8.172 207 HH11 ARG 26 HH21 ARG 26 -16.062 16.225 9.496 208 HH12 ARG 26 HH22 ARG 26 -16.216 15.217 10.895 209 HH21 ARG 26 HH11 ARG 26 -19.330 13.988 10.004 210 HH22 ARG 26 HH12 ARG 26 -18.061 13.954 11.182 211 H GLN 27 H GLN 27 -15.132 16.183 2.997 212 HA GLN 27 HA GLN 27 -15.606 13.423 3.084 213 HB2 GLN 27 HB2 GLN 27 -15.712 14.625 0.970 214 HB3 GLN 27 HB3 GLN 27 -14.013 15.066 1.096 215 HG2 GLN 27 HG2 GLN 27 -14.452 13.110 -0.426 216 HG3 GLN 27 HG3 GLN 27 -13.319 12.767 0.876 217 HE21 GLN 27 HE21 GLN 27 -14.431 11.829 2.941 218 HE22 GLN 27 HE22 GLN 27 -15.672 10.680 2.660 219 H GLN 28 H GLN 28 -12.674 15.368 3.492 220 HA GLN 28 HA GLN 28 -10.842 13.247 3.431 221 HB2 GLN 28 HB2 GLN 28 -10.302 15.693 3.463 222 HB3 GLN 28 HB3 GLN 28 -10.752 15.679 5.163 223 HG2 GLN 28 HG2 GLN 28 -8.717 13.718 4.145 224 HG3 GLN 28 HG3 GLN 28 -8.227 15.367 4.515 225 HE21 GLN 28 HE21 GLN 28 -8.161 12.421 5.898 226 HE22 GLN 28 HE22 GLN 28 -8.400 12.835 7.526 227 H MET 29 H MET 29 -12.885 14.593 5.988 228 HA MET 29 HA MET 29 -11.848 13.102 8.147 229 HB2 MET 29 HB2 MET 29 -14.596 14.245 7.634 230 HB3 MET 29 HB3 MET 29 -14.183 13.416 9.128 231 HG2 MET 29 HG2 MET 29 -12.773 15.853 8.006 232 HG3 MET 29 HG3 MET 29 -13.873 15.839 9.385 233 HE1 MET 29 HE1 MET 29 -13.648 14.400 11.358 234 HE2 MET 29 HE2 MET 29 -12.158 13.754 12.039 235 HE3 MET 29 HE3 MET 29 -12.958 12.899 10.724 236 H GLU 30 H GLU 30 -14.726 12.393 6.113 237 HA GLU 30 HA GLU 30 -15.098 9.786 7.216 238 HB2 GLU 30 HB2 GLU 30 -16.031 10.999 4.606 239 HB3 GLU 30 HB3 GLU 30 -16.518 9.404 5.176 240 HG2 GLU 30 HG2 GLU 30 -18.250 10.681 6.032 241 HG3 GLU 30 HG3 GLU 30 -17.123 10.741 7.386 242 H GLU 31 H GLU 31 -13.459 10.995 4.341 243 HA GLU 31 HA GLU 31 -12.715 8.475 3.267 244 HB2 GLU 31 HB2 GLU 31 -12.814 10.747 2.083 245 HB3 GLU 31 HB3 GLU 31 -11.238 11.063 2.806 246 HG2 GLU 31 HG2 GLU 31 -10.396 8.948 1.769 247 HG3 GLU 31 HG3 GLU 31 -11.952 8.755 0.974 248 H SER 32 H SER 32 -11.694 9.928 6.084 249 HA SER 32 HA SER 32 -8.980 9.811 6.263 250 HB2 SER 32 HB2 SER 32 -9.251 9.216 8.628 251 HB3 SER 32 HB3 SER 32 -10.441 10.421 8.145 252 HG SER 32 HG SER 32 -11.747 8.382 7.671 253 H THR 33 H THR 33 -11.126 7.167 5.724 254 HA THR 33 HA THR 33 -9.282 5.088 6.488 255 HB THR 33 HB THR 33 -10.940 3.597 5.371 256 HG1 THR 33 HG1 THR 33 -11.793 6.068 4.481 257 HG21 THR 33 HG21 THR 33 -11.181 4.300 7.748 258 HG22 THR 33 HG22 THR 33 -12.737 4.012 6.971 259 HG23 THR 33 HG23 THR 33 -12.168 5.662 7.220 260 H TYR 34 H TYR 34 -10.640 6.083 3.338 261 HA TYR 34 HA TYR 34 -8.419 4.774 1.936 262 HB2 TYR 34 HB2 TYR 34 -11.021 5.879 0.872 263 HB3 TYR 34 HB3 TYR 34 -9.829 4.967 -0.053 264 HD1 TYR 34 HD2 TYR 34 -9.235 2.600 0.728 265 HD2 TYR 34 HD1 TYR 34 -12.649 4.766 2.182 266 HE1 TYR 34 HE2 TYR 34 -10.246 0.478 1.517 267 HE2 TYR 34 HE1 TYR 34 -13.659 2.643 2.970 268 HH TYR 34 HH TYR 34 -12.660 0.290 3.689 269 H GLN 35 H GLN 35 -8.768 7.817 3.083 270 HA GLN 35 HA GLN 35 -8.611 9.741 1.252 271 HB2 GLN 35 HB2 GLN 35 -7.060 10.983 2.540 272 HB3 GLN 35 HB3 GLN 35 -8.012 10.032 3.683 273 HG2 GLN 35 HG2 GLN 35 -5.274 9.242 2.623 274 HG3 GLN 35 HG3 GLN 35 -5.560 9.999 4.186 275 HE21 GLN 35 HE21 GLN 35 -8.178 8.411 4.373 276 HE22 GLN 35 HE22 GLN 35 -7.684 6.867 4.862 277 H THR 36 H THR 36 -6.135 7.233 1.520 278 HA THR 36 HA THR 36 -4.162 8.491 -0.034 279 HB THR 36 HB THR 36 -4.821 5.532 -0.013 280 HG1 THR 36 HG1 THR 36 -4.543 6.586 2.081 281 HG21 THR 36 HG21 THR 36 -2.288 7.101 -0.570 282 HG22 THR 36 HG22 THR 36 -3.202 6.130 -1.724 283 HG23 THR 36 HG23 THR 36 -2.351 5.347 -0.393 284 H MET 37 H MET 37 -4.653 9.459 -1.871 285 HA MET 37 HA MET 37 -6.733 8.786 -3.632 286 HB2 MET 37 HB2 MET 37 -4.192 10.357 -4.099 287 HB3 MET 37 HB3 MET 37 -5.529 10.275 -5.247 288 HG2 MET 37 HG2 MET 37 -5.974 11.103 -2.375 289 HG3 MET 37 HG3 MET 37 -5.499 12.273 -3.608 290 HE1 MET 37 HE1 MET 37 -6.984 13.470 -5.021 291 HE2 MET 37 HE2 MET 37 -8.368 12.780 -5.865 292 HE3 MET 37 HE3 MET 37 -6.766 12.088 -6.103 293 HA PRO 38 HA PRO 38 -4.598 5.332 -5.585 294 HB2 PRO 38 HB2 PRO 38 -6.776 4.197 -6.699 295 HB3 PRO 38 HB3 PRO 38 -6.468 4.100 -4.954 296 HG2 PRO 38 HG2 PRO 38 -8.359 5.838 -6.447 297 HG3 PRO 38 HG3 PRO 38 -8.549 5.049 -4.873 298 HD2 PRO 38 HD2 PRO 38 -7.864 7.734 -5.249 299 HD3 PRO 38 HD3 PRO 38 -7.609 6.811 -3.750 300 H ARG 39 H ARG 39 -3.838 5.002 -7.680 301 HA ARG 39 HA ARG 39 -4.006 7.108 -9.557 302 HB2 ARG 39 HB2 ARG 39 -3.315 4.235 -10.162 303 HB3 ARG 39 HB3 ARG 39 -2.818 5.661 -11.066 304 HG2 ARG 39 HG2 ARG 39 -1.580 6.480 -9.060 305 HG3 ARG 39 HG3 ARG 39 -1.989 4.979 -8.229 306 HD2 ARG 39 HD2 ARG 39 -0.878 3.730 -10.123 307 HD3 ARG 39 HD3 ARG 39 -0.322 5.283 -10.740 308 HE ARG 39 HE ARG 39 1.263 5.334 -9.043 309 HH11 ARG 39 HH21 ARG 39 -1.175 2.959 -8.378 310 HH12 ARG 39 HH22 ARG 39 -0.339 2.289 -7.017 311 HH21 ARG 39 HH11 ARG 39 2.354 4.457 -7.261 312 HH22 ARG 39 HH12 ARG 39 1.656 3.136 -6.385 313 H ARG 40 H ARG 40 -5.655 3.994 -9.283 314 HA ARG 40 HA ARG 40 -7.015 4.183 -11.774 315 HB2 ARG 40 HB2 ARG 40 -7.534 2.531 -9.296 316 HB3 ARG 40 HB3 ARG 40 -8.479 2.381 -10.777 317 HG2 ARG 40 HG2 ARG 40 -5.465 2.171 -10.769 318 HG3 ARG 40 HG3 ARG 40 -6.502 0.768 -10.519 319 HD2 ARG 40 HD2 ARG 40 -6.617 2.605 -12.929 320 HD3 ARG 40 HD3 ARG 40 -5.839 1.027 -12.900 321 HE ARG 40 HE ARG 40 -8.684 1.550 -13.033 322 HH11 ARG 40 HH21 ARG 40 -6.188 -0.691 -12.154 323 HH12 ARG 40 HH22 ARG 40 -7.200 -2.086 -12.313 324 HH21 ARG 40 HH11 ARG 40 -10.007 -0.279 -13.242 325 HH22 ARG 40 HH12 ARG 40 -9.359 -1.854 -12.928 326 H GLY 41 H GLY 41 -8.087 5.963 -12.069 327 HA2 GLY 41 HA2 GLY 41 -9.717 7.595 -11.889 328 HA3 GLY 41 HA3 GLY 41 -10.705 6.301 -11.221 329 H MET 42 H MET 42 -8.498 8.928 -10.435 330 HA MET 42 HA MET 42 -8.441 8.726 -7.647 331 HB2 MET 42 HB2 MET 42 -8.377 11.173 -9.427 332 HB3 MET 42 HB3 MET 42 -8.027 11.200 -7.698 333 HG2 MET 42 HG2 MET 42 -6.219 9.524 -8.074 334 HG3 MET 42 HG3 MET 42 -6.533 9.610 -9.807 335 HE1 MET 42 HE1 MET 42 -4.118 10.241 -10.382 336 HE2 MET 42 HE2 MET 42 -3.733 10.034 -8.676 337 HE3 MET 42 HE3 MET 42 -3.173 11.470 -9.530 338 H GLU 43 H GLU 43 -9.511 10.417 -6.162 339 HA GLU 43 HA GLU 43 -12.323 9.973 -6.216 340 HB2 GLU 43 HB2 GLU 43 -10.833 10.328 -4.163 341 HB3 GLU 43 HB3 GLU 43 -10.924 12.051 -4.533 342 HG2 GLU 43 HG2 GLU 43 -13.370 11.976 -4.398 343 HG3 GLU 43 HG3 GLU 43 -13.320 10.240 -4.106 344 HA PRO 44 HA PRO 44 -13.383 13.324 -8.948 345 HB2 PRO 44 HB2 PRO 44 -16.092 13.321 -8.411 346 HB3 PRO 44 HB3 PRO 44 -15.290 12.201 -9.528 347 HG2 PRO 44 HG2 PRO 44 -16.167 11.771 -6.722 348 HG3 PRO 44 HG3 PRO 44 -16.206 10.662 -8.103 349 HD2 PRO 44 HD2 PRO 44 -14.316 10.499 -6.146 350 HD3 PRO 44 HD3 PRO 44 -13.995 10.026 -7.829 351 H HIS 45 H HIS 45 -14.174 13.255 -5.539 352 HA HIS 45 HA HIS 45 -15.350 15.736 -5.149 353 HB2 HIS 45 HB2 HIS 45 -13.349 14.301 -3.385 354 HB3 HIS 45 HB3 HIS 45 -14.343 15.665 -2.872 355 HD2 HIS 45 HD2 HIS 45 -17.293 14.955 -3.576 356 HE1 HIS 45 HE1 HIS 45 -16.580 10.978 -2.354 357 HE2 HIS 45 HE2 HIS 45 -18.382 12.688 -2.879 358 H MET 46 H MET 46 -11.886 14.938 -5.339 359 HA MET 46 HA MET 46 -10.941 17.584 -4.900 360 HB2 MET 46 HB2 MET 46 -9.596 15.361 -6.462 361 HB3 MET 46 HB3 MET 46 -8.810 16.758 -5.728 362 HG2 MET 46 HG2 MET 46 -10.191 14.474 -4.301 363 HG3 MET 46 HG3 MET 46 -8.478 14.889 -4.248 364 HE1 MET 46 HE1 MET 46 -11.461 15.251 -1.637 365 HE2 MET 46 HE2 MET 46 -9.898 15.234 -0.826 366 HE3 MET 46 HE3 MET 46 -10.190 14.148 -2.179 367 H SER 47 H SER 47 -11.677 15.707 -7.803 368 HA SER 47 HA SER 47 -10.798 17.507 -9.755 369 HB2 SER 47 HB2 SER 47 -13.158 15.629 -9.958 370 HB3 SER 47 HB3 SER 47 -12.217 16.289 -11.291 371 HG SER 47 HG SER 47 -11.250 14.619 -9.203 372 H GLU 48 H GLU 48 -13.794 17.428 -7.906 373 HA GLU 48 HA GLU 48 -15.382 19.112 -9.454 374 HB2 GLU 48 HB2 GLU 48 -15.617 17.898 -6.985 375 HB3 GLU 48 HB3 GLU 48 -15.613 19.612 -6.572 376 HG2 GLU 48 HG2 GLU 48 -17.298 18.763 -8.891 377 HG3 GLU 48 HG3 GLU 48 -17.860 18.327 -7.280 378 H CYS 49 H CYS 49 -13.210 20.034 -6.766 379 HA CYS 49 HA CYS 49 -13.548 22.832 -7.168 380 HB2 CYS 49 HB2 CYS 49 -11.887 21.092 -5.463 381 HB3 CYS 49 HB3 CYS 49 -11.145 22.640 -5.874 382 H CYS 50 H CYS 50 -11.350 20.434 -8.476 383 HA CYS 50 HA CYS 50 -9.272 21.963 -9.454 384 HB2 CYS 50 HB2 CYS 50 -9.450 19.479 -9.601 385 HB3 CYS 50 HB3 CYS 50 -10.575 19.687 -10.946 386 H GLU 51 H GLU 51 -12.421 21.393 -11.012 387 HA GLU 51 HA GLU 51 -11.875 22.653 -13.444 388 HB2 GLU 51 HB2 GLU 51 -13.893 21.270 -12.952 389 HB3 GLU 51 HB3 GLU 51 -14.537 22.614 -12.010 390 HG2 GLU 51 HG2 GLU 51 -15.469 22.720 -14.254 391 HG3 GLU 51 HG3 GLU 51 -14.359 24.069 -14.036 392 H GLN 52 H GLN 52 -12.936 24.035 -10.364 393 HA GLN 52 HA GLN 52 -13.587 26.610 -11.262 394 HB2 GLN 52 HB2 GLN 52 -12.425 25.768 -8.600 395 HB3 GLN 52 HB3 GLN 52 -13.234 27.302 -8.929 396 HG2 GLN 52 HG2 GLN 52 -14.657 24.762 -9.636 397 HG3 GLN 52 HG3 GLN 52 -14.584 25.240 -7.945 398 HE21 GLN 52 HE21 GLN 52 -16.440 26.381 -7.380 399 HE22 GLN 52 HE22 GLN 52 -17.247 27.484 -8.386 400 H LEU 53 H LEU 53 -10.472 25.471 -9.888 401 HA LEU 53 HA LEU 53 -9.039 27.885 -10.277 402 HB2 LEU 53 HB2 LEU 53 -7.792 25.156 -10.593 403 HB3 LEU 53 HB3 LEU 53 -7.062 26.610 -9.951 404 HG LEU 53 HG LEU 53 -7.476 25.588 -7.947 405 HD11 LEU 53 HD11 LEU 53 -9.306 27.516 -8.364 406 HD12 LEU 53 HD12 LEU 53 -9.272 26.559 -6.887 407 HD13 LEU 53 HD13 LEU 53 -10.400 26.146 -8.174 408 HD21 LEU 53 HD21 LEU 53 -9.463 23.939 -7.764 409 HD22 LEU 53 HD22 LEU 53 -8.096 23.473 -8.775 410 HD23 LEU 53 HD23 LEU 53 -9.567 24.095 -9.516 411 H GLU 54 H GLU 54 -9.322 24.957 -12.121 412 HA GLU 54 HA GLU 54 -7.797 25.528 -14.348 413 HB2 GLU 54 HB2 GLU 54 -8.564 23.343 -13.863 414 HB3 GLU 54 HB3 GLU 54 -10.253 23.834 -13.904 415 HG2 GLU 54 HG2 GLU 54 -9.948 24.414 -16.345 416 HG3 GLU 54 HG3 GLU 54 -8.320 23.747 -16.252 417 H GLY 55 H GLY 55 -11.054 26.543 -13.522 418 HA2 GLY 55 HA2 GLY 55 -11.535 27.703 -16.163 419 HA3 GLY 55 HA3 GLY 55 -12.652 27.701 -14.798 420 H MET 56 H MET 56 -10.102 28.573 -13.214 421 HA MET 56 HA MET 56 -10.649 31.426 -13.393 422 HB2 MET 56 HB2 MET 56 -10.475 30.392 -11.185 423 HB3 MET 56 HB3 MET 56 -8.849 29.824 -11.556 424 HG2 MET 56 HG2 MET 56 -8.614 31.827 -10.246 425 HG3 MET 56 HG3 MET 56 -8.185 32.242 -11.903 426 HE1 MET 56 HE1 MET 56 -11.080 34.248 -9.266 427 HE2 MET 56 HE2 MET 56 -9.333 34.024 -9.229 428 HE3 MET 56 HE3 MET 56 -10.398 32.650 -8.943 429 H ASP 57 H ASP 57 -9.207 33.000 -14.044 430 HA ASP 57 HA ASP 57 -7.353 32.445 -16.045 431 HB2 ASP 57 HB2 ASP 57 -7.452 34.800 -14.146 432 HB3 ASP 57 HB3 ASP 57 -6.472 34.738 -15.608 433 H GLU 58 H GLU 58 -5.125 32.195 -16.106 434 HA GLU 58 HA GLU 58 -3.899 30.704 -14.116 435 HB2 GLU 58 HB2 GLU 58 -2.998 30.698 -16.332 436 HB3 GLU 58 HB3 GLU 58 -2.686 32.433 -16.273 437 HG2 GLU 58 HG2 GLU 58 -1.085 32.090 -14.434 438 HG3 GLU 58 HG3 GLU 58 -1.390 30.355 -14.490 439 H SER 59 H SER 59 -3.239 34.148 -14.832 440 HA SER 59 HA SER 59 -1.527 34.622 -12.674 441 HB2 SER 59 HB2 SER 59 -3.458 36.569 -13.959 442 HB3 SER 59 HB3 SER 59 -2.041 36.991 -13.002 443 HG SER 59 HG SER 59 -0.842 35.716 -14.606 444 H CYS 60 H CYS 60 -5.004 34.598 -12.899 445 HA CYS 60 HA CYS 60 -5.498 35.705 -10.290 446 HB2 CYS 60 HB2 CYS 60 -7.323 34.140 -12.126 447 HB3 CYS 60 HB3 CYS 60 -7.829 35.047 -10.703 448 H ARG 61 H ARG 61 -4.863 32.553 -11.567 449 HA ARG 61 HA ARG 61 -6.050 30.937 -9.605 450 HB2 ARG 61 HB2 ARG 61 -5.062 30.201 -11.809 451 HB3 ARG 61 HB3 ARG 61 -3.471 30.352 -11.067 452 HG2 ARG 61 HG2 ARG 61 -4.205 28.755 -9.282 453 HG3 ARG 61 HG3 ARG 61 -5.720 28.532 -10.160 454 HD2 ARG 61 HD2 ARG 61 -2.930 27.896 -11.151 455 HD3 ARG 61 HD3 ARG 61 -4.214 26.745 -10.799 456 HE ARG 61 HE ARG 61 -4.107 28.577 -13.105 457 HH11 ARG 61 HH21 ARG 61 -5.641 25.999 -11.356 458 HH12 ARG 61 HH22 ARG 61 -6.695 25.572 -12.660 459 HH21 ARG 61 HH11 ARG 61 -5.490 28.020 -14.794 460 HH22 ARG 61 HH12 ARG 61 -6.610 26.714 -14.604 461 H CYS 62 H CYS 62 -2.870 32.516 -9.703 462 HA CYS 62 HA CYS 62 -1.709 31.286 -7.468 463 HB2 CYS 62 HB2 CYS 62 -1.290 34.206 -8.057 464 HB3 CYS 62 HB3 CYS 62 -0.119 33.007 -7.511 465 H GLU 63 H GLU 63 -3.358 34.439 -7.611 466 HA GLU 63 HA GLU 63 -3.499 34.905 -4.846 467 HB2 GLU 63 HB2 GLU 63 -3.915 36.581 -6.677 468 HB3 GLU 63 HB3 GLU 63 -5.486 35.828 -6.931 469 HG2 GLU 63 HG2 GLU 63 -6.011 36.259 -4.507 470 HG3 GLU 63 HG3 GLU 63 -4.497 37.149 -4.386 471 H GLY 64 H GLY 64 -5.658 33.192 -7.041 472 HA2 GLY 64 HA2 GLY 64 -7.941 32.925 -5.514 473 HA3 GLY 64 HA3 GLY 64 -7.380 31.719 -6.664 474 H LEU 65 H LEU 65 -5.304 30.500 -5.652 475 HA LEU 65 HA LEU 65 -6.298 28.841 -3.642 476 HB2 LEU 65 HB2 LEU 65 -3.425 29.352 -4.442 477 HB3 LEU 65 HB3 LEU 65 -3.964 28.012 -3.426 478 HG LEU 65 HG LEU 65 -4.826 28.551 -6.286 479 HD11 LEU 65 HD11 LEU 65 -2.530 27.602 -5.970 480 HD12 LEU 65 HD12 LEU 65 -3.626 26.496 -6.798 481 HD13 LEU 65 HD13 LEU 65 -3.248 26.251 -5.092 482 HD21 LEU 65 HD21 LEU 65 -5.826 26.706 -4.143 483 HD22 LEU 65 HD22 LEU 65 -5.787 26.109 -5.802 484 HD23 LEU 65 HD23 LEU 65 -6.725 27.547 -5.405 485 H ARG 66 H ARG 66 -4.033 31.581 -3.352 486 HA ARG 66 HA ARG 66 -3.502 31.334 -0.611 487 HB2 ARG 66 HB2 ARG 66 -3.661 33.817 -2.338 488 HB3 ARG 66 HB3 ARG 66 -2.990 33.776 -0.708 489 HG2 ARG 66 HG2 ARG 66 -1.348 32.063 -1.448 490 HG3 ARG 66 HG3 ARG 66 -1.992 32.179 -3.086 491 HD2 ARG 66 HD2 ARG 66 -0.037 33.592 -2.969 492 HD3 ARG 66 HD3 ARG 66 -1.451 34.636 -3.047 493 HE ARG 66 HE ARG 66 -0.973 35.368 -0.891 494 HH11 ARG 66 HH21 ARG 66 0.818 32.497 -1.647 495 HH12 ARG 66 HH22 ARG 66 1.796 32.571 -0.219 496 HH21 ARG 66 HH11 ARG 66 0.306 35.463 0.976 497 HH22 ARG 66 HH12 ARG 66 1.506 34.247 1.264 498 H MET 67 H MET 67 -5.944 33.366 -2.231 499 HA MET 67 HA MET 67 -7.180 34.325 0.109 500 HB2 MET 67 HB2 MET 67 -7.630 35.490 -1.899 501 HB3 MET 67 HB3 MET 67 -8.132 34.022 -2.736 502 HG2 MET 67 HG2 MET 67 -10.131 33.850 -1.399 503 HG3 MET 67 HG3 MET 67 -9.596 35.152 -0.334 504 HE1 MET 67 HE1 MET 67 -8.575 37.574 -2.656 505 HE2 MET 67 HE2 MET 67 -8.974 37.269 -0.967 506 HE3 MET 67 HE3 MET 67 -10.015 38.309 -1.935 507 H MET 68 H MET 68 -8.068 31.610 -2.011 508 HA MET 68 HA MET 68 -10.366 30.828 -0.602 509 HB2 MET 68 HB2 MET 68 -10.185 29.966 -2.756 510 HB3 MET 68 HB3 MET 68 -8.517 29.452 -2.517 511 HG2 MET 68 HG2 MET 68 -9.182 27.633 -1.105 512 HG3 MET 68 HG3 MET 68 -10.839 28.237 -0.998 513 HE1 MET 68 HE1 MET 68 -8.721 26.204 -4.495 514 HE2 MET 68 HE2 MET 68 -8.059 26.738 -2.953 515 HE3 MET 68 HE3 MET 68 -8.410 27.921 -4.210 516 H MET 69 H MET 69 -7.009 29.625 -0.341 517 HA MET 69 HA MET 69 -7.420 27.588 1.493 518 HB2 MET 69 HB2 MET 69 -5.242 28.128 0.403 519 HB3 MET 69 HB3 MET 69 -5.078 29.510 1.486 520 HG2 MET 69 HG2 MET 69 -5.228 27.960 3.434 521 HG3 MET 69 HG3 MET 69 -5.289 26.598 2.314 522 HE1 MET 69 HE1 MET 69 -3.239 26.718 4.581 523 HE2 MET 69 HE2 MET 69 -1.748 26.240 3.774 524 HE3 MET 69 HE3 MET 69 -3.261 25.436 3.362 525 H ARG 70 H ARG 70 -6.641 30.989 2.211 526 HA ARG 70 HA ARG 70 -6.896 30.811 5.010 527 HB2 ARG 70 HB2 ARG 70 -7.293 33.176 3.160 528 HB3 ARG 70 HB3 ARG 70 -7.121 33.282 4.912 529 HG2 ARG 70 HG2 ARG 70 -4.899 32.215 4.762 530 HG3 ARG 70 HG3 ARG 70 -5.065 32.120 3.009 531 HD2 ARG 70 HD2 ARG 70 -5.372 34.641 3.015 532 HD3 ARG 70 HD3 ARG 70 -4.892 34.616 4.710 533 HE ARG 70 HE ARG 70 -2.845 33.306 3.582 534 HH11 ARG 70 HH21 ARG 70 -4.512 36.204 2.658 535 HH12 ARG 70 HH22 ARG 70 -3.132 36.910 1.887 536 HH21 ARG 70 HH11 ARG 70 -1.040 34.233 2.572 537 HH22 ARG 70 HH12 ARG 70 -1.170 35.796 1.838 538 H MET 71 H MET 71 -9.251 31.639 2.489 539 HA MET 71 HA MET 71 -11.378 32.348 4.201 540 HB2 MET 71 HB2 MET 71 -11.213 32.856 1.741 541 HB3 MET 71 HB3 MET 71 -11.611 31.167 1.428 542 HG2 MET 71 HG2 MET 71 -13.708 31.462 2.763 543 HG3 MET 71 HG3 MET 71 -13.325 33.175 2.922 544 HE1 MET 71 HE1 MET 71 -13.564 34.683 -0.470 545 HE2 MET 71 HE2 MET 71 -12.059 33.837 -0.122 546 HE3 MET 71 HE3 MET 71 -12.890 34.707 1.165 547 H MET 72 H MET 72 -10.368 29.266 2.794 548 HA MET 72 HA MET 72 -12.606 27.744 3.441 549 HB2 MET 72 HB2 MET 72 -9.692 27.052 3.155 550 HB3 MET 72 HB3 MET 72 -10.884 25.823 3.573 551 HG2 MET 72 HG2 MET 72 -11.103 27.637 1.153 552 HG3 MET 72 HG3 MET 72 -10.446 26.002 1.103 553 HE1 MET 72 HE1 MET 72 -12.888 24.324 3.210 554 HE2 MET 72 HE2 MET 72 -11.402 24.214 2.270 555 HE3 MET 72 HE3 MET 72 -12.907 23.600 1.597 556 H GLN 73 H GLN 73 -9.594 28.078 5.313 557 HA GLN 73 HA GLN 73 -10.471 26.654 7.577 558 HB2 GLN 73 HB2 GLN 73 -8.431 28.882 7.412 559 HB3 GLN 73 HB3 GLN 73 -8.600 27.745 8.747 560 HG2 GLN 73 HG2 GLN 73 -7.836 27.115 5.884 561 HG3 GLN 73 HG3 GLN 73 -6.827 26.941 7.319 562 HE21 GLN 73 HE21 GLN 73 -8.906 25.250 5.244 563 HE22 GLN 73 HE22 GLN 73 -9.221 23.920 6.247 564 H GLN 74 H GLN 74 -10.643 30.084 6.746 565 HA GLN 74 HA GLN 74 -11.609 31.029 9.208 566 HB2 GLN 74 HB2 GLN 74 -10.835 32.687 7.775 567 HB3 GLN 74 HB3 GLN 74 -11.730 32.053 6.397 568 HG2 GLN 74 HG2 GLN 74 -13.452 32.793 8.657 569 HG3 GLN 74 HG3 GLN 74 -12.548 34.157 7.997 570 HE21 GLN 74 HE21 GLN 74 -13.326 31.473 5.878 571 HE22 GLN 74 HE22 GLN 74 -14.536 32.270 5.008 572 H LYS 75 H LYS 75 -13.358 29.882 6.342 573 HA LYS 75 HA LYS 75 -15.950 30.503 7.198 574 HB2 LYS 75 HB2 LYS 75 -15.313 29.757 4.900 575 HB3 LYS 75 HB3 LYS 75 -15.117 28.121 5.526 576 HG2 LYS 75 HG2 LYS 75 -17.323 28.162 4.659 577 HG3 LYS 75 HG3 LYS 75 -17.531 28.347 6.398 578 HD2 LYS 75 HD2 LYS 75 -17.754 30.771 6.150 579 HD3 LYS 75 HD3 LYS 75 -17.445 30.644 4.417 580 HE2 LYS 75 HE2 LYS 75 -19.746 29.242 5.802 581 HE3 LYS 75 HE3 LYS 75 -19.893 30.827 5.044 582 HZ1 LYS 75 HZ1 LYS 75 -20.390 29.614 3.241 583 HZ2 LYS 75 HZ2 LYS 75 -19.637 28.210 3.829 584 HZ3 LYS 75 HZ3 LYS 75 -18.710 29.433 3.104 585 H GLU 76 H GLU 76 -13.972 27.630 7.762 586 HA GLU 76 HA GLU 76 -15.333 27.023 10.209 587 HB2 GLU 76 HB2 GLU 76 -16.973 26.185 8.487 588 HB3 GLU 76 HB3 GLU 76 -15.741 25.044 7.955 589 HG2 GLU 76 HG2 GLU 76 -17.165 23.895 9.530 590 HG3 GLU 76 HG3 GLU 76 -15.618 24.184 10.320 591 H MET 77 H MET 77 -12.972 27.305 10.615 592 HA MET 77 HA MET 77 -10.987 25.601 9.641 593 HB2 MET 77 HB2 MET 77 -10.609 27.647 11.041 594 HB3 MET 77 HB3 MET 77 -11.139 26.727 12.449 595 HG2 MET 77 HG2 MET 77 -9.338 25.062 11.999 596 HG3 MET 77 HG3 MET 77 -8.780 26.066 10.661 597 HE1 MET 77 HE1 MET 77 -6.883 25.163 12.896 598 HE2 MET 77 HE2 MET 77 -6.004 26.646 13.257 599 HE3 MET 77 HE3 MET 77 -6.405 26.253 11.587 600 H GLN 78 H GLN 78 -11.678 23.460 9.479 601 HA GLN 78 HA GLN 78 -12.948 21.931 11.434 602 HB2 GLN 78 HB2 GLN 78 -11.434 21.421 8.987 603 HB3 GLN 78 HB3 GLN 78 -11.216 20.149 10.189 604 HG2 GLN 78 HG2 GLN 78 -13.681 19.975 10.429 605 HG3 GLN 78 HG3 GLN 78 -13.874 21.201 9.177 606 HE21 GLN 78 HE21 GLN 78 -14.556 20.110 7.319 607 HE22 GLN 78 HE22 GLN 78 -13.845 18.689 6.719 608 HA PRO 79 HA PRO 79 -9.546 21.617 14.312 609 HB2 PRO 79 HB2 PRO 79 -10.836 20.436 16.329 610 HB3 PRO 79 HB3 PRO 79 -11.287 22.075 15.812 611 HG2 PRO 79 HG2 PRO 79 -12.640 19.487 15.288 612 HG3 PRO 79 HG3 PRO 79 -13.336 21.088 15.583 613 HD2 PRO 79 HD2 PRO 79 -12.937 19.881 13.051 614 HD3 PRO 79 HD3 PRO 79 -13.344 21.585 13.350 615 H ARG 80 H ARG 80 -8.000 20.222 13.763 616 HA ARG 80 HA ARG 80 -7.974 17.566 14.685 617 HB2 ARG 80 HB2 ARG 80 -9.112 17.922 12.057 618 HB3 ARG 80 HB3 ARG 80 -7.620 16.985 11.953 619 HG2 ARG 80 HG2 ARG 80 -8.436 15.273 13.299 620 HG3 ARG 80 HG3 ARG 80 -9.593 16.324 14.114 621 HD2 ARG 80 HD2 ARG 80 -10.065 16.106 11.228 622 HD3 ARG 80 HD3 ARG 80 -10.194 14.567 12.071 623 HE ARG 80 HE ARG 80 -11.998 15.448 13.343 624 HH11 ARG 80 HH21 ARG 80 -10.681 17.707 11.058 625 HH12 ARG 80 HH22 ARG 80 -12.052 18.762 11.117 626 HH21 ARG 80 HH11 ARG 80 -13.784 16.833 13.411 627 HH22 ARG 80 HH12 ARG 80 -13.803 18.269 12.443 628 H GLY 81 H GLY 81 -5.865 17.109 15.057 629 HA2 GLY 81 HA2 GLY 81 -3.861 18.841 13.825 630 HA3 GLY 81 HA3 GLY 81 -3.604 17.747 15.177 631 H GLU 82 H GLU 82 -3.689 15.386 14.640 632 HA GLU 82 HA GLU 82 -1.799 14.770 12.654 633 HB2 GLU 82 HB2 GLU 82 -3.704 12.993 14.183 634 HB3 GLU 82 HB3 GLU 82 -2.406 12.393 13.152 635 HG2 GLU 82 HG2 GLU 82 -1.429 12.438 15.299 636 HG3 GLU 82 HG3 GLU 82 -0.848 13.917 14.542 637 H GLN 83 H GLN 83 -5.338 14.285 12.640 638 HA GLN 83 HA GLN 83 -5.489 12.853 10.240 639 HB2 GLN 83 HB2 GLN 83 -7.343 13.137 11.883 640 HB3 GLN 83 HB3 GLN 83 -7.551 14.790 11.309 641 HG2 GLN 83 HG2 GLN 83 -9.139 13.478 10.099 642 HG3 GLN 83 HG3 GLN 83 -7.828 13.808 8.971 643 HE21 GLN 83 HE21 GLN 83 -6.973 11.995 7.931 644 HE22 GLN 83 HE22 GLN 83 -7.151 10.396 8.474 645 H MET 84 H MET 84 -6.350 16.302 10.608 646 HA MET 84 HA MET 84 -6.400 16.814 7.843 647 HB2 MET 84 HB2 MET 84 -6.268 18.586 10.259 648 HB3 MET 84 HB3 MET 84 -6.191 19.263 8.631 649 HG2 MET 84 HG2 MET 84 -8.314 18.126 8.052 650 HG3 MET 84 HG3 MET 84 -8.401 17.454 9.681 651 HE1 MET 84 HE1 MET 84 -9.172 21.555 8.061 652 HE2 MET 84 HE2 MET 84 -8.154 20.266 7.422 653 HE3 MET 84 HE3 MET 84 -7.478 21.433 8.555 654 H ARG 85 H ARG 85 -3.715 16.876 10.122 655 HA ARG 85 HA ARG 85 -1.906 18.483 8.757 656 HB2 ARG 85 HB2 ARG 85 -1.384 17.490 10.932 657 HB3 ARG 85 HB3 ARG 85 -1.334 15.883 10.209 658 HG2 ARG 85 HG2 ARG 85 0.564 16.539 8.811 659 HG3 ARG 85 HG3 ARG 85 0.475 18.190 9.427 660 HD2 ARG 85 HD2 ARG 85 2.220 17.021 10.637 661 HD3 ARG 85 HD3 ARG 85 0.868 17.294 11.731 662 HE ARG 85 HE ARG 85 1.119 14.706 10.327 663 HH11 ARG 85 HH21 ARG 85 1.060 16.597 13.242 664 HH12 ARG 85 HH22 ARG 85 0.913 15.221 14.282 665 HH21 ARG 85 HH11 ARG 85 0.927 12.918 11.697 666 HH22 ARG 85 HH12 ARG 85 0.839 13.145 13.412 667 H ARG 86 H ARG 86 -2.642 15.045 8.247 668 HA ARG 86 HA ARG 86 -0.816 14.584 6.144 669 HB2 ARG 86 HB2 ARG 86 -3.493 13.286 6.722 670 HB3 ARG 86 HB3 ARG 86 -2.291 12.662 5.591 671 HG2 ARG 86 HG2 ARG 86 -0.642 12.526 7.443 672 HG3 ARG 86 HG3 ARG 86 -1.878 13.092 8.566 673 HD2 ARG 86 HD2 ARG 86 -3.293 11.120 7.860 674 HD3 ARG 86 HD3 ARG 86 -1.897 10.520 6.967 675 HE ARG 86 HE ARG 86 -0.980 10.997 9.533 676 HH11 ARG 86 HH21 ARG 86 -3.456 9.095 8.026 677 HH12 ARG 86 HH22 ARG 86 -3.415 7.849 9.228 678 HH21 ARG 86 HH11 ARG 86 -0.928 9.367 11.105 679 HH22 ARG 86 HH12 ARG 86 -1.987 8.003 10.968 680 H MET 87 H MET 87 -4.109 15.819 6.231 681 HA MET 87 HA MET 87 -4.759 15.812 3.522 682 HB2 MET 87 HB2 MET 87 -6.284 16.407 5.441 683 HB3 MET 87 HB3 MET 87 -5.512 17.991 5.480 684 HG2 MET 87 HG2 MET 87 -6.069 18.032 2.918 685 HG3 MET 87 HG3 MET 87 -7.247 16.793 3.339 686 HE1 MET 87 HE1 MET 87 -8.222 17.085 5.826 687 HE2 MET 87 HE2 MET 87 -9.597 17.392 4.771 688 HE3 MET 87 HE3 MET 87 -9.296 18.454 6.141 689 H MET 88 H MET 88 -2.661 17.990 5.325 690 HA MET 88 HA MET 88 -2.560 20.220 3.724 691 HB2 MET 88 HB2 MET 88 -0.286 18.776 5.101 692 HB3 MET 88 HB3 MET 88 -0.167 20.402 4.432 693 HG2 MET 88 HG2 MET 88 -1.751 21.274 5.971 694 HG3 MET 88 HG3 MET 88 -2.317 19.667 6.423 695 HE1 MET 88 HE1 MET 88 1.548 19.930 5.906 696 HE2 MET 88 HE2 MET 88 1.981 21.058 7.187 697 HE3 MET 88 HE3 MET 88 0.906 21.578 5.892 698 H ARG 89 H ARG 89 -0.577 17.271 3.312 699 HA ARG 89 HA ARG 89 0.691 18.074 0.929 700 HB2 ARG 89 HB2 ARG 89 0.004 15.291 1.914 701 HB3 ARG 89 HB3 ARG 89 1.119 15.650 0.594 702 HG2 ARG 89 HG2 ARG 89 1.447 16.751 3.402 703 HG3 ARG 89 HG3 ARG 89 2.237 15.278 2.834 704 HD2 ARG 89 HD2 ARG 89 3.283 16.588 0.991 705 HD3 ARG 89 HD3 ARG 89 2.558 18.052 1.649 706 HE ARG 89 HE ARG 89 4.852 16.631 2.706 707 HH11 ARG 89 HH21 ARG 89 2.233 18.810 3.353 708 HH12 ARG 89 HH22 ARG 89 3.022 19.572 4.692 709 HH21 ARG 89 HH11 ARG 89 5.882 17.628 4.460 710 HH22 ARG 89 HH12 ARG 89 5.085 18.904 5.319 711 H LEU 90 H LEU 90 -2.305 16.276 1.510 712 HA LEU 90 HA LEU 90 -2.965 15.722 -1.172 713 HB2 LEU 90 HB2 LEU 90 -4.020 14.698 0.866 714 HB3 LEU 90 HB3 LEU 90 -4.881 16.215 1.120 715 HG LEU 90 HG LEU 90 -5.057 14.955 -1.589 716 HD11 LEU 90 HD11 LEU 90 -7.014 13.599 -0.756 717 HD12 LEU 90 HD12 LEU 90 -6.499 13.964 0.890 718 HD13 LEU 90 HD13 LEU 90 -5.451 13.026 -0.174 719 HD21 LEU 90 HD21 LEU 90 -7.301 15.935 -1.492 720 HD22 LEU 90 HD22 LEU 90 -6.119 17.151 -1.021 721 HD23 LEU 90 HD23 LEU 90 -7.080 16.338 0.210 722 H ALA 91 H ALA 91 -3.675 18.481 0.927 723 HA ALA 91 HA ALA 91 -5.484 19.853 -0.685 724 HB1 ALA 91 HB1 ALA 91 -3.345 21.212 0.954 725 HB2 ALA 91 HB2 ALA 91 -4.731 20.412 1.692 726 HB3 ALA 91 HB3 ALA 91 -4.978 21.780 0.606 727 H GLU 92 H GLU 92 -1.937 20.179 -0.573 728 HA GLU 92 HA GLU 92 -1.685 22.056 -2.656 729 HB2 GLU 92 HB2 GLU 92 0.109 21.440 -1.026 730 HB3 GLU 92 HB3 GLU 92 0.303 19.906 -1.875 731 HG2 GLU 92 HG2 GLU 92 0.789 21.167 -3.972 732 HG3 GLU 92 HG3 GLU 92 0.682 22.672 -3.064 733 H ASN 93 H ASN 93 -2.079 18.572 -2.706 734 HA ASN 93 HA ASN 93 -1.253 18.159 -5.399 735 HB2 ASN 93 HB2 ASN 93 -3.072 16.521 -3.622 736 HB3 ASN 93 HB3 ASN 93 -2.438 15.987 -5.177 737 HD21 ASN 93 HD21 ASN 93 -0.011 17.874 -3.917 738 HD22 ASN 93 HD22 ASN 93 0.882 16.678 -3.109 739 H ILE 94 H ILE 94 -4.358 18.978 -3.922 740 HA ILE 94 HA ILE 94 -6.090 18.421 -6.010 741 HB ILE 94 HB ILE 94 -6.094 20.535 -3.875 742 HG12 ILE 94 HG12 ILE 94 -8.116 18.365 -4.431 743 HG13 ILE 94 HG13 ILE 94 -6.618 18.013 -3.568 744 HG21 ILE 94 HG21 ILE 94 -8.519 20.940 -4.654 745 HG22 ILE 94 HG22 ILE 94 -8.014 20.237 -6.190 746 HG23 ILE 94 HG23 ILE 94 -7.240 21.706 -5.596 747 HD11 ILE 94 HD11 ILE 94 -8.196 18.514 -1.863 748 HD12 ILE 94 HD12 ILE 94 -8.841 19.892 -2.756 749 HD13 ILE 94 HD13 ILE 94 -7.235 19.983 -2.032 750 HA PRO 95 HA PRO 95 -5.237 22.716 -7.997 751 HB2 PRO 95 HB2 PRO 95 -3.067 24.131 -7.113 752 HB3 PRO 95 HB3 PRO 95 -4.691 24.303 -6.420 753 HG2 PRO 95 HG2 PRO 95 -2.354 22.768 -5.412 754 HG3 PRO 95 HG3 PRO 95 -3.538 23.740 -4.521 755 HD2 PRO 95 HD2 PRO 95 -3.656 21.015 -4.635 756 HD3 PRO 95 HD3 PRO 95 -5.094 22.039 -4.455 757 H SER 96 H SER 96 -2.587 20.624 -7.078 758 HA SER 96 HA SER 96 -0.719 21.291 -9.103 759 HB2 SER 96 HB2 SER 96 -1.176 18.618 -7.752 760 HB3 SER 96 HB3 SER 96 0.253 19.076 -8.673 761 HG SER 96 HG SER 96 -0.717 20.192 -6.251 762 H ARG 97 H ARG 97 -3.363 19.100 -8.825 763 HA ARG 97 HA ARG 97 -3.213 17.695 -11.208 764 HB2 ARG 97 HB2 ARG 97 -5.469 18.532 -9.410 765 HB3 ARG 97 HB3 ARG 97 -5.731 17.541 -10.816 766 HG2 ARG 97 HG2 ARG 97 -4.031 15.919 -9.957 767 HG3 ARG 97 HG3 ARG 97 -3.914 16.894 -8.494 768 HD2 ARG 97 HD2 ARG 97 -6.404 15.503 -9.521 769 HD3 ARG 97 HD3 ARG 97 -5.447 15.025 -8.124 770 HE ARG 97 HE ARG 97 -6.287 16.903 -6.940 771 HH11 ARG 97 HH21 ARG 97 -7.503 16.649 -10.182 772 HH12 ARG 97 HH22 ARG 97 -8.802 17.762 -9.921 773 HH21 ARG 97 HH11 ARG 97 -7.983 18.362 -6.609 774 HH22 ARG 97 HH12 ARG 97 -9.072 18.731 -7.903 775 H CYS 98 H CYS 98 -4.526 20.914 -10.540 776 HA CYS 98 HA CYS 98 -5.364 21.161 -13.352 777 HB2 CYS 98 HB2 CYS 98 -5.868 23.401 -11.502 778 HB3 CYS 98 HB3 CYS 98 -6.927 22.664 -12.697 779 H ASN 99 H ASN 99 -2.828 21.902 -11.239 780 HA ASN 99 HA ASN 99 -2.157 24.462 -12.028 781 HB2 ASN 99 HB2 ASN 99 -0.461 22.219 -11.042 782 HB3 ASN 99 HB3 ASN 99 0.263 23.693 -11.709 783 HD21 ASN 99 HD21 ASN 99 -1.662 25.597 -10.864 784 HD22 ASN 99 HD22 ASN 99 -1.629 25.693 -9.171 785 H LEU 100 H LEU 100 -0.723 25.276 -13.361 786 HA LEU 100 HA LEU 100 0.020 23.798 -15.775 787 HB2 LEU 100 HB2 LEU 100 -1.208 26.124 -16.712 788 HB3 LEU 100 HB3 LEU 100 -1.891 24.497 -16.766 789 HG LEU 100 HG LEU 100 -2.607 25.024 -14.257 790 HD11 LEU 100 HD11 LEU 100 -1.515 27.539 -15.160 791 HD12 LEU 100 HD12 LEU 100 -2.061 27.063 -13.553 792 HD13 LEU 100 HD13 LEU 100 -3.213 27.712 -14.718 793 HD21 LEU 100 HD21 LEU 100 -4.216 26.577 -16.197 794 HD22 LEU 100 HD22 LEU 100 -4.712 25.372 -15.009 795 HD23 LEU 100 HD23 LEU 100 -3.972 24.862 -16.524 796 H SER 101 H SER 101 1.811 24.645 -16.742 797 HA SER 101 HA SER 101 3.754 26.044 -15.581 798 HB2 SER 101 HB2 SER 101 3.958 25.100 -17.836 799 HB3 SER 101 HB3 SER 101 2.954 26.398 -18.478 800 HG SER 101 HG SER 101 5.277 26.939 -16.969 801 HA PRO 102 HA PRO 102 1.584 30.007 -15.077 802 HB2 PRO 102 HB2 PRO 102 3.010 30.331 -12.592 803 HB3 PRO 102 HB3 PRO 102 1.296 29.954 -12.824 804 HG2 PRO 102 HG2 PRO 102 3.121 28.224 -11.735 805 HG3 PRO 102 HG3 PRO 102 1.616 27.726 -12.530 806 HD2 PRO 102 HD2 PRO 102 4.403 27.768 -13.654 807 HD3 PRO 102 HD3 PRO 102 3.122 26.542 -13.842 808 H MET 103 H MET 103 2.429 31.633 -16.266 809 HA MET 103 HA MET 103 5.225 32.013 -16.646 810 HB2 MET 103 HB2 MET 103 2.889 33.847 -17.249 811 HB3 MET 103 HB3 MET 103 4.539 34.090 -17.824 812 HG2 MET 103 HG2 MET 103 2.756 31.714 -18.442 813 HG3 MET 103 HG3 MET 103 3.224 32.987 -19.566 814 HE1 MET 103 HE1 MET 103 6.498 33.358 -18.726 815 HE2 MET 103 HE2 MET 103 5.448 33.637 -20.113 816 HE3 MET 103 HE3 MET 103 6.843 32.576 -20.275 817 H ARG 104 H ARG 104 2.799 34.082 -15.020 818 HA ARG 104 HA ARG 104 4.760 34.777 -12.978 819 HB2 ARG 104 HB2 ARG 104 4.013 36.569 -15.179 820 HB3 ARG 104 HB3 ARG 104 3.788 37.284 -13.585 821 HG2 ARG 104 HG2 ARG 104 6.341 35.939 -14.527 822 HG3 ARG 104 HG3 ARG 104 6.076 37.681 -14.501 823 HD2 ARG 104 HD2 ARG 104 6.416 35.784 -12.203 824 HD3 ARG 104 HD3 ARG 104 7.151 37.361 -12.462 825 HE ARG 104 HE ARG 104 4.612 36.833 -11.196 826 HH11 ARG 104 HH21 ARG 104 6.495 39.115 -13.004 827 HH12 ARG 104 HH22 ARG 104 5.623 40.494 -12.425 828 HH21 ARG 104 HH11 ARG 104 3.474 38.636 -10.440 829 HH22 ARG 104 HH12 ARG 104 3.914 40.223 -10.976 830 H CYS 105 H CYS 105 3.849 35.315 -11.051 831 HA CYS 105 HA CYS 105 0.895 35.325 -10.934 832 HB2 CYS 105 HB2 CYS 105 2.994 34.490 -8.935 833 HB3 CYS 105 HB3 CYS 105 1.319 34.789 -8.468 834 HA PRO 106 HA PRO 106 1.589 39.705 -10.095 835 HB2 PRO 106 HB2 PRO 106 -1.322 39.690 -9.601 836 HB3 PRO 106 HB3 PRO 106 -0.376 40.666 -10.738 837 HG2 PRO 106 HG2 PRO 106 -1.960 38.641 -11.529 838 HG3 PRO 106 HG3 PRO 106 -0.475 39.089 -12.383 839 HD2 PRO 106 HD2 PRO 106 -0.981 36.756 -10.591 840 HD3 PRO 106 HD3 PRO 106 0.105 36.894 -11.989 841 H MET 107 H MET 107 0.996 37.292 -8.014 842 HA MET 107 HA MET 107 0.013 38.732 -5.724 843 HB2 MET 107 HB2 MET 107 1.240 36.069 -6.225 844 HB3 MET 107 HB3 MET 107 0.959 36.615 -4.576 845 HG2 MET 107 HG2 MET 107 -0.920 35.368 -6.258 846 HG3 MET 107 HG3 MET 107 -1.243 36.164 -4.720 847 HE1 MET 107 HE1 MET 107 -0.819 36.424 -8.437 848 HE2 MET 107 HE2 MET 107 -2.081 37.542 -8.949 849 HE3 MET 107 HE3 MET 107 -2.523 36.004 -8.214 850 H GLY 108 H GLY 108 1.374 40.474 -5.532 851 HA2 GLY 108 HA2 GLY 108 3.079 41.560 -4.451 852 HA3 GLY 108 HA3 GLY 108 3.742 40.008 -3.973 853 H GLY 109 H GLY 109 3.024 40.712 -7.304 854 HA2 GLY 109 HA2 GLY 109 4.362 40.784 -9.176 855 HA3 GLY 109 HA3 GLY 109 5.375 41.861 -8.222 856 H SER 110 H SER 110 4.667 38.373 -8.574 857 HA SER 110 HA SER 110 6.978 37.372 -7.378 858 HB2 SER 110 HB2 SER 110 5.506 36.194 -9.744 859 HB3 SER 110 HB3 SER 110 6.574 35.328 -8.647 860 HG SER 110 HG SER 110 3.986 36.288 -8.272 861 H ILE 111 H ILE 111 8.935 36.513 -8.315 862 HA ILE 111 HA ILE 111 9.941 38.237 -10.467 863 HB ILE 111 HB ILE 111 11.405 36.343 -8.608 864 HG12 ILE 111 HG12 ILE 111 11.270 39.377 -8.610 865 HG13 ILE 111 HG13 ILE 111 10.322 38.349 -7.533 866 HG21 ILE 111 HG21 ILE 111 12.634 36.645 -10.690 867 HG22 ILE 111 HG22 ILE 111 13.415 37.602 -9.433 868 HG23 ILE 111 HG23 ILE 111 12.383 38.389 -10.627 869 HD11 ILE 111 HD11 ILE 111 12.505 37.321 -6.755 870 HD12 ILE 111 HD12 ILE 111 12.288 39.015 -6.315 871 HD13 ILE 111 HD13 ILE 111 13.340 38.582 -7.663 872 H ALA 112 H ALA 112 10.830 34.895 -9.673 873 HA ALA 112 HA ALA 112 11.157 34.148 -12.404 874 HB1 ALA 112 HB1 ALA 112 11.647 31.960 -11.542 875 HB2 ALA 112 HB2 ALA 112 10.849 32.322 -10.013 876 HB3 ALA 112 HB3 ALA 112 12.368 33.119 -10.425 877 H GLY 113 H GLY 113 9.950 31.665 -12.582 878 HA2 GLY 113 HA2 GLY 113 7.224 32.506 -12.984 879 HA3 GLY 113 HA3 GLY 113 7.870 30.891 -13.334 880 H PHE 114 H PHE 114 6.388 32.946 -11.039 881 HA PHE 114 HA PHE 114 6.716 31.928 -8.584 882 HB2 PHE 114 HB2 PHE 114 5.107 33.726 -9.178 883 HB3 PHE 114 HB3 PHE 114 3.986 32.498 -9.766 884 HD1 PHE 114 HD2 PHE 114 5.713 33.823 -6.764 885 HD2 PHE 114 HD1 PHE 114 2.731 31.105 -8.245 886 HE1 PHE 114 HE2 PHE 114 4.885 33.473 -4.454 887 HE2 PHE 114 HE1 PHE 114 1.903 30.756 -5.934 888 HZ PHE 114 HZ PHE 114 2.980 31.940 -4.038 Start of MODEL 2 1 H1 GLU 1 H1 GLU 1 2.727 43.614 -8.885 2 H2 GLU 1 H2 GLU 1 2.773 42.760 -7.418 3 H3 GLU 1 H3 GLU 1 2.178 44.350 -7.459 4 HA GLU 1 HA GLU 1 0.938 41.927 -8.633 5 HB2 GLU 1 HB2 GLU 1 0.608 42.315 -6.198 6 HB3 GLU 1 HB3 GLU 1 -0.032 43.918 -6.557 7 HG2 GLU 1 HG2 GLU 1 -1.819 42.870 -7.936 8 HG3 GLU 1 HG3 GLU 1 -1.205 41.280 -7.491 9 H ALA 2 H ALA 2 -0.042 42.279 -10.513 10 HA ALA 2 HA ALA 2 -0.298 44.838 -11.708 11 HB1 ALA 2 HB1 ALA 2 -1.663 42.229 -12.418 12 HB2 ALA 2 HB2 ALA 2 -0.105 42.780 -13.034 13 HB3 ALA 2 HB3 ALA 2 -1.578 43.656 -13.451 14 H GLU 3 H GLU 3 -2.100 46.131 -12.052 15 HA GLU 3 HA GLU 3 -3.995 46.283 -9.966 16 HB2 GLU 3 HB2 GLU 3 -4.998 48.071 -11.218 17 HB3 GLU 3 HB3 GLU 3 -3.252 48.190 -11.422 18 HG2 GLU 3 HG2 GLU 3 -3.475 46.929 -13.580 19 HG3 GLU 3 HG3 GLU 3 -5.226 46.994 -13.389 20 H ALA 4 H ALA 4 -3.983 44.554 -12.978 21 HA ALA 4 HA ALA 4 -6.783 44.181 -13.248 22 HB1 ALA 4 HB1 ALA 4 -5.196 43.807 -15.106 23 HB2 ALA 4 HB2 ALA 4 -6.198 42.386 -14.810 24 HB3 ALA 4 HB3 ALA 4 -4.529 42.422 -14.241 25 H GLN 5 H GLN 5 -4.624 43.057 -10.981 26 HA GLN 5 HA GLN 5 -5.341 40.444 -10.412 27 HB2 GLN 5 HB2 GLN 5 -3.565 41.585 -9.229 28 HB3 GLN 5 HB3 GLN 5 -4.714 42.743 -8.560 29 HG2 GLN 5 HG2 GLN 5 -5.378 39.906 -8.043 30 HG3 GLN 5 HG3 GLN 5 -3.892 40.459 -7.276 31 HE21 GLN 5 HE21 GLN 5 -7.334 40.519 -7.049 32 HE22 GLN 5 HE22 GLN 5 -7.446 41.646 -5.784 33 H GLU 6 H GLU 6 -7.045 43.448 -9.712 34 HA GLU 6 HA GLU 6 -8.925 42.630 -7.863 35 HB2 GLU 6 HB2 GLU 6 -10.320 44.441 -8.669 36 HB3 GLU 6 HB3 GLU 6 -8.633 44.956 -8.709 37 HG2 GLU 6 HG2 GLU 6 -8.577 44.260 -11.143 38 HG3 GLU 6 HG3 GLU 6 -10.320 44.025 -11.047 39 H GLU 7 H GLU 7 -8.917 42.096 -11.365 40 HA GLU 7 HA GLU 7 -11.518 41.139 -11.709 41 HB2 GLU 7 HB2 GLU 7 -9.933 41.576 -13.574 42 HB3 GLU 7 HB3 GLU 7 -8.995 40.167 -13.086 43 HG2 GLU 7 HG2 GLU 7 -11.945 39.943 -13.703 44 HG3 GLU 7 HG3 GLU 7 -10.741 39.860 -14.982 45 H CYS 8 H CYS 8 -8.567 39.567 -10.627 46 HA CYS 8 HA CYS 8 -9.571 36.942 -10.522 47 HB2 CYS 8 HB2 CYS 8 -7.360 38.158 -8.859 48 HB3 CYS 8 HB3 CYS 8 -7.612 36.443 -9.170 49 H ARG 9 H ARG 9 -9.186 39.400 -7.962 50 HA ARG 9 HA ARG 9 -10.193 37.924 -5.826 51 HB2 ARG 9 HB2 ARG 9 -9.126 40.170 -5.644 52 HB3 ARG 9 HB3 ARG 9 -10.594 40.887 -6.309 53 HG2 ARG 9 HG2 ARG 9 -11.898 39.911 -4.429 54 HG3 ARG 9 HG3 ARG 9 -10.402 39.267 -3.750 55 HD2 ARG 9 HD2 ARG 9 -9.500 41.592 -3.640 56 HD3 ARG 9 HD3 ARG 9 -11.057 42.192 -4.206 57 HE ARG 9 HE ARG 9 -11.343 40.524 -1.891 58 HH11 ARG 9 HH21 ARG 9 -10.439 43.683 -2.997 59 HH12 ARG 9 HH22 ARG 9 -10.856 44.470 -1.513 60 HH21 ARG 9 HH11 ARG 9 -11.890 41.555 0.053 61 HH22 ARG 9 HH12 ARG 9 -11.678 43.267 0.212 62 H GLU 10 H GLU 10 -11.949 40.066 -8.073 63 HA GLU 10 HA GLU 10 -14.528 39.620 -7.016 64 HB2 GLU 10 HB2 GLU 10 -14.032 41.464 -8.558 65 HB3 GLU 10 HB3 GLU 10 -13.699 40.310 -9.848 66 HG2 GLU 10 HG2 GLU 10 -16.332 40.092 -8.452 67 HG3 GLU 10 HG3 GLU 10 -16.109 41.445 -9.558 68 H GLN 11 H GLN 11 -12.677 37.995 -9.543 69 HA GLN 11 HA GLN 11 -14.634 36.245 -10.499 70 HB2 GLN 11 HB2 GLN 11 -12.347 36.688 -11.478 71 HB3 GLN 11 HB3 GLN 11 -11.688 35.616 -10.245 72 HG2 GLN 11 HG2 GLN 11 -13.080 33.782 -11.061 73 HG3 GLN 11 HG3 GLN 11 -13.820 34.844 -12.256 74 HE21 GLN 11 HE21 GLN 11 -10.604 35.781 -12.023 75 HE22 GLN 11 HE22 GLN 11 -9.966 34.842 -13.284 76 H MET 12 H MET 12 -12.414 35.923 -7.750 77 HA MET 12 HA MET 12 -12.846 33.255 -7.102 78 HB2 MET 12 HB2 MET 12 -12.284 35.631 -5.330 79 HB3 MET 12 HB3 MET 12 -12.322 33.975 -4.734 80 HG2 MET 12 HG2 MET 12 -10.611 33.389 -6.498 81 HG3 MET 12 HG3 MET 12 -10.476 35.111 -6.848 82 HE1 MET 12 HE1 MET 12 -10.162 32.258 -4.564 83 HE2 MET 12 HE2 MET 12 -10.878 33.187 -3.249 84 HE3 MET 12 HE3 MET 12 -9.172 32.757 -3.188 85 H GLN 13 H GLN 13 -14.805 36.094 -6.188 86 HA GLN 13 HA GLN 13 -16.524 34.790 -4.392 87 HB2 GLN 13 HB2 GLN 13 -16.883 37.188 -6.175 88 HB3 GLN 13 HB3 GLN 13 -18.208 36.586 -5.186 89 HG2 GLN 13 HG2 GLN 13 -17.108 38.254 -3.874 90 HG3 GLN 13 HG3 GLN 13 -16.628 36.702 -3.197 91 HE21 GLN 13 HE21 GLN 13 -15.476 39.543 -4.918 92 HE22 GLN 13 HE22 GLN 13 -13.832 39.119 -4.892 93 H ARG 14 H ARG 14 -16.830 35.253 -7.898 94 HA ARG 14 HA ARG 14 -19.290 33.946 -8.248 95 HB2 ARG 14 HB2 ARG 14 -18.051 35.373 -9.957 96 HB3 ARG 14 HB3 ARG 14 -17.000 33.987 -10.229 97 HG2 ARG 14 HG2 ARG 14 -18.564 33.472 -11.819 98 HG3 ARG 14 HG3 ARG 14 -19.416 32.776 -10.441 99 HD2 ARG 14 HD2 ARG 14 -20.973 34.198 -11.618 100 HD3 ARG 14 HD3 ARG 14 -20.545 35.003 -10.110 101 HE ARG 14 HE ARG 14 -18.897 35.762 -12.374 102 HH11 ARG 14 HH21 ARG 14 -21.794 36.347 -10.560 103 HH12 ARG 14 HH22 ARG 14 -21.933 37.999 -11.060 104 HH21 ARG 14 HH11 ARG 14 -19.080 37.924 -13.027 105 HH22 ARG 14 HH12 ARG 14 -20.399 38.891 -12.454 106 H GLN 15 H GLN 15 -15.938 32.883 -8.349 107 HA GLN 15 HA GLN 15 -16.608 30.138 -8.798 108 HB2 GLN 15 HB2 GLN 15 -14.096 31.703 -8.327 109 HB3 GLN 15 HB3 GLN 15 -14.064 29.951 -8.151 110 HG2 GLN 15 HG2 GLN 15 -13.492 30.782 -10.474 111 HG3 GLN 15 HG3 GLN 15 -14.819 29.630 -10.415 112 HE21 GLN 15 HE21 GLN 15 -17.036 30.487 -10.712 113 HE22 GLN 15 HE22 GLN 15 -17.275 31.998 -11.446 114 H GLN 16 H GLN 16 -18.109 30.045 -7.033 115 HA GLN 16 HA GLN 16 -17.116 30.099 -4.311 116 HB2 GLN 16 HB2 GLN 16 -19.784 29.216 -5.443 117 HB3 GLN 16 HB3 GLN 16 -19.420 29.430 -3.728 118 HG2 GLN 16 HG2 GLN 16 -18.861 31.800 -4.152 119 HG3 GLN 16 HG3 GLN 16 -19.252 31.580 -5.854 120 HE21 GLN 16 HE21 GLN 16 -20.701 33.523 -4.655 121 HE22 GLN 16 HE22 GLN 16 -22.281 33.009 -4.320 122 H MET 17 H MET 17 -15.674 28.331 -5.912 123 HA MET 17 HA MET 17 -16.552 25.646 -5.739 124 HB2 MET 17 HB2 MET 17 -14.654 25.197 -6.859 125 HB3 MET 17 HB3 MET 17 -14.437 26.941 -6.921 126 HG2 MET 17 HG2 MET 17 -13.375 26.516 -4.497 127 HG3 MET 17 HG3 MET 17 -13.081 24.925 -5.190 128 HE1 MET 17 HE1 MET 17 -12.156 28.838 -7.209 129 HE2 MET 17 HE2 MET 17 -11.777 28.873 -5.489 130 HE3 MET 17 HE3 MET 17 -13.398 28.434 -6.017 131 H LEU 18 H LEU 18 -15.277 27.810 -3.448 132 HA LEU 18 HA LEU 18 -13.972 26.084 -1.670 133 HB2 LEU 18 HB2 LEU 18 -15.453 28.655 -1.132 134 HB3 LEU 18 HB3 LEU 18 -14.372 27.861 0.008 135 HG LEU 18 HG LEU 18 -12.594 27.958 -1.824 136 HD11 LEU 18 HD11 LEU 18 -13.202 30.082 -3.333 137 HD12 LEU 18 HD12 LEU 18 -14.833 29.454 -3.099 138 HD13 LEU 18 HD13 LEU 18 -13.592 28.438 -3.833 139 HD21 LEU 18 HD21 LEU 18 -12.482 29.464 0.076 140 HD22 LEU 18 HD22 LEU 18 -13.717 30.509 -0.627 141 HD23 LEU 18 HD23 LEU 18 -12.126 30.395 -1.379 142 H SER 19 H SER 19 -17.397 26.702 -2.168 143 HA SER 19 HA SER 19 -18.314 25.651 0.310 144 HB2 SER 19 HB2 SER 19 -19.711 25.555 -2.378 145 HB3 SER 19 HB3 SER 19 -20.470 25.419 -0.795 146 HG SER 19 HG SER 19 -19.216 27.588 -0.551 147 H HIS 20 H HIS 20 -17.796 24.229 -2.889 148 HA HIS 20 HA HIS 20 -18.405 21.541 -2.093 149 HB2 HIS 20 HB2 HIS 20 -16.649 22.062 -4.444 150 HB3 HIS 20 HB3 HIS 20 -18.042 20.991 -4.297 151 HD2 HIS 20 HD2 HIS 20 -20.415 23.080 -3.591 152 HE1 HIS 20 HE1 HIS 20 -19.054 25.360 -6.872 153 HE2 HIS 20 HE2 HIS 20 -20.990 24.994 -5.271 154 H CYS 21 H CYS 21 -15.544 23.553 -2.362 155 HA CYS 21 HA CYS 21 -13.605 21.530 -2.016 156 HB2 CYS 21 HB2 CYS 21 -13.525 24.246 -2.501 157 HB3 CYS 21 HB3 CYS 21 -12.939 24.150 -0.839 158 H ARG 22 H ARG 22 -15.351 23.612 0.266 159 HA ARG 22 HA ARG 22 -14.143 22.737 2.651 160 HB2 ARG 22 HB2 ARG 22 -15.738 24.684 2.426 161 HB3 ARG 22 HB3 ARG 22 -17.052 23.516 2.286 162 HG2 ARG 22 HG2 ARG 22 -16.987 24.121 4.592 163 HG3 ARG 22 HG3 ARG 22 -16.222 22.534 4.503 164 HD2 ARG 22 HD2 ARG 22 -14.314 24.714 4.093 165 HD3 ARG 22 HD3 ARG 22 -15.121 24.816 5.654 166 HE ARG 22 HE ARG 22 -14.146 22.167 5.032 167 HH11 ARG 22 HH21 ARG 22 -13.402 25.287 6.349 168 HH12 ARG 22 HH22 ARG 22 -12.093 24.710 7.326 169 HH21 ARG 22 HH11 ARG 22 -12.433 21.416 6.310 170 HH22 ARG 22 HH12 ARG 22 -11.545 22.523 7.302 171 H MET 23 H MET 23 -16.930 21.559 0.798 172 HA MET 23 HA MET 23 -17.693 19.442 2.477 173 HB2 MET 23 HB2 MET 23 -18.947 20.244 0.438 174 HB3 MET 23 HB3 MET 23 -17.749 19.413 -0.553 175 HG2 MET 23 HG2 MET 23 -18.299 17.285 0.639 176 HG3 MET 23 HG3 MET 23 -19.573 18.140 1.509 177 HE1 MET 23 HE1 MET 23 -18.416 18.307 -2.419 178 HE2 MET 23 HE2 MET 23 -19.340 16.870 -2.848 179 HE3 MET 23 HE3 MET 23 -18.124 16.779 -1.577 180 H TYR 24 H TYR 24 -15.195 19.730 0.003 181 HA TYR 24 HA TYR 24 -14.362 17.045 -0.090 182 HB2 TYR 24 HB2 TYR 24 -13.108 17.955 -1.711 183 HB3 TYR 24 HB3 TYR 24 -13.461 19.569 -1.121 184 HD1 TYR 24 HD2 TYR 24 -11.397 16.645 0.068 185 HD2 TYR 24 HD1 TYR 24 -11.580 20.863 -0.718 186 HE1 TYR 24 HE2 TYR 24 -9.047 16.887 0.814 187 HE2 TYR 24 HE1 TYR 24 -9.229 21.102 0.023 188 HH TYR 24 HH TYR 24 -7.111 18.980 0.118 189 H MET 25 H MET 25 -13.409 19.741 2.022 190 HA MET 25 HA MET 25 -11.323 18.494 3.409 191 HB2 MET 25 HB2 MET 25 -13.408 20.359 4.570 192 HB3 MET 25 HB3 MET 25 -11.800 20.056 5.224 193 HG2 MET 25 HG2 MET 25 -12.307 21.205 2.464 194 HG3 MET 25 HG3 MET 25 -11.970 22.184 3.888 195 HE1 MET 25 HE1 MET 25 -8.451 21.599 4.862 196 HE2 MET 25 HE2 MET 25 -9.724 20.582 5.530 197 HE3 MET 25 HE3 MET 25 -10.053 22.278 5.185 198 H ARG 26 H ARG 26 -14.785 18.668 4.254 199 HA ARG 26 HA ARG 26 -14.688 16.892 6.450 200 HB2 ARG 26 HB2 ARG 26 -16.614 18.398 5.874 201 HB3 ARG 26 HB3 ARG 26 -17.005 17.313 4.541 202 HG2 ARG 26 HG2 ARG 26 -17.218 15.440 6.173 203 HG3 ARG 26 HG3 ARG 26 -16.932 16.582 7.485 204 HD2 ARG 26 HD2 ARG 26 -19.206 16.741 5.485 205 HD3 ARG 26 HD3 ARG 26 -19.349 16.175 7.145 206 HE ARG 26 HE ARG 26 -19.031 18.404 7.901 207 HH11 ARG 26 HH21 ARG 26 -18.917 18.092 4.445 208 HH12 ARG 26 HH22 ARG 26 -19.128 19.786 4.155 209 HH21 ARG 26 HH11 ARG 26 -19.303 20.616 7.514 210 HH22 ARG 26 HH12 ARG 26 -19.346 21.212 5.888 211 H GLN 27 H GLN 27 -15.134 16.423 2.997 212 HA GLN 27 HA GLN 27 -15.729 13.699 2.989 213 HB2 GLN 27 HB2 GLN 27 -15.987 15.081 0.985 214 HB3 GLN 27 HB3 GLN 27 -14.248 15.340 0.919 215 HG2 GLN 27 HG2 GLN 27 -15.102 13.538 -0.635 216 HG3 GLN 27 HG3 GLN 27 -13.831 13.018 0.468 217 HE21 GLN 27 HE21 GLN 27 -14.785 12.142 2.677 218 HE22 GLN 27 HE22 GLN 27 -16.131 11.091 2.511 219 H GLN 28 H GLN 28 -12.686 15.461 3.201 220 HA GLN 28 HA GLN 28 -10.988 13.247 2.799 221 HB2 GLN 28 HB2 GLN 28 -10.238 15.595 2.765 222 HB3 GLN 28 HB3 GLN 28 -10.592 15.684 4.483 223 HG2 GLN 28 HG2 GLN 28 -8.729 13.572 3.418 224 HG3 GLN 28 HG3 GLN 28 -8.132 15.192 3.758 225 HE21 GLN 28 HE21 GLN 28 -7.791 12.417 5.165 226 HE22 GLN 28 HE22 GLN 28 -8.095 12.777 6.796 227 H MET 29 H MET 29 -12.598 14.627 5.632 228 HA MET 29 HA MET 29 -11.357 13.040 7.597 229 HB2 MET 29 HB2 MET 29 -14.085 14.321 7.475 230 HB3 MET 29 HB3 MET 29 -13.546 13.408 8.878 231 HG2 MET 29 HG2 MET 29 -12.254 15.880 7.700 232 HG3 MET 29 HG3 MET 29 -13.020 15.728 9.281 233 HE1 MET 29 HE1 MET 29 -11.928 12.598 9.831 234 HE2 MET 29 HE2 MET 29 -12.336 13.880 10.967 235 HE3 MET 29 HE3 MET 29 -10.758 13.103 11.054 236 H GLU 30 H GLU 30 -14.363 12.441 5.738 237 HA GLU 30 HA GLU 30 -14.829 9.884 6.923 238 HB2 GLU 30 HB2 GLU 30 -15.772 11.125 4.336 239 HB3 GLU 30 HB3 GLU 30 -16.259 9.511 4.850 240 HG2 GLU 30 HG2 GLU 30 -17.981 10.795 5.744 241 HG3 GLU 30 HG3 GLU 30 -16.865 10.731 7.106 242 H GLU 31 H GLU 31 -13.361 10.871 3.848 243 HA GLU 31 HA GLU 31 -12.594 8.240 3.049 244 HB2 GLU 31 HB2 GLU 31 -11.741 10.979 2.106 245 HB3 GLU 31 HB3 GLU 31 -11.179 9.479 1.370 246 HG2 GLU 31 HG2 GLU 31 -13.515 8.819 0.922 247 HG3 GLU 31 HG3 GLU 31 -14.078 10.314 1.652 248 H SER 32 H SER 32 -11.411 10.114 5.517 249 HA SER 32 HA SER 32 -8.762 10.319 5.517 250 HB2 SER 32 HB2 SER 32 -8.722 9.639 7.895 251 HB3 SER 32 HB3 SER 32 -10.067 10.712 7.525 252 HG SER 32 HG SER 32 -11.053 8.407 7.072 253 H THR 33 H THR 33 -10.323 7.171 6.172 254 HA THR 33 HA THR 33 -7.976 5.659 6.376 255 HB THR 33 HB THR 33 -10.638 4.736 5.267 256 HG1 THR 33 HG1 THR 33 -9.648 5.044 7.899 257 HG21 THR 33 HG21 THR 33 -8.984 3.045 4.911 258 HG22 THR 33 HG22 THR 33 -9.859 2.573 6.367 259 HG23 THR 33 HG23 THR 33 -8.266 3.318 6.499 260 H TYR 34 H TYR 34 -9.861 6.592 3.549 261 HA TYR 34 HA TYR 34 -8.032 5.168 1.752 262 HB2 TYR 34 HB2 TYR 34 -10.614 6.622 1.153 263 HB3 TYR 34 HB3 TYR 34 -9.696 5.620 0.027 264 HD1 TYR 34 HD2 TYR 34 -9.421 3.163 0.481 265 HD2 TYR 34 HD1 TYR 34 -12.047 5.646 2.805 266 HE1 TYR 34 HE2 TYR 34 -10.572 1.142 1.341 267 HE2 TYR 34 HE1 TYR 34 -13.197 3.625 3.665 268 HH TYR 34 HH TYR 34 -12.034 0.724 3.698 269 H GLN 35 H GLN 35 -7.918 8.136 3.157 270 HA GLN 35 HA GLN 35 -7.815 10.150 1.409 271 HB2 GLN 35 HB2 GLN 35 -5.679 10.974 2.462 272 HB3 GLN 35 HB3 GLN 35 -7.035 10.670 3.541 273 HG2 GLN 35 HG2 GLN 35 -5.846 8.234 3.607 274 HG3 GLN 35 HG3 GLN 35 -4.435 9.246 3.303 275 HE21 GLN 35 HE21 GLN 35 -7.215 10.498 5.068 276 HE22 GLN 35 HE22 GLN 35 -6.474 10.550 6.575 277 H THR 36 H THR 36 -5.474 7.492 1.392 278 HA THR 36 HA THR 36 -3.636 8.656 -0.403 279 HB THR 36 HB THR 36 -4.350 5.719 -0.173 280 HG1 THR 36 HG1 THR 36 -2.745 7.443 1.372 281 HG21 THR 36 HG21 THR 36 -2.936 6.186 -2.090 282 HG22 THR 36 HG22 THR 36 -1.942 5.456 -0.830 283 HG23 THR 36 HG23 THR 36 -1.874 7.195 -1.109 284 H MET 37 H MET 37 -4.264 9.541 -2.244 285 HA MET 37 HA MET 37 -6.530 8.798 -3.756 286 HB2 MET 37 HB2 MET 37 -4.067 10.357 -4.575 287 HB3 MET 37 HB3 MET 37 -5.566 10.271 -5.501 288 HG2 MET 37 HG2 MET 37 -5.593 11.141 -2.610 289 HG3 MET 37 HG3 MET 37 -5.237 12.293 -3.899 290 HE1 MET 37 HE1 MET 37 -7.197 13.744 -4.848 291 HE2 MET 37 HE2 MET 37 -8.296 12.815 -5.866 292 HE3 MET 37 HE3 MET 37 -6.561 12.532 -5.969 293 HA PRO 38 HA PRO 38 -4.599 5.242 -5.713 294 HB2 PRO 38 HB2 PRO 38 -6.825 4.310 -6.954 295 HB3 PRO 38 HB3 PRO 38 -6.561 4.116 -5.210 296 HG2 PRO 38 HG2 PRO 38 -8.266 6.076 -6.659 297 HG3 PRO 38 HG3 PRO 38 -8.578 5.205 -5.149 298 HD2 PRO 38 HD2 PRO 38 -7.731 7.834 -5.260 299 HD3 PRO 38 HD3 PRO 38 -7.460 6.759 -3.868 300 H ARG 39 H ARG 39 -3.740 4.891 -7.748 301 HA ARG 39 HA ARG 39 -3.681 7.003 -9.625 302 HB2 ARG 39 HB2 ARG 39 -3.116 4.096 -10.195 303 HB3 ARG 39 HB3 ARG 39 -2.487 5.490 -11.066 304 HG2 ARG 39 HG2 ARG 39 -1.326 6.241 -8.988 305 HG3 ARG 39 HG3 ARG 39 -1.867 4.767 -8.185 306 HD2 ARG 39 HD2 ARG 39 -0.718 3.454 -10.010 307 HD3 ARG 39 HD3 ARG 39 -0.041 4.971 -10.593 308 HE ARG 39 HE ARG 39 1.446 4.934 -8.809 309 HH11 ARG 39 HH21 ARG 39 -1.170 2.722 -8.274 310 HH12 ARG 39 HH22 ARG 39 -0.463 2.018 -6.859 311 HH21 ARG 39 HH11 ARG 39 2.371 4.011 -6.956 312 HH22 ARG 39 HH12 ARG 39 1.539 2.747 -6.115 313 H ARG 40 H ARG 40 -5.481 3.961 -9.483 314 HA ARG 40 HA ARG 40 -6.709 4.281 -12.036 315 HB2 ARG 40 HB2 ARG 40 -7.362 2.541 -9.654 316 HB3 ARG 40 HB3 ARG 40 -8.279 2.494 -11.159 317 HG2 ARG 40 HG2 ARG 40 -5.275 2.184 -11.114 318 HG3 ARG 40 HG3 ARG 40 -6.355 0.803 -10.924 319 HD2 ARG 40 HD2 ARG 40 -6.400 2.729 -13.266 320 HD3 ARG 40 HD3 ARG 40 -5.657 1.133 -13.290 321 HE ARG 40 HE ARG 40 -8.493 1.727 -13.411 322 HH11 ARG 40 HH21 ARG 40 -6.038 -0.603 -12.658 323 HH12 ARG 40 HH22 ARG 40 -7.076 -1.970 -12.890 324 HH21 ARG 40 HH11 ARG 40 -9.851 -0.063 -13.712 325 HH22 ARG 40 HH12 ARG 40 -9.231 -1.665 -13.485 326 H GLY 41 H GLY 41 -7.710 6.114 -12.291 327 HA2 GLY 41 HA2 GLY 41 -9.313 7.771 -12.117 328 HA3 GLY 41 HA3 GLY 41 -10.350 6.493 -11.492 329 H MET 42 H MET 42 -8.076 9.034 -10.619 330 HA MET 42 HA MET 42 -8.032 8.763 -7.842 331 HB2 MET 42 HB2 MET 42 -7.931 11.259 -9.553 332 HB3 MET 42 HB3 MET 42 -7.581 11.232 -7.825 333 HG2 MET 42 HG2 MET 42 -5.800 9.537 -8.246 334 HG3 MET 42 HG3 MET 42 -6.108 9.683 -9.977 335 HE1 MET 42 HE1 MET 42 -3.308 10.032 -8.782 336 HE2 MET 42 HE2 MET 42 -2.714 11.474 -9.602 337 HE3 MET 42 HE3 MET 42 -3.659 10.287 -10.497 338 H GLU 43 H GLU 43 -9.043 10.556 -6.368 339 HA GLU 43 HA GLU 43 -11.852 10.096 -6.317 340 HB2 GLU 43 HB2 GLU 43 -10.457 10.465 -4.290 341 HB3 GLU 43 HB3 GLU 43 -10.241 12.144 -4.779 342 HG2 GLU 43 HG2 GLU 43 -12.044 12.198 -3.237 343 HG3 GLU 43 HG3 GLU 43 -12.805 12.298 -4.822 344 HA PRO 44 HA PRO 44 -12.797 13.399 -9.213 345 HB2 PRO 44 HB2 PRO 44 -15.527 13.055 -9.118 346 HB3 PRO 44 HB3 PRO 44 -14.437 12.076 -10.117 347 HG2 PRO 44 HG2 PRO 44 -15.696 11.437 -7.504 348 HG3 PRO 44 HG3 PRO 44 -15.373 10.386 -8.893 349 HD2 PRO 44 HD2 PRO 44 -13.824 10.396 -6.636 350 HD3 PRO 44 HD3 PRO 44 -13.196 9.968 -8.241 351 H HIS 45 H HIS 45 -14.256 12.967 -6.038 352 HA HIS 45 HA HIS 45 -15.636 15.365 -5.730 353 HB2 HIS 45 HB2 HIS 45 -14.007 13.888 -3.642 354 HB3 HIS 45 HB3 HIS 45 -15.264 15.079 -3.313 355 HD2 HIS 45 HD2 HIS 45 -17.042 13.449 -5.975 356 HE1 HIS 45 HE1 HIS 45 -17.507 10.650 -2.848 357 HE2 HIS 45 HE2 HIS 45 -18.370 11.368 -5.126 358 H MET 46 H MET 46 -12.219 14.638 -5.115 359 HA MET 46 HA MET 46 -11.479 17.227 -4.224 360 HB2 MET 46 HB2 MET 46 -9.730 15.162 -5.584 361 HB3 MET 46 HB3 MET 46 -9.200 16.465 -4.525 362 HG2 MET 46 HG2 MET 46 -10.852 14.044 -3.774 363 HG3 MET 46 HG3 MET 46 -9.240 14.463 -3.198 364 HE1 MET 46 HE1 MET 46 -11.284 13.551 -1.429 365 HE2 MET 46 HE2 MET 46 -12.781 14.300 -1.978 366 HE3 MET 46 HE3 MET 46 -12.128 14.712 -0.395 367 H SER 47 H SER 47 -11.473 15.653 -7.382 368 HA SER 47 HA SER 47 -10.100 17.577 -8.870 369 HB2 SER 47 HB2 SER 47 -12.376 15.832 -9.824 370 HB3 SER 47 HB3 SER 47 -11.130 16.577 -10.822 371 HG SER 47 HG SER 47 -10.558 14.819 -8.673 372 H GLU 48 H GLU 48 -13.476 17.479 -7.852 373 HA GLU 48 HA GLU 48 -14.559 19.376 -9.578 374 HB2 GLU 48 HB2 GLU 48 -15.713 17.937 -7.761 375 HB3 GLU 48 HB3 GLU 48 -15.336 19.273 -6.673 376 HG2 GLU 48 HG2 GLU 48 -16.447 20.250 -9.178 377 HG3 GLU 48 HG3 GLU 48 -17.536 19.096 -8.413 378 H CYS 49 H CYS 49 -12.828 19.878 -6.505 379 HA CYS 49 HA CYS 49 -13.181 22.700 -6.447 380 HB2 CYS 49 HB2 CYS 49 -12.427 21.162 -4.525 381 HB3 CYS 49 HB3 CYS 49 -10.820 21.250 -5.242 382 H CYS 50 H CYS 50 -10.494 20.640 -7.545 383 HA CYS 50 HA CYS 50 -8.713 22.603 -8.398 384 HB2 CYS 50 HB2 CYS 50 -8.314 20.104 -8.264 385 HB3 CYS 50 HB3 CYS 50 -9.146 19.977 -9.816 386 H GLU 51 H GLU 51 -11.518 21.259 -10.060 387 HA GLU 51 HA GLU 51 -10.994 22.165 -12.643 388 HB2 GLU 51 HB2 GLU 51 -12.838 20.607 -11.965 389 HB3 GLU 51 HB3 GLU 51 -13.724 22.005 -11.361 390 HG2 GLU 51 HG2 GLU 51 -14.483 21.549 -13.618 391 HG3 GLU 51 HG3 GLU 51 -13.546 23.039 -13.640 392 H GLN 52 H GLN 52 -12.486 23.895 -9.921 393 HA GLN 52 HA GLN 52 -13.400 26.131 -11.336 394 HB2 GLN 52 HB2 GLN 52 -13.748 25.466 -8.852 395 HB3 GLN 52 HB3 GLN 52 -12.271 26.389 -8.571 396 HG2 GLN 52 HG2 GLN 52 -13.897 28.043 -8.337 397 HG3 GLN 52 HG3 GLN 52 -13.457 28.213 -10.033 398 HE21 GLN 52 HE21 GLN 52 -15.119 27.928 -11.566 399 HE22 GLN 52 HE22 GLN 52 -16.673 27.355 -11.187 400 H LEU 53 H LEU 53 -10.264 25.696 -9.663 401 HA LEU 53 HA LEU 53 -9.116 28.188 -10.339 402 HB2 LEU 53 HB2 LEU 53 -7.624 25.555 -10.160 403 HB3 LEU 53 HB3 LEU 53 -6.976 27.161 -9.879 404 HG LEU 53 HG LEU 53 -7.319 26.308 -7.708 405 HD11 LEU 53 HD11 LEU 53 -8.464 28.555 -8.196 406 HD12 LEU 53 HD12 LEU 53 -8.996 27.700 -6.750 407 HD13 LEU 53 HD13 LEU 53 -9.980 27.654 -8.212 408 HD21 LEU 53 HD21 LEU 53 -10.119 25.489 -7.930 409 HD22 LEU 53 HD22 LEU 53 -8.743 24.602 -7.277 410 HD23 LEU 53 HD23 LEU 53 -9.063 24.582 -9.008 411 H GLU 54 H GLU 54 -8.971 25.044 -11.791 412 HA GLU 54 HA GLU 54 -7.416 25.502 -14.024 413 HB2 GLU 54 HB2 GLU 54 -7.906 23.318 -13.350 414 HB3 GLU 54 HB3 GLU 54 -9.644 23.602 -13.337 415 HG2 GLU 54 HG2 GLU 54 -9.533 23.914 -15.842 416 HG3 GLU 54 HG3 GLU 54 -7.832 23.461 -15.779 417 H GLY 55 H GLY 55 -10.808 26.210 -13.443 418 HA2 GLY 55 HA2 GLY 55 -11.268 26.993 -16.227 419 HA3 GLY 55 HA3 GLY 55 -12.467 26.969 -14.934 420 H MET 56 H MET 56 -10.229 28.354 -13.285 421 HA MET 56 HA MET 56 -11.117 31.068 -13.840 422 HB2 MET 56 HB2 MET 56 -11.086 30.521 -11.537 423 HB3 MET 56 HB3 MET 56 -9.495 29.775 -11.649 424 HG2 MET 56 HG2 MET 56 -8.460 31.947 -12.055 425 HG3 MET 56 HG3 MET 56 -10.037 32.729 -12.068 426 HE1 MET 56 HE1 MET 56 -11.289 33.372 -9.162 427 HE2 MET 56 HE2 MET 56 -11.517 31.651 -8.861 428 HE3 MET 56 HE3 MET 56 -11.682 32.281 -10.498 429 H ASP 57 H ASP 57 -9.656 32.848 -14.175 430 HA ASP 57 HA ASP 57 -7.760 32.514 -16.166 431 HB2 ASP 57 HB2 ASP 57 -7.853 34.660 -14.034 432 HB3 ASP 57 HB3 ASP 57 -6.922 34.755 -15.526 433 H GLU 58 H GLU 58 -5.600 32.097 -16.248 434 HA GLU 58 HA GLU 58 -4.387 30.542 -14.306 435 HB2 GLU 58 HB2 GLU 58 -3.569 30.553 -16.572 436 HB3 GLU 58 HB3 GLU 58 -3.122 32.256 -16.447 437 HG2 GLU 58 HG2 GLU 58 -1.526 31.704 -14.646 438 HG3 GLU 58 HG3 GLU 58 -1.955 30.002 -14.796 439 H SER 59 H SER 59 -3.677 33.973 -14.987 440 HA SER 59 HA SER 59 -1.839 34.386 -12.928 441 HB2 SER 59 HB2 SER 59 -2.333 35.972 -14.801 442 HB3 SER 59 HB3 SER 59 -3.830 36.407 -13.982 443 HG SER 59 HG SER 59 -2.430 36.890 -12.132 444 H CYS 60 H CYS 60 -5.309 34.257 -12.881 445 HA CYS 60 HA CYS 60 -5.655 35.447 -10.295 446 HB2 CYS 60 HB2 CYS 60 -7.521 33.758 -11.965 447 HB3 CYS 60 HB3 CYS 60 -7.978 34.610 -10.490 448 H ARG 61 H ARG 61 -4.917 32.250 -11.418 449 HA ARG 61 HA ARG 61 -5.917 30.723 -9.289 450 HB2 ARG 61 HB2 ARG 61 -3.453 30.267 -10.983 451 HB3 ARG 61 HB3 ARG 61 -4.188 29.062 -9.927 452 HG2 ARG 61 HG2 ARG 61 -6.315 29.280 -11.213 453 HG3 ARG 61 HG3 ARG 61 -5.502 30.397 -12.311 454 HD2 ARG 61 HD2 ARG 61 -4.786 27.499 -11.812 455 HD3 ARG 61 HD3 ARG 61 -5.432 28.187 -13.299 456 HE ARG 61 HE ARG 61 -3.256 29.566 -13.266 457 HH11 ARG 61 HH21 ARG 61 -3.599 26.340 -12.028 458 HH12 ARG 61 HH22 ARG 61 -1.927 25.947 -12.237 459 HH21 ARG 61 HH11 ARG 61 -1.072 29.042 -13.529 460 HH22 ARG 61 HH12 ARG 61 -0.503 27.467 -13.084 461 H CYS 62 H CYS 62 -2.882 32.531 -9.610 462 HA CYS 62 HA CYS 62 -1.519 31.514 -7.386 463 HB2 CYS 62 HB2 CYS 62 -1.497 34.381 -8.361 464 HB3 CYS 62 HB3 CYS 62 -0.241 33.583 -7.420 465 H GLU 63 H GLU 63 -3.434 34.518 -7.543 466 HA GLU 63 HA GLU 63 -3.523 34.971 -4.757 467 HB2 GLU 63 HB2 GLU 63 -4.000 36.705 -6.466 468 HB3 GLU 63 HB3 GLU 63 -5.498 35.868 -6.870 469 HG2 GLU 63 HG2 GLU 63 -6.249 36.138 -4.507 470 HG3 GLU 63 HG3 GLU 63 -4.779 37.048 -4.168 471 H GLY 64 H GLY 64 -5.641 33.219 -6.956 472 HA2 GLY 64 HA2 GLY 64 -7.874 32.839 -5.365 473 HA3 GLY 64 HA3 GLY 64 -7.334 31.716 -6.601 474 H LEU 65 H LEU 65 -5.278 30.404 -5.783 475 HA LEU 65 HA LEU 65 -6.168 28.666 -3.802 476 HB2 LEU 65 HB2 LEU 65 -3.351 29.173 -4.775 477 HB3 LEU 65 HB3 LEU 65 -3.827 27.804 -3.767 478 HG LEU 65 HG LEU 65 -4.917 28.451 -6.526 479 HD11 LEU 65 HD11 LEU 65 -3.189 26.161 -5.533 480 HD12 LEU 65 HD12 LEU 65 -2.624 27.512 -6.516 481 HD13 LEU 65 HD13 LEU 65 -3.787 26.364 -7.179 482 HD21 LEU 65 HD21 LEU 65 -5.796 25.960 -6.021 483 HD22 LEU 65 HD22 LEU 65 -6.733 27.385 -5.576 484 HD23 LEU 65 HD23 LEU 65 -5.753 26.562 -4.364 485 H ARG 66 H ARG 66 -3.729 31.263 -3.478 486 HA ARG 66 HA ARG 66 -3.131 30.831 -0.776 487 HB2 ARG 66 HB2 ARG 66 -3.118 33.389 -2.392 488 HB3 ARG 66 HB3 ARG 66 -2.424 33.232 -0.777 489 HG2 ARG 66 HG2 ARG 66 -0.947 31.415 -1.605 490 HG3 ARG 66 HG3 ARG 66 -1.614 31.630 -3.223 491 HD2 ARG 66 HD2 ARG 66 0.449 32.871 -3.129 492 HD3 ARG 66 HD3 ARG 66 -0.871 34.035 -3.124 493 HE ARG 66 HE ARG 66 -0.256 34.652 -0.969 494 HH11 ARG 66 HH21 ARG 66 1.227 31.647 -1.862 495 HH12 ARG 66 HH22 ARG 66 2.250 31.583 -0.465 496 HH21 ARG 66 HH11 ARG 66 1.083 34.567 0.858 497 HH22 ARG 66 HH12 ARG 66 2.168 33.233 1.072 498 H MET 67 H MET 67 -5.443 33.159 -2.185 499 HA MET 67 HA MET 67 -6.508 34.079 0.252 500 HB2 MET 67 HB2 MET 67 -6.956 35.392 -1.655 501 HB3 MET 67 HB3 MET 67 -7.566 34.013 -2.567 502 HG2 MET 67 HG2 MET 67 -9.531 33.867 -1.154 503 HG3 MET 67 HG3 MET 67 -8.901 35.117 -0.078 504 HE1 MET 67 HE1 MET 67 -9.172 38.353 -1.774 505 HE2 MET 67 HE2 MET 67 -7.744 37.438 -2.251 506 HE3 MET 67 HE3 MET 67 -8.358 37.305 -0.605 507 H MET 68 H MET 68 -7.624 31.530 -1.946 508 HA MET 68 HA MET 68 -9.948 30.832 -0.534 509 HB2 MET 68 HB2 MET 68 -9.800 30.080 -2.747 510 HB3 MET 68 HB3 MET 68 -8.196 29.394 -2.505 511 HG2 MET 68 HG2 MET 68 -9.042 27.565 -1.254 512 HG3 MET 68 HG3 MET 68 -10.607 28.346 -1.017 513 HE1 MET 68 HE1 MET 68 -8.441 28.071 -4.429 514 HE2 MET 68 HE2 MET 68 -8.890 26.404 -4.777 515 HE3 MET 68 HE3 MET 68 -8.090 26.793 -3.257 516 H MET 69 H MET 69 -6.621 29.584 -0.278 517 HA MET 69 HA MET 69 -7.053 27.416 1.391 518 HB2 MET 69 HB2 MET 69 -4.847 28.106 0.421 519 HB3 MET 69 HB3 MET 69 -4.754 29.372 1.645 520 HG2 MET 69 HG2 MET 69 -3.545 27.566 2.586 521 HG3 MET 69 HG3 MET 69 -5.124 27.478 3.364 522 HE1 MET 69 HE1 MET 69 -4.281 25.074 4.031 523 HE2 MET 69 HE2 MET 69 -5.203 23.816 3.211 524 HE3 MET 69 HE3 MET 69 -6.027 25.257 3.804 525 H ARG 70 H ARG 70 -6.296 30.747 2.439 526 HA ARG 70 HA ARG 70 -6.708 30.319 5.188 527 HB2 ARG 70 HB2 ARG 70 -5.545 32.289 4.200 528 HB3 ARG 70 HB3 ARG 70 -7.107 32.893 3.646 529 HG2 ARG 70 HG2 ARG 70 -7.915 32.922 5.991 530 HG3 ARG 70 HG3 ARG 70 -6.332 32.362 6.531 531 HD2 ARG 70 HD2 ARG 70 -5.308 34.387 5.485 532 HD3 ARG 70 HD3 ARG 70 -6.926 34.959 5.086 533 HE ARG 70 HE ARG 70 -6.844 34.401 7.844 534 HH11 ARG 70 HH21 ARG 70 -5.485 36.567 5.504 535 HH12 ARG 70 HH22 ARG 70 -5.290 37.872 6.625 536 HH21 ARG 70 HH11 ARG 70 -6.589 36.110 9.313 537 HH22 ARG 70 HH12 ARG 70 -5.915 37.614 8.779 538 H MET 71 H MET 71 -8.921 31.434 2.649 539 HA MET 71 HA MET 71 -11.131 31.989 4.305 540 HB2 MET 71 HB2 MET 71 -10.818 32.721 1.911 541 HB3 MET 71 HB3 MET 71 -11.237 31.080 1.425 542 HG2 MET 71 HG2 MET 71 -13.392 31.308 2.680 543 HG3 MET 71 HG3 MET 71 -12.979 32.990 3.012 544 HE1 MET 71 HE1 MET 71 -13.004 34.795 -0.243 545 HE2 MET 71 HE2 MET 71 -11.542 33.873 0.095 546 HE3 MET 71 HE3 MET 71 -12.408 34.653 1.416 547 H MET 72 H MET 72 -10.025 29.032 2.738 548 HA MET 72 HA MET 72 -12.304 27.473 3.028 549 HB2 MET 72 HB2 MET 72 -9.374 26.828 2.966 550 HB3 MET 72 HB3 MET 72 -10.556 25.554 3.254 551 HG2 MET 72 HG2 MET 72 -10.685 27.456 0.899 552 HG3 MET 72 HG3 MET 72 -9.940 25.861 0.825 553 HE1 MET 72 HE1 MET 72 -10.877 23.953 1.802 554 HE2 MET 72 HE2 MET 72 -12.398 23.324 1.184 555 HE3 MET 72 HE3 MET 72 -12.344 24.056 2.784 556 H GLN 73 H GLN 73 -9.555 27.759 5.278 557 HA GLN 73 HA GLN 73 -10.601 26.108 7.297 558 HB2 GLN 73 HB2 GLN 73 -8.748 28.483 7.572 559 HB3 GLN 73 HB3 GLN 73 -8.993 27.231 8.786 560 HG2 GLN 73 HG2 GLN 73 -7.825 26.888 6.012 561 HG3 GLN 73 HG3 GLN 73 -6.986 26.691 7.550 562 HE21 GLN 73 HE21 GLN 73 -8.636 24.995 5.126 563 HE22 GLN 73 HE22 GLN 73 -8.951 23.576 5.997 564 H GLN 74 H GLN 74 -10.913 29.581 6.725 565 HA GLN 74 HA GLN 74 -12.270 30.259 9.080 566 HB2 GLN 74 HB2 GLN 74 -11.447 32.067 7.867 567 HB3 GLN 74 HB3 GLN 74 -12.122 31.481 6.349 568 HG2 GLN 74 HG2 GLN 74 -14.134 31.947 8.444 569 HG3 GLN 74 HG3 GLN 74 -13.280 33.408 7.941 570 HE21 GLN 74 HE21 GLN 74 -13.607 30.793 5.632 571 HE22 GLN 74 HE22 GLN 74 -14.791 31.534 4.675 572 H LYS 75 H LYS 75 -13.500 29.040 5.998 573 HA LYS 75 HA LYS 75 -16.219 29.510 6.383 574 HB2 LYS 75 HB2 LYS 75 -15.184 28.677 4.276 575 HB3 LYS 75 HB3 LYS 75 -14.972 27.101 5.036 576 HG2 LYS 75 HG2 LYS 75 -17.004 26.920 3.816 577 HG3 LYS 75 HG3 LYS 75 -17.502 27.154 5.491 578 HD2 LYS 75 HD2 LYS 75 -17.872 29.538 5.085 579 HD3 LYS 75 HD3 LYS 75 -17.277 29.373 3.433 580 HE2 LYS 75 HE2 LYS 75 -19.122 27.816 2.920 581 HE3 LYS 75 HE3 LYS 75 -19.719 27.978 4.572 582 HZ1 LYS 75 HZ1 LYS 75 -20.912 29.439 3.079 583 HZ2 LYS 75 HZ2 LYS 75 -19.461 30.174 2.589 584 HZ3 LYS 75 HZ3 LYS 75 -20.008 30.350 4.188 585 H GLU 76 H GLU 76 -14.247 26.758 7.431 586 HA GLU 76 HA GLU 76 -15.924 26.255 9.693 587 HB2 GLU 76 HB2 GLU 76 -17.295 25.285 7.797 588 HB3 GLU 76 HB3 GLU 76 -15.996 24.120 7.550 589 HG2 GLU 76 HG2 GLU 76 -17.645 23.083 8.977 590 HG3 GLU 76 HG3 GLU 76 -16.235 23.447 9.966 591 H MET 77 H MET 77 -13.491 26.682 10.163 592 HA MET 77 HA MET 77 -11.507 24.796 9.621 593 HB2 MET 77 HB2 MET 77 -11.152 27.041 10.685 594 HB3 MET 77 HB3 MET 77 -11.782 26.374 12.188 595 HG2 MET 77 HG2 MET 77 -10.005 24.614 12.101 596 HG3 MET 77 HG3 MET 77 -9.341 25.405 10.672 597 HE1 MET 77 HE1 MET 77 -9.284 26.702 15.027 598 HE2 MET 77 HE2 MET 77 -10.065 25.316 14.271 599 HE3 MET 77 HE3 MET 77 -10.820 26.905 14.173 600 H GLN 78 H GLN 78 -12.304 22.683 9.769 601 HA GLN 78 HA GLN 78 -13.650 21.570 11.978 602 HB2 GLN 78 HB2 GLN 78 -11.743 19.798 10.556 603 HB3 GLN 78 HB3 GLN 78 -13.459 19.575 10.884 604 HG2 GLN 78 HG2 GLN 78 -13.911 21.360 9.130 605 HG3 GLN 78 HG3 GLN 78 -12.205 21.254 8.702 606 HE21 GLN 78 HE21 GLN 78 -14.902 20.335 7.348 607 HE22 GLN 78 HE22 GLN 78 -14.539 18.755 6.845 608 HA PRO 79 HA PRO 79 -10.183 21.295 14.750 609 HB2 PRO 79 HB2 PRO 79 -11.293 19.920 16.757 610 HB3 PRO 79 HB3 PRO 79 -11.921 21.521 16.310 611 HG2 PRO 79 HG2 PRO 79 -13.023 18.827 15.736 612 HG3 PRO 79 HG3 PRO 79 -13.866 20.345 16.087 613 HD2 PRO 79 HD2 PRO 79 -13.404 19.241 13.516 614 HD3 PRO 79 HD3 PRO 79 -13.982 20.885 13.867 615 H ARG 80 H ARG 80 -8.537 20.086 14.057 616 HA ARG 80 HA ARG 80 -8.171 17.423 14.886 617 HB2 ARG 80 HB2 ARG 80 -9.446 17.760 12.293 618 HB3 ARG 80 HB3 ARG 80 -7.911 16.899 12.157 619 HG2 ARG 80 HG2 ARG 80 -8.598 15.232 13.733 620 HG3 ARG 80 HG3 ARG 80 -10.009 16.168 14.215 621 HD2 ARG 80 HD2 ARG 80 -9.536 14.932 11.494 622 HD3 ARG 80 HD3 ARG 80 -10.674 14.360 12.708 623 HE ARG 80 HE ARG 80 -11.055 16.576 10.904 624 HH11 ARG 80 HH21 ARG 80 -11.848 15.241 14.005 625 HH12 ARG 80 HH22 ARG 80 -13.360 16.077 14.126 626 HH21 ARG 80 HH11 ARG 80 -13.033 17.668 11.065 627 HH22 ARG 80 HH12 ARG 80 -14.029 17.449 12.464 628 H GLY 81 H GLY 81 -5.998 17.203 15.122 629 HA2 GLY 81 HA2 GLY 81 -4.290 19.197 13.844 630 HA3 GLY 81 HA3 GLY 81 -3.828 18.105 15.140 631 H GLU 82 H GLU 82 -3.654 15.765 14.517 632 HA GLU 82 HA GLU 82 -1.780 15.453 12.460 633 HB2 GLU 82 HB2 GLU 82 -3.419 13.402 13.950 634 HB3 GLU 82 HB3 GLU 82 -2.085 13.005 12.868 635 HG2 GLU 82 HG2 GLU 82 -1.060 13.086 14.990 636 HG3 GLU 82 HG3 GLU 82 -0.690 14.657 14.289 637 H GLN 83 H GLN 83 -5.241 14.546 12.475 638 HA GLN 83 HA GLN 83 -5.241 13.189 10.028 639 HB2 GLN 83 HB2 GLN 83 -7.094 13.164 11.685 640 HB3 GLN 83 HB3 GLN 83 -7.516 14.802 11.188 641 HG2 GLN 83 HG2 GLN 83 -8.935 13.316 9.945 642 HG3 GLN 83 HG3 GLN 83 -7.726 13.921 8.817 643 HE21 GLN 83 HE21 GLN 83 -6.617 12.340 7.652 644 HE22 GLN 83 HE22 GLN 83 -6.533 10.701 8.083 645 H MET 84 H MET 84 -6.527 16.493 10.512 646 HA MET 84 HA MET 84 -6.687 17.071 7.766 647 HB2 MET 84 HB2 MET 84 -6.680 18.794 10.223 648 HB3 MET 84 HB3 MET 84 -6.734 19.504 8.607 649 HG2 MET 84 HG2 MET 84 -8.738 18.133 8.078 650 HG3 MET 84 HG3 MET 84 -8.698 17.456 9.705 651 HE1 MET 84 HE1 MET 84 -10.032 21.303 8.007 652 HE2 MET 84 HE2 MET 84 -8.693 20.284 7.488 653 HE3 MET 84 HE3 MET 84 -8.396 21.619 8.598 654 H ARG 85 H ARG 85 -3.997 17.394 10.013 655 HA ARG 85 HA ARG 85 -2.389 19.209 8.656 656 HB2 ARG 85 HB2 ARG 85 -1.760 18.255 10.824 657 HB3 ARG 85 HB3 ARG 85 -1.519 16.677 10.077 658 HG2 ARG 85 HG2 ARG 85 0.278 17.593 8.677 659 HG3 ARG 85 HG3 ARG 85 0.008 19.199 9.358 660 HD2 ARG 85 HD2 ARG 85 1.882 18.186 10.517 661 HD3 ARG 85 HD3 ARG 85 0.515 18.263 11.625 662 HE ARG 85 HE ARG 85 0.966 15.772 10.119 663 HH11 ARG 85 HH21 ARG 85 1.005 17.551 13.102 664 HH12 ARG 85 HH22 ARG 85 1.088 16.135 14.095 665 HH21 ARG 85 HH11 ARG 85 1.075 13.927 11.426 666 HH22 ARG 85 HH12 ARG 85 1.128 14.090 13.149 667 H ARG 86 H ARG 86 -2.760 15.719 8.098 668 HA ARG 86 HA ARG 86 -0.876 15.460 6.019 669 HB2 ARG 86 HB2 ARG 86 -3.443 13.935 6.534 670 HB3 ARG 86 HB3 ARG 86 -2.207 13.448 5.375 671 HG2 ARG 86 HG2 ARG 86 -0.539 13.350 7.204 672 HG3 ARG 86 HG3 ARG 86 -1.792 13.802 8.359 673 HD2 ARG 86 HD2 ARG 86 -1.561 11.395 8.422 674 HD3 ARG 86 HD3 ARG 86 -3.094 11.775 7.643 675 HE ARG 86 HE ARG 86 -2.260 10.874 5.668 676 HH11 ARG 86 HH21 ARG 86 0.298 11.451 7.938 677 HH12 ARG 86 HH22 ARG 86 1.499 10.632 6.996 678 HH21 ARG 86 HH11 ARG 86 -0.688 9.803 4.437 679 HH22 ARG 86 HH12 ARG 86 0.941 9.700 5.018 680 H MET 87 H MET 87 -4.272 16.392 6.043 681 HA MET 87 HA MET 87 -4.835 16.377 3.317 682 HB2 MET 87 HB2 MET 87 -6.433 16.817 5.259 683 HB3 MET 87 HB3 MET 87 -5.868 18.488 5.206 684 HG2 MET 87 HG2 MET 87 -6.421 18.420 2.696 685 HG3 MET 87 HG3 MET 87 -7.309 16.940 3.049 686 HE1 MET 87 HE1 MET 87 -8.274 17.835 6.197 687 HE2 MET 87 HE2 MET 87 -8.879 16.722 4.980 688 HE3 MET 87 HE3 MET 87 -9.935 17.980 5.611 689 H MET 88 H MET 88 -3.063 18.752 5.235 690 HA MET 88 HA MET 88 -3.119 20.976 3.612 691 HB2 MET 88 HB2 MET 88 -0.782 19.810 5.140 692 HB3 MET 88 HB3 MET 88 -0.820 21.440 4.468 693 HG2 MET 88 HG2 MET 88 -2.582 22.114 5.908 694 HG3 MET 88 HG3 MET 88 -2.983 20.450 6.332 695 HE1 MET 88 HE1 MET 88 0.848 21.172 6.047 696 HE2 MET 88 HE2 MET 88 1.068 22.335 7.351 697 HE3 MET 88 HE3 MET 88 0.019 22.735 5.994 698 H ARG 89 H ARG 89 -0.818 18.253 3.381 699 HA ARG 89 HA ARG 89 0.505 19.146 1.056 700 HB2 ARG 89 HB2 ARG 89 0.057 16.320 2.056 701 HB3 ARG 89 HB3 ARG 89 1.225 16.786 0.820 702 HG2 ARG 89 HG2 ARG 89 1.213 17.951 3.621 703 HG3 ARG 89 HG3 ARG 89 2.193 16.561 3.152 704 HD2 ARG 89 HD2 ARG 89 3.233 17.955 1.358 705 HD3 ARG 89 HD3 ARG 89 2.323 19.341 1.947 706 HE ARG 89 HE ARG 89 4.668 18.164 3.172 707 HH11 ARG 89 HH21 ARG 89 1.795 20.051 3.633 708 HH12 ARG 89 HH22 ARG 89 2.397 20.870 5.035 709 HH21 ARG 89 HH11 ARG 89 5.453 19.236 5.008 710 HH22 ARG 89 HH12 ARG 89 4.464 20.408 5.813 711 H LEU 90 H LEU 90 -2.311 17.064 1.535 712 HA LEU 90 HA LEU 90 -2.765 16.348 -1.147 713 HB2 LEU 90 HB2 LEU 90 -3.818 15.270 0.839 714 HB3 LEU 90 HB3 LEU 90 -4.815 16.711 1.054 715 HG LEU 90 HG LEU 90 -4.830 15.523 -1.671 716 HD11 LEU 90 HD11 LEU 90 -6.488 13.799 -0.981 717 HD12 LEU 90 HD12 LEU 90 -6.165 14.187 0.709 718 HD13 LEU 90 HD13 LEU 90 -4.893 13.490 -0.295 719 HD21 LEU 90 HD21 LEU 90 -7.228 16.102 -1.463 720 HD22 LEU 90 HD22 LEU 90 -6.211 17.477 -1.036 721 HD23 LEU 90 HD23 LEU 90 -6.978 16.521 0.232 722 H ALA 91 H ALA 91 -3.814 19.137 0.757 723 HA ALA 91 HA ALA 91 -5.703 20.229 -0.964 724 HB1 ALA 91 HB1 ALA 91 -5.078 21.041 1.355 725 HB2 ALA 91 HB2 ALA 91 -5.347 22.307 0.158 726 HB3 ALA 91 HB3 ALA 91 -3.704 21.857 0.611 727 H GLU 92 H GLU 92 -2.229 21.049 -0.814 728 HA GLU 92 HA GLU 92 -2.183 22.685 -3.108 729 HB2 GLU 92 HB2 GLU 92 -0.390 22.571 -1.367 730 HB3 GLU 92 HB3 GLU 92 0.087 21.001 -2.014 731 HG2 GLU 92 HG2 GLU 92 -0.154 22.946 -4.153 732 HG3 GLU 92 HG3 GLU 92 0.942 23.535 -2.906 733 H ASN 93 H ASN 93 -1.979 19.200 -2.733 734 HA ASN 93 HA ASN 93 -0.974 18.626 -5.333 735 HB2 ASN 93 HB2 ASN 93 -2.558 16.923 -3.398 736 HB3 ASN 93 HB3 ASN 93 -1.795 16.319 -4.868 737 HD21 ASN 93 HD21 ASN 93 0.229 18.743 -3.796 738 HD22 ASN 93 HD22 ASN 93 1.289 17.815 -2.850 739 H ILE 94 H ILE 94 -4.226 19.079 -4.046 740 HA ILE 94 HA ILE 94 -5.754 17.977 -6.078 741 HB ILE 94 HB ILE 94 -6.201 20.306 -4.231 742 HG12 ILE 94 HG12 ILE 94 -7.657 17.672 -4.567 743 HG13 ILE 94 HG13 ILE 94 -6.286 17.891 -3.481 744 HG21 ILE 94 HG21 ILE 94 -8.564 20.356 -5.058 745 HG22 ILE 94 HG22 ILE 94 -8.083 19.306 -6.389 746 HG23 ILE 94 HG23 ILE 94 -7.407 20.928 -6.258 747 HD11 ILE 94 HD11 ILE 94 -7.526 19.700 -2.312 748 HD12 ILE 94 HD12 ILE 94 -8.385 18.161 -2.240 749 HD13 ILE 94 HD13 ILE 94 -8.910 19.411 -3.367 750 HA PRO 95 HA PRO 95 -5.579 22.098 -8.567 751 HB2 PRO 95 HB2 PRO 95 -3.701 23.951 -7.834 752 HB3 PRO 95 HB3 PRO 95 -5.355 23.930 -7.195 753 HG2 PRO 95 HG2 PRO 95 -2.839 22.935 -5.965 754 HG3 PRO 95 HG3 PRO 95 -4.197 23.798 -5.223 755 HD2 PRO 95 HD2 PRO 95 -3.872 21.101 -4.992 756 HD3 PRO 95 HD3 PRO 95 -5.465 21.884 -4.982 757 H SER 96 H SER 96 -2.654 20.612 -7.380 758 HA SER 96 HA SER 96 -0.833 21.358 -9.406 759 HB2 SER 96 HB2 SER 96 -0.923 18.777 -7.821 760 HB3 SER 96 HB3 SER 96 0.461 19.395 -8.718 761 HG SER 96 HG SER 96 -0.829 20.555 -6.471 762 H ARG 97 H ARG 97 -3.188 18.880 -9.050 763 HA ARG 97 HA ARG 97 -2.664 17.228 -11.198 764 HB2 ARG 97 HB2 ARG 97 -5.171 18.028 -9.754 765 HB3 ARG 97 HB3 ARG 97 -5.175 16.836 -11.021 766 HG2 ARG 97 HG2 ARG 97 -3.401 15.566 -9.786 767 HG3 ARG 97 HG3 ARG 97 -3.576 16.722 -8.466 768 HD2 ARG 97 HD2 ARG 97 -5.761 14.928 -9.558 769 HD3 ARG 97 HD3 ARG 97 -4.915 14.711 -8.029 770 HE ARG 97 HE ARG 97 -5.951 17.243 -7.860 771 HH11 ARG 97 HH21 ARG 97 -7.218 14.090 -8.557 772 HH12 ARG 97 HH22 ARG 97 -8.779 14.423 -7.884 773 HH21 ARG 97 HH11 ARG 97 -7.991 17.673 -6.980 774 HH22 ARG 97 HH12 ARG 97 -9.213 16.448 -6.993 775 H CYS 98 H CYS 98 -4.522 20.274 -11.130 776 HA CYS 98 HA CYS 98 -4.883 20.058 -14.045 777 HB2 CYS 98 HB2 CYS 98 -6.122 22.277 -12.499 778 HB3 CYS 98 HB3 CYS 98 -6.732 21.396 -13.894 779 H ASN 99 H ASN 99 -2.859 21.417 -11.743 780 HA ASN 99 HA ASN 99 -2.529 23.997 -12.686 781 HB2 ASN 99 HB2 ASN 99 -0.549 22.175 -11.375 782 HB3 ASN 99 HB3 ASN 99 -0.113 23.776 -11.994 783 HD21 ASN 99 HD21 ASN 99 -2.919 24.788 -11.379 784 HD22 ASN 99 HD22 ASN 99 -2.916 25.050 -9.707 785 H LEU 100 H LEU 100 -1.069 24.944 -13.910 786 HA LEU 100 HA LEU 100 0.113 23.408 -16.110 787 HB2 LEU 100 HB2 LEU 100 -1.209 25.581 -17.293 788 HB3 LEU 100 HB3 LEU 100 -1.696 23.887 -17.370 789 HG LEU 100 HG LEU 100 -2.741 24.461 -14.942 790 HD11 LEU 100 HD11 LEU 100 -1.820 26.777 -15.040 791 HD12 LEU 100 HD12 LEU 100 -3.567 26.708 -14.812 792 HD13 LEU 100 HD13 LEU 100 -2.897 27.100 -16.397 793 HD21 LEU 100 HD21 LEU 100 -4.057 25.267 -17.532 794 HD22 LEU 100 HD22 LEU 100 -4.869 24.869 -16.016 795 HD23 LEU 100 HD23 LEU 100 -3.976 23.625 -16.891 796 H SER 101 H SER 101 1.865 24.379 -17.019 797 HA SER 101 HA SER 101 3.625 25.934 -15.786 798 HB2 SER 101 HB2 SER 101 4.015 24.947 -18.003 799 HB3 SER 101 HB3 SER 101 2.996 26.183 -18.734 800 HG SER 101 HG SER 101 5.225 26.809 -17.106 801 HA PRO 102 HA PRO 102 1.203 29.773 -15.506 802 HB2 PRO 102 HB2 PRO 102 2.549 30.242 -12.989 803 HB3 PRO 102 HB3 PRO 102 0.852 29.810 -13.258 804 HG2 PRO 102 HG2 PRO 102 2.668 28.164 -12.050 805 HG3 PRO 102 HG3 PRO 102 1.230 27.591 -12.914 806 HD2 PRO 102 HD2 PRO 102 4.068 27.723 -13.891 807 HD3 PRO 102 HD3 PRO 102 2.854 26.436 -14.102 808 H MET 103 H MET 103 1.862 31.809 -16.151 809 HA MET 103 HA MET 103 4.626 32.157 -16.873 810 HB2 MET 103 HB2 MET 103 2.282 34.069 -16.992 811 HB3 MET 103 HB3 MET 103 3.867 34.370 -17.703 812 HG2 MET 103 HG2 MET 103 1.992 32.092 -18.414 813 HG3 MET 103 HG3 MET 103 2.345 33.501 -19.414 814 HE1 MET 103 HE1 MET 103 5.707 33.771 -18.936 815 HE2 MET 103 HE2 MET 103 4.484 34.224 -20.121 816 HE3 MET 103 HE3 MET 103 5.831 33.197 -20.605 817 H ARG 104 H ARG 104 2.458 34.112 -14.782 818 HA ARG 104 HA ARG 104 4.638 34.484 -12.880 819 HB2 ARG 104 HB2 ARG 104 3.794 36.543 -14.802 820 HB3 ARG 104 HB3 ARG 104 3.807 37.090 -13.128 821 HG2 ARG 104 HG2 ARG 104 6.128 35.687 -14.492 822 HG3 ARG 104 HG3 ARG 104 6.001 37.432 -14.285 823 HD2 ARG 104 HD2 ARG 104 6.468 35.308 -12.221 824 HD3 ARG 104 HD3 ARG 104 7.267 36.862 -12.420 825 HE ARG 104 HE ARG 104 4.959 36.351 -10.825 826 HH11 ARG 104 HH21 ARG 104 6.409 38.678 -12.948 827 HH12 ARG 104 HH22 ARG 104 5.611 40.033 -12.223 828 HH21 ARG 104 HH11 ARG 104 3.917 38.126 -9.880 829 HH22 ARG 104 HH12 ARG 104 4.203 39.721 -10.490 830 H CYS 105 H CYS 105 3.954 34.896 -10.825 831 HA CYS 105 HA CYS 105 1.043 34.911 -10.376 832 HB2 CYS 105 HB2 CYS 105 3.416 34.126 -8.708 833 HB3 CYS 105 HB3 CYS 105 1.892 34.549 -7.926 834 HA PRO 106 HA PRO 106 1.686 39.336 -9.705 835 HB2 PRO 106 HB2 PRO 106 -1.173 39.344 -9.022 836 HB3 PRO 106 HB3 PRO 106 -0.317 40.229 -10.295 837 HG2 PRO 106 HG2 PRO 106 -1.965 38.150 -10.797 838 HG3 PRO 106 HG3 PRO 106 -0.575 38.558 -11.817 839 HD2 PRO 106 HD2 PRO 106 -0.870 36.338 -9.837 840 HD3 PRO 106 HD3 PRO 106 0.060 36.390 -11.349 841 H MET 107 H MET 107 1.291 36.987 -7.511 842 HA MET 107 HA MET 107 0.385 38.484 -5.230 843 HB2 MET 107 HB2 MET 107 1.712 35.864 -5.681 844 HB3 MET 107 HB3 MET 107 1.489 36.471 -4.046 845 HG2 MET 107 HG2 MET 107 -0.434 35.131 -5.688 846 HG3 MET 107 HG3 MET 107 -0.641 35.763 -4.057 847 HE1 MET 107 HE1 MET 107 -0.586 36.245 -7.669 848 HE2 MET 107 HE2 MET 107 -1.646 37.592 -8.069 849 HE3 MET 107 HE3 MET 107 -2.340 36.063 -7.542 850 H GLY 108 H GLY 108 1.613 40.263 -5.068 851 HA2 GLY 108 HA2 GLY 108 3.307 41.462 -4.084 852 HA3 GLY 108 HA3 GLY 108 4.153 39.964 -3.743 853 H GLY 109 H GLY 109 3.029 40.676 -6.948 854 HA2 GLY 109 HA2 GLY 109 4.196 40.769 -8.946 855 HA3 GLY 109 HA3 GLY 109 5.000 42.120 -8.156 856 H SER 110 H SER 110 5.089 38.543 -8.070 857 HA SER 110 HA SER 110 7.686 38.245 -7.114 858 HB2 SER 110 HB2 SER 110 6.087 36.380 -7.344 859 HB3 SER 110 HB3 SER 110 6.248 36.464 -9.096 860 HG SER 110 HG SER 110 8.053 35.409 -8.932 861 H ILE 111 H ILE 111 9.694 37.966 -8.083 862 HA ILE 111 HA ILE 111 9.994 39.318 -10.668 863 HB ILE 111 HB ILE 111 12.072 38.464 -8.633 864 HG12 ILE 111 HG12 ILE 111 10.982 41.224 -9.286 865 HG13 ILE 111 HG13 ILE 111 10.466 40.262 -7.898 866 HG21 ILE 111 HG21 ILE 111 13.544 39.998 -9.955 867 HG22 ILE 111 HG22 ILE 111 12.256 40.155 -11.148 868 HG23 ILE 111 HG23 ILE 111 13.023 38.590 -10.878 869 HD11 ILE 111 HD11 ILE 111 12.908 40.150 -7.205 870 HD12 ILE 111 HD12 ILE 111 12.174 41.751 -7.103 871 HD13 ILE 111 HD13 ILE 111 13.236 41.353 -8.454 872 H ALA 112 H ALA 112 11.819 36.643 -9.209 873 HA ALA 112 HA ALA 112 12.353 35.381 -11.702 874 HB1 ALA 112 HB1 ALA 112 12.510 34.146 -8.949 875 HB2 ALA 112 HB2 ALA 112 13.761 35.209 -9.594 876 HB3 ALA 112 HB3 ALA 112 13.408 33.676 -10.392 877 H GLY 113 H GLY 113 11.884 32.710 -11.232 878 HA2 GLY 113 HA2 GLY 113 9.055 32.632 -11.720 879 HA3 GLY 113 HA3 GLY 113 10.134 31.224 -11.660 880 H PHE 114 H PHE 114 8.022 33.279 -9.950 881 HA PHE 114 HA PHE 114 8.489 33.103 -7.325 882 HB2 PHE 114 HB2 PHE 114 6.078 33.087 -6.921 883 HB3 PHE 114 HB3 PHE 114 6.449 34.102 -8.315 884 HD1 PHE 114 HD1 PHE 114 6.022 33.278 -10.627 885 HD2 PHE 114 HD2 PHE 114 4.823 31.041 -7.158 886 HE1 PHE 114 HE1 PHE 114 4.523 31.895 -12.036 887 HE2 PHE 114 HE2 PHE 114 3.325 29.659 -8.570 888 HZ PHE 114 HZ PHE 114 3.175 30.086 -11.006 Start of MODEL 3 1 H1 GLU 1 H1 GLU 1 1.644 45.174 -7.124 2 H2 GLU 1 H2 GLU 1 2.550 43.746 -7.294 3 H3 GLU 1 H3 GLU 1 1.801 44.108 -5.813 4 HA GLU 1 HA GLU 1 0.763 42.462 -7.629 5 HB2 GLU 1 HB2 GLU 1 0.020 42.869 -5.275 6 HB3 GLU 1 HB3 GLU 1 -0.823 44.315 -5.826 7 HG2 GLU 1 HG2 GLU 1 -2.142 42.893 -7.404 8 HG3 GLU 1 HG3 GLU 1 -1.360 41.468 -6.723 9 H ALA 2 H ALA 2 -0.232 42.556 -9.555 10 HA ALA 2 HA ALA 2 -0.468 44.978 -11.005 11 HB1 ALA 2 HB1 ALA 2 -1.635 42.235 -11.517 12 HB2 ALA 2 HB2 ALA 2 -0.139 42.894 -12.180 13 HB3 ALA 2 HB3 ALA 2 -1.693 43.567 -12.671 14 H GLU 3 H GLU 3 -2.216 46.236 -11.523 15 HA GLU 3 HA GLU 3 -4.296 46.486 -9.631 16 HB2 GLU 3 HB2 GLU 3 -5.170 48.214 -11.039 17 HB3 GLU 3 HB3 GLU 3 -3.414 48.320 -11.115 18 HG2 GLU 3 HG2 GLU 3 -5.188 46.955 -13.168 19 HG3 GLU 3 HG3 GLU 3 -4.427 48.530 -13.362 20 H ALA 4 H ALA 4 -4.037 44.670 -12.598 21 HA ALA 4 HA ALA 4 -6.808 44.262 -13.046 22 HB1 ALA 4 HB1 ALA 4 -5.133 43.877 -14.803 23 HB2 ALA 4 HB2 ALA 4 -6.090 42.423 -14.519 24 HB3 ALA 4 HB3 ALA 4 -4.456 42.545 -13.867 25 H GLN 5 H GLN 5 -4.789 43.190 -10.633 26 HA GLN 5 HA GLN 5 -5.537 40.579 -10.078 27 HB2 GLN 5 HB2 GLN 5 -3.818 41.751 -8.828 28 HB3 GLN 5 HB3 GLN 5 -5.016 42.888 -8.207 29 HG2 GLN 5 HG2 GLN 5 -5.596 40.009 -7.749 30 HG3 GLN 5 HG3 GLN 5 -4.228 40.664 -6.855 31 HE21 GLN 5 HE21 GLN 5 -7.532 40.210 -6.627 32 HE22 GLN 5 HE22 GLN 5 -7.897 41.446 -5.522 33 H GLU 6 H GLU 6 -7.278 43.589 -9.533 34 HA GLU 6 HA GLU 6 -9.244 42.828 -7.755 35 HB2 GLU 6 HB2 GLU 6 -10.611 44.592 -8.700 36 HB3 GLU 6 HB3 GLU 6 -8.930 45.120 -8.688 37 HG2 GLU 6 HG2 GLU 6 -8.758 44.322 -11.085 38 HG3 GLU 6 HG3 GLU 6 -10.502 44.070 -11.056 39 H GLU 7 H GLU 7 -9.061 42.147 -11.223 40 HA GLU 7 HA GLU 7 -11.633 41.149 -11.664 41 HB2 GLU 7 HB2 GLU 7 -9.733 41.526 -13.361 42 HB3 GLU 7 HB3 GLU 7 -9.127 39.949 -12.862 43 HG2 GLU 7 HG2 GLU 7 -11.911 40.480 -13.955 44 HG3 GLU 7 HG3 GLU 7 -10.575 39.797 -14.877 45 H CYS 8 H CYS 8 -8.708 39.626 -10.427 46 HA CYS 8 HA CYS 8 -9.700 37.014 -10.225 47 HB2 CYS 8 HB2 CYS 8 -7.572 38.333 -8.533 48 HB3 CYS 8 HB3 CYS 8 -7.798 36.598 -8.762 49 H ARG 9 H ARG 9 -9.507 39.607 -7.779 50 HA ARG 9 HA ARG 9 -10.562 38.209 -5.615 51 HB2 ARG 9 HB2 ARG 9 -9.616 40.519 -5.520 52 HB3 ARG 9 HB3 ARG 9 -11.085 41.116 -6.290 53 HG2 ARG 9 HG2 ARG 9 -12.426 40.186 -4.418 54 HG3 ARG 9 HG3 ARG 9 -10.936 39.651 -3.638 55 HD2 ARG 9 HD2 ARG 9 -10.145 42.025 -3.633 56 HD3 ARG 9 HD3 ARG 9 -11.711 42.510 -4.277 57 HE ARG 9 HE ARG 9 -12.627 42.199 -2.163 58 HH11 ARG 9 HH21 ARG 9 -9.492 40.733 -2.381 59 HH12 ARG 9 HH22 ARG 9 -9.389 40.385 -0.688 60 HH21 ARG 9 HH11 ARG 9 -12.491 41.743 0.054 61 HH22 ARG 9 HH12 ARG 9 -11.084 40.956 0.689 62 H GLU 10 H GLU 10 -12.275 40.135 -8.073 63 HA GLU 10 HA GLU 10 -14.895 39.610 -7.157 64 HB2 GLU 10 HB2 GLU 10 -14.548 41.408 -8.702 65 HB3 GLU 10 HB3 GLU 10 -13.795 40.337 -9.880 66 HG2 GLU 10 HG2 GLU 10 -16.595 39.749 -8.972 67 HG3 GLU 10 HG3 GLU 10 -16.335 41.042 -10.141 68 H GLN 11 H GLN 11 -12.816 37.984 -9.505 69 HA GLN 11 HA GLN 11 -14.622 36.100 -10.495 70 HB2 GLN 11 HB2 GLN 11 -12.298 36.626 -11.351 71 HB3 GLN 11 HB3 GLN 11 -11.672 35.619 -10.047 72 HG2 GLN 11 HG2 GLN 11 -12.936 33.701 -10.885 73 HG3 GLN 11 HG3 GLN 11 -13.648 34.697 -12.153 74 HE21 GLN 11 HE21 GLN 11 -10.486 35.764 -11.757 75 HE22 GLN 11 HE22 GLN 11 -9.743 34.821 -12.957 76 H MET 12 H MET 12 -12.517 35.956 -7.634 77 HA MET 12 HA MET 12 -12.891 33.296 -6.930 78 HB2 MET 12 HB2 MET 12 -12.471 35.731 -5.197 79 HB3 MET 12 HB3 MET 12 -12.469 34.084 -4.567 80 HG2 MET 12 HG2 MET 12 -10.687 33.526 -6.272 81 HG3 MET 12 HG3 MET 12 -10.599 35.245 -6.646 82 HE1 MET 12 HE1 MET 12 -10.242 32.433 -4.379 83 HE2 MET 12 HE2 MET 12 -10.922 33.294 -3.001 84 HE3 MET 12 HE3 MET 12 -9.201 32.923 -3.037 85 H GLN 13 H GLN 13 -14.990 36.085 -6.180 86 HA GLN 13 HA GLN 13 -16.728 34.741 -4.423 87 HB2 GLN 13 HB2 GLN 13 -17.100 37.113 -6.236 88 HB3 GLN 13 HB3 GLN 13 -18.443 36.469 -5.299 89 HG2 GLN 13 HG2 GLN 13 -17.493 38.150 -3.918 90 HG3 GLN 13 HG3 GLN 13 -16.904 36.628 -3.256 91 HE21 GLN 13 HE21 GLN 13 -15.951 39.520 -5.064 92 HE22 GLN 13 HE22 GLN 13 -14.280 39.249 -4.952 93 H ARG 14 H ARG 14 -16.992 35.209 -7.949 94 HA ARG 14 HA ARG 14 -19.369 33.782 -8.332 95 HB2 ARG 14 HB2 ARG 14 -18.167 35.293 -9.994 96 HB3 ARG 14 HB3 ARG 14 -17.061 33.952 -10.279 97 HG2 ARG 14 HG2 ARG 14 -18.886 32.529 -11.011 98 HG3 ARG 14 HG3 ARG 14 -20.069 33.765 -10.579 99 HD2 ARG 14 HD2 ARG 14 -19.779 34.020 -12.911 100 HD3 ARG 14 HD3 ARG 14 -18.809 35.304 -12.201 101 HE ARG 14 HE ARG 14 -17.783 32.845 -13.459 102 HH11 ARG 14 HH21 ARG 14 -17.228 35.893 -11.888 103 HH12 ARG 14 HH22 ARG 14 -15.576 36.000 -12.397 104 HH21 ARG 14 HH11 ARG 14 -15.626 32.994 -14.118 105 HH22 ARG 14 HH12 ARG 14 -14.672 34.363 -13.656 106 H GLN 15 H GLN 15 -15.965 32.883 -8.425 107 HA GLN 15 HA GLN 15 -16.506 30.107 -8.877 108 HB2 GLN 15 HB2 GLN 15 -14.051 31.759 -8.352 109 HB3 GLN 15 HB3 GLN 15 -13.971 30.002 -8.250 110 HG2 GLN 15 HG2 GLN 15 -13.402 30.957 -10.528 111 HG3 GLN 15 HG3 GLN 15 -14.682 29.751 -10.530 112 HE21 GLN 15 HE21 GLN 15 -16.898 30.493 -10.925 113 HE22 GLN 15 HE22 GLN 15 -17.201 32.037 -11.557 114 H GLN 16 H GLN 16 -18.010 29.942 -7.116 115 HA GLN 16 HA GLN 16 -17.057 30.097 -4.393 116 HB2 GLN 16 HB2 GLN 16 -19.640 29.016 -5.543 117 HB3 GLN 16 HB3 GLN 16 -19.316 29.273 -3.825 118 HG2 GLN 16 HG2 GLN 16 -18.890 31.667 -4.278 119 HG3 GLN 16 HG3 GLN 16 -19.253 31.402 -5.979 120 HE21 GLN 16 HE21 GLN 16 -20.807 33.277 -4.769 121 HE22 GLN 16 HE22 GLN 16 -22.362 32.680 -4.461 122 H MET 17 H MET 17 -15.569 28.340 -6.093 123 HA MET 17 HA MET 17 -16.263 25.624 -5.684 124 HB2 MET 17 HB2 MET 17 -14.411 25.174 -6.900 125 HB3 MET 17 HB3 MET 17 -14.404 26.907 -7.196 126 HG2 MET 17 HG2 MET 17 -13.078 26.797 -4.806 127 HG3 MET 17 HG3 MET 17 -12.583 25.271 -5.533 128 HE1 MET 17 HE1 MET 17 -12.209 29.131 -5.510 129 HE2 MET 17 HE2 MET 17 -13.563 28.772 -6.576 130 HE3 MET 17 HE3 MET 17 -12.096 29.489 -7.238 131 H LEU 18 H LEU 18 -14.779 27.983 -3.645 132 HA LEU 18 HA LEU 18 -13.305 26.332 -1.931 133 HB2 LEU 18 HB2 LEU 18 -14.066 28.247 -0.206 134 HB3 LEU 18 HB3 LEU 18 -12.808 28.486 -1.415 135 HG LEU 18 HG LEU 18 -14.375 29.541 -2.932 136 HD11 LEU 18 HD11 LEU 18 -16.390 28.381 -2.686 137 HD12 LEU 18 HD12 LEU 18 -16.761 29.925 -1.930 138 HD13 LEU 18 HD13 LEU 18 -16.375 28.525 -0.931 139 HD21 LEU 18 HD21 LEU 18 -15.002 31.509 -1.607 140 HD22 LEU 18 HD22 LEU 18 -13.406 30.943 -1.116 141 HD23 LEU 18 HD23 LEU 18 -14.814 30.587 -0.115 142 H SER 19 H SER 19 -16.758 26.895 -2.144 143 HA SER 19 HA SER 19 -17.459 25.893 0.432 144 HB2 SER 19 HB2 SER 19 -19.126 25.877 -2.095 145 HB3 SER 19 HB3 SER 19 -19.719 25.764 -0.441 146 HG SER 19 HG SER 19 -18.372 27.943 -1.666 147 H HIS 20 H HIS 20 -17.344 24.449 -2.807 148 HA HIS 20 HA HIS 20 -18.056 21.811 -1.999 149 HB2 HIS 20 HB2 HIS 20 -16.269 22.311 -4.359 150 HB3 HIS 20 HB3 HIS 20 -17.629 21.198 -4.205 151 HD2 HIS 20 HD2 HIS 20 -19.832 23.578 -3.208 152 HE1 HIS 20 HE1 HIS 20 -18.951 25.270 -6.973 153 HE2 HIS 20 HE2 HIS 20 -20.584 25.289 -5.030 154 H CYS 21 H CYS 21 -15.124 23.655 -2.288 155 HA CYS 21 HA CYS 21 -13.222 21.618 -1.928 156 HB2 CYS 21 HB2 CYS 21 -13.316 24.585 -1.649 157 HB3 CYS 21 HB3 CYS 21 -11.973 23.741 -0.867 158 H ARG 22 H ARG 22 -14.843 23.794 0.390 159 HA ARG 22 HA ARG 22 -13.627 22.854 2.734 160 HB2 ARG 22 HB2 ARG 22 -15.108 24.875 2.578 161 HB3 ARG 22 HB3 ARG 22 -16.494 23.792 2.453 162 HG2 ARG 22 HG2 ARG 22 -16.283 24.432 4.772 163 HG3 ARG 22 HG3 ARG 22 -15.775 22.750 4.638 164 HD2 ARG 22 HD2 ARG 22 -13.550 24.579 4.189 165 HD3 ARG 22 HD3 ARG 22 -14.300 24.843 5.759 166 HE ARG 22 HE ARG 22 -13.839 22.056 5.232 167 HH11 ARG 22 HH21 ARG 22 -12.396 25.034 6.264 168 HH12 ARG 22 HH22 ARG 22 -11.151 24.265 7.190 169 HH21 ARG 22 HH11 ARG 22 -12.205 21.054 6.447 170 HH22 ARG 22 HH12 ARG 22 -11.043 22.019 7.293 171 H MET 23 H MET 23 -16.516 21.757 0.992 172 HA MET 23 HA MET 23 -17.324 19.731 2.758 173 HB2 MET 23 HB2 MET 23 -18.615 20.537 0.754 174 HB3 MET 23 HB3 MET 23 -17.492 19.640 -0.265 175 HG2 MET 23 HG2 MET 23 -18.085 17.557 0.985 176 HG3 MET 23 HG3 MET 23 -19.289 18.480 1.883 177 HE1 MET 23 HE1 MET 23 -18.267 18.533 -2.081 178 HE2 MET 23 HE2 MET 23 -19.270 17.135 -2.459 179 HE3 MET 23 HE3 MET 23 -18.016 17.002 -1.229 180 H TYR 24 H TYR 24 -14.956 19.770 0.134 181 HA TYR 24 HA TYR 24 -14.275 17.046 0.124 182 HB2 TYR 24 HB2 TYR 24 -13.088 17.850 -1.607 183 HB3 TYR 24 HB3 TYR 24 -13.256 19.497 -1.017 184 HD1 TYR 24 HD2 TYR 24 -11.380 16.376 -0.052 185 HD2 TYR 24 HD1 TYR 24 -11.276 20.637 -0.589 186 HE1 TYR 24 HE2 TYR 24 -8.987 16.399 0.582 187 HE2 TYR 24 HE1 TYR 24 -8.882 20.658 0.047 188 HH TYR 24 HH TYR 24 -6.945 18.145 -0.009 189 H MET 25 H MET 25 -12.977 19.766 2.018 190 HA MET 25 HA MET 25 -10.922 18.419 3.350 191 HB2 MET 25 HB2 MET 25 -12.737 20.579 4.439 192 HB3 MET 25 HB3 MET 25 -11.171 20.124 5.107 193 HG2 MET 25 HG2 MET 25 -11.582 21.140 2.279 194 HG3 MET 25 HG3 MET 25 -11.069 22.148 3.630 195 HE1 MET 25 HE1 MET 25 -7.636 21.069 4.583 196 HE2 MET 25 HE2 MET 25 -9.058 20.345 5.330 197 HE3 MET 25 HE3 MET 25 -9.082 22.046 4.875 198 H ARG 26 H ARG 26 -14.277 18.979 4.434 199 HA ARG 26 HA ARG 26 -14.179 17.420 6.771 200 HB2 ARG 26 HB2 ARG 26 -16.027 19.002 6.112 201 HB3 ARG 26 HB3 ARG 26 -16.577 17.790 4.955 202 HG2 ARG 26 HG2 ARG 26 -16.754 16.154 6.861 203 HG3 ARG 26 HG3 ARG 26 -16.395 17.480 7.965 204 HD2 ARG 26 HD2 ARG 26 -18.744 17.334 6.054 205 HD3 ARG 26 HD3 ARG 26 -18.818 17.151 7.802 206 HE ARG 26 HE ARG 26 -18.395 19.482 8.033 207 HH11 ARG 26 HH21 ARG 26 -18.518 18.406 4.732 208 HH12 ARG 26 HH22 ARG 26 -18.734 19.997 4.086 209 HH21 ARG 26 HH11 ARG 26 -18.679 21.559 7.175 210 HH22 ARG 26 HH12 ARG 26 -18.824 21.777 5.463 211 H GLN 27 H GLN 27 -14.995 16.622 3.439 212 HA GLN 27 HA GLN 27 -15.741 13.961 3.788 213 HB2 GLN 27 HB2 GLN 27 -16.125 15.126 1.681 214 HB3 GLN 27 HB3 GLN 27 -14.391 15.308 1.433 215 HG2 GLN 27 HG2 GLN 27 -15.437 13.402 0.146 216 HG3 GLN 27 HG3 GLN 27 -14.095 12.934 1.186 217 HE21 GLN 27 HE21 GLN 27 -14.847 12.259 3.511 218 HE22 GLN 27 HE22 GLN 27 -16.256 11.282 3.576 219 H GLN 28 H GLN 28 -12.583 15.503 3.421 220 HA GLN 28 HA GLN 28 -11.112 13.111 3.172 221 HB2 GLN 28 HB2 GLN 28 -10.284 15.437 2.723 222 HB3 GLN 28 HB3 GLN 28 -10.232 15.649 4.467 223 HG2 GLN 28 HG2 GLN 28 -8.924 13.185 3.513 224 HG3 GLN 28 HG3 GLN 28 -8.152 14.666 2.960 225 HE21 GLN 28 HE21 GLN 28 -6.288 14.340 4.372 226 HE22 GLN 28 HE22 GLN 28 -6.412 14.541 6.053 227 H MET 29 H MET 29 -12.299 14.970 5.918 228 HA MET 29 HA MET 29 -10.876 13.702 7.980 229 HB2 MET 29 HB2 MET 29 -13.746 14.650 8.167 230 HB3 MET 29 HB3 MET 29 -12.573 14.525 9.474 231 HG2 MET 29 HG2 MET 29 -12.477 16.428 7.123 232 HG3 MET 29 HG3 MET 29 -12.713 16.850 8.813 233 HE1 MET 29 HE1 MET 29 -10.794 15.056 10.378 234 HE2 MET 29 HE2 MET 29 -11.026 16.785 10.620 235 HE3 MET 29 HE3 MET 29 -9.396 16.128 10.505 236 H GLU 30 H GLU 30 -14.082 12.925 6.591 237 HA GLU 30 HA GLU 30 -14.450 10.560 8.147 238 HB2 GLU 30 HB2 GLU 30 -15.667 11.472 5.533 239 HB3 GLU 30 HB3 GLU 30 -16.136 9.977 6.343 240 HG2 GLU 30 HG2 GLU 30 -17.695 11.443 7.239 241 HG3 GLU 30 HG3 GLU 30 -16.413 11.562 8.440 242 H GLU 31 H GLU 31 -13.157 11.169 4.920 243 HA GLU 31 HA GLU 31 -12.693 8.454 4.220 244 HB2 GLU 31 HB2 GLU 31 -11.588 11.050 3.153 245 HB3 GLU 31 HB3 GLU 31 -11.173 9.476 2.470 246 HG2 GLU 31 HG2 GLU 31 -13.566 9.010 2.085 247 HG3 GLU 31 HG3 GLU 31 -13.980 10.581 2.756 248 H SER 32 H SER 32 -11.222 10.245 6.591 249 HA SER 32 HA SER 32 -8.579 10.152 6.539 250 HB2 SER 32 HB2 SER 32 -8.581 9.409 8.925 251 HB3 SER 32 HB3 SER 32 -9.735 10.693 8.579 252 HG SER 32 HG SER 32 -11.012 8.479 8.106 253 H THR 33 H THR 33 -10.443 7.175 7.242 254 HA THR 33 HA THR 33 -8.264 5.433 7.409 255 HB THR 33 HB THR 33 -11.014 4.784 6.319 256 HG1 THR 33 HG1 THR 33 -10.929 5.860 8.396 257 HG21 THR 33 HG21 THR 33 -9.534 2.939 5.949 258 HG22 THR 33 HG22 THR 33 -10.449 2.550 7.406 259 HG23 THR 33 HG23 THR 33 -8.790 3.133 7.536 260 H TYR 34 H TYR 34 -10.083 6.532 4.596 261 HA TYR 34 HA TYR 34 -8.396 4.958 2.785 262 HB2 TYR 34 HB2 TYR 34 -10.846 6.630 2.197 263 HB3 TYR 34 HB3 TYR 34 -10.029 5.544 1.073 264 HD1 TYR 34 HD2 TYR 34 -9.974 3.075 1.537 265 HD2 TYR 34 HD1 TYR 34 -12.350 5.795 3.864 266 HE1 TYR 34 HE2 TYR 34 -11.297 1.169 2.415 267 HE2 TYR 34 HE1 TYR 34 -13.672 3.889 4.742 268 HH TYR 34 HH TYR 34 -13.140 1.281 5.067 269 H GLN 35 H GLN 35 -8.028 7.884 4.206 270 HA GLN 35 HA GLN 35 -7.767 9.916 2.510 271 HB2 GLN 35 HB2 GLN 35 -5.566 10.536 3.546 272 HB3 GLN 35 HB3 GLN 35 -6.911 10.280 4.652 273 HG2 GLN 35 HG2 GLN 35 -5.907 7.770 4.598 274 HG3 GLN 35 HG3 GLN 35 -4.432 8.676 4.262 275 HE21 GLN 35 HE21 GLN 35 -7.015 10.098 6.178 276 HE22 GLN 35 HE22 GLN 35 -6.219 10.038 7.654 277 H THR 36 H THR 36 -5.628 7.086 2.399 278 HA THR 36 HA THR 36 -3.755 8.141 0.577 279 HB THR 36 HB THR 36 -3.374 5.702 -0.021 280 HG1 THR 36 HG1 THR 36 -5.503 5.470 1.831 281 HG21 THR 36 HG21 THR 36 -2.492 5.142 2.212 282 HG22 THR 36 HG22 THR 36 -3.467 6.430 2.921 283 HG23 THR 36 HG23 THR 36 -2.158 6.826 1.809 284 H MET 37 H MET 37 -4.390 9.118 -1.222 285 HA MET 37 HA MET 37 -6.714 8.488 -2.713 286 HB2 MET 37 HB2 MET 37 -4.236 10.036 -3.502 287 HB3 MET 37 HB3 MET 37 -5.743 10.006 -4.420 288 HG2 MET 37 HG2 MET 37 -5.554 10.876 -1.518 289 HG3 MET 37 HG3 MET 37 -5.526 11.993 -2.884 290 HE1 MET 37 HE1 MET 37 -7.176 12.616 -4.295 291 HE2 MET 37 HE2 MET 37 -8.886 12.190 -4.302 292 HE3 MET 37 HE3 MET 37 -7.707 11.083 -5.001 293 HA PRO 38 HA PRO 38 -4.816 5.024 -4.870 294 HB2 PRO 38 HB2 PRO 38 -7.084 3.975 -5.885 295 HB3 PRO 38 HB3 PRO 38 -6.689 3.842 -4.159 296 HG2 PRO 38 HG2 PRO 38 -8.575 5.687 -5.532 297 HG3 PRO 38 HG3 PRO 38 -8.742 4.849 -3.980 298 HD2 PRO 38 HD2 PRO 38 -7.985 7.513 -4.258 299 HD3 PRO 38 HD3 PRO 38 -7.648 6.511 -2.828 300 H ARG 39 H ARG 39 -4.036 4.868 -6.929 301 HA ARG 39 HA ARG 39 -4.413 6.959 -8.803 302 HB2 ARG 39 HB2 ARG 39 -3.396 4.171 -9.368 303 HB3 ARG 39 HB3 ARG 39 -3.096 5.617 -10.325 304 HG2 ARG 39 HG2 ARG 39 -1.943 6.649 -8.367 305 HG3 ARG 39 HG3 ARG 39 -2.147 5.136 -7.485 306 HD2 ARG 39 HD2 ARG 39 -0.910 3.972 -9.344 307 HD3 ARG 39 HD3 ARG 39 -0.578 5.554 -10.042 308 HE ARG 39 HE ARG 39 1.028 5.886 -8.399 309 HH11 ARG 39 HH21 ARG 39 -1.080 3.269 -7.540 310 HH12 ARG 39 HH22 ARG 39 -0.140 2.787 -6.167 311 HH21 ARG 39 HH11 ARG 39 2.255 5.253 -6.602 312 HH22 ARG 39 HH12 ARG 39 1.745 3.909 -5.637 313 H ARG 40 H ARG 40 -5.768 3.716 -8.486 314 HA ARG 40 HA ARG 40 -7.060 3.589 -10.977 315 HB2 ARG 40 HB2 ARG 40 -7.735 2.294 -8.329 316 HB3 ARG 40 HB3 ARG 40 -8.542 1.902 -9.848 317 HG2 ARG 40 HG2 ARG 40 -5.538 1.792 -9.555 318 HG3 ARG 40 HG3 ARG 40 -6.565 0.408 -9.188 319 HD2 ARG 40 HD2 ARG 40 -6.517 1.871 -11.843 320 HD3 ARG 40 HD3 ARG 40 -5.695 0.349 -11.520 321 HE ARG 40 HE ARG 40 -8.529 0.718 -11.971 322 HH11 ARG 40 HH21 ARG 40 -6.062 -1.249 -10.529 323 HH12 ARG 40 HH22 ARG 40 -7.015 -2.695 -10.555 324 HH21 ARG 40 HH11 ARG 40 -9.773 -1.177 -12.002 325 HH22 ARG 40 HH12 ARG 40 -9.111 -2.654 -11.387 326 H GLY 41 H GLY 41 -8.151 5.282 -11.587 327 HA2 GLY 41 HA2 GLY 41 -9.830 6.864 -11.737 328 HA3 GLY 41 HA3 GLY 41 -10.812 5.691 -10.867 329 H MET 42 H MET 42 -8.624 8.427 -10.512 330 HA MET 42 HA MET 42 -8.609 8.699 -7.732 331 HB2 MET 42 HB2 MET 42 -8.529 10.825 -9.886 332 HB3 MET 42 HB3 MET 42 -8.179 11.122 -8.183 333 HG2 MET 42 HG2 MET 42 -6.381 9.391 -8.289 334 HG3 MET 42 HG3 MET 42 -6.688 9.222 -10.018 335 HE1 MET 42 HE1 MET 42 -3.323 11.080 -10.031 336 HE2 MET 42 HE2 MET 42 -4.272 9.738 -10.666 337 HE3 MET 42 HE3 MET 42 -3.885 9.799 -8.948 338 H GLU 43 H GLU 43 -9.733 10.409 -6.455 339 HA GLU 43 HA GLU 43 -12.552 10.051 -6.609 340 HB2 GLU 43 HB2 GLU 43 -10.974 10.589 -4.566 341 HB3 GLU 43 HB3 GLU 43 -11.325 12.261 -5.002 342 HG2 GLU 43 HG2 GLU 43 -13.705 11.892 -4.770 343 HG3 GLU 43 HG3 GLU 43 -13.462 10.160 -4.549 344 HA PRO 44 HA PRO 44 -13.248 13.307 -9.604 345 HB2 PRO 44 HB2 PRO 44 -16.001 13.217 -9.479 346 HB3 PRO 44 HB3 PRO 44 -15.010 12.104 -10.439 347 HG2 PRO 44 HG2 PRO 44 -16.291 11.694 -7.790 348 HG3 PRO 44 HG3 PRO 44 -16.086 10.560 -9.136 349 HD2 PRO 44 HD2 PRO 44 -14.510 10.505 -6.904 350 HD3 PRO 44 HD3 PRO 44 -13.934 9.986 -8.504 351 H HIS 45 H HIS 45 -14.534 13.192 -6.357 352 HA HIS 45 HA HIS 45 -15.817 15.646 -6.126 353 HB2 HIS 45 HB2 HIS 45 -14.063 14.259 -4.081 354 HB3 HIS 45 HB3 HIS 45 -15.216 15.544 -3.730 355 HD2 HIS 45 HD2 HIS 45 -17.355 13.879 -6.064 356 HE1 HIS 45 HE1 HIS 45 -17.625 11.279 -2.750 357 HE2 HIS 45 HE2 HIS 45 -18.695 11.931 -4.957 358 H MET 46 H MET 46 -12.365 14.886 -5.808 359 HA MET 46 HA MET 46 -11.507 17.511 -5.160 360 HB2 MET 46 HB2 MET 46 -9.949 15.322 -6.561 361 HB3 MET 46 HB3 MET 46 -9.274 16.704 -5.701 362 HG2 MET 46 HG2 MET 46 -10.817 14.376 -4.541 363 HG3 MET 46 HG3 MET 46 -9.162 14.862 -4.178 364 HE1 MET 46 HE1 MET 46 -11.113 14.502 -1.534 365 HE2 MET 46 HE2 MET 46 -12.159 14.349 -2.943 366 HE3 MET 46 HE3 MET 46 -12.546 15.527 -1.695 367 H SER 47 H SER 47 -11.902 15.774 -8.208 368 HA SER 47 HA SER 47 -10.690 17.597 -9.948 369 HB2 SER 47 HB2 SER 47 -13.114 15.890 -10.541 370 HB3 SER 47 HB3 SER 47 -11.963 16.535 -11.706 371 HG SER 47 HG SER 47 -11.404 14.709 -9.600 372 H GLU 48 H GLU 48 -13.944 17.564 -8.568 373 HA GLU 48 HA GLU 48 -15.127 19.518 -10.194 374 HB2 GLU 48 HB2 GLU 48 -16.309 18.066 -8.516 375 HB3 GLU 48 HB3 GLU 48 -15.660 19.101 -7.245 376 HG2 GLU 48 HG2 GLU 48 -16.863 20.698 -9.352 377 HG3 GLU 48 HG3 GLU 48 -18.017 19.523 -8.723 378 H CYS 49 H CYS 49 -13.390 19.889 -7.097 379 HA CYS 49 HA CYS 49 -13.601 22.733 -7.049 380 HB2 CYS 49 HB2 CYS 49 -12.476 20.665 -5.385 381 HB3 CYS 49 HB3 CYS 49 -11.305 21.967 -5.586 382 H CYS 50 H CYS 50 -10.955 20.517 -7.921 383 HA CYS 50 HA CYS 50 -9.001 22.364 -8.615 384 HB2 CYS 50 HB2 CYS 50 -8.778 19.844 -8.481 385 HB3 CYS 50 HB3 CYS 50 -9.483 19.782 -10.099 386 H GLU 51 H GLU 51 -11.756 21.227 -10.499 387 HA GLU 51 HA GLU 51 -10.992 22.153 -13.021 388 HB2 GLU 51 HB2 GLU 51 -12.968 20.692 -12.527 389 HB3 GLU 51 HB3 GLU 51 -13.810 22.118 -11.924 390 HG2 GLU 51 HG2 GLU 51 -14.451 21.796 -14.237 391 HG3 GLU 51 HG3 GLU 51 -13.417 23.220 -14.148 392 H GLN 52 H GLN 52 -12.549 23.873 -10.340 393 HA GLN 52 HA GLN 52 -13.252 26.216 -11.699 394 HB2 GLN 52 HB2 GLN 52 -13.764 25.467 -9.265 395 HB3 GLN 52 HB3 GLN 52 -12.250 26.282 -8.872 396 HG2 GLN 52 HG2 GLN 52 -13.796 28.018 -8.630 397 HG3 GLN 52 HG3 GLN 52 -13.250 28.248 -10.290 398 HE21 GLN 52 HE21 GLN 52 -14.832 28.126 -11.928 399 HE22 GLN 52 HE22 GLN 52 -16.435 27.632 -11.664 400 H LEU 53 H LEU 53 -10.252 25.526 -9.876 401 HA LEU 53 HA LEU 53 -8.909 27.956 -10.401 402 HB2 LEU 53 HB2 LEU 53 -7.610 25.223 -10.207 403 HB3 LEU 53 HB3 LEU 53 -6.869 26.772 -9.853 404 HG LEU 53 HG LEU 53 -7.394 25.883 -7.727 405 HD11 LEU 53 HD11 LEU 53 -8.281 28.233 -8.169 406 HD12 LEU 53 HD12 LEU 53 -9.032 27.377 -6.824 407 HD13 LEU 53 HD13 LEU 53 -9.873 27.500 -8.369 408 HD21 LEU 53 HD21 LEU 53 -10.243 25.325 -8.131 409 HD22 LEU 53 HD22 LEU 53 -8.992 24.308 -7.417 410 HD23 LEU 53 HD23 LEU 53 -9.205 24.348 -9.164 411 H GLU 54 H GLU 54 -8.865 24.848 -11.929 412 HA GLU 54 HA GLU 54 -7.146 25.241 -14.043 413 HB2 GLU 54 HB2 GLU 54 -7.838 23.087 -13.475 414 HB3 GLU 54 HB3 GLU 54 -9.546 23.500 -13.553 415 HG2 GLU 54 HG2 GLU 54 -9.273 23.862 -16.035 416 HG3 GLU 54 HG3 GLU 54 -7.610 23.300 -15.894 417 H GLY 55 H GLY 55 -10.500 26.214 -13.667 418 HA2 GLY 55 HA2 GLY 55 -10.629 27.154 -16.453 419 HA3 GLY 55 HA3 GLY 55 -11.986 27.043 -15.331 420 H MET 56 H MET 56 -9.717 28.277 -13.434 421 HA MET 56 HA MET 56 -10.686 31.004 -13.730 422 HB2 MET 56 HB2 MET 56 -10.610 30.167 -11.490 423 HB3 MET 56 HB3 MET 56 -8.941 29.636 -11.677 424 HG2 MET 56 HG2 MET 56 -8.170 31.928 -11.849 425 HG3 MET 56 HG3 MET 56 -9.827 32.528 -11.852 426 HE1 MET 56 HE1 MET 56 -11.179 32.514 -8.608 427 HE2 MET 56 HE2 MET 56 -11.313 30.868 -9.220 428 HE3 MET 56 HE3 MET 56 -11.416 32.225 -10.337 429 H ASP 57 H ASP 57 -9.362 32.838 -13.990 430 HA ASP 57 HA ASP 57 -7.391 32.721 -15.952 431 HB2 ASP 57 HB2 ASP 57 -7.762 34.810 -13.794 432 HB3 ASP 57 HB3 ASP 57 -6.813 35.024 -15.262 433 H GLU 58 H GLU 58 -5.150 32.723 -15.945 434 HA GLU 58 HA GLU 58 -3.818 31.179 -14.055 435 HB2 GLU 58 HB2 GLU 58 -2.882 31.484 -16.248 436 HB3 GLU 58 HB3 GLU 58 -2.724 33.224 -15.991 437 HG2 GLU 58 HG2 GLU 58 -1.161 32.811 -14.131 438 HG3 GLU 58 HG3 GLU 58 -1.307 31.076 -14.393 439 H SER 59 H SER 59 -3.584 34.725 -14.448 440 HA SER 59 HA SER 59 -1.950 35.234 -12.244 441 HB2 SER 59 HB2 SER 59 -2.400 36.975 -13.855 442 HB3 SER 59 HB3 SER 59 -4.125 36.923 -13.502 443 HG SER 59 HG SER 59 -3.685 37.693 -11.440 444 H CYS 60 H CYS 60 -5.385 34.733 -12.488 445 HA CYS 60 HA CYS 60 -5.999 35.502 -9.789 446 HB2 CYS 60 HB2 CYS 60 -7.617 33.883 -11.766 447 HB3 CYS 60 HB3 CYS 60 -8.226 34.603 -10.276 448 H ARG 61 H ARG 61 -4.945 32.603 -11.360 449 HA ARG 61 HA ARG 61 -5.851 30.690 -9.499 450 HB2 ARG 61 HB2 ARG 61 -4.903 30.216 -11.779 451 HB3 ARG 61 HB3 ARG 61 -3.305 30.575 -11.129 452 HG2 ARG 61 HG2 ARG 61 -3.682 28.798 -9.390 453 HG3 ARG 61 HG3 ARG 61 -5.181 28.375 -10.218 454 HD2 ARG 61 HD2 ARG 61 -2.389 28.284 -11.395 455 HD3 ARG 61 HD3 ARG 61 -3.395 26.898 -10.984 456 HE ARG 61 HE ARG 61 -3.671 28.618 -13.316 457 HH11 ARG 61 HH21 ARG 61 -5.106 26.259 -11.220 458 HH12 ARG 61 HH22 ARG 61 -6.286 25.751 -12.380 459 HH21 ARG 61 HH11 ARG 61 -5.217 27.960 -14.829 460 HH22 ARG 61 HH12 ARG 61 -6.351 26.716 -14.423 461 H CYS 62 H CYS 62 -2.842 32.587 -9.661 462 HA CYS 62 HA CYS 62 -1.519 31.384 -7.489 463 HB2 CYS 62 HB2 CYS 62 -1.205 34.319 -7.965 464 HB3 CYS 62 HB3 CYS 62 0.025 33.091 -7.674 465 H GLU 63 H GLU 63 -3.285 34.480 -7.533 466 HA GLU 63 HA GLU 63 -3.318 34.891 -4.755 467 HB2 GLU 63 HB2 GLU 63 -3.805 36.625 -6.479 468 HB3 GLU 63 HB3 GLU 63 -5.360 35.851 -6.771 469 HG2 GLU 63 HG2 GLU 63 -5.947 36.180 -4.375 470 HG3 GLU 63 HG3 GLU 63 -4.415 37.015 -4.133 471 H GLY 64 H GLY 64 -5.514 33.132 -6.868 472 HA2 GLY 64 HA2 GLY 64 -7.752 32.844 -5.295 473 HA3 GLY 64 HA3 GLY 64 -7.174 31.610 -6.404 474 H LEU 65 H LEU 65 -5.124 30.417 -5.426 475 HA LEU 65 HA LEU 65 -6.029 28.886 -3.274 476 HB2 LEU 65 HB2 LEU 65 -3.212 29.263 -4.307 477 HB3 LEU 65 HB3 LEU 65 -3.709 27.997 -3.180 478 HG LEU 65 HG LEU 65 -4.801 28.415 -5.983 479 HD11 LEU 65 HD11 LEU 65 -3.711 26.252 -6.445 480 HD12 LEU 65 HD12 LEU 65 -3.087 26.208 -4.796 481 HD13 LEU 65 HD13 LEU 65 -2.528 27.449 -5.919 482 HD21 LEU 65 HD21 LEU 65 -5.581 26.617 -3.695 483 HD22 LEU 65 HD22 LEU 65 -5.791 26.054 -5.353 484 HD23 LEU 65 HD23 LEU 65 -6.617 27.513 -4.805 485 H ARG 66 H ARG 66 -3.812 31.669 -3.274 486 HA ARG 66 HA ARG 66 -2.966 31.520 -0.612 487 HB2 ARG 66 HB2 ARG 66 -3.477 33.954 -2.343 488 HB3 ARG 66 HB3 ARG 66 -2.630 33.992 -0.796 489 HG2 ARG 66 HG2 ARG 66 -0.964 32.383 -1.680 490 HG3 ARG 66 HG3 ARG 66 -1.796 32.388 -3.234 491 HD2 ARG 66 HD2 ARG 66 0.040 33.937 -3.406 492 HD3 ARG 66 HD3 ARG 66 -1.441 34.885 -3.323 493 HE ARG 66 HE ARG 66 -0.730 35.723 -1.275 494 HH11 ARG 66 HH21 ARG 66 1.101 32.913 -2.156 495 HH12 ARG 66 HH22 ARG 66 2.239 33.086 -0.862 496 HH21 ARG 66 HH11 ARG 66 0.760 35.946 0.418 497 HH22 ARG 66 HH12 ARG 66 2.046 34.800 0.593 498 H MET 67 H MET 67 -5.586 33.584 -1.892 499 HA MET 67 HA MET 67 -6.650 34.314 0.612 500 HB2 MET 67 HB2 MET 67 -7.350 35.680 -1.136 501 HB3 MET 67 HB3 MET 67 -7.683 34.318 -2.204 502 HG2 MET 67 HG2 MET 67 -9.657 33.719 -0.947 503 HG3 MET 67 HG3 MET 67 -9.277 34.901 0.308 504 HE1 MET 67 HE1 MET 67 -10.043 38.223 -0.905 505 HE2 MET 67 HE2 MET 67 -8.477 37.692 -1.512 506 HE3 MET 67 HE3 MET 67 -9.022 37.165 0.078 507 H MET 68 H MET 68 -7.463 31.702 -1.614 508 HA MET 68 HA MET 68 -9.739 30.703 -0.357 509 HB2 MET 68 HB2 MET 68 -9.057 30.024 -2.577 510 HB3 MET 68 HB3 MET 68 -7.600 29.272 -1.936 511 HG2 MET 68 HG2 MET 68 -9.009 27.706 -0.624 512 HG3 MET 68 HG3 MET 68 -10.451 28.428 -1.341 513 HE1 MET 68 HE1 MET 68 -9.256 28.958 -4.476 514 HE2 MET 68 HE2 MET 68 -10.822 28.736 -3.699 515 HE3 MET 68 HE3 MET 68 -10.326 27.648 -4.992 516 H MET 69 H MET 69 -6.313 29.996 0.283 517 HA MET 69 HA MET 69 -6.536 27.810 1.950 518 HB2 MET 69 HB2 MET 69 -4.398 28.887 1.236 519 HB3 MET 69 HB3 MET 69 -4.693 30.166 2.413 520 HG2 MET 69 HG2 MET 69 -4.786 28.430 4.212 521 HG3 MET 69 HG3 MET 69 -4.358 27.211 3.011 522 HE1 MET 69 HE1 MET 69 -1.837 30.507 4.866 523 HE2 MET 69 HE2 MET 69 -3.561 30.177 5.026 524 HE3 MET 69 HE3 MET 69 -2.959 31.015 3.596 525 H ARG 70 H ARG 70 -6.390 31.188 3.109 526 HA ARG 70 HA ARG 70 -7.140 30.626 5.759 527 HB2 ARG 70 HB2 ARG 70 -6.075 32.740 4.987 528 HB3 ARG 70 HB3 ARG 70 -7.598 33.195 4.226 529 HG2 ARG 70 HG2 ARG 70 -8.729 33.056 6.429 530 HG3 ARG 70 HG3 ARG 70 -7.187 32.645 7.181 531 HD2 ARG 70 HD2 ARG 70 -6.252 34.803 6.339 532 HD3 ARG 70 HD3 ARG 70 -7.850 35.217 5.722 533 HE ARG 70 HE ARG 70 -8.120 34.572 8.442 534 HH11 ARG 70 HH21 ARG 70 -6.613 36.935 6.403 535 HH12 ARG 70 HH22 ARG 70 -6.704 38.204 7.578 536 HH21 ARG 70 HH11 ARG 70 -8.239 36.234 9.981 537 HH22 ARG 70 HH12 ARG 70 -7.624 37.808 9.601 538 H MET 71 H MET 71 -9.095 31.528 2.940 539 HA MET 71 HA MET 71 -11.553 31.855 4.264 540 HB2 MET 71 HB2 MET 71 -11.011 32.581 1.917 541 HB3 MET 71 HB3 MET 71 -11.155 30.893 1.425 542 HG2 MET 71 HG2 MET 71 -13.295 31.870 1.013 543 HG3 MET 71 HG3 MET 71 -13.482 30.927 2.491 544 HE1 MET 71 HE1 MET 71 -14.567 35.136 1.844 545 HE2 MET 71 HE2 MET 71 -14.994 33.608 1.080 546 HE3 MET 71 HE3 MET 71 -13.412 34.322 0.780 547 H MET 72 H MET 72 -9.978 29.010 2.884 548 HA MET 72 HA MET 72 -12.117 27.240 2.983 549 HB2 MET 72 HB2 MET 72 -9.145 26.874 3.187 550 HB3 MET 72 HB3 MET 72 -10.228 25.494 3.349 551 HG2 MET 72 HG2 MET 72 -10.302 27.418 1.010 552 HG3 MET 72 HG3 MET 72 -9.422 25.891 0.993 553 HE1 MET 72 HE1 MET 72 -11.768 23.926 2.754 554 HE2 MET 72 HE2 MET 72 -10.290 23.863 1.799 555 HE3 MET 72 HE3 MET 72 -11.772 23.156 1.163 556 H GLN 73 H GLN 73 -9.595 27.754 5.447 557 HA GLN 73 HA GLN 73 -10.660 26.020 7.382 558 HB2 GLN 73 HB2 GLN 73 -9.033 28.537 7.795 559 HB3 GLN 73 HB3 GLN 73 -9.268 27.262 8.988 560 HG2 GLN 73 HG2 GLN 73 -7.878 27.017 6.306 561 HG3 GLN 73 HG3 GLN 73 -7.133 26.901 7.899 562 HE21 GLN 73 HE21 GLN 73 -8.592 25.080 5.399 563 HE22 GLN 73 HE22 GLN 73 -8.788 23.632 6.258 564 H GLN 74 H GLN 74 -11.213 29.459 6.787 565 HA GLN 74 HA GLN 74 -12.799 30.003 9.029 566 HB2 GLN 74 HB2 GLN 74 -12.049 31.888 7.898 567 HB3 GLN 74 HB3 GLN 74 -12.527 31.257 6.324 568 HG2 GLN 74 HG2 GLN 74 -14.766 31.511 8.209 569 HG3 GLN 74 HG3 GLN 74 -13.996 33.053 7.824 570 HE21 GLN 74 HE21 GLN 74 -13.882 30.459 5.465 571 HE22 GLN 74 HE22 GLN 74 -15.007 31.130 4.397 572 H LYS 75 H LYS 75 -13.704 28.761 5.838 573 HA LYS 75 HA LYS 75 -16.471 28.997 6.061 574 HB2 LYS 75 HB2 LYS 75 -15.230 28.337 4.000 575 HB3 LYS 75 HB3 LYS 75 -14.961 26.748 4.711 576 HG2 LYS 75 HG2 LYS 75 -16.890 26.487 3.345 577 HG3 LYS 75 HG3 LYS 75 -17.514 26.613 4.988 578 HD2 LYS 75 HD2 LYS 75 -18.007 28.991 4.649 579 HD3 LYS 75 HD3 LYS 75 -17.311 28.924 3.030 580 HE2 LYS 75 HE2 LYS 75 -19.644 27.202 3.910 581 HE3 LYS 75 HE3 LYS 75 -19.836 28.755 3.098 582 HZ1 LYS 75 HZ1 LYS 75 -19.833 27.341 1.326 583 HZ2 LYS 75 HZ2 LYS 75 -18.778 26.227 2.056 584 HZ3 LYS 75 HZ3 LYS 75 -18.175 27.682 1.419 585 H GLU 76 H GLU 76 -14.372 26.323 7.092 586 HA GLU 76 HA GLU 76 -16.114 25.624 9.248 587 HB2 GLU 76 HB2 GLU 76 -17.355 24.691 7.245 588 HB3 GLU 76 HB3 GLU 76 -16.001 23.588 7.017 589 HG2 GLU 76 HG2 GLU 76 -17.658 22.424 8.324 590 HG3 GLU 76 HG3 GLU 76 -16.323 22.820 9.399 591 H MET 77 H MET 77 -13.704 26.130 9.827 592 HA MET 77 HA MET 77 -11.647 24.310 9.305 593 HB2 MET 77 HB2 MET 77 -11.345 26.519 10.420 594 HB3 MET 77 HB3 MET 77 -12.076 25.849 11.877 595 HG2 MET 77 HG2 MET 77 -10.299 24.103 11.931 596 HG3 MET 77 HG3 MET 77 -9.548 24.857 10.525 597 HE1 MET 77 HE1 MET 77 -7.958 24.295 13.050 598 HE2 MET 77 HE2 MET 77 -7.082 25.799 13.323 599 HE3 MET 77 HE3 MET 77 -7.279 25.187 11.683 600 H GLN 78 H GLN 78 -12.368 22.159 9.382 601 HA GLN 78 HA GLN 78 -13.801 20.947 11.466 602 HB2 GLN 78 HB2 GLN 78 -11.820 19.899 9.451 603 HB3 GLN 78 HB3 GLN 78 -12.507 18.838 10.678 604 HG2 GLN 78 HG2 GLN 78 -14.322 18.588 9.373 605 HG3 GLN 78 HG3 GLN 78 -14.685 20.294 9.626 606 HE21 GLN 78 HE21 GLN 78 -15.177 21.122 7.579 607 HE22 GLN 78 HE22 GLN 78 -14.231 20.879 6.190 608 HA PRO 79 HA PRO 79 -10.558 20.846 14.511 609 HB2 PRO 79 HB2 PRO 79 -11.807 19.530 16.466 610 HB3 PRO 79 HB3 PRO 79 -12.434 21.090 15.892 611 HG2 PRO 79 HG2 PRO 79 -13.421 18.345 15.362 612 HG3 PRO 79 HG3 PRO 79 -14.323 19.858 15.539 613 HD2 PRO 79 HD2 PRO 79 -13.551 18.615 13.092 614 HD3 PRO 79 HD3 PRO 79 -14.261 20.234 13.285 615 H ARG 80 H ARG 80 -8.848 19.659 13.964 616 HA ARG 80 HA ARG 80 -8.409 17.117 15.026 617 HB2 ARG 80 HB2 ARG 80 -9.896 16.788 12.784 618 HB3 ARG 80 HB3 ARG 80 -8.274 16.767 12.087 619 HG2 ARG 80 HG2 ARG 80 -7.603 14.915 13.389 620 HG3 ARG 80 HG3 ARG 80 -8.919 15.132 14.542 621 HD2 ARG 80 HD2 ARG 80 -9.298 14.327 11.645 622 HD3 ARG 80 HD3 ARG 80 -9.284 13.203 12.997 623 HE ARG 80 HE ARG 80 -11.182 15.188 13.563 624 HH11 ARG 80 HH21 ARG 80 -10.595 12.649 11.277 625 HH12 ARG 80 HH22 ARG 80 -12.274 12.339 10.986 626 HH21 ARG 80 HH11 ARG 80 -13.381 14.781 13.183 627 HH22 ARG 80 HH12 ARG 80 -13.848 13.545 12.064 628 H GLY 81 H GLY 81 -6.191 16.778 15.135 629 HA2 GLY 81 HA2 GLY 81 -4.557 18.925 14.025 630 HA3 GLY 81 HA3 GLY 81 -4.048 17.735 15.212 631 H GLU 82 H GLU 82 -3.810 15.465 14.362 632 HA GLU 82 HA GLU 82 -1.909 15.406 12.316 633 HB2 GLU 82 HB2 GLU 82 -3.557 13.176 13.514 634 HB3 GLU 82 HB3 GLU 82 -2.188 12.923 12.432 635 HG2 GLU 82 HG2 GLU 82 -1.223 12.766 14.577 636 HG3 GLU 82 HG3 GLU 82 -0.857 14.413 14.078 637 H GLN 83 H GLN 83 -5.378 14.601 12.145 638 HA GLN 83 HA GLN 83 -5.364 13.461 9.589 639 HB2 GLN 83 HB2 GLN 83 -7.269 13.353 11.146 640 HB3 GLN 83 HB3 GLN 83 -7.567 15.070 10.886 641 HG2 GLN 83 HG2 GLN 83 -9.060 13.816 9.446 642 HG3 GLN 83 HG3 GLN 83 -7.844 14.594 8.438 643 HE21 GLN 83 HE21 GLN 83 -7.758 13.051 6.737 644 HE22 GLN 83 HE22 GLN 83 -7.289 11.439 6.970 645 H MET 84 H MET 84 -6.517 16.768 10.324 646 HA MET 84 HA MET 84 -6.543 17.591 7.633 647 HB2 MET 84 HB2 MET 84 -6.519 19.120 10.224 648 HB3 MET 84 HB3 MET 84 -6.570 19.928 8.655 649 HG2 MET 84 HG2 MET 84 -8.605 18.624 8.064 650 HG3 MET 84 HG3 MET 84 -8.568 17.864 9.653 651 HE1 MET 84 HE1 MET 84 -7.923 21.606 8.380 652 HE2 MET 84 HE2 MET 84 -9.577 22.189 8.554 653 HE3 MET 84 HE3 MET 84 -9.239 20.829 7.488 654 H ARG 85 H ARG 85 -3.992 17.748 10.075 655 HA ARG 85 HA ARG 85 -2.251 19.549 8.869 656 HB2 ARG 85 HB2 ARG 85 -1.861 18.532 11.086 657 HB3 ARG 85 HB3 ARG 85 -1.516 16.986 10.312 658 HG2 ARG 85 HG2 ARG 85 0.375 18.027 9.096 659 HG3 ARG 85 HG3 ARG 85 0.033 19.563 9.895 660 HD2 ARG 85 HD2 ARG 85 1.809 18.467 11.119 661 HD3 ARG 85 HD3 ARG 85 0.350 18.410 12.103 662 HE ARG 85 HE ARG 85 0.900 16.087 10.401 663 HH11 ARG 85 HH21 ARG 85 0.970 17.580 13.533 664 HH12 ARG 85 HH22 ARG 85 1.092 16.080 14.390 665 HH21 ARG 85 HH11 ARG 85 1.059 14.129 11.526 666 HH22 ARG 85 HH12 ARG 85 1.143 14.130 13.256 667 H ARG 86 H ARG 86 -2.437 16.022 8.375 668 HA ARG 86 HA ARG 86 -0.473 15.872 6.354 669 HB2 ARG 86 HB2 ARG 86 -2.880 14.117 6.906 670 HB3 ARG 86 HB3 ARG 86 -1.602 13.716 5.757 671 HG2 ARG 86 HG2 ARG 86 0.069 13.846 7.580 672 HG3 ARG 86 HG3 ARG 86 -1.218 14.215 8.726 673 HD2 ARG 86 HD2 ARG 86 -0.769 11.850 8.884 674 HD3 ARG 86 HD3 ARG 86 -2.319 12.044 8.073 675 HE ARG 86 HE ARG 86 -1.371 11.138 6.154 676 HH11 ARG 86 HH21 ARG 86 1.088 12.112 8.396 677 HH12 ARG 86 HH22 ARG 86 2.381 11.395 7.495 678 HH21 ARG 86 HH11 ARG 86 0.322 10.201 4.976 679 HH22 ARG 86 HH12 ARG 86 1.948 10.314 5.562 680 H MET 87 H MET 87 -3.945 16.475 6.269 681 HA MET 87 HA MET 87 -4.396 16.286 3.526 682 HB2 MET 87 HB2 MET 87 -6.047 16.715 5.525 683 HB3 MET 87 HB3 MET 87 -5.801 18.409 5.092 684 HG2 MET 87 HG2 MET 87 -6.238 17.606 2.649 685 HG3 MET 87 HG3 MET 87 -6.948 16.186 3.409 686 HE1 MET 87 HE1 MET 87 -9.557 17.696 5.787 687 HE2 MET 87 HE2 MET 87 -8.003 18.411 6.205 688 HE3 MET 87 HE3 MET 87 -8.086 16.717 5.743 689 H MET 88 H MET 88 -2.857 18.878 5.354 690 HA MET 88 HA MET 88 -3.175 21.028 3.652 691 HB2 MET 88 HB2 MET 88 -0.670 20.175 5.125 692 HB3 MET 88 HB3 MET 88 -0.878 21.749 4.358 693 HG2 MET 88 HG2 MET 88 -2.978 22.031 5.766 694 HG3 MET 88 HG3 MET 88 -2.477 20.594 6.657 695 HE1 MET 88 HE1 MET 88 0.948 21.568 8.133 696 HE2 MET 88 HE2 MET 88 0.730 20.903 6.516 697 HE3 MET 88 HE3 MET 88 -0.259 20.308 7.847 698 H ARG 89 H ARG 89 -0.743 18.434 3.401 699 HA ARG 89 HA ARG 89 0.414 19.306 0.967 700 HB2 ARG 89 HB2 ARG 89 0.177 16.490 2.071 701 HB3 ARG 89 HB3 ARG 89 1.277 17.006 0.791 702 HG2 ARG 89 HG2 ARG 89 1.275 18.169 3.592 703 HG3 ARG 89 HG3 ARG 89 2.357 16.883 3.060 704 HD2 ARG 89 HD2 ARG 89 3.198 18.387 1.256 705 HD3 ARG 89 HD3 ARG 89 2.185 19.678 1.894 706 HE ARG 89 HE ARG 89 4.683 18.750 2.996 707 HH11 ARG 89 HH21 ARG 89 1.618 20.226 3.672 708 HH12 ARG 89 HH22 ARG 89 2.175 21.045 5.093 709 HH21 ARG 89 HH11 ARG 89 5.411 19.824 4.856 710 HH22 ARG 89 HH12 ARG 89 4.320 20.819 5.761 711 H LEU 90 H LEU 90 -2.271 17.161 1.744 712 HA LEU 90 HA LEU 90 -2.883 16.193 -0.813 713 HB2 LEU 90 HB2 LEU 90 -3.812 15.270 1.263 714 HB3 LEU 90 HB3 LEU 90 -4.711 16.761 1.531 715 HG LEU 90 HG LEU 90 -5.707 16.300 -0.840 716 HD11 LEU 90 HD11 LEU 90 -5.851 13.875 -1.327 717 HD12 LEU 90 HD12 LEU 90 -4.730 13.558 -0.002 718 HD13 LEU 90 HD13 LEU 90 -4.192 14.465 -1.417 719 HD21 LEU 90 HD21 LEU 90 -6.383 14.657 1.615 720 HD22 LEU 90 HD22 LEU 90 -7.445 14.841 0.219 721 HD23 LEU 90 HD23 LEU 90 -7.028 16.243 1.199 722 H ALA 91 H ALA 91 -3.991 19.104 0.891 723 HA ALA 91 HA ALA 91 -5.929 19.963 -0.918 724 HB1 ALA 91 HB1 ALA 91 -5.469 20.955 1.334 725 HB2 ALA 91 HB2 ALA 91 -5.659 22.154 0.055 726 HB3 ALA 91 HB3 ALA 91 -4.049 21.742 0.646 727 H GLU 92 H GLU 92 -2.467 20.799 -0.806 728 HA GLU 92 HA GLU 92 -2.413 22.400 -3.128 729 HB2 GLU 92 HB2 GLU 92 -0.599 22.359 -1.460 730 HB3 GLU 92 HB3 GLU 92 -0.202 20.707 -1.931 731 HG2 GLU 92 HG2 GLU 92 -0.341 22.674 -4.150 732 HG3 GLU 92 HG3 GLU 92 0.987 22.899 -3.015 733 H ASN 93 H ASN 93 -2.309 18.922 -2.692 734 HA ASN 93 HA ASN 93 -1.321 18.267 -5.279 735 HB2 ASN 93 HB2 ASN 93 -2.985 16.640 -3.344 736 HB3 ASN 93 HB3 ASN 93 -2.187 15.999 -4.779 737 HD21 ASN 93 HD21 ASN 93 -1.542 15.117 -2.096 738 HD22 ASN 93 HD22 ASN 93 0.058 15.581 -1.774 739 H ILE 94 H ILE 94 -4.559 18.861 -4.006 740 HA ILE 94 HA ILE 94 -6.117 17.783 -6.034 741 HB ILE 94 HB ILE 94 -6.500 20.168 -4.239 742 HG12 ILE 94 HG12 ILE 94 -7.960 17.522 -4.476 743 HG13 ILE 94 HG13 ILE 94 -6.615 17.811 -3.373 744 HG21 ILE 94 HG21 ILE 94 -8.894 20.158 -5.063 745 HG22 ILE 94 HG22 ILE 94 -8.358 19.147 -6.403 746 HG23 ILE 94 HG23 ILE 94 -7.725 20.782 -6.226 747 HD11 ILE 94 HD11 ILE 94 -8.794 18.106 -2.238 748 HD12 ILE 94 HD12 ILE 94 -9.220 19.366 -3.395 749 HD13 ILE 94 HD13 ILE 94 -7.878 19.612 -2.276 750 HA PRO 95 HA PRO 95 -5.766 21.854 -8.581 751 HB2 PRO 95 HB2 PRO 95 -3.849 23.665 -7.833 752 HB3 PRO 95 HB3 PRO 95 -5.519 23.707 -7.235 753 HG2 PRO 95 HG2 PRO 95 -3.062 22.662 -5.928 754 HG3 PRO 95 HG3 PRO 95 -4.414 23.573 -5.232 755 HD2 PRO 95 HD2 PRO 95 -4.164 20.871 -4.952 756 HD3 PRO 95 HD3 PRO 95 -5.734 21.698 -4.986 757 H SER 96 H SER 96 -2.956 20.282 -7.279 758 HA SER 96 HA SER 96 -1.021 20.910 -9.234 759 HB2 SER 96 HB2 SER 96 -0.595 19.758 -7.018 760 HB3 SER 96 HB3 SER 96 -1.255 18.292 -7.737 761 HG SER 96 HG SER 96 0.884 19.811 -8.824 762 H ARG 97 H ARG 97 -3.504 18.547 -8.943 763 HA ARG 97 HA ARG 97 -2.973 16.844 -11.050 764 HB2 ARG 97 HB2 ARG 97 -5.503 17.780 -9.729 765 HB3 ARG 97 HB3 ARG 97 -5.499 16.564 -10.971 766 HG2 ARG 97 HG2 ARG 97 -3.827 15.255 -9.624 767 HG3 ARG 97 HG3 ARG 97 -4.044 16.436 -8.335 768 HD2 ARG 97 HD2 ARG 97 -6.217 14.688 -9.521 769 HD3 ARG 97 HD3 ARG 97 -5.461 14.468 -7.948 770 HE ARG 97 HE ARG 97 -6.619 16.385 -7.158 771 HH11 ARG 97 HH21 ARG 97 -7.263 15.664 -10.494 772 HH12 ARG 97 HH22 ARG 97 -8.685 16.650 -10.566 773 HH21 ARG 97 HH11 ARG 97 -8.476 17.664 -7.261 774 HH22 ARG 97 HH12 ARG 97 -9.368 17.781 -8.740 775 H CYS 98 H CYS 98 -4.734 19.953 -11.082 776 HA CYS 98 HA CYS 98 -4.945 19.737 -14.012 777 HB2 CYS 98 HB2 CYS 98 -6.231 21.972 -12.522 778 HB3 CYS 98 HB3 CYS 98 -6.773 21.116 -13.961 779 H ASN 99 H ASN 99 -2.963 20.999 -11.653 780 HA ASN 99 HA ASN 99 -2.545 23.600 -12.502 781 HB2 ASN 99 HB2 ASN 99 -0.734 21.662 -11.148 782 HB3 ASN 99 HB3 ASN 99 -0.089 23.157 -11.846 783 HD21 ASN 99 HD21 ASN 99 -2.334 24.868 -11.390 784 HD22 ASN 99 HD22 ASN 99 -2.502 25.091 -9.716 785 H LEU 100 H LEU 100 -1.041 24.540 -13.706 786 HA LEU 100 HA LEU 100 0.136 23.017 -15.922 787 HB2 LEU 100 HB2 LEU 100 -1.128 25.198 -17.117 788 HB3 LEU 100 HB3 LEU 100 -1.692 23.525 -17.158 789 HG LEU 100 HG LEU 100 -2.728 24.106 -14.786 790 HD11 LEU 100 HD11 LEU 100 -1.844 26.715 -15.823 791 HD12 LEU 100 HD12 LEU 100 -2.179 26.203 -14.170 792 HD13 LEU 100 HD13 LEU 100 -3.504 26.670 -15.234 793 HD21 LEU 100 HD21 LEU 100 -3.919 25.192 -17.330 794 HD22 LEU 100 HD22 LEU 100 -4.792 24.827 -15.840 795 HD23 LEU 100 HD23 LEU 100 -4.035 23.527 -16.759 796 H SER 101 H SER 101 1.984 23.907 -16.653 797 HA SER 101 HA SER 101 3.564 25.643 -15.299 798 HB2 SER 101 HB2 SER 101 3.457 25.258 -18.296 799 HB3 SER 101 HB3 SER 101 4.787 26.022 -17.430 800 HG SER 101 HG SER 101 4.843 24.008 -16.175 801 HA PRO 102 HA PRO 102 1.153 29.398 -16.170 802 HB2 PRO 102 HB2 PRO 102 2.033 30.374 -13.589 803 HB3 PRO 102 HB3 PRO 102 0.411 29.844 -14.065 804 HG2 PRO 102 HG2 PRO 102 1.969 28.507 -12.269 805 HG3 PRO 102 HG3 PRO 102 0.720 27.734 -13.264 806 HD2 PRO 102 HD2 PRO 102 3.694 27.813 -13.724 807 HD3 PRO 102 HD3 PRO 102 2.559 26.447 -13.885 808 H MET 103 H MET 103 1.909 31.302 -17.053 809 HA MET 103 HA MET 103 4.688 31.590 -17.531 810 HB2 MET 103 HB2 MET 103 2.893 32.423 -19.046 811 HB3 MET 103 HB3 MET 103 2.520 33.676 -17.863 812 HG2 MET 103 HG2 MET 103 4.871 34.490 -18.029 813 HG3 MET 103 HG3 MET 103 5.171 33.289 -19.285 814 HE1 MET 103 HE1 MET 103 5.110 36.564 -21.316 815 HE2 MET 103 HE2 MET 103 5.961 35.062 -20.967 816 HE3 MET 103 HE3 MET 103 5.766 36.271 -19.700 817 H ARG 104 H ARG 104 2.486 33.727 -15.677 818 HA ARG 104 HA ARG 104 4.586 34.179 -13.707 819 HB2 ARG 104 HB2 ARG 104 4.005 36.071 -15.833 820 HB3 ARG 104 HB3 ARG 104 3.721 36.783 -14.245 821 HG2 ARG 104 HG2 ARG 104 6.255 35.293 -14.995 822 HG3 ARG 104 HG3 ARG 104 6.086 37.046 -15.079 823 HD2 ARG 104 HD2 ARG 104 5.974 35.281 -12.626 824 HD3 ARG 104 HD3 ARG 104 7.086 36.603 -12.960 825 HE ARG 104 HE ARG 104 4.465 36.832 -11.821 826 HH11 ARG 104 HH21 ARG 104 6.792 38.381 -13.875 827 HH12 ARG 104 HH22 ARG 104 6.213 39.980 -13.548 828 HH21 ARG 104 HH11 ARG 104 3.715 38.924 -11.391 829 HH22 ARG 104 HH12 ARG 104 4.474 40.287 -12.143 830 H CYS 105 H CYS 105 3.856 35.275 -11.811 831 HA CYS 105 HA CYS 105 0.913 35.247 -11.473 832 HB2 CYS 105 HB2 CYS 105 3.140 34.402 -9.633 833 HB3 CYS 105 HB3 CYS 105 1.596 34.945 -8.971 834 HA PRO 106 HA PRO 106 2.082 39.651 -11.120 835 HB2 PRO 106 HB2 PRO 106 -0.860 39.935 -11.143 836 HB3 PRO 106 HB3 PRO 106 0.360 40.729 -12.155 837 HG2 PRO 106 HG2 PRO 106 -1.223 38.806 -13.117 838 HG3 PRO 106 HG3 PRO 106 0.458 38.983 -13.644 839 HD2 PRO 106 HD2 PRO 106 -0.718 36.973 -11.752 840 HD3 PRO 106 HD3 PRO 106 0.585 36.775 -12.946 841 H MET 107 H MET 107 0.919 37.573 -8.933 842 HA MET 107 HA MET 107 -0.300 39.373 -7.065 843 HB2 MET 107 HB2 MET 107 0.844 36.629 -6.855 844 HB3 MET 107 HB3 MET 107 0.077 37.445 -5.493 845 HG2 MET 107 HG2 MET 107 -1.165 36.480 -8.057 846 HG3 MET 107 HG3 MET 107 -1.712 36.266 -6.399 847 HE1 MET 107 HE1 MET 107 -3.785 37.405 -8.843 848 HE2 MET 107 HE2 MET 107 -2.176 37.668 -9.511 849 HE3 MET 107 HE3 MET 107 -3.287 39.026 -9.348 850 H GLY 108 H GLY 108 0.887 40.968 -6.512 851 HA2 GLY 108 HA2 GLY 108 2.414 42.113 -5.222 852 HA3 GLY 108 HA3 GLY 108 3.096 40.577 -4.709 853 H GLY 109 H GLY 109 2.696 41.286 -8.080 854 HA2 GLY 109 HA2 GLY 109 4.210 41.470 -9.806 855 HA3 GLY 109 HA3 GLY 109 5.070 42.574 -8.739 856 H SER 110 H SER 110 4.480 39.045 -8.753 857 HA SER 110 HA SER 110 6.878 38.291 -7.553 858 HB2 SER 110 HB2 SER 110 5.332 36.736 -9.639 859 HB3 SER 110 HB3 SER 110 6.471 36.070 -8.472 860 HG SER 110 HG SER 110 4.034 37.425 -7.915 861 H ILE 111 H ILE 111 8.872 37.576 -8.345 862 HA ILE 111 HA ILE 111 9.481 38.314 -11.149 863 HB ILE 111 HB ILE 111 11.253 38.708 -8.721 864 HG12 ILE 111 HG12 ILE 111 9.956 40.750 -10.560 865 HG13 ILE 111 HG13 ILE 111 9.343 40.326 -8.959 866 HG21 ILE 111 HG21 ILE 111 12.733 39.863 -10.382 867 HG22 ILE 111 HG22 ILE 111 11.671 39.297 -11.670 868 HG23 ILE 111 HG23 ILE 111 12.569 38.135 -10.693 869 HD11 ILE 111 HD11 ILE 111 12.009 41.598 -9.626 870 HD12 ILE 111 HD12 ILE 111 11.619 40.951 -8.032 871 HD13 ILE 111 HD13 ILE 111 10.690 42.299 -8.688 872 H ALA 112 H ALA 112 10.653 36.460 -8.340 873 HA ALA 112 HA ALA 112 12.263 34.666 -9.865 874 HB1 ALA 112 HB1 ALA 112 12.508 33.447 -7.807 875 HB2 ALA 112 HB2 ALA 112 11.072 34.210 -7.122 876 HB3 ALA 112 HB3 ALA 112 12.532 35.161 -7.392 877 H GLY 113 H GLY 113 11.502 32.152 -8.978 878 HA2 GLY 113 HA2 GLY 113 9.193 31.761 -10.659 879 HA3 GLY 113 HA3 GLY 113 10.073 30.484 -9.797 880 H PHE 114 H PHE 114 7.531 32.773 -9.709 881 HA PHE 114 HA PHE 114 6.802 33.160 -7.153 882 HB2 PHE 114 HB2 PHE 114 4.403 33.031 -7.917 883 HB3 PHE 114 HB3 PHE 114 5.443 34.036 -8.927 884 HD1 PHE 114 HD1 PHE 114 6.229 33.223 -11.133 885 HD2 PHE 114 HD2 PHE 114 3.475 30.952 -8.741 886 HE1 PHE 114 HE1 PHE 114 5.666 31.829 -13.105 887 HE2 PHE 114 HE2 PHE 114 2.914 29.559 -10.713 888 HZ PHE 114 HZ PHE 114 4.009 29.997 -12.894 Start of MODEL 4 1 H1 GLU 1 H1 GLU 1 2.893 43.463 -6.702 2 H2 GLU 1 H2 GLU 1 2.140 43.848 -5.228 3 H3 GLU 1 H3 GLU 1 1.992 44.894 -6.559 4 HA GLU 1 HA GLU 1 1.102 42.178 -7.024 5 HB2 GLU 1 HB2 GLU 1 0.365 42.641 -4.668 6 HB3 GLU 1 HB3 GLU 1 -0.498 44.059 -5.264 7 HG2 GLU 1 HG2 GLU 1 -1.791 42.571 -6.805 8 HG3 GLU 1 HG3 GLU 1 -0.992 41.180 -6.077 9 H ALA 2 H ALA 2 0.065 42.243 -8.937 10 HA ALA 2 HA ALA 2 -0.134 44.640 -10.433 11 HB1 ALA 2 HB1 ALA 2 0.100 42.310 -11.373 12 HB2 ALA 2 HB2 ALA 2 -1.142 43.297 -12.146 13 HB3 ALA 2 HB3 ALA 2 -1.601 42.053 -10.982 14 H GLU 3 H GLU 3 -1.823 45.980 -10.870 15 HA GLU 3 HA GLU 3 -3.904 46.236 -8.982 16 HB2 GLU 3 HB2 GLU 3 -4.712 48.039 -10.335 17 HB3 GLU 3 HB3 GLU 3 -2.952 48.088 -10.401 18 HG2 GLU 3 HG2 GLU 3 -4.759 46.851 -12.505 19 HG3 GLU 3 HG3 GLU 3 -3.947 48.406 -12.644 20 H ALA 4 H ALA 4 -3.685 44.512 -12.004 21 HA ALA 4 HA ALA 4 -6.465 44.207 -12.479 22 HB1 ALA 4 HB1 ALA 4 -4.793 43.834 -14.241 23 HB2 ALA 4 HB2 ALA 4 -5.796 42.400 -14.014 24 HB3 ALA 4 HB3 ALA 4 -4.162 42.449 -13.350 25 H GLN 5 H GLN 5 -4.504 42.999 -10.086 26 HA GLN 5 HA GLN 5 -5.317 40.391 -9.628 27 HB2 GLN 5 HB2 GLN 5 -3.597 41.462 -8.306 28 HB3 GLN 5 HB3 GLN 5 -4.761 42.635 -7.689 29 HG2 GLN 5 HG2 GLN 5 -5.528 39.807 -7.281 30 HG3 GLN 5 HG3 GLN 5 -4.083 40.304 -6.406 31 HE21 GLN 5 HE21 GLN 5 -7.479 40.296 -6.256 32 HE22 GLN 5 HE22 GLN 5 -7.669 41.465 -5.040 33 H GLU 6 H GLU 6 -6.989 43.422 -8.967 34 HA GLU 6 HA GLU 6 -9.012 42.598 -7.273 35 HB2 GLU 6 HB2 GLU 6 -10.289 44.484 -8.088 36 HB3 GLU 6 HB3 GLU 6 -8.588 44.943 -8.013 37 HG2 GLU 6 HG2 GLU 6 -8.412 44.334 -10.465 38 HG3 GLU 6 HG3 GLU 6 -10.165 44.150 -10.477 39 H GLU 7 H GLU 7 -8.818 42.231 -10.797 40 HA GLU 7 HA GLU 7 -11.419 41.351 -11.313 41 HB2 GLU 7 HB2 GLU 7 -9.971 41.812 -13.170 42 HB3 GLU 7 HB3 GLU 7 -8.779 40.639 -12.612 43 HG2 GLU 7 HG2 GLU 7 -11.540 39.619 -13.094 44 HG3 GLU 7 HG3 GLU 7 -10.595 40.049 -14.516 45 H CYS 8 H CYS 8 -8.555 39.649 -10.188 46 HA CYS 8 HA CYS 8 -9.627 37.049 -10.289 47 HB2 CYS 8 HB2 CYS 8 -7.484 38.085 -8.429 48 HB3 CYS 8 HB3 CYS 8 -7.738 36.411 -8.918 49 H ARG 9 H ARG 9 -9.271 39.316 -7.557 50 HA ARG 9 HA ARG 9 -10.486 37.736 -5.594 51 HB2 ARG 9 HB2 ARG 9 -9.238 39.843 -5.156 52 HB3 ARG 9 HB3 ARG 9 -10.588 40.754 -5.832 53 HG2 ARG 9 HG2 ARG 9 -12.088 39.752 -4.113 54 HG3 ARG 9 HG3 ARG 9 -10.695 38.928 -3.411 55 HD2 ARG 9 HD2 ARG 9 -9.607 41.148 -3.066 56 HD3 ARG 9 HD3 ARG 9 -11.068 41.926 -3.665 57 HE ARG 9 HE ARG 9 -12.161 41.350 -1.666 58 HH11 ARG 9 HH21 ARG 9 -8.993 39.952 -1.877 59 HH12 ARG 9 HH22 ARG 9 -8.940 39.493 -0.208 60 HH21 ARG 9 HH11 ARG 9 -12.088 40.746 0.517 61 HH22 ARG 9 HH12 ARG 9 -10.689 39.942 1.144 62 H GLU 10 H GLU 10 -11.930 40.181 -7.746 63 HA GLU 10 HA GLU 10 -14.580 39.946 -6.816 64 HB2 GLU 10 HB2 GLU 10 -13.730 41.801 -8.240 65 HB3 GLU 10 HB3 GLU 10 -13.651 40.683 -9.601 66 HG2 GLU 10 HG2 GLU 10 -16.095 40.236 -9.321 67 HG3 GLU 10 HG3 GLU 10 -16.141 41.458 -8.052 68 H GLN 11 H GLN 11 -12.982 38.461 -9.623 69 HA GLN 11 HA GLN 11 -15.136 36.927 -10.540 70 HB2 GLN 11 HB2 GLN 11 -12.936 37.384 -11.719 71 HB3 GLN 11 HB3 GLN 11 -12.230 36.116 -10.717 72 HG2 GLN 11 HG2 GLN 11 -14.040 34.568 -11.566 73 HG3 GLN 11 HG3 GLN 11 -14.502 35.833 -12.700 74 HE21 GLN 11 HE21 GLN 11 -12.287 33.233 -12.161 75 HE22 GLN 11 HE22 GLN 11 -11.303 33.509 -13.516 76 H MET 12 H MET 12 -12.760 36.290 -8.023 77 HA MET 12 HA MET 12 -12.989 33.582 -7.647 78 HB2 MET 12 HB2 MET 12 -11.503 35.154 -6.362 79 HB3 MET 12 HB3 MET 12 -12.904 35.563 -5.370 80 HG2 MET 12 HG2 MET 12 -13.174 33.147 -4.811 81 HG3 MET 12 HG3 MET 12 -11.707 32.798 -5.726 82 HE1 MET 12 HE1 MET 12 -9.940 31.990 -3.200 83 HE2 MET 12 HE2 MET 12 -11.597 31.587 -3.644 84 HE3 MET 12 HE3 MET 12 -11.253 32.218 -2.035 85 H GLN 13 H GLN 13 -15.322 36.065 -6.645 86 HA GLN 13 HA GLN 13 -16.889 34.520 -4.922 87 HB2 GLN 13 HB2 GLN 13 -17.579 36.783 -6.788 88 HB3 GLN 13 HB3 GLN 13 -18.817 35.990 -5.820 89 HG2 GLN 13 HG2 GLN 13 -17.935 37.969 -4.652 90 HG3 GLN 13 HG3 GLN 13 -17.555 36.496 -3.766 91 HE21 GLN 13 HE21 GLN 13 -16.179 39.212 -5.492 92 HE22 GLN 13 HE22 GLN 13 -14.553 38.804 -5.226 93 H ARG 14 H ARG 14 -17.015 34.805 -8.450 94 HA ARG 14 HA ARG 14 -19.220 33.137 -8.921 95 HB2 ARG 14 HB2 ARG 14 -18.187 34.594 -10.658 96 HB3 ARG 14 HB3 ARG 14 -16.765 33.553 -10.658 97 HG2 ARG 14 HG2 ARG 14 -18.116 32.812 -12.486 98 HG3 ARG 14 HG3 ARG 14 -18.338 31.618 -11.209 99 HD2 ARG 14 HD2 ARG 14 -20.424 32.770 -10.518 100 HD3 ARG 14 HD3 ARG 14 -20.209 33.924 -11.830 101 HE ARG 14 HE ARG 14 -20.150 31.368 -12.964 102 HH11 ARG 14 HH21 ARG 14 -22.325 33.414 -11.204 103 HH12 ARG 14 HH22 ARG 14 -23.751 32.750 -11.930 104 HH21 ARG 14 HH11 ARG 14 -22.016 30.499 -13.915 105 HH22 ARG 14 HH12 ARG 14 -23.575 31.102 -13.463 106 H GLN 15 H GLN 15 -15.773 32.583 -8.525 107 HA GLN 15 HA GLN 15 -15.940 29.759 -8.925 108 HB2 GLN 15 HB2 GLN 15 -13.806 31.647 -7.951 109 HB3 GLN 15 HB3 GLN 15 -13.582 29.903 -7.857 110 HG2 GLN 15 HG2 GLN 15 -12.667 30.395 -9.954 111 HG3 GLN 15 HG3 GLN 15 -14.315 29.932 -10.372 112 HE21 GLN 15 HE21 GLN 15 -15.469 31.428 -11.599 113 HE22 GLN 15 HE22 GLN 15 -15.052 33.064 -11.769 114 H GLN 16 H GLN 16 -17.747 29.504 -7.458 115 HA GLN 16 HA GLN 16 -17.274 29.762 -4.607 116 HB2 GLN 16 HB2 GLN 16 -19.581 28.544 -6.146 117 HB3 GLN 16 HB3 GLN 16 -19.551 28.817 -4.401 118 HG2 GLN 16 HG2 GLN 16 -19.194 31.235 -4.800 119 HG3 GLN 16 HG3 GLN 16 -19.268 30.950 -6.536 120 HE21 GLN 16 HE21 GLN 16 -21.109 32.724 -5.484 121 HE22 GLN 16 HE22 GLN 16 -22.655 32.026 -5.464 122 H MET 17 H MET 17 -15.429 28.101 -5.986 123 HA MET 17 HA MET 17 -16.028 25.348 -5.725 124 HB2 MET 17 HB2 MET 17 -13.965 25.016 -6.571 125 HB3 MET 17 HB3 MET 17 -13.991 26.753 -6.838 126 HG2 MET 17 HG2 MET 17 -13.096 26.845 -4.351 127 HG3 MET 17 HG3 MET 17 -12.590 25.191 -4.698 128 HE1 MET 17 HE1 MET 17 -11.535 29.139 -5.663 129 HE2 MET 17 HE2 MET 17 -13.112 28.473 -6.071 130 HE3 MET 17 HE3 MET 17 -11.919 28.734 -7.340 131 H LEU 18 H LEU 18 -15.122 27.735 -3.403 132 HA LEU 18 HA LEU 18 -13.858 26.149 -1.483 133 HB2 LEU 18 HB2 LEU 18 -15.061 27.902 0.129 134 HB3 LEU 18 HB3 LEU 18 -13.674 28.331 -0.865 135 HG LEU 18 HG LEU 18 -15.100 29.297 -2.563 136 HD11 LEU 18 HD11 LEU 18 -17.642 29.359 -1.950 137 HD12 LEU 18 HD12 LEU 18 -17.258 27.955 -0.958 138 HD13 LEU 18 HD13 LEU 18 -16.977 27.911 -2.696 139 HD21 LEU 18 HD21 LEU 18 -16.236 31.072 -1.240 140 HD22 LEU 18 HD22 LEU 18 -14.609 30.745 -0.642 141 HD23 LEU 18 HD23 LEU 18 -16.009 30.108 0.219 142 H SER 19 H SER 19 -17.232 26.340 -2.372 143 HA SER 19 HA SER 19 -18.311 25.208 0.020 144 HB2 SER 19 HB2 SER 19 -19.448 25.113 -2.785 145 HB3 SER 19 HB3 SER 19 -20.334 24.875 -1.282 146 HG SER 19 HG SER 19 -19.013 27.227 -2.171 147 H HIS 20 H HIS 20 -17.500 23.868 -3.173 148 HA HIS 20 HA HIS 20 -18.047 21.153 -2.524 149 HB2 HIS 20 HB2 HIS 20 -15.916 21.866 -4.509 150 HB3 HIS 20 HB3 HIS 20 -17.186 20.650 -4.623 151 HD2 HIS 20 HD2 HIS 20 -19.743 22.782 -4.071 152 HE1 HIS 20 HE1 HIS 20 -18.274 24.705 -7.530 153 HE2 HIS 20 HE2 HIS 20 -20.265 24.495 -5.969 154 H CYS 21 H CYS 21 -15.309 23.285 -2.310 155 HA CYS 21 HA CYS 21 -13.308 21.448 -1.598 156 HB2 CYS 21 HB2 CYS 21 -13.743 24.395 -1.311 157 HB3 CYS 21 HB3 CYS 21 -12.410 23.644 -0.421 158 H ARG 22 H ARG 22 -15.584 23.377 0.347 159 HA ARG 22 HA ARG 22 -14.688 22.646 2.902 160 HB2 ARG 22 HB2 ARG 22 -16.385 24.409 2.467 161 HB3 ARG 22 HB3 ARG 22 -17.543 23.160 2.013 162 HG2 ARG 22 HG2 ARG 22 -17.300 22.150 4.278 163 HG3 ARG 22 HG3 ARG 22 -16.221 23.472 4.725 164 HD2 ARG 22 HD2 ARG 22 -18.027 25.096 4.240 165 HD3 ARG 22 HD3 ARG 22 -19.104 23.763 3.835 166 HE ARG 22 HE ARG 22 -18.054 23.355 6.431 167 HH11 ARG 22 HH21 ARG 22 -20.192 25.423 4.654 168 HH12 ARG 22 HH22 ARG 22 -21.213 25.760 6.012 169 HH21 ARG 22 HH11 ARG 22 -19.393 23.792 8.210 170 HH22 ARG 22 HH12 ARG 22 -20.762 24.838 8.023 171 H MET 23 H MET 23 -17.113 21.143 0.775 172 HA MET 23 HA MET 23 -17.804 18.982 2.438 173 HB2 MET 23 HB2 MET 23 -18.996 19.627 0.327 174 HB3 MET 23 HB3 MET 23 -17.643 18.965 -0.590 175 HG2 MET 23 HG2 MET 23 -18.007 16.763 0.523 176 HG3 MET 23 HG3 MET 23 -19.417 17.438 1.339 177 HE1 MET 23 HE1 MET 23 -19.541 14.853 -0.342 178 HE2 MET 23 HE2 MET 23 -21.026 15.087 -1.263 179 HE3 MET 23 HE3 MET 23 -20.955 15.591 0.424 180 H TYR 24 H TYR 24 -15.206 19.447 0.103 181 HA TYR 24 HA TYR 24 -14.132 16.857 0.098 182 HB2 TYR 24 HB2 TYR 24 -12.979 17.925 -1.505 183 HB3 TYR 24 HB3 TYR 24 -13.373 19.497 -0.829 184 HD1 TYR 24 HD2 TYR 24 -11.238 16.554 0.174 185 HD2 TYR 24 HD1 TYR 24 -11.541 20.813 -0.308 186 HE1 TYR 24 HE2 TYR 24 -8.901 16.811 0.948 187 HE2 TYR 24 HE1 TYR 24 -9.201 21.066 0.462 188 HH TYR 24 HH TYR 24 -7.018 18.824 0.461 189 H MET 25 H MET 25 -13.417 19.652 2.195 190 HA MET 25 HA MET 25 -11.343 18.511 3.698 191 HB2 MET 25 HB2 MET 25 -13.499 20.428 4.613 192 HB3 MET 25 HB3 MET 25 -11.980 20.126 5.454 193 HG2 MET 25 HG2 MET 25 -12.173 21.165 2.612 194 HG3 MET 25 HG3 MET 25 -11.927 22.187 4.025 195 HE1 MET 25 HE1 MET 25 -8.515 21.417 5.351 196 HE2 MET 25 HE2 MET 25 -10.025 20.724 5.936 197 HE3 MET 25 HE3 MET 25 -9.987 22.397 5.386 198 H ARG 26 H ARG 26 -14.847 18.601 4.357 199 HA ARG 26 HA ARG 26 -14.823 17.029 6.688 200 HB2 ARG 26 HB2 ARG 26 -16.775 18.357 5.830 201 HB3 ARG 26 HB3 ARG 26 -17.002 17.132 4.583 202 HG2 ARG 26 HG2 ARG 26 -17.258 15.409 6.364 203 HG3 ARG 26 HG3 ARG 26 -17.129 16.679 7.579 204 HD2 ARG 26 HD2 ARG 26 -19.239 16.538 5.408 205 HD3 ARG 26 HD3 ARG 26 -19.491 16.126 7.102 206 HE ARG 26 HE ARG 26 -18.487 18.707 7.105 207 HH11 ARG 26 HH21 ARG 26 -21.197 17.021 5.752 208 HH12 ARG 26 HH22 ARG 26 -22.243 18.401 5.785 209 HH21 ARG 26 HH11 ARG 26 -19.856 20.513 7.147 210 HH22 ARG 26 HH12 ARG 26 -21.484 20.375 6.574 211 H GLN 27 H GLN 27 -15.105 16.200 3.279 212 HA GLN 27 HA GLN 27 -15.468 13.440 3.531 213 HB2 GLN 27 HB2 GLN 27 -15.823 14.561 1.402 214 HB3 GLN 27 HB3 GLN 27 -14.133 15.052 1.340 215 HG2 GLN 27 HG2 GLN 27 -14.671 13.031 -0.068 216 HG3 GLN 27 HG3 GLN 27 -13.398 12.765 1.120 217 HE21 GLN 27 HE21 GLN 27 -14.230 11.847 3.300 218 HE22 GLN 27 HE22 GLN 27 -15.471 10.666 3.199 219 H GLN 28 H GLN 28 -12.564 15.466 3.529 220 HA GLN 28 HA GLN 28 -10.707 13.370 3.361 221 HB2 GLN 28 HB2 GLN 28 -10.171 15.779 3.147 222 HB3 GLN 28 HB3 GLN 28 -10.475 15.932 4.871 223 HG2 GLN 28 HG2 GLN 28 -8.628 13.747 4.209 224 HG3 GLN 28 HG3 GLN 28 -8.021 15.332 3.747 225 HE21 GLN 28 HE21 GLN 28 -6.383 14.891 5.538 226 HE22 GLN 28 HE22 GLN 28 -6.827 15.258 7.134 227 H MET 29 H MET 29 -12.436 14.824 6.090 228 HA MET 29 HA MET 29 -11.051 13.512 8.168 229 HB2 MET 29 HB2 MET 29 -13.977 14.294 8.087 230 HB3 MET 29 HB3 MET 29 -13.048 13.926 9.538 231 HG2 MET 29 HG2 MET 29 -11.467 15.802 8.858 232 HG3 MET 29 HG3 MET 29 -12.658 16.250 7.640 233 HE1 MET 29 HE1 MET 29 -15.656 15.730 9.889 234 HE2 MET 29 HE2 MET 29 -15.053 15.906 8.245 235 HE3 MET 29 HE3 MET 29 -15.647 17.318 9.112 236 H GLU 30 H GLU 30 -14.111 12.599 6.531 237 HA GLU 30 HA GLU 30 -14.273 10.046 7.808 238 HB2 GLU 30 HB2 GLU 30 -15.542 11.088 5.266 239 HB3 GLU 30 HB3 GLU 30 -15.912 9.518 5.978 240 HG2 GLU 30 HG2 GLU 30 -17.562 10.766 6.991 241 HG3 GLU 30 HG3 GLU 30 -16.272 11.006 8.167 242 H GLU 31 H GLU 31 -13.084 11.117 4.661 243 HA GLU 31 HA GLU 31 -12.367 8.565 3.653 244 HB2 GLU 31 HB2 GLU 31 -12.735 10.664 2.305 245 HB3 GLU 31 HB3 GLU 31 -11.172 11.236 2.886 246 HG2 GLU 31 HG2 GLU 31 -10.107 9.198 1.923 247 HG3 GLU 31 HG3 GLU 31 -11.671 8.708 1.285 248 H SER 32 H SER 32 -11.041 10.259 6.203 249 HA SER 32 HA SER 32 -8.390 10.380 6.141 250 HB2 SER 32 HB2 SER 32 -8.315 9.462 8.458 251 HB3 SER 32 HB3 SER 32 -9.583 10.659 8.217 252 HG SER 32 HG SER 32 -10.691 8.417 7.577 253 H THR 33 H THR 33 -9.991 7.226 6.663 254 HA THR 33 HA THR 33 -7.621 5.700 6.575 255 HB THR 33 HB THR 33 -9.096 3.768 6.251 256 HG1 THR 33 HG1 THR 33 -10.714 5.736 5.263 257 HG21 THR 33 HG21 THR 33 -8.902 4.913 8.487 258 HG22 THR 33 HG22 THR 33 -10.412 4.031 8.260 259 HG23 THR 33 HG23 THR 33 -10.387 5.787 8.104 260 H TYR 34 H TYR 34 -9.828 6.732 4.025 261 HA TYR 34 HA TYR 34 -8.279 5.280 1.999 262 HB2 TYR 34 HB2 TYR 34 -10.878 6.802 1.752 263 HB3 TYR 34 HB3 TYR 34 -10.124 5.832 0.487 264 HD1 TYR 34 HD2 TYR 34 -9.693 3.344 0.969 265 HD2 TYR 34 HD1 TYR 34 -12.269 5.798 3.377 266 HE1 TYR 34 HE2 TYR 34 -10.770 1.311 1.890 267 HE2 TYR 34 HE1 TYR 34 -13.346 3.763 4.298 268 HH TYR 34 HH TYR 34 -12.129 0.886 4.309 269 H GLN 35 H GLN 35 -7.898 8.227 3.397 270 HA GLN 35 HA GLN 35 -7.947 10.247 1.646 271 HB2 GLN 35 HB2 GLN 35 -5.672 10.996 2.452 272 HB3 GLN 35 HB3 GLN 35 -6.917 10.746 3.672 273 HG2 GLN 35 HG2 GLN 35 -5.834 8.268 3.637 274 HG3 GLN 35 HG3 GLN 35 -4.421 9.209 3.158 275 HE21 GLN 35 HE21 GLN 35 -6.965 10.521 5.231 276 HE22 GLN 35 HE22 GLN 35 -6.039 10.588 6.634 277 H THR 36 H THR 36 -5.672 7.542 1.396 278 HA THR 36 HA THR 36 -4.031 8.642 -0.612 279 HB THR 36 HB THR 36 -3.568 6.214 -1.184 280 HG1 THR 36 HG1 THR 36 -5.507 5.905 0.856 281 HG21 THR 36 HG21 THR 36 -2.469 5.757 0.970 282 HG22 THR 36 HG22 THR 36 -3.457 6.995 1.743 283 HG23 THR 36 HG23 THR 36 -2.273 7.450 0.518 284 H MET 37 H MET 37 -4.864 9.528 -2.374 285 HA MET 37 HA MET 37 -7.279 8.759 -3.631 286 HB2 MET 37 HB2 MET 37 -4.937 10.354 -4.698 287 HB3 MET 37 HB3 MET 37 -6.518 10.239 -5.472 288 HG2 MET 37 HG2 MET 37 -6.246 11.135 -2.597 289 HG3 MET 37 HG3 MET 37 -6.092 12.277 -3.933 290 HE1 MET 37 HE1 MET 37 -9.423 12.617 -5.525 291 HE2 MET 37 HE2 MET 37 -7.788 12.145 -5.982 292 HE3 MET 37 HE3 MET 37 -8.033 13.512 -4.898 293 HA PRO 38 HA PRO 38 -5.553 5.217 -5.778 294 HB2 PRO 38 HB2 PRO 38 -7.866 4.363 -6.920 295 HB3 PRO 38 HB3 PRO 38 -7.508 4.121 -5.198 296 HG2 PRO 38 HG2 PRO 38 -9.238 6.161 -6.504 297 HG3 PRO 38 HG3 PRO 38 -9.496 5.252 -5.004 298 HD2 PRO 38 HD2 PRO 38 -8.599 7.857 -5.067 299 HD3 PRO 38 HD3 PRO 38 -8.250 6.726 -3.740 300 H ARG 39 H ARG 39 -4.773 4.913 -7.837 301 HA ARG 39 HA ARG 39 -4.802 7.045 -9.696 302 HB2 ARG 39 HB2 ARG 39 -4.210 4.145 -10.291 303 HB3 ARG 39 HB3 ARG 39 -3.653 5.546 -11.198 304 HG2 ARG 39 HG2 ARG 39 -2.413 6.336 -9.182 305 HG3 ARG 39 HG3 ARG 39 -2.885 4.857 -8.346 306 HD2 ARG 39 HD2 ARG 39 -1.795 3.551 -10.207 307 HD3 ARG 39 HD3 ARG 39 -1.184 5.075 -10.843 308 HE ARG 39 HE ARG 39 0.393 5.098 -9.138 309 HH11 ARG 39 HH21 ARG 39 -2.136 2.828 -8.441 310 HH12 ARG 39 HH22 ARG 39 -1.335 2.157 -7.061 311 HH21 ARG 39 HH11 ARG 39 1.439 4.217 -7.331 312 HH22 ARG 39 HH12 ARG 39 0.685 2.942 -6.433 313 H ARG 40 H ARG 40 -6.596 4.007 -9.483 314 HA ARG 40 HA ARG 40 -7.866 4.214 -12.003 315 HB2 ARG 40 HB2 ARG 40 -8.609 2.718 -9.487 316 HB3 ARG 40 HB3 ARG 40 -9.511 2.582 -10.996 317 HG2 ARG 40 HG2 ARG 40 -6.532 2.087 -10.790 318 HG3 ARG 40 HG3 ARG 40 -7.736 0.807 -10.659 319 HD2 ARG 40 HD2 ARG 40 -7.285 2.628 -13.040 320 HD3 ARG 40 HD3 ARG 40 -6.940 0.906 -12.956 321 HE ARG 40 HE ARG 40 -9.511 2.118 -13.420 322 HH11 ARG 40 HH21 ARG 40 -7.839 -0.630 -12.124 323 HH12 ARG 40 HH22 ARG 40 -9.172 -1.713 -12.348 324 HH21 ARG 40 HH11 ARG 40 -11.252 0.701 -13.711 325 HH22 ARG 40 HH12 ARG 40 -11.102 -0.961 -13.245 326 H GLY 41 H GLY 41 -8.791 6.050 -12.425 327 HA2 GLY 41 HA2 GLY 41 -10.287 7.818 -12.364 328 HA3 GLY 41 HA3 GLY 41 -11.404 6.622 -11.718 329 H MET 42 H MET 42 -9.051 9.102 -10.884 330 HA MET 42 HA MET 42 -9.093 8.973 -8.104 331 HB2 MET 42 HB2 MET 42 -8.919 11.397 -9.911 332 HB3 MET 42 HB3 MET 42 -8.582 11.422 -8.180 333 HG2 MET 42 HG2 MET 42 -6.846 9.647 -8.551 334 HG3 MET 42 HG3 MET 42 -7.118 9.803 -10.286 335 HE1 MET 42 HE1 MET 42 -7.604 13.173 -10.467 336 HE2 MET 42 HE2 MET 42 -7.098 11.858 -11.525 337 HE3 MET 42 HE3 MET 42 -6.025 13.229 -11.262 338 H GLU 43 H GLU 43 -10.155 10.645 -6.643 339 HA GLU 43 HA GLU 43 -12.977 10.326 -6.795 340 HB2 GLU 43 HB2 GLU 43 -11.315 10.752 -4.749 341 HB3 GLU 43 HB3 GLU 43 -11.804 12.423 -5.030 342 HG2 GLU 43 HG2 GLU 43 -14.200 11.665 -4.957 343 HG3 GLU 43 HG3 GLU 43 -13.629 10.064 -4.490 344 HA PRO 44 HA PRO 44 -13.657 13.807 -9.532 345 HB2 PRO 44 HB2 PRO 44 -16.410 13.691 -9.442 346 HB3 PRO 44 HB3 PRO 44 -15.403 12.663 -10.479 347 HG2 PRO 44 HG2 PRO 44 -16.706 12.037 -7.882 348 HG3 PRO 44 HG3 PRO 44 -16.481 11.015 -9.313 349 HD2 PRO 44 HD2 PRO 44 -14.927 10.793 -7.077 350 HD3 PRO 44 HD3 PRO 44 -14.335 10.403 -8.706 351 H HIS 45 H HIS 45 -15.161 13.412 -6.371 352 HA HIS 45 HA HIS 45 -16.339 15.905 -6.004 353 HB2 HIS 45 HB2 HIS 45 -14.839 14.266 -3.943 354 HB3 HIS 45 HB3 HIS 45 -16.026 15.524 -3.601 355 HD2 HIS 45 HD2 HIS 45 -18.740 14.794 -4.198 356 HE1 HIS 45 HE1 HIS 45 -17.896 10.721 -4.917 357 HE2 HIS 45 HE2 HIS 45 -19.752 12.418 -4.575 358 H MET 46 H MET 46 -12.989 14.899 -5.371 359 HA MET 46 HA MET 46 -12.070 17.428 -4.460 360 HB2 MET 46 HB2 MET 46 -10.481 15.212 -5.784 361 HB3 MET 46 HB3 MET 46 -9.837 16.503 -4.771 362 HG2 MET 46 HG2 MET 46 -11.724 14.293 -3.911 363 HG3 MET 46 HG3 MET 46 -10.044 14.497 -3.421 364 HE1 MET 46 HE1 MET 46 -12.177 13.922 -1.565 365 HE2 MET 46 HE2 MET 46 -13.545 14.891 -2.108 366 HE3 MET 46 HE3 MET 46 -12.811 15.217 -0.541 367 H SER 47 H SER 47 -12.143 15.844 -7.612 368 HA SER 47 HA SER 47 -10.647 17.682 -9.099 369 HB2 SER 47 HB2 SER 47 -13.018 16.077 -10.070 370 HB3 SER 47 HB3 SER 47 -11.710 16.730 -11.052 371 HG SER 47 HG SER 47 -11.474 14.813 -8.964 372 H GLU 48 H GLU 48 -14.021 17.754 -8.090 373 HA GLU 48 HA GLU 48 -15.028 19.708 -9.795 374 HB2 GLU 48 HB2 GLU 48 -16.361 18.394 -8.141 375 HB3 GLU 48 HB3 GLU 48 -15.688 19.399 -6.857 376 HG2 GLU 48 HG2 GLU 48 -16.606 21.418 -7.989 377 HG3 GLU 48 HG3 GLU 48 -17.336 20.377 -9.209 378 H CYS 49 H CYS 49 -13.216 20.094 -6.761 379 HA CYS 49 HA CYS 49 -13.387 22.942 -6.721 380 HB2 CYS 49 HB2 CYS 49 -11.931 20.854 -5.214 381 HB3 CYS 49 HB3 CYS 49 -11.143 22.430 -5.278 382 H CYS 50 H CYS 50 -10.818 20.680 -7.722 383 HA CYS 50 HA CYS 50 -8.890 22.511 -8.538 384 HB2 CYS 50 HB2 CYS 50 -8.705 19.967 -8.421 385 HB3 CYS 50 HB3 CYS 50 -9.456 19.948 -10.020 386 H GLU 51 H GLU 51 -11.726 21.322 -10.267 387 HA GLU 51 HA GLU 51 -11.131 22.291 -12.819 388 HB2 GLU 51 HB2 GLU 51 -13.022 20.759 -12.244 389 HB3 GLU 51 HB3 GLU 51 -13.875 22.140 -11.557 390 HG2 GLU 51 HG2 GLU 51 -14.649 21.840 -13.833 391 HG3 GLU 51 HG3 GLU 51 -13.667 23.300 -13.776 392 H GLN 52 H GLN 52 -12.534 23.930 -10.017 393 HA GLN 52 HA GLN 52 -13.422 26.260 -11.287 394 HB2 GLN 52 HB2 GLN 52 -13.743 25.485 -8.843 395 HB3 GLN 52 HB3 GLN 52 -12.208 26.304 -8.538 396 HG2 GLN 52 HG2 GLN 52 -13.779 28.008 -8.158 397 HG3 GLN 52 HG3 GLN 52 -13.288 28.293 -9.824 398 HE21 GLN 52 HE21 GLN 52 -14.935 28.278 -11.387 399 HE22 GLN 52 HE22 GLN 52 -16.521 27.747 -11.099 400 H LEU 53 H LEU 53 -10.269 25.680 -9.689 401 HA LEU 53 HA LEU 53 -9.066 28.162 -10.302 402 HB2 LEU 53 HB2 LEU 53 -7.646 25.483 -10.237 403 HB3 LEU 53 HB3 LEU 53 -6.944 27.060 -9.924 404 HG LEU 53 HG LEU 53 -7.266 26.150 -7.773 405 HD11 LEU 53 HD11 LEU 53 -8.354 28.448 -8.184 406 HD12 LEU 53 HD12 LEU 53 -8.854 27.577 -6.737 407 HD13 LEU 53 HD13 LEU 53 -9.895 27.590 -8.159 408 HD21 LEU 53 HD21 LEU 53 -10.095 25.433 -7.944 409 HD22 LEU 53 HD22 LEU 53 -8.732 24.475 -7.368 410 HD23 LEU 53 HD23 LEU 53 -9.106 24.530 -9.087 411 H GLU 54 H GLU 54 -9.065 25.071 -11.859 412 HA GLU 54 HA GLU 54 -7.541 25.545 -14.110 413 HB2 GLU 54 HB2 GLU 54 -8.090 23.361 -13.496 414 HB3 GLU 54 HB3 GLU 54 -9.816 23.703 -13.432 415 HG2 GLU 54 HG2 GLU 54 -9.770 24.080 -15.922 416 HG3 GLU 54 HG3 GLU 54 -8.073 23.606 -15.927 417 H GLY 55 H GLY 55 -10.841 26.440 -13.381 418 HA2 GLY 55 HA2 GLY 55 -11.362 27.312 -16.135 419 HA3 GLY 55 HA3 GLY 55 -12.524 27.289 -14.809 420 H MET 56 H MET 56 -10.134 28.536 -13.209 421 HA MET 56 HA MET 56 -10.967 31.293 -13.627 422 HB2 MET 56 HB2 MET 56 -10.818 30.656 -11.343 423 HB3 MET 56 HB3 MET 56 -9.235 29.914 -11.573 424 HG2 MET 56 HG2 MET 56 -8.276 32.146 -12.070 425 HG3 MET 56 HG3 MET 56 -9.854 32.878 -11.792 426 HE1 MET 56 HE1 MET 56 -10.851 33.438 -9.810 427 HE2 MET 56 HE2 MET 56 -10.479 32.901 -8.174 428 HE3 MET 56 HE3 MET 56 -11.180 31.769 -9.326 429 H ASP 57 H ASP 57 -9.499 33.037 -13.996 430 HA ASP 57 HA ASP 57 -7.686 32.694 -16.082 431 HB2 ASP 57 HB2 ASP 57 -7.736 34.866 -13.971 432 HB3 ASP 57 HB3 ASP 57 -6.854 34.953 -15.493 433 H GLU 58 H GLU 58 -5.480 32.424 -16.227 434 HA GLU 58 HA GLU 58 -4.175 30.846 -14.350 435 HB2 GLU 58 HB2 GLU 58 -3.382 30.934 -16.617 436 HB3 GLU 58 HB3 GLU 58 -3.033 32.659 -16.481 437 HG2 GLU 58 HG2 GLU 58 -1.376 32.187 -14.716 438 HG3 GLU 58 HG3 GLU 58 -1.711 30.464 -14.866 439 H SER 59 H SER 59 -3.635 34.327 -14.950 440 HA SER 59 HA SER 59 -1.779 34.771 -12.911 441 HB2 SER 59 HB2 SER 59 -3.892 36.694 -13.915 442 HB3 SER 59 HB3 SER 59 -2.404 37.125 -13.081 443 HG SER 59 HG SER 59 -1.363 35.905 -14.875 444 H CYS 60 H CYS 60 -5.253 34.569 -12.852 445 HA CYS 60 HA CYS 60 -5.585 35.534 -10.164 446 HB2 CYS 60 HB2 CYS 60 -7.451 34.009 -11.989 447 HB3 CYS 60 HB3 CYS 60 -7.909 34.686 -10.426 448 H ARG 61 H ARG 61 -4.866 32.485 -11.619 449 HA ARG 61 HA ARG 61 -5.817 30.710 -9.676 450 HB2 ARG 61 HB2 ARG 61 -4.890 30.123 -11.941 451 HB3 ARG 61 HB3 ARG 61 -3.276 30.396 -11.284 452 HG2 ARG 61 HG2 ARG 61 -3.769 28.691 -9.512 453 HG3 ARG 61 HG3 ARG 61 -5.299 28.353 -10.323 454 HD2 ARG 61 HD2 ARG 61 -2.519 28.013 -11.477 455 HD3 ARG 61 HD3 ARG 61 -3.660 26.732 -11.079 456 HE ARG 61 HE ARG 61 -3.727 28.457 -13.422 457 HH11 ARG 61 HH21 ARG 61 -5.421 26.262 -11.341 458 HH12 ARG 61 HH22 ARG 61 -6.630 25.873 -12.516 459 HH21 ARG 61 HH11 ARG 61 -5.309 27.956 -14.955 460 HH22 ARG 61 HH12 ARG 61 -6.569 26.836 -14.563 461 H CYS 62 H CYS 62 -2.769 32.534 -9.835 462 HA CYS 62 HA CYS 62 -1.418 31.300 -7.714 463 HB2 CYS 62 HB2 CYS 62 -1.363 34.210 -8.557 464 HB3 CYS 62 HB3 CYS 62 -0.170 33.429 -7.521 465 H GLU 63 H GLU 63 -3.293 34.332 -7.609 466 HA GLU 63 HA GLU 63 -3.344 34.575 -4.803 467 HB2 GLU 63 HB2 GLU 63 -3.856 36.426 -6.380 468 HB3 GLU 63 HB3 GLU 63 -5.370 35.623 -6.793 469 HG2 GLU 63 HG2 GLU 63 -6.041 35.724 -4.393 470 HG3 GLU 63 HG3 GLU 63 -4.559 36.608 -4.038 471 H GLY 64 H GLY 64 -5.495 32.954 -7.070 472 HA2 GLY 64 HA2 GLY 64 -7.728 32.493 -5.527 473 HA3 GLY 64 HA3 GLY 64 -7.139 31.380 -6.754 474 H LEU 65 H LEU 65 -5.081 30.105 -5.900 475 HA LEU 65 HA LEU 65 -5.974 28.366 -3.911 476 HB2 LEU 65 HB2 LEU 65 -3.155 28.880 -4.879 477 HB3 LEU 65 HB3 LEU 65 -3.642 27.501 -3.887 478 HG LEU 65 HG LEU 65 -4.718 28.181 -6.644 479 HD11 LEU 65 HD11 LEU 65 -2.411 27.228 -6.587 480 HD12 LEU 65 HD12 LEU 65 -3.575 26.142 -7.344 481 HD13 LEU 65 HD13 LEU 65 -3.035 25.843 -5.692 482 HD21 LEU 65 HD21 LEU 65 -6.538 27.136 -5.647 483 HD22 LEU 65 HD22 LEU 65 -5.533 26.220 -4.523 484 HD23 LEU 65 HD23 LEU 65 -5.646 25.724 -6.211 485 H ARG 66 H ARG 66 -3.550 30.976 -3.624 486 HA ARG 66 HA ARG 66 -2.942 30.593 -0.914 487 HB2 ARG 66 HB2 ARG 66 -2.980 33.142 -2.550 488 HB3 ARG 66 HB3 ARG 66 -2.247 32.989 -0.952 489 HG2 ARG 66 HG2 ARG 66 -0.757 31.208 -1.810 490 HG3 ARG 66 HG3 ARG 66 -1.477 31.384 -3.409 491 HD2 ARG 66 HD2 ARG 66 0.564 32.668 -3.395 492 HD3 ARG 66 HD3 ARG 66 -0.779 33.806 -3.372 493 HE ARG 66 HE ARG 66 -0.117 34.471 -1.246 494 HH11 ARG 66 HH21 ARG 66 1.403 31.483 -2.132 495 HH12 ARG 66 HH22 ARG 66 2.468 31.466 -0.766 496 HH21 ARG 66 HH11 ARG 66 1.278 34.446 0.541 497 HH22 ARG 66 HH12 ARG 66 2.398 33.141 0.744 498 H MET 67 H MET 67 -5.291 32.820 -2.390 499 HA MET 67 HA MET 67 -6.383 33.820 0.002 500 HB2 MET 67 HB2 MET 67 -6.803 35.017 -2.005 501 HB3 MET 67 HB3 MET 67 -7.465 33.594 -2.805 502 HG2 MET 67 HG2 MET 67 -9.404 33.595 -1.374 503 HG3 MET 67 HG3 MET 67 -8.715 34.861 -0.355 504 HE1 MET 67 HE1 MET 67 -8.788 38.024 -2.385 505 HE2 MET 67 HE2 MET 67 -7.422 36.922 -2.528 506 HE3 MET 67 HE3 MET 67 -8.221 37.125 -0.971 507 H MET 68 H MET 68 -7.481 31.191 -2.116 508 HA MET 68 HA MET 68 -9.785 30.511 -0.668 509 HB2 MET 68 HB2 MET 68 -9.678 29.677 -2.840 510 HB3 MET 68 HB3 MET 68 -8.042 29.061 -2.627 511 HG2 MET 68 HG2 MET 68 -8.777 27.231 -1.315 512 HG3 MET 68 HG3 MET 68 -10.362 27.959 -1.038 513 HE1 MET 68 HE1 MET 68 -8.277 27.679 -4.472 514 HE2 MET 68 HE2 MET 68 -8.722 26.015 -4.839 515 HE3 MET 68 HE3 MET 68 -7.885 26.383 -3.334 516 H MET 69 H MET 69 -6.438 29.343 -0.371 517 HA MET 69 HA MET 69 -6.805 27.209 1.352 518 HB2 MET 69 HB2 MET 69 -4.611 27.946 0.409 519 HB3 MET 69 HB3 MET 69 -4.599 29.276 1.567 520 HG2 MET 69 HG2 MET 69 -4.762 27.605 3.421 521 HG3 MET 69 HG3 MET 69 -4.637 26.315 2.225 522 HE1 MET 69 HE1 MET 69 -3.218 29.158 4.067 523 HE2 MET 69 HE2 MET 69 -2.664 29.880 2.558 524 HE3 MET 69 HE3 MET 69 -1.488 29.244 3.705 525 H ARG 70 H ARG 70 -6.154 30.578 2.328 526 HA ARG 70 HA ARG 70 -6.663 30.223 5.075 527 HB2 ARG 70 HB2 ARG 70 -5.485 32.180 4.087 528 HB3 ARG 70 HB3 ARG 70 -7.022 32.740 3.427 529 HG2 ARG 70 HG2 ARG 70 -7.959 32.887 5.700 530 HG3 ARG 70 HG3 ARG 70 -6.439 32.296 6.373 531 HD2 ARG 70 HD2 ARG 70 -6.441 34.703 6.564 532 HD3 ARG 70 HD3 ARG 70 -5.286 34.261 5.309 533 HE ARG 70 HE ARG 70 -7.881 34.766 4.209 534 HH11 ARG 70 HH21 ARG 70 -5.030 36.268 5.487 535 HH12 ARG 70 HH22 ARG 70 -5.228 37.728 4.577 536 HH21 ARG 70 HH11 ARG 70 -8.141 36.679 3.018 537 HH22 ARG 70 HH12 ARG 70 -6.987 37.960 3.182 538 H MET 71 H MET 71 -8.773 31.107 2.382 539 HA MET 71 HA MET 71 -11.069 31.788 3.850 540 HB2 MET 71 HB2 MET 71 -10.655 32.233 1.401 541 HB3 MET 71 HB3 MET 71 -11.012 30.532 1.100 542 HG2 MET 71 HG2 MET 71 -13.083 31.628 0.760 543 HG3 MET 71 HG3 MET 71 -13.213 30.957 2.385 544 HE1 MET 71 HE1 MET 71 -12.663 34.028 0.157 545 HE2 MET 71 HE2 MET 71 -13.643 35.184 1.057 546 HE3 MET 71 HE3 MET 71 -14.358 33.670 0.510 547 H MET 72 H MET 72 -9.850 28.683 2.689 548 HA MET 72 HA MET 72 -12.130 27.144 3.083 549 HB2 MET 72 HB2 MET 72 -9.200 26.485 3.244 550 HB3 MET 72 HB3 MET 72 -10.429 25.257 3.537 551 HG2 MET 72 HG2 MET 72 -10.166 26.937 1.026 552 HG3 MET 72 HG3 MET 72 -9.747 25.233 1.176 553 HE1 MET 72 HE1 MET 72 -12.954 23.410 1.826 554 HE2 MET 72 HE2 MET 72 -12.337 24.301 3.211 555 HE3 MET 72 HE3 MET 72 -11.212 23.538 2.090 556 H GLN 73 H GLN 73 -9.468 27.755 5.369 557 HA GLN 73 HA GLN 73 -10.576 26.332 7.533 558 HB2 GLN 73 HB2 GLN 73 -8.753 28.749 7.621 559 HB3 GLN 73 HB3 GLN 73 -9.011 27.596 8.929 560 HG2 GLN 73 HG2 GLN 73 -7.711 27.092 6.243 561 HG3 GLN 73 HG3 GLN 73 -6.982 26.936 7.839 562 HE21 GLN 73 HE21 GLN 73 -8.586 25.209 5.371 563 HE22 GLN 73 HE22 GLN 73 -8.941 23.809 6.258 564 H GLN 74 H GLN 74 -10.862 29.715 6.541 565 HA GLN 74 HA GLN 74 -12.361 30.628 8.739 566 HB2 GLN 74 HB2 GLN 74 -11.438 32.311 7.420 567 HB3 GLN 74 HB3 GLN 74 -12.011 31.583 5.920 568 HG2 GLN 74 HG2 GLN 74 -14.178 32.219 7.789 569 HG3 GLN 74 HG3 GLN 74 -13.268 33.645 7.282 570 HE21 GLN 74 HE21 GLN 74 -13.450 30.867 5.140 571 HE22 GLN 74 HE22 GLN 74 -14.512 31.565 4.025 572 H LYS 75 H LYS 75 -13.389 29.239 5.644 573 HA LYS 75 HA LYS 75 -16.138 29.678 5.879 574 HB2 LYS 75 HB2 LYS 75 -14.978 28.839 3.839 575 HB3 LYS 75 HB3 LYS 75 -14.770 27.280 4.632 576 HG2 LYS 75 HG2 LYS 75 -16.728 27.014 3.327 577 HG3 LYS 75 HG3 LYS 75 -17.331 27.304 4.958 578 HD2 LYS 75 HD2 LYS 75 -17.753 29.642 4.447 579 HD3 LYS 75 HD3 LYS 75 -16.994 29.472 2.864 580 HE2 LYS 75 HE2 LYS 75 -19.426 27.885 3.726 581 HE3 LYS 75 HE3 LYS 75 -19.519 29.393 2.819 582 HZ1 LYS 75 HZ1 LYS 75 -19.547 27.739 1.203 583 HZ2 LYS 75 HZ2 LYS 75 -18.355 26.810 1.980 584 HZ3 LYS 75 HZ3 LYS 75 -17.934 28.263 1.205 585 H GLU 76 H GLU 76 -14.161 26.976 7.018 586 HA GLU 76 HA GLU 76 -15.883 26.457 9.237 587 HB2 GLU 76 HB2 GLU 76 -17.217 25.459 7.352 588 HB3 GLU 76 HB3 GLU 76 -15.886 24.341 7.070 589 HG2 GLU 76 HG2 GLU 76 -17.505 23.227 8.484 590 HG3 GLU 76 HG3 GLU 76 -16.088 23.594 9.464 591 H MET 77 H MET 77 -13.618 26.836 10.003 592 HA MET 77 HA MET 77 -11.476 25.130 9.443 593 HB2 MET 77 HB2 MET 77 -11.345 27.261 10.757 594 HB3 MET 77 HB3 MET 77 -12.067 26.409 12.122 595 HG2 MET 77 HG2 MET 77 -10.195 24.765 12.046 596 HG3 MET 77 HG3 MET 77 -9.456 25.703 10.749 597 HE1 MET 77 HE1 MET 77 -7.905 24.971 13.291 598 HE2 MET 77 HE2 MET 77 -7.112 26.492 13.693 599 HE3 MET 77 HE3 MET 77 -7.252 25.999 12.008 600 H GLN 78 H GLN 78 -12.150 22.980 9.292 601 HA GLN 78 HA GLN 78 -13.637 21.557 11.198 602 HB2 GLN 78 HB2 GLN 78 -11.424 20.429 9.469 603 HB3 GLN 78 HB3 GLN 78 -12.803 19.559 10.138 604 HG2 GLN 78 HG2 GLN 78 -14.121 21.507 8.812 605 HG3 GLN 78 HG3 GLN 78 -12.675 21.405 7.808 606 HE21 GLN 78 HE21 GLN 78 -15.738 20.197 7.971 607 HE22 GLN 78 HE22 GLN 78 -15.490 18.677 7.257 608 HA PRO 79 HA PRO 79 -10.490 21.126 14.318 609 HB2 PRO 79 HB2 PRO 79 -11.806 19.603 16.073 610 HB3 PRO 79 HB3 PRO 79 -12.409 21.225 15.665 611 HG2 PRO 79 HG2 PRO 79 -13.382 18.567 14.776 612 HG3 PRO 79 HG3 PRO 79 -14.290 20.046 15.126 613 HD2 PRO 79 HD2 PRO 79 -13.485 19.130 12.560 614 HD3 PRO 79 HD3 PRO 79 -14.157 20.730 12.947 615 H ARG 80 H ARG 80 -8.753 19.976 13.745 616 HA ARG 80 HA ARG 80 -8.455 17.268 14.429 617 HB2 ARG 80 HB2 ARG 80 -9.500 17.724 11.781 618 HB3 ARG 80 HB3 ARG 80 -7.892 17.004 11.675 619 HG2 ARG 80 HG2 ARG 80 -8.533 15.062 12.769 620 HG3 ARG 80 HG3 ARG 80 -9.822 15.866 13.664 621 HD2 ARG 80 HD2 ARG 80 -9.951 15.529 10.669 622 HD3 ARG 80 HD3 ARG 80 -10.531 14.279 11.765 623 HE ARG 80 HE ARG 80 -11.767 16.859 11.263 624 HH11 ARG 80 HH21 ARG 80 -11.457 14.126 13.377 625 HH12 ARG 80 HH22 ARG 80 -12.992 14.374 14.139 626 HH21 ARG 80 HH11 ARG 80 -13.775 17.181 12.266 627 HH22 ARG 80 HH12 ARG 80 -14.302 16.100 13.512 628 H GLY 81 H GLY 81 -6.321 17.034 14.901 629 HA2 GLY 81 HA2 GLY 81 -4.491 19.109 13.958 630 HA3 GLY 81 HA3 GLY 81 -4.167 17.926 15.219 631 H GLU 82 H GLU 82 -3.930 15.634 14.464 632 HA GLU 82 HA GLU 82 -1.881 15.444 12.548 633 HB2 GLU 82 HB2 GLU 82 -3.634 13.312 13.778 634 HB3 GLU 82 HB3 GLU 82 -2.218 12.975 12.782 635 HG2 GLU 82 HG2 GLU 82 -1.369 12.913 14.981 636 HG3 GLU 82 HG3 GLU 82 -0.938 14.522 14.412 637 H GLN 83 H GLN 83 -5.343 14.666 12.286 638 HA GLN 83 HA GLN 83 -5.278 13.425 9.780 639 HB2 GLN 83 HB2 GLN 83 -7.228 13.433 11.305 640 HB3 GLN 83 HB3 GLN 83 -7.492 15.134 10.930 641 HG2 GLN 83 HG2 GLN 83 -8.964 13.841 9.523 642 HG3 GLN 83 HG3 GLN 83 -7.686 14.495 8.504 643 HE21 GLN 83 HE21 GLN 83 -7.454 12.856 6.935 644 HE22 GLN 83 HE22 GLN 83 -7.116 11.235 7.307 645 H MET 84 H MET 84 -6.373 16.777 10.365 646 HA MET 84 HA MET 84 -6.311 17.517 7.652 647 HB2 MET 84 HB2 MET 84 -6.331 19.116 10.198 648 HB3 MET 84 HB3 MET 84 -6.308 19.884 8.608 649 HG2 MET 84 HG2 MET 84 -8.356 18.648 7.973 650 HG3 MET 84 HG3 MET 84 -8.385 17.876 9.557 651 HE1 MET 84 HE1 MET 84 -7.839 22.068 8.738 652 HE2 MET 84 HE2 MET 84 -9.471 21.913 8.095 653 HE3 MET 84 HE3 MET 84 -8.200 20.836 7.522 654 H ARG 85 H ARG 85 -3.794 17.622 10.126 655 HA ARG 85 HA ARG 85 -1.995 19.384 8.956 656 HB2 ARG 85 HB2 ARG 85 -1.619 18.337 11.151 657 HB3 ARG 85 HB3 ARG 85 -1.350 16.781 10.368 658 HG2 ARG 85 HG2 ARG 85 0.591 17.705 9.169 659 HG3 ARG 85 HG3 ARG 85 0.306 19.282 9.908 660 HD2 ARG 85 HD2 ARG 85 2.037 18.152 11.175 661 HD3 ARG 85 HD3 ARG 85 0.576 18.215 12.158 662 HE ARG 85 HE ARG 85 1.051 15.792 10.564 663 HH11 ARG 85 HH21 ARG 85 1.035 17.417 13.632 664 HH12 ARG 85 HH22 ARG 85 1.033 15.952 14.554 665 HH21 ARG 85 HH11 ARG 85 1.050 13.881 11.778 666 HH22 ARG 85 HH12 ARG 85 1.042 13.955 13.508 667 H ARG 86 H ARG 86 -2.359 15.894 8.353 668 HA ARG 86 HA ARG 86 -0.371 15.684 6.357 669 HB2 ARG 86 HB2 ARG 86 -2.900 14.071 6.789 670 HB3 ARG 86 HB3 ARG 86 -1.603 13.622 5.680 671 HG2 ARG 86 HG2 ARG 86 -0.004 13.602 7.575 672 HG3 ARG 86 HG3 ARG 86 -1.320 14.007 8.677 673 HD2 ARG 86 HD2 ARG 86 -1.010 11.617 8.771 674 HD3 ARG 86 HD3 ARG 86 -2.508 11.924 7.898 675 HE ARG 86 HE ARG 86 -1.523 11.026 5.997 676 HH11 ARG 86 HH21 ARG 86 0.882 11.799 8.373 677 HH12 ARG 86 HH22 ARG 86 2.174 11.042 7.504 678 HH21 ARG 86 HH11 ARG 86 0.170 10.035 4.862 679 HH22 ARG 86 HH12 ARG 86 1.772 10.045 5.520 680 H MET 87 H MET 87 -3.781 16.533 6.271 681 HA MET 87 HA MET 87 -4.268 16.465 3.536 682 HB2 MET 87 HB2 MET 87 -5.914 16.907 5.450 683 HB3 MET 87 HB3 MET 87 -5.418 18.595 5.323 684 HG2 MET 87 HG2 MET 87 -5.865 18.178 2.735 685 HG3 MET 87 HG3 MET 87 -6.919 16.910 3.355 686 HE1 MET 87 HE1 MET 87 -9.095 18.860 5.919 687 HE2 MET 87 HE2 MET 87 -7.819 17.648 5.898 688 HE3 MET 87 HE3 MET 87 -9.221 17.460 4.851 689 H MET 88 H MET 88 -2.496 18.857 5.414 690 HA MET 88 HA MET 88 -2.608 21.111 3.878 691 HB2 MET 88 HB2 MET 88 -0.172 19.824 5.129 692 HB3 MET 88 HB3 MET 88 -0.213 21.477 4.514 693 HG2 MET 88 HG2 MET 88 -1.822 22.155 6.126 694 HG3 MET 88 HG3 MET 88 -2.226 20.490 6.541 695 HE1 MET 88 HE1 MET 88 0.694 22.804 6.026 696 HE2 MET 88 HE2 MET 88 1.584 21.287 5.926 697 HE3 MET 88 HE3 MET 88 1.878 22.386 7.271 698 H ARG 89 H ARG 89 -0.304 18.428 3.331 699 HA ARG 89 HA ARG 89 0.667 19.376 0.850 700 HB2 ARG 89 HB2 ARG 89 0.509 16.542 1.914 701 HB3 ARG 89 HB3 ARG 89 1.473 17.055 0.529 702 HG2 ARG 89 HG2 ARG 89 1.774 18.233 3.308 703 HG3 ARG 89 HG3 ARG 89 2.766 16.910 2.697 704 HD2 ARG 89 HD2 ARG 89 3.465 18.362 0.792 705 HD3 ARG 89 HD3 ARG 89 2.552 19.690 1.502 706 HE ARG 89 HE ARG 89 5.111 18.677 2.402 707 HH11 ARG 89 HH21 ARG 89 2.207 20.377 3.240 708 HH12 ARG 89 HH22 ARG 89 2.933 21.242 4.552 709 HH21 ARG 89 HH11 ARG 89 6.060 19.809 4.122 710 HH22 ARG 89 HH12 ARG 89 5.111 20.921 5.051 711 H LEU 90 H LEU 90 -2.004 17.249 1.728 712 HA LEU 90 HA LEU 90 -2.764 16.330 -0.802 713 HB2 LEU 90 HB2 LEU 90 -3.615 15.438 1.334 714 HB3 LEU 90 HB3 LEU 90 -4.497 16.940 1.602 715 HG LEU 90 HG LEU 90 -5.397 16.311 -0.878 716 HD11 LEU 90 HD11 LEU 90 -4.960 13.682 0.565 717 HD12 LEU 90 HD12 LEU 90 -4.115 14.194 -0.897 718 HD13 LEU 90 HD13 LEU 90 -5.854 13.901 -0.939 719 HD21 LEU 90 HD21 LEU 90 -7.393 15.402 0.297 720 HD22 LEU 90 HD22 LEU 90 -6.779 16.865 1.065 721 HD23 LEU 90 HD23 LEU 90 -6.443 15.289 1.779 722 H ALA 91 H ALA 91 -3.725 19.261 0.963 723 HA ALA 91 HA ALA 91 -5.728 20.174 -0.741 724 HB1 ALA 91 HB1 ALA 91 -5.142 21.169 1.471 725 HB2 ALA 91 HB2 ALA 91 -5.322 22.373 0.193 726 HB3 ALA 91 HB3 ALA 91 -3.713 21.888 0.729 727 H GLU 92 H GLU 92 -2.261 20.995 -0.803 728 HA GLU 92 HA GLU 92 -2.314 22.559 -3.144 729 HB2 GLU 92 HB2 GLU 92 -0.437 22.534 -1.538 730 HB3 GLU 92 HB3 GLU 92 -0.039 20.892 -2.039 731 HG2 GLU 92 HG2 GLU 92 -0.301 22.866 -4.239 732 HG3 GLU 92 HG3 GLU 92 1.066 23.117 -3.156 733 H ASN 93 H ASN 93 -2.169 19.085 -2.683 734 HA ASN 93 HA ASN 93 -1.259 18.412 -5.290 735 HB2 ASN 93 HB2 ASN 93 -2.848 16.799 -3.284 736 HB3 ASN 93 HB3 ASN 93 -2.103 16.142 -4.743 737 HD21 ASN 93 HD21 ASN 93 -1.355 15.292 -2.077 738 HD22 ASN 93 HD22 ASN 93 0.256 15.765 -1.821 739 H ILE 94 H ILE 94 -4.485 18.947 -3.939 740 HA ILE 94 HA ILE 94 -6.047 17.835 -5.951 741 HB ILE 94 HB ILE 94 -6.461 20.145 -4.076 742 HG12 ILE 94 HG12 ILE 94 -8.062 17.606 -4.428 743 HG13 ILE 94 HG13 ILE 94 -6.579 17.641 -3.470 744 HG21 ILE 94 HG21 ILE 94 -8.887 20.088 -4.923 745 HG22 ILE 94 HG22 ILE 94 -8.251 19.281 -6.355 746 HG23 ILE 94 HG23 ILE 94 -7.717 20.912 -5.953 747 HD11 ILE 94 HD11 ILE 94 -8.566 18.002 -2.046 748 HD12 ILE 94 HD12 ILE 94 -9.004 19.408 -3.014 749 HD13 ILE 94 HD13 ILE 94 -7.524 19.424 -2.056 750 HA PRO 95 HA PRO 95 -5.882 21.953 -8.444 751 HB2 PRO 95 HB2 PRO 95 -4.021 23.821 -7.708 752 HB3 PRO 95 HB3 PRO 95 -5.675 23.786 -7.068 753 HG2 PRO 95 HG2 PRO 95 -3.148 22.819 -5.839 754 HG3 PRO 95 HG3 PRO 95 -4.518 23.661 -5.095 755 HD2 PRO 95 HD2 PRO 95 -4.145 20.963 -4.880 756 HD3 PRO 95 HD3 PRO 95 -5.748 21.725 -4.842 757 H SER 96 H SER 96 -2.996 20.447 -7.245 758 HA SER 96 HA SER 96 -1.112 21.188 -9.203 759 HB2 SER 96 HB2 SER 96 -0.625 19.949 -7.048 760 HB3 SER 96 HB3 SER 96 -1.273 18.504 -7.816 761 HG SER 96 HG SER 96 0.302 18.857 -9.489 762 H ARG 97 H ARG 97 -3.580 18.817 -8.991 763 HA ARG 97 HA ARG 97 -3.066 17.178 -11.150 764 HB2 ARG 97 HB2 ARG 97 -5.610 18.111 -9.844 765 HB3 ARG 97 HB3 ARG 97 -5.567 16.874 -11.066 766 HG2 ARG 97 HG2 ARG 97 -3.912 15.605 -9.670 767 HG3 ARG 97 HG3 ARG 97 -4.157 16.805 -8.404 768 HD2 ARG 97 HD2 ARG 97 -6.280 14.999 -9.591 769 HD3 ARG 97 HD3 ARG 97 -5.577 14.861 -7.983 770 HE ARG 97 HE ARG 97 -6.661 17.446 -8.258 771 HH11 ARG 97 HH21 ARG 97 -7.630 14.122 -8.106 772 HH12 ARG 97 HH22 ARG 97 -9.179 14.466 -7.411 773 HH21 ARG 97 HH11 ARG 97 -8.689 17.895 -7.354 774 HH22 ARG 97 HH12 ARG 97 -9.774 16.598 -6.986 775 H CYS 98 H CYS 98 -4.809 20.298 -11.080 776 HA CYS 98 HA CYS 98 -5.014 20.185 -14.016 777 HB2 CYS 98 HB2 CYS 98 -6.300 22.364 -12.436 778 HB3 CYS 98 HB3 CYS 98 -6.826 21.590 -13.926 779 H ASN 99 H ASN 99 -3.055 21.376 -11.589 780 HA ASN 99 HA ASN 99 -2.616 23.993 -12.373 781 HB2 ASN 99 HB2 ASN 99 -0.802 22.023 -11.055 782 HB3 ASN 99 HB3 ASN 99 -0.190 23.572 -11.663 783 HD21 ASN 99 HD21 ASN 99 -2.520 25.169 -11.172 784 HD22 ASN 99 HD22 ASN 99 -2.721 25.309 -9.492 785 H LEU 100 H LEU 100 -1.087 24.955 -13.527 786 HA LEU 100 HA LEU 100 0.118 23.480 -15.759 787 HB2 LEU 100 HB2 LEU 100 -1.119 25.677 -16.939 788 HB3 LEU 100 HB3 LEU 100 -1.704 24.012 -16.996 789 HG LEU 100 HG LEU 100 -2.750 24.594 -14.624 790 HD11 LEU 100 HD11 LEU 100 -1.743 27.159 -15.574 791 HD12 LEU 100 HD12 LEU 100 -2.299 26.685 -13.970 792 HD13 LEU 100 HD13 LEU 100 -3.463 27.202 -15.188 793 HD21 LEU 100 HD21 LEU 100 -4.027 24.040 -16.645 794 HD22 LEU 100 HD22 LEU 100 -3.933 25.728 -17.151 795 HD23 LEU 100 HD23 LEU 100 -4.803 25.292 -15.678 796 H SER 101 H SER 101 1.971 24.380 -16.459 797 HA SER 101 HA SER 101 3.589 26.026 -15.078 798 HB2 SER 101 HB2 SER 101 4.675 26.607 -17.291 799 HB3 SER 101 HB3 SER 101 4.455 24.887 -16.980 800 HG SER 101 HG SER 101 2.451 25.105 -18.190 801 HA PRO 102 HA PRO 102 1.177 29.853 -15.566 802 HB2 PRO 102 HB2 PRO 102 2.240 30.612 -12.969 803 HB3 PRO 102 HB3 PRO 102 0.571 30.199 -13.399 804 HG2 PRO 102 HG2 PRO 102 2.121 28.653 -11.788 805 HG3 PRO 102 HG3 PRO 102 0.821 28.006 -12.810 806 HD2 PRO 102 HD2 PRO 102 3.783 28.035 -13.350 807 HD3 PRO 102 HD3 PRO 102 2.603 26.720 -13.582 808 H MET 103 H MET 103 1.898 31.820 -16.334 809 HA MET 103 HA MET 103 4.663 32.118 -16.937 810 HB2 MET 103 HB2 MET 103 2.775 33.031 -18.310 811 HB3 MET 103 HB3 MET 103 2.509 34.241 -17.054 812 HG2 MET 103 HG2 MET 103 4.908 34.956 -17.333 813 HG3 MET 103 HG3 MET 103 5.019 33.861 -18.711 814 HE1 MET 103 HE1 MET 103 2.779 35.182 -21.366 815 HE2 MET 103 HE2 MET 103 2.001 34.229 -20.106 816 HE3 MET 103 HE3 MET 103 3.634 33.823 -20.625 817 H ARG 104 H ARG 104 2.533 34.142 -14.882 818 HA ARG 104 HA ARG 104 4.704 34.485 -12.965 819 HB2 ARG 104 HB2 ARG 104 4.144 36.451 -14.982 820 HB3 ARG 104 HB3 ARG 104 3.726 37.111 -13.402 821 HG2 ARG 104 HG2 ARG 104 6.368 35.763 -14.044 822 HG3 ARG 104 HG3 ARG 104 6.120 37.507 -14.043 823 HD2 ARG 104 HD2 ARG 104 6.077 35.594 -11.722 824 HD3 ARG 104 HD3 ARG 104 6.959 37.107 -11.889 825 HE ARG 104 HE ARG 104 4.322 36.803 -10.847 826 HH11 ARG 104 HH21 ARG 104 6.312 38.866 -12.800 827 HH12 ARG 104 HH22 ARG 104 5.415 40.299 -12.433 828 HH21 ARG 104 HH11 ARG 104 3.152 38.680 -10.370 829 HH22 ARG 104 HH12 ARG 104 3.628 40.195 -11.061 830 H CYS 105 H CYS 105 3.995 34.926 -10.916 831 HA CYS 105 HA CYS 105 1.095 34.862 -10.496 832 HB2 CYS 105 HB2 CYS 105 3.485 34.392 -8.733 833 HB3 CYS 105 HB3 CYS 105 1.896 34.698 -8.030 834 HA PRO 106 HA PRO 106 1.362 39.345 -10.086 835 HB2 PRO 106 HB2 PRO 106 -1.489 39.167 -9.404 836 HB3 PRO 106 HB3 PRO 106 -0.704 40.015 -10.746 837 HG2 PRO 106 HG2 PRO 106 -2.180 37.776 -11.072 838 HG3 PRO 106 HG3 PRO 106 -0.835 38.221 -12.133 839 HD2 PRO 106 HD2 PRO 106 -0.932 36.144 -9.987 840 HD3 PRO 106 HD3 PRO 106 -0.022 36.154 -11.512 841 H MET 107 H MET 107 1.185 37.119 -7.755 842 HA MET 107 HA MET 107 0.104 38.631 -5.566 843 HB2 MET 107 HB2 MET 107 1.730 36.157 -5.854 844 HB3 MET 107 HB3 MET 107 1.409 36.829 -4.261 845 HG2 MET 107 HG2 MET 107 -0.324 35.200 -5.875 846 HG3 MET 107 HG3 MET 107 -0.603 35.836 -4.258 847 HE1 MET 107 HE1 MET 107 -2.358 35.871 -7.736 848 HE2 MET 107 HE2 MET 107 -0.634 36.200 -7.868 849 HE3 MET 107 HE3 MET 107 -1.798 37.446 -8.306 850 H GLY 108 H GLY 108 1.120 40.544 -5.476 851 HA2 GLY 108 HA2 GLY 108 2.660 41.996 -4.605 852 HA3 GLY 108 HA3 GLY 108 3.604 40.625 -4.057 853 H GLY 109 H GLY 109 2.651 40.934 -7.392 854 HA2 GLY 109 HA2 GLY 109 3.908 41.061 -9.323 855 HA3 GLY 109 HA3 GLY 109 4.716 42.399 -8.512 856 H SER 110 H SER 110 4.652 38.831 -8.282 857 HA SER 110 HA SER 110 7.174 38.459 -7.180 858 HB2 SER 110 HB2 SER 110 5.808 36.653 -9.187 859 HB3 SER 110 HB3 SER 110 7.062 36.185 -8.041 860 HG SER 110 HG SER 110 4.447 37.139 -7.474 861 H ILE 111 H ILE 111 9.217 38.004 -8.035 862 HA ILE 111 HA ILE 111 9.635 38.883 -10.835 863 HB ILE 111 HB ILE 111 11.478 39.253 -8.455 864 HG12 ILE 111 HG12 ILE 111 9.967 41.309 -10.104 865 HG13 ILE 111 HG13 ILE 111 9.443 40.734 -8.520 866 HG21 ILE 111 HG21 ILE 111 12.746 38.906 -10.510 867 HG22 ILE 111 HG22 ILE 111 12.801 40.616 -10.090 868 HG23 ILE 111 HG23 ILE 111 11.727 40.058 -11.372 869 HD11 ILE 111 HD11 ILE 111 11.986 42.243 -9.179 870 HD12 ILE 111 HD12 ILE 111 11.703 41.460 -7.624 871 HD13 ILE 111 HD13 ILE 111 10.656 42.777 -8.151 872 H ALA 112 H ALA 112 11.070 36.959 -8.203 873 HA ALA 112 HA ALA 112 12.723 35.375 -9.902 874 HB1 ALA 112 HB1 ALA 112 11.701 34.684 -7.140 875 HB2 ALA 112 HB2 ALA 112 13.078 35.750 -7.419 876 HB3 ALA 112 HB3 ALA 112 13.151 34.064 -7.932 877 H GLY 113 H GLY 113 12.181 32.768 -9.130 878 HA2 GLY 113 HA2 GLY 113 9.830 32.301 -10.728 879 HA3 GLY 113 HA3 GLY 113 10.831 31.047 -9.970 880 H PHE 114 H PHE 114 8.143 33.141 -9.662 881 HA PHE 114 HA PHE 114 7.498 33.365 -7.068 882 HB2 PHE 114 HB2 PHE 114 5.101 33.142 -7.710 883 HB3 PHE 114 HB3 PHE 114 6.019 34.172 -8.810 884 HD1 PHE 114 HD1 PHE 114 6.690 33.344 -11.051 885 HD2 PHE 114 HD2 PHE 114 4.214 31.008 -8.428 886 HE1 PHE 114 HE1 PHE 114 6.053 31.884 -12.951 887 HE2 PHE 114 HE2 PHE 114 3.579 29.550 -10.329 888 HZ PHE 114 HZ PHE 114 4.498 29.987 -12.588 Start of MODEL 5 1 H1 GLU 1 H1 GLU 1 1.873 44.816 -6.405 2 H2 GLU 1 H2 GLU 1 2.636 43.854 -7.580 3 H3 GLU 1 H3 GLU 1 2.489 43.294 -5.982 4 HA GLU 1 HA GLU 1 0.866 42.167 -7.273 5 HB2 GLU 1 HB2 GLU 1 0.232 43.031 -4.989 6 HB3 GLU 1 HB3 GLU 1 -0.499 44.425 -5.781 7 HG2 GLU 1 HG2 GLU 1 -2.267 42.844 -5.412 8 HG3 GLU 1 HG3 GLU 1 -1.899 42.800 -7.133 9 H ALA 2 H ALA 2 -0.119 42.118 -9.205 10 HA ALA 2 HA ALA 2 -0.113 44.349 -10.955 11 HB1 ALA 2 HB1 ALA 2 -0.019 42.011 -11.744 12 HB2 ALA 2 HB2 ALA 2 -1.347 42.897 -12.492 13 HB3 ALA 2 HB3 ALA 2 -1.672 41.763 -11.180 14 H GLU 3 H GLU 3 -1.781 45.644 -11.703 15 HA GLU 3 HA GLU 3 -3.773 46.391 -9.848 16 HB2 GLU 3 HB2 GLU 3 -4.542 47.928 -11.515 17 HB3 GLU 3 HB3 GLU 3 -2.786 47.857 -11.649 18 HG2 GLU 3 HG2 GLU 3 -4.747 46.326 -13.392 19 HG3 GLU 3 HG3 GLU 3 -3.864 47.770 -13.875 20 H ALA 4 H ALA 4 -3.747 44.065 -12.439 21 HA ALA 4 HA ALA 4 -6.576 43.817 -12.717 22 HB1 ALA 4 HB1 ALA 4 -5.041 43.101 -14.496 23 HB2 ALA 4 HB2 ALA 4 -6.052 41.757 -13.965 24 HB3 ALA 4 HB3 ALA 4 -4.375 41.865 -13.428 25 H GLN 5 H GLN 5 -4.583 43.075 -10.210 26 HA GLN 5 HA GLN 5 -5.299 40.571 -9.270 27 HB2 GLN 5 HB2 GLN 5 -3.627 41.954 -8.184 28 HB3 GLN 5 HB3 GLN 5 -4.850 43.155 -7.772 29 HG2 GLN 5 HG2 GLN 5 -5.161 40.305 -6.852 30 HG3 GLN 5 HG3 GLN 5 -4.110 41.400 -5.963 31 HE21 GLN 5 HE21 GLN 5 -7.044 40.181 -5.592 32 HE22 GLN 5 HE22 GLN 5 -7.905 41.529 -5.022 33 H GLU 6 H GLU 6 -7.046 43.641 -9.033 34 HA GLU 6 HA GLU 6 -9.086 42.915 -7.287 35 HB2 GLU 6 HB2 GLU 6 -10.362 44.741 -8.261 36 HB3 GLU 6 HB3 GLU 6 -8.669 45.217 -8.125 37 HG2 GLU 6 HG2 GLU 6 -8.367 44.490 -10.531 38 HG3 GLU 6 HG3 GLU 6 -10.116 44.288 -10.621 39 H GLU 7 H GLU 7 -8.836 42.391 -10.787 40 HA GLU 7 HA GLU 7 -11.419 41.459 -11.298 41 HB2 GLU 7 HB2 GLU 7 -9.653 41.940 -13.023 42 HB3 GLU 7 HB3 GLU 7 -8.863 40.433 -12.566 43 HG2 GLU 7 HG2 GLU 7 -11.777 40.481 -13.358 44 HG3 GLU 7 HG3 GLU 7 -10.512 40.389 -14.577 45 H CYS 8 H CYS 8 -8.545 39.836 -10.077 46 HA CYS 8 HA CYS 8 -9.568 37.217 -10.113 47 HB2 CYS 8 HB2 CYS 8 -7.497 38.331 -8.216 48 HB3 CYS 8 HB3 CYS 8 -7.704 36.646 -8.693 49 H ARG 9 H ARG 9 -9.469 39.673 -7.539 50 HA ARG 9 HA ARG 9 -10.565 38.147 -5.470 51 HB2 ARG 9 HB2 ARG 9 -9.577 40.432 -5.230 52 HB3 ARG 9 HB3 ARG 9 -11.035 41.097 -5.967 53 HG2 ARG 9 HG2 ARG 9 -12.399 40.081 -4.164 54 HG3 ARG 9 HG3 ARG 9 -10.929 39.454 -3.418 55 HD2 ARG 9 HD2 ARG 9 -10.078 41.804 -3.246 56 HD3 ARG 9 HD3 ARG 9 -11.631 42.371 -3.855 57 HE ARG 9 HE ARG 9 -12.551 41.947 -1.765 58 HH11 ARG 9 HH21 ARG 9 -9.481 40.369 -2.100 59 HH12 ARG 9 HH22 ARG 9 -9.397 39.887 -0.438 60 HH21 ARG 9 HH11 ARG 9 -12.439 41.314 0.410 61 HH22 ARG 9 HH12 ARG 9 -11.069 40.422 0.980 62 H GLU 10 H GLU 10 -12.231 40.260 -7.814 63 HA GLU 10 HA GLU 10 -14.859 39.697 -6.935 64 HB2 GLU 10 HB2 GLU 10 -14.346 41.618 -8.363 65 HB3 GLU 10 HB3 GLU 10 -13.861 40.539 -9.670 66 HG2 GLU 10 HG2 GLU 10 -16.574 40.114 -8.507 67 HG3 GLU 10 HG3 GLU 10 -16.346 41.557 -9.493 68 H GLN 11 H GLN 11 -12.844 38.280 -9.474 69 HA GLN 11 HA GLN 11 -14.686 36.478 -10.558 70 HB2 GLN 11 HB2 GLN 11 -12.381 37.106 -11.436 71 HB3 GLN 11 HB3 GLN 11 -11.725 35.950 -10.279 72 HG2 GLN 11 HG2 GLN 11 -13.107 34.168 -11.282 73 HG3 GLN 11 HG3 GLN 11 -13.757 35.323 -12.441 74 HE21 GLN 11 HE21 GLN 11 -12.596 33.358 -13.771 75 HE22 GLN 11 HE22 GLN 11 -11.016 33.723 -14.273 76 H MET 12 H MET 12 -12.645 36.246 -7.703 77 HA MET 12 HA MET 12 -12.690 33.547 -7.157 78 HB2 MET 12 HB2 MET 12 -11.482 35.259 -5.820 79 HB3 MET 12 HB3 MET 12 -13.020 35.751 -5.112 80 HG2 MET 12 HG2 MET 12 -11.861 34.166 -3.629 81 HG3 MET 12 HG3 MET 12 -13.353 33.457 -4.244 82 HE1 MET 12 HE1 MET 12 -9.570 33.358 -4.017 83 HE2 MET 12 HE2 MET 12 -9.390 31.620 -4.240 84 HE3 MET 12 HE3 MET 12 -10.498 32.234 -3.016 85 H GLN 13 H GLN 13 -15.267 35.918 -6.540 86 HA GLN 13 HA GLN 13 -16.957 34.326 -4.988 87 HB2 GLN 13 HB2 GLN 13 -17.323 36.743 -5.450 88 HB3 GLN 13 HB3 GLN 13 -17.809 36.330 -7.093 89 HG2 GLN 13 HG2 GLN 13 -19.830 36.531 -5.821 90 HG3 GLN 13 HG3 GLN 13 -19.568 34.805 -6.061 91 HE21 GLN 13 HE21 GLN 13 -18.701 37.365 -3.657 92 HE22 GLN 13 HE22 GLN 13 -18.906 36.357 -2.306 93 H ARG 14 H ARG 14 -16.727 34.590 -8.518 94 HA ARG 14 HA ARG 14 -18.797 32.821 -9.184 95 HB2 ARG 14 HB2 ARG 14 -17.626 34.369 -10.788 96 HB3 ARG 14 HB3 ARG 14 -16.226 33.301 -10.721 97 HG2 ARG 14 HG2 ARG 14 -17.419 32.575 -12.634 98 HG3 ARG 14 HG3 ARG 14 -17.856 31.413 -11.383 99 HD2 ARG 14 HD2 ARG 14 -19.872 32.113 -12.558 100 HD3 ARG 14 HD3 ARG 14 -19.915 32.743 -10.916 101 HE ARG 14 HE ARG 14 -19.793 34.891 -11.789 102 HH11 ARG 14 HH21 ARG 14 -18.902 32.542 -14.181 103 HH12 ARG 14 HH22 ARG 14 -18.845 33.689 -15.477 104 HH21 ARG 14 HH11 ARG 14 -19.716 36.390 -13.489 105 HH22 ARG 14 HH12 ARG 14 -19.304 35.863 -15.087 106 H GLN 15 H GLN 15 -15.344 32.400 -8.584 107 HA GLN 15 HA GLN 15 -15.438 29.573 -8.985 108 HB2 GLN 15 HB2 GLN 15 -13.388 31.594 -8.330 109 HB3 GLN 15 HB3 GLN 15 -13.109 29.997 -7.638 110 HG2 GLN 15 HG2 GLN 15 -12.066 29.973 -9.789 111 HG3 GLN 15 HG3 GLN 15 -13.552 29.044 -9.955 112 HE21 GLN 15 HE21 GLN 15 -15.284 29.958 -11.244 113 HE22 GLN 15 HE22 GLN 15 -15.049 31.334 -12.208 114 H GLN 16 H GLN 16 -17.248 29.259 -7.557 115 HA GLN 16 HA GLN 16 -16.820 29.517 -4.697 116 HB2 GLN 16 HB2 GLN 16 -19.063 28.219 -6.270 117 HB3 GLN 16 HB3 GLN 16 -19.068 28.503 -4.525 118 HG2 GLN 16 HG2 GLN 16 -18.785 30.930 -4.933 119 HG3 GLN 16 HG3 GLN 16 -18.821 30.632 -6.667 120 HE21 GLN 16 HE21 GLN 16 -20.718 32.361 -5.743 121 HE22 GLN 16 HE22 GLN 16 -22.245 31.630 -5.712 122 H MET 17 H MET 17 -14.802 28.086 -5.752 123 HA MET 17 HA MET 17 -15.147 25.286 -5.848 124 HB2 MET 17 HB2 MET 17 -12.891 25.196 -6.187 125 HB3 MET 17 HB3 MET 17 -13.110 26.918 -6.475 126 HG2 MET 17 HG2 MET 17 -12.764 27.098 -3.865 127 HG3 MET 17 HG3 MET 17 -11.973 25.536 -4.068 128 HE1 MET 17 HE1 MET 17 -11.042 29.659 -5.374 129 HE2 MET 17 HE2 MET 17 -12.598 28.835 -5.339 130 HE3 MET 17 HE3 MET 17 -11.631 28.814 -6.811 131 H LEU 18 H LEU 18 -14.750 27.488 -3.189 132 HA LEU 18 HA LEU 18 -13.794 25.768 -1.217 133 HB2 LEU 18 HB2 LEU 18 -15.251 27.366 0.305 134 HB3 LEU 18 HB3 LEU 18 -13.777 27.925 -0.476 135 HG LEU 18 HG LEU 18 -15.005 28.980 -2.249 136 HD11 LEU 18 HD11 LEU 18 -16.727 27.469 -2.787 137 HD12 LEU 18 HD12 LEU 18 -17.594 28.839 -2.108 138 HD13 LEU 18 HD13 LEU 18 -17.314 27.402 -1.128 139 HD21 LEU 18 HD21 LEU 18 -16.694 29.569 0.180 140 HD22 LEU 18 HD22 LEU 18 -16.110 30.687 -1.053 141 HD23 LEU 18 HD23 LEU 18 -14.989 30.018 0.132 142 H SER 19 H SER 19 -16.913 25.797 -2.727 143 HA SER 19 HA SER 19 -18.394 24.616 -0.579 144 HB2 SER 19 HB2 SER 19 -18.951 24.438 -3.550 145 HB3 SER 19 HB3 SER 19 -20.103 24.192 -2.240 146 HG SER 19 HG SER 19 -18.707 26.583 -2.885 147 H HIS 20 H HIS 20 -17.237 23.226 -3.652 148 HA HIS 20 HA HIS 20 -17.614 20.518 -2.868 149 HB2 HIS 20 HB2 HIS 20 -15.472 21.004 -4.830 150 HB3 HIS 20 HB3 HIS 20 -16.942 20.046 -4.987 151 HD2 HIS 20 HD2 HIS 20 -19.341 21.864 -5.355 152 HE1 HIS 20 HE1 HIS 20 -16.980 24.785 -7.279 153 HE2 HIS 20 HE2 HIS 20 -19.357 24.037 -6.801 154 H CYS 21 H CYS 21 -15.033 22.841 -2.677 155 HA CYS 21 HA CYS 21 -12.936 21.152 -1.869 156 HB2 CYS 21 HB2 CYS 21 -13.547 24.076 -1.644 157 HB3 CYS 21 HB3 CYS 21 -12.170 23.417 -0.755 158 H ARG 22 H ARG 22 -15.408 22.949 -0.047 159 HA ARG 22 HA ARG 22 -14.535 22.332 2.554 160 HB2 ARG 22 HB2 ARG 22 -16.301 23.979 2.151 161 HB3 ARG 22 HB3 ARG 22 -17.358 22.722 1.513 162 HG2 ARG 22 HG2 ARG 22 -18.029 23.081 3.785 163 HG3 ARG 22 HG3 ARG 22 -17.144 21.558 3.766 164 HD2 ARG 22 HD2 ARG 22 -15.094 22.773 4.489 165 HD3 ARG 22 HD3 ARG 22 -16.034 24.261 4.576 166 HE ARG 22 HE ARG 22 -16.992 23.489 6.555 167 HH11 ARG 22 HH21 ARG 22 -15.308 20.946 4.904 168 HH12 ARG 22 HH22 ARG 22 -15.448 19.822 6.215 169 HH21 ARG 22 HH11 ARG 22 -17.182 22.015 8.264 170 HH22 ARG 22 HH12 ARG 22 -16.512 20.426 8.112 171 H MET 23 H MET 23 -16.719 20.627 0.332 172 HA MET 23 HA MET 23 -17.385 18.464 1.995 173 HB2 MET 23 HB2 MET 23 -18.421 18.954 -0.240 174 HB3 MET 23 HB3 MET 23 -16.947 18.359 -1.003 175 HG2 MET 23 HG2 MET 23 -17.262 16.177 0.163 176 HG3 MET 23 HG3 MET 23 -18.785 16.778 0.821 177 HE1 MET 23 HE1 MET 23 -20.189 14.794 -0.230 178 HE2 MET 23 HE2 MET 23 -18.592 14.173 -0.640 179 HE3 MET 23 HE3 MET 23 -19.866 14.182 -1.858 180 H TYR 24 H TYR 24 -14.638 19.027 -0.154 181 HA TYR 24 HA TYR 24 -13.376 16.531 0.092 182 HB2 TYR 24 HB2 TYR 24 -12.309 17.669 -1.551 183 HB3 TYR 24 HB3 TYR 24 -12.640 19.234 -0.824 184 HD1 TYR 24 HD2 TYR 24 -10.666 16.157 0.099 185 HD2 TYR 24 HD1 TYR 24 -10.753 20.441 -0.220 186 HE1 TYR 24 HE2 TYR 24 -8.332 16.265 0.921 187 HE2 TYR 24 HE1 TYR 24 -8.417 20.548 0.603 188 HH TYR 24 HH TYR 24 -6.688 17.611 1.616 189 H MET 25 H MET 25 -13.125 19.474 2.071 190 HA MET 25 HA MET 25 -11.046 18.676 3.778 191 HB2 MET 25 HB2 MET 25 -13.478 20.354 4.432 192 HB3 MET 25 HB3 MET 25 -11.992 20.294 5.378 193 HG2 MET 25 HG2 MET 25 -12.080 21.113 2.463 194 HG3 MET 25 HG3 MET 25 -12.148 22.261 3.796 195 HE1 MET 25 HE1 MET 25 -10.133 21.158 6.010 196 HE2 MET 25 HE2 MET 25 -10.535 22.757 5.393 197 HE3 MET 25 HE3 MET 25 -8.850 22.250 5.471 198 H ARG 26 H ARG 26 -14.553 18.559 4.444 199 HA ARG 26 HA ARG 26 -14.385 17.015 6.779 200 HB2 ARG 26 HB2 ARG 26 -16.408 18.270 5.943 201 HB3 ARG 26 HB3 ARG 26 -16.656 16.970 4.778 202 HG2 ARG 26 HG2 ARG 26 -16.811 15.343 6.630 203 HG3 ARG 26 HG3 ARG 26 -16.576 16.646 7.794 204 HD2 ARG 26 HD2 ARG 26 -18.856 16.465 5.804 205 HD3 ARG 26 HD3 ARG 26 -18.973 16.091 7.522 206 HE ARG 26 HE ARG 26 -17.963 18.657 7.417 207 HH11 ARG 26 HH21 ARG 26 -20.759 16.990 6.225 208 HH12 ARG 26 HH22 ARG 26 -21.781 18.387 6.286 209 HH21 ARG 26 HH11 ARG 26 -19.300 20.483 7.494 210 HH22 ARG 26 HH12 ARG 26 -20.956 20.362 7.003 211 H GLN 27 H GLN 27 -14.726 16.105 3.395 212 HA GLN 27 HA GLN 27 -14.996 13.337 3.710 213 HB2 GLN 27 HB2 GLN 27 -15.416 14.389 1.560 214 HB3 GLN 27 HB3 GLN 27 -13.751 14.955 1.470 215 HG2 GLN 27 HG2 GLN 27 -14.206 12.890 0.104 216 HG3 GLN 27 HG3 GLN 27 -12.918 12.695 1.289 217 HE21 GLN 27 HE21 GLN 27 -13.697 11.773 3.485 218 HE22 GLN 27 HE22 GLN 27 -14.890 10.543 3.410 219 H GLN 28 H GLN 28 -12.169 15.450 3.597 220 HA GLN 28 HA GLN 28 -10.213 13.461 3.424 221 HB2 GLN 28 HB2 GLN 28 -9.836 15.914 3.228 222 HB3 GLN 28 HB3 GLN 28 -10.103 16.018 4.961 223 HG2 GLN 28 HG2 GLN 28 -8.045 14.106 3.908 224 HG3 GLN 28 HG3 GLN 28 -7.643 15.815 4.037 225 HE21 GLN 28 HE21 GLN 28 -6.599 13.486 5.652 226 HE22 GLN 28 HE22 GLN 28 -6.926 13.889 7.269 227 H MET 29 H MET 29 -11.941 14.853 6.190 228 HA MET 29 HA MET 29 -10.480 13.529 8.215 229 HB2 MET 29 HB2 MET 29 -13.384 14.385 8.217 230 HB3 MET 29 HB3 MET 29 -12.461 13.921 9.642 231 HG2 MET 29 HG2 MET 29 -10.797 15.756 8.974 232 HG3 MET 29 HG3 MET 29 -12.036 16.318 7.853 233 HE1 MET 29 HE1 MET 29 -14.437 16.220 8.544 234 HE2 MET 29 HE2 MET 29 -15.027 17.159 9.911 235 HE3 MET 29 HE3 MET 29 -14.758 15.428 10.091 236 H GLU 30 H GLU 30 -13.597 12.624 6.681 237 HA GLU 30 HA GLU 30 -13.746 10.086 7.980 238 HB2 GLU 30 HB2 GLU 30 -15.077 11.127 5.472 239 HB3 GLU 30 HB3 GLU 30 -15.432 9.555 6.186 240 HG2 GLU 30 HG2 GLU 30 -17.045 10.796 7.261 241 HG3 GLU 30 HG3 GLU 30 -15.716 11.045 8.391 242 H GLU 31 H GLU 31 -12.474 11.139 4.873 243 HA GLU 31 HA GLU 31 -11.951 8.590 3.772 244 HB2 GLU 31 HB2 GLU 31 -12.038 10.850 2.581 245 HB3 GLU 31 HB3 GLU 31 -10.386 11.090 3.146 246 HG2 GLU 31 HG2 GLU 31 -9.741 8.949 2.048 247 HG3 GLU 31 HG3 GLU 31 -11.380 8.793 1.434 248 H SER 32 H SER 32 -10.593 9.951 6.467 249 HA SER 32 HA SER 32 -7.897 9.725 6.454 250 HB2 SER 32 HB2 SER 32 -8.013 9.061 8.795 251 HB3 SER 32 HB3 SER 32 -9.261 10.253 8.449 252 HG SER 32 HG SER 32 -9.629 7.435 8.444 253 H THR 33 H THR 33 -10.144 7.132 5.985 254 HA THR 33 HA THR 33 -8.312 4.994 6.548 255 HB THR 33 HB THR 33 -10.058 3.586 5.451 256 HG1 THR 33 HG1 THR 33 -10.889 6.109 4.704 257 HG21 THR 33 HG21 THR 33 -11.766 3.982 7.159 258 HG22 THR 33 HG22 THR 33 -11.120 5.594 7.458 259 HG23 THR 33 HG23 THR 33 -10.160 4.171 7.863 260 H TYR 34 H TYR 34 -9.837 6.001 3.482 261 HA TYR 34 HA TYR 34 -7.651 4.757 1.973 262 HB2 TYR 34 HB2 TYR 34 -10.338 5.775 1.043 263 HB3 TYR 34 HB3 TYR 34 -9.168 4.895 0.059 264 HD1 TYR 34 HD2 TYR 34 -8.470 2.549 0.795 265 HD2 TYR 34 HD1 TYR 34 -11.847 4.619 2.460 266 HE1 TYR 34 HE2 TYR 34 -9.370 0.400 1.642 267 HE2 TYR 34 HE1 TYR 34 -12.746 2.469 3.308 268 HH TYR 34 HH TYR 34 -11.920 0.240 3.901 269 H GLN 35 H GLN 35 -8.034 7.797 3.126 270 HA GLN 35 HA GLN 35 -8.029 9.705 1.272 271 HB2 GLN 35 HB2 GLN 35 -6.476 11.016 2.470 272 HB3 GLN 35 HB3 GLN 35 -7.318 10.032 3.671 273 HG2 GLN 35 HG2 GLN 35 -4.612 9.356 2.462 274 HG3 GLN 35 HG3 GLN 35 -4.841 10.122 4.029 275 HE21 GLN 35 HE21 GLN 35 -7.378 8.394 4.355 276 HE22 GLN 35 HE22 GLN 35 -6.772 6.891 4.846 277 H THR 36 H THR 36 -5.441 7.297 1.454 278 HA THR 36 HA THR 36 -3.612 8.597 -0.237 279 HB THR 36 HB THR 36 -2.945 6.186 -0.859 280 HG1 THR 36 HG1 THR 36 -4.981 5.743 1.063 281 HG21 THR 36 HG21 THR 36 -2.096 5.757 1.471 282 HG22 THR 36 HG22 THR 36 -3.082 7.113 2.020 283 HG23 THR 36 HG23 THR 36 -1.767 7.386 0.878 284 H MET 37 H MET 37 -4.271 9.522 -2.052 285 HA MET 37 HA MET 37 -6.415 8.713 -3.674 286 HB2 MET 37 HB2 MET 37 -3.997 10.309 -4.539 287 HB3 MET 37 HB3 MET 37 -5.591 10.311 -5.291 288 HG2 MET 37 HG2 MET 37 -6.045 10.871 -2.562 289 HG3 MET 37 HG3 MET 37 -4.648 11.844 -3.022 290 HE1 MET 37 HE1 MET 37 -5.769 14.429 -5.358 291 HE2 MET 37 HE2 MET 37 -4.497 13.236 -5.109 292 HE3 MET 37 HE3 MET 37 -5.049 14.220 -3.757 293 HA PRO 38 HA PRO 38 -4.198 5.391 -5.761 294 HB2 PRO 38 HB2 PRO 38 -6.366 3.987 -6.515 295 HB3 PRO 38 HB3 PRO 38 -5.839 4.031 -4.821 296 HG2 PRO 38 HG2 PRO 38 -8.096 5.433 -6.137 297 HG3 PRO 38 HG3 PRO 38 -7.962 4.796 -4.490 298 HD2 PRO 38 HD2 PRO 38 -7.608 7.495 -5.267 299 HD3 PRO 38 HD3 PRO 38 -7.186 6.789 -3.691 300 H ARG 39 H ARG 39 -3.742 4.971 -7.949 301 HA ARG 39 HA ARG 39 -4.337 6.971 -9.859 302 HB2 ARG 39 HB2 ARG 39 -3.529 4.119 -10.439 303 HB3 ARG 39 HB3 ARG 39 -3.300 5.518 -11.482 304 HG2 ARG 39 HG2 ARG 39 -1.834 6.548 -9.739 305 HG3 ARG 39 HG3 ARG 39 -1.975 5.067 -8.791 306 HD2 ARG 39 HD2 ARG 39 -1.079 3.803 -10.784 307 HD3 ARG 39 HD3 ARG 39 -0.770 5.355 -11.556 308 HE ARG 39 HE ARG 39 1.050 5.649 -10.138 309 HH11 ARG 39 HH21 ARG 39 -0.989 3.077 -9.024 310 HH12 ARG 39 HH22 ARG 39 0.123 2.540 -7.810 311 HH21 ARG 39 HH11 ARG 39 2.506 4.946 -8.548 312 HH22 ARG 39 HH12 ARG 39 2.099 3.598 -7.541 313 H ARG 40 H ARG 40 -5.715 3.794 -9.181 314 HA ARG 40 HA ARG 40 -7.415 3.674 -11.437 315 HB2 ARG 40 HB2 ARG 40 -7.546 2.329 -8.734 316 HB3 ARG 40 HB3 ARG 40 -8.674 1.980 -10.045 317 HG2 ARG 40 HG2 ARG 40 -5.686 1.844 -10.451 318 HG3 ARG 40 HG3 ARG 40 -6.600 0.463 -9.849 319 HD2 ARG 40 HD2 ARG 40 -7.178 1.929 -12.440 320 HD3 ARG 40 HD3 ARG 40 -6.316 0.400 -12.321 321 HE ARG 40 HE ARG 40 -9.170 0.790 -12.100 322 HH11 ARG 40 HH21 ARG 40 -6.458 -1.187 -11.227 323 HH12 ARG 40 HH22 ARG 40 -7.405 -2.619 -11.002 324 HH21 ARG 40 HH11 ARG 40 -10.407 -1.084 -11.804 325 HH22 ARG 40 HH12 ARG 40 -9.638 -2.561 -11.328 326 H GLY 41 H GLY 41 -8.599 5.379 -11.801 327 HA2 GLY 41 HA2 GLY 41 -10.335 6.896 -11.633 328 HA3 GLY 41 HA3 GLY 41 -11.066 5.757 -10.506 329 H MET 42 H MET 42 -8.927 8.536 -10.801 330 HA MET 42 HA MET 42 -8.219 8.944 -8.136 331 HB2 MET 42 HB2 MET 42 -8.805 10.976 -10.304 332 HB3 MET 42 HB3 MET 42 -8.021 11.351 -8.769 333 HG2 MET 42 HG2 MET 42 -6.243 9.690 -9.302 334 HG3 MET 42 HG3 MET 42 -7.003 9.414 -10.870 335 HE1 MET 42 HE1 MET 42 -4.030 10.164 -10.633 336 HE2 MET 42 HE2 MET 42 -3.868 11.376 -11.901 337 HE3 MET 42 HE3 MET 42 -4.884 9.961 -12.168 338 H GLU 43 H GLU 43 -9.049 10.686 -6.678 339 HA GLU 43 HA GLU 43 -11.789 10.215 -6.067 340 HB2 GLU 43 HB2 GLU 43 -10.006 10.738 -4.388 341 HB3 GLU 43 HB3 GLU 43 -9.994 12.397 -4.985 342 HG2 GLU 43 HG2 GLU 43 -12.169 12.830 -4.211 343 HG3 GLU 43 HG3 GLU 43 -12.579 11.119 -4.121 344 HA PRO 44 HA PRO 44 -13.412 13.285 -8.887 345 HB2 PRO 44 HB2 PRO 44 -16.032 13.067 -8.084 346 HB3 PRO 44 HB3 PRO 44 -15.238 11.934 -9.193 347 HG2 PRO 44 HG2 PRO 44 -15.801 11.658 -6.288 348 HG3 PRO 44 HG3 PRO 44 -15.877 10.444 -7.576 349 HD2 PRO 44 HD2 PRO 44 -13.792 10.611 -5.815 350 HD3 PRO 44 HD3 PRO 44 -13.612 9.994 -7.471 351 H HIS 45 H HIS 45 -13.922 13.296 -5.407 352 HA HIS 45 HA HIS 45 -15.242 15.705 -5.021 353 HB2 HIS 45 HB2 HIS 45 -12.990 14.561 -3.347 354 HB3 HIS 45 HB3 HIS 45 -14.147 15.782 -2.818 355 HD2 HIS 45 HD2 HIS 45 -16.839 14.789 -2.476 356 HE1 HIS 45 HE1 HIS 45 -15.747 10.718 -2.703 357 HE2 HIS 45 HE2 HIS 45 -17.624 12.324 -2.122 358 H MET 46 H MET 46 -11.764 15.129 -5.453 359 HA MET 46 HA MET 46 -10.947 17.831 -5.152 360 HB2 MET 46 HB2 MET 46 -9.584 15.672 -6.782 361 HB3 MET 46 HB3 MET 46 -8.837 17.106 -6.079 362 HG2 MET 46 HG2 MET 46 -9.908 14.666 -4.667 363 HG3 MET 46 HG3 MET 46 -8.301 15.380 -4.556 364 HE1 MET 46 HE1 MET 46 -9.880 14.869 -1.567 365 HE2 MET 46 HE2 MET 46 -10.913 14.441 -2.927 366 HE3 MET 46 HE3 MET 46 -11.481 15.602 -1.734 367 H SER 47 H SER 47 -11.926 15.879 -7.914 368 HA SER 47 HA SER 47 -11.224 17.601 -9.997 369 HB2 SER 47 HB2 SER 47 -13.642 15.791 -9.919 370 HB3 SER 47 HB3 SER 47 -12.794 16.369 -11.350 371 HG SER 47 HG SER 47 -11.761 14.697 -9.295 372 H GLU 48 H GLU 48 -14.068 17.626 -7.894 373 HA GLU 48 HA GLU 48 -15.693 19.359 -9.374 374 HB2 GLU 48 HB2 GLU 48 -15.434 19.073 -6.371 375 HB3 GLU 48 HB3 GLU 48 -16.747 19.916 -7.191 376 HG2 GLU 48 HG2 GLU 48 -16.044 16.979 -7.450 377 HG3 GLU 48 HG3 GLU 48 -17.475 17.654 -6.675 378 H CYS 49 H CYS 49 -13.242 20.137 -6.901 379 HA CYS 49 HA CYS 49 -13.600 22.965 -7.116 380 HB2 CYS 49 HB2 CYS 49 -11.488 21.201 -5.897 381 HB3 CYS 49 HB3 CYS 49 -11.257 22.945 -5.993 382 H CYS 50 H CYS 50 -11.710 20.595 -8.828 383 HA CYS 50 HA CYS 50 -9.653 22.054 -9.927 384 HB2 CYS 50 HB2 CYS 50 -10.084 19.592 -10.198 385 HB3 CYS 50 HB3 CYS 50 -11.250 20.005 -11.458 386 H GLU 51 H GLU 51 -12.978 21.818 -11.238 387 HA GLU 51 HA GLU 51 -12.516 23.239 -13.602 388 HB2 GLU 51 HB2 GLU 51 -15.007 22.978 -11.919 389 HB3 GLU 51 HB3 GLU 51 -14.983 23.801 -13.477 390 HG2 GLU 51 HG2 GLU 51 -15.577 21.636 -14.109 391 HG3 GLU 51 HG3 GLU 51 -13.830 21.602 -14.325 392 H GLN 52 H GLN 52 -13.147 24.440 -10.346 393 HA GLN 52 HA GLN 52 -13.739 27.103 -10.970 394 HB2 GLN 52 HB2 GLN 52 -12.750 25.650 -8.583 395 HB3 GLN 52 HB3 GLN 52 -12.492 27.397 -8.606 396 HG2 GLN 52 HG2 GLN 52 -14.655 26.940 -7.597 397 HG3 GLN 52 HG3 GLN 52 -14.892 27.698 -9.163 398 HE21 GLN 52 HE21 GLN 52 -16.871 26.738 -9.813 399 HE22 GLN 52 HE22 GLN 52 -17.092 25.063 -9.971 400 H LEU 53 H LEU 53 -10.582 25.881 -9.837 401 HA LEU 53 HA LEU 53 -9.109 28.216 -10.354 402 HB2 LEU 53 HB2 LEU 53 -7.856 25.523 -10.747 403 HB3 LEU 53 HB3 LEU 53 -7.200 26.938 -9.954 404 HG LEU 53 HG LEU 53 -7.663 25.702 -8.077 405 HD11 LEU 53 HD11 LEU 53 -9.578 27.647 -8.482 406 HD12 LEU 53 HD12 LEU 53 -9.374 26.733 -6.993 407 HD13 LEU 53 HD13 LEU 53 -10.568 26.219 -8.179 408 HD21 LEU 53 HD21 LEU 53 -9.808 24.399 -9.765 409 HD22 LEU 53 HD22 LEU 53 -9.572 24.017 -8.060 410 HD23 LEU 53 HD23 LEU 53 -8.286 23.698 -9.223 411 H GLU 54 H GLU 54 -9.415 25.263 -12.200 412 HA GLU 54 HA GLU 54 -7.956 25.903 -14.453 413 HB2 GLU 54 HB2 GLU 54 -8.756 23.692 -13.868 414 HB3 GLU 54 HB3 GLU 54 -10.422 24.186 -14.151 415 HG2 GLU 54 HG2 GLU 54 -9.816 24.697 -16.532 416 HG3 GLU 54 HG3 GLU 54 -8.196 24.079 -16.219 417 H GLY 55 H GLY 55 -11.222 26.816 -13.559 418 HA2 GLY 55 HA2 GLY 55 -11.791 27.974 -16.180 419 HA3 GLY 55 HA3 GLY 55 -12.877 27.936 -14.792 420 H MET 56 H MET 56 -10.359 28.913 -13.226 421 HA MET 56 HA MET 56 -11.013 31.738 -13.459 422 HB2 MET 56 HB2 MET 56 -10.834 30.890 -11.223 423 HB3 MET 56 HB3 MET 56 -9.253 30.185 -11.553 424 HG2 MET 56 HG2 MET 56 -8.277 32.395 -11.850 425 HG3 MET 56 HG3 MET 56 -9.856 33.156 -11.672 426 HE1 MET 56 HE1 MET 56 -11.169 33.335 -9.953 427 HE2 MET 56 HE2 MET 56 -10.725 33.387 -8.250 428 HE3 MET 56 HE3 MET 56 -11.274 31.873 -8.962 429 H ASP 57 H ASP 57 -9.513 33.396 -13.864 430 HA ASP 57 HA ASP 57 -7.735 33.026 -15.976 431 HB2 ASP 57 HB2 ASP 57 -7.687 35.167 -13.835 432 HB3 ASP 57 HB3 ASP 57 -6.829 35.249 -15.370 433 H GLU 58 H GLU 58 -5.538 32.677 -16.144 434 HA GLU 58 HA GLU 58 -4.273 31.043 -14.284 435 HB2 GLU 58 HB2 GLU 58 -3.490 31.117 -16.556 436 HB3 GLU 58 HB3 GLU 58 -3.078 32.828 -16.409 437 HG2 GLU 58 HG2 GLU 58 -1.435 32.286 -14.653 438 HG3 GLU 58 HG3 GLU 58 -1.833 30.576 -14.811 439 H SER 59 H SER 59 -3.647 34.511 -14.866 440 HA SER 59 HA SER 59 -1.755 34.899 -12.854 441 HB2 SER 59 HB2 SER 59 -3.854 36.867 -13.799 442 HB3 SER 59 HB3 SER 59 -2.348 37.267 -12.983 443 HG SER 59 HG SER 59 -2.511 35.829 -15.423 444 H CYS 60 H CYS 60 -5.234 34.776 -12.740 445 HA CYS 60 HA CYS 60 -5.485 35.686 -10.020 446 HB2 CYS 60 HB2 CYS 60 -7.442 34.278 -11.844 447 HB3 CYS 60 HB3 CYS 60 -7.843 34.936 -10.259 448 H ARG 61 H ARG 61 -4.907 32.650 -11.575 449 HA ARG 61 HA ARG 61 -5.897 30.863 -9.661 450 HB2 ARG 61 HB2 ARG 61 -5.031 30.304 -11.962 451 HB3 ARG 61 HB3 ARG 61 -3.399 30.472 -11.317 452 HG2 ARG 61 HG2 ARG 61 -3.971 28.746 -9.582 453 HG3 ARG 61 HG3 ARG 61 -5.518 28.507 -10.399 454 HD2 ARG 61 HD2 ARG 61 -2.757 28.058 -11.563 455 HD3 ARG 61 HD3 ARG 61 -3.967 26.829 -11.209 456 HE ARG 61 HE ARG 61 -3.955 28.657 -13.482 457 HH11 ARG 61 HH21 ARG 61 -5.701 26.384 -11.529 458 HH12 ARG 61 HH22 ARG 61 -6.902 26.071 -12.737 459 HH21 ARG 61 HH11 ARG 61 -5.525 28.253 -15.053 460 HH22 ARG 61 HH12 ARG 61 -6.803 27.132 -14.730 461 H CYS 62 H CYS 62 -2.739 32.510 -9.848 462 HA CYS 62 HA CYS 62 -1.447 31.168 -7.754 463 HB2 CYS 62 HB2 CYS 62 -1.189 34.114 -8.408 464 HB3 CYS 62 HB3 CYS 62 0.008 33.099 -7.606 465 H GLU 63 H GLU 63 -3.149 34.293 -7.613 466 HA GLU 63 HA GLU 63 -3.185 34.549 -4.809 467 HB2 GLU 63 HB2 GLU 63 -3.621 36.396 -6.420 468 HB3 GLU 63 HB3 GLU 63 -5.176 35.660 -6.799 469 HG2 GLU 63 HG2 GLU 63 -5.796 35.834 -4.380 470 HG3 GLU 63 HG3 GLU 63 -4.281 36.685 -4.088 471 H GLY 64 H GLY 64 -5.447 33.056 -7.063 472 HA2 GLY 64 HA2 GLY 64 -7.682 32.704 -5.502 473 HA3 GLY 64 HA3 GLY 64 -7.174 31.576 -6.748 474 H LEU 65 H LEU 65 -5.190 30.161 -5.923 475 HA LEU 65 HA LEU 65 -6.186 28.441 -3.973 476 HB2 LEU 65 HB2 LEU 65 -3.316 28.826 -4.851 477 HB3 LEU 65 HB3 LEU 65 -3.926 27.437 -3.948 478 HG LEU 65 HG LEU 65 -4.831 28.313 -6.710 479 HD11 LEU 65 HD11 LEU 65 -2.633 27.205 -6.682 480 HD12 LEU 65 HD12 LEU 65 -3.847 26.153 -7.408 481 HD13 LEU 65 HD13 LEU 65 -3.309 25.869 -5.753 482 HD21 LEU 65 HD21 LEU 65 -5.847 26.250 -4.760 483 HD22 LEU 65 HD22 LEU 65 -6.004 25.972 -6.495 484 HD23 LEU 65 HD23 LEU 65 -6.765 27.380 -5.757 485 H ARG 66 H ARG 66 -3.666 30.948 -3.607 486 HA ARG 66 HA ARG 66 -3.110 30.493 -0.893 487 HB2 ARG 66 HB2 ARG 66 -3.013 33.066 -2.487 488 HB3 ARG 66 HB3 ARG 66 -2.308 32.854 -0.885 489 HG2 ARG 66 HG2 ARG 66 -0.898 31.011 -1.763 490 HG3 ARG 66 HG3 ARG 66 -1.576 31.273 -3.369 491 HD2 ARG 66 HD2 ARG 66 0.524 32.448 -3.279 492 HD3 ARG 66 HD3 ARG 66 -0.757 33.656 -3.233 493 HE ARG 66 HE ARG 66 -0.112 32.998 -0.583 494 HH11 ARG 66 HH21 ARG 66 1.324 34.445 -3.386 495 HH12 ARG 66 HH22 ARG 66 2.379 35.476 -2.478 496 HH21 ARG 66 HH11 ARG 66 1.269 34.348 0.605 497 HH22 ARG 66 HH12 ARG 66 2.347 35.422 -0.221 498 H MET 67 H MET 67 -5.348 32.832 -2.374 499 HA MET 67 HA MET 67 -6.429 33.862 0.009 500 HB2 MET 67 HB2 MET 67 -6.855 35.128 -1.912 501 HB3 MET 67 HB3 MET 67 -7.385 33.725 -2.838 502 HG2 MET 67 HG2 MET 67 -9.421 33.555 -1.523 503 HG3 MET 67 HG3 MET 67 -8.882 34.851 -0.453 504 HE1 MET 67 HE1 MET 67 -8.487 37.100 -0.981 505 HE2 MET 67 HE2 MET 67 -9.094 38.031 -2.347 506 HE3 MET 67 HE3 MET 67 -7.620 37.081 -2.524 507 H MET 68 H MET 68 -7.584 31.270 -2.117 508 HA MET 68 HA MET 68 -9.949 30.673 -0.751 509 HB2 MET 68 HB2 MET 68 -9.310 29.888 -3.034 510 HB3 MET 68 HB3 MET 68 -8.204 28.742 -2.282 511 HG2 MET 68 HG2 MET 68 -10.037 27.371 -2.433 512 HG3 MET 68 HG3 MET 68 -10.440 28.144 -0.899 513 HE1 MET 68 HE1 MET 68 -11.805 31.023 -1.424 514 HE2 MET 68 HE2 MET 68 -11.969 29.609 -0.386 515 HE3 MET 68 HE3 MET 68 -13.350 30.173 -1.319 516 H MET 69 H MET 69 -6.671 29.351 -0.324 517 HA MET 69 HA MET 69 -7.202 27.301 1.456 518 HB2 MET 69 HB2 MET 69 -4.958 27.864 0.510 519 HB3 MET 69 HB3 MET 69 -4.862 29.216 1.638 520 HG2 MET 69 HG2 MET 69 -5.151 27.606 3.528 521 HG3 MET 69 HG3 MET 69 -5.115 26.282 2.364 522 HE1 MET 69 HE1 MET 69 -3.502 29.061 4.143 523 HE2 MET 69 HE2 MET 69 -2.884 29.702 2.624 524 HE3 MET 69 HE3 MET 69 -1.769 29.007 3.797 525 H ARG 70 H ARG 70 -6.358 30.656 2.341 526 HA ARG 70 HA ARG 70 -6.859 30.401 5.094 527 HB2 ARG 70 HB2 ARG 70 -5.603 32.271 4.038 528 HB3 ARG 70 HB3 ARG 70 -7.123 32.894 3.398 529 HG2 ARG 70 HG2 ARG 70 -8.006 33.134 5.682 530 HG3 ARG 70 HG3 ARG 70 -6.511 32.471 6.341 531 HD2 ARG 70 HD2 ARG 70 -6.366 34.874 6.496 532 HD3 ARG 70 HD3 ARG 70 -5.272 34.357 5.215 533 HE ARG 70 HE ARG 70 -7.755 34.926 4.038 534 HH11 ARG 70 HH21 ARG 70 -5.198 36.523 5.748 535 HH12 ARG 70 HH22 ARG 70 -5.448 38.050 4.968 536 HH21 ARG 70 HH11 ARG 70 -8.082 36.925 3.017 537 HH22 ARG 70 HH12 ARG 70 -7.079 38.277 3.425 538 H MET 71 H MET 71 -8.977 31.374 2.424 539 HA MET 71 HA MET 71 -11.198 32.158 3.959 540 HB2 MET 71 HB2 MET 71 -10.831 32.622 1.511 541 HB3 MET 71 HB3 MET 71 -11.275 30.945 1.192 542 HG2 MET 71 HG2 MET 71 -13.447 31.351 2.378 543 HG3 MET 71 HG3 MET 71 -13.007 33.051 2.521 544 HE1 MET 71 HE1 MET 71 -11.506 33.567 -0.451 545 HE2 MET 71 HE2 MET 71 -12.378 34.511 0.753 546 HE3 MET 71 HE3 MET 71 -12.952 34.477 -0.912 547 H MET 72 H MET 72 -10.190 29.015 2.694 548 HA MET 72 HA MET 72 -12.532 27.592 3.177 549 HB2 MET 72 HB2 MET 72 -9.635 26.776 3.166 550 HB3 MET 72 HB3 MET 72 -10.915 25.609 3.488 551 HG2 MET 72 HG2 MET 72 -10.786 27.376 1.029 552 HG3 MET 72 HG3 MET 72 -10.271 25.691 1.076 553 HE1 MET 72 HE1 MET 72 -13.113 23.561 1.531 554 HE2 MET 72 HE2 MET 72 -12.921 24.382 3.076 555 HE3 MET 72 HE3 MET 72 -11.499 23.985 2.115 556 H GLN 73 H GLN 73 -9.721 28.041 5.312 557 HA GLN 73 HA GLN 73 -10.745 26.621 7.517 558 HB2 GLN 73 HB2 GLN 73 -8.832 28.966 7.528 559 HB3 GLN 73 HB3 GLN 73 -9.049 27.799 8.831 560 HG2 GLN 73 HG2 GLN 73 -7.943 27.299 6.059 561 HG3 GLN 73 HG3 GLN 73 -7.118 27.090 7.602 562 HE21 GLN 73 HE21 GLN 73 -8.920 25.458 5.215 563 HE22 GLN 73 HE22 GLN 73 -9.272 24.058 6.104 564 H GLN 74 H GLN 74 -10.964 30.029 6.604 565 HA GLN 74 HA GLN 74 -12.267 30.958 8.914 566 HB2 GLN 74 HB2 GLN 74 -11.376 32.629 7.562 567 HB3 GLN 74 HB3 GLN 74 -12.076 31.951 6.093 568 HG2 GLN 74 HG2 GLN 74 -14.083 32.643 8.118 569 HG3 GLN 74 HG3 GLN 74 -13.154 34.036 7.560 570 HE21 GLN 74 HE21 GLN 74 -13.585 31.306 5.398 571 HE22 GLN 74 HE22 GLN 74 -14.701 32.056 4.374 572 H LYS 75 H LYS 75 -13.579 29.687 5.873 573 HA LYS 75 HA LYS 75 -16.280 30.226 6.347 574 HB2 LYS 75 HB2 LYS 75 -15.311 29.427 4.187 575 HB3 LYS 75 HB3 LYS 75 -15.140 27.824 4.899 576 HG2 LYS 75 HG2 LYS 75 -17.205 27.749 3.728 577 HG3 LYS 75 HG3 LYS 75 -17.658 27.967 5.418 578 HD2 LYS 75 HD2 LYS 75 -17.943 30.370 5.071 579 HD3 LYS 75 HD3 LYS 75 -17.387 30.219 3.404 580 HE2 LYS 75 HE2 LYS 75 -19.302 28.732 2.906 581 HE3 LYS 75 HE3 LYS 75 -19.867 28.916 4.568 582 HZ1 LYS 75 HZ1 LYS 75 -21.017 30.438 3.112 583 HZ2 LYS 75 HZ2 LYS 75 -19.545 31.097 2.577 584 HZ3 LYS 75 HZ3 LYS 75 -20.037 31.308 4.189 585 H GLU 76 H GLU 76 -14.311 27.439 7.269 586 HA GLU 76 HA GLU 76 -15.940 26.879 9.556 587 HB2 GLU 76 HB2 GLU 76 -17.354 25.951 7.686 588 HB3 GLU 76 HB3 GLU 76 -16.048 24.821 7.341 589 HG2 GLU 76 HG2 GLU 76 -17.636 23.701 8.780 590 HG3 GLU 76 HG3 GLU 76 -16.188 24.029 9.725 591 H MET 77 H MET 77 -13.641 27.223 10.220 592 HA MET 77 HA MET 77 -11.534 25.522 9.538 593 HB2 MET 77 HB2 MET 77 -11.369 27.631 10.898 594 HB3 MET 77 HB3 MET 77 -12.002 26.728 12.273 595 HG2 MET 77 HG2 MET 77 -10.110 25.093 11.981 596 HG3 MET 77 HG3 MET 77 -9.441 26.166 10.752 597 HE1 MET 77 HE1 MET 77 -8.442 29.321 12.478 598 HE2 MET 77 HE2 MET 77 -10.136 29.159 12.026 599 HE3 MET 77 HE3 MET 77 -8.886 28.464 10.997 600 H GLN 78 H GLN 78 -12.191 23.364 9.380 601 HA GLN 78 HA GLN 78 -13.614 21.893 11.290 602 HB2 GLN 78 HB2 GLN 78 -11.454 20.998 9.364 603 HB3 GLN 78 HB3 GLN 78 -12.484 19.898 10.280 604 HG2 GLN 78 HG2 GLN 78 -14.422 21.382 9.229 605 HG3 GLN 78 HG3 GLN 78 -13.196 21.713 8.008 606 HE21 GLN 78 HE21 GLN 78 -15.627 19.515 8.869 607 HE22 GLN 78 HE22 GLN 78 -15.132 18.211 7.902 608 HA PRO 79 HA PRO 79 -10.378 21.611 14.359 609 HB2 PRO 79 HB2 PRO 79 -11.774 20.452 16.315 610 HB3 PRO 79 HB3 PRO 79 -12.217 22.073 15.738 611 HG2 PRO 79 HG2 PRO 79 -13.511 19.459 15.208 612 HG3 PRO 79 HG3 PRO 79 -14.234 21.064 15.386 613 HD2 PRO 79 HD2 PRO 79 -13.612 19.745 12.939 614 HD3 PRO 79 HD3 PRO 79 -14.129 21.434 13.134 615 H ARG 80 H ARG 80 -8.810 20.235 13.862 616 HA ARG 80 HA ARG 80 -8.734 17.588 14.843 617 HB2 ARG 80 HB2 ARG 80 -9.135 17.918 11.872 618 HB3 ARG 80 HB3 ARG 80 -8.228 16.553 12.518 619 HG2 ARG 80 HG2 ARG 80 -10.326 16.235 14.065 620 HG3 ARG 80 HG3 ARG 80 -11.142 17.213 12.843 621 HD2 ARG 80 HD2 ARG 80 -10.302 15.628 11.095 622 HD3 ARG 80 HD3 ARG 80 -9.676 14.609 12.387 623 HE ARG 80 HE ARG 80 -12.509 15.271 12.568 624 HH11 ARG 80 HH21 ARG 80 -10.056 13.056 11.512 625 HH12 ARG 80 HH22 ARG 80 -11.126 11.698 11.440 626 HH21 ARG 80 HH11 ARG 80 -13.907 13.490 12.472 627 HH22 ARG 80 HH12 ARG 80 -13.302 11.942 11.983 628 H GLY 81 H GLY 81 -6.599 17.177 15.276 629 HA2 GLY 81 HA2 GLY 81 -4.641 19.076 14.231 630 HA3 GLY 81 HA3 GLY 81 -4.387 17.930 15.540 631 H GLU 82 H GLU 82 -4.308 15.593 14.876 632 HA GLU 82 HA GLU 82 -2.268 15.193 12.987 633 HB2 GLU 82 HB2 GLU 82 -4.171 13.230 14.272 634 HB3 GLU 82 HB3 GLU 82 -2.774 12.763 13.305 635 HG2 GLU 82 HG2 GLU 82 -1.950 12.723 15.515 636 HG3 GLU 82 HG3 GLU 82 -1.406 14.277 14.892 637 H GLN 83 H GLN 83 -5.770 14.592 12.711 638 HA GLN 83 HA GLN 83 -5.727 13.285 10.236 639 HB2 GLN 83 HB2 GLN 83 -7.689 13.469 11.787 640 HB3 GLN 83 HB3 GLN 83 -7.907 15.125 11.224 641 HG2 GLN 83 HG2 GLN 83 -9.364 13.756 9.901 642 HG3 GLN 83 HG3 GLN 83 -8.010 14.201 8.865 643 HE21 GLN 83 HE21 GLN 83 -7.050 12.474 7.789 644 HE22 GLN 83 HE22 GLN 83 -7.131 10.853 8.287 645 H MET 84 H MET 84 -6.663 16.695 10.750 646 HA MET 84 HA MET 84 -6.597 17.390 8.035 647 HB2 MET 84 HB2 MET 84 -6.456 19.022 10.554 648 HB3 MET 84 HB3 MET 84 -6.392 19.773 8.957 649 HG2 MET 84 HG2 MET 84 -8.522 18.655 8.353 650 HG3 MET 84 HG3 MET 84 -8.599 17.942 9.963 651 HE1 MET 84 HE1 MET 84 -8.559 20.802 7.723 652 HE2 MET 84 HE2 MET 84 -7.636 21.831 8.814 653 HE3 MET 84 HE3 MET 84 -9.345 22.161 8.540 654 H ARG 85 H ARG 85 -3.998 17.179 10.377 655 HA ARG 85 HA ARG 85 -2.087 18.831 9.216 656 HB2 ARG 85 HB2 ARG 85 -1.743 17.568 11.325 657 HB3 ARG 85 HB3 ARG 85 -1.615 16.078 10.394 658 HG2 ARG 85 HG2 ARG 85 0.355 16.918 9.234 659 HG3 ARG 85 HG3 ARG 85 0.192 18.486 10.028 660 HD2 ARG 85 HD2 ARG 85 1.884 17.185 11.197 661 HD3 ARG 85 HD3 ARG 85 0.470 17.354 12.232 662 HE ARG 85 HE ARG 85 0.756 14.922 10.589 663 HH11 ARG 85 HH21 ARG 85 0.707 16.505 13.681 664 HH12 ARG 85 HH22 ARG 85 0.539 15.034 14.576 665 HH21 ARG 85 HH11 ARG 85 0.536 13.004 11.771 666 HH22 ARG 85 HH12 ARG 85 0.442 13.057 13.499 667 H ARG 86 H ARG 86 -2.930 15.475 8.407 668 HA ARG 86 HA ARG 86 -1.088 15.129 6.287 669 HB2 ARG 86 HB2 ARG 86 -3.792 13.847 6.767 670 HB3 ARG 86 HB3 ARG 86 -2.616 13.297 5.573 671 HG2 ARG 86 HG2 ARG 86 -0.957 12.959 7.395 672 HG3 ARG 86 HG3 ARG 86 -2.180 13.439 8.573 673 HD2 ARG 86 HD2 ARG 86 -2.164 11.028 8.487 674 HD3 ARG 86 HD3 ARG 86 -3.638 11.579 7.698 675 HE ARG 86 HE ARG 86 -1.392 11.158 5.904 676 HH11 ARG 86 HH21 ARG 86 -4.169 9.799 7.477 677 HH12 ARG 86 HH22 ARG 86 -4.380 8.539 6.309 678 HH21 ARG 86 HH11 ARG 86 -1.670 9.507 4.377 679 HH22 ARG 86 HH12 ARG 86 -2.967 8.373 4.557 680 H MET 87 H MET 87 -4.343 16.448 6.458 681 HA MET 87 HA MET 87 -5.059 16.594 3.789 682 HB2 MET 87 HB2 MET 87 -6.508 17.214 5.721 683 HB3 MET 87 HB3 MET 87 -5.596 18.712 5.882 684 HG2 MET 87 HG2 MET 87 -6.173 19.161 3.431 685 HG3 MET 87 HG3 MET 87 -7.334 17.842 3.572 686 HE1 MET 87 HE1 MET 87 -9.462 17.857 4.954 687 HE2 MET 87 HE2 MET 87 -9.773 18.965 6.285 688 HE3 MET 87 HE3 MET 87 -8.388 17.880 6.358 689 H MET 88 H MET 88 -2.862 18.694 5.600 690 HA MET 88 HA MET 88 -2.667 20.867 3.910 691 HB2 MET 88 HB2 MET 88 -0.486 19.462 5.468 692 HB3 MET 88 HB3 MET 88 -0.347 21.080 4.779 693 HG2 MET 88 HG2 MET 88 -2.070 21.941 6.190 694 HG3 MET 88 HG3 MET 88 -2.585 20.325 6.670 695 HE1 MET 88 HE1 MET 88 1.476 22.195 7.644 696 HE2 MET 88 HE2 MET 88 0.414 22.538 6.280 697 HE3 MET 88 HE3 MET 88 1.304 21.018 6.334 698 H ARG 89 H ARG 89 -0.488 18.028 3.833 699 HA ARG 89 HA ARG 89 0.770 18.688 1.404 700 HB2 ARG 89 HB2 ARG 89 0.332 15.969 2.665 701 HB3 ARG 89 HB3 ARG 89 1.472 16.314 1.364 702 HG2 ARG 89 HG2 ARG 89 1.531 17.717 4.051 703 HG3 ARG 89 HG3 ARG 89 2.501 16.293 3.674 704 HD2 ARG 89 HD2 ARG 89 3.495 17.531 1.746 705 HD3 ARG 89 HD3 ARG 89 2.596 18.963 2.237 706 HE ARG 89 HE ARG 89 4.968 17.887 3.509 707 HH11 ARG 89 HH21 ARG 89 2.120 19.837 3.844 708 HH12 ARG 89 HH22 ARG 89 2.756 20.778 5.152 709 HH21 ARG 89 HH11 ARG 89 5.798 19.119 5.221 710 HH22 ARG 89 HH12 ARG 89 4.835 20.372 5.930 711 H LEU 90 H LEU 90 -2.048 16.657 2.094 712 HA LEU 90 HA LEU 90 -2.496 15.700 -0.511 713 HB2 LEU 90 HB2 LEU 90 -3.544 14.870 1.641 714 HB3 LEU 90 HB3 LEU 90 -4.621 16.263 1.569 715 HG LEU 90 HG LEU 90 -5.509 14.065 0.586 716 HD11 LEU 90 HD11 LEU 90 -5.670 15.934 -1.665 717 HD12 LEU 90 HD12 LEU 90 -5.958 16.705 -0.106 718 HD13 LEU 90 HD13 LEU 90 -6.944 15.334 -0.606 719 HD21 LEU 90 HD21 LEU 90 -4.718 13.303 -1.497 720 HD22 LEU 90 HD22 LEU 90 -3.238 13.686 -0.620 721 HD23 LEU 90 HD23 LEU 90 -3.861 14.808 -1.829 722 H ALA 91 H ALA 91 -3.638 18.619 1.133 723 HA ALA 91 HA ALA 91 -5.493 19.517 -0.737 724 HB1 ALA 91 HB1 ALA 91 -5.180 20.543 1.478 725 HB2 ALA 91 HB2 ALA 91 -5.112 21.752 0.196 726 HB3 ALA 91 HB3 ALA 91 -3.624 21.189 0.957 727 H GLU 92 H GLU 92 -1.993 20.142 -0.598 728 HA GLU 92 HA GLU 92 -1.811 21.882 -2.788 729 HB2 GLU 92 HB2 GLU 92 0.015 21.493 -1.172 730 HB3 GLU 92 HB3 GLU 92 0.247 19.876 -1.833 731 HG2 GLU 92 HG2 GLU 92 0.279 22.210 -3.717 732 HG3 GLU 92 HG3 GLU 92 1.695 21.928 -2.711 733 H ASN 93 H ASN 93 -2.065 18.384 -2.690 734 HA ASN 93 HA ASN 93 -1.180 17.900 -5.351 735 HB2 ASN 93 HB2 ASN 93 -3.016 16.247 -3.602 736 HB3 ASN 93 HB3 ASN 93 -2.207 15.687 -5.067 737 HD21 ASN 93 HD21 ASN 93 0.363 16.836 -4.715 738 HD22 ASN 93 HD22 ASN 93 1.088 16.150 -3.341 739 H ILE 94 H ILE 94 -4.324 18.685 -3.959 740 HA ILE 94 HA ILE 94 -5.993 17.971 -6.063 741 HB ILE 94 HB ILE 94 -6.209 20.268 -4.112 742 HG12 ILE 94 HG12 ILE 94 -7.696 17.634 -4.213 743 HG13 ILE 94 HG13 ILE 94 -6.194 17.842 -3.311 744 HG21 ILE 94 HG21 ILE 94 -7.631 20.896 -5.912 745 HG22 ILE 94 HG22 ILE 94 -8.693 20.085 -4.762 746 HG23 ILE 94 HG23 ILE 94 -8.133 19.230 -6.200 747 HD11 ILE 94 HD11 ILE 94 -8.042 18.198 -1.787 748 HD12 ILE 94 HD12 ILE 94 -8.791 19.350 -2.891 749 HD13 ILE 94 HD13 ILE 94 -7.273 19.756 -2.087 750 HA PRO 95 HA PRO 95 -5.424 22.339 -8.059 751 HB2 PRO 95 HB2 PRO 95 -3.147 23.715 -7.317 752 HB3 PRO 95 HB3 PRO 95 -4.749 23.970 -6.601 753 HG2 PRO 95 HG2 PRO 95 -2.438 22.414 -5.577 754 HG3 PRO 95 HG3 PRO 95 -3.603 23.423 -4.702 755 HD2 PRO 95 HD2 PRO 95 -3.750 20.707 -4.716 756 HD3 PRO 95 HD3 PRO 95 -5.186 21.743 -4.590 757 H SER 96 H SER 96 -2.745 20.237 -7.341 758 HA SER 96 HA SER 96 -0.994 20.885 -9.465 759 HB2 SER 96 HB2 SER 96 -1.418 18.154 -8.228 760 HB3 SER 96 HB3 SER 96 0.016 18.723 -9.075 761 HG SER 96 HG SER 96 -1.051 19.698 -6.629 762 H ARG 97 H ARG 97 -3.755 18.886 -9.085 763 HA ARG 97 HA ARG 97 -3.797 17.391 -11.406 764 HB2 ARG 97 HB2 ARG 97 -6.038 18.611 -9.793 765 HB3 ARG 97 HB3 ARG 97 -6.239 17.366 -10.988 766 HG2 ARG 97 HG2 ARG 97 -4.399 17.058 -8.625 767 HG3 ARG 97 HG3 ARG 97 -6.075 16.514 -8.614 768 HD2 ARG 97 HD2 ARG 97 -5.563 15.123 -10.648 769 HD3 ARG 97 HD3 ARG 97 -3.869 15.568 -10.465 770 HE ARG 97 HE ARG 97 -3.721 14.091 -8.676 771 HH11 ARG 97 HH21 ARG 97 -7.034 14.731 -9.477 772 HH12 ARG 97 HH22 ARG 97 -7.664 13.503 -8.431 773 HH21 ARG 97 HH11 ARG 97 -4.547 12.483 -7.308 774 HH22 ARG 97 HH12 ARG 97 -6.259 12.233 -7.205 775 H CYS 98 H CYS 98 -4.946 20.720 -10.858 776 HA CYS 98 HA CYS 98 -5.642 20.924 -13.710 777 HB2 CYS 98 HB2 CYS 98 -6.212 23.185 -11.892 778 HB3 CYS 98 HB3 CYS 98 -7.198 22.485 -13.171 779 H ASN 99 H ASN 99 -3.159 21.633 -11.541 780 HA ASN 99 HA ASN 99 -2.436 24.188 -12.303 781 HB2 ASN 99 HB2 ASN 99 -0.766 21.912 -11.335 782 HB3 ASN 99 HB3 ASN 99 -0.038 23.410 -11.943 783 HD21 ASN 99 HD21 ASN 99 -2.009 25.267 -11.070 784 HD22 ASN 99 HD22 ASN 99 -1.998 25.313 -9.375 785 H LEU 100 H LEU 100 -0.988 24.999 -13.613 786 HA LEU 100 HA LEU 100 -0.207 23.531 -16.023 787 HB2 LEU 100 HB2 LEU 100 -1.411 25.826 -17.009 788 HB3 LEU 100 HB3 LEU 100 -2.139 24.217 -16.997 789 HG LEU 100 HG LEU 100 -2.843 24.833 -14.521 790 HD11 LEU 100 HD11 LEU 100 -1.653 27.296 -15.484 791 HD12 LEU 100 HD12 LEU 100 -2.158 26.849 -13.856 792 HD13 LEU 100 HD13 LEU 100 -3.327 27.534 -14.984 793 HD21 LEU 100 HD21 LEU 100 -4.288 24.581 -16.619 794 HD22 LEU 100 HD22 LEU 100 -4.272 26.344 -16.678 795 HD23 LEU 100 HD23 LEU 100 -4.937 25.513 -15.271 796 H SER 101 H SER 101 1.622 24.362 -16.921 797 HA SER 101 HA SER 101 3.470 25.878 -15.674 798 HB2 SER 101 HB2 SER 101 4.314 26.514 -17.978 799 HB3 SER 101 HB3 SER 101 4.063 24.791 -17.709 800 HG SER 101 HG SER 101 1.942 25.132 -18.664 801 HA PRO 102 HA PRO 102 1.179 29.808 -15.760 802 HB2 PRO 102 HB2 PRO 102 2.425 30.437 -13.230 803 HB3 PRO 102 HB3 PRO 102 0.736 29.997 -13.538 804 HG2 PRO 102 HG2 PRO 102 2.497 28.434 -12.143 805 HG3 PRO 102 HG3 PRO 102 1.074 27.814 -13.002 806 HD2 PRO 102 HD2 PRO 102 3.943 27.835 -13.902 807 HD3 PRO 102 HD3 PRO 102 2.718 26.549 -14.051 808 H MET 103 H MET 103 1.914 31.703 -16.614 809 HA MET 103 HA MET 103 4.671 32.007 -17.265 810 HB2 MET 103 HB2 MET 103 2.768 32.903 -18.625 811 HB3 MET 103 HB3 MET 103 2.498 34.112 -17.370 812 HG2 MET 103 HG2 MET 103 4.885 34.854 -17.667 813 HG3 MET 103 HG3 MET 103 5.003 33.754 -19.041 814 HE1 MET 103 HE1 MET 103 2.758 35.043 -21.700 815 HE2 MET 103 HE2 MET 103 1.981 34.087 -20.442 816 HE3 MET 103 HE3 MET 103 3.622 33.694 -20.950 817 H ARG 104 H ARG 104 2.546 34.009 -15.187 818 HA ARG 104 HA ARG 104 4.743 34.386 -13.308 819 HB2 ARG 104 HB2 ARG 104 4.053 36.362 -15.296 820 HB3 ARG 104 HB3 ARG 104 3.749 36.994 -13.680 821 HG2 ARG 104 HG2 ARG 104 6.339 35.673 -14.547 822 HG3 ARG 104 HG3 ARG 104 6.087 37.415 -14.467 823 HD2 ARG 104 HD2 ARG 104 6.239 35.422 -12.221 824 HD3 ARG 104 HD3 ARG 104 7.071 36.962 -12.394 825 HE ARG 104 HE ARG 104 4.500 36.550 -11.206 826 HH11 ARG 104 HH21 ARG 104 6.392 38.746 -13.110 827 HH12 ARG 104 HH22 ARG 104 5.524 40.152 -12.591 828 HH21 ARG 104 HH11 ARG 104 3.370 38.391 -10.528 829 HH22 ARG 104 HH12 ARG 104 3.817 39.951 -11.132 830 H CYS 105 H CYS 105 4.071 34.787 -11.249 831 HA CYS 105 HA CYS 105 1.166 34.779 -10.781 832 HB2 CYS 105 HB2 CYS 105 3.557 34.051 -9.112 833 HB3 CYS 105 HB3 CYS 105 2.017 34.433 -8.339 834 HA PRO 106 HA PRO 106 1.693 39.209 -10.131 835 HB2 PRO 106 HB2 PRO 106 -1.137 39.149 -9.354 836 HB3 PRO 106 HB3 PRO 106 -0.351 40.030 -10.674 837 HG2 PRO 106 HG2 PRO 106 -1.962 37.893 -11.063 838 HG3 PRO 106 HG3 PRO 106 -0.642 38.335 -12.158 839 HD2 PRO 106 HD2 PRO 106 -0.766 36.126 -10.153 840 HD3 PRO 106 HD3 PRO 106 0.102 36.204 -11.701 841 H MET 107 H MET 107 1.445 36.864 -7.918 842 HA MET 107 HA MET 107 0.547 38.326 -5.615 843 HB2 MET 107 HB2 MET 107 1.965 35.757 -6.098 844 HB3 MET 107 HB3 MET 107 1.757 36.360 -4.460 845 HG2 MET 107 HG2 MET 107 -0.156 34.962 -6.082 846 HG3 MET 107 HG3 MET 107 -0.330 35.535 -4.426 847 HE1 MET 107 HE1 MET 107 -1.587 37.427 -8.339 848 HE2 MET 107 HE2 MET 107 -2.174 35.851 -7.820 849 HE3 MET 107 HE3 MET 107 -0.445 36.114 -8.023 850 H GLY 108 H GLY 108 1.713 40.157 -5.492 851 HA2 GLY 108 HA2 GLY 108 3.379 41.449 -4.606 852 HA3 GLY 108 HA3 GLY 108 4.222 39.989 -4.129 853 H GLY 109 H GLY 109 3.242 40.507 -7.433 854 HA2 GLY 109 HA2 GLY 109 4.451 40.717 -9.382 855 HA3 GLY 109 HA3 GLY 109 5.479 41.823 -8.476 856 H SER 110 H SER 110 4.857 38.303 -8.508 857 HA SER 110 HA SER 110 7.353 37.477 -7.600 858 HB2 SER 110 HB2 SER 110 5.190 36.111 -8.043 859 HB3 SER 110 HB3 SER 110 5.845 35.897 -9.664 860 HG SER 110 HG SER 110 7.655 34.944 -8.776 861 H ILE 111 H ILE 111 9.012 36.252 -8.881 862 HA ILE 111 HA ILE 111 9.772 37.861 -11.239 863 HB ILE 111 HB ILE 111 11.428 35.976 -9.535 864 HG12 ILE 111 HG12 ILE 111 11.464 39.009 -9.701 865 HG13 ILE 111 HG13 ILE 111 10.653 38.102 -8.420 866 HG21 ILE 111 HG21 ILE 111 12.158 37.853 -11.807 867 HG22 ILE 111 HG22 ILE 111 12.295 36.095 -11.811 868 HG23 ILE 111 HG23 ILE 111 13.332 37.057 -10.759 869 HD11 ILE 111 HD11 ILE 111 13.614 38.135 -9.057 870 HD12 ILE 111 HD12 ILE 111 12.876 36.974 -7.951 871 HD13 ILE 111 HD13 ILE 111 12.827 38.698 -7.583 872 H ALA 112 H ALA 112 10.571 34.530 -10.365 873 HA ALA 112 HA ALA 112 9.935 33.582 -13.062 874 HB1 ALA 112 HB1 ALA 112 12.024 32.680 -12.080 875 HB2 ALA 112 HB2 ALA 112 10.804 31.411 -12.191 876 HB3 ALA 112 HB3 ALA 112 11.128 32.189 -10.642 877 H GLY 113 H GLY 113 8.004 32.528 -13.369 878 HA2 GLY 113 HA2 GLY 113 5.757 32.602 -12.427 879 HA3 GLY 113 HA3 GLY 113 6.405 30.980 -12.146 880 H PHE 114 H PHE 114 6.349 30.360 -10.088 881 HA PHE 114 HA PHE 114 5.705 32.259 -8.025 882 HB2 PHE 114 HB2 PHE 114 6.433 29.320 -7.840 883 HB3 PHE 114 HB3 PHE 114 5.962 30.307 -6.454 884 HD1 PHE 114 HD1 PHE 114 3.667 31.225 -6.279 885 HD2 PHE 114 HD2 PHE 114 4.809 28.600 -9.483 886 HE1 PHE 114 HE1 PHE 114 1.277 30.831 -6.809 887 HE2 PHE 114 HE2 PHE 114 2.418 28.207 -10.012 888 HZ PHE 114 HZ PHE 114 0.652 29.323 -8.676 Start of MODEL 6 1 H1 GLU 1 H1 GLU 1 1.170 44.305 -4.927 2 H2 GLU 1 H2 GLU 1 -0.495 44.600 -5.091 3 H3 GLU 1 H3 GLU 1 0.631 45.698 -5.730 4 HA GLU 1 HA GLU 1 1.445 43.780 -7.163 5 HB2 GLU 1 HB2 GLU 1 -1.304 42.770 -6.359 6 HB3 GLU 1 HB3 GLU 1 -0.255 42.050 -7.577 7 HG2 GLU 1 HG2 GLU 1 0.231 40.737 -5.709 8 HG3 GLU 1 HG3 GLU 1 1.504 41.951 -5.639 9 H ALA 2 H ALA 2 -0.215 43.251 -9.195 10 HA ALA 2 HA ALA 2 -0.726 45.778 -10.362 11 HB1 ALA 2 HB1 ALA 2 -0.223 43.773 -11.699 12 HB2 ALA 2 HB2 ALA 2 -1.755 44.494 -12.193 13 HB3 ALA 2 HB3 ALA 2 -1.747 43.047 -11.186 14 H GLU 3 H GLU 3 -2.647 46.862 -10.772 15 HA GLU 3 HA GLU 3 -4.642 46.742 -8.783 16 HB2 GLU 3 HB2 GLU 3 -5.785 48.433 -10.028 17 HB3 GLU 3 HB3 GLU 3 -4.061 48.755 -10.185 18 HG2 GLU 3 HG2 GLU 3 -5.781 47.314 -12.232 19 HG3 GLU 3 HG3 GLU 3 -5.214 48.976 -12.360 20 H ALA 4 H ALA 4 -4.310 45.123 -11.845 21 HA ALA 4 HA ALA 4 -7.035 44.423 -12.211 22 HB1 ALA 4 HB1 ALA 4 -5.407 44.321 -14.050 23 HB2 ALA 4 HB2 ALA 4 -6.181 42.755 -13.809 24 HB3 ALA 4 HB3 ALA 4 -4.543 43.030 -13.213 25 H GLN 5 H GLN 5 -4.786 43.458 -9.951 26 HA GLN 5 HA GLN 5 -5.250 40.754 -9.520 27 HB2 GLN 5 HB2 GLN 5 -3.579 42.067 -8.306 28 HB3 GLN 5 HB3 GLN 5 -4.868 42.967 -7.505 29 HG2 GLN 5 HG2 GLN 5 -5.675 40.901 -6.442 30 HG3 GLN 5 HG3 GLN 5 -4.450 39.965 -7.298 31 HE21 GLN 5 HE21 GLN 5 -4.984 42.193 -4.614 32 HE22 GLN 5 HE22 GLN 5 -3.422 42.060 -3.961 33 H GLU 6 H GLU 6 -7.181 43.563 -8.616 34 HA GLU 6 HA GLU 6 -8.992 42.433 -6.845 35 HB2 GLU 6 HB2 GLU 6 -10.467 44.246 -7.397 36 HB3 GLU 6 HB3 GLU 6 -8.817 44.862 -7.483 37 HG2 GLU 6 HG2 GLU 6 -8.864 44.404 -9.967 38 HG3 GLU 6 HG3 GLU 6 -10.578 44.029 -9.805 39 H GLU 7 H GLU 7 -8.850 42.170 -10.350 40 HA GLU 7 HA GLU 7 -11.399 41.217 -10.928 41 HB2 GLU 7 HB2 GLU 7 -9.564 41.746 -12.591 42 HB3 GLU 7 HB3 GLU 7 -8.831 40.199 -12.175 43 HG2 GLU 7 HG2 GLU 7 -11.719 40.385 -13.051 44 HG3 GLU 7 HG3 GLU 7 -10.413 40.263 -14.224 45 H CYS 8 H CYS 8 -8.549 39.594 -9.664 46 HA CYS 8 HA CYS 8 -9.576 36.971 -9.778 47 HB2 CYS 8 HB2 CYS 8 -7.490 38.048 -7.875 48 HB3 CYS 8 HB3 CYS 8 -7.714 36.367 -8.360 49 H ARG 9 H ARG 9 -9.278 39.243 -7.037 50 HA ARG 9 HA ARG 9 -10.543 37.661 -5.110 51 HB2 ARG 9 HB2 ARG 9 -9.296 39.766 -4.641 52 HB3 ARG 9 HB3 ARG 9 -10.641 40.680 -5.325 53 HG2 ARG 9 HG2 ARG 9 -12.162 39.706 -3.638 54 HG3 ARG 9 HG3 ARG 9 -10.815 38.801 -2.948 55 HD2 ARG 9 HD2 ARG 9 -9.640 40.975 -2.530 56 HD3 ARG 9 HD3 ARG 9 -11.082 41.817 -3.089 57 HE ARG 9 HE ARG 9 -12.084 41.340 -1.051 58 HH11 ARG 9 HH21 ARG 9 -9.315 39.313 -1.555 59 HH12 ARG 9 HH22 ARG 9 -9.351 38.640 0.040 60 HH21 ARG 9 HH11 ARG 9 -12.129 40.455 1.036 61 HH22 ARG 9 HH12 ARG 9 -10.942 39.285 1.504 62 H GLU 10 H GLU 10 -11.932 40.090 -7.312 63 HA GLU 10 HA GLU 10 -14.603 39.869 -6.431 64 HB2 GLU 10 HB2 GLU 10 -13.764 41.712 -7.856 65 HB3 GLU 10 HB3 GLU 10 -13.580 40.578 -9.193 66 HG2 GLU 10 HG2 GLU 10 -16.229 40.311 -8.097 67 HG3 GLU 10 HG3 GLU 10 -15.917 42.011 -8.438 68 H GLN 11 H GLN 11 -12.930 38.345 -9.171 69 HA GLN 11 HA GLN 11 -15.052 36.778 -10.111 70 HB2 GLN 11 HB2 GLN 11 -12.808 37.231 -11.231 71 HB3 GLN 11 HB3 GLN 11 -12.145 35.962 -10.203 72 HG2 GLN 11 HG2 GLN 11 -13.936 34.428 -11.090 73 HG3 GLN 11 HG3 GLN 11 -14.375 35.690 -12.233 74 HE21 GLN 11 HE21 GLN 11 -13.603 33.486 -13.532 75 HE22 GLN 11 HE22 GLN 11 -12.001 33.579 -14.084 76 H MET 12 H MET 12 -12.712 36.211 -7.540 77 HA MET 12 HA MET 12 -12.989 33.503 -7.101 78 HB2 MET 12 HB2 MET 12 -11.449 35.059 -5.870 79 HB3 MET 12 HB3 MET 12 -12.832 35.574 -4.903 80 HG2 MET 12 HG2 MET 12 -11.661 33.824 -3.692 81 HG3 MET 12 HG3 MET 12 -13.200 33.175 -4.256 82 HE1 MET 12 HE1 MET 12 -9.370 32.950 -4.324 83 HE2 MET 12 HE2 MET 12 -9.361 31.212 -4.618 84 HE3 MET 12 HE3 MET 12 -10.352 31.873 -3.319 85 H GLN 13 H GLN 13 -15.176 36.110 -6.060 86 HA GLN 13 HA GLN 13 -16.838 34.616 -4.379 87 HB2 GLN 13 HB2 GLN 13 -16.981 37.087 -4.678 88 HB3 GLN 13 HB3 GLN 13 -17.707 36.826 -6.262 89 HG2 GLN 13 HG2 GLN 13 -19.523 37.161 -4.737 90 HG3 GLN 13 HG3 GLN 13 -19.483 35.434 -5.081 91 HE21 GLN 13 HE21 GLN 13 -17.978 37.723 -2.714 92 HE22 GLN 13 HE22 GLN 13 -18.157 36.681 -1.385 93 H ARG 14 H ARG 14 -17.033 35.114 -7.893 94 HA ARG 14 HA ARG 14 -19.320 33.584 -8.391 95 HB2 ARG 14 HB2 ARG 14 -18.220 35.156 -10.001 96 HB3 ARG 14 HB3 ARG 14 -16.906 33.995 -10.175 97 HG2 ARG 14 HG2 ARG 14 -18.466 32.306 -11.012 98 HG3 ARG 14 HG3 ARG 14 -19.819 33.416 -10.774 99 HD2 ARG 14 HD2 ARG 14 -19.226 33.581 -13.083 100 HD3 ARG 14 HD3 ARG 14 -18.613 35.036 -12.305 101 HE ARG 14 HE ARG 14 -16.449 34.310 -12.748 102 HH11 ARG 14 HH21 ARG 14 -18.726 31.730 -13.186 103 HH12 ARG 14 HH22 ARG 14 -17.567 30.649 -13.884 104 HH21 ARG 14 HH11 ARG 14 -14.938 32.894 -13.664 105 HH22 ARG 14 HH12 ARG 14 -15.427 31.307 -14.154 106 H GLN 15 H GLN 15 -15.878 32.846 -8.227 107 HA GLN 15 HA GLN 15 -16.230 30.068 -8.811 108 HB2 GLN 15 HB2 GLN 15 -13.965 31.870 -8.104 109 HB3 GLN 15 HB3 GLN 15 -13.766 30.156 -7.746 110 HG2 GLN 15 HG2 GLN 15 -13.002 30.193 -9.929 111 HG3 GLN 15 HG3 GLN 15 -14.713 29.881 -10.215 112 HE21 GLN 15 HE21 GLN 15 -16.075 31.982 -10.518 113 HE22 GLN 15 HE22 GLN 15 -15.339 33.234 -11.395 114 H GLN 16 H GLN 16 -17.928 29.798 -7.217 115 HA GLN 16 HA GLN 16 -17.187 29.810 -4.408 116 HB2 GLN 16 HB2 GLN 16 -19.710 28.858 -5.791 117 HB3 GLN 16 HB3 GLN 16 -19.497 29.022 -4.044 118 HG2 GLN 16 HG2 GLN 16 -18.996 31.431 -4.351 119 HG3 GLN 16 HG3 GLN 16 -19.270 31.252 -6.081 120 HE21 GLN 16 HE21 GLN 16 -20.836 33.089 -4.721 121 HE22 GLN 16 HE22 GLN 16 -22.424 32.513 -4.587 122 H MET 17 H MET 17 -15.534 28.197 -5.961 123 HA MET 17 HA MET 17 -16.272 25.466 -5.968 124 HB2 MET 17 HB2 MET 17 -14.260 25.140 -6.929 125 HB3 MET 17 HB3 MET 17 -14.179 26.896 -6.970 126 HG2 MET 17 HG2 MET 17 -13.251 26.541 -4.485 127 HG3 MET 17 HG3 MET 17 -12.783 24.980 -5.158 128 HE1 MET 17 HE1 MET 17 -11.694 29.030 -5.377 129 HE2 MET 17 HE2 MET 17 -13.291 28.474 -5.868 130 HE3 MET 17 HE3 MET 17 -12.121 28.962 -7.091 131 H LEU 18 H LEU 18 -15.307 27.546 -3.429 132 HA LEU 18 HA LEU 18 -14.018 25.751 -1.720 133 HB2 LEU 18 HB2 LEU 18 -15.077 27.311 0.112 134 HB3 LEU 18 HB3 LEU 18 -13.835 27.926 -0.973 135 HG LEU 18 HG LEU 18 -15.468 28.995 -2.376 136 HD11 LEU 18 HD11 LEU 18 -17.247 27.473 -2.520 137 HD12 LEU 18 HD12 LEU 18 -17.942 28.797 -1.594 138 HD13 LEU 18 HD13 LEU 18 -17.400 27.336 -0.771 139 HD21 LEU 18 HD21 LEU 18 -16.523 29.496 0.407 140 HD22 LEU 18 HD22 LEU 18 -16.261 30.655 -0.898 141 HD23 LEU 18 HD23 LEU 18 -14.883 29.971 -0.036 142 H SER 19 H SER 19 -17.290 25.824 -2.735 143 HA SER 19 HA SER 19 -18.508 24.643 -0.433 144 HB2 SER 19 HB2 SER 19 -19.385 24.458 -3.327 145 HB3 SER 19 HB3 SER 19 -20.385 24.180 -1.904 146 HG SER 19 HG SER 19 -19.136 26.599 -2.716 147 H HIS 20 H HIS 20 -17.315 23.349 -3.523 148 HA HIS 20 HA HIS 20 -17.738 20.606 -2.877 149 HB2 HIS 20 HB2 HIS 20 -15.501 21.389 -4.700 150 HB3 HIS 20 HB3 HIS 20 -16.730 20.142 -4.904 151 HD2 HIS 20 HD2 HIS 20 -19.427 22.047 -4.729 152 HE1 HIS 20 HE1 HIS 20 -17.624 24.264 -7.838 153 HE2 HIS 20 HE2 HIS 20 -19.803 23.813 -6.614 154 H CYS 21 H CYS 21 -15.171 22.933 -2.486 155 HA CYS 21 HA CYS 21 -13.114 21.244 -1.590 156 HB2 CYS 21 HB2 CYS 21 -13.738 24.147 -0.976 157 HB3 CYS 21 HB3 CYS 21 -12.224 23.344 -0.536 158 H ARG 22 H ARG 22 -15.691 22.987 0.129 159 HA ARG 22 HA ARG 22 -14.976 22.346 2.762 160 HB2 ARG 22 HB2 ARG 22 -16.766 23.968 2.100 161 HB3 ARG 22 HB3 ARG 22 -17.784 22.602 1.650 162 HG2 ARG 22 HG2 ARG 22 -18.457 23.110 3.858 163 HG3 ARG 22 HG3 ARG 22 -17.367 21.740 4.052 164 HD2 ARG 22 HD2 ARG 22 -16.216 24.503 4.135 165 HD3 ARG 22 HD3 ARG 22 -17.094 23.913 5.543 166 HE ARG 22 HE ARG 22 -15.339 21.885 4.905 167 HH11 ARG 22 HH21 ARG 22 -15.139 25.264 5.648 168 HH12 ARG 22 HH22 ARG 22 -13.556 25.156 6.342 169 HH21 ARG 22 HH11 ARG 22 -13.264 21.745 5.813 170 HH22 ARG 22 HH12 ARG 22 -12.496 23.167 6.435 171 H MET 23 H MET 23 -17.157 20.673 0.498 172 HA MET 23 HA MET 23 -17.789 18.480 2.140 173 HB2 MET 23 HB2 MET 23 -18.902 19.025 -0.043 174 HB3 MET 23 HB3 MET 23 -17.458 18.450 -0.875 175 HG2 MET 23 HG2 MET 23 -17.735 16.238 0.250 176 HG3 MET 23 HG3 MET 23 -19.237 16.823 0.968 177 HE1 MET 23 HE1 MET 23 -20.901 14.971 -0.196 178 HE2 MET 23 HE2 MET 23 -19.264 14.333 -0.325 179 HE3 MET 23 HE3 MET 23 -20.341 14.264 -1.718 180 H TYR 24 H TYR 24 -15.162 19.018 -0.163 181 HA TYR 24 HA TYR 24 -13.902 16.530 -0.026 182 HB2 TYR 24 HB2 TYR 24 -12.931 17.737 -1.686 183 HB3 TYR 24 HB3 TYR 24 -13.173 19.268 -0.856 184 HD1 TYR 24 HD2 TYR 24 -11.123 16.129 -0.641 185 HD2 TYR 24 HD1 TYR 24 -11.341 20.355 0.106 186 HE1 TYR 24 HE2 TYR 24 -8.742 16.132 0.053 187 HE2 TYR 24 HE1 TYR 24 -8.963 20.356 0.798 188 HH TYR 24 HH TYR 24 -6.837 18.223 0.056 189 H MET 25 H MET 25 -13.422 19.430 1.995 190 HA MET 25 HA MET 25 -11.296 18.497 3.560 191 HB2 MET 25 HB2 MET 25 -13.587 20.336 4.258 192 HB3 MET 25 HB3 MET 25 -12.186 20.085 5.297 193 HG2 MET 25 HG2 MET 25 -12.025 21.046 2.426 194 HG3 MET 25 HG3 MET 25 -11.974 22.107 3.831 195 HE1 MET 25 HE1 MET 25 -10.160 20.382 5.991 196 HE2 MET 25 HE2 MET 25 -10.447 22.078 5.611 197 HE3 MET 25 HE3 MET 25 -8.801 21.452 5.624 198 H ARG 26 H ARG 26 -14.794 18.407 4.330 199 HA ARG 26 HA ARG 26 -14.547 16.882 6.681 200 HB2 ARG 26 HB2 ARG 26 -16.612 18.081 6.041 201 HB3 ARG 26 HB3 ARG 26 -16.858 16.934 4.723 202 HG2 ARG 26 HG2 ARG 26 -16.918 15.081 6.387 203 HG3 ARG 26 HG3 ARG 26 -16.773 16.269 7.683 204 HD2 ARG 26 HD2 ARG 26 -19.010 16.176 5.639 205 HD3 ARG 26 HD3 ARG 26 -19.133 15.617 7.305 206 HE ARG 26 HE ARG 26 -18.279 18.221 7.517 207 HH11 ARG 26 HH21 ARG 26 -20.916 16.580 5.979 208 HH12 ARG 26 HH22 ARG 26 -22.015 17.909 6.145 209 HH21 ARG 26 HH11 ARG 26 -19.718 19.960 7.734 210 HH22 ARG 26 HH12 ARG 26 -21.338 19.819 7.137 211 H GLN 27 H GLN 27 -15.147 15.903 3.334 212 HA GLN 27 HA GLN 27 -15.337 13.148 3.753 213 HB2 GLN 27 HB2 GLN 27 -15.702 13.179 1.540 214 HB3 GLN 27 HB3 GLN 27 -15.350 14.896 1.541 215 HG2 GLN 27 HG2 GLN 27 -13.806 14.167 -0.011 216 HG3 GLN 27 HG3 GLN 27 -12.834 14.051 1.450 217 HE21 GLN 27 HE21 GLN 27 -12.169 11.975 2.128 218 HE22 GLN 27 HE22 GLN 27 -12.563 10.543 1.289 219 H GLN 28 H GLN 28 -12.586 15.325 3.469 220 HA GLN 28 HA GLN 28 -10.596 13.349 3.181 221 HB2 GLN 28 HB2 GLN 28 -10.365 15.877 2.854 222 HB3 GLN 28 HB3 GLN 28 -10.193 15.964 4.605 223 HG2 GLN 28 HG2 GLN 28 -8.500 14.100 2.937 224 HG3 GLN 28 HG3 GLN 28 -8.025 15.770 3.232 225 HE21 GLN 28 HE21 GLN 28 -6.954 13.030 4.268 226 HE22 GLN 28 HE22 GLN 28 -6.850 13.264 5.945 227 H MET 29 H MET 29 -12.110 14.849 6.020 228 HA MET 29 HA MET 29 -10.423 13.717 7.973 229 HB2 MET 29 HB2 MET 29 -13.372 14.390 8.145 230 HB3 MET 29 HB3 MET 29 -12.348 14.010 9.528 231 HG2 MET 29 HG2 MET 29 -10.826 15.909 8.760 232 HG3 MET 29 HG3 MET 29 -12.114 16.369 7.648 233 HE1 MET 29 HE1 MET 29 -14.836 17.571 9.096 234 HE2 MET 29 HE2 MET 29 -15.047 16.122 10.076 235 HE3 MET 29 HE3 MET 29 -14.443 15.981 8.430 236 H GLU 30 H GLU 30 -13.456 12.534 6.525 237 HA GLU 30 HA GLU 30 -13.456 10.042 7.924 238 HB2 GLU 30 HB2 GLU 30 -14.791 10.933 5.360 239 HB3 GLU 30 HB3 GLU 30 -15.008 9.322 6.043 240 HG2 GLU 30 HG2 GLU 30 -16.784 10.400 7.051 241 HG3 GLU 30 HG3 GLU 30 -15.535 10.709 8.254 242 H GLU 31 H GLU 31 -11.938 11.222 5.029 243 HA GLU 31 HA GLU 31 -11.243 8.777 3.807 244 HB2 GLU 31 HB2 GLU 31 -11.038 11.385 3.100 245 HB3 GLU 31 HB3 GLU 31 -9.360 11.027 3.483 246 HG2 GLU 31 HG2 GLU 31 -9.453 9.052 1.986 247 HG3 GLU 31 HG3 GLU 31 -11.116 9.451 1.577 248 H SER 32 H SER 32 -10.216 9.917 6.767 249 HA SER 32 HA SER 32 -7.538 9.680 7.027 250 HB2 SER 32 HB2 SER 32 -7.888 8.784 9.267 251 HB3 SER 32 HB3 SER 32 -9.107 10.005 8.916 252 HG SER 32 HG SER 32 -10.280 7.964 8.090 253 H THR 33 H THR 33 -9.753 7.089 6.271 254 HA THR 33 HA THR 33 -7.841 4.968 6.645 255 HB THR 33 HB THR 33 -10.480 4.945 5.165 256 HG1 THR 33 HG1 THR 33 -10.558 5.579 7.401 257 HG21 THR 33 HG21 THR 33 -10.361 2.497 5.744 258 HG22 THR 33 HG22 THR 33 -8.703 2.760 6.282 259 HG23 THR 33 HG23 THR 33 -9.133 3.018 4.591 260 H TYR 34 H TYR 34 -9.490 6.218 3.738 261 HA TYR 34 HA TYR 34 -7.437 5.025 2.020 262 HB2 TYR 34 HB2 TYR 34 -10.102 6.250 1.306 263 HB3 TYR 34 HB3 TYR 34 -9.036 5.368 0.212 264 HD1 TYR 34 HD2 TYR 34 -8.500 2.940 0.693 265 HD2 TYR 34 HD1 TYR 34 -11.561 5.098 2.800 266 HE1 TYR 34 HE2 TYR 34 -9.488 0.798 1.454 267 HE2 TYR 34 HE1 TYR 34 -12.548 2.956 3.561 268 HH TYR 34 HH TYR 34 -11.397 0.425 3.905 269 H GLN 35 H GLN 35 -7.555 7.970 3.423 270 HA GLN 35 HA GLN 35 -7.570 10.032 1.751 271 HB2 GLN 35 HB2 GLN 35 -5.772 11.108 2.885 272 HB3 GLN 35 HB3 GLN 35 -6.655 10.145 4.074 273 HG2 GLN 35 HG2 GLN 35 -4.120 9.246 2.657 274 HG3 GLN 35 HG3 GLN 35 -4.165 9.931 4.277 275 HE21 GLN 35 HE21 GLN 35 -6.808 8.533 4.804 276 HE22 GLN 35 HE22 GLN 35 -6.385 6.920 5.106 277 H THR 36 H THR 36 -5.137 7.470 1.496 278 HA THR 36 HA THR 36 -3.371 8.800 -0.237 279 HB THR 36 HB THR 36 -2.894 6.431 -1.097 280 HG1 THR 36 HG1 THR 36 -4.910 5.957 0.827 281 HG21 THR 36 HG21 THR 36 -1.590 7.442 0.705 282 HG22 THR 36 HG22 THR 36 -1.890 5.744 1.074 283 HG23 THR 36 HG23 THR 36 -2.830 7.001 1.879 284 H MET 37 H MET 37 -4.098 9.909 -1.919 285 HA MET 37 HA MET 37 -6.417 9.378 -3.413 286 HB2 MET 37 HB2 MET 37 -4.036 10.830 -4.545 287 HB3 MET 37 HB3 MET 37 -5.750 11.140 -4.818 288 HG2 MET 37 HG2 MET 37 -5.720 11.518 -2.167 289 HG3 MET 37 HG3 MET 37 -4.030 11.902 -2.496 290 HE1 MET 37 HE1 MET 37 -3.531 13.197 -4.864 291 HE2 MET 37 HE2 MET 37 -3.199 14.095 -3.384 292 HE3 MET 37 HE3 MET 37 -3.998 14.898 -4.734 293 HA PRO 38 HA PRO 38 -4.607 6.099 -5.922 294 HB2 PRO 38 HB2 PRO 38 -6.914 4.914 -6.623 295 HB3 PRO 38 HB3 PRO 38 -6.284 4.790 -4.968 296 HG2 PRO 38 HG2 PRO 38 -8.492 6.462 -6.031 297 HG3 PRO 38 HG3 PRO 38 -8.328 5.670 -4.457 298 HD2 PRO 38 HD2 PRO 38 -7.805 8.392 -5.000 299 HD3 PRO 38 HD3 PRO 38 -7.330 7.508 -3.532 300 H ARG 39 H ARG 39 -4.231 5.935 -8.123 301 HA ARG 39 HA ARG 39 -4.922 8.084 -9.838 302 HB2 ARG 39 HB2 ARG 39 -4.086 5.315 -10.694 303 HB3 ARG 39 HB3 ARG 39 -3.894 6.812 -11.598 304 HG2 ARG 39 HG2 ARG 39 -2.391 7.682 -9.808 305 HG3 ARG 39 HG3 ARG 39 -2.508 6.125 -8.989 306 HD2 ARG 39 HD2 ARG 39 -1.655 5.043 -11.107 307 HD3 ARG 39 HD3 ARG 39 -1.356 6.659 -11.738 308 HE ARG 39 HE ARG 39 0.503 6.802 -10.352 309 HH11 ARG 39 HH21 ARG 39 -1.568 4.201 -9.368 310 HH12 ARG 39 HH22 ARG 39 -0.447 3.569 -8.208 311 HH21 ARG 39 HH11 ARG 39 1.968 5.976 -8.832 312 HH22 ARG 39 HH12 ARG 39 1.551 4.572 -7.906 313 H ARG 40 H ARG 40 -6.167 4.799 -9.445 314 HA ARG 40 HA ARG 40 -7.960 4.890 -11.636 315 HB2 ARG 40 HB2 ARG 40 -7.906 3.175 -9.148 316 HB3 ARG 40 HB3 ARG 40 -9.059 2.947 -10.463 317 HG2 ARG 40 HG2 ARG 40 -6.071 3.017 -10.920 318 HG3 ARG 40 HG3 ARG 40 -6.942 1.522 -10.581 319 HD2 ARG 40 HD2 ARG 40 -7.534 3.414 -12.876 320 HD3 ARG 40 HD3 ARG 40 -6.676 1.884 -13.015 321 HE ARG 40 HE ARG 40 -9.537 2.244 -12.691 322 HH11 ARG 40 HH21 ARG 40 -6.810 0.127 -12.354 323 HH12 ARG 40 HH22 ARG 40 -7.755 -1.322 -12.446 324 HH21 ARG 40 HH11 ARG 40 -10.771 0.346 -12.809 325 HH22 ARG 40 HH12 ARG 40 -9.992 -1.198 -12.702 326 H GLY 41 H GLY 41 -9.247 6.539 -11.720 327 HA2 GLY 41 HA2 GLY 41 -11.075 7.889 -11.300 328 HA3 GLY 41 HA3 GLY 41 -11.654 6.600 -10.251 329 H MET 42 H MET 42 -9.542 9.435 -10.377 330 HA MET 42 HA MET 42 -8.838 9.611 -7.676 331 HB2 MET 42 HB2 MET 42 -9.306 11.810 -9.705 332 HB3 MET 42 HB3 MET 42 -8.527 12.044 -8.139 333 HG2 MET 42 HG2 MET 42 -6.812 10.354 -8.763 334 HG3 MET 42 HG3 MET 42 -7.568 10.199 -10.349 335 HE1 MET 42 HE1 MET 42 -4.316 12.086 -11.191 336 HE2 MET 42 HE2 MET 42 -5.374 10.731 -11.571 337 HE3 MET 42 HE3 MET 42 -4.576 10.803 -10.002 338 H GLU 43 H GLU 43 -9.621 11.464 -6.213 339 HA GLU 43 HA GLU 43 -12.344 10.970 -5.551 340 HB2 GLU 43 HB2 GLU 43 -10.480 11.593 -3.948 341 HB3 GLU 43 HB3 GLU 43 -10.644 13.249 -4.534 342 HG2 GLU 43 HG2 GLU 43 -12.908 13.395 -3.769 343 HG3 GLU 43 HG3 GLU 43 -12.987 11.660 -3.465 344 HA PRO 44 HA PRO 44 -14.097 13.869 -8.488 345 HB2 PRO 44 HB2 PRO 44 -16.530 13.532 -6.828 346 HB3 PRO 44 HB3 PRO 44 -16.296 13.237 -8.560 347 HG2 PRO 44 HG2 PRO 44 -16.554 11.243 -6.788 348 HG3 PRO 44 HG3 PRO 44 -15.539 11.107 -8.233 349 HD2 PRO 44 HD2 PRO 44 -14.718 11.508 -5.386 350 HD3 PRO 44 HD3 PRO 44 -13.895 10.621 -6.688 351 H HIS 45 H HIS 45 -14.604 14.126 -4.982 352 HA HIS 45 HA HIS 45 -15.590 16.721 -4.805 353 HB2 HIS 45 HB2 HIS 45 -13.638 15.353 -2.933 354 HB3 HIS 45 HB3 HIS 45 -14.611 16.769 -2.542 355 HD2 HIS 45 HD2 HIS 45 -17.288 15.202 -4.246 356 HE1 HIS 45 HE1 HIS 45 -17.112 12.801 -0.779 357 HE2 HIS 45 HE2 HIS 45 -18.548 13.459 -2.768 358 H MET 46 H MET 46 -12.222 15.612 -4.920 359 HA MET 46 HA MET 46 -11.023 18.177 -4.756 360 HB2 MET 46 HB2 MET 46 -9.990 15.602 -5.976 361 HB3 MET 46 HB3 MET 46 -9.008 17.021 -5.618 362 HG2 MET 46 HG2 MET 46 -9.667 16.836 -3.222 363 HG3 MET 46 HG3 MET 46 -10.556 15.363 -3.605 364 HE1 MET 46 HE1 MET 46 -9.372 14.814 -1.660 365 HE2 MET 46 HE2 MET 46 -7.637 14.610 -1.438 366 HE3 MET 46 HE3 MET 46 -8.592 13.295 -2.120 367 H SER 47 H SER 47 -12.027 16.132 -7.459 368 HA SER 47 HA SER 47 -10.951 17.611 -9.577 369 HB2 SER 47 HB2 SER 47 -13.548 16.064 -9.601 370 HB3 SER 47 HB3 SER 47 -12.537 16.456 -10.987 371 HG SER 47 HG SER 47 -11.856 14.828 -8.760 372 H GLU 48 H GLU 48 -14.033 17.977 -7.857 373 HA GLU 48 HA GLU 48 -15.161 19.918 -9.577 374 HB2 GLU 48 HB2 GLU 48 -15.607 19.369 -6.634 375 HB3 GLU 48 HB3 GLU 48 -16.586 20.484 -7.586 376 HG2 GLU 48 HG2 GLU 48 -16.238 17.514 -8.090 377 HG3 GLU 48 HG3 GLU 48 -17.692 18.311 -7.499 378 H CYS 49 H CYS 49 -13.136 20.211 -6.676 379 HA CYS 49 HA CYS 49 -13.218 23.059 -6.576 380 HB2 CYS 49 HB2 CYS 49 -11.448 20.960 -5.350 381 HB3 CYS 49 HB3 CYS 49 -11.050 22.669 -5.193 382 H CYS 50 H CYS 50 -10.739 20.774 -7.734 383 HA CYS 50 HA CYS 50 -8.838 22.567 -8.657 384 HB2 CYS 50 HB2 CYS 50 -8.652 20.049 -8.539 385 HB3 CYS 50 HB3 CYS 50 -9.550 19.996 -10.060 386 H GLU 51 H GLU 51 -11.738 21.393 -10.316 387 HA GLU 51 HA GLU 51 -11.200 22.368 -12.873 388 HB2 GLU 51 HB2 GLU 51 -13.088 20.865 -12.304 389 HB3 GLU 51 HB3 GLU 51 -13.899 22.215 -11.511 390 HG2 GLU 51 HG2 GLU 51 -14.779 21.996 -13.768 391 HG3 GLU 51 HG3 GLU 51 -13.825 23.473 -13.672 392 H GLN 52 H GLN 52 -12.544 24.031 -10.054 393 HA GLN 52 HA GLN 52 -13.404 26.372 -11.325 394 HB2 GLN 52 HB2 GLN 52 -13.685 25.572 -8.864 395 HB3 GLN 52 HB3 GLN 52 -12.179 26.457 -8.592 396 HG2 GLN 52 HG2 GLN 52 -13.712 28.166 -8.257 397 HG3 GLN 52 HG3 GLN 52 -13.418 28.331 -9.985 398 HE21 GLN 52 HE21 GLN 52 -15.236 28.207 -11.328 399 HE22 GLN 52 HE22 GLN 52 -16.753 27.626 -10.839 400 H LEU 53 H LEU 53 -10.259 25.771 -9.713 401 HA LEU 53 HA LEU 53 -9.028 28.233 -10.321 402 HB2 LEU 53 HB2 LEU 53 -7.643 25.535 -10.282 403 HB3 LEU 53 HB3 LEU 53 -6.915 27.099 -9.967 404 HG LEU 53 HG LEU 53 -7.232 26.182 -7.817 405 HD11 LEU 53 HD11 LEU 53 -8.281 28.499 -8.194 406 HD12 LEU 53 HD12 LEU 53 -8.805 27.618 -6.759 407 HD13 LEU 53 HD13 LEU 53 -9.839 27.672 -8.187 408 HD21 LEU 53 HD21 LEU 53 -8.718 24.525 -7.413 409 HD22 LEU 53 HD22 LEU 53 -9.110 24.599 -9.129 410 HD23 LEU 53 HD23 LEU 53 -10.072 25.510 -7.967 411 H GLU 54 H GLU 54 -9.052 25.155 -11.909 412 HA GLU 54 HA GLU 54 -7.508 25.635 -14.140 413 HB2 GLU 54 HB2 GLU 54 -8.081 23.449 -13.594 414 HB3 GLU 54 HB3 GLU 54 -9.800 23.806 -13.486 415 HG2 GLU 54 HG2 GLU 54 -9.370 22.587 -15.563 416 HG3 GLU 54 HG3 GLU 54 -9.801 24.245 -15.967 417 H GLY 55 H GLY 55 -10.801 26.583 -13.445 418 HA2 GLY 55 HA2 GLY 55 -11.242 27.506 -16.201 419 HA3 GLY 55 HA3 GLY 55 -12.449 27.446 -14.917 420 H MET 56 H MET 56 -10.086 28.665 -13.226 421 HA MET 56 HA MET 56 -10.945 31.423 -13.587 422 HB2 MET 56 HB2 MET 56 -10.835 30.701 -11.321 423 HB3 MET 56 HB3 MET 56 -9.222 30.024 -11.538 424 HG2 MET 56 HG2 MET 56 -8.307 32.277 -11.902 425 HG3 MET 56 HG3 MET 56 -9.915 32.974 -11.727 426 HE1 MET 56 HE1 MET 56 -11.184 33.276 -9.788 427 HE2 MET 56 HE2 MET 56 -10.849 32.742 -8.144 428 HE3 MET 56 HE3 MET 56 -11.330 31.566 -9.363 429 H ASP 57 H ASP 57 -9.485 33.200 -13.849 430 HA ASP 57 HA ASP 57 -7.648 32.982 -15.923 431 HB2 ASP 57 HB2 ASP 57 -7.705 35.030 -13.693 432 HB3 ASP 57 HB3 ASP 57 -6.844 35.209 -15.219 433 H GLU 58 H GLU 58 -5.442 32.692 -16.070 434 HA GLU 58 HA GLU 58 -4.151 31.070 -14.206 435 HB2 GLU 58 HB2 GLU 58 -3.362 31.180 -16.484 436 HB3 GLU 58 HB3 GLU 58 -2.958 32.891 -16.304 437 HG2 GLU 58 HG2 GLU 58 -1.339 32.332 -14.537 438 HG3 GLU 58 HG3 GLU 58 -1.736 30.623 -14.708 439 H SER 59 H SER 59 -3.707 34.571 -14.742 440 HA SER 59 HA SER 59 -1.789 35.042 -12.778 441 HB2 SER 59 HB2 SER 59 -4.061 36.838 -13.666 442 HB3 SER 59 HB3 SER 59 -2.650 37.367 -12.758 443 HG SER 59 HG SER 59 -2.522 36.020 -15.252 444 H CYS 60 H CYS 60 -5.246 34.682 -12.563 445 HA CYS 60 HA CYS 60 -5.454 35.455 -9.796 446 HB2 CYS 60 HB2 CYS 60 -7.396 34.038 -11.628 447 HB3 CYS 60 HB3 CYS 60 -7.777 34.606 -10.004 448 H ARG 61 H ARG 61 -4.761 32.541 -11.522 449 HA ARG 61 HA ARG 61 -5.588 30.605 -9.674 450 HB2 ARG 61 HB2 ARG 61 -4.795 30.195 -12.021 451 HB3 ARG 61 HB3 ARG 61 -3.147 30.458 -11.453 452 HG2 ARG 61 HG2 ARG 61 -3.492 28.623 -9.776 453 HG3 ARG 61 HG3 ARG 61 -5.061 28.303 -10.516 454 HD2 ARG 61 HD2 ARG 61 -2.357 28.131 -11.874 455 HD3 ARG 61 HD3 ARG 61 -3.411 26.783 -11.466 456 HE ARG 61 HE ARG 61 -3.690 28.572 -13.724 457 HH11 ARG 61 HH21 ARG 61 -5.271 26.391 -11.543 458 HH12 ARG 61 HH22 ARG 61 -6.577 26.043 -12.625 459 HH21 ARG 61 HH11 ARG 61 -5.398 28.122 -15.139 460 HH22 ARG 61 HH12 ARG 61 -6.650 27.026 -14.661 461 H CYS 62 H CYS 62 -2.508 32.401 -9.891 462 HA CYS 62 HA CYS 62 -1.111 31.017 -7.886 463 HB2 CYS 62 HB2 CYS 62 -0.912 33.994 -8.390 464 HB3 CYS 62 HB3 CYS 62 0.344 32.919 -7.781 465 H GLU 63 H GLU 63 -2.827 34.122 -7.587 466 HA GLU 63 HA GLU 63 -2.781 34.260 -4.771 467 HB2 GLU 63 HB2 GLU 63 -3.206 36.183 -6.287 468 HB3 GLU 63 HB3 GLU 63 -4.785 35.500 -6.670 469 HG2 GLU 63 HG2 GLU 63 -5.364 35.584 -4.239 470 HG3 GLU 63 HG3 GLU 63 -3.821 36.374 -3.929 471 H GLY 64 H GLY 64 -5.092 32.870 -7.029 472 HA2 GLY 64 HA2 GLY 64 -7.325 32.511 -5.475 473 HA3 GLY 64 HA3 GLY 64 -6.826 31.394 -6.734 474 H LEU 65 H LEU 65 -4.706 30.081 -5.818 475 HA LEU 65 HA LEU 65 -5.747 28.239 -4.002 476 HB2 LEU 65 HB2 LEU 65 -2.850 28.821 -4.656 477 HB3 LEU 65 HB3 LEU 65 -3.427 27.382 -3.812 478 HG LEU 65 HG LEU 65 -4.156 28.238 -6.630 479 HD11 LEU 65 HD11 LEU 65 -2.578 25.908 -5.500 480 HD12 LEU 65 HD12 LEU 65 -1.966 27.207 -6.524 481 HD13 LEU 65 HD13 LEU 65 -3.094 26.024 -7.182 482 HD21 LEU 65 HD21 LEU 65 -5.310 25.912 -6.562 483 HD22 LEU 65 HD22 LEU 65 -6.136 27.255 -5.775 484 HD23 LEU 65 HD23 LEU 65 -5.240 26.082 -4.808 485 H ARG 66 H ARG 66 -3.373 30.836 -3.359 486 HA ARG 66 HA ARG 66 -3.070 30.337 -0.611 487 HB2 ARG 66 HB2 ARG 66 -2.902 32.950 -2.135 488 HB3 ARG 66 HB3 ARG 66 -2.350 32.720 -0.475 489 HG2 ARG 66 HG2 ARG 66 -0.805 30.936 -1.260 490 HG3 ARG 66 HG3 ARG 66 -1.320 31.244 -2.919 491 HD2 ARG 66 HD2 ARG 66 0.726 32.471 -2.556 492 HD3 ARG 66 HD3 ARG 66 -0.593 33.637 -2.619 493 HE ARG 66 HE ARG 66 -0.136 32.833 0.069 494 HH11 ARG 66 HH21 ARG 66 1.218 34.703 -2.517 495 HH12 ARG 66 HH22 ARG 66 2.039 35.809 -1.467 496 HH21 ARG 66 HH11 ARG 66 0.939 34.280 1.444 497 HH22 ARG 66 HH12 ARG 66 1.880 35.569 0.773 498 H MET 67 H MET 67 -5.268 32.545 -2.311 499 HA MET 67 HA MET 67 -6.602 33.575 -0.063 500 HB2 MET 67 HB2 MET 67 -6.876 34.735 -2.097 501 HB3 MET 67 HB3 MET 67 -7.358 33.279 -2.963 502 HG2 MET 67 HG2 MET 67 -9.455 33.178 -1.741 503 HG3 MET 67 HG3 MET 67 -8.967 34.532 -0.720 504 HE1 MET 67 HE1 MET 67 -7.567 36.595 -2.871 505 HE2 MET 67 HE2 MET 67 -8.503 36.761 -1.388 506 HE3 MET 67 HE3 MET 67 -9.027 37.594 -2.850 507 H MET 68 H MET 68 -7.489 30.896 -2.222 508 HA MET 68 HA MET 68 -9.901 30.206 -0.969 509 HB2 MET 68 HB2 MET 68 -9.372 29.409 -3.178 510 HB3 MET 68 HB3 MET 68 -7.955 28.550 -2.581 511 HG2 MET 68 HG2 MET 68 -9.226 26.743 -2.185 512 HG3 MET 68 HG3 MET 68 -10.198 27.676 -1.046 513 HE1 MET 68 HE1 MET 68 -13.106 29.038 -2.916 514 HE2 MET 68 HE2 MET 68 -11.603 29.952 -2.999 515 HE3 MET 68 HE3 MET 68 -12.021 29.091 -1.521 516 H MET 69 H MET 69 -6.600 28.958 -0.435 517 HA MET 69 HA MET 69 -7.163 26.920 1.357 518 HB2 MET 69 HB2 MET 69 -4.902 27.483 0.443 519 HB3 MET 69 HB3 MET 69 -4.830 28.840 1.567 520 HG2 MET 69 HG2 MET 69 -5.155 27.237 3.458 521 HG3 MET 69 HG3 MET 69 -5.095 25.908 2.300 522 HE1 MET 69 HE1 MET 69 -3.527 28.691 4.102 523 HE2 MET 69 HE2 MET 69 -2.867 29.330 2.599 524 HE3 MET 69 HE3 MET 69 -1.784 28.636 3.803 525 H ARG 70 H ARG 70 -6.343 30.287 2.205 526 HA ARG 70 HA ARG 70 -6.894 30.083 4.953 527 HB2 ARG 70 HB2 ARG 70 -5.625 31.936 3.891 528 HB3 ARG 70 HB3 ARG 70 -7.128 32.532 3.188 529 HG2 ARG 70 HG2 ARG 70 -8.079 32.839 5.435 530 HG3 ARG 70 HG3 ARG 70 -6.603 32.200 6.158 531 HD2 ARG 70 HD2 ARG 70 -6.485 34.614 6.235 532 HD3 ARG 70 HD3 ARG 70 -5.329 34.049 5.032 533 HE ARG 70 HE ARG 70 -7.890 34.653 3.877 534 HH11 ARG 70 HH21 ARG 70 -4.912 35.994 5.038 535 HH12 ARG 70 HH22 ARG 70 -4.992 37.395 4.023 536 HH21 ARG 70 HH11 ARG 70 -7.994 36.484 2.547 537 HH22 ARG 70 HH12 ARG 70 -6.735 37.672 2.614 538 H MET 71 H MET 71 -8.960 31.003 2.228 539 HA MET 71 HA MET 71 -11.219 31.804 3.697 540 HB2 MET 71 HB2 MET 71 -10.794 32.226 1.252 541 HB3 MET 71 HB3 MET 71 -11.214 30.540 0.949 542 HG2 MET 71 HG2 MET 71 -13.423 30.947 2.066 543 HG3 MET 71 HG3 MET 71 -13.002 32.655 2.186 544 HE1 MET 71 HE1 MET 71 -11.411 33.132 -0.727 545 HE2 MET 71 HE2 MET 71 -12.354 34.096 0.406 546 HE3 MET 71 HE3 MET 71 -12.848 34.002 -1.282 547 H MET 72 H MET 72 -10.173 28.647 2.502 548 HA MET 72 HA MET 72 -12.522 27.226 2.958 549 HB2 MET 72 HB2 MET 72 -9.627 26.432 2.945 550 HB3 MET 72 HB3 MET 72 -10.879 25.253 3.325 551 HG2 MET 72 HG2 MET 72 -10.746 26.932 0.804 552 HG3 MET 72 HG3 MET 72 -10.353 25.219 0.917 553 HE1 MET 72 HE1 MET 72 -13.550 23.474 1.818 554 HE2 MET 72 HE2 MET 72 -12.805 24.352 3.146 555 HE3 MET 72 HE3 MET 72 -11.790 23.554 1.947 556 H GLN 73 H GLN 73 -9.742 27.660 5.139 557 HA GLN 73 HA GLN 73 -10.786 26.226 7.317 558 HB2 GLN 73 HB2 GLN 73 -8.913 28.603 7.360 559 HB3 GLN 73 HB3 GLN 73 -9.137 27.446 8.667 560 HG2 GLN 73 HG2 GLN 73 -7.979 26.934 5.919 561 HG3 GLN 73 HG3 GLN 73 -7.175 26.754 7.477 562 HE21 GLN 73 HE21 GLN 73 -8.929 25.073 5.083 563 HE22 GLN 73 HE22 GLN 73 -9.271 23.677 5.980 564 H GLN 74 H GLN 74 -11.051 29.635 6.429 565 HA GLN 74 HA GLN 74 -12.424 30.521 8.719 566 HB2 GLN 74 HB2 GLN 74 -11.497 32.214 7.421 567 HB3 GLN 74 HB3 GLN 74 -12.148 31.557 5.921 568 HG2 GLN 74 HG2 GLN 74 -14.211 32.220 7.906 569 HG3 GLN 74 HG3 GLN 74 -13.279 33.620 7.367 570 HE21 GLN 74 HE21 GLN 74 -13.637 30.894 5.190 571 HE22 GLN 74 HE22 GLN 74 -14.742 31.635 4.145 572 H LYS 75 H LYS 75 -13.624 29.203 5.657 573 HA LYS 75 HA LYS 75 -16.330 29.789 5.948 574 HB2 LYS 75 HB2 LYS 75 -15.288 28.829 3.906 575 HB3 LYS 75 HB3 LYS 75 -15.132 27.284 4.739 576 HG2 LYS 75 HG2 LYS 75 -17.142 27.100 3.483 577 HG3 LYS 75 HG3 LYS 75 -17.669 27.419 5.134 578 HD2 LYS 75 HD2 LYS 75 -17.976 29.789 4.619 579 HD3 LYS 75 HD3 LYS 75 -17.340 29.543 2.992 580 HE2 LYS 75 HE2 LYS 75 -19.776 29.578 2.895 581 HE3 LYS 75 HE3 LYS 75 -19.211 27.944 2.549 582 HZ1 LYS 75 HZ1 LYS 75 -21.098 28.151 4.182 583 HZ2 LYS 75 HZ2 LYS 75 -19.977 28.816 5.272 584 HZ3 LYS 75 HZ3 LYS 75 -19.771 27.230 4.697 585 H GLU 76 H GLU 76 -14.513 26.991 7.133 586 HA GLU 76 HA GLU 76 -16.231 26.658 9.393 587 HB2 GLU 76 HB2 GLU 76 -17.645 25.688 7.534 588 HB3 GLU 76 HB3 GLU 76 -16.400 24.459 7.324 589 HG2 GLU 76 HG2 GLU 76 -18.090 23.539 8.782 590 HG3 GLU 76 HG3 GLU 76 -16.661 23.871 9.757 591 H MET 77 H MET 77 -13.952 26.902 10.129 592 HA MET 77 HA MET 77 -11.919 25.086 9.579 593 HB2 MET 77 HB2 MET 77 -12.128 27.266 11.190 594 HB3 MET 77 HB3 MET 77 -12.053 25.973 12.388 595 HG2 MET 77 HG2 MET 77 -10.089 26.409 10.119 596 HG3 MET 77 HG3 MET 77 -9.793 26.730 11.821 597 HE1 MET 77 HE1 MET 77 -11.055 24.095 13.403 598 HE2 MET 77 HE2 MET 77 -9.766 25.279 13.593 599 HE3 MET 77 HE3 MET 77 -9.380 23.560 13.577 600 H GLN 78 H GLN 78 -12.603 23.002 9.431 601 HA GLN 78 HA GLN 78 -14.181 21.580 11.272 602 HB2 GLN 78 HB2 GLN 78 -11.949 20.240 9.770 603 HB3 GLN 78 HB3 GLN 78 -13.576 19.649 10.103 604 HG2 GLN 78 HG2 GLN 78 -14.366 21.638 8.628 605 HG3 GLN 78 HG3 GLN 78 -12.697 21.688 8.064 606 HE21 GLN 78 HE21 GLN 78 -15.360 20.768 6.742 607 HE22 GLN 78 HE22 GLN 78 -14.971 19.243 6.106 608 HA PRO 79 HA PRO 79 -11.121 20.992 14.447 609 HB2 PRO 79 HB2 PRO 79 -12.434 19.321 16.067 610 HB3 PRO 79 HB3 PRO 79 -13.075 20.947 15.747 611 HG2 PRO 79 HG2 PRO 79 -13.949 18.325 14.673 612 HG3 PRO 79 HG3 PRO 79 -14.906 19.759 15.077 613 HD2 PRO 79 HD2 PRO 79 -13.998 19.010 12.490 614 HD3 PRO 79 HD3 PRO 79 -14.734 20.564 12.945 615 H ARG 80 H ARG 80 -9.345 19.943 13.804 616 HA ARG 80 HA ARG 80 -8.939 17.219 14.346 617 HB2 ARG 80 HB2 ARG 80 -10.306 17.289 12.075 618 HB3 ARG 80 HB3 ARG 80 -8.728 17.679 11.393 619 HG2 ARG 80 HG2 ARG 80 -8.957 15.295 11.301 620 HG3 ARG 80 HG3 ARG 80 -7.816 15.641 12.599 621 HD2 ARG 80 HD2 ARG 80 -9.668 15.431 14.243 622 HD3 ARG 80 HD3 ARG 80 -10.774 15.045 12.928 623 HE ARG 80 HE ARG 80 -8.899 13.256 14.158 624 HH11 ARG 80 HH21 ARG 80 -10.484 14.085 11.182 625 HH12 ARG 80 HH22 ARG 80 -10.359 12.490 10.517 626 HH21 ARG 80 HH11 ARG 80 -8.738 11.171 13.283 627 HH22 ARG 80 HH12 ARG 80 -9.373 10.843 11.706 628 H GLY 81 H GLY 81 -6.779 17.099 14.829 629 HA2 GLY 81 HA2 GLY 81 -5.095 19.332 13.988 630 HA3 GLY 81 HA3 GLY 81 -4.704 18.139 15.213 631 H GLU 82 H GLU 82 -4.255 15.908 14.380 632 HA GLU 82 HA GLU 82 -2.102 15.968 12.597 633 HB2 GLU 82 HB2 GLU 82 -3.748 13.650 13.612 634 HB3 GLU 82 HB3 GLU 82 -2.254 13.470 12.695 635 HG2 GLU 82 HG2 GLU 82 -1.538 13.377 14.941 636 HG3 GLU 82 HG3 GLU 82 -1.199 15.037 14.462 637 H GLN 83 H GLN 83 -5.461 14.925 11.987 638 HA GLN 83 HA GLN 83 -5.034 13.785 9.471 639 HB2 GLN 83 HB2 GLN 83 -7.154 13.760 10.907 640 HB3 GLN 83 HB3 GLN 83 -7.518 15.322 10.174 641 HG2 GLN 83 HG2 GLN 83 -8.611 13.710 8.804 642 HG3 GLN 83 HG3 GLN 83 -7.172 14.196 7.911 643 HE21 GLN 83 HE21 GLN 83 -6.140 12.415 7.013 644 HE22 GLN 83 HE22 GLN 83 -6.051 10.876 7.724 645 H MET 84 H MET 84 -6.446 17.030 10.020 646 HA MET 84 HA MET 84 -6.193 17.849 7.347 647 HB2 MET 84 HB2 MET 84 -6.474 19.408 9.903 648 HB3 MET 84 HB3 MET 84 -6.408 20.188 8.320 649 HG2 MET 84 HG2 MET 84 -8.299 18.622 7.610 650 HG3 MET 84 HG3 MET 84 -8.462 18.187 9.310 651 HE1 MET 84 HE1 MET 84 -7.603 20.814 10.707 652 HE2 MET 84 HE2 MET 84 -9.027 19.929 11.243 653 HE3 MET 84 HE3 MET 84 -9.127 21.666 10.973 654 H ARG 85 H ARG 85 -3.913 18.045 10.035 655 HA ARG 85 HA ARG 85 -2.102 19.899 9.027 656 HB2 ARG 85 HB2 ARG 85 -1.903 18.833 11.255 657 HB3 ARG 85 HB3 ARG 85 -1.445 17.319 10.478 658 HG2 ARG 85 HG2 ARG 85 0.530 18.408 9.491 659 HG3 ARG 85 HG3 ARG 85 0.063 19.939 10.232 660 HD2 ARG 85 HD2 ARG 85 1.744 18.886 11.632 661 HD3 ARG 85 HD3 ARG 85 0.198 18.841 12.474 662 HE ARG 85 HE ARG 85 0.881 16.479 10.892 663 HH11 ARG 85 HH21 ARG 85 0.792 18.065 13.975 664 HH12 ARG 85 HH22 ARG 85 0.884 16.593 14.883 665 HH21 ARG 85 HH11 ARG 85 1.003 14.556 12.083 666 HH22 ARG 85 HH12 ARG 85 1.003 14.610 13.814 667 H ARG 86 H ARG 86 -2.256 16.395 8.439 668 HA ARG 86 HA ARG 86 -0.129 16.276 6.573 669 HB2 ARG 86 HB2 ARG 86 -2.570 14.509 6.900 670 HB3 ARG 86 HB3 ARG 86 -1.183 14.124 5.880 671 HG2 ARG 86 HG2 ARG 86 0.299 14.218 7.851 672 HG3 ARG 86 HG3 ARG 86 -1.082 14.604 8.874 673 HD2 ARG 86 HD2 ARG 86 -0.681 12.235 9.070 674 HD3 ARG 86 HD3 ARG 86 -2.148 12.450 8.120 675 HE ARG 86 HE ARG 86 0.247 12.247 6.512 676 HH11 ARG 86 HH21 ARG 86 -2.262 10.531 8.183 677 HH12 ARG 86 HH22 ARG 86 -2.140 9.117 7.190 678 HH21 ARG 86 HH11 ARG 86 0.404 10.394 5.214 679 HH22 ARG 86 HH12 ARG 86 -0.633 9.039 5.513 680 H MET 87 H MET 87 -3.583 16.884 6.289 681 HA MET 87 HA MET 87 -3.904 16.728 3.534 682 HB2 MET 87 HB2 MET 87 -5.717 17.044 5.285 683 HB3 MET 87 HB3 MET 87 -5.322 18.764 5.246 684 HG2 MET 87 HG2 MET 87 -5.541 18.398 2.615 685 HG3 MET 87 HG3 MET 87 -6.562 17.058 3.123 686 HE1 MET 87 HE1 MET 87 -7.868 17.303 5.193 687 HE2 MET 87 HE2 MET 87 -9.326 17.712 4.295 688 HE3 MET 87 HE3 MET 87 -8.843 18.698 5.669 689 H MET 88 H MET 88 -2.356 19.252 5.424 690 HA MET 88 HA MET 88 -2.574 21.493 3.903 691 HB2 MET 88 HB2 MET 88 -0.071 20.309 5.123 692 HB3 MET 88 HB3 MET 88 -0.174 21.954 4.493 693 HG2 MET 88 HG2 MET 88 -1.794 22.592 6.112 694 HG3 MET 88 HG3 MET 88 -2.133 20.918 6.548 695 HE1 MET 88 HE1 MET 88 1.641 21.873 5.891 696 HE2 MET 88 HE2 MET 88 1.886 23.002 7.222 697 HE3 MET 88 HE3 MET 88 0.674 23.352 5.993 698 H ARG 89 H ARG 89 -0.114 18.961 3.297 699 HA ARG 89 HA ARG 89 0.712 19.973 0.786 700 HB2 ARG 89 HB2 ARG 89 0.803 17.133 1.844 701 HB3 ARG 89 HB3 ARG 89 1.691 17.727 0.442 702 HG2 ARG 89 HG2 ARG 89 1.972 18.864 3.242 703 HG3 ARG 89 HG3 ARG 89 3.068 17.674 2.541 704 HD2 ARG 89 HD2 ARG 89 2.528 20.454 1.455 705 HD3 ARG 89 HD3 ARG 89 3.991 19.931 2.280 706 HE ARG 89 HE ARG 89 3.274 19.392 -0.471 707 HH11 ARG 89 HH21 ARG 89 5.110 18.383 2.292 708 HH12 ARG 89 HH22 ARG 89 6.291 17.525 1.360 709 HH21 ARG 89 HH11 ARG 89 4.821 18.269 -1.689 710 HH22 ARG 89 HH12 ARG 89 6.128 17.461 -0.890 711 H LEU 90 H LEU 90 -1.767 17.659 1.753 712 HA LEU 90 HA LEU 90 -2.526 16.649 -0.735 713 HB2 LEU 90 HB2 LEU 90 -3.284 15.710 1.388 714 HB3 LEU 90 HB3 LEU 90 -4.195 17.177 1.728 715 HG LEU 90 HG LEU 90 -5.506 16.762 -0.383 716 HD11 LEU 90 HD11 LEU 90 -3.818 14.271 -0.283 717 HD12 LEU 90 HD12 LEU 90 -4.137 15.334 -1.654 718 HD13 LEU 90 HD13 LEU 90 -5.403 14.262 -1.055 719 HD21 LEU 90 HD21 LEU 90 -5.557 15.251 2.134 720 HD22 LEU 90 HD22 LEU 90 -6.387 14.426 0.814 721 HD23 LEU 90 HD23 LEU 90 -6.873 16.055 1.281 722 H ALA 91 H ALA 91 -3.648 19.554 0.977 723 HA ALA 91 HA ALA 91 -5.734 20.273 -0.727 724 HB1 ALA 91 HB1 ALA 91 -5.231 21.360 1.449 725 HB2 ALA 91 HB2 ALA 91 -5.462 22.526 0.145 726 HB3 ALA 91 HB3 ALA 91 -3.834 22.141 0.707 727 H GLU 92 H GLU 92 -2.312 21.241 -0.853 728 HA GLU 92 HA GLU 92 -2.452 22.779 -3.210 729 HB2 GLU 92 HB2 GLU 92 -0.543 22.776 -1.604 730 HB3 GLU 92 HB3 GLU 92 -0.091 21.178 -2.192 731 HG2 GLU 92 HG2 GLU 92 -0.475 23.407 -4.169 732 HG3 GLU 92 HG3 GLU 92 1.014 23.346 -3.233 733 H ASN 93 H ASN 93 -2.265 19.325 -2.697 734 HA ASN 93 HA ASN 93 -1.389 18.612 -5.308 735 HB2 ASN 93 HB2 ASN 93 -2.950 17.018 -3.263 736 HB3 ASN 93 HB3 ASN 93 -2.221 16.351 -4.722 737 HD21 ASN 93 HD21 ASN 93 -0.098 18.731 -3.858 738 HD22 ASN 93 HD22 ASN 93 0.943 17.838 -2.858 739 H ILE 94 H ILE 94 -4.569 19.255 -3.923 740 HA ILE 94 HA ILE 94 -6.198 18.094 -5.853 741 HB ILE 94 HB ILE 94 -6.583 20.610 -4.225 742 HG12 ILE 94 HG12 ILE 94 -7.896 17.893 -4.000 743 HG13 ILE 94 HG13 ILE 94 -6.423 18.315 -3.126 744 HG21 ILE 94 HG21 ILE 94 -8.427 19.215 -6.170 745 HG22 ILE 94 HG22 ILE 94 -8.039 20.933 -6.076 746 HG23 ILE 94 HG23 ILE 94 -9.052 20.189 -4.840 747 HD11 ILE 94 HD11 ILE 94 -9.041 18.811 -2.283 748 HD12 ILE 94 HD12 ILE 94 -8.463 20.380 -2.845 749 HD13 ILE 94 HD13 ILE 94 -7.573 19.508 -1.596 750 HA PRO 95 HA PRO 95 -6.009 22.121 -8.511 751 HB2 PRO 95 HB2 PRO 95 -3.960 23.874 -7.958 752 HB3 PRO 95 HB3 PRO 95 -5.592 24.012 -7.277 753 HG2 PRO 95 HG2 PRO 95 -3.118 22.907 -6.057 754 HG3 PRO 95 HG3 PRO 95 -4.389 23.904 -5.330 755 HD2 PRO 95 HD2 PRO 95 -4.254 21.220 -4.932 756 HD3 PRO 95 HD3 PRO 95 -5.794 22.102 -4.970 757 H SER 96 H SER 96 -3.159 20.482 -7.397 758 HA SER 96 HA SER 96 -1.361 20.983 -9.509 759 HB2 SER 96 HB2 SER 96 -1.621 18.442 -7.884 760 HB3 SER 96 HB3 SER 96 -0.210 18.961 -8.799 761 HG SER 96 HG SER 96 -1.402 20.346 -6.621 762 H ARG 97 H ARG 97 -4.031 18.916 -9.036 763 HA ARG 97 HA ARG 97 -3.827 17.033 -11.027 764 HB2 ARG 97 HB2 ARG 97 -6.229 18.514 -9.948 765 HB3 ARG 97 HB3 ARG 97 -6.305 17.056 -10.895 766 HG2 ARG 97 HG2 ARG 97 -4.730 17.226 -8.336 767 HG3 ARG 97 HG3 ARG 97 -6.414 16.708 -8.384 768 HD2 ARG 97 HD2 ARG 97 -5.748 14.931 -10.034 769 HD3 ARG 97 HD3 ARG 97 -4.068 15.395 -9.784 770 HE ARG 97 HE ARG 97 -4.117 14.243 -7.776 771 HH11 ARG 97 HH21 ARG 97 -7.341 14.967 -8.828 772 HH12 ARG 97 HH22 ARG 97 -8.100 14.058 -7.564 773 HH21 ARG 97 HH11 ARG 97 -5.115 13.047 -6.127 774 HH22 ARG 97 HH12 ARG 97 -6.844 12.974 -6.040 775 H CYS 98 H CYS 98 -5.237 20.321 -11.261 776 HA CYS 98 HA CYS 98 -5.323 20.012 -14.190 777 HB2 CYS 98 HB2 CYS 98 -6.542 22.368 -12.844 778 HB3 CYS 98 HB3 CYS 98 -7.070 21.487 -14.274 779 H ASN 99 H ASN 99 -3.356 21.208 -11.797 780 HA ASN 99 HA ASN 99 -2.773 23.768 -12.656 781 HB2 ASN 99 HB2 ASN 99 -1.075 21.748 -11.268 782 HB3 ASN 99 HB3 ASN 99 -0.373 23.236 -11.924 783 HD21 ASN 99 HD21 ASN 99 -2.602 24.985 -11.498 784 HD22 ASN 99 HD22 ASN 99 -2.800 25.192 -9.826 785 H LEU 100 H LEU 100 -1.194 24.625 -13.811 786 HA LEU 100 HA LEU 100 -0.018 23.044 -15.985 787 HB2 LEU 100 HB2 LEU 100 -1.122 25.283 -17.228 788 HB3 LEU 100 HB3 LEU 100 -1.771 23.642 -17.287 789 HG LEU 100 HG LEU 100 -2.865 24.287 -14.955 790 HD11 LEU 100 HD11 LEU 100 -1.850 26.857 -16.008 791 HD12 LEU 100 HD12 LEU 100 -2.179 26.358 -14.349 792 HD13 LEU 100 HD13 LEU 100 -3.504 26.869 -15.393 793 HD21 LEU 100 HD21 LEU 100 -4.215 23.748 -16.835 794 HD22 LEU 100 HD22 LEU 100 -3.829 25.276 -17.628 795 HD23 LEU 100 HD23 LEU 100 -4.816 25.264 -16.166 796 H SER 101 H SER 101 1.899 23.835 -16.633 797 HA SER 101 HA SER 101 3.488 25.511 -15.200 798 HB2 SER 101 HB2 SER 101 4.818 25.797 -17.331 799 HB3 SER 101 HB3 SER 101 4.464 24.131 -16.882 800 HG SER 101 HG SER 101 2.583 24.368 -18.304 801 HA PRO 102 HA PRO 102 1.373 29.379 -16.326 802 HB2 PRO 102 HB2 PRO 102 2.226 30.374 -13.734 803 HB3 PRO 102 HB3 PRO 102 0.585 29.977 -14.272 804 HG2 PRO 102 HG2 PRO 102 1.915 28.568 -12.362 805 HG3 PRO 102 HG3 PRO 102 0.675 27.860 -13.418 806 HD2 PRO 102 HD2 PRO 102 3.669 27.714 -13.694 807 HD3 PRO 102 HD3 PRO 102 2.453 26.424 -13.879 808 H MET 103 H MET 103 2.288 31.293 -17.130 809 HA MET 103 HA MET 103 5.091 31.312 -17.572 810 HB2 MET 103 HB2 MET 103 3.402 32.352 -19.086 811 HB3 MET 103 HB3 MET 103 3.156 33.618 -17.884 812 HG2 MET 103 HG2 MET 103 5.608 34.141 -18.015 813 HG3 MET 103 HG3 MET 103 5.743 32.974 -19.331 814 HE1 MET 103 HE1 MET 103 3.922 34.314 -22.239 815 HE2 MET 103 HE2 MET 103 2.895 33.525 -21.046 816 HE3 MET 103 HE3 MET 103 4.531 32.929 -21.323 817 H ARG 104 H ARG 104 3.086 33.624 -15.704 818 HA ARG 104 HA ARG 104 5.192 33.819 -13.690 819 HB2 ARG 104 HB2 ARG 104 4.445 36.043 -15.559 820 HB3 ARG 104 HB3 ARG 104 4.920 36.423 -13.907 821 HG2 ARG 104 HG2 ARG 104 6.582 34.739 -15.806 822 HG3 ARG 104 HG3 ARG 104 6.832 36.461 -15.534 823 HD2 ARG 104 HD2 ARG 104 7.176 34.196 -13.568 824 HD3 ARG 104 HD3 ARG 104 8.364 35.394 -14.069 825 HE ARG 104 HE ARG 104 6.452 35.688 -11.965 826 HH11 ARG 104 HH21 ARG 104 8.109 37.379 -14.500 827 HH12 ARG 104 HH22 ARG 104 7.966 38.928 -13.741 828 HH21 ARG 104 HH11 ARG 104 6.262 37.719 -10.978 829 HH22 ARG 104 HH12 ARG 104 6.923 39.120 -11.751 830 H CYS 105 H CYS 105 4.446 34.385 -11.692 831 HA CYS 105 HA CYS 105 1.536 34.664 -11.400 832 HB2 CYS 105 HB2 CYS 105 3.780 33.935 -9.529 833 HB3 CYS 105 HB3 CYS 105 2.228 34.482 -8.890 834 HA PRO 106 HA PRO 106 2.547 39.056 -11.064 835 HB2 PRO 106 HB2 PRO 106 -0.077 39.911 -10.995 836 HB3 PRO 106 HB3 PRO 106 0.858 39.631 -12.473 837 HG2 PRO 106 HG2 PRO 106 -1.216 37.957 -11.207 838 HG3 PRO 106 HG3 PRO 106 -0.778 38.125 -12.914 839 HD2 PRO 106 HD2 PRO 106 -0.082 35.963 -11.326 840 HD3 PRO 106 HD3 PRO 106 0.770 36.440 -12.808 841 H MET 107 H MET 107 1.536 36.996 -8.808 842 HA MET 107 HA MET 107 0.435 38.782 -6.840 843 HB2 MET 107 HB2 MET 107 1.569 36.018 -6.797 844 HB3 MET 107 HB3 MET 107 0.997 36.804 -5.328 845 HG2 MET 107 HG2 MET 107 -0.754 35.358 -6.397 846 HG3 MET 107 HG3 MET 107 -1.237 37.049 -6.266 847 HE1 MET 107 HE1 MET 107 -3.129 36.923 -8.269 848 HE2 MET 107 HE2 MET 107 -2.399 37.922 -9.522 849 HE3 MET 107 HE3 MET 107 -2.114 38.303 -7.827 850 H GLY 108 H GLY 108 1.982 40.451 -6.843 851 HA2 GLY 108 HA2 GLY 108 3.645 41.555 -5.705 852 HA3 GLY 108 HA3 GLY 108 4.096 40.052 -4.925 853 H GLY 109 H GLY 109 3.841 40.274 -8.398 854 HA2 GLY 109 HA2 GLY 109 5.407 39.877 -10.049 855 HA3 GLY 109 HA3 GLY 109 6.341 41.103 -9.199 856 H SER 110 H SER 110 5.524 37.635 -8.985 857 HA SER 110 HA SER 110 7.536 36.807 -7.271 858 HB2 SER 110 HB2 SER 110 7.206 34.598 -8.155 859 HB3 SER 110 HB3 SER 110 5.644 35.411 -8.164 860 HG SER 110 HG SER 110 6.249 36.002 -10.408 861 H ILE 111 H ILE 111 9.577 35.804 -7.626 862 HA ILE 111 HA ILE 111 10.923 36.524 -10.160 863 HB ILE 111 HB ILE 111 12.063 36.863 -7.371 864 HG12 ILE 111 HG12 ILE 111 11.367 38.950 -9.468 865 HG13 ILE 111 HG13 ILE 111 10.361 38.581 -8.065 866 HG21 ILE 111 HG21 ILE 111 13.952 37.937 -8.645 867 HG22 ILE 111 HG22 ILE 111 13.210 37.357 -10.136 868 HG23 ILE 111 HG23 ILE 111 13.796 36.205 -8.937 869 HD11 ILE 111 HD11 ILE 111 13.177 39.695 -8.064 870 HD12 ILE 111 HD12 ILE 111 12.377 39.090 -6.613 871 HD13 ILE 111 HD13 ILE 111 11.712 40.480 -7.473 872 H ALA 112 H ALA 112 10.873 34.526 -7.256 873 HA ALA 112 HA ALA 112 12.901 32.693 -8.034 874 HB1 ALA 112 HB1 ALA 112 12.106 31.342 -6.213 875 HB2 ALA 112 HB2 ALA 112 10.547 32.168 -6.208 876 HB3 ALA 112 HB3 ALA 112 12.000 33.020 -5.684 877 H GLY 113 H GLY 113 11.688 30.201 -7.810 878 HA2 GLY 113 HA2 GLY 113 10.480 30.057 -10.405 879 HA3 GLY 113 HA3 GLY 113 10.691 28.694 -9.290 880 H PHE 114 H PHE 114 8.659 31.211 -10.385 881 HA PHE 114 HA PHE 114 6.756 31.690 -8.555 882 HB2 PHE 114 HB2 PHE 114 5.071 31.574 -10.522 883 HB3 PHE 114 HB3 PHE 114 6.429 32.696 -10.649 884 HD1 PHE 114 HD1 PHE 114 5.018 29.503 -11.842 885 HD2 PHE 114 HD2 PHE 114 8.293 32.265 -12.165 886 HE1 PHE 114 HE1 PHE 114 5.779 28.361 -13.907 887 HE2 PHE 114 HE2 PHE 114 9.051 31.124 -14.230 888 HZ PHE 114 HZ PHE 114 7.795 29.171 -15.101 Start of MODEL 7 1 H1 GLU 1 H1 GLU 1 2.646 45.527 -7.877 2 H2 GLU 1 H2 GLU 1 2.715 44.946 -6.282 3 H3 GLU 1 H3 GLU 1 1.775 46.313 -6.653 4 HA GLU 1 HA GLU 1 1.284 43.530 -7.561 5 HB2 GLU 1 HB2 GLU 1 0.696 43.998 -5.194 6 HB3 GLU 1 HB3 GLU 1 -0.287 45.364 -5.720 7 HG2 GLU 1 HG2 GLU 1 -1.757 43.468 -5.395 8 HG3 GLU 1 HG3 GLU 1 -1.639 43.780 -7.124 9 H ALA 2 H ALA 2 0.012 43.329 -9.314 10 HA ALA 2 HA ALA 2 -0.622 45.610 -10.909 11 HB1 ALA 2 HB1 ALA 2 -0.104 43.436 -11.919 12 HB2 ALA 2 HB2 ALA 2 -1.712 43.974 -12.403 13 HB3 ALA 2 HB3 ALA 2 -1.534 42.732 -11.164 14 H GLU 3 H GLU 3 -2.513 46.680 -11.189 15 HA GLU 3 HA GLU 3 -4.452 46.665 -9.137 16 HB2 GLU 3 HB2 GLU 3 -5.615 48.306 -10.425 17 HB3 GLU 3 HB3 GLU 3 -3.896 48.596 -10.676 18 HG2 GLU 3 HG2 GLU 3 -5.719 47.060 -12.559 19 HG3 GLU 3 HG3 GLU 3 -5.140 48.705 -12.809 20 H ALA 4 H ALA 4 -4.123 44.783 -12.007 21 HA ALA 4 HA ALA 4 -6.844 44.114 -12.422 22 HB1 ALA 4 HB1 ALA 4 -5.144 43.750 -14.152 23 HB2 ALA 4 HB2 ALA 4 -5.963 42.237 -13.761 24 HB3 ALA 4 HB3 ALA 4 -4.348 42.556 -13.127 25 H GLN 5 H GLN 5 -4.798 43.377 -9.906 26 HA GLN 5 HA GLN 5 -5.316 40.751 -9.199 27 HB2 GLN 5 HB2 GLN 5 -3.782 42.209 -7.975 28 HB3 GLN 5 HB3 GLN 5 -5.140 43.200 -7.440 29 HG2 GLN 5 HG2 GLN 5 -6.094 41.218 -6.272 30 HG3 GLN 5 HG3 GLN 5 -4.699 40.269 -6.778 31 HE21 GLN 5 HE21 GLN 5 -5.772 42.832 -4.590 32 HE22 GLN 5 HE22 GLN 5 -4.349 42.877 -3.666 33 H GLU 6 H GLU 6 -7.313 43.636 -8.771 34 HA GLU 6 HA GLU 6 -9.305 42.638 -7.109 35 HB2 GLU 6 HB2 GLU 6 -10.695 44.424 -7.933 36 HB3 GLU 6 HB3 GLU 6 -9.037 45.019 -7.852 37 HG2 GLU 6 HG2 GLU 6 -8.799 44.418 -10.298 38 HG3 GLU 6 HG3 GLU 6 -10.529 44.089 -10.320 39 H GLU 7 H GLU 7 -8.907 42.266 -10.605 40 HA GLU 7 HA GLU 7 -11.405 41.221 -11.273 41 HB2 GLU 7 HB2 GLU 7 -9.376 41.803 -12.791 42 HB3 GLU 7 HB3 GLU 7 -8.840 40.160 -12.453 43 HG2 GLU 7 HG2 GLU 7 -11.523 40.931 -13.647 44 HG3 GLU 7 HG3 GLU 7 -10.162 40.253 -14.537 45 H CYS 8 H CYS 8 -8.484 39.660 -10.046 46 HA CYS 8 HA CYS 8 -9.467 37.028 -10.113 47 HB2 CYS 8 HB2 CYS 8 -7.378 38.175 -8.256 48 HB3 CYS 8 HB3 CYS 8 -7.588 36.475 -8.680 49 H ARG 9 H ARG 9 -9.307 39.405 -7.460 50 HA ARG 9 HA ARG 9 -10.466 37.822 -5.461 51 HB2 ARG 9 HB2 ARG 9 -9.387 40.041 -5.086 52 HB3 ARG 9 HB3 ARG 9 -10.792 40.812 -5.823 53 HG2 ARG 9 HG2 ARG 9 -12.250 39.784 -4.103 54 HG3 ARG 9 HG3 ARG 9 -10.832 39.048 -3.354 55 HD2 ARG 9 HD2 ARG 9 -9.872 41.338 -3.040 56 HD3 ARG 9 HD3 ARG 9 -11.371 42.015 -3.668 57 HE ARG 9 HE ARG 9 -12.381 41.548 -1.629 58 HH11 ARG 9 HH21 ARG 9 -9.393 39.815 -1.946 59 HH12 ARG 9 HH22 ARG 9 -9.395 39.248 -0.310 60 HH21 ARG 9 HH11 ARG 9 -12.380 40.804 0.512 61 HH22 ARG 9 HH12 ARG 9 -11.083 39.807 1.079 62 H GLU 10 H GLU 10 -11.968 40.023 -7.810 63 HA GLU 10 HA GLU 10 -14.647 39.653 -6.999 64 HB2 GLU 10 HB2 GLU 10 -14.097 41.502 -8.428 65 HB3 GLU 10 HB3 GLU 10 -13.423 40.431 -9.655 66 HG2 GLU 10 HG2 GLU 10 -16.268 39.997 -8.831 67 HG3 GLU 10 HG3 GLU 10 -15.909 41.386 -9.854 68 H GLN 11 H GLN 11 -12.687 38.073 -9.491 69 HA GLN 11 HA GLN 11 -14.627 36.336 -10.519 70 HB2 GLN 11 HB2 GLN 11 -12.325 36.841 -11.466 71 HB3 GLN 11 HB3 GLN 11 -11.682 35.703 -10.284 72 HG2 GLN 11 HG2 GLN 11 -13.087 33.917 -11.202 73 HG3 GLN 11 HG3 GLN 11 -13.816 35.047 -12.340 74 HE21 GLN 11 HE21 GLN 11 -12.710 33.015 -13.658 75 HE22 GLN 11 HE22 GLN 11 -11.178 33.390 -14.287 76 H MET 12 H MET 12 -12.556 36.070 -7.684 77 HA MET 12 HA MET 12 -12.669 33.397 -7.092 78 HB2 MET 12 HB2 MET 12 -11.470 35.130 -5.755 79 HB3 MET 12 HB3 MET 12 -13.018 35.606 -5.057 80 HG2 MET 12 HG2 MET 12 -11.893 34.034 -3.557 81 HG3 MET 12 HG3 MET 12 -13.334 33.277 -4.233 82 HE1 MET 12 HE1 MET 12 -10.510 32.266 -2.890 83 HE2 MET 12 HE2 MET 12 -9.476 33.239 -3.933 84 HE3 MET 12 HE3 MET 12 -9.392 31.482 -4.014 85 H GLN 13 H GLN 13 -15.216 35.813 -6.435 86 HA GLN 13 HA GLN 13 -16.943 34.127 -4.990 87 HB2 GLN 13 HB2 GLN 13 -17.504 36.490 -6.788 88 HB3 GLN 13 HB3 GLN 13 -18.770 35.653 -5.898 89 HG2 GLN 13 HG2 GLN 13 -18.036 37.539 -4.568 90 HG3 GLN 13 HG3 GLN 13 -17.485 36.060 -3.784 91 HE21 GLN 13 HE21 GLN 13 -16.373 38.752 -5.868 92 HE22 GLN 13 HE22 GLN 13 -14.734 38.600 -5.452 93 H ARG 14 H ARG 14 -16.639 34.702 -8.468 94 HA ARG 14 HA ARG 14 -18.746 33.078 -9.353 95 HB2 ARG 14 HB2 ARG 14 -17.481 34.693 -10.793 96 HB3 ARG 14 HB3 ARG 14 -16.100 33.599 -10.743 97 HG2 ARG 14 HG2 ARG 14 -17.524 31.803 -11.722 98 HG3 ARG 14 HG3 ARG 14 -18.851 32.959 -11.847 99 HD2 ARG 14 HD2 ARG 14 -17.402 34.410 -13.269 100 HD3 ARG 14 HD3 ARG 14 -16.150 33.174 -13.206 101 HE ARG 14 HE ARG 14 -17.401 31.883 -14.698 102 HH11 ARG 14 HH21 ARG 14 -19.245 34.558 -13.484 103 HH12 ARG 14 HH22 ARG 14 -20.537 34.353 -14.618 104 HH21 ARG 14 HH11 ARG 14 -19.093 31.618 -16.181 105 HH22 ARG 14 HH12 ARG 14 -20.453 32.691 -16.142 106 H GLN 15 H GLN 15 -15.343 32.487 -8.647 107 HA GLN 15 HA GLN 15 -15.502 29.696 -9.260 108 HB2 GLN 15 HB2 GLN 15 -13.366 31.104 -7.644 109 HB3 GLN 15 HB3 GLN 15 -13.216 29.581 -8.514 110 HG2 GLN 15 HG2 GLN 15 -13.580 32.338 -9.710 111 HG3 GLN 15 HG3 GLN 15 -12.168 31.300 -9.846 112 HE21 GLN 15 HE21 GLN 15 -14.953 32.249 -11.490 113 HE22 GLN 15 HE22 GLN 15 -15.075 30.938 -12.560 114 H GLN 16 H GLN 16 -17.406 29.365 -7.954 115 HA GLN 16 HA GLN 16 -17.216 29.502 -5.079 116 HB2 GLN 16 HB2 GLN 16 -19.284 28.229 -6.885 117 HB3 GLN 16 HB3 GLN 16 -19.451 28.441 -5.139 118 HG2 GLN 16 HG2 GLN 16 -19.178 30.882 -5.418 119 HG3 GLN 16 HG3 GLN 16 -19.040 30.662 -7.160 120 HE21 GLN 16 HE21 GLN 16 -21.065 32.314 -6.333 121 HE22 GLN 16 HE22 GLN 16 -22.569 31.548 -6.490 122 H MET 17 H MET 17 -15.137 27.980 -6.230 123 HA MET 17 HA MET 17 -15.607 25.187 -6.112 124 HB2 MET 17 HB2 MET 17 -13.491 25.089 -6.835 125 HB3 MET 17 HB3 MET 17 -13.464 26.843 -6.771 126 HG2 MET 17 HG2 MET 17 -12.886 26.505 -4.247 127 HG3 MET 17 HG3 MET 17 -12.438 24.876 -4.750 128 HE1 MET 17 HE1 MET 17 -10.820 28.914 -5.761 129 HE2 MET 17 HE2 MET 17 -12.488 28.394 -5.543 130 HE3 MET 17 HE3 MET 17 -11.744 28.297 -7.136 131 H LEU 18 H LEU 18 -15.021 27.582 -3.675 132 HA LEU 18 HA LEU 18 -13.998 26.009 -1.614 133 HB2 LEU 18 HB2 LEU 18 -15.393 27.754 -0.167 134 HB3 LEU 18 HB3 LEU 18 -13.914 28.203 -1.008 135 HG LEU 18 HG LEU 18 -15.150 29.144 -2.852 136 HD11 LEU 18 HD11 LEU 18 -17.466 27.759 -1.524 137 HD12 LEU 18 HD12 LEU 18 -16.958 27.699 -3.210 138 HD13 LEU 18 HD13 LEU 18 -17.744 29.140 -2.581 139 HD21 LEU 18 HD21 LEU 18 -16.492 29.940 -0.248 140 HD22 LEU 18 HD22 LEU 18 -16.419 30.914 -1.716 141 HD23 LEU 18 HD23 LEU 18 -14.942 30.556 -0.822 142 H SER 19 H SER 19 -17.239 26.123 -2.911 143 HA SER 19 HA SER 19 -18.590 25.030 -0.646 144 HB2 SER 19 HB2 SER 19 -19.744 26.195 -2.524 145 HB3 SER 19 HB3 SER 19 -19.342 24.841 -3.576 146 HG SER 19 HG SER 19 -20.556 23.502 -2.226 147 H HIS 20 H HIS 20 -17.499 23.582 -3.711 148 HA HIS 20 HA HIS 20 -18.013 20.886 -2.982 149 HB2 HIS 20 HB2 HIS 20 -15.770 21.544 -4.849 150 HB3 HIS 20 HB3 HIS 20 -17.040 20.335 -5.007 151 HD2 HIS 20 HD2 HIS 20 -19.636 22.427 -4.745 152 HE1 HIS 20 HE1 HIS 20 -17.873 24.375 -8.049 153 HE2 HIS 20 HE2 HIS 20 -19.998 24.139 -6.680 154 H CYS 21 H CYS 21 -15.328 23.078 -2.695 155 HA CYS 21 HA CYS 21 -13.352 21.302 -1.798 156 HB2 CYS 21 HB2 CYS 21 -13.834 24.250 -1.672 157 HB3 CYS 21 HB3 CYS 21 -12.534 23.565 -0.687 158 H ARG 22 H ARG 22 -15.765 23.252 -0.040 159 HA ARG 22 HA ARG 22 -14.960 22.590 2.576 160 HB2 ARG 22 HB2 ARG 22 -16.670 24.340 1.965 161 HB3 ARG 22 HB3 ARG 22 -17.808 23.034 1.635 162 HG2 ARG 22 HG2 ARG 22 -18.212 23.768 3.893 163 HG3 ARG 22 HG3 ARG 22 -17.398 22.207 3.994 164 HD2 ARG 22 HD2 ARG 22 -15.456 24.357 3.870 165 HD3 ARG 22 HD3 ARG 22 -16.586 24.621 5.195 166 HE ARG 22 HE ARG 22 -15.795 21.938 5.297 167 HH11 ARG 22 HH21 ARG 22 -14.424 25.108 5.582 168 HH12 ARG 22 HH22 ARG 22 -13.175 24.616 6.676 169 HH21 ARG 22 HH11 ARG 22 -14.162 21.295 6.730 170 HH22 ARG 22 HH12 ARG 22 -13.027 22.459 7.325 171 H MET 23 H MET 23 -17.212 21.030 0.318 172 HA MET 23 HA MET 23 -18.046 18.915 1.966 173 HB2 MET 23 HB2 MET 23 -18.942 19.514 -0.343 174 HB3 MET 23 HB3 MET 23 -17.531 18.694 -1.010 175 HG2 MET 23 HG2 MET 23 -19.233 17.039 -0.974 176 HG3 MET 23 HG3 MET 23 -18.225 16.679 0.427 177 HE1 MET 23 HE1 MET 23 -19.757 15.630 2.325 178 HE2 MET 23 HE2 MET 23 -20.344 15.217 0.717 179 HE3 MET 23 HE3 MET 23 -21.490 15.680 1.972 180 H TYR 24 H TYR 24 -15.260 19.249 -0.208 181 HA TYR 24 HA TYR 24 -14.134 16.717 0.097 182 HB2 TYR 24 HB2 TYR 24 -12.997 17.903 -1.506 183 HB3 TYR 24 HB3 TYR 24 -13.086 19.415 -0.612 184 HD1 TYR 24 HD2 TYR 24 -11.520 16.016 -0.422 185 HD2 TYR 24 HD1 TYR 24 -11.187 20.191 0.528 186 HE1 TYR 24 HE2 TYR 24 -9.233 15.632 0.452 187 HE2 TYR 24 HE1 TYR 24 -8.897 19.807 1.401 188 HH TYR 24 HH TYR 24 -7.056 18.112 1.045 189 H MET 25 H MET 25 -13.874 19.602 2.149 190 HA MET 25 HA MET 25 -11.908 18.693 3.934 191 HB2 MET 25 HB2 MET 25 -14.313 20.434 4.505 192 HB3 MET 25 HB3 MET 25 -12.896 20.281 5.538 193 HG2 MET 25 HG2 MET 25 -12.676 21.130 2.647 194 HG3 MET 25 HG3 MET 25 -12.935 22.294 3.943 195 HE1 MET 25 HE1 MET 25 -11.422 22.943 5.688 196 HE2 MET 25 HE2 MET 25 -9.877 22.209 6.107 197 HE3 MET 25 HE3 MET 25 -11.369 21.322 6.395 198 H ARG 26 H ARG 26 -15.458 18.309 4.027 199 HA ARG 26 HA ARG 26 -15.577 16.918 6.483 200 HB2 ARG 26 HB2 ARG 26 -17.546 17.853 5.242 201 HB3 ARG 26 HB3 ARG 26 -17.395 16.523 4.093 202 HG2 ARG 26 HG2 ARG 26 -17.624 14.917 6.007 203 HG3 ARG 26 HG3 ARG 26 -17.932 16.289 7.069 204 HD2 ARG 26 HD2 ARG 26 -19.577 15.536 4.637 205 HD3 ARG 26 HD3 ARG 26 -20.045 15.270 6.314 206 HE ARG 26 HE ARG 26 -19.533 17.970 6.153 207 HH11 ARG 26 HH21 ARG 26 -21.557 15.697 4.497 208 HH12 ARG 26 HH22 ARG 26 -22.794 16.854 4.138 209 HH21 ARG 26 HH11 ARG 26 -21.152 19.486 5.683 210 HH22 ARG 26 HH12 ARG 26 -22.565 18.996 4.810 211 H GLN 27 H GLN 27 -15.435 15.702 3.153 212 HA GLN 27 HA GLN 27 -15.285 12.954 3.780 213 HB2 GLN 27 HB2 GLN 27 -14.748 14.626 1.384 214 HB3 GLN 27 HB3 GLN 27 -13.920 13.072 1.446 215 HG2 GLN 27 HG2 GLN 27 -15.991 12.613 0.380 216 HG3 GLN 27 HG3 GLN 27 -16.199 12.051 2.036 217 HE21 GLN 27 HE21 GLN 27 -16.127 15.396 2.175 218 HE22 GLN 27 HE22 GLN 27 -17.810 15.692 2.098 219 H GLN 28 H GLN 28 -12.961 15.535 3.642 220 HA GLN 28 HA GLN 28 -10.616 14.011 3.574 221 HB2 GLN 28 HB2 GLN 28 -10.359 16.262 3.088 222 HB3 GLN 28 HB3 GLN 28 -11.347 16.772 4.445 223 HG2 GLN 28 HG2 GLN 28 -8.743 15.322 4.910 224 HG3 GLN 28 HG3 GLN 28 -8.746 17.053 4.593 225 HE21 GLN 28 HE21 GLN 28 -8.156 15.462 7.146 226 HE22 GLN 28 HE22 GLN 28 -9.164 16.164 8.316 227 H MET 29 H MET 29 -12.676 15.113 6.243 228 HA MET 29 HA MET 29 -10.982 14.218 8.344 229 HB2 MET 29 HB2 MET 29 -13.995 14.529 8.233 230 HB3 MET 29 HB3 MET 29 -13.090 14.183 9.704 231 HG2 MET 29 HG2 MET 29 -11.732 16.276 9.233 232 HG3 MET 29 HG3 MET 29 -12.898 16.652 7.967 233 HE1 MET 29 HE1 MET 29 -16.086 17.317 9.351 234 HE2 MET 29 HE2 MET 29 -15.913 15.625 9.810 235 HE3 MET 29 HE3 MET 29 -15.237 16.189 8.286 236 H GLU 30 H GLU 30 -13.812 12.711 6.753 237 HA GLU 30 HA GLU 30 -13.527 10.192 8.066 238 HB2 GLU 30 HB2 GLU 30 -14.907 10.965 5.486 239 HB3 GLU 30 HB3 GLU 30 -14.982 9.348 6.185 240 HG2 GLU 30 HG2 GLU 30 -16.863 10.244 7.167 241 HG3 GLU 30 HG3 GLU 30 -15.669 10.731 8.368 242 H GLU 31 H GLU 31 -12.170 11.583 5.184 243 HA GLU 31 HA GLU 31 -11.187 9.275 3.918 244 HB2 GLU 31 HB2 GLU 31 -11.414 11.442 2.802 245 HB3 GLU 31 HB3 GLU 31 -10.152 12.114 3.830 246 HG2 GLU 31 HG2 GLU 31 -8.535 10.552 2.906 247 HG3 GLU 31 HG3 GLU 31 -9.779 9.787 1.930 248 H SER 32 H SER 32 -10.284 10.465 6.894 249 HA SER 32 HA SER 32 -7.543 10.398 7.039 250 HB2 SER 32 HB2 SER 32 -7.808 9.678 9.368 251 HB3 SER 32 HB3 SER 32 -9.011 10.896 8.955 252 HG SER 32 HG SER 32 -9.437 8.090 8.836 253 H THR 33 H THR 33 -9.702 7.790 6.380 254 HA THR 33 HA THR 33 -7.859 5.672 7.017 255 HB THR 33 HB THR 33 -9.545 4.224 5.934 256 HG1 THR 33 HG1 THR 33 -10.417 6.716 5.077 257 HG21 THR 33 HG21 THR 33 -11.324 4.642 7.541 258 HG22 THR 33 HG22 THR 33 -10.775 6.303 7.764 259 HG23 THR 33 HG23 THR 33 -9.770 4.961 8.310 260 H TYR 34 H TYR 34 -9.276 6.729 3.909 261 HA TYR 34 HA TYR 34 -7.093 5.418 2.469 262 HB2 TYR 34 HB2 TYR 34 -8.494 5.425 0.552 263 HB3 TYR 34 HB3 TYR 34 -9.486 4.939 1.923 264 HD1 TYR 34 HD2 TYR 34 -11.111 6.533 2.929 265 HD2 TYR 34 HD1 TYR 34 -8.883 7.506 -0.614 266 HE1 TYR 34 HE2 TYR 34 -12.689 8.383 2.444 267 HE2 TYR 34 HE1 TYR 34 -10.462 9.355 -1.098 268 HH TYR 34 HH TYR 34 -12.276 10.786 0.877 269 H GLN 35 H GLN 35 -7.277 8.436 3.633 270 HA GLN 35 HA GLN 35 -7.118 10.381 1.828 271 HB2 GLN 35 HB2 GLN 35 -5.408 11.510 3.042 272 HB3 GLN 35 HB3 GLN 35 -6.398 10.631 4.208 273 HG2 GLN 35 HG2 GLN 35 -3.794 9.576 3.056 274 HG3 GLN 35 HG3 GLN 35 -3.914 10.423 4.594 275 HE21 GLN 35 HE21 GLN 35 -6.671 9.098 4.981 276 HE22 GLN 35 HE22 GLN 35 -6.292 7.536 5.517 277 H THR 36 H THR 36 -4.788 7.729 1.838 278 HA THR 36 HA THR 36 -2.843 8.934 0.200 279 HB THR 36 HB THR 36 -2.416 6.551 -0.593 280 HG1 THR 36 HG1 THR 36 -4.628 6.157 1.127 281 HG21 THR 36 HG21 THR 36 -1.643 5.797 1.629 282 HG22 THR 36 HG22 THR 36 -2.642 7.033 2.393 283 HG23 THR 36 HG23 THR 36 -1.281 7.504 1.373 284 H MET 37 H MET 37 -3.415 10.062 -1.539 285 HA MET 37 HA MET 37 -5.706 9.730 -3.094 286 HB2 MET 37 HB2 MET 37 -3.044 10.974 -3.802 287 HB3 MET 37 HB3 MET 37 -4.498 11.125 -4.786 288 HG2 MET 37 HG2 MET 37 -4.975 11.747 -1.961 289 HG3 MET 37 HG3 MET 37 -3.787 12.814 -2.706 290 HE1 MET 37 HE1 MET 37 -5.719 15.315 -4.437 291 HE2 MET 37 HE2 MET 37 -4.153 14.515 -4.341 292 HE3 MET 37 HE3 MET 37 -4.959 15.036 -2.864 293 HA PRO 38 HA PRO 38 -4.250 6.227 -5.531 294 HB2 PRO 38 HB2 PRO 38 -6.655 5.157 -6.020 295 HB3 PRO 38 HB3 PRO 38 -5.953 5.097 -4.390 296 HG2 PRO 38 HG2 PRO 38 -8.114 6.824 -5.454 297 HG3 PRO 38 HG3 PRO 38 -7.899 6.149 -3.831 298 HD2 PRO 38 HD2 PRO 38 -7.222 8.784 -4.673 299 HD3 PRO 38 HD3 PRO 38 -6.800 8.022 -3.123 300 H ARG 39 H ARG 39 -3.994 6.018 -7.741 301 HA ARG 39 HA ARG 39 -4.728 8.134 -9.478 302 HB2 ARG 39 HB2 ARG 39 -4.015 5.313 -10.286 303 HB3 ARG 39 HB3 ARG 39 -3.849 6.771 -11.258 304 HG2 ARG 39 HG2 ARG 39 -2.219 7.671 -9.598 305 HG3 ARG 39 HG3 ARG 39 -2.314 6.144 -8.719 306 HD2 ARG 39 HD2 ARG 39 -1.626 4.981 -10.859 307 HD3 ARG 39 HD3 ARG 39 -1.321 6.572 -11.547 308 HE ARG 39 HE ARG 39 0.614 6.704 -10.263 309 HH11 ARG 39 HH21 ARG 39 -1.447 4.153 -9.136 310 HH12 ARG 39 HH22 ARG 39 -0.273 3.509 -8.036 311 HH21 ARG 39 HH11 ARG 39 2.148 5.860 -8.823 312 HH22 ARG 39 HH12 ARG 39 1.759 4.475 -7.860 313 H ARG 40 H ARG 40 -6.080 4.949 -8.820 314 HA ARG 40 HA ARG 40 -7.957 4.924 -10.929 315 HB2 ARG 40 HB2 ARG 40 -7.955 3.482 -8.273 316 HB3 ARG 40 HB3 ARG 40 -9.077 3.143 -9.592 317 HG2 ARG 40 HG2 ARG 40 -6.072 3.072 -9.925 318 HG3 ARG 40 HG3 ARG 40 -7.029 1.649 -9.521 319 HD2 ARG 40 HD2 ARG 40 -8.386 2.021 -11.580 320 HD3 ARG 40 HD3 ARG 40 -7.336 3.370 -11.998 321 HE ARG 40 HE ARG 40 -6.730 0.567 -12.292 322 HH11 ARG 40 HH21 ARG 40 -5.435 3.744 -11.784 323 HH12 ARG 40 HH22 ARG 40 -3.885 3.366 -12.459 324 HH21 ARG 40 HH11 ARG 40 -4.700 0.075 -13.176 325 HH22 ARG 40 HH12 ARG 40 -3.470 1.292 -13.247 326 H GLY 41 H GLY 41 -9.173 6.612 -11.147 327 HA2 GLY 41 HA2 GLY 41 -10.814 8.197 -10.772 328 HA3 GLY 41 HA3 GLY 41 -11.580 6.926 -9.825 329 H MET 42 H MET 42 -9.431 9.709 -9.695 330 HA MET 42 HA MET 42 -8.839 9.758 -6.958 331 HB2 MET 42 HB2 MET 42 -9.249 12.051 -8.893 332 HB3 MET 42 HB3 MET 42 -8.543 12.215 -7.286 333 HG2 MET 42 HG2 MET 42 -6.786 10.562 -7.927 334 HG3 MET 42 HG3 MET 42 -7.462 10.520 -9.557 335 HE1 MET 42 HE1 MET 42 -4.497 11.106 -9.107 336 HE2 MET 42 HE2 MET 42 -4.226 12.479 -10.176 337 HE3 MET 42 HE3 MET 42 -5.283 11.169 -10.691 338 H GLU 43 H GLU 43 -9.709 11.761 -5.584 339 HA GLU 43 HA GLU 43 -12.393 11.110 -4.893 340 HB2 GLU 43 HB2 GLU 43 -10.518 12.029 -3.383 341 HB3 GLU 43 HB3 GLU 43 -10.970 13.614 -4.011 342 HG2 GLU 43 HG2 GLU 43 -13.141 13.496 -3.098 343 HG3 GLU 43 HG3 GLU 43 -13.058 11.747 -2.894 344 HA PRO 44 HA PRO 44 -14.403 13.640 -7.987 345 HB2 PRO 44 HB2 PRO 44 -16.740 13.375 -6.178 346 HB3 PRO 44 HB3 PRO 44 -16.580 12.934 -7.887 347 HG2 PRO 44 HG2 PRO 44 -16.662 11.099 -5.940 348 HG3 PRO 44 HG3 PRO 44 -15.705 10.877 -7.415 349 HD2 PRO 44 HD2 PRO 44 -14.782 11.559 -4.654 350 HD3 PRO 44 HD3 PRO 44 -13.973 10.604 -5.917 351 H HIS 45 H HIS 45 -14.800 14.254 -4.507 352 HA HIS 45 HA HIS 45 -15.877 16.819 -4.583 353 HB2 HIS 45 HB2 HIS 45 -13.835 15.723 -2.629 354 HB3 HIS 45 HB3 HIS 45 -14.844 17.145 -2.368 355 HD2 HIS 45 HD2 HIS 45 -15.052 13.354 -1.862 356 HE1 HIS 45 HE1 HIS 45 -19.013 14.789 -1.606 357 HE2 HIS 45 HE2 HIS 45 -17.515 12.778 -1.215 358 H MET 46 H MET 46 -12.485 15.799 -4.728 359 HA MET 46 HA MET 46 -11.346 18.393 -4.849 360 HB2 MET 46 HB2 MET 46 -10.314 15.747 -5.910 361 HB3 MET 46 HB3 MET 46 -9.351 17.211 -5.725 362 HG2 MET 46 HG2 MET 46 -9.799 17.206 -3.298 363 HG3 MET 46 HG3 MET 46 -10.766 15.742 -3.479 364 HE1 MET 46 HE1 MET 46 -8.091 13.899 -1.843 365 HE2 MET 46 HE2 MET 46 -9.600 14.802 -1.730 366 HE3 MET 46 HE3 MET 46 -8.069 15.615 -1.415 367 H SER 47 H SER 47 -12.428 16.098 -7.309 368 HA SER 47 HA SER 47 -11.496 17.392 -9.602 369 HB2 SER 47 HB2 SER 47 -14.066 15.821 -9.358 370 HB3 SER 47 HB3 SER 47 -13.119 16.086 -10.819 371 HG SER 47 HG SER 47 -12.329 14.684 -8.476 372 H GLU 48 H GLU 48 -14.485 17.897 -7.759 373 HA GLU 48 HA GLU 48 -15.727 19.641 -9.606 374 HB2 GLU 48 HB2 GLU 48 -16.026 19.403 -6.604 375 HB3 GLU 48 HB3 GLU 48 -17.079 20.376 -7.634 376 HG2 GLU 48 HG2 GLU 48 -17.624 18.336 -8.954 377 HG3 GLU 48 HG3 GLU 48 -16.639 17.382 -7.852 378 H CYS 49 H CYS 49 -13.527 20.239 -6.885 379 HA CYS 49 HA CYS 49 -13.639 23.083 -7.056 380 HB2 CYS 49 HB2 CYS 49 -11.759 21.126 -5.762 381 HB3 CYS 49 HB3 CYS 49 -11.357 22.841 -5.818 382 H CYS 50 H CYS 50 -11.648 20.604 -8.557 383 HA CYS 50 HA CYS 50 -9.551 22.064 -9.610 384 HB2 CYS 50 HB2 CYS 50 -9.778 19.605 -9.756 385 HB3 CYS 50 HB3 CYS 50 -11.031 19.815 -10.982 386 H GLU 51 H GLU 51 -12.777 21.596 -11.032 387 HA GLU 51 HA GLU 51 -12.333 22.809 -13.496 388 HB2 GLU 51 HB2 GLU 51 -14.385 21.553 -12.863 389 HB3 GLU 51 HB3 GLU 51 -14.879 22.920 -11.864 390 HG2 GLU 51 HG2 GLU 51 -15.990 23.107 -14.012 391 HG3 GLU 51 HG3 GLU 51 -14.780 24.380 -13.900 392 H GLN 52 H GLN 52 -13.075 24.282 -10.373 393 HA GLN 52 HA GLN 52 -13.669 26.869 -11.259 394 HB2 GLN 52 HB2 GLN 52 -13.304 25.570 -8.781 395 HB3 GLN 52 HB3 GLN 52 -12.245 26.983 -8.772 396 HG2 GLN 52 HG2 GLN 52 -14.306 27.845 -8.014 397 HG3 GLN 52 HG3 GLN 52 -14.274 28.257 -9.722 398 HE21 GLN 52 HE21 GLN 52 -16.419 28.038 -10.421 399 HE22 GLN 52 HE22 GLN 52 -17.384 26.673 -10.135 400 H LEU 53 H LEU 53 -10.530 25.801 -9.884 401 HA LEU 53 HA LEU 53 -9.056 28.098 -10.528 402 HB2 LEU 53 HB2 LEU 53 -7.839 25.354 -10.756 403 HB3 LEU 53 HB3 LEU 53 -7.109 26.824 -10.145 404 HG LEU 53 HG LEU 53 -7.513 25.761 -8.144 405 HD11 LEU 53 HD11 LEU 53 -10.376 26.521 -8.209 406 HD12 LEU 53 HD12 LEU 53 -9.249 27.816 -8.611 407 HD13 LEU 53 HD13 LEU 53 -9.113 26.979 -7.070 408 HD21 LEU 53 HD21 LEU 53 -9.695 24.319 -7.937 409 HD22 LEU 53 HD22 LEU 53 -8.329 23.692 -8.856 410 HD23 LEU 53 HD23 LEU 53 -9.701 24.406 -9.698 411 H GLU 54 H GLU 54 -9.374 25.065 -12.218 412 HA GLU 54 HA GLU 54 -7.896 25.567 -14.488 413 HB2 GLU 54 HB2 GLU 54 -8.668 23.390 -13.853 414 HB3 GLU 54 HB3 GLU 54 -10.352 23.865 -14.035 415 HG2 GLU 54 HG2 GLU 54 -9.699 22.635 -16.028 416 HG3 GLU 54 HG3 GLU 54 -9.874 24.328 -16.477 417 H GLY 55 H GLY 55 -11.106 26.647 -13.628 418 HA2 GLY 55 HA2 GLY 55 -11.593 27.714 -16.326 419 HA3 GLY 55 HA3 GLY 55 -12.764 27.641 -15.010 420 H MET 56 H MET 56 -10.241 28.681 -13.379 421 HA MET 56 HA MET 56 -11.031 31.476 -13.540 422 HB2 MET 56 HB2 MET 56 -10.787 30.627 -11.324 423 HB3 MET 56 HB3 MET 56 -9.208 29.935 -11.689 424 HG2 MET 56 HG2 MET 56 -8.265 32.179 -11.989 425 HG3 MET 56 HG3 MET 56 -9.842 32.905 -11.692 426 HE1 MET 56 HE1 MET 56 -10.871 32.334 -8.392 427 HE2 MET 56 HE2 MET 56 -11.009 33.081 -9.981 428 HE3 MET 56 HE3 MET 56 -10.070 33.876 -8.720 429 H ASP 57 H ASP 57 -9.605 33.216 -13.924 430 HA ASP 57 HA ASP 57 -7.875 33.001 -16.080 431 HB2 ASP 57 HB2 ASP 57 -7.849 35.038 -13.841 432 HB3 ASP 57 HB3 ASP 57 -6.990 35.215 -15.368 433 H GLU 58 H GLU 58 -5.663 32.815 -16.326 434 HA GLU 58 HA GLU 58 -4.278 31.052 -14.696 435 HB2 GLU 58 HB2 GLU 58 -3.590 31.476 -16.974 436 HB3 GLU 58 HB3 GLU 58 -3.213 33.155 -16.586 437 HG2 GLU 58 HG2 GLU 58 -1.121 32.073 -16.492 438 HG3 GLU 58 HG3 GLU 58 -1.614 32.202 -14.808 439 H SER 59 H SER 59 -3.640 34.562 -14.948 440 HA SER 59 HA SER 59 -1.774 34.720 -12.877 441 HB2 SER 59 HB2 SER 59 -3.749 36.851 -13.727 442 HB3 SER 59 HB3 SER 59 -2.247 37.115 -12.845 443 HG SER 59 HG SER 59 -2.429 35.880 -15.397 444 H CYS 60 H CYS 60 -5.243 34.675 -12.836 445 HA CYS 60 HA CYS 60 -5.547 35.501 -10.100 446 HB2 CYS 60 HB2 CYS 60 -7.454 34.126 -11.997 447 HB3 CYS 60 HB3 CYS 60 -7.893 34.702 -10.390 448 H ARG 61 H ARG 61 -4.902 32.506 -11.697 449 HA ARG 61 HA ARG 61 -5.877 30.686 -9.798 450 HB2 ARG 61 HB2 ARG 61 -5.024 30.150 -12.108 451 HB3 ARG 61 HB3 ARG 61 -3.388 30.347 -11.481 452 HG2 ARG 61 HG2 ARG 61 -3.897 28.598 -9.755 453 HG3 ARG 61 HG3 ARG 61 -5.456 28.338 -10.540 454 HD2 ARG 61 HD2 ARG 61 -2.719 27.955 -11.783 455 HD3 ARG 61 HD3 ARG 61 -3.877 26.690 -11.382 456 HE ARG 61 HE ARG 61 -4.006 28.516 -13.656 457 HH11 ARG 61 HH21 ARG 61 -5.589 26.171 -11.650 458 HH12 ARG 61 HH22 ARG 61 -6.811 25.803 -12.820 459 HH21 ARG 61 HH11 ARG 61 -5.604 28.037 -15.179 460 HH22 ARG 61 HH12 ARG 61 -6.821 26.861 -14.816 461 H CYS 62 H CYS 62 -2.766 32.400 -9.994 462 HA CYS 62 HA CYS 62 -1.420 31.071 -7.921 463 HB2 CYS 62 HB2 CYS 62 -1.209 34.023 -8.569 464 HB3 CYS 62 HB3 CYS 62 0.016 33.010 -7.810 465 H GLU 63 H GLU 63 -3.139 34.187 -7.747 466 HA GLU 63 HA GLU 63 -3.108 34.450 -4.948 467 HB2 GLU 63 HB2 GLU 63 -3.584 36.287 -6.553 468 HB3 GLU 63 HB3 GLU 63 -5.150 35.552 -6.892 469 HG2 GLU 63 HG2 GLU 63 -5.727 35.748 -4.473 470 HG3 GLU 63 HG3 GLU 63 -4.193 36.568 -4.197 471 H GLY 64 H GLY 64 -5.430 32.925 -7.119 472 HA2 GLY 64 HA2 GLY 64 -7.621 32.589 -5.497 473 HA3 GLY 64 HA3 GLY 64 -7.133 31.433 -6.726 474 H LEU 65 H LEU 65 -5.097 30.079 -5.903 475 HA LEU 65 HA LEU 65 -6.031 28.387 -3.898 476 HB2 LEU 65 HB2 LEU 65 -3.196 28.780 -4.872 477 HB3 LEU 65 HB3 LEU 65 -3.755 27.412 -3.904 478 HG LEU 65 HG LEU 65 -4.778 28.189 -6.655 479 HD11 LEU 65 HD11 LEU 65 -2.530 27.107 -6.597 480 HD12 LEU 65 HD12 LEU 65 -3.746 26.098 -7.377 481 HD13 LEU 65 HD13 LEU 65 -3.236 25.747 -5.726 482 HD21 LEU 65 HD21 LEU 65 -5.647 26.114 -4.635 483 HD22 LEU 65 HD22 LEU 65 -5.937 25.882 -6.359 484 HD23 LEU 65 HD23 LEU 65 -6.644 27.265 -5.527 485 H ARG 66 H ARG 66 -3.547 30.946 -3.632 486 HA ARG 66 HA ARG 66 -2.904 30.522 -0.936 487 HB2 ARG 66 HB2 ARG 66 -2.943 33.104 -2.517 488 HB3 ARG 66 HB3 ARG 66 -2.176 32.904 -0.941 489 HG2 ARG 66 HG2 ARG 66 -0.787 31.052 -1.931 490 HG3 ARG 66 HG3 ARG 66 -1.460 31.461 -3.509 491 HD2 ARG 66 HD2 ARG 66 -0.653 33.853 -3.067 492 HD3 ARG 66 HD3 ARG 66 0.264 33.184 -1.723 493 HE ARG 66 HE ARG 66 1.633 32.018 -3.278 494 HH11 ARG 66 HH21 ARG 66 -0.872 33.903 -4.760 495 HH12 ARG 66 HH22 ARG 66 -0.142 33.882 -6.329 496 HH21 ARG 66 HH11 ARG 66 2.582 31.984 -5.339 497 HH22 ARG 66 HH12 ARG 66 1.806 32.793 -6.658 498 H MET 67 H MET 67 -5.287 32.737 -2.369 499 HA MET 67 HA MET 67 -6.330 33.765 0.034 500 HB2 MET 67 HB2 MET 67 -6.833 34.933 -1.963 501 HB3 MET 67 HB3 MET 67 -7.454 33.484 -2.751 502 HG2 MET 67 HG2 MET 67 -9.353 33.418 -1.207 503 HG3 MET 67 HG3 MET 67 -8.722 34.821 -0.341 504 HE1 MET 67 HE1 MET 67 -9.104 37.767 -2.591 505 HE2 MET 67 HE2 MET 67 -7.660 36.774 -2.770 506 HE3 MET 67 HE3 MET 67 -8.371 37.004 -1.174 507 H MET 68 H MET 68 -7.540 31.155 -2.050 508 HA MET 68 HA MET 68 -9.755 30.450 -0.493 509 HB2 MET 68 HB2 MET 68 -9.587 29.741 -2.771 510 HB3 MET 68 HB3 MET 68 -8.096 28.860 -2.446 511 HG2 MET 68 HG2 MET 68 -9.187 27.088 -1.509 512 HG3 MET 68 HG3 MET 68 -10.424 28.108 -0.766 513 HE1 MET 68 HE1 MET 68 -11.566 29.789 -3.563 514 HE2 MET 68 HE2 MET 68 -12.009 29.391 -1.906 515 HE3 MET 68 HE3 MET 68 -13.004 28.811 -3.239 516 H MET 69 H MET 69 -6.400 29.280 -0.366 517 HA MET 69 HA MET 69 -6.664 27.072 1.255 518 HB2 MET 69 HB2 MET 69 -4.515 27.913 0.318 519 HB3 MET 69 HB3 MET 69 -4.516 29.188 1.534 520 HG2 MET 69 HG2 MET 69 -4.591 27.432 3.314 521 HG3 MET 69 HG3 MET 69 -4.458 26.202 2.058 522 HE1 MET 69 HE1 MET 69 -2.555 29.806 2.483 523 HE2 MET 69 HE2 MET 69 -1.367 29.152 3.607 524 HE3 MET 69 HE3 MET 69 -3.084 29.016 3.975 525 H ARG 70 H ARG 70 -5.979 30.352 2.493 526 HA ARG 70 HA ARG 70 -6.483 29.759 5.197 527 HB2 ARG 70 HB2 ARG 70 -5.262 31.771 4.368 528 HB3 ARG 70 HB3 ARG 70 -6.800 32.435 3.816 529 HG2 ARG 70 HG2 ARG 70 -7.675 32.387 6.108 530 HG3 ARG 70 HG3 ARG 70 -6.176 31.655 6.682 531 HD2 ARG 70 HD2 ARG 70 -6.036 34.014 7.143 532 HD3 ARG 70 HD3 ARG 70 -4.951 33.678 5.797 533 HE ARG 70 HE ARG 70 -7.488 34.392 4.775 534 HH11 ARG 70 HH21 ARG 70 -4.776 35.722 6.475 535 HH12 ARG 70 HH22 ARG 70 -5.003 37.324 5.857 536 HH21 ARG 70 HH11 ARG 70 -7.785 36.489 3.965 537 HH22 ARG 70 HH12 ARG 70 -6.704 37.757 4.438 538 H MET 71 H MET 71 -8.603 30.906 2.616 539 HA MET 71 HA MET 71 -10.854 31.548 4.163 540 HB2 MET 71 HB2 MET 71 -10.437 32.106 1.720 541 HB3 MET 71 HB3 MET 71 -10.923 30.452 1.349 542 HG2 MET 71 HG2 MET 71 -12.786 31.825 3.158 543 HG3 MET 71 HG3 MET 71 -12.647 32.599 1.580 544 HE1 MET 71 HE1 MET 71 -15.229 31.870 2.199 545 HE2 MET 71 HE2 MET 71 -15.004 30.500 3.283 546 HE3 MET 71 HE3 MET 71 -15.896 30.287 1.780 547 H MET 72 H MET 72 -9.788 28.491 2.731 548 HA MET 72 HA MET 72 -12.117 27.021 3.132 549 HB2 MET 72 HB2 MET 72 -9.217 26.224 3.055 550 HB3 MET 72 HB3 MET 72 -10.491 25.032 3.301 551 HG2 MET 72 HG2 MET 72 -10.265 26.928 0.945 552 HG3 MET 72 HG3 MET 72 -9.933 25.198 0.914 553 HE1 MET 72 HE1 MET 72 -13.235 23.504 1.583 554 HE2 MET 72 HE2 MET 72 -12.410 24.189 2.979 555 HE3 MET 72 HE3 MET 72 -11.470 23.468 1.675 556 H GLN 73 H GLN 73 -9.295 27.326 5.274 557 HA GLN 73 HA GLN 73 -10.292 25.752 7.381 558 HB2 GLN 73 HB2 GLN 73 -8.421 28.122 7.579 559 HB3 GLN 73 HB3 GLN 73 -8.582 26.816 8.750 560 HG2 GLN 73 HG2 GLN 73 -7.487 26.674 5.935 561 HG3 GLN 73 HG3 GLN 73 -6.665 26.270 7.440 562 HE21 GLN 73 HE21 GLN 73 -8.314 24.916 4.824 563 HE22 GLN 73 HE22 GLN 73 -8.704 23.421 5.520 564 H GLN 74 H GLN 74 -10.534 29.209 6.718 565 HA GLN 74 HA GLN 74 -11.830 29.975 9.092 566 HB2 GLN 74 HB2 GLN 74 -10.897 31.722 7.866 567 HB3 GLN 74 HB3 GLN 74 -11.620 31.177 6.354 568 HG2 GLN 74 HG2 GLN 74 -13.586 31.765 8.463 569 HG3 GLN 74 HG3 GLN 74 -12.645 33.171 7.959 570 HE21 GLN 74 HE21 GLN 74 -13.153 30.585 5.649 571 HE22 GLN 74 HE22 GLN 74 -14.288 31.404 4.699 572 H LYS 75 H LYS 75 -13.138 28.821 6.011 573 HA LYS 75 HA LYS 75 -15.816 29.468 6.375 574 HB2 LYS 75 HB2 LYS 75 -14.871 28.523 4.293 575 HB3 LYS 75 HB3 LYS 75 -14.706 26.960 5.091 576 HG2 LYS 75 HG2 LYS 75 -16.759 26.840 3.886 577 HG3 LYS 75 HG3 LYS 75 -17.220 27.100 5.567 578 HD2 LYS 75 HD2 LYS 75 -17.511 29.498 5.146 579 HD3 LYS 75 HD3 LYS 75 -16.971 29.289 3.480 580 HE2 LYS 75 HE2 LYS 75 -19.421 29.366 3.565 581 HE3 LYS 75 HE3 LYS 75 -18.883 27.761 3.070 582 HZ1 LYS 75 HZ1 LYS 75 -19.456 28.431 5.895 583 HZ2 LYS 75 HZ2 LYS 75 -19.312 26.894 5.186 584 HZ3 LYS 75 HZ3 LYS 75 -20.661 27.868 4.842 585 H GLU 76 H GLU 76 -14.065 26.592 7.474 586 HA GLU 76 HA GLU 76 -15.746 26.281 9.763 587 HB2 GLU 76 HB2 GLU 76 -17.236 25.397 7.919 588 HB3 GLU 76 HB3 GLU 76 -16.046 24.124 7.663 589 HG2 GLU 76 HG2 GLU 76 -17.735 23.247 9.146 590 HG3 GLU 76 HG3 GLU 76 -16.278 23.513 10.098 591 H MET 77 H MET 77 -13.373 26.473 10.339 592 HA MET 77 HA MET 77 -11.475 24.532 9.748 593 HB2 MET 77 HB2 MET 77 -11.447 26.763 11.270 594 HB3 MET 77 HB3 MET 77 -11.445 25.531 12.532 595 HG2 MET 77 HG2 MET 77 -9.522 25.653 10.190 596 HG3 MET 77 HG3 MET 77 -9.145 26.092 11.850 597 HE1 MET 77 HE1 MET 77 -10.545 23.781 13.687 598 HE2 MET 77 HE2 MET 77 -9.089 24.771 13.740 599 HE3 MET 77 HE3 MET 77 -8.958 23.019 13.856 600 H GLN 78 H GLN 78 -12.265 22.485 9.697 601 HA GLN 78 HA GLN 78 -13.818 21.198 11.650 602 HB2 GLN 78 HB2 GLN 78 -11.973 20.271 9.480 603 HB3 GLN 78 HB3 GLN 78 -12.570 19.098 10.655 604 HG2 GLN 78 HG2 GLN 78 -14.790 19.367 10.003 605 HG3 GLN 78 HG3 GLN 78 -14.516 20.987 9.368 606 HE21 GLN 78 HE21 GLN 78 -15.836 19.625 7.556 607 HE22 GLN 78 HE22 GLN 78 -14.850 18.953 6.350 608 HA PRO 79 HA PRO 79 -10.677 20.486 14.709 609 HB2 PRO 79 HB2 PRO 79 -11.983 18.847 16.365 610 HB3 PRO 79 HB3 PRO 79 -12.593 20.487 16.061 611 HG2 PRO 79 HG2 PRO 79 -13.563 17.887 15.019 612 HG3 PRO 79 HG3 PRO 79 -14.470 19.347 15.440 613 HD2 PRO 79 HD2 PRO 79 -13.638 18.561 12.834 614 HD3 PRO 79 HD3 PRO 79 -14.339 20.129 13.296 615 H ARG 80 H ARG 80 -8.950 19.412 14.047 616 HA ARG 80 HA ARG 80 -8.572 16.655 14.549 617 HB2 ARG 80 HB2 ARG 80 -8.850 17.485 11.654 618 HB3 ARG 80 HB3 ARG 80 -7.898 16.083 12.134 619 HG2 ARG 80 HG2 ARG 80 -10.060 15.359 13.413 620 HG3 ARG 80 HG3 ARG 80 -10.867 16.516 12.352 621 HD2 ARG 80 HD2 ARG 80 -9.879 15.363 10.384 622 HD3 ARG 80 HD3 ARG 80 -9.181 14.166 11.471 623 HE ARG 80 HE ARG 80 -12.103 14.593 11.449 624 HH11 ARG 80 HH21 ARG 80 -9.309 12.595 10.914 625 HH12 ARG 80 HH22 ARG 80 -10.222 11.131 10.784 626 HH21 ARG 80 HH11 ARG 80 -13.284 12.671 11.279 627 HH22 ARG 80 HH12 ARG 80 -12.465 11.173 10.990 628 H GLY 81 H GLY 81 -6.413 16.443 15.016 629 HA2 GLY 81 HA2 GLY 81 -4.696 18.728 14.416 630 HA3 GLY 81 HA3 GLY 81 -4.325 17.406 15.514 631 H GLU 82 H GLU 82 -3.916 15.261 14.462 632 HA GLU 82 HA GLU 82 -1.807 15.479 12.613 633 HB2 GLU 82 HB2 GLU 82 -3.412 13.079 13.502 634 HB3 GLU 82 HB3 GLU 82 -1.950 12.983 12.521 635 HG2 GLU 82 HG2 GLU 82 -1.152 12.704 14.722 636 HG3 GLU 82 HG3 GLU 82 -0.840 14.403 14.378 637 H GLN 83 H GLN 83 -5.149 14.312 12.117 638 HA GLN 83 HA GLN 83 -4.824 13.514 9.457 639 HB2 GLN 83 HB2 GLN 83 -6.754 12.887 10.836 640 HB3 GLN 83 HB3 GLN 83 -7.331 14.552 10.780 641 HG2 GLN 83 HG2 GLN 83 -8.475 13.181 9.083 642 HG3 GLN 83 HG3 GLN 83 -7.486 14.423 8.323 643 HE21 GLN 83 HE21 GLN 83 -6.945 13.325 6.375 644 HE22 GLN 83 HE22 GLN 83 -6.073 11.868 6.342 645 H MET 84 H MET 84 -6.498 16.517 10.488 646 HA MET 84 HA MET 84 -6.617 17.599 7.908 647 HB2 MET 84 HB2 MET 84 -6.809 18.818 10.639 648 HB3 MET 84 HB3 MET 84 -6.817 19.836 9.194 649 HG2 MET 84 HG2 MET 84 -8.718 18.559 8.281 650 HG3 MET 84 HG3 MET 84 -8.705 17.502 9.691 651 HE1 MET 84 HE1 MET 84 -8.853 20.798 8.223 652 HE2 MET 84 HE2 MET 84 -8.495 21.759 9.655 653 HE3 MET 84 HE3 MET 84 -10.146 21.681 9.046 654 H ARG 85 H ARG 85 -3.984 17.659 10.245 655 HA ARG 85 HA ARG 85 -2.485 19.789 9.241 656 HB2 ARG 85 HB2 ARG 85 -1.841 18.440 11.235 657 HB3 ARG 85 HB3 ARG 85 -1.395 17.113 10.163 658 HG2 ARG 85 HG2 ARG 85 0.254 18.581 9.043 659 HG3 ARG 85 HG3 ARG 85 -0.180 19.893 10.139 660 HD2 ARG 85 HD2 ARG 85 1.801 18.846 11.023 661 HD3 ARG 85 HD3 ARG 85 0.454 18.384 12.060 662 HE ARG 85 HE ARG 85 0.740 16.429 10.051 663 HH11 ARG 85 HH21 ARG 85 2.407 17.719 12.802 664 HH12 ARG 85 HH22 ARG 85 3.210 16.232 13.183 665 HH21 ARG 85 HH11 ARG 85 1.791 14.482 10.548 666 HH22 ARG 85 HH12 ARG 85 2.860 14.402 11.906 667 H ARG 86 H ARG 86 -2.733 16.439 8.141 668 HA ARG 86 HA ARG 86 -0.868 16.551 6.029 669 HB2 ARG 86 HB2 ARG 86 -3.370 14.869 6.334 670 HB3 ARG 86 HB3 ARG 86 -2.106 14.591 5.135 671 HG2 ARG 86 HG2 ARG 86 -0.450 14.284 6.931 672 HG3 ARG 86 HG3 ARG 86 -1.695 14.587 8.142 673 HD2 ARG 86 HD2 ARG 86 -1.459 12.201 7.953 674 HD3 ARG 86 HD3 ARG 86 -2.981 12.638 7.184 675 HE ARG 86 HE ARG 86 -1.006 12.652 5.199 676 HH11 ARG 86 HH21 ARG 86 -2.540 10.447 7.387 677 HH12 ARG 86 HH22 ARG 86 -2.353 9.074 6.349 678 HH21 ARG 86 HH11 ARG 86 -0.761 10.854 3.838 679 HH22 ARG 86 HH12 ARG 86 -1.347 9.304 4.342 680 H MET 87 H MET 87 -4.254 17.471 6.275 681 HA MET 87 HA MET 87 -4.996 17.727 3.625 682 HB2 MET 87 HB2 MET 87 -6.473 18.146 5.607 683 HB3 MET 87 HB3 MET 87 -5.685 19.712 5.800 684 HG2 MET 87 HG2 MET 87 -6.305 20.112 3.318 685 HG3 MET 87 HG3 MET 87 -7.418 18.761 3.524 686 HE1 MET 87 HE1 MET 87 -9.696 18.896 4.995 687 HE2 MET 87 HE2 MET 87 -9.629 19.849 6.473 688 HE3 MET 87 HE3 MET 87 -8.368 18.668 6.138 689 H MET 88 H MET 88 -3.175 20.025 5.628 690 HA MET 88 HA MET 88 -3.061 22.173 3.860 691 HB2 MET 88 HB2 MET 88 -2.207 22.138 6.221 692 HB3 MET 88 HB3 MET 88 -0.803 21.243 5.645 693 HG2 MET 88 HG2 MET 88 -1.020 23.419 3.889 694 HG3 MET 88 HG3 MET 88 -1.354 24.095 5.483 695 HE1 MET 88 HE1 MET 88 -0.203 23.179 7.491 696 HE2 MET 88 HE2 MET 88 1.551 23.157 7.646 697 HE3 MET 88 HE3 MET 88 0.696 21.687 7.189 698 H ARG 89 H ARG 89 -0.548 19.664 4.263 699 HA ARG 89 HA ARG 89 0.974 20.398 2.018 700 HB2 ARG 89 HB2 ARG 89 0.718 17.732 3.426 701 HB3 ARG 89 HB3 ARG 89 1.962 18.120 2.236 702 HG2 ARG 89 HG2 ARG 89 2.681 20.038 3.667 703 HG3 ARG 89 HG3 ARG 89 1.504 19.538 4.880 704 HD2 ARG 89 HD2 ARG 89 3.796 17.840 3.854 705 HD3 ARG 89 HD3 ARG 89 3.758 18.673 5.405 706 HE ARG 89 HE ARG 89 2.332 16.237 4.707 707 HH11 ARG 89 HH21 ARG 89 2.614 18.962 6.835 708 HH12 ARG 89 HH22 ARG 89 1.802 18.186 8.152 709 HH21 ARG 89 HH11 ARG 89 1.267 15.224 6.437 710 HH22 ARG 89 HH12 ARG 89 1.038 16.075 7.927 711 H LEU 90 H LEU 90 -1.430 17.776 2.359 712 HA LEU 90 HA LEU 90 -1.275 16.921 -0.328 713 HB2 LEU 90 HB2 LEU 90 -2.840 15.364 0.234 714 HB3 LEU 90 HB3 LEU 90 -2.361 15.842 1.861 715 HG LEU 90 HG LEU 90 -4.266 17.635 1.606 716 HD11 LEU 90 HD11 LEU 90 -4.512 16.144 -0.845 717 HD12 LEU 90 HD12 LEU 90 -5.468 17.522 -0.298 718 HD13 LEU 90 HD13 LEU 90 -5.957 15.883 0.131 719 HD21 LEU 90 HD21 LEU 90 -4.246 15.714 3.189 720 HD22 LEU 90 HD22 LEU 90 -4.910 14.685 1.920 721 HD23 LEU 90 HD23 LEU 90 -5.861 16.028 2.553 722 H ALA 91 H ALA 91 -3.155 19.456 1.202 723 HA ALA 91 HA ALA 91 -5.166 19.834 -0.678 724 HB1 ALA 91 HB1 ALA 91 -4.920 22.325 -0.013 725 HB2 ALA 91 HB2 ALA 91 -3.682 21.752 1.102 726 HB3 ALA 91 HB3 ALA 91 -5.338 21.164 1.247 727 H GLU 92 H GLU 92 -1.834 21.047 -0.706 728 HA GLU 92 HA GLU 92 -2.002 22.654 -3.002 729 HB2 GLU 92 HB2 GLU 92 -0.088 22.606 -1.394 730 HB3 GLU 92 HB3 GLU 92 0.402 21.060 -2.084 731 HG2 GLU 92 HG2 GLU 92 -0.066 23.387 -3.923 732 HG3 GLU 92 HG3 GLU 92 1.432 23.323 -3.001 733 H ASN 93 H ASN 93 -1.703 19.181 -2.652 734 HA ASN 93 HA ASN 93 -0.831 18.623 -5.302 735 HB2 ASN 93 HB2 ASN 93 -2.324 16.877 -3.332 736 HB3 ASN 93 HB3 ASN 93 -1.550 16.310 -4.811 737 HD21 ASN 93 HD21 ASN 93 0.398 18.789 -3.715 738 HD22 ASN 93 HD22 ASN 93 1.493 17.883 -2.787 739 H ILE 94 H ILE 94 -4.017 19.038 -3.843 740 HA ILE 94 HA ILE 94 -5.624 17.926 -5.817 741 HB ILE 94 HB ILE 94 -6.070 20.259 -3.960 742 HG12 ILE 94 HG12 ILE 94 -7.401 17.547 -4.038 743 HG13 ILE 94 HG13 ILE 94 -5.878 17.812 -3.186 744 HG21 ILE 94 HG21 ILE 94 -7.906 19.075 -6.047 745 HG22 ILE 94 HG22 ILE 94 -7.534 20.774 -5.761 746 HG23 ILE 94 HG23 ILE 94 -8.533 19.885 -4.612 747 HD11 ILE 94 HD11 ILE 94 -7.016 19.698 -1.938 748 HD12 ILE 94 HD12 ILE 94 -7.647 18.093 -1.576 749 HD13 ILE 94 HD13 ILE 94 -8.536 19.166 -2.656 750 HA PRO 95 HA PRO 95 -5.711 22.142 -8.177 751 HB2 PRO 95 HB2 PRO 95 -3.703 23.927 -7.563 752 HB3 PRO 95 HB3 PRO 95 -5.324 23.964 -6.844 753 HG2 PRO 95 HG2 PRO 95 -2.784 22.903 -5.738 754 HG3 PRO 95 HG3 PRO 95 -4.103 23.761 -4.925 755 HD2 PRO 95 HD2 PRO 95 -3.778 21.060 -4.752 756 HD3 PRO 95 HD3 PRO 95 -5.366 21.849 -4.653 757 H SER 96 H SER 96 -2.757 20.528 -7.313 758 HA SER 96 HA SER 96 -1.074 21.288 -9.442 759 HB2 SER 96 HB2 SER 96 -1.183 18.581 -8.090 760 HB3 SER 96 HB3 SER 96 0.178 19.263 -8.973 761 HG SER 96 HG SER 96 -1.002 20.294 -6.601 762 H ARG 97 H ARG 97 -3.594 19.011 -9.019 763 HA ARG 97 HA ARG 97 -3.433 17.456 -11.307 764 HB2 ARG 97 HB2 ARG 97 -5.813 18.436 -9.729 765 HB3 ARG 97 HB3 ARG 97 -5.856 17.151 -10.900 766 HG2 ARG 97 HG2 ARG 97 -4.078 15.953 -9.586 767 HG3 ARG 97 HG3 ARG 97 -4.264 17.190 -8.345 768 HD2 ARG 97 HD2 ARG 97 -6.402 15.281 -9.325 769 HD3 ARG 97 HD3 ARG 97 -5.622 15.264 -7.749 770 HE ARG 97 HE ARG 97 -6.815 17.271 -7.187 771 HH11 ARG 97 HH21 ARG 97 -7.634 15.904 -10.274 772 HH12 ARG 97 HH22 ARG 97 -9.153 16.727 -10.380 773 HH21 ARG 97 HH11 ARG 97 -8.805 18.339 -7.336 774 HH22 ARG 97 HH12 ARG 97 -9.814 18.098 -8.722 775 H CYS 98 H CYS 98 -4.770 20.692 -10.815 776 HA CYS 98 HA CYS 98 -5.609 20.810 -13.635 777 HB2 CYS 98 HB2 CYS 98 -6.101 23.124 -11.863 778 HB3 CYS 98 HB3 CYS 98 -7.156 22.362 -13.048 779 H ASN 99 H ASN 99 -3.090 21.665 -11.535 780 HA ASN 99 HA ASN 99 -2.416 24.181 -12.453 781 HB2 ASN 99 HB2 ASN 99 -0.653 21.993 -11.419 782 HB3 ASN 99 HB3 ASN 99 -0.034 23.552 -11.987 783 HD21 ASN 99 HD21 ASN 99 -2.868 24.601 -10.994 784 HD22 ASN 99 HD22 ASN 99 -2.577 24.886 -9.352 785 H LEU 100 H LEU 100 -0.990 24.935 -13.797 786 HA LEU 100 HA LEU 100 -0.243 23.354 -16.146 787 HB2 LEU 100 HB2 LEU 100 -1.443 25.660 -17.162 788 HB3 LEU 100 HB3 LEU 100 -2.153 24.045 -17.150 789 HG LEU 100 HG LEU 100 -2.844 24.688 -14.649 790 HD11 LEU 100 HD11 LEU 100 -2.316 26.764 -14.047 791 HD12 LEU 100 HD12 LEU 100 -3.416 27.366 -15.286 792 HD13 LEU 100 HD13 LEU 100 -1.708 27.132 -15.659 793 HD21 LEU 100 HD21 LEU 100 -4.332 26.029 -16.887 794 HD22 LEU 100 HD22 LEU 100 -4.971 25.313 -15.407 795 HD23 LEU 100 HD23 LEU 100 -4.318 24.277 -16.675 796 H SER 101 H SER 101 1.573 24.121 -17.111 797 HA SER 101 HA SER 101 3.527 25.535 -15.993 798 HB2 SER 101 HB2 SER 101 4.223 26.274 -18.319 799 HB3 SER 101 HB3 SER 101 3.930 24.550 -18.117 800 HG SER 101 HG SER 101 1.803 24.939 -18.938 801 HA PRO 102 HA PRO 102 1.482 29.592 -15.724 802 HB2 PRO 102 HB2 PRO 102 2.751 29.964 -13.175 803 HB3 PRO 102 HB3 PRO 102 1.054 29.569 -13.487 804 HG2 PRO 102 HG2 PRO 102 2.859 27.892 -12.252 805 HG3 PRO 102 HG3 PRO 102 1.362 27.370 -13.048 806 HD2 PRO 102 HD2 PRO 102 4.170 27.316 -14.115 807 HD3 PRO 102 HD3 PRO 102 2.865 26.115 -14.289 808 H MET 103 H MET 103 2.412 31.396 -16.602 809 HA MET 103 HA MET 103 5.218 31.515 -17.083 810 HB2 MET 103 HB2 MET 103 3.417 32.576 -18.506 811 HB3 MET 103 HB3 MET 103 3.250 33.807 -17.256 812 HG2 MET 103 HG2 MET 103 5.717 34.273 -17.497 813 HG3 MET 103 HG3 MET 103 5.732 33.183 -18.881 814 HE1 MET 103 HE1 MET 103 4.354 33.304 -20.812 815 HE2 MET 103 HE2 MET 103 3.644 34.743 -21.539 816 HE3 MET 103 HE3 MET 103 2.765 33.875 -20.283 817 H ARG 104 H ARG 104 3.123 33.656 -15.129 818 HA ARG 104 HA ARG 104 5.158 33.814 -13.047 819 HB2 ARG 104 HB2 ARG 104 4.222 36.272 -14.554 820 HB3 ARG 104 HB3 ARG 104 5.144 36.306 -13.055 821 HG2 ARG 104 HG2 ARG 104 6.087 34.996 -15.624 822 HG3 ARG 104 HG3 ARG 104 6.578 36.594 -15.078 823 HD2 ARG 104 HD2 ARG 104 7.023 34.020 -13.538 824 HD3 ARG 104 HD3 ARG 104 8.246 34.862 -14.481 825 HE ARG 104 HE ARG 104 7.053 36.587 -12.533 826 HH11 ARG 104 HH21 ARG 104 9.323 34.016 -13.017 827 HH12 ARG 104 HH22 ARG 104 10.293 34.431 -11.644 828 HH21 ARG 104 HH11 ARG 104 8.319 37.130 -10.731 829 HH22 ARG 104 HH12 ARG 104 9.725 36.192 -10.351 830 H CYS 105 H CYS 105 4.363 34.800 -11.088 831 HA CYS 105 HA CYS 105 1.405 34.872 -10.934 832 HB2 CYS 105 HB2 CYS 105 3.457 33.868 -8.961 833 HB3 CYS 105 HB3 CYS 105 1.816 34.289 -8.469 834 HA PRO 106 HA PRO 106 2.675 39.188 -10.161 835 HB2 PRO 106 HB2 PRO 106 -0.253 39.572 -10.257 836 HB3 PRO 106 HB3 PRO 106 1.025 40.398 -11.167 837 HG2 PRO 106 HG2 PRO 106 -0.597 38.600 -12.312 838 HG3 PRO 106 HG3 PRO 106 1.099 38.783 -12.793 839 HD2 PRO 106 HD2 PRO 106 -0.163 36.641 -11.124 840 HD3 PRO 106 HD3 PRO 106 1.185 36.529 -12.276 841 H MET 107 H MET 107 1.372 36.989 -8.184 842 HA MET 107 HA MET 107 0.119 38.661 -6.223 843 HB2 MET 107 HB2 MET 107 1.239 35.896 -6.168 844 HB3 MET 107 HB3 MET 107 0.379 36.614 -4.804 845 HG2 MET 107 HG2 MET 107 -0.688 35.562 -7.349 846 HG3 MET 107 HG3 MET 107 -1.473 35.751 -5.786 847 HE1 MET 107 HE1 MET 107 -1.491 36.972 -9.377 848 HE2 MET 107 HE2 MET 107 -3.062 37.710 -9.082 849 HE3 MET 107 HE3 MET 107 -2.742 36.078 -8.501 850 H GLY 108 H GLY 108 1.326 40.198 -5.501 851 HA2 GLY 108 HA2 GLY 108 2.818 41.191 -4.055 852 HA3 GLY 108 HA3 GLY 108 3.444 39.601 -3.647 853 H GLY 109 H GLY 109 3.193 40.606 -6.956 854 HA2 GLY 109 HA2 GLY 109 4.796 40.796 -8.606 855 HA3 GLY 109 HA3 GLY 109 5.558 41.913 -7.478 856 H SER 110 H SER 110 5.206 38.397 -8.039 857 HA SER 110 HA SER 110 7.313 37.477 -6.507 858 HB2 SER 110 HB2 SER 110 5.612 36.147 -7.915 859 HB3 SER 110 HB3 SER 110 6.748 36.352 -9.246 860 HG SER 110 HG SER 110 8.333 35.366 -7.947 861 H ILE 111 H ILE 111 9.460 37.634 -6.579 862 HA ILE 111 HA ILE 111 10.726 39.281 -8.589 863 HB ILE 111 HB ILE 111 11.925 37.713 -6.289 864 HG12 ILE 111 HG12 ILE 111 11.212 40.658 -6.508 865 HG13 ILE 111 HG13 ILE 111 10.236 39.461 -5.654 866 HG21 ILE 111 HG21 ILE 111 13.658 38.216 -7.876 867 HG22 ILE 111 HG22 ILE 111 13.781 39.432 -6.607 868 HG23 ILE 111 HG23 ILE 111 13.026 39.841 -8.146 869 HD11 ILE 111 HD11 ILE 111 13.055 40.350 -4.999 870 HD12 ILE 111 HD12 ILE 111 12.312 38.919 -4.284 871 HD13 ILE 111 HD13 ILE 111 11.612 40.511 -3.997 872 H ALA 112 H ALA 112 10.379 35.908 -7.909 873 HA ALA 112 HA ALA 112 11.659 35.198 -10.445 874 HB1 ALA 112 HB1 ALA 112 12.404 33.810 -7.870 875 HB2 ALA 112 HB2 ALA 112 13.400 35.066 -8.607 876 HB3 ALA 112 HB3 ALA 112 13.099 33.557 -9.470 877 H GLY 113 H GLY 113 11.613 32.442 -10.121 878 HA2 GLY 113 HA2 GLY 113 8.874 31.862 -10.481 879 HA3 GLY 113 HA3 GLY 113 10.141 30.661 -10.190 880 H PHE 114 H PHE 114 7.688 32.601 -8.819 881 HA PHE 114 HA PHE 114 8.000 32.697 -6.153 882 HB2 PHE 114 HB2 PHE 114 5.541 32.350 -5.923 883 HB3 PHE 114 HB3 PHE 114 5.962 33.474 -7.216 884 HD1 PHE 114 HD1 PHE 114 5.924 32.711 -9.604 885 HD2 PHE 114 HD2 PHE 114 4.469 30.251 -6.394 886 HE1 PHE 114 HE1 PHE 114 4.725 31.284 -11.239 887 HE2 PHE 114 HE2 PHE 114 3.271 28.826 -8.031 888 HZ PHE 114 HZ PHE 114 3.401 29.342 -10.452 Start of MODEL 8 1 H1 GLU 1 H1 GLU 1 1.861 47.019 -6.608 2 H2 GLU 1 H2 GLU 1 2.628 46.766 -8.103 3 H3 GLU 1 H3 GLU 1 2.987 45.762 -6.780 4 HA GLU 1 HA GLU 1 1.541 44.624 -8.330 5 HB2 GLU 1 HB2 GLU 1 1.334 44.099 -5.946 6 HB3 GLU 1 HB3 GLU 1 0.220 45.446 -5.725 7 HG2 GLU 1 HG2 GLU 1 -1.052 43.369 -5.921 8 HG3 GLU 1 HG3 GLU 1 -1.356 44.380 -7.330 9 H ALA 2 H ALA 2 0.098 44.868 -9.916 10 HA ALA 2 HA ALA 2 -1.119 47.389 -10.447 11 HB1 ALA 2 HB1 ALA 2 -0.466 45.861 -12.251 12 HB2 ALA 2 HB2 ALA 2 -2.192 46.218 -12.335 13 HB3 ALA 2 HB3 ALA 2 -1.640 44.673 -11.684 14 H GLU 3 H GLU 3 -3.177 48.088 -10.159 15 HA GLU 3 HA GLU 3 -4.734 47.007 -8.068 16 HB2 GLU 3 HB2 GLU 3 -6.323 48.716 -8.564 17 HB3 GLU 3 HB3 GLU 3 -4.731 49.409 -8.862 18 HG2 GLU 3 HG2 GLU 3 -6.586 48.266 -10.977 19 HG3 GLU 3 HG3 GLU 3 -6.297 49.978 -10.683 20 H ALA 4 H ALA 4 -4.564 46.240 -11.413 21 HA ALA 4 HA ALA 4 -7.158 45.322 -11.908 22 HB1 ALA 4 HB1 ALA 4 -5.472 45.618 -13.681 23 HB2 ALA 4 HB2 ALA 4 -6.165 43.996 -13.720 24 HB3 ALA 4 HB3 ALA 4 -4.562 44.255 -13.032 25 H GLN 5 H GLN 5 -4.771 44.096 -9.865 26 HA GLN 5 HA GLN 5 -5.172 41.351 -9.838 27 HB2 GLN 5 HB2 GLN 5 -3.494 42.538 -8.487 28 HB3 GLN 5 HB3 GLN 5 -4.788 43.233 -7.510 29 HG2 GLN 5 HG2 GLN 5 -5.470 40.978 -6.788 30 HG3 GLN 5 HG3 GLN 5 -4.223 40.262 -7.807 31 HE21 GLN 5 HE21 GLN 5 -4.820 41.893 -4.757 32 HE22 GLN 5 HE22 GLN 5 -3.229 41.788 -4.175 33 H GLU 6 H GLU 6 -7.151 43.953 -8.566 34 HA GLU 6 HA GLU 6 -8.890 42.615 -6.882 35 HB2 GLU 6 HB2 GLU 6 -10.513 44.387 -7.411 36 HB3 GLU 6 HB3 GLU 6 -8.896 45.051 -7.184 37 HG2 GLU 6 HG2 GLU 6 -9.118 46.027 -9.207 38 HG3 GLU 6 HG3 GLU 6 -9.005 44.417 -9.909 39 H GLU 7 H GLU 7 -8.765 42.591 -10.389 40 HA GLU 7 HA GLU 7 -11.298 41.644 -11.033 41 HB2 GLU 7 HB2 GLU 7 -9.755 42.261 -12.785 42 HB3 GLU 7 HB3 GLU 7 -8.604 41.029 -12.273 43 HG2 GLU 7 HG2 GLU 7 -11.355 40.088 -12.921 44 HG3 GLU 7 HG3 GLU 7 -10.368 40.626 -14.277 45 H CYS 8 H CYS 8 -8.427 39.958 -9.882 46 HA CYS 8 HA CYS 8 -9.472 37.346 -10.129 47 HB2 CYS 8 HB2 CYS 8 -7.355 38.334 -8.207 48 HB3 CYS 8 HB3 CYS 8 -7.615 36.664 -8.709 49 H ARG 9 H ARG 9 -9.204 39.567 -7.365 50 HA ARG 9 HA ARG 9 -10.423 37.956 -5.427 51 HB2 ARG 9 HB2 ARG 9 -9.226 40.096 -4.973 52 HB3 ARG 9 HB3 ARG 9 -10.598 40.971 -5.654 53 HG2 ARG 9 HG2 ARG 9 -12.084 39.933 -3.956 54 HG3 ARG 9 HG3 ARG 9 -10.687 39.117 -3.254 55 HD2 ARG 9 HD2 ARG 9 -9.631 41.349 -2.869 56 HD3 ARG 9 HD3 ARG 9 -11.101 42.113 -3.466 57 HE ARG 9 HE ARG 9 -12.147 41.585 -1.451 58 HH11 ARG 9 HH21 ARG 9 -9.142 39.886 -1.784 59 HH12 ARG 9 HH22 ARG 9 -9.134 39.309 -0.151 60 HH21 ARG 9 HH11 ARG 9 -12.134 40.828 0.685 61 HH22 ARG 9 HH12 ARG 9 -10.826 39.842 1.244 62 H GLU 10 H GLU 10 -11.856 40.297 -7.686 63 HA GLU 10 HA GLU 10 -14.524 40.078 -6.799 64 HB2 GLU 10 HB2 GLU 10 -13.797 41.890 -8.259 65 HB3 GLU 10 HB3 GLU 10 -13.428 40.740 -9.544 66 HG2 GLU 10 HG2 GLU 10 -16.185 40.658 -8.403 67 HG3 GLU 10 HG3 GLU 10 -15.778 42.038 -9.421 68 H GLN 11 H GLN 11 -12.846 38.467 -9.489 69 HA GLN 11 HA GLN 11 -14.966 36.839 -10.334 70 HB2 GLN 11 HB2 GLN 11 -12.767 37.283 -11.534 71 HB3 GLN 11 HB3 GLN 11 -12.048 36.073 -10.471 72 HG2 GLN 11 HG2 GLN 11 -13.748 34.425 -11.245 73 HG3 GLN 11 HG3 GLN 11 -14.389 35.635 -12.351 74 HE21 GLN 11 HE21 GLN 11 -13.540 33.400 -13.620 75 HE22 GLN 11 HE22 GLN 11 -12.030 33.629 -14.358 76 H MET 12 H MET 12 -12.716 36.498 -7.683 77 HA MET 12 HA MET 12 -12.698 33.827 -7.124 78 HB2 MET 12 HB2 MET 12 -11.555 35.592 -5.787 79 HB3 MET 12 HB3 MET 12 -13.105 35.981 -5.043 80 HG2 MET 12 HG2 MET 12 -11.870 34.447 -3.597 81 HG3 MET 12 HG3 MET 12 -13.288 33.629 -4.250 82 HE1 MET 12 HE1 MET 12 -9.463 31.808 -3.984 83 HE2 MET 12 HE2 MET 12 -10.575 32.669 -2.926 84 HE3 MET 12 HE3 MET 12 -9.421 33.573 -3.904 85 H GLN 13 H GLN 13 -15.385 36.070 -6.485 86 HA GLN 13 HA GLN 13 -16.971 34.368 -4.920 87 HB2 GLN 13 HB2 GLN 13 -17.705 36.543 -6.882 88 HB3 GLN 13 HB3 GLN 13 -18.919 35.666 -5.958 89 HG2 GLN 13 HG2 GLN 13 -18.278 37.761 -4.821 90 HG3 GLN 13 HG3 GLN 13 -17.849 36.353 -3.855 91 HE21 GLN 13 HE21 GLN 13 -16.539 39.046 -5.719 92 HE22 GLN 13 HE22 GLN 13 -14.921 38.803 -5.271 93 H ARG 14 H ARG 14 -16.675 34.657 -8.430 94 HA ARG 14 HA ARG 14 -18.658 32.857 -9.216 95 HB2 ARG 14 HB2 ARG 14 -17.356 34.439 -10.700 96 HB3 ARG 14 HB3 ARG 14 -15.990 33.333 -10.567 97 HG2 ARG 14 HG2 ARG 14 -17.330 31.520 -11.528 98 HG3 ARG 14 HG3 ARG 14 -18.734 32.588 -11.616 99 HD2 ARG 14 HD2 ARG 14 -17.790 32.663 -13.788 100 HD3 ARG 14 HD3 ARG 14 -17.259 34.150 -13.011 101 HE ARG 14 HE ARG 14 -15.073 33.347 -13.056 102 HH11 ARG 14 HH21 ARG 14 -17.343 30.821 -13.760 103 HH12 ARG 14 HH22 ARG 14 -16.131 29.684 -14.244 104 HH21 ARG 14 HH11 ARG 14 -13.487 31.854 -13.689 105 HH22 ARG 14 HH12 ARG 14 -13.951 30.268 -14.205 106 H GLN 15 H GLN 15 -15.278 32.507 -8.285 107 HA GLN 15 HA GLN 15 -15.209 29.695 -8.750 108 HB2 GLN 15 HB2 GLN 15 -13.369 31.685 -7.466 109 HB3 GLN 15 HB3 GLN 15 -13.088 29.961 -7.236 110 HG2 GLN 15 HG2 GLN 15 -11.817 30.553 -9.161 111 HG3 GLN 15 HG3 GLN 15 -13.255 29.739 -9.778 112 HE21 GLN 15 HE21 GLN 15 -14.308 30.852 -11.422 113 HE22 GLN 15 HE22 GLN 15 -14.217 32.528 -11.674 114 H GLN 16 H GLN 16 -17.202 29.285 -7.615 115 HA GLN 16 HA GLN 16 -17.213 29.451 -4.718 116 HB2 GLN 16 HB2 GLN 16 -19.148 28.158 -6.660 117 HB3 GLN 16 HB3 GLN 16 -19.420 28.341 -4.924 118 HG2 GLN 16 HG2 GLN 16 -19.205 30.790 -5.150 119 HG3 GLN 16 HG3 GLN 16 -18.940 30.607 -6.879 120 HE21 GLN 16 HE21 GLN 16 -21.070 32.186 -6.135 121 HE22 GLN 16 HE22 GLN 16 -22.535 31.383 -6.423 122 H MET 17 H MET 17 -15.041 28.046 -5.769 123 HA MET 17 HA MET 17 -15.371 25.242 -5.811 124 HB2 MET 17 HB2 MET 17 -13.152 25.204 -6.238 125 HB3 MET 17 HB3 MET 17 -13.313 26.953 -6.360 126 HG2 MET 17 HG2 MET 17 -12.946 26.909 -3.765 127 HG3 MET 17 HG3 MET 17 -12.266 25.313 -4.071 128 HE1 MET 17 HE1 MET 17 -11.062 29.433 -5.159 129 HE2 MET 17 HE2 MET 17 -12.664 28.702 -5.181 130 HE3 MET 17 HE3 MET 17 -11.674 28.680 -6.637 131 H LEU 18 H LEU 18 -15.045 27.521 -3.215 132 HA LEU 18 HA LEU 18 -14.102 25.876 -1.178 133 HB2 LEU 18 HB2 LEU 18 -15.641 27.489 0.263 134 HB3 LEU 18 HB3 LEU 18 -14.142 28.040 -0.472 135 HG LEU 18 HG LEU 18 -15.312 29.030 -2.328 136 HD11 LEU 18 HD11 LEU 18 -17.639 27.473 -1.225 137 HD12 LEU 18 HD12 LEU 18 -17.024 27.527 -2.876 138 HD13 LEU 18 HD13 LEU 18 -17.912 28.897 -2.226 139 HD21 LEU 18 HD21 LEU 18 -16.859 30.608 -1.136 140 HD22 LEU 18 HD22 LEU 18 -15.297 30.423 -0.341 141 HD23 LEU 18 HD23 LEU 18 -16.716 29.595 0.300 142 H SER 19 H SER 19 -17.231 25.913 -2.705 143 HA SER 19 HA SER 19 -18.698 24.658 -0.595 144 HB2 SER 19 HB2 SER 19 -19.766 25.873 -2.492 145 HB3 SER 19 HB3 SER 19 -19.231 24.594 -3.578 146 HG SER 19 HG SER 19 -20.472 23.136 -2.379 147 H HIS 20 H HIS 20 -17.413 23.399 -3.673 148 HA HIS 20 HA HIS 20 -17.818 20.657 -3.042 149 HB2 HIS 20 HB2 HIS 20 -15.573 21.394 -4.854 150 HB3 HIS 20 HB3 HIS 20 -16.881 20.236 -5.094 151 HD2 HIS 20 HD2 HIS 20 -19.486 22.170 -4.973 152 HE1 HIS 20 HE1 HIS 20 -17.491 24.615 -7.774 153 HE2 HIS 20 HE2 HIS 20 -19.736 24.101 -6.709 154 H CYS 21 H CYS 21 -15.236 22.965 -2.629 155 HA CYS 21 HA CYS 21 -13.202 21.250 -1.741 156 HB2 CYS 21 HB2 CYS 21 -13.825 24.164 -1.494 157 HB3 CYS 21 HB3 CYS 21 -12.538 23.491 -0.484 158 H ARG 22 H ARG 22 -15.809 22.953 -0.018 159 HA ARG 22 HA ARG 22 -15.072 22.241 2.605 160 HB2 ARG 22 HB2 ARG 22 -16.830 23.897 2.164 161 HB3 ARG 22 HB3 ARG 22 -17.844 22.649 1.443 162 HG2 ARG 22 HG2 ARG 22 -18.603 22.949 3.708 163 HG3 ARG 22 HG3 ARG 22 -17.737 21.415 3.654 164 HD2 ARG 22 HD2 ARG 22 -15.682 22.634 4.456 165 HD3 ARG 22 HD3 ARG 22 -16.681 24.069 4.668 166 HE ARG 22 HE ARG 22 -17.544 23.109 6.594 167 HH11 ARG 22 HH21 ARG 22 -16.022 20.704 4.613 168 HH12 ARG 22 HH22 ARG 22 -16.168 19.447 5.794 169 HH21 ARG 22 HH11 ARG 22 -17.733 21.459 8.141 170 HH22 ARG 22 HH12 ARG 22 -17.132 19.873 7.788 171 H MET 23 H MET 23 -17.149 20.632 0.211 172 HA MET 23 HA MET 23 -17.842 18.380 1.747 173 HB2 MET 23 HB2 MET 23 -18.809 18.992 -0.501 174 HB3 MET 23 HB3 MET 23 -17.314 18.415 -1.238 175 HG2 MET 23 HG2 MET 23 -17.694 16.197 -0.108 176 HG3 MET 23 HG3 MET 23 -19.271 16.792 0.412 177 HE1 MET 23 HE1 MET 23 -21.337 17.270 -2.645 178 HE2 MET 23 HE2 MET 23 -20.217 18.575 -2.263 179 HE3 MET 23 HE3 MET 23 -20.988 17.676 -0.959 180 H TYR 24 H TYR 24 -15.090 19.031 -0.382 181 HA TYR 24 HA TYR 24 -13.782 16.574 -0.221 182 HB2 TYR 24 HB2 TYR 24 -12.846 17.989 -1.789 183 HB3 TYR 24 HB3 TYR 24 -12.925 19.392 -0.734 184 HD1 TYR 24 HD2 TYR 24 -11.104 16.211 -1.370 185 HD2 TYR 24 HD1 TYR 24 -11.117 19.970 0.710 186 HE1 TYR 24 HE2 TYR 24 -8.737 15.858 -0.713 187 HE2 TYR 24 HE1 TYR 24 -8.754 19.618 1.363 188 HH TYR 24 HH TYR 24 -6.731 18.072 0.162 189 H MET 25 H MET 25 -13.622 19.384 1.955 190 HA MET 25 HA MET 25 -11.607 18.439 3.674 191 HB2 MET 25 HB2 MET 25 -13.958 20.252 4.209 192 HB3 MET 25 HB3 MET 25 -12.628 20.002 5.339 193 HG2 MET 25 HG2 MET 25 -12.285 20.992 2.493 194 HG3 MET 25 HG3 MET 25 -12.322 22.038 3.909 195 HE1 MET 25 HE1 MET 25 -9.287 21.413 5.881 196 HE2 MET 25 HE2 MET 25 -10.551 20.217 6.154 197 HE3 MET 25 HE3 MET 25 -10.989 21.890 5.814 198 H ARG 26 H ARG 26 -15.161 18.090 3.896 199 HA ARG 26 HA ARG 26 -15.177 16.664 6.335 200 HB2 ARG 26 HB2 ARG 26 -17.177 17.694 5.238 201 HB3 ARG 26 HB3 ARG 26 -17.143 16.393 4.049 202 HG2 ARG 26 HG2 ARG 26 -17.352 14.737 5.900 203 HG3 ARG 26 HG3 ARG 26 -17.481 16.070 7.047 204 HD2 ARG 26 HD2 ARG 26 -19.366 15.560 4.726 205 HD3 ARG 26 HD3 ARG 26 -19.709 15.208 6.416 206 HE ARG 26 HE ARG 26 -19.887 17.535 6.836 207 HH11 ARG 26 HH21 ARG 26 -19.069 16.796 3.543 208 HH12 ARG 26 HH22 ARG 26 -19.454 18.378 2.955 209 HH21 ARG 26 HH11 ARG 26 -20.384 19.603 6.060 210 HH22 ARG 26 HH12 ARG 26 -20.196 19.964 4.377 211 H GLN 27 H GLN 27 -15.264 15.523 2.983 212 HA GLN 27 HA GLN 27 -15.162 12.757 3.538 213 HB2 GLN 27 HB2 GLN 27 -14.772 14.486 1.164 214 HB3 GLN 27 HB3 GLN 27 -13.925 12.941 1.118 215 HG2 GLN 27 HG2 GLN 27 -16.086 12.547 0.165 216 HG3 GLN 27 HG3 GLN 27 -16.117 11.841 1.778 217 HE21 GLN 27 HE21 GLN 27 -16.130 15.186 2.155 218 HE22 GLN 27 HE22 GLN 27 -17.819 15.417 2.278 219 H GLN 28 H GLN 28 -12.807 15.293 3.351 220 HA GLN 28 HA GLN 28 -10.485 13.731 3.121 221 HB2 GLN 28 HB2 GLN 28 -10.165 15.965 2.666 222 HB3 GLN 28 HB3 GLN 28 -11.167 16.492 4.005 223 HG2 GLN 28 HG2 GLN 28 -8.575 15.041 4.525 224 HG3 GLN 28 HG3 GLN 28 -8.570 16.764 4.172 225 HE21 GLN 28 HE21 GLN 28 -8.405 14.800 6.761 226 HE22 GLN 28 HE22 GLN 28 -9.261 15.715 7.905 227 H MET 29 H MET 29 -12.386 14.844 5.905 228 HA MET 29 HA MET 29 -10.608 13.899 7.906 229 HB2 MET 29 HB2 MET 29 -13.618 14.250 7.981 230 HB3 MET 29 HB3 MET 29 -12.608 13.942 9.392 231 HG2 MET 29 HG2 MET 29 -11.283 16.019 8.760 232 HG3 MET 29 HG3 MET 29 -12.545 16.364 7.580 233 HE1 MET 29 HE1 MET 29 -15.583 17.118 9.120 234 HE2 MET 29 HE2 MET 29 -15.446 15.467 9.718 235 HE3 MET 29 HE3 MET 29 -14.846 15.866 8.112 236 H GLU 30 H GLU 30 -13.533 12.457 6.440 237 HA GLU 30 HA GLU 30 -13.252 9.931 7.741 238 HB2 GLU 30 HB2 GLU 30 -14.711 10.738 5.215 239 HB3 GLU 30 HB3 GLU 30 -14.789 9.120 5.909 240 HG2 GLU 30 HG2 GLU 30 -16.615 10.040 6.966 241 HG3 GLU 30 HG3 GLU 30 -15.370 10.506 8.122 242 H GLU 31 H GLU 31 -12.006 11.297 4.790 243 HA GLU 31 HA GLU 31 -11.099 8.979 3.496 244 HB2 GLU 31 HB2 GLU 31 -11.290 11.065 2.311 245 HB3 GLU 31 HB3 GLU 31 -10.121 11.832 3.381 246 HG2 GLU 31 HG2 GLU 31 -8.365 10.346 2.579 247 HG3 GLU 31 HG3 GLU 31 -9.513 9.490 1.558 248 H SER 32 H SER 32 -9.916 10.467 6.330 249 HA SER 32 HA SER 32 -7.221 10.245 6.346 250 HB2 SER 32 HB2 SER 32 -7.359 9.620 8.719 251 HB3 SER 32 HB3 SER 32 -8.538 10.866 8.320 252 HG SER 32 HG SER 32 -9.067 8.074 8.373 253 H THR 33 H THR 33 -9.481 7.560 6.287 254 HA THR 33 HA THR 33 -7.617 5.494 6.857 255 HB THR 33 HB THR 33 -9.355 3.986 5.983 256 HG1 THR 33 HG1 THR 33 -10.224 6.391 4.898 257 HG21 THR 33 HG21 THR 33 -11.081 4.569 7.582 258 HG22 THR 33 HG22 THR 33 -10.552 6.251 7.602 259 HG23 THR 33 HG23 THR 33 -9.516 4.991 8.277 260 H TYR 34 H TYR 34 -9.074 6.465 3.735 261 HA TYR 34 HA TYR 34 -6.981 4.974 2.328 262 HB2 TYR 34 HB2 TYR 34 -8.379 4.951 0.424 263 HB3 TYR 34 HB3 TYR 34 -9.420 4.617 1.802 264 HD1 TYR 34 HD2 TYR 34 -10.989 6.338 2.644 265 HD2 TYR 34 HD1 TYR 34 -8.577 7.005 -0.849 266 HE1 TYR 34 HE2 TYR 34 -12.444 8.240 2.000 267 HE2 TYR 34 HE1 TYR 34 -10.034 8.904 -1.492 268 HH TYR 34 HH TYR 34 -11.776 10.551 0.245 269 H GLN 35 H GLN 35 -7.033 7.951 3.484 270 HA GLN 35 HA GLN 35 -6.775 9.931 1.754 271 HB2 GLN 35 HB2 GLN 35 -4.861 10.829 2.953 272 HB3 GLN 35 HB3 GLN 35 -6.099 10.193 4.040 273 HG2 GLN 35 HG2 GLN 35 -4.536 7.973 3.647 274 HG3 GLN 35 HG3 GLN 35 -3.332 9.260 3.574 275 HE21 GLN 35 HE21 GLN 35 -5.509 10.740 5.399 276 HE22 GLN 35 HE22 GLN 35 -5.123 10.166 6.932 277 H THR 36 H THR 36 -4.518 7.204 1.765 278 HA THR 36 HA THR 36 -2.534 8.340 0.131 279 HB THR 36 HB THR 36 -2.120 5.938 -0.591 280 HG1 THR 36 HG1 THR 36 -4.367 5.596 1.097 281 HG21 THR 36 HG21 THR 36 -1.369 5.241 1.632 282 HG22 THR 36 HG22 THR 36 -2.434 6.426 2.385 283 HG23 THR 36 HG23 THR 36 -1.064 6.963 1.412 284 H MET 37 H MET 37 -3.031 9.422 -1.653 285 HA MET 37 HA MET 37 -5.284 9.048 -3.277 286 HB2 MET 37 HB2 MET 37 -2.613 10.299 -3.948 287 HB3 MET 37 HB3 MET 37 -4.076 10.463 -4.919 288 HG2 MET 37 HG2 MET 37 -4.516 11.083 -2.082 289 HG3 MET 37 HG3 MET 37 -3.331 12.144 -2.845 290 HE1 MET 37 HE1 MET 37 -5.056 13.957 -5.595 291 HE2 MET 37 HE2 MET 37 -4.231 12.428 -5.885 292 HE3 MET 37 HE3 MET 37 -3.588 13.555 -4.695 293 HA PRO 38 HA PRO 38 -3.664 5.511 -5.554 294 HB2 PRO 38 HB2 PRO 38 -6.029 4.437 -6.213 295 HB3 PRO 38 HB3 PRO 38 -5.448 4.393 -4.536 296 HG2 PRO 38 HG2 PRO 38 -7.514 6.123 -5.775 297 HG3 PRO 38 HG3 PRO 38 -7.435 5.447 -4.141 298 HD2 PRO 38 HD2 PRO 38 -6.696 8.078 -4.901 299 HD3 PRO 38 HD3 PRO 38 -6.360 7.297 -3.339 300 H ARG 39 H ARG 39 -3.234 5.269 -7.732 301 HA ARG 39 HA ARG 39 -3.835 7.356 -9.554 302 HB2 ARG 39 HB2 ARG 39 -3.084 4.541 -10.326 303 HB3 ARG 39 HB3 ARG 39 -2.771 6.023 -11.222 304 HG2 ARG 39 HG2 ARG 39 -1.584 5.418 -8.496 305 HG3 ARG 39 HG3 ARG 39 -0.742 5.169 -10.023 306 HD2 ARG 39 HD2 ARG 39 -1.092 7.597 -10.548 307 HD3 ARG 39 HD3 ARG 39 -1.778 7.804 -8.939 308 HE ARG 39 HE ARG 39 0.371 7.688 -8.055 309 HH11 ARG 39 HH21 ARG 39 0.324 6.602 -11.348 310 HH12 ARG 39 HH22 ARG 39 2.049 6.529 -11.488 311 HH21 ARG 39 HH11 ARG 39 2.628 7.591 -8.240 312 HH22 ARG 39 HH12 ARG 39 3.352 7.087 -9.731 313 H ARG 40 H ARG 40 -5.218 4.166 -8.974 314 HA ARG 40 HA ARG 40 -6.960 4.161 -11.209 315 HB2 ARG 40 HB2 ARG 40 -7.097 2.660 -8.586 316 HB3 ARG 40 HB3 ARG 40 -8.138 2.342 -9.974 317 HG2 ARG 40 HG2 ARG 40 -5.118 2.301 -10.137 318 HG3 ARG 40 HG3 ARG 40 -6.083 0.862 -9.811 319 HD2 ARG 40 HD2 ARG 40 -7.329 1.263 -11.936 320 HD3 ARG 40 HD3 ARG 40 -6.261 2.622 -12.273 321 HE ARG 40 HE ARG 40 -5.627 -0.175 -12.570 322 HH11 ARG 40 HH21 ARG 40 -4.382 3.003 -11.962 323 HH12 ARG 40 HH22 ARG 40 -2.797 2.643 -12.559 324 HH21 ARG 40 HH11 ARG 40 -3.550 -0.647 -13.351 325 HH22 ARG 40 HH12 ARG 40 -2.327 0.579 -13.345 326 H GLY 41 H GLY 41 -8.176 5.853 -11.449 327 HA2 GLY 41 HA2 GLY 41 -9.957 7.300 -11.176 328 HA3 GLY 41 HA3 GLY 41 -10.598 6.131 -10.027 329 H MET 42 H MET 42 -8.540 8.958 -10.404 330 HA MET 42 HA MET 42 -7.708 9.346 -7.766 331 HB2 MET 42 HB2 MET 42 -8.404 11.389 -9.890 332 HB3 MET 42 HB3 MET 42 -7.551 11.756 -8.390 333 HG2 MET 42 HG2 MET 42 -5.812 10.061 -9.033 334 HG3 MET 42 HG3 MET 42 -6.625 9.883 -10.588 335 HE1 MET 42 HE1 MET 42 -7.581 13.075 -11.089 336 HE2 MET 42 HE2 MET 42 -7.199 11.683 -12.100 337 HE3 MET 42 HE3 MET 42 -6.327 13.195 -12.330 338 H GLU 43 H GLU 43 -8.491 11.179 -6.331 339 HA GLU 43 HA GLU 43 -11.171 10.644 -5.522 340 HB2 GLU 43 HB2 GLU 43 -9.684 13.074 -4.588 341 HB3 GLU 43 HB3 GLU 43 -10.719 11.975 -3.675 342 HG2 GLU 43 HG2 GLU 43 -8.919 10.183 -4.147 343 HG3 GLU 43 HG3 GLU 43 -7.880 11.529 -4.609 344 HA PRO 44 HA PRO 44 -12.998 13.487 -8.501 345 HB2 PRO 44 HB2 PRO 44 -15.503 12.860 -7.070 346 HB3 PRO 44 HB3 PRO 44 -15.083 12.604 -8.772 347 HG2 PRO 44 HG2 PRO 44 -15.312 10.586 -7.011 348 HG3 PRO 44 HG3 PRO 44 -14.189 10.545 -8.380 349 HD2 PRO 44 HD2 PRO 44 -13.612 11.029 -5.481 350 HD3 PRO 44 HD3 PRO 44 -12.637 10.184 -6.704 351 H HIS 45 H HIS 45 -13.702 13.529 -5.021 352 HA HIS 45 HA HIS 45 -15.008 15.962 -4.779 353 HB2 HIS 45 HB2 HIS 45 -12.966 14.725 -2.917 354 HB3 HIS 45 HB3 HIS 45 -14.029 16.066 -2.490 355 HD2 HIS 45 HD2 HIS 45 -14.155 12.210 -2.718 356 HE1 HIS 45 HE1 HIS 45 -18.117 13.526 -2.090 357 HE2 HIS 45 HE2 HIS 45 -16.601 11.489 -2.157 358 H MET 46 H MET 46 -11.539 15.311 -4.945 359 HA MET 46 HA MET 46 -10.644 17.976 -4.583 360 HB2 MET 46 HB2 MET 46 -9.372 15.636 -6.036 361 HB3 MET 46 HB3 MET 46 -8.533 17.118 -5.581 362 HG2 MET 46 HG2 MET 46 -8.897 16.683 -3.230 363 HG3 MET 46 HG3 MET 46 -9.947 15.316 -3.596 364 HE1 MET 46 HE1 MET 46 -6.461 16.754 -3.298 365 HE2 MET 46 HE2 MET 46 -6.476 16.563 -5.048 366 HE3 MET 46 HE3 MET 46 -5.389 15.582 -4.072 367 H SER 47 H SER 47 -11.459 16.058 -7.429 368 HA SER 47 HA SER 47 -10.650 17.843 -9.433 369 HB2 SER 47 HB2 SER 47 -12.939 15.879 -9.561 370 HB3 SER 47 HB3 SER 47 -12.044 16.547 -10.922 371 HG SER 47 HG SER 47 -10.864 15.069 -8.805 372 H GLU 48 H GLU 48 -13.636 17.736 -7.551 373 HA GLU 48 HA GLU 48 -15.268 19.311 -9.183 374 HB2 GLU 48 HB2 GLU 48 -15.198 19.121 -6.167 375 HB3 GLU 48 HB3 GLU 48 -16.498 19.867 -7.095 376 HG2 GLU 48 HG2 GLU 48 -16.826 17.705 -8.301 377 HG3 GLU 48 HG3 GLU 48 -15.608 16.975 -7.257 378 H CYS 49 H CYS 49 -12.938 20.351 -6.703 379 HA CYS 49 HA CYS 49 -13.622 23.117 -6.913 380 HB2 CYS 49 HB2 CYS 49 -11.314 21.632 -5.682 381 HB3 CYS 49 HB3 CYS 49 -11.349 23.394 -5.729 382 H CYS 50 H CYS 50 -11.479 21.026 -8.695 383 HA CYS 50 HA CYS 50 -9.596 22.764 -9.722 384 HB2 CYS 50 HB2 CYS 50 -9.353 20.470 -10.222 385 HB3 CYS 50 HB3 CYS 50 -10.942 20.393 -10.988 386 H GLU 51 H GLU 51 -12.870 22.205 -11.043 387 HA GLU 51 HA GLU 51 -12.595 23.623 -13.409 388 HB2 GLU 51 HB2 GLU 51 -14.987 23.225 -11.619 389 HB3 GLU 51 HB3 GLU 51 -15.095 24.068 -13.164 390 HG2 GLU 51 HG2 GLU 51 -15.612 21.816 -13.691 391 HG3 GLU 51 HG3 GLU 51 -13.933 22.011 -14.184 392 H GLN 52 H GLN 52 -13.170 24.889 -10.166 393 HA GLN 52 HA GLN 52 -13.881 27.515 -10.880 394 HB2 GLN 52 HB2 GLN 52 -12.728 26.220 -8.449 395 HB3 GLN 52 HB3 GLN 52 -12.740 27.982 -8.546 396 HG2 GLN 52 HG2 GLN 52 -14.807 27.342 -7.518 397 HG3 GLN 52 HG3 GLN 52 -15.175 27.826 -9.164 398 HE21 GLN 52 HE21 GLN 52 -16.499 26.378 -10.264 399 HE22 GLN 52 HE22 GLN 52 -16.613 24.718 -9.930 400 H LEU 53 H LEU 53 -10.705 26.419 -9.700 401 HA LEU 53 HA LEU 53 -9.290 28.770 -10.315 402 HB2 LEU 53 HB2 LEU 53 -7.936 26.110 -10.510 403 HB3 LEU 53 HB3 LEU 53 -7.368 27.588 -9.767 404 HG LEU 53 HG LEU 53 -7.855 26.419 -7.853 405 HD11 LEU 53 HD11 LEU 53 -9.837 28.273 -8.453 406 HD12 LEU 53 HD12 LEU 53 -9.590 27.509 -6.890 407 HD13 LEU 53 HD13 LEU 53 -10.757 26.833 -8.020 408 HD21 LEU 53 HD21 LEU 53 -9.927 24.986 -9.528 409 HD22 LEU 53 HD22 LEU 53 -9.704 24.684 -7.805 410 HD23 LEU 53 HD23 LEU 53 -8.394 24.351 -8.936 411 H GLU 54 H GLU 54 -9.404 25.694 -11.990 412 HA GLU 54 HA GLU 54 -7.908 26.315 -14.226 413 HB2 GLU 54 HB2 GLU 54 -8.588 24.077 -13.541 414 HB3 GLU 54 HB3 GLU 54 -10.263 24.438 -13.952 415 HG2 GLU 54 HG2 GLU 54 -9.300 23.239 -15.824 416 HG3 GLU 54 HG3 GLU 54 -9.484 24.919 -16.319 417 H GLY 55 H GLY 55 -11.265 27.028 -13.497 418 HA2 GLY 55 HA2 GLY 55 -11.836 28.009 -16.183 419 HA3 GLY 55 HA3 GLY 55 -12.932 28.031 -14.800 420 H MET 56 H MET 56 -10.576 29.176 -13.220 421 HA MET 56 HA MET 56 -11.214 31.977 -13.683 422 HB2 MET 56 HB2 MET 56 -11.193 31.328 -11.396 423 HB3 MET 56 HB3 MET 56 -9.653 30.492 -11.567 424 HG2 MET 56 HG2 MET 56 -8.509 32.622 -11.958 425 HG3 MET 56 HG3 MET 56 -10.040 33.488 -11.856 426 HE1 MET 56 HE1 MET 56 -11.001 34.315 -10.271 427 HE2 MET 56 HE2 MET 56 -9.703 35.048 -9.335 428 HE3 MET 56 HE3 MET 56 -10.909 34.053 -8.525 429 H ASP 57 H ASP 57 -9.633 33.612 -14.038 430 HA ASP 57 HA ASP 57 -7.778 33.154 -16.044 431 HB2 ASP 57 HB2 ASP 57 -7.722 35.294 -13.902 432 HB3 ASP 57 HB3 ASP 57 -6.776 35.328 -15.388 433 H GLU 58 H GLU 58 -5.618 32.656 -16.129 434 HA GLU 58 HA GLU 58 -4.524 30.976 -14.209 435 HB2 GLU 58 HB2 GLU 58 -3.670 30.976 -16.460 436 HB3 GLU 58 HB3 GLU 58 -3.132 32.650 -16.299 437 HG2 GLU 58 HG2 GLU 58 -1.204 31.281 -15.926 438 HG3 GLU 58 HG3 GLU 58 -1.698 31.906 -14.357 439 H SER 59 H SER 59 -3.613 34.381 -14.818 440 HA SER 59 HA SER 59 -1.746 34.649 -12.773 441 HB2 SER 59 HB2 SER 59 -3.696 36.738 -13.777 442 HB3 SER 59 HB3 SER 59 -2.222 37.063 -12.871 443 HG SER 59 HG SER 59 -2.316 35.650 -15.332 444 H CYS 60 H CYS 60 -5.213 34.717 -12.718 445 HA CYS 60 HA CYS 60 -5.469 35.647 -10.002 446 HB2 CYS 60 HB2 CYS 60 -7.460 34.316 -11.847 447 HB3 CYS 60 HB3 CYS 60 -7.852 34.992 -10.268 448 H ARG 61 H ARG 61 -4.983 32.599 -11.548 449 HA ARG 61 HA ARG 61 -6.048 30.829 -9.657 450 HB2 ARG 61 HB2 ARG 61 -5.168 30.254 -11.947 451 HB3 ARG 61 HB3 ARG 61 -3.539 30.394 -11.289 452 HG2 ARG 61 HG2 ARG 61 -4.229 28.691 -9.528 453 HG3 ARG 61 HG3 ARG 61 -5.692 28.431 -10.477 454 HD2 ARG 61 HD2 ARG 61 -2.838 28.024 -11.400 455 HD3 ARG 61 HD3 ARG 61 -4.045 26.772 -11.132 456 HE ARG 61 HE ARG 61 -3.925 28.624 -13.399 457 HH11 ARG 61 HH21 ARG 61 -5.646 26.180 -11.636 458 HH12 ARG 61 HH22 ARG 61 -6.653 25.741 -12.974 459 HH21 ARG 61 HH11 ARG 61 -5.241 28.048 -15.142 460 HH22 ARG 61 HH12 ARG 61 -6.422 26.797 -14.959 461 H CYS 62 H CYS 62 -2.844 32.384 -9.805 462 HA CYS 62 HA CYS 62 -1.618 30.984 -7.710 463 HB2 CYS 62 HB2 CYS 62 -1.057 33.902 -7.970 464 HB3 CYS 62 HB3 CYS 62 0.063 32.548 -7.847 465 H GLU 63 H GLU 63 -3.157 34.195 -7.548 466 HA GLU 63 HA GLU 63 -3.158 34.426 -4.743 467 HB2 GLU 63 HB2 GLU 63 -3.481 36.319 -6.304 468 HB3 GLU 63 HB3 GLU 63 -5.067 35.680 -6.730 469 HG2 GLU 63 HG2 GLU 63 -5.738 35.858 -4.331 470 HG3 GLU 63 HG3 GLU 63 -4.177 36.591 -3.976 471 H GLY 64 H GLY 64 -5.517 33.069 -6.982 472 HA2 GLY 64 HA2 GLY 64 -7.741 32.832 -5.358 473 HA3 GLY 64 HA3 GLY 64 -7.345 31.721 -6.659 474 H LEU 65 H LEU 65 -5.415 30.169 -5.947 475 HA LEU 65 HA LEU 65 -6.454 28.425 -4.047 476 HB2 LEU 65 HB2 LEU 65 -3.610 28.704 -5.035 477 HB3 LEU 65 HB3 LEU 65 -4.211 27.335 -4.093 478 HG LEU 65 HG LEU 65 -5.295 28.244 -6.780 479 HD11 LEU 65 HD11 LEU 65 -3.098 27.148 -6.951 480 HD12 LEU 65 HD12 LEU 65 -4.363 26.093 -7.580 481 HD13 LEU 65 HD13 LEU 65 -3.686 25.799 -5.978 482 HD21 LEU 65 HD21 LEU 65 -6.194 26.252 -4.730 483 HD22 LEU 65 HD22 LEU 65 -6.371 25.820 -6.430 484 HD23 LEU 65 HD23 LEU 65 -7.158 27.267 -5.803 485 H ARG 66 H ARG 66 -3.803 30.784 -3.623 486 HA ARG 66 HA ARG 66 -3.202 30.163 -0.957 487 HB2 ARG 66 HB2 ARG 66 -3.066 32.830 -2.389 488 HB3 ARG 66 HB3 ARG 66 -2.312 32.484 -0.831 489 HG2 ARG 66 HG2 ARG 66 -1.028 30.630 -1.915 490 HG3 ARG 66 HG3 ARG 66 -1.709 31.113 -3.469 491 HD2 ARG 66 HD2 ARG 66 -0.771 33.443 -2.998 492 HD3 ARG 66 HD3 ARG 66 0.122 32.712 -1.671 493 HE ARG 66 HE ARG 66 1.379 31.441 -3.270 494 HH11 ARG 66 HH21 ARG 66 -0.875 33.693 -4.655 495 HH12 ARG 66 HH22 ARG 66 -0.108 33.704 -6.207 496 HH21 ARG 66 HH11 ARG 66 2.370 31.460 -5.306 497 HH22 ARG 66 HH12 ARG 66 1.721 32.442 -6.576 498 H MET 67 H MET 67 -5.425 32.605 -2.267 499 HA MET 67 HA MET 67 -6.405 33.573 0.187 500 HB2 MET 67 HB2 MET 67 -6.800 34.890 -1.732 501 HB3 MET 67 HB3 MET 67 -7.510 33.542 -2.617 502 HG2 MET 67 HG2 MET 67 -9.435 33.517 -1.104 503 HG3 MET 67 HG3 MET 67 -8.720 34.815 -0.145 504 HE1 MET 67 HE1 MET 67 -7.451 36.787 -2.363 505 HE2 MET 67 HE2 MET 67 -8.271 37.074 -0.830 506 HE3 MET 67 HE3 MET 67 -8.820 37.904 -2.284 507 H MET 68 H MET 68 -7.835 31.208 -2.052 508 HA MET 68 HA MET 68 -10.110 30.612 -0.539 509 HB2 MET 68 HB2 MET 68 -9.795 30.036 -2.917 510 HB3 MET 68 HB3 MET 68 -8.616 28.815 -2.452 511 HG2 MET 68 HG2 MET 68 -10.384 27.400 -2.387 512 HG3 MET 68 HG3 MET 68 -10.770 28.177 -0.850 513 HE1 MET 68 HE1 MET 68 -12.299 29.880 -0.401 514 HE2 MET 68 HE2 MET 68 -13.512 30.595 -1.460 515 HE3 MET 68 HE3 MET 68 -11.834 31.114 -1.580 516 H MET 69 H MET 69 -6.916 29.024 -0.552 517 HA MET 69 HA MET 69 -7.452 26.836 1.043 518 HB2 MET 69 HB2 MET 69 -5.251 27.347 -0.014 519 HB3 MET 69 HB3 MET 69 -4.974 28.566 1.230 520 HG2 MET 69 HG2 MET 69 -5.239 26.786 2.969 521 HG3 MET 69 HG3 MET 69 -5.379 25.593 1.679 522 HE1 MET 69 HE1 MET 69 -1.763 27.929 3.130 523 HE2 MET 69 HE2 MET 69 -3.457 28.066 3.594 524 HE3 MET 69 HE3 MET 69 -2.893 28.822 2.105 525 H ARG 70 H ARG 70 -6.221 29.961 2.256 526 HA ARG 70 HA ARG 70 -6.597 29.406 4.983 527 HB2 ARG 70 HB2 ARG 70 -5.193 31.249 4.084 528 HB3 ARG 70 HB3 ARG 70 -6.663 32.110 3.624 529 HG2 ARG 70 HG2 ARG 70 -7.391 32.179 5.963 530 HG3 ARG 70 HG3 ARG 70 -5.978 31.243 6.451 531 HD2 ARG 70 HD2 ARG 70 -5.504 33.570 6.889 532 HD3 ARG 70 HD3 ARG 70 -4.529 33.072 5.509 533 HE ARG 70 HE ARG 70 -6.989 34.137 4.589 534 HH11 ARG 70 HH21 ARG 70 -4.008 35.056 6.102 535 HH12 ARG 70 HH22 ARG 70 -4.016 36.661 5.450 536 HH21 ARG 70 HH11 ARG 70 -6.999 36.238 3.736 537 HH22 ARG 70 HH12 ARG 70 -5.707 37.329 4.112 538 H MET 71 H MET 71 -8.752 30.904 2.602 539 HA MET 71 HA MET 71 -10.765 31.749 4.372 540 HB2 MET 71 HB2 MET 71 -10.421 32.297 1.862 541 HB3 MET 71 HB3 MET 71 -11.345 30.823 1.572 542 HG2 MET 71 HG2 MET 71 -12.862 32.063 3.501 543 HG3 MET 71 HG3 MET 71 -12.252 33.438 2.583 544 HE1 MET 71 HE1 MET 71 -15.703 30.957 1.845 545 HE2 MET 71 HE2 MET 71 -14.598 31.055 3.211 546 HE3 MET 71 HE3 MET 71 -14.330 29.849 1.957 547 H MET 72 H MET 72 -10.200 28.661 2.751 548 HA MET 72 HA MET 72 -12.662 27.463 3.223 549 HB2 MET 72 HB2 MET 72 -9.885 26.353 2.959 550 HB3 MET 72 HB3 MET 72 -11.250 25.291 3.294 551 HG2 MET 72 HG2 MET 72 -11.038 27.197 0.946 552 HG3 MET 72 HG3 MET 72 -10.834 25.449 0.868 553 HE1 MET 72 HE1 MET 72 -13.260 24.593 3.114 554 HE2 MET 72 HE2 MET 72 -12.411 23.834 1.770 555 HE3 MET 72 HE3 MET 72 -14.166 23.961 1.735 556 H GLN 73 H GLN 73 -9.774 27.507 5.283 557 HA GLN 73 HA GLN 73 -10.792 25.910 7.362 558 HB2 GLN 73 HB2 GLN 73 -8.811 28.189 7.573 559 HB3 GLN 73 HB3 GLN 73 -9.017 26.877 8.731 560 HG2 GLN 73 HG2 GLN 73 -7.992 26.710 5.890 561 HG3 GLN 73 HG3 GLN 73 -7.156 26.251 7.372 562 HE21 GLN 73 HE21 GLN 73 -9.117 25.069 4.827 563 HE22 GLN 73 HE22 GLN 73 -9.493 23.563 5.506 564 H GLN 74 H GLN 74 -10.898 29.403 6.829 565 HA GLN 74 HA GLN 74 -12.176 30.098 9.244 566 HB2 GLN 74 HB2 GLN 74 -11.159 31.868 8.110 567 HB3 GLN 74 HB3 GLN 74 -11.907 31.439 6.574 568 HG2 GLN 74 HG2 GLN 74 -13.831 31.998 8.734 569 HG3 GLN 74 HG3 GLN 74 -12.842 33.387 8.280 570 HE21 GLN 74 HE21 GLN 74 -13.451 30.956 5.837 571 HE22 GLN 74 HE22 GLN 74 -14.581 31.853 4.953 572 H LYS 75 H LYS 75 -13.475 29.191 6.081 573 HA LYS 75 HA LYS 75 -16.148 29.870 6.481 574 HB2 LYS 75 HB2 LYS 75 -15.160 29.121 4.322 575 HB3 LYS 75 HB3 LYS 75 -15.096 27.478 4.952 576 HG2 LYS 75 HG2 LYS 75 -17.118 27.579 3.705 577 HG3 LYS 75 HG3 LYS 75 -17.617 27.713 5.390 578 HD2 LYS 75 HD2 LYS 75 -17.769 30.149 5.185 579 HD3 LYS 75 HD3 LYS 75 -17.180 30.066 3.524 580 HE2 LYS 75 HE2 LYS 75 -19.592 30.259 3.450 581 HE3 LYS 75 HE3 LYS 75 -19.163 28.619 2.968 582 HZ1 LYS 75 HZ1 LYS 75 -19.877 29.363 5.746 583 HZ2 LYS 75 HZ2 LYS 75 -19.718 27.799 5.099 584 HZ3 LYS 75 HZ3 LYS 75 -21.009 28.794 4.619 585 H GLU 76 H GLU 76 -14.396 26.953 7.421 586 HA GLU 76 HA GLU 76 -16.242 26.391 9.539 587 HB2 GLU 76 HB2 GLU 76 -17.494 25.560 7.503 588 HB3 GLU 76 HB3 GLU 76 -16.200 24.386 7.274 589 HG2 GLU 76 HG2 GLU 76 -17.965 23.302 8.520 590 HG3 GLU 76 HG3 GLU 76 -16.616 23.569 9.619 591 H MET 77 H MET 77 -13.934 26.706 10.301 592 HA MET 77 HA MET 77 -11.878 24.907 9.776 593 HB2 MET 77 HB2 MET 77 -12.131 27.089 11.374 594 HB3 MET 77 HB3 MET 77 -12.056 25.802 12.579 595 HG2 MET 77 HG2 MET 77 -10.073 26.229 10.325 596 HG3 MET 77 HG3 MET 77 -9.799 26.597 12.020 597 HE1 MET 77 HE1 MET 77 -11.046 24.115 13.663 598 HE2 MET 77 HE2 MET 77 -9.635 25.156 13.837 599 HE3 MET 77 HE3 MET 77 -9.436 23.406 13.847 600 H GLN 78 H GLN 78 -12.515 22.807 9.632 601 HA GLN 78 HA GLN 78 -14.092 21.363 11.459 602 HB2 GLN 78 HB2 GLN 78 -11.804 20.341 9.753 603 HB3 GLN 78 HB3 GLN 78 -13.068 19.354 10.485 604 HG2 GLN 78 HG2 GLN 78 -14.772 20.614 9.182 605 HG3 GLN 78 HG3 GLN 78 -13.477 21.527 8.409 606 HE21 GLN 78 HE21 GLN 78 -15.505 19.359 7.409 607 HE22 GLN 78 HE22 GLN 78 -14.512 18.286 6.548 608 HA PRO 79 HA PRO 79 -11.065 20.899 14.688 609 HB2 PRO 79 HB2 PRO 79 -12.308 19.149 16.279 610 HB3 PRO 79 HB3 PRO 79 -13.042 20.733 15.942 611 HG2 PRO 79 HG2 PRO 79 -13.729 18.060 14.858 612 HG3 PRO 79 HG3 PRO 79 -14.780 19.435 15.228 613 HD2 PRO 79 HD2 PRO 79 -13.748 18.729 12.670 614 HD3 PRO 79 HD3 PRO 79 -14.610 20.226 13.090 615 H ARG 80 H ARG 80 -9.223 19.968 14.052 616 HA ARG 80 HA ARG 80 -8.621 17.305 14.661 617 HB2 ARG 80 HB2 ARG 80 -9.800 17.589 12.090 618 HB3 ARG 80 HB3 ARG 80 -8.081 17.284 11.838 619 HG2 ARG 80 HG2 ARG 80 -8.509 15.101 12.208 620 HG3 ARG 80 HG3 ARG 80 -8.806 15.515 13.891 621 HD2 ARG 80 HD2 ARG 80 -11.066 15.332 13.672 622 HD3 ARG 80 HD3 ARG 80 -11.070 16.051 12.063 623 HE ARG 80 HE ARG 80 -11.066 13.265 12.656 624 HH11 ARG 80 HH21 ARG 80 -9.759 15.650 10.510 625 HH12 ARG 80 HH22 ARG 80 -9.558 14.548 9.190 626 HH21 ARG 80 HH11 ARG 80 -10.801 11.819 10.930 627 HH22 ARG 80 HH12 ARG 80 -10.149 12.381 9.427 628 H GLY 81 H GLY 81 -6.464 17.341 15.139 629 HA2 GLY 81 HA2 GLY 81 -4.933 19.654 14.215 630 HA3 GLY 81 HA3 GLY 81 -4.460 18.529 15.479 631 H GLU 82 H GLU 82 -3.877 16.309 14.734 632 HA GLU 82 HA GLU 82 -1.772 16.425 12.894 633 HB2 GLU 82 HB2 GLU 82 -1.904 14.826 14.760 634 HB3 GLU 82 HB3 GLU 82 -3.204 13.975 13.927 635 HG2 GLU 82 HG2 GLU 82 -1.113 12.826 13.470 636 HG3 GLU 82 HG3 GLU 82 -1.662 13.602 11.990 637 H GLN 83 H GLN 83 -5.042 15.041 12.439 638 HA GLN 83 HA GLN 83 -4.551 13.814 9.984 639 HB2 GLN 83 HB2 GLN 83 -6.610 13.585 11.440 640 HB3 GLN 83 HB3 GLN 83 -7.176 15.095 10.725 641 HG2 GLN 83 HG2 GLN 83 -8.118 13.300 9.423 642 HG3 GLN 83 HG3 GLN 83 -6.848 14.037 8.450 643 HE21 GLN 83 HE21 GLN 83 -5.560 12.488 7.460 644 HE22 GLN 83 HE22 GLN 83 -5.177 10.971 8.119 645 H MET 84 H MET 84 -6.312 16.912 10.339 646 HA MET 84 HA MET 84 -6.161 17.537 7.602 647 HB2 MET 84 HB2 MET 84 -6.716 19.193 10.042 648 HB3 MET 84 HB3 MET 84 -6.650 19.918 8.431 649 HG2 MET 84 HG2 MET 84 -8.335 18.196 7.665 650 HG3 MET 84 HG3 MET 84 -8.491 17.673 9.340 651 HE1 MET 84 HE1 MET 84 -10.102 19.762 11.302 652 HE2 MET 84 HE2 MET 84 -8.896 21.015 11.022 653 HE3 MET 84 HE3 MET 84 -8.402 19.327 11.095 654 H ARG 85 H ARG 85 -3.910 18.240 10.241 655 HA ARG 85 HA ARG 85 -2.382 20.238 9.043 656 HB2 ARG 85 HB2 ARG 85 -2.016 19.392 11.355 657 HB3 ARG 85 HB3 ARG 85 -1.313 17.921 10.681 658 HG2 ARG 85 HG2 ARG 85 0.419 19.277 9.548 659 HG3 ARG 85 HG3 ARG 85 -0.282 20.741 10.235 660 HD2 ARG 85 HD2 ARG 85 1.534 20.153 11.668 661 HD3 ARG 85 HD3 ARG 85 0.070 19.683 12.527 662 HE ARG 85 HE ARG 85 0.789 17.423 11.151 663 HH11 ARG 85 HH21 ARG 85 2.353 19.587 13.361 664 HH12 ARG 85 HH22 ARG 85 3.411 18.378 14.009 665 HH21 ARG 85 HH11 ARG 85 2.177 15.840 11.997 666 HH22 ARG 85 HH12 ARG 85 3.311 16.260 13.237 667 H ARG 86 H ARG 86 -2.041 16.705 8.762 668 HA ARG 86 HA ARG 86 0.081 16.715 6.896 669 HB2 ARG 86 HB2 ARG 86 -2.111 14.681 7.388 670 HB3 ARG 86 HB3 ARG 86 -0.697 14.397 6.372 671 HG2 ARG 86 HG2 ARG 86 0.783 14.832 8.296 672 HG3 ARG 86 HG3 ARG 86 -0.623 15.127 9.316 673 HD2 ARG 86 HD2 ARG 86 0.087 12.853 9.695 674 HD3 ARG 86 HD3 ARG 86 -1.413 12.798 8.776 675 HE ARG 86 HE ARG 86 1.280 12.191 7.748 676 HH11 ARG 86 HH21 ARG 86 -2.153 12.438 7.274 677 HH12 ARG 86 HH22 ARG 86 -2.148 11.504 5.817 678 HH21 ARG 86 HH11 ARG 86 1.274 10.974 5.840 679 HH22 ARG 86 HH12 ARG 86 -0.215 10.679 5.006 680 H MET 87 H MET 87 -3.422 16.833 6.564 681 HA MET 87 HA MET 87 -3.688 16.462 3.815 682 HB2 MET 87 HB2 MET 87 -5.546 16.638 5.538 683 HB3 MET 87 HB3 MET 87 -5.361 18.389 5.424 684 HG2 MET 87 HG2 MET 87 -5.452 17.460 2.759 685 HG3 MET 87 HG3 MET 87 -6.723 16.590 3.609 686 HE1 MET 87 HE1 MET 87 -7.513 17.903 5.712 687 HE2 MET 87 HE2 MET 87 -8.852 18.950 5.255 688 HE3 MET 87 HE3 MET 87 -7.362 19.657 5.873 689 H MET 88 H MET 88 -2.492 19.236 5.584 690 HA MET 88 HA MET 88 -2.938 21.346 3.884 691 HB2 MET 88 HB2 MET 88 -1.610 21.437 6.009 692 HB3 MET 88 HB3 MET 88 -0.256 20.712 5.142 693 HG2 MET 88 HG2 MET 88 -1.114 22.857 3.527 694 HG3 MET 88 HG3 MET 88 -1.124 23.477 5.177 695 HE1 MET 88 HE1 MET 88 0.554 22.577 6.812 696 HE2 MET 88 HE2 MET 88 2.283 22.797 6.562 697 HE3 MET 88 HE3 MET 88 1.542 21.238 6.211 698 H ARG 89 H ARG 89 -0.245 19.018 3.654 699 HA ARG 89 HA ARG 89 0.770 19.910 1.170 700 HB2 ARG 89 HB2 ARG 89 0.856 17.156 2.438 701 HB3 ARG 89 HB3 ARG 89 1.855 17.683 1.081 702 HG2 ARG 89 HG2 ARG 89 2.789 19.499 2.503 703 HG3 ARG 89 HG3 ARG 89 1.839 18.898 3.861 704 HD2 ARG 89 HD2 ARG 89 3.983 17.363 2.366 705 HD3 ARG 89 HD3 ARG 89 4.124 18.025 3.992 706 HE ARG 89 HE ARG 89 2.835 15.568 3.260 707 HH11 ARG 89 HH21 ARG 89 2.763 18.251 5.457 708 HH12 ARG 89 HH22 ARG 89 1.976 17.366 6.721 709 HH21 ARG 89 HH11 ARG 89 1.803 14.413 4.916 710 HH22 ARG 89 HH12 ARG 89 1.433 15.198 6.415 711 H LEU 90 H LEU 90 -1.653 17.515 2.067 712 HA LEU 90 HA LEU 90 -2.170 16.373 -0.436 713 HB2 LEU 90 HB2 LEU 90 -2.982 15.355 1.584 714 HB3 LEU 90 HB3 LEU 90 -3.919 16.786 1.985 715 HG LEU 90 HG LEU 90 -5.238 16.425 -0.135 716 HD11 LEU 90 HD11 LEU 90 -3.560 13.918 -0.114 717 HD12 LEU 90 HD12 LEU 90 -3.767 15.078 -1.426 718 HD13 LEU 90 HD13 LEU 90 -5.099 14.016 -0.969 719 HD21 LEU 90 HD21 LEU 90 -5.180 14.486 2.162 720 HD22 LEU 90 HD22 LEU 90 -6.324 14.241 0.842 721 HD23 LEU 90 HD23 LEU 90 -6.372 15.727 1.786 722 H ALA 91 H ALA 91 -3.498 19.281 1.098 723 HA ALA 91 HA ALA 91 -5.593 19.813 -0.662 724 HB1 ALA 91 HB1 ALA 91 -5.500 22.070 0.115 725 HB2 ALA 91 HB2 ALA 91 -3.797 21.917 0.550 726 HB3 ALA 91 HB3 ALA 91 -5.023 21.048 1.472 727 H GLU 92 H GLU 92 -2.155 20.606 -0.916 728 HA GLU 92 HA GLU 92 -2.227 22.165 -3.255 729 HB2 GLU 92 HB2 GLU 92 -0.257 21.796 -1.690 730 HB3 GLU 92 HB3 GLU 92 -0.007 20.253 -2.502 731 HG2 GLU 92 HG2 GLU 92 -0.268 22.765 -4.135 732 HG3 GLU 92 HG3 GLU 92 1.264 22.398 -3.351 733 H ASN 93 H ASN 93 -2.582 18.740 -2.779 734 HA ASN 93 HA ASN 93 -1.884 17.904 -5.407 735 HB2 ASN 93 HB2 ASN 93 -3.707 16.585 -3.384 736 HB3 ASN 93 HB3 ASN 93 -3.067 15.820 -4.836 737 HD21 ASN 93 HD21 ASN 93 -0.648 17.874 -3.783 738 HD22 ASN 93 HD22 ASN 93 0.231 16.782 -2.825 739 H ILE 94 H ILE 94 -4.830 19.184 -3.976 740 HA ILE 94 HA ILE 94 -6.727 18.377 -5.842 741 HB ILE 94 HB ILE 94 -6.467 20.917 -4.233 742 HG12 ILE 94 HG12 ILE 94 -8.505 18.687 -4.089 743 HG13 ILE 94 HG13 ILE 94 -6.992 18.656 -3.181 744 HG21 ILE 94 HG21 ILE 94 -7.733 21.691 -6.072 745 HG22 ILE 94 HG22 ILE 94 -8.957 21.182 -4.911 746 HG23 ILE 94 HG23 ILE 94 -8.549 20.141 -6.274 747 HD11 ILE 94 HD11 ILE 94 -9.070 20.859 -3.016 748 HD12 ILE 94 HD12 ILE 94 -7.582 20.761 -2.074 749 HD13 ILE 94 HD13 ILE 94 -8.862 19.573 -1.829 750 HA PRO 95 HA PRO 95 -5.648 22.143 -8.654 751 HB2 PRO 95 HB2 PRO 95 -3.329 23.505 -8.095 752 HB3 PRO 95 HB3 PRO 95 -4.917 23.965 -7.451 753 HG2 PRO 95 HG2 PRO 95 -2.717 22.443 -6.150 754 HG3 PRO 95 HG3 PRO 95 -3.771 23.699 -5.481 755 HD2 PRO 95 HD2 PRO 95 -4.187 21.064 -4.985 756 HD3 PRO 95 HD3 PRO 95 -5.518 22.233 -5.102 757 H SER 96 H SER 96 -3.187 20.041 -7.378 758 HA SER 96 HA SER 96 -1.270 20.107 -9.445 759 HB2 SER 96 HB2 SER 96 -2.046 17.765 -7.691 760 HB3 SER 96 HB3 SER 96 -0.569 17.901 -8.637 761 HG SER 96 HG SER 96 -1.400 19.674 -6.578 762 H ARG 97 H ARG 97 -4.290 18.580 -8.999 763 HA ARG 97 HA ARG 97 -4.374 16.612 -10.910 764 HB2 ARG 97 HB2 ARG 97 -6.464 18.580 -9.975 765 HB3 ARG 97 HB3 ARG 97 -6.812 17.169 -10.929 766 HG2 ARG 97 HG2 ARG 97 -5.351 17.001 -8.307 767 HG3 ARG 97 HG3 ARG 97 -7.104 16.878 -8.423 768 HD2 ARG 97 HD2 ARG 97 -6.774 14.991 -10.071 769 HD3 ARG 97 HD3 ARG 97 -5.054 15.049 -9.698 770 HE ARG 97 HE ARG 97 -5.510 13.993 -7.683 771 HH11 ARG 97 HH21 ARG 97 -8.410 15.300 -9.062 772 HH12 ARG 97 HH22 ARG 97 -9.457 14.566 -7.893 773 HH21 ARG 97 HH11 ARG 97 -6.883 13.031 -6.154 774 HH22 ARG 97 HH12 ARG 97 -8.593 13.282 -6.251 775 H CYS 98 H CYS 98 -5.374 20.026 -11.338 776 HA CYS 98 HA CYS 98 -5.163 19.668 -14.255 777 HB2 CYS 98 HB2 CYS 98 -6.429 22.070 -13.006 778 HB3 CYS 98 HB3 CYS 98 -6.805 21.263 -14.529 779 H ASN 99 H ASN 99 -3.162 20.486 -11.907 780 HA ASN 99 HA ASN 99 -2.403 23.101 -12.379 781 HB2 ASN 99 HB2 ASN 99 -0.951 20.780 -11.278 782 HB3 ASN 99 HB3 ASN 99 0.005 22.114 -11.941 783 HD21 ASN 99 HD21 ASN 99 -1.858 24.250 -11.297 784 HD22 ASN 99 HD22 ASN 99 -1.857 24.429 -9.607 785 H LEU 100 H LEU 100 -0.776 24.007 -13.428 786 HA LEU 100 HA LEU 100 0.221 22.741 -15.884 787 HB2 LEU 100 HB2 LEU 100 -0.665 25.312 -16.610 788 HB3 LEU 100 HB3 LEU 100 -1.408 23.773 -17.061 789 HG LEU 100 HG LEU 100 -2.510 23.924 -14.658 790 HD11 LEU 100 HD11 LEU 100 -2.976 26.312 -14.067 791 HD12 LEU 100 HD12 LEU 100 -1.743 26.785 -15.236 792 HD13 LEU 100 HD13 LEU 100 -1.302 25.820 -13.827 793 HD21 LEU 100 HD21 LEU 100 -3.356 25.570 -17.025 794 HD22 LEU 100 HD22 LEU 100 -4.373 25.274 -15.614 795 HD23 LEU 100 HD23 LEU 100 -3.848 23.925 -16.621 796 H SER 101 H SER 101 1.753 24.324 -17.013 797 HA SER 101 HA SER 101 3.489 25.541 -14.986 798 HB2 SER 101 HB2 SER 101 5.136 25.602 -16.902 799 HB3 SER 101 HB3 SER 101 4.620 23.992 -16.406 800 HG SER 101 HG SER 101 2.980 24.232 -18.111 801 HA PRO 102 HA PRO 102 1.913 29.434 -16.754 802 HB2 PRO 102 HB2 PRO 102 2.189 30.654 -14.169 803 HB3 PRO 102 HB3 PRO 102 0.695 30.109 -14.950 804 HG2 PRO 102 HG2 PRO 102 1.764 28.989 -12.675 805 HG3 PRO 102 HG3 PRO 102 0.653 28.163 -13.783 806 HD2 PRO 102 HD2 PRO 102 3.655 27.969 -13.656 807 HD3 PRO 102 HD3 PRO 102 2.451 26.680 -13.868 808 H MET 103 H MET 103 3.043 31.350 -17.336 809 HA MET 103 HA MET 103 5.876 31.207 -17.269 810 HB2 MET 103 HB2 MET 103 4.477 32.377 -19.017 811 HB3 MET 103 HB3 MET 103 4.215 33.669 -17.846 812 HG2 MET 103 HG2 MET 103 6.719 33.888 -17.642 813 HG3 MET 103 HG3 MET 103 6.873 32.745 -18.974 814 HE1 MET 103 HE1 MET 103 5.880 32.912 -21.123 815 HE2 MET 103 HE2 MET 103 5.472 34.379 -22.007 816 HE3 MET 103 HE3 MET 103 4.291 33.661 -20.915 817 H ARG 104 H ARG 104 3.707 33.631 -15.761 818 HA ARG 104 HA ARG 104 5.375 33.665 -13.368 819 HB2 ARG 104 HB2 ARG 104 4.985 36.122 -15.094 820 HB3 ARG 104 HB3 ARG 104 5.588 36.159 -13.440 821 HG2 ARG 104 HG2 ARG 104 6.891 34.625 -15.709 822 HG3 ARG 104 HG3 ARG 104 7.411 36.203 -15.137 823 HD2 ARG 104 HD2 ARG 104 7.268 33.730 -13.398 824 HD3 ARG 104 HD3 ARG 104 8.736 34.325 -14.158 825 HE ARG 104 HE ARG 104 8.131 36.484 -12.826 826 HH11 ARG 104 HH21 ARG 104 7.605 33.199 -11.835 827 HH12 ARG 104 HH22 ARG 104 7.759 33.546 -10.146 828 HH21 ARG 104 HH11 ARG 104 8.337 36.929 -10.615 829 HH22 ARG 104 HH12 ARG 104 8.175 35.652 -9.456 830 H CYS 105 H CYS 105 4.291 34.346 -11.551 831 HA CYS 105 HA CYS 105 1.392 34.767 -11.862 832 HB2 CYS 105 HB2 CYS 105 3.148 33.805 -9.634 833 HB3 CYS 105 HB3 CYS 105 1.602 34.556 -9.235 834 HA PRO 106 HA PRO 106 2.540 39.096 -11.123 835 HB2 PRO 106 HB2 PRO 106 -0.234 39.720 -11.756 836 HB3 PRO 106 HB3 PRO 106 1.238 40.176 -12.632 837 HG2 PRO 106 HG2 PRO 106 -0.584 38.398 -13.580 838 HG3 PRO 106 HG3 PRO 106 1.134 38.366 -14.009 839 HD2 PRO 106 HD2 PRO 106 -0.356 36.625 -12.072 840 HD3 PRO 106 HD3 PRO 106 0.985 36.214 -13.162 841 H MET 107 H MET 107 0.786 37.038 -9.375 842 HA MET 107 HA MET 107 -0.771 38.832 -7.778 843 HB2 MET 107 HB2 MET 107 0.139 36.018 -7.448 844 HB3 MET 107 HB3 MET 107 -0.923 36.820 -6.287 845 HG2 MET 107 HG2 MET 107 -1.467 36.285 -9.218 846 HG3 MET 107 HG3 MET 107 -2.347 35.674 -7.829 847 HE1 MET 107 HE1 MET 107 -2.264 37.726 -10.550 848 HE2 MET 107 HE2 MET 107 -3.421 39.034 -10.322 849 HE3 MET 107 HE3 MET 107 -3.976 37.363 -10.293 850 H GLY 108 H GLY 108 0.296 40.319 -6.860 851 HA2 GLY 108 HA2 GLY 108 1.484 41.336 -5.170 852 HA3 GLY 108 HA3 GLY 108 1.887 39.748 -4.540 853 H GLY 109 H GLY 109 2.527 40.549 -7.858 854 HA2 GLY 109 HA2 GLY 109 4.498 40.564 -9.057 855 HA3 GLY 109 HA3 GLY 109 5.028 41.699 -7.821 856 H SER 110 H SER 110 4.610 38.179 -8.323 857 HA SER 110 HA SER 110 6.176 37.210 -6.274 858 HB2 SER 110 HB2 SER 110 4.870 35.848 -7.940 859 HB3 SER 110 HB3 SER 110 6.185 36.090 -9.084 860 HG SER 110 HG SER 110 7.570 35.067 -7.626 861 H ILE 111 H ILE 111 8.291 37.096 -5.806 862 HA ILE 111 HA ILE 111 10.137 38.770 -7.235 863 HB ILE 111 HB ILE 111 10.630 36.817 -4.973 864 HG12 ILE 111 HG12 ILE 111 10.166 39.820 -4.917 865 HG13 ILE 111 HG13 ILE 111 8.948 38.615 -4.493 866 HG21 ILE 111 HG21 ILE 111 12.714 37.374 -6.066 867 HG22 ILE 111 HG22 ILE 111 12.621 38.331 -4.589 868 HG23 ILE 111 HG23 ILE 111 12.275 39.080 -6.148 869 HD11 ILE 111 HD11 ILE 111 11.582 39.136 -3.092 870 HD12 ILE 111 HD12 ILE 111 10.583 37.720 -2.771 871 HD13 ILE 111 HD13 ILE 111 9.958 39.334 -2.433 872 H ALA 112 H ALA 112 9.510 35.344 -7.047 873 HA ALA 112 HA ALA 112 11.254 34.851 -9.348 874 HB1 ALA 112 HB1 ALA 112 12.446 33.066 -8.301 875 HB2 ALA 112 HB2 ALA 112 11.447 33.166 -6.851 876 HB3 ALA 112 HB3 ALA 112 12.591 34.457 -7.226 877 H GLY 113 H GLY 113 11.097 32.081 -9.343 878 HA2 GLY 113 HA2 GLY 113 8.501 31.633 -10.320 879 HA3 GLY 113 HA3 GLY 113 9.638 30.361 -9.850 880 H PHE 114 H PHE 114 6.997 32.308 -8.915 881 HA PHE 114 HA PHE 114 6.682 32.190 -6.250 882 HB2 PHE 114 HB2 PHE 114 4.193 31.814 -6.696 883 HB3 PHE 114 HB3 PHE 114 4.945 33.175 -7.532 884 HD1 PHE 114 HD1 PHE 114 5.592 32.967 -9.940 885 HD2 PHE 114 HD2 PHE 114 3.335 29.923 -7.913 886 HE1 PHE 114 HE1 PHE 114 4.935 31.998 -12.124 887 HE2 PHE 114 HE2 PHE 114 2.678 28.957 -10.101 888 HZ PHE 114 HZ PHE 114 3.481 29.995 -12.205 Start of MODEL 9 1 H1 GLU 1 H1 GLU 1 2.877 43.179 -5.503 2 H2 GLU 1 H2 GLU 1 2.310 44.727 -5.913 3 H3 GLU 1 H3 GLU 1 3.075 43.762 -7.083 4 HA GLU 1 HA GLU 1 1.264 42.137 -6.916 5 HB2 GLU 1 HB2 GLU 1 0.621 42.763 -4.587 6 HB3 GLU 1 HB3 GLU 1 -0.013 44.289 -5.200 7 HG2 GLU 1 HG2 GLU 1 -1.869 42.757 -5.004 8 HG3 GLU 1 HG3 GLU 1 -1.529 42.969 -6.719 9 H ALA 2 H ALA 2 0.227 42.243 -8.818 10 HA ALA 2 HA ALA 2 0.239 44.626 -10.380 11 HB1 ALA 2 HB1 ALA 2 0.379 42.456 -11.459 12 HB2 ALA 2 HB2 ALA 2 -1.090 43.269 -11.997 13 HB3 ALA 2 HB3 ALA 2 -1.184 41.985 -10.791 14 H GLU 3 H GLU 3 -1.385 46.035 -10.888 15 HA GLU 3 HA GLU 3 -3.438 46.484 -9.002 16 HB2 GLU 3 HB2 GLU 3 -4.142 48.278 -10.419 17 HB3 GLU 3 HB3 GLU 3 -2.385 48.208 -10.524 18 HG2 GLU 3 HG2 GLU 3 -4.316 46.996 -12.530 19 HG3 GLU 3 HG3 GLU 3 -3.408 48.487 -12.758 20 H ALA 4 H ALA 4 -3.294 44.533 -11.859 21 HA ALA 4 HA ALA 4 -6.105 44.370 -12.334 22 HB1 ALA 4 HB1 ALA 4 -4.485 43.881 -14.109 23 HB2 ALA 4 HB2 ALA 4 -5.519 42.483 -13.813 24 HB3 ALA 4 HB3 ALA 4 -3.873 42.511 -13.182 25 H GLN 5 H GLN 5 -4.337 43.312 -9.795 26 HA GLN 5 HA GLN 5 -5.080 40.700 -9.258 27 HB2 GLN 5 HB2 GLN 5 -3.564 42.048 -7.858 28 HB3 GLN 5 HB3 GLN 5 -4.936 43.027 -7.336 29 HG2 GLN 5 HG2 GLN 5 -6.006 40.928 -6.445 30 HG3 GLN 5 HG3 GLN 5 -4.524 40.061 -6.845 31 HE21 GLN 5 HE21 GLN 5 -3.436 39.712 -4.901 32 HE22 GLN 5 HE22 GLN 5 -3.189 40.894 -3.707 33 H GLU 6 H GLU 6 -6.929 43.684 -8.890 34 HA GLU 6 HA GLU 6 -9.107 42.775 -7.424 35 HB2 GLU 6 HB2 GLU 6 -10.340 44.641 -8.387 36 HB3 GLU 6 HB3 GLU 6 -8.689 45.142 -8.026 37 HG2 GLU 6 HG2 GLU 6 -8.102 44.629 -10.433 38 HG3 GLU 6 HG3 GLU 6 -9.822 44.391 -10.735 39 H GLU 7 H GLU 7 -8.473 42.471 -10.897 40 HA GLU 7 HA GLU 7 -10.971 41.573 -11.758 41 HB2 GLU 7 HB2 GLU 7 -9.281 42.089 -13.389 42 HB3 GLU 7 HB3 GLU 7 -8.180 40.891 -12.713 43 HG2 GLU 7 HG2 GLU 7 -10.843 39.872 -13.549 44 HG3 GLU 7 HG3 GLU 7 -9.775 40.393 -14.849 45 H CYS 8 H CYS 8 -8.268 39.873 -10.278 46 HA CYS 8 HA CYS 8 -9.299 37.269 -10.557 47 HB2 CYS 8 HB2 CYS 8 -7.416 38.324 -8.441 48 HB3 CYS 8 HB3 CYS 8 -7.640 36.632 -8.885 49 H ARG 9 H ARG 9 -9.601 39.703 -8.013 50 HA ARG 9 HA ARG 9 -10.856 38.170 -6.046 51 HB2 ARG 9 HB2 ARG 9 -10.049 40.517 -5.758 52 HB3 ARG 9 HB3 ARG 9 -11.432 41.069 -6.703 53 HG2 ARG 9 HG2 ARG 9 -12.961 40.006 -5.059 54 HG3 ARG 9 HG3 ARG 9 -11.564 39.517 -4.099 55 HD2 ARG 9 HD2 ARG 9 -10.912 41.922 -3.906 56 HD3 ARG 9 HD3 ARG 9 -12.389 42.359 -4.760 57 HE ARG 9 HE ARG 9 -13.587 41.932 -2.813 58 HH11 ARG 9 HH21 ARG 9 -10.387 40.611 -2.610 59 HH12 ARG 9 HH22 ARG 9 -10.514 40.212 -0.930 60 HH21 ARG 9 HH11 ARG 9 -13.752 41.408 -0.614 61 HH22 ARG 9 HH12 ARG 9 -12.416 40.663 0.198 62 H GLU 10 H GLU 10 -12.246 39.912 -8.813 63 HA GLU 10 HA GLU 10 -14.961 39.455 -8.235 64 HB2 GLU 10 HB2 GLU 10 -14.271 41.056 -9.936 65 HB3 GLU 10 HB3 GLU 10 -13.565 39.765 -10.906 66 HG2 GLU 10 HG2 GLU 10 -16.435 39.491 -10.116 67 HG3 GLU 10 HG3 GLU 10 -16.041 40.671 -11.364 68 H GLN 11 H GLN 11 -12.785 37.662 -10.425 69 HA GLN 11 HA GLN 11 -14.583 35.596 -11.053 70 HB2 GLN 11 HB2 GLN 11 -11.558 35.620 -10.999 71 HB3 GLN 11 HB3 GLN 11 -12.522 34.306 -11.671 72 HG2 GLN 11 HG2 GLN 11 -13.596 35.904 -13.230 73 HG3 GLN 11 HG3 GLN 11 -12.592 37.198 -12.579 74 HE21 GLN 11 HE21 GLN 11 -12.392 36.595 -15.318 75 HE22 GLN 11 HE22 GLN 11 -10.896 35.856 -15.626 76 H MET 12 H MET 12 -12.316 35.990 -8.381 77 HA MET 12 HA MET 12 -12.253 33.426 -7.345 78 HB2 MET 12 HB2 MET 12 -10.980 35.431 -6.501 79 HB3 MET 12 HB3 MET 12 -12.452 35.935 -5.671 80 HG2 MET 12 HG2 MET 12 -12.493 33.720 -4.503 81 HG3 MET 12 HG3 MET 12 -10.940 33.341 -5.249 82 HE1 MET 12 HE1 MET 12 -9.372 36.387 -5.042 83 HE2 MET 12 HE2 MET 12 -9.015 34.671 -5.221 84 HE3 MET 12 HE3 MET 12 -8.394 35.552 -3.828 85 H GLN 13 H GLN 13 -14.676 35.974 -6.717 86 HA GLN 13 HA GLN 13 -16.260 34.503 -4.909 87 HB2 GLN 13 HB2 GLN 13 -17.107 36.640 -6.884 88 HB3 GLN 13 HB3 GLN 13 -18.071 36.069 -5.523 89 HG2 GLN 13 HG2 GLN 13 -16.243 36.760 -3.976 90 HG3 GLN 13 HG3 GLN 13 -15.359 37.416 -5.351 91 HE21 GLN 13 HE21 GLN 13 -18.538 37.964 -6.120 92 HE22 GLN 13 HE22 GLN 13 -18.725 39.515 -5.454 93 H ARG 14 H ARG 14 -16.432 34.828 -8.435 94 HA ARG 14 HA ARG 14 -18.679 33.242 -8.915 95 HB2 ARG 14 HB2 ARG 14 -17.509 34.756 -10.560 96 HB3 ARG 14 HB3 ARG 14 -16.227 33.553 -10.668 97 HG2 ARG 14 HG2 ARG 14 -17.806 31.879 -11.473 98 HG3 ARG 14 HG3 ARG 14 -19.146 33.011 -11.270 99 HD2 ARG 14 HD2 ARG 14 -18.548 33.103 -13.582 100 HD3 ARG 14 HD3 ARG 14 -17.918 34.572 -12.846 101 HE ARG 14 HE ARG 14 -15.756 33.795 -13.233 102 HH11 ARG 14 HH21 ARG 14 -18.092 31.276 -13.709 103 HH12 ARG 14 HH22 ARG 14 -16.957 30.174 -14.412 104 HH21 ARG 14 HH11 ARG 14 -14.272 32.349 -14.151 105 HH22 ARG 14 HH12 ARG 14 -14.798 30.780 -14.662 106 H GLN 15 H GLN 15 -15.230 32.553 -8.688 107 HA GLN 15 HA GLN 15 -15.572 29.740 -9.091 108 HB2 GLN 15 HB2 GLN 15 -13.280 31.558 -8.452 109 HB3 GLN 15 HB3 GLN 15 -13.105 29.831 -8.149 110 HG2 GLN 15 HG2 GLN 15 -12.354 30.625 -10.450 111 HG3 GLN 15 HG3 GLN 15 -13.496 29.288 -10.440 112 HE21 GLN 15 HE21 GLN 15 -13.043 32.628 -11.383 113 HE22 GLN 15 HE22 GLN 15 -14.560 32.827 -12.116 114 H GLN 16 H GLN 16 -17.232 29.558 -7.471 115 HA GLN 16 HA GLN 16 -16.569 29.852 -4.682 116 HB2 GLN 16 HB2 GLN 16 -18.902 28.500 -6.062 117 HB3 GLN 16 HB3 GLN 16 -18.786 28.794 -4.323 118 HG2 GLN 16 HG2 GLN 16 -18.606 31.211 -4.728 119 HG3 GLN 16 HG3 GLN 16 -18.672 30.935 -6.466 120 HE21 GLN 16 HE21 GLN 16 -20.601 32.598 -5.631 121 HE22 GLN 16 HE22 GLN 16 -22.106 31.826 -5.515 122 H MET 17 H MET 17 -14.601 28.390 -5.774 123 HA MET 17 HA MET 17 -14.935 25.588 -5.743 124 HB2 MET 17 HB2 MET 17 -12.679 25.478 -6.139 125 HB3 MET 17 HB3 MET 17 -12.948 27.164 -6.565 126 HG2 MET 17 HG2 MET 17 -12.482 27.626 -4.035 127 HG3 MET 17 HG3 MET 17 -11.735 26.028 -4.058 128 HE1 MET 17 HE1 MET 17 -10.660 29.892 -6.064 129 HE2 MET 17 HE2 MET 17 -12.237 29.257 -5.603 130 HE3 MET 17 HE3 MET 17 -11.552 28.843 -7.172 131 H LEU 18 H LEU 18 -14.308 27.913 -3.216 132 HA LEU 18 HA LEU 18 -13.337 26.204 -1.233 133 HB2 LEU 18 HB2 LEU 18 -14.603 27.989 0.286 134 HB3 LEU 18 HB3 LEU 18 -13.099 28.356 -0.546 135 HG LEU 18 HG LEU 18 -14.255 29.464 -2.338 136 HD11 LEU 18 HD11 LEU 18 -16.152 28.153 -2.778 137 HD12 LEU 18 HD12 LEU 18 -16.843 29.623 -2.105 138 HD13 LEU 18 HD13 LEU 18 -16.683 28.187 -1.098 139 HD21 LEU 18 HD21 LEU 18 -14.012 30.660 -0.101 140 HD22 LEU 18 HD22 LEU 18 -15.710 30.283 0.189 141 HD23 LEU 18 HD23 LEU 18 -15.253 31.307 -1.173 142 H SER 19 H SER 19 -16.596 26.604 -2.443 143 HA SER 19 HA SER 19 -17.952 25.466 -0.195 144 HB2 SER 19 HB2 SER 19 -19.079 26.848 -1.937 145 HB3 SER 19 HB3 SER 19 -18.823 25.546 -3.096 146 HG SER 19 HG SER 19 -20.076 24.205 -1.773 147 H HIS 20 H HIS 20 -17.142 24.160 -3.411 148 HA HIS 20 HA HIS 20 -17.820 21.470 -2.835 149 HB2 HIS 20 HB2 HIS 20 -15.602 22.040 -4.752 150 HB3 HIS 20 HB3 HIS 20 -17.014 21.003 -4.943 151 HD2 HIS 20 HD2 HIS 20 -19.396 23.231 -4.531 152 HE1 HIS 20 HE1 HIS 20 -17.430 25.419 -7.557 153 HE2 HIS 20 HE2 HIS 20 -19.598 25.174 -6.260 154 H CYS 21 H CYS 21 -14.969 23.435 -2.515 155 HA CYS 21 HA CYS 21 -13.099 21.475 -1.785 156 HB2 CYS 21 HB2 CYS 21 -13.382 24.432 -1.418 157 HB3 CYS 21 HB3 CYS 21 -12.102 23.585 -0.544 158 H ARG 22 H ARG 22 -15.404 23.415 0.097 159 HA ARG 22 HA ARG 22 -14.609 22.627 2.675 160 HB2 ARG 22 HB2 ARG 22 -16.274 24.439 2.162 161 HB3 ARG 22 HB3 ARG 22 -17.444 23.184 1.756 162 HG2 ARG 22 HG2 ARG 22 -17.859 23.776 4.041 163 HG3 ARG 22 HG3 ARG 22 -17.040 22.216 4.075 164 HD2 ARG 22 HD2 ARG 22 -14.983 24.138 4.070 165 HD3 ARG 22 HD3 ARG 22 -16.189 24.749 5.196 166 HE ARG 22 HE ARG 22 -16.006 22.231 6.034 167 HH11 ARG 22 HH21 ARG 22 -13.539 24.461 5.050 168 HH12 ARG 22 HH22 ARG 22 -12.328 23.781 6.085 169 HH21 ARG 22 HH11 ARG 22 -14.420 21.350 7.384 170 HH22 ARG 22 HH12 ARG 22 -12.825 22.023 7.401 171 H MET 23 H MET 23 -16.941 21.205 0.392 172 HA MET 23 HA MET 23 -17.786 19.051 1.990 173 HB2 MET 23 HB2 MET 23 -17.412 19.190 -1.018 174 HB3 MET 23 HB3 MET 23 -18.272 17.904 -0.174 175 HG2 MET 23 HG2 MET 23 -19.822 19.605 0.778 176 HG3 MET 23 HG3 MET 23 -18.996 20.849 -0.160 177 HE1 MET 23 HE1 MET 23 -22.311 20.577 -2.076 178 HE2 MET 23 HE2 MET 23 -21.103 21.644 -1.366 179 HE3 MET 23 HE3 MET 23 -22.003 20.535 -0.335 180 H TYR 24 H TYR 24 -15.043 19.416 -0.221 181 HA TYR 24 HA TYR 24 -13.967 16.844 -0.030 182 HB2 TYR 24 HB2 TYR 24 -12.852 18.036 -1.635 183 HB3 TYR 24 HB3 TYR 24 -12.920 19.539 -0.726 184 HD1 TYR 24 HD2 TYR 24 -11.333 16.144 -0.630 185 HD2 TYR 24 HD1 TYR 24 -11.003 20.307 0.381 186 HE1 TYR 24 HE2 TYR 24 -9.014 15.769 0.163 187 HE2 TYR 24 HE1 TYR 24 -8.684 19.930 1.172 188 HH TYR 24 HH TYR 24 -7.425 16.898 1.789 189 H MET 25 H MET 25 -13.568 19.676 2.081 190 HA MET 25 HA MET 25 -11.594 18.655 3.792 191 HB2 MET 25 HB2 MET 25 -13.905 20.501 4.427 192 HB3 MET 25 HB3 MET 25 -12.514 20.232 5.475 193 HG2 MET 25 HG2 MET 25 -12.300 21.228 2.621 194 HG3 MET 25 HG3 MET 25 -12.308 22.285 4.029 195 HE1 MET 25 HE1 MET 25 -10.997 22.125 5.893 196 HE2 MET 25 HE2 MET 25 -9.251 21.893 5.867 197 HE3 MET 25 HE3 MET 25 -10.307 20.534 6.245 198 H ARG 26 H ARG 26 -15.129 18.280 3.814 199 HA ARG 26 HA ARG 26 -15.314 16.856 6.254 200 HB2 ARG 26 HB2 ARG 26 -17.269 17.771 4.988 201 HB3 ARG 26 HB3 ARG 26 -17.044 16.495 3.792 202 HG2 ARG 26 HG2 ARG 26 -17.311 14.797 5.601 203 HG3 ARG 26 HG3 ARG 26 -17.644 16.103 6.739 204 HD2 ARG 26 HD2 ARG 26 -19.248 15.513 4.235 205 HD3 ARG 26 HD3 ARG 26 -19.733 15.093 5.874 206 HE ARG 26 HE ARG 26 -19.241 17.818 5.922 207 HH11 ARG 26 HH21 ARG 26 -21.282 15.622 4.182 208 HH12 ARG 26 HH22 ARG 26 -22.554 16.774 3.952 209 HH21 ARG 26 HH11 ARG 26 -20.907 19.327 5.622 210 HH22 ARG 26 HH12 ARG 26 -22.342 18.869 4.767 211 H GLN 27 H GLN 27 -14.881 15.789 2.905 212 HA GLN 27 HA GLN 27 -14.735 13.005 3.435 213 HB2 GLN 27 HB2 GLN 27 -14.119 14.782 1.147 214 HB3 GLN 27 HB3 GLN 27 -13.204 13.276 1.205 215 HG2 GLN 27 HG2 GLN 27 -15.201 12.789 -0.018 216 HG3 GLN 27 HG3 GLN 27 -15.419 12.080 1.579 217 HE21 GLN 27 HE21 GLN 27 -15.590 15.428 1.912 218 HE22 GLN 27 HE22 GLN 27 -17.289 15.598 1.826 219 H GLN 28 H GLN 28 -12.486 15.646 3.589 220 HA GLN 28 HA GLN 28 -10.093 14.181 3.632 221 HB2 GLN 28 HB2 GLN 28 -9.788 16.425 3.261 222 HB3 GLN 28 HB3 GLN 28 -10.993 16.895 4.445 223 HG2 GLN 28 HG2 GLN 28 -8.562 15.481 5.455 224 HG3 GLN 28 HG3 GLN 28 -8.359 17.140 4.910 225 HE21 GLN 28 HE21 GLN 28 -8.910 15.437 7.677 226 HE22 GLN 28 HE22 GLN 28 -9.816 16.579 8.546 227 H MET 29 H MET 29 -12.346 15.177 6.204 228 HA MET 29 HA MET 29 -10.776 14.175 8.365 229 HB2 MET 29 HB2 MET 29 -13.778 14.524 8.096 230 HB3 MET 29 HB3 MET 29 -12.958 14.112 9.601 231 HG2 MET 29 HG2 MET 29 -11.565 16.213 9.290 232 HG3 MET 29 HG3 MET 29 -12.656 16.646 7.976 233 HE1 MET 29 HE1 MET 29 -15.965 17.222 9.311 234 HE2 MET 29 HE2 MET 29 -15.703 15.493 9.528 235 HE3 MET 29 HE3 MET 29 -15.023 16.310 8.125 236 H GLU 30 H GLU 30 -13.387 12.837 6.386 237 HA GLU 30 HA GLU 30 -13.416 10.233 7.538 238 HB2 GLU 30 HB2 GLU 30 -14.248 11.186 4.782 239 HB3 GLU 30 HB3 GLU 30 -14.640 9.609 5.470 240 HG2 GLU 30 HG2 GLU 30 -15.844 10.699 7.318 241 HG3 GLU 30 HG3 GLU 30 -15.434 12.283 6.664 242 H GLU 31 H GLU 31 -11.491 11.798 5.119 243 HA GLU 31 HA GLU 31 -10.423 9.600 3.756 244 HB2 GLU 31 HB2 GLU 31 -10.273 11.926 2.965 245 HB3 GLU 31 HB3 GLU 31 -9.154 12.292 4.273 246 HG2 GLU 31 HG2 GLU 31 -7.551 10.685 3.403 247 HG3 GLU 31 HG3 GLU 31 -8.672 10.202 2.135 248 H SER 32 H SER 32 -9.957 10.444 6.993 249 HA SER 32 HA SER 32 -7.272 9.898 7.452 250 HB2 SER 32 HB2 SER 32 -7.930 9.306 9.722 251 HB3 SER 32 HB3 SER 32 -8.861 10.697 9.174 252 HG SER 32 HG SER 32 -9.685 7.975 9.176 253 H THR 33 H THR 33 -9.971 7.663 7.054 254 HA THR 33 HA THR 33 -8.511 5.293 7.664 255 HB THR 33 HB THR 33 -11.048 5.576 6.044 256 HG1 THR 33 HG1 THR 33 -11.010 6.522 8.204 257 HG21 THR 33 HG21 THR 33 -11.428 3.259 7.014 258 HG22 THR 33 HG22 THR 33 -9.739 3.279 7.518 259 HG23 THR 33 HG23 THR 33 -10.149 3.365 5.804 260 H TYR 34 H TYR 34 -9.621 6.622 4.542 261 HA TYR 34 HA TYR 34 -7.908 4.720 3.128 262 HB2 TYR 34 HB2 TYR 34 -9.169 5.278 1.134 263 HB3 TYR 34 HB3 TYR 34 -10.254 4.853 2.452 264 HD1 TYR 34 HD1 TYR 34 -8.976 7.604 0.346 265 HD2 TYR 34 HD2 TYR 34 -11.689 6.519 3.497 266 HE1 TYR 34 HE1 TYR 34 -10.163 9.761 0.068 267 HE2 TYR 34 HE2 TYR 34 -12.873 8.681 3.221 268 HH TYR 34 HH TYR 34 -12.152 11.064 2.285 269 H GLN 35 H GLN 35 -7.186 7.563 4.382 270 HA GLN 35 HA GLN 35 -6.417 9.459 2.709 271 HB2 GLN 35 HB2 GLN 35 -4.150 9.560 3.882 272 HB3 GLN 35 HB3 GLN 35 -5.607 9.737 4.852 273 HG2 GLN 35 HG2 GLN 35 -5.338 7.063 5.005 274 HG3 GLN 35 HG3 GLN 35 -3.646 7.493 4.757 275 HE21 GLN 35 HE21 GLN 35 -5.925 9.642 6.389 276 HE22 GLN 35 HE22 GLN 35 -5.242 9.495 7.920 277 H THR 36 H THR 36 -4.948 6.236 2.606 278 HA THR 36 HA THR 36 -2.766 6.883 0.942 279 HB THR 36 HB THR 36 -2.990 4.469 0.167 280 HG1 THR 36 HG1 THR 36 -5.200 4.668 1.926 281 HG21 THR 36 HG21 THR 36 -3.065 4.975 3.156 282 HG22 THR 36 HG22 THR 36 -1.637 5.129 2.132 283 HG23 THR 36 HG23 THR 36 -2.389 3.551 2.365 284 H MET 37 H MET 37 -3.025 8.093 -0.821 285 HA MET 37 HA MET 37 -5.364 8.301 -2.361 286 HB2 MET 37 HB2 MET 37 -2.510 8.945 -3.129 287 HB3 MET 37 HB3 MET 37 -3.950 9.504 -3.980 288 HG2 MET 37 HG2 MET 37 -4.150 10.050 -1.129 289 HG3 MET 37 HG3 MET 37 -2.694 10.772 -1.813 290 HE1 MET 37 HE1 MET 37 -3.607 12.713 -4.677 291 HE2 MET 37 HE2 MET 37 -2.435 11.974 -3.589 292 HE3 MET 37 HE3 MET 37 -3.169 13.519 -3.165 293 HA PRO 38 HA PRO 38 -4.634 4.600 -4.825 294 HB2 PRO 38 HB2 PRO 38 -7.195 4.067 -5.385 295 HB3 PRO 38 HB3 PRO 38 -6.568 3.848 -3.737 296 HG2 PRO 38 HG2 PRO 38 -8.269 6.013 -4.841 297 HG3 PRO 38 HG3 PRO 38 -8.272 5.282 -3.228 298 HD2 PRO 38 HD2 PRO 38 -7.016 7.721 -3.963 299 HD3 PRO 38 HD3 PRO 38 -6.802 6.842 -2.432 300 H ARG 39 H ARG 39 -4.242 4.476 -6.996 301 HA ARG 39 HA ARG 39 -4.597 6.711 -8.704 302 HB2 ARG 39 HB2 ARG 39 -4.224 3.864 -9.623 303 HB3 ARG 39 HB3 ARG 39 -3.737 5.337 -10.455 304 HG2 ARG 39 HG2 ARG 39 -2.598 4.447 -7.786 305 HG3 ARG 39 HG3 ARG 39 -1.814 4.179 -9.342 306 HD2 ARG 39 HD2 ARG 39 -1.848 6.649 -9.733 307 HD3 ARG 39 HD3 ARG 39 -2.507 6.863 -8.115 308 HE ARG 39 HE ARG 39 -0.391 6.447 -7.246 309 HH11 ARG 39 HH21 ARG 39 -0.569 5.498 -10.577 310 HH12 ARG 39 HH22 ARG 39 1.132 5.209 -10.724 311 HH21 ARG 39 HH11 ARG 39 1.835 6.068 -7.441 312 HH22 ARG 39 HH12 ARG 39 2.491 5.531 -8.951 313 H ARG 40 H ARG 40 -6.404 3.744 -8.176 314 HA ARG 40 HA ARG 40 -8.137 3.977 -10.394 315 HB2 ARG 40 HB2 ARG 40 -8.508 2.567 -7.744 316 HB3 ARG 40 HB3 ARG 40 -9.575 2.379 -9.137 317 HG2 ARG 40 HG2 ARG 40 -6.594 1.886 -9.267 318 HG3 ARG 40 HG3 ARG 40 -7.765 0.614 -8.924 319 HD2 ARG 40 HD2 ARG 40 -8.921 1.158 -11.071 320 HD3 ARG 40 HD3 ARG 40 -7.653 2.329 -11.422 321 HE ARG 40 HE ARG 40 -7.459 -0.535 -11.669 322 HH11 ARG 40 HH21 ARG 40 -5.732 2.411 -11.061 323 HH12 ARG 40 HH22 ARG 40 -4.214 1.792 -11.617 324 HH21 ARG 40 HH11 ARG 40 -5.469 -1.343 -12.396 325 HH22 ARG 40 HH12 ARG 40 -4.065 -0.330 -12.372 326 H GLY 41 H GLY 41 -9.092 5.821 -10.677 327 HA2 GLY 41 HA2 GLY 41 -10.536 7.604 -10.402 328 HA3 GLY 41 HA3 GLY 41 -11.495 6.473 -9.457 329 H MET 42 H MET 42 -9.003 8.953 -9.310 330 HA MET 42 HA MET 42 -8.501 9.005 -6.555 331 HB2 MET 42 HB2 MET 42 -8.556 11.280 -8.554 332 HB3 MET 42 HB3 MET 42 -7.886 11.396 -6.926 333 HG2 MET 42 HG2 MET 42 -6.352 9.487 -7.489 334 HG3 MET 42 HG3 MET 42 -6.944 9.560 -9.148 335 HE1 MET 42 HE1 MET 42 -7.307 12.900 -9.469 336 HE2 MET 42 HE2 MET 42 -7.012 11.531 -10.539 337 HE3 MET 42 HE3 MET 42 -5.883 12.884 -10.519 338 H GLU 43 H GLU 43 -9.166 11.166 -5.275 339 HA GLU 43 HA GLU 43 -11.925 10.859 -4.647 340 HB2 GLU 43 HB2 GLU 43 -9.834 12.873 -3.819 341 HB3 GLU 43 HB3 GLU 43 -11.496 12.944 -3.232 342 HG2 GLU 43 HG2 GLU 43 -11.316 10.734 -2.259 343 HG3 GLU 43 HG3 GLU 43 -9.730 10.492 -2.990 344 HA PRO 44 HA PRO 44 -13.345 13.494 -8.020 345 HB2 PRO 44 HB2 PRO 44 -15.985 13.094 -6.756 346 HB3 PRO 44 HB3 PRO 44 -15.446 12.684 -8.393 347 HG2 PRO 44 HG2 PRO 44 -15.908 10.823 -6.512 348 HG3 PRO 44 HG3 PRO 44 -14.676 10.629 -7.770 349 HD2 PRO 44 HD2 PRO 44 -14.325 11.324 -4.878 350 HD3 PRO 44 HD3 PRO 44 -13.290 10.345 -5.941 351 H HIS 45 H HIS 45 -14.160 13.871 -4.609 352 HA HIS 45 HA HIS 45 -15.438 16.335 -4.618 353 HB2 HIS 45 HB2 HIS 45 -13.470 15.221 -2.604 354 HB3 HIS 45 HB3 HIS 45 -14.505 16.622 -2.323 355 HD2 HIS 45 HD2 HIS 45 -14.817 12.723 -2.557 356 HE1 HIS 45 HE1 HIS 45 -18.629 14.272 -1.613 357 HE2 HIS 45 HE2 HIS 45 -17.265 12.144 -1.858 358 H MET 46 H MET 46 -11.980 15.603 -4.749 359 HA MET 46 HA MET 46 -11.038 18.272 -4.563 360 HB2 MET 46 HB2 MET 46 -9.812 15.849 -5.914 361 HB3 MET 46 HB3 MET 46 -8.960 17.353 -5.566 362 HG2 MET 46 HG2 MET 46 -9.461 17.040 -3.144 363 HG3 MET 46 HG3 MET 46 -10.214 15.492 -3.526 364 HE1 MET 46 HE1 MET 46 -7.495 15.613 -1.433 365 HE2 MET 46 HE2 MET 46 -7.283 13.950 -1.972 366 HE3 MET 46 HE3 MET 46 -8.906 14.612 -1.803 367 H SER 47 H SER 47 -11.975 16.201 -7.259 368 HA SER 47 HA SER 47 -11.192 17.833 -9.396 369 HB2 SER 47 HB2 SER 47 -11.943 15.448 -9.559 370 HB3 SER 47 HB3 SER 47 -13.597 16.005 -9.330 371 HG SER 47 HG SER 47 -11.888 17.061 -11.324 372 H GLU 48 H GLU 48 -14.045 17.951 -7.342 373 HA GLU 48 HA GLU 48 -15.720 19.543 -8.917 374 HB2 GLU 48 HB2 GLU 48 -15.400 19.527 -5.905 375 HB3 GLU 48 HB3 GLU 48 -16.762 20.226 -6.781 376 HG2 GLU 48 HG2 GLU 48 -17.277 18.019 -7.755 377 HG3 GLU 48 HG3 GLU 48 -15.917 17.315 -6.886 378 H CYS 49 H CYS 49 -13.202 20.511 -6.597 379 HA CYS 49 HA CYS 49 -13.599 23.319 -6.978 380 HB2 CYS 49 HB2 CYS 49 -11.391 21.680 -5.739 381 HB3 CYS 49 HB3 CYS 49 -11.288 23.434 -5.871 382 H CYS 50 H CYS 50 -11.784 20.853 -8.611 383 HA CYS 50 HA CYS 50 -9.727 22.204 -9.833 384 HB2 CYS 50 HB2 CYS 50 -10.237 19.744 -9.977 385 HB3 CYS 50 HB3 CYS 50 -11.411 20.137 -11.237 386 H GLU 51 H GLU 51 -13.085 22.005 -11.053 387 HA GLU 51 HA GLU 51 -12.641 23.271 -13.503 388 HB2 GLU 51 HB2 GLU 51 -15.092 23.197 -11.742 389 HB3 GLU 51 HB3 GLU 51 -15.086 23.913 -13.353 390 HG2 GLU 51 HG2 GLU 51 -15.781 21.703 -13.761 391 HG3 GLU 51 HG3 GLU 51 -14.059 21.658 -14.127 392 H GLN 52 H GLN 52 -13.141 24.691 -10.312 393 HA GLN 52 HA GLN 52 -13.656 27.333 -11.078 394 HB2 GLN 52 HB2 GLN 52 -12.578 26.010 -8.640 395 HB3 GLN 52 HB3 GLN 52 -12.354 27.754 -8.788 396 HG2 GLN 52 HG2 GLN 52 -14.457 27.400 -7.674 397 HG3 GLN 52 HG3 GLN 52 -14.799 27.934 -9.313 398 HE21 GLN 52 HE21 GLN 52 -16.355 26.691 -10.361 399 HE22 GLN 52 HE22 GLN 52 -16.690 25.062 -10.018 400 H LEU 53 H LEU 53 -10.524 26.054 -9.973 401 HA LEU 53 HA LEU 53 -8.959 28.280 -10.653 402 HB2 LEU 53 HB2 LEU 53 -7.855 25.510 -10.926 403 HB3 LEU 53 HB3 LEU 53 -7.109 26.928 -10.226 404 HG LEU 53 HG LEU 53 -7.592 25.826 -8.275 405 HD11 LEU 53 HD11 LEU 53 -9.436 27.830 -8.761 406 HD12 LEU 53 HD12 LEU 53 -9.217 27.010 -7.221 407 HD13 LEU 53 HD13 LEU 53 -10.468 26.466 -8.331 408 HD21 LEU 53 HD21 LEU 53 -9.533 24.219 -8.112 409 HD22 LEU 53 HD22 LEU 53 -8.338 23.804 -9.339 410 HD23 LEU 53 HD23 LEU 53 -9.862 24.548 -9.812 411 H GLU 54 H GLU 54 -9.469 25.262 -12.330 412 HA GLU 54 HA GLU 54 -8.011 25.657 -14.627 413 HB2 GLU 54 HB2 GLU 54 -8.972 23.559 -13.913 414 HB3 GLU 54 HB3 GLU 54 -10.601 24.165 -14.193 415 HG2 GLU 54 HG2 GLU 54 -10.009 24.490 -16.612 416 HG3 GLU 54 HG3 GLU 54 -8.436 23.766 -16.291 417 H GLY 55 H GLY 55 -11.166 26.928 -13.769 418 HA2 GLY 55 HA2 GLY 55 -11.591 27.996 -16.470 419 HA3 GLY 55 HA3 GLY 55 -12.743 28.043 -15.136 420 H MET 56 H MET 56 -10.241 28.935 -13.481 421 HA MET 56 HA MET 56 -10.758 31.782 -13.792 422 HB2 MET 56 HB2 MET 56 -10.722 30.935 -11.543 423 HB3 MET 56 HB3 MET 56 -9.139 30.202 -11.787 424 HG2 MET 56 HG2 MET 56 -8.110 32.388 -12.044 425 HG3 MET 56 HG3 MET 56 -9.683 33.180 -11.971 426 HE1 MET 56 HE1 MET 56 -11.116 32.122 -8.765 427 HE2 MET 56 HE2 MET 56 -11.282 32.732 -10.409 428 HE3 MET 56 HE3 MET 56 -10.779 33.821 -9.119 429 H ASP 57 H ASP 57 -9.175 33.369 -14.125 430 HA ASP 57 HA ASP 57 -7.309 32.914 -16.147 431 HB2 ASP 57 HB2 ASP 57 -7.362 35.099 -14.053 432 HB3 ASP 57 HB3 ASP 57 -6.367 35.129 -15.505 433 H GLU 58 H GLU 58 -5.053 32.721 -16.178 434 HA GLU 58 HA GLU 58 -3.882 30.969 -14.367 435 HB2 GLU 58 HB2 GLU 58 -2.924 31.248 -16.543 436 HB3 GLU 58 HB3 GLU 58 -2.618 32.962 -16.252 437 HG2 GLU 58 HG2 GLU 58 -1.090 32.346 -14.390 438 HG3 GLU 58 HG3 GLU 58 -1.345 30.645 -14.773 439 H SER 59 H SER 59 -3.164 34.465 -14.642 440 HA SER 59 HA SER 59 -1.501 34.655 -12.408 441 HB2 SER 59 HB2 SER 59 -3.376 36.744 -13.543 442 HB3 SER 59 HB3 SER 59 -2.049 37.065 -12.433 443 HG SER 59 HG SER 59 -0.626 36.260 -14.002 444 H CYS 60 H CYS 60 -4.971 34.711 -12.694 445 HA CYS 60 HA CYS 60 -5.492 35.505 -9.982 446 HB2 CYS 60 HB2 CYS 60 -7.292 34.230 -12.050 447 HB3 CYS 60 HB3 CYS 60 -7.829 34.910 -10.514 448 H ARG 61 H ARG 61 -4.869 32.514 -11.610 449 HA ARG 61 HA ARG 61 -6.102 30.707 -9.847 450 HB2 ARG 61 HB2 ARG 61 -5.126 30.162 -12.097 451 HB3 ARG 61 HB3 ARG 61 -3.524 30.272 -11.370 452 HG2 ARG 61 HG2 ARG 61 -4.229 28.522 -9.706 453 HG3 ARG 61 HG3 ARG 61 -5.731 28.340 -10.613 454 HD2 ARG 61 HD2 ARG 61 -2.927 27.880 -11.666 455 HD3 ARG 61 HD3 ARG 61 -4.138 26.643 -11.347 456 HE ARG 61 HE ARG 61 -4.115 28.526 -13.593 457 HH11 ARG 61 HH21 ARG 61 -5.741 26.049 -11.786 458 HH12 ARG 61 HH22 ARG 61 -6.852 25.669 -13.058 459 HH21 ARG 61 HH11 ARG 61 -5.570 28.030 -15.248 460 HH22 ARG 61 HH12 ARG 61 -6.755 26.789 -15.016 461 H CYS 62 H CYS 62 -2.834 32.129 -9.813 462 HA CYS 62 HA CYS 62 -1.801 30.684 -7.644 463 HB2 CYS 62 HB2 CYS 62 -1.057 33.557 -7.892 464 HB3 CYS 62 HB3 CYS 62 -0.027 32.141 -7.710 465 H GLU 63 H GLU 63 -3.212 33.954 -7.618 466 HA GLU 63 HA GLU 63 -3.276 34.343 -4.855 467 HB2 GLU 63 HB2 GLU 63 -3.652 36.088 -6.601 468 HB3 GLU 63 HB3 GLU 63 -5.254 35.409 -6.879 469 HG2 GLU 63 HG2 GLU 63 -5.797 35.798 -4.473 470 HG3 GLU 63 HG3 GLU 63 -4.225 36.566 -4.270 471 H GLY 64 H GLY 64 -5.702 32.880 -6.987 472 HA2 GLY 64 HA2 GLY 64 -7.823 32.692 -5.184 473 HA3 GLY 64 HA3 GLY 64 -7.569 31.620 -6.553 474 H LEU 65 H LEU 65 -5.395 30.175 -5.947 475 HA LEU 65 HA LEU 65 -6.324 28.228 -4.188 476 HB2 LEU 65 HB2 LEU 65 -3.471 28.787 -5.029 477 HB3 LEU 65 HB3 LEU 65 -4.044 27.287 -4.295 478 HG LEU 65 HG LEU 65 -5.001 28.456 -6.926 479 HD11 LEU 65 HD11 LEU 65 -3.269 26.069 -6.237 480 HD12 LEU 65 HD12 LEU 65 -2.803 27.487 -7.175 481 HD13 LEU 65 HD13 LEU 65 -3.970 26.341 -7.833 482 HD21 LEU 65 HD21 LEU 65 -6.875 27.329 -6.066 483 HD22 LEU 65 HD22 LEU 65 -5.888 26.113 -5.253 484 HD23 LEU 65 HD23 LEU 65 -6.071 26.073 -7.006 485 H ARG 66 H ARG 66 -3.816 30.699 -3.573 486 HA ARG 66 HA ARG 66 -3.216 29.950 -0.944 487 HB2 ARG 66 HB2 ARG 66 -3.162 32.691 -2.227 488 HB3 ARG 66 HB3 ARG 66 -2.420 32.296 -0.676 489 HG2 ARG 66 HG2 ARG 66 -1.063 30.534 -1.835 490 HG3 ARG 66 HG3 ARG 66 -1.726 31.090 -3.371 491 HD2 ARG 66 HD2 ARG 66 -0.857 33.402 -2.788 492 HD3 ARG 66 HD3 ARG 66 -0.012 32.661 -1.434 493 HE ARG 66 HE ARG 66 1.448 31.607 -2.956 494 HH11 ARG 66 HH21 ARG 66 -1.103 33.347 -4.537 495 HH12 ARG 66 HH22 ARG 66 -0.346 33.307 -6.093 496 HH21 ARG 66 HH11 ARG 66 2.434 31.554 -4.997 497 HH22 ARG 66 HH12 ARG 66 1.651 32.292 -6.354 498 H MET 67 H MET 67 -5.469 32.484 -2.053 499 HA MET 67 HA MET 67 -6.449 33.185 0.484 500 HB2 MET 67 HB2 MET 67 -6.988 34.760 -1.102 501 HB3 MET 67 HB3 MET 67 -7.379 33.554 -2.326 502 HG2 MET 67 HG2 MET 67 -9.535 33.284 -1.580 503 HG3 MET 67 HG3 MET 67 -9.111 33.609 0.101 504 HE1 MET 67 HE1 MET 67 -7.667 36.631 0.055 505 HE2 MET 67 HE2 MET 67 -8.600 35.565 1.102 506 HE3 MET 67 HE3 MET 67 -9.221 37.165 0.708 507 H MET 68 H MET 68 -7.785 30.926 -1.923 508 HA MET 68 HA MET 68 -10.131 30.257 -0.589 509 HB2 MET 68 HB2 MET 68 -8.381 28.716 -2.482 510 HB3 MET 68 HB3 MET 68 -9.864 28.029 -1.829 511 HG2 MET 68 HG2 MET 68 -9.667 29.641 -4.087 512 HG3 MET 68 HG3 MET 68 -11.151 29.251 -3.218 513 HE1 MET 68 HE1 MET 68 -12.664 31.264 -3.273 514 HE2 MET 68 HE2 MET 68 -12.436 32.349 -1.904 515 HE3 MET 68 HE3 MET 68 -12.359 30.606 -1.659 516 H MET 69 H MET 69 -6.878 28.879 -0.175 517 HA MET 69 HA MET 69 -7.492 26.673 1.388 518 HB2 MET 69 HB2 MET 69 -5.206 27.313 0.590 519 HB3 MET 69 HB3 MET 69 -5.158 28.546 1.849 520 HG2 MET 69 HG2 MET 69 -5.531 26.762 3.558 521 HG3 MET 69 HG3 MET 69 -5.452 25.557 2.273 522 HE1 MET 69 HE1 MET 69 -2.156 28.093 4.112 523 HE2 MET 69 HE2 MET 69 -3.894 28.123 4.396 524 HE3 MET 69 HE3 MET 69 -3.228 28.914 2.970 525 H ARG 70 H ARG 70 -6.900 30.004 2.462 526 HA ARG 70 HA ARG 70 -7.310 29.638 5.210 527 HB2 ARG 70 HB2 ARG 70 -6.298 31.649 4.163 528 HB3 ARG 70 HB3 ARG 70 -7.892 32.111 3.568 529 HG2 ARG 70 HG2 ARG 70 -8.738 32.213 5.882 530 HG3 ARG 70 HG3 ARG 70 -7.152 31.733 6.487 531 HD2 ARG 70 HD2 ARG 70 -7.300 34.135 6.661 532 HD3 ARG 70 HD3 ARG 70 -6.188 33.761 5.347 533 HE ARG 70 HE ARG 70 -8.880 34.089 4.408 534 HH11 ARG 70 HH21 ARG 70 -6.023 35.756 5.445 535 HH12 ARG 70 HH22 ARG 70 -6.361 37.185 4.526 536 HH21 ARG 70 HH11 ARG 70 -9.322 35.960 3.205 537 HH22 ARG 70 HH12 ARG 70 -8.226 37.300 3.260 538 H MET 71 H MET 71 -9.622 30.151 2.606 539 HA MET 71 HA MET 71 -11.855 30.918 4.089 540 HB2 MET 71 HB2 MET 71 -11.725 29.309 1.531 541 HB3 MET 71 HB3 MET 71 -13.178 30.068 2.173 542 HG2 MET 71 HG2 MET 71 -10.628 31.500 1.369 543 HG3 MET 71 HG3 MET 71 -12.151 31.523 0.485 544 HE1 MET 71 HE1 MET 71 -14.586 33.400 2.740 545 HE2 MET 71 HE2 MET 71 -14.343 31.657 2.683 546 HE3 MET 71 HE3 MET 71 -14.276 32.598 1.195 547 H MET 72 H MET 72 -10.457 27.728 3.598 548 HA MET 72 HA MET 72 -12.637 26.145 4.273 549 HB2 MET 72 HB2 MET 72 -9.715 25.706 4.935 550 HB3 MET 72 HB3 MET 72 -10.962 24.474 5.082 551 HG2 MET 72 HG2 MET 72 -9.896 25.776 2.581 552 HG3 MET 72 HG3 MET 72 -10.006 24.061 2.967 553 HE1 MET 72 HE1 MET 72 -12.944 27.189 2.255 554 HE2 MET 72 HE2 MET 72 -12.373 26.699 0.664 555 HE3 MET 72 HE3 MET 72 -11.212 27.124 1.912 556 H GLN 73 H GLN 73 -10.242 27.661 6.361 557 HA GLN 73 HA GLN 73 -11.158 26.669 8.826 558 HB2 GLN 73 HB2 GLN 73 -9.654 29.199 8.123 559 HB3 GLN 73 HB3 GLN 73 -9.929 28.650 9.774 560 HG2 GLN 73 HG2 GLN 73 -7.692 27.971 8.786 561 HG3 GLN 73 HG3 GLN 73 -8.661 26.639 9.408 562 HE21 GLN 73 HE21 GLN 73 -8.359 28.432 6.273 563 HE22 GLN 73 HE22 GLN 73 -8.435 27.036 5.305 564 H GLN 74 H GLN 74 -11.881 29.686 7.105 565 HA GLN 74 HA GLN 74 -13.596 30.780 9.052 566 HB2 GLN 74 HB2 GLN 74 -12.821 32.333 7.523 567 HB3 GLN 74 HB3 GLN 74 -13.137 31.283 6.143 568 HG2 GLN 74 HG2 GLN 74 -15.567 31.863 7.652 569 HG3 GLN 74 HG3 GLN 74 -14.796 33.335 7.056 570 HE21 GLN 74 HE21 GLN 74 -14.395 30.281 5.353 571 HE22 GLN 74 HE22 GLN 74 -15.358 30.686 4.028 572 H LYS 75 H LYS 75 -14.358 28.971 6.088 573 HA LYS 75 HA LYS 75 -17.139 29.079 6.307 574 HB2 LYS 75 HB2 LYS 75 -15.847 28.294 4.316 575 HB3 LYS 75 HB3 LYS 75 -15.499 26.799 5.180 576 HG2 LYS 75 HG2 LYS 75 -17.403 26.298 3.850 577 HG3 LYS 75 HG3 LYS 75 -18.045 26.563 5.470 578 HD2 LYS 75 HD2 LYS 75 -18.687 28.843 4.892 579 HD3 LYS 75 HD3 LYS 75 -17.931 28.686 3.306 580 HE2 LYS 75 HE2 LYS 75 -20.346 28.353 3.099 581 HE3 LYS 75 HE3 LYS 75 -19.509 26.836 2.769 582 HZ1 LYS 75 HZ1 LYS 75 -20.038 26.018 4.893 583 HZ2 LYS 75 HZ2 LYS 75 -21.477 26.703 4.304 584 HZ3 LYS 75 HZ3 LYS 75 -20.544 27.536 5.453 585 H GLU 76 H GLU 76 -14.897 26.583 7.450 586 HA GLU 76 HA GLU 76 -16.460 26.014 9.771 587 HB2 GLU 76 HB2 GLU 76 -17.842 24.907 7.981 588 HB3 GLU 76 HB3 GLU 76 -16.470 23.851 7.653 589 HG2 GLU 76 HG2 GLU 76 -17.941 22.687 9.177 590 HG3 GLU 76 HG3 GLU 76 -16.505 23.166 10.077 591 H MET 77 H MET 77 -14.184 26.505 10.438 592 HA MET 77 HA MET 77 -11.968 24.955 9.777 593 HB2 MET 77 HB2 MET 77 -11.903 27.017 11.176 594 HB3 MET 77 HB3 MET 77 -12.590 26.097 12.514 595 HG2 MET 77 HG2 MET 77 -10.636 24.500 12.295 596 HG3 MET 77 HG3 MET 77 -9.924 25.634 11.148 597 HE1 MET 77 HE1 MET 77 -9.237 28.800 13.123 598 HE2 MET 77 HE2 MET 77 -10.683 28.457 12.178 599 HE3 MET 77 HE3 MET 77 -9.112 27.907 11.601 600 H GLN 78 H GLN 78 -12.511 22.776 9.540 601 HA GLN 78 HA GLN 78 -13.843 21.174 11.421 602 HB2 GLN 78 HB2 GLN 78 -12.057 20.703 9.100 603 HB3 GLN 78 HB3 GLN 78 -12.191 19.381 10.260 604 HG2 GLN 78 HG2 GLN 78 -14.516 19.175 9.947 605 HG3 GLN 78 HG3 GLN 78 -14.656 20.782 9.239 606 HE21 GLN 78 HE21 GLN 78 -15.800 19.513 7.439 607 HE22 GLN 78 HE22 GLN 78 -14.832 18.821 6.229 608 HA PRO 79 HA PRO 79 -10.548 20.758 14.389 609 HB2 PRO 79 HB2 PRO 79 -11.767 19.173 16.157 610 HB3 PRO 79 HB3 PRO 79 -12.412 20.793 15.815 611 HG2 PRO 79 HG2 PRO 79 -13.384 18.142 14.912 612 HG3 PRO 79 HG3 PRO 79 -14.296 19.604 15.317 613 HD2 PRO 79 HD2 PRO 79 -13.558 18.736 12.707 614 HD3 PRO 79 HD3 PRO 79 -14.267 20.307 13.143 615 H ARG 80 H ARG 80 -8.826 19.657 13.726 616 HA ARG 80 HA ARG 80 -8.458 16.909 14.290 617 HB2 ARG 80 HB2 ARG 80 -8.877 17.665 11.399 618 HB3 ARG 80 HB3 ARG 80 -7.831 16.318 11.842 619 HG2 ARG 80 HG2 ARG 80 -9.890 15.536 13.270 620 HG3 ARG 80 HG3 ARG 80 -10.801 16.608 12.204 621 HD2 ARG 80 HD2 ARG 80 -9.817 15.428 10.240 622 HD3 ARG 80 HD3 ARG 80 -9.043 14.301 11.350 623 HE ARG 80 HE ARG 80 -11.973 14.613 11.435 624 HH11 ARG 80 HH21 ARG 80 -9.139 12.722 10.761 625 HH12 ARG 80 HH22 ARG 80 -10.002 11.224 10.671 626 HH21 ARG 80 HH11 ARG 80 -13.093 12.650 11.312 627 HH22 ARG 80 HH12 ARG 80 -12.234 11.183 10.981 628 H GLY 81 H GLY 81 -6.326 16.734 14.783 629 HA2 GLY 81 HA2 GLY 81 -4.556 18.923 14.002 630 HA3 GLY 81 HA3 GLY 81 -4.216 17.684 15.202 631 H GLU 82 H GLU 82 -3.888 15.445 14.315 632 HA GLU 82 HA GLU 82 -1.755 15.421 12.509 633 HB2 GLU 82 HB2 GLU 82 -2.165 13.685 14.214 634 HB3 GLU 82 HB3 GLU 82 -3.544 13.110 13.279 635 HG2 GLU 82 HG2 GLU 82 -1.620 11.726 12.745 636 HG3 GLU 82 HG3 GLU 82 -2.010 12.713 11.341 637 H GLN 83 H GLN 83 -5.158 14.478 11.934 638 HA GLN 83 HA GLN 83 -4.829 13.533 9.329 639 HB2 GLN 83 HB2 GLN 83 -6.886 13.269 10.704 640 HB3 GLN 83 HB3 GLN 83 -7.255 14.969 10.419 641 HG2 GLN 83 HG2 GLN 83 -8.480 13.618 8.806 642 HG3 GLN 83 HG3 GLN 83 -7.227 14.523 7.960 643 HE21 GLN 83 HE21 GLN 83 -7.017 12.950 6.233 644 HE22 GLN 83 HE22 GLN 83 -6.348 11.413 6.502 645 H MET 84 H MET 84 -6.165 16.744 10.178 646 HA MET 84 HA MET 84 -6.016 17.760 7.567 647 HB2 MET 84 HB2 MET 84 -6.147 19.111 10.253 648 HB3 MET 84 HB3 MET 84 -6.130 20.016 8.736 649 HG2 MET 84 HG2 MET 84 -8.121 18.767 7.960 650 HG3 MET 84 HG3 MET 84 -8.142 17.857 9.470 651 HE1 MET 84 HE1 MET 84 -8.227 20.980 7.643 652 HE2 MET 84 HE2 MET 84 -7.635 22.014 8.940 653 HE3 MET 84 HE3 MET 84 -9.335 22.071 8.485 654 H ARG 85 H ARG 85 -3.614 17.785 10.182 655 HA ARG 85 HA ARG 85 -1.818 19.643 9.114 656 HB2 ARG 85 HB2 ARG 85 -1.556 18.575 11.347 657 HB3 ARG 85 HB3 ARG 85 -1.101 17.069 10.549 658 HG2 ARG 85 HG2 ARG 85 0.807 18.220 9.475 659 HG3 ARG 85 HG3 ARG 85 0.353 19.720 10.284 660 HD2 ARG 85 HD2 ARG 85 2.077 18.747 11.620 661 HD3 ARG 85 HD3 ARG 85 0.569 18.458 12.483 662 HE ARG 85 HE ARG 85 0.860 16.209 10.971 663 HH11 ARG 85 HH21 ARG 85 2.904 17.953 13.162 664 HH12 ARG 85 HH22 ARG 85 3.787 16.552 13.666 665 HH21 ARG 85 HH11 ARG 85 2.020 14.374 11.630 666 HH22 ARG 85 HH12 ARG 85 3.287 14.529 12.801 667 H ARG 86 H ARG 86 -1.991 16.126 8.587 668 HA ARG 86 HA ARG 86 0.064 15.969 6.655 669 HB2 ARG 86 HB2 ARG 86 -2.379 14.237 7.111 670 HB3 ARG 86 HB3 ARG 86 -1.079 13.831 5.991 671 HG2 ARG 86 HG2 ARG 86 0.546 13.849 7.825 672 HG3 ARG 86 HG3 ARG 86 -0.712 14.334 8.961 673 HD2 ARG 86 HD2 ARG 86 -0.373 11.934 9.147 674 HD3 ARG 86 HD3 ARG 86 -1.949 12.231 8.425 675 HE ARG 86 HE ARG 86 0.442 11.225 7.021 676 HH11 ARG 86 HH21 ARG 86 -2.928 12.071 7.047 677 HH12 ARG 86 HH22 ARG 86 -3.281 11.240 5.570 678 HH21 ARG 86 HH11 ARG 86 -0.030 10.144 5.089 679 HH22 ARG 86 HH12 ARG 86 -1.646 10.153 4.464 680 H MET 87 H MET 87 -3.400 16.575 6.451 681 HA MET 87 HA MET 87 -3.761 16.444 3.695 682 HB2 MET 87 HB2 MET 87 -5.558 16.719 5.461 683 HB3 MET 87 HB3 MET 87 -5.157 18.437 5.475 684 HG2 MET 87 HG2 MET 87 -5.405 17.639 2.744 685 HG3 MET 87 HG3 MET 87 -6.811 17.020 3.604 686 HE1 MET 87 HE1 MET 87 -7.182 18.463 5.801 687 HE2 MET 87 HE2 MET 87 -8.541 19.416 5.219 688 HE3 MET 87 HE3 MET 87 -7.121 20.228 5.870 689 H MET 88 H MET 88 -2.223 18.929 5.629 690 HA MET 88 HA MET 88 -2.427 21.192 4.100 691 HB2 MET 88 HB2 MET 88 -1.054 20.956 6.183 692 HB3 MET 88 HB3 MET 88 0.181 20.138 5.226 693 HG2 MET 88 HG2 MET 88 -0.415 22.479 3.789 694 HG3 MET 88 HG3 MET 88 -0.351 22.982 5.477 695 HE1 MET 88 HE1 MET 88 1.218 21.805 7.040 696 HE2 MET 88 HE2 MET 88 2.960 21.799 6.779 697 HE3 MET 88 HE3 MET 88 2.007 20.383 6.344 698 H ARG 89 H ARG 89 0.028 18.641 3.623 699 HA ARG 89 HA ARG 89 1.039 19.606 1.168 700 HB2 ARG 89 HB2 ARG 89 0.922 16.772 2.242 701 HB3 ARG 89 HB3 ARG 89 1.930 17.311 0.898 702 HG2 ARG 89 HG2 ARG 89 3.050 18.933 2.415 703 HG3 ARG 89 HG3 ARG 89 2.080 18.322 3.755 704 HD2 ARG 89 HD2 ARG 89 4.055 16.722 2.102 705 HD3 ARG 89 HD3 ARG 89 4.278 17.246 3.769 706 HE ARG 89 HE ARG 89 2.786 14.964 2.893 707 HH11 ARG 89 HH21 ARG 89 2.930 17.491 5.264 708 HH12 ARG 89 HH22 ARG 89 2.065 16.593 6.467 709 HH21 ARG 89 HH11 ARG 89 1.653 13.792 4.469 710 HH22 ARG 89 HH12 ARG 89 1.343 14.503 6.017 711 H LEU 90 H LEU 90 -1.550 17.364 1.986 712 HA LEU 90 HA LEU 90 -2.236 16.424 -0.558 713 HB2 LEU 90 HB2 LEU 90 -3.077 15.388 1.453 714 HB3 LEU 90 HB3 LEU 90 -3.887 16.874 1.926 715 HG LEU 90 HG LEU 90 -5.304 16.708 -0.128 716 HD11 LEU 90 HD11 LEU 90 -5.316 14.293 -1.072 717 HD12 LEU 90 HD12 LEU 90 -3.692 14.185 -0.394 718 HD13 LEU 90 HD13 LEU 90 -4.057 15.398 -1.621 719 HD21 LEU 90 HD21 LEU 90 -5.518 14.142 1.435 720 HD22 LEU 90 HD22 LEU 90 -6.809 15.194 0.857 721 HD23 LEU 90 HD23 LEU 90 -5.812 15.691 2.222 722 H ALA 91 H ALA 91 -3.329 19.304 1.205 723 HA ALA 91 HA ALA 91 -5.372 20.125 -0.505 724 HB1 ALA 91 HB1 ALA 91 -3.455 21.950 0.959 725 HB2 ALA 91 HB2 ALA 91 -4.811 21.124 1.727 726 HB3 ALA 91 HB3 ALA 91 -5.107 22.315 0.461 727 H GLU 92 H GLU 92 -1.908 20.929 -0.594 728 HA GLU 92 HA GLU 92 -1.958 22.607 -2.850 729 HB2 GLU 92 HB2 GLU 92 -0.037 22.302 -1.247 730 HB3 GLU 92 HB3 GLU 92 0.306 20.768 -2.045 731 HG2 GLU 92 HG2 GLU 92 -0.031 23.104 -3.846 732 HG3 GLU 92 HG3 GLU 92 1.399 23.135 -2.818 733 H ASN 93 H ASN 93 -2.015 19.123 -2.564 734 HA ASN 93 HA ASN 93 -1.235 18.520 -5.234 735 HB2 ASN 93 HB2 ASN 93 -1.253 16.923 -3.266 736 HB3 ASN 93 HB3 ASN 93 -3.004 16.826 -3.468 737 HD21 ASN 93 HD21 ASN 93 -3.732 15.271 -4.933 738 HD22 ASN 93 HD22 ASN 93 -2.767 14.532 -6.118 739 H ILE 94 H ILE 94 -4.350 19.211 -3.717 740 HA ILE 94 HA ILE 94 -6.086 18.310 -5.680 741 HB ILE 94 HB ILE 94 -6.314 20.738 -3.893 742 HG12 ILE 94 HG12 ILE 94 -7.627 18.017 -3.698 743 HG13 ILE 94 HG13 ILE 94 -6.112 18.410 -2.885 744 HG21 ILE 94 HG21 ILE 94 -7.882 21.158 -5.615 745 HG22 ILE 94 HG22 ILE 94 -8.826 20.329 -4.379 746 HG23 ILE 94 HG23 ILE 94 -8.266 19.447 -5.800 747 HD11 ILE 94 HD11 ILE 94 -7.857 20.538 -2.280 748 HD12 ILE 94 HD12 ILE 94 -7.324 19.260 -1.189 749 HD13 ILE 94 HD13 ILE 94 -8.820 19.072 -2.102 750 HA PRO 95 HA PRO 95 -5.780 22.529 -8.009 751 HB2 PRO 95 HB2 PRO 95 -3.574 24.081 -7.459 752 HB3 PRO 95 HB3 PRO 95 -5.149 24.281 -6.669 753 HG2 PRO 95 HG2 PRO 95 -2.700 22.918 -5.688 754 HG3 PRO 95 HG3 PRO 95 -3.858 23.932 -4.812 755 HD2 PRO 95 HD2 PRO 95 -3.884 21.218 -4.637 756 HD3 PRO 95 HD3 PRO 95 -5.357 22.199 -4.502 757 H SER 96 H SER 96 -2.990 20.611 -7.221 758 HA SER 96 HA SER 96 -1.319 21.162 -9.431 759 HB2 SER 96 HB2 SER 96 -1.611 18.510 -8.000 760 HB3 SER 96 HB3 SER 96 -0.222 19.068 -8.927 761 HG SER 96 HG SER 96 -1.261 20.219 -6.544 762 H ARG 97 H ARG 97 -4.046 19.192 -8.854 763 HA ARG 97 HA ARG 97 -4.127 17.476 -11.010 764 HB2 ARG 97 HB2 ARG 97 -6.384 18.924 -9.614 765 HB3 ARG 97 HB3 ARG 97 -6.539 17.485 -10.580 766 HG2 ARG 97 HG2 ARG 97 -4.744 17.608 -8.171 767 HG3 ARG 97 HG3 ARG 97 -6.422 17.082 -8.080 768 HD2 ARG 97 HD2 ARG 97 -5.920 15.325 -9.782 769 HD3 ARG 97 HD3 ARG 97 -4.230 15.818 -9.750 770 HE ARG 97 HE ARG 97 -3.996 14.653 -7.764 771 HH11 ARG 97 HH21 ARG 97 -7.343 15.323 -8.377 772 HH12 ARG 97 HH22 ARG 97 -7.913 14.394 -7.031 773 HH21 ARG 97 HH11 ARG 97 -4.744 13.439 -6.004 774 HH22 ARG 97 HH12 ARG 97 -6.444 13.329 -5.690 775 H CYS 98 H CYS 98 -5.201 20.862 -10.788 776 HA CYS 98 HA CYS 98 -5.863 20.833 -13.657 777 HB2 CYS 98 HB2 CYS 98 -6.391 23.270 -12.087 778 HB3 CYS 98 HB3 CYS 98 -7.404 22.439 -13.261 779 H ASN 99 H ASN 99 -3.436 21.728 -11.464 780 HA ASN 99 HA ASN 99 -2.639 24.167 -12.477 781 HB2 ASN 99 HB2 ASN 99 -1.026 21.995 -11.210 782 HB3 ASN 99 HB3 ASN 99 -0.282 23.446 -11.904 783 HD21 ASN 99 HD21 ASN 99 -2.326 25.336 -11.301 784 HD22 ASN 99 HD22 ASN 99 -2.404 25.529 -9.619 785 H LEU 100 H LEU 100 -1.128 24.811 -13.793 786 HA LEU 100 HA LEU 100 -0.264 23.086 -15.994 787 HB2 LEU 100 HB2 LEU 100 -1.393 25.289 -17.257 788 HB3 LEU 100 HB3 LEU 100 -2.136 23.693 -17.129 789 HG LEU 100 HG LEU 100 -2.946 24.554 -14.751 790 HD11 LEU 100 HD11 LEU 100 -2.032 26.597 -14.368 791 HD12 LEU 100 HD12 LEU 100 -3.460 27.136 -15.250 792 HD13 LEU 100 HD13 LEU 100 -1.912 26.994 -16.082 793 HD21 LEU 100 HD21 LEU 100 -4.218 25.728 -17.213 794 HD22 LEU 100 HD22 LEU 100 -4.996 25.291 -15.691 795 HD23 LEU 100 HD23 LEU 100 -4.359 24.033 -16.748 796 H SER 101 H SER 101 1.628 23.800 -16.873 797 HA SER 101 HA SER 101 3.454 25.375 -15.709 798 HB2 SER 101 HB2 SER 101 4.354 25.876 -18.032 799 HB3 SER 101 HB3 SER 101 4.082 24.175 -17.666 800 HG SER 101 HG SER 101 2.027 24.412 -18.713 801 HA PRO 102 HA PRO 102 1.254 29.334 -16.092 802 HB2 PRO 102 HB2 PRO 102 2.272 30.073 -13.514 803 HB3 PRO 102 HB3 PRO 102 0.628 29.554 -13.919 804 HG2 PRO 102 HG2 PRO 102 2.387 28.129 -12.343 805 HG3 PRO 102 HG3 PRO 102 0.989 27.441 -13.190 806 HD2 PRO 102 HD2 PRO 102 3.880 27.405 -14.006 807 HD3 PRO 102 HD3 PRO 102 2.644 26.128 -14.145 808 H MET 103 H MET 103 2.050 31.323 -16.732 809 HA MET 103 HA MET 103 4.867 31.509 -17.268 810 HB2 MET 103 HB2 MET 103 3.110 32.414 -18.790 811 HB3 MET 103 HB3 MET 103 2.733 33.635 -17.575 812 HG2 MET 103 HG2 MET 103 5.102 34.415 -17.673 813 HG3 MET 103 HG3 MET 103 5.402 33.252 -18.965 814 HE1 MET 103 HE1 MET 103 6.252 35.099 -20.563 815 HE2 MET 103 HE2 MET 103 6.044 36.242 -19.238 816 HE3 MET 103 HE3 MET 103 5.420 36.635 -20.838 817 H ARG 104 H ARG 104 2.642 33.596 -15.386 818 HA ARG 104 HA ARG 104 4.728 34.009 -13.379 819 HB2 ARG 104 HB2 ARG 104 3.645 36.173 -15.167 820 HB3 ARG 104 HB3 ARG 104 4.219 36.549 -13.545 821 HG2 ARG 104 HG2 ARG 104 5.873 35.081 -15.622 822 HG3 ARG 104 HG3 ARG 104 5.971 36.816 -15.333 823 HD2 ARG 104 HD2 ARG 104 6.598 34.602 -13.364 824 HD3 ARG 104 HD3 ARG 104 7.728 35.761 -14.055 825 HE ARG 104 HE ARG 104 6.123 37.453 -12.843 826 HH11 ARG 104 HH21 ARG 104 7.200 34.338 -11.755 827 HH12 ARG 104 HH22 ARG 104 7.051 34.729 -10.076 828 HH21 ARG 104 HH11 ARG 104 5.924 37.955 -10.645 829 HH22 ARG 104 HH12 ARG 104 6.329 36.771 -9.449 830 H CYS 105 H CYS 105 3.981 34.708 -11.393 831 HA CYS 105 HA CYS 105 1.038 34.831 -11.074 832 HB2 CYS 105 HB2 CYS 105 3.167 33.586 -9.339 833 HB3 CYS 105 HB3 CYS 105 1.608 34.068 -8.668 834 HA PRO 106 HA PRO 106 2.507 39.020 -10.011 835 HB2 PRO 106 HB2 PRO 106 -0.395 39.574 -10.029 836 HB3 PRO 106 HB3 PRO 106 0.911 40.365 -10.931 837 HG2 PRO 106 HG2 PRO 106 -0.856 38.728 -12.108 838 HG3 PRO 106 HG3 PRO 106 0.828 38.854 -12.643 839 HD2 PRO 106 HD2 PRO 106 -0.481 36.685 -11.044 840 HD3 PRO 106 HD3 PRO 106 0.806 36.571 -12.265 841 H MET 107 H MET 107 1.157 36.724 -8.204 842 HA MET 107 HA MET 107 0.025 38.238 -6.043 843 HB2 MET 107 HB2 MET 107 0.990 35.425 -6.353 844 HB3 MET 107 HB3 MET 107 0.248 36.015 -4.867 845 HG2 MET 107 HG2 MET 107 -1.486 34.962 -6.208 846 HG3 MET 107 HG3 MET 107 -1.757 36.703 -6.214 847 HE1 MET 107 HE1 MET 107 -1.783 38.151 -7.963 848 HE2 MET 107 HE2 MET 107 -3.088 37.080 -8.467 849 HE3 MET 107 HE3 MET 107 -1.944 37.687 -9.661 850 H GLY 108 H GLY 108 1.663 39.751 -5.581 851 HA2 GLY 108 HA2 GLY 108 3.301 40.501 -4.163 852 HA3 GLY 108 HA3 GLY 108 3.545 38.857 -3.607 853 H GLY 109 H GLY 109 3.669 39.668 -6.999 854 HA2 GLY 109 HA2 GLY 109 5.351 39.339 -8.551 855 HA3 GLY 109 HA3 GLY 109 6.280 40.364 -7.462 856 H SER 110 H SER 110 5.175 36.979 -7.723 857 HA SER 110 HA SER 110 7.012 35.799 -6.008 858 HB2 SER 110 HB2 SER 110 5.918 34.628 -8.574 859 HB3 SER 110 HB3 SER 110 6.592 33.723 -7.223 860 HG SER 110 HG SER 110 4.312 35.422 -7.170 861 H ILE 111 H ILE 111 9.015 34.793 -6.299 862 HA ILE 111 HA ILE 111 10.537 35.676 -8.684 863 HB ILE 111 HB ILE 111 11.547 35.314 -5.848 864 HG12 ILE 111 HG12 ILE 111 11.242 37.836 -7.515 865 HG13 ILE 111 HG13 ILE 111 10.114 37.344 -6.250 866 HG21 ILE 111 HG21 ILE 111 13.263 34.739 -7.481 867 HG22 ILE 111 HG22 ILE 111 13.634 36.324 -6.806 868 HG23 ILE 111 HG23 ILE 111 12.914 36.196 -8.411 869 HD11 ILE 111 HD11 ILE 111 12.090 37.292 -4.656 870 HD12 ILE 111 HD12 ILE 111 11.649 38.895 -5.244 871 HD13 ILE 111 HD13 ILE 111 13.041 38.057 -5.930 872 H ALA 112 H ALA 112 10.329 33.226 -6.122 873 HA ALA 112 HA ALA 112 12.010 31.315 -7.409 874 HB1 ALA 112 HB1 ALA 112 9.841 30.798 -5.364 875 HB2 ALA 112 HB2 ALA 112 11.452 31.371 -4.934 876 HB3 ALA 112 HB3 ALA 112 11.252 29.797 -5.703 877 H GLY 113 H GLY 113 10.496 28.978 -7.394 878 HA2 GLY 113 HA2 GLY 113 8.947 29.442 -9.777 879 HA3 GLY 113 HA3 GLY 113 9.151 27.878 -8.965 880 H PHE 114 H PHE 114 7.304 30.748 -9.235 881 HA PHE 114 HA PHE 114 5.756 30.981 -7.047 882 HB2 PHE 114 HB2 PHE 114 3.797 31.356 -8.813 883 HB3 PHE 114 HB3 PHE 114 5.134 32.495 -8.656 884 HD1 PHE 114 HD2 PHE 114 6.929 32.581 -10.318 885 HD2 PHE 114 HD1 PHE 114 3.656 29.828 -10.722 886 HE1 PHE 114 HE2 PHE 114 7.567 32.169 -12.678 887 HE2 PHE 114 HE1 PHE 114 4.297 29.416 -13.080 888 HZ PHE 114 HZ PHE 114 6.251 30.586 -14.059 Start of MODEL 10 1 H1 GLU 1 H1 GLU 1 2.440 43.240 -5.250 2 H2 GLU 1 H2 GLU 1 1.879 44.816 -5.549 3 H3 GLU 1 H3 GLU 1 2.624 43.927 -6.790 4 HA GLU 1 HA GLU 1 0.810 42.323 -6.756 5 HB2 GLU 1 HB2 GLU 1 0.233 42.690 -4.355 6 HB3 GLU 1 HB3 GLU 1 -0.425 44.268 -4.782 7 HG2 GLU 1 HG2 GLU 1 -2.277 42.732 -4.707 8 HG3 GLU 1 HG3 GLU 1 -1.968 43.091 -6.403 9 H ALA 2 H ALA 2 -0.097 42.658 -8.683 10 HA ALA 2 HA ALA 2 -0.226 45.221 -9.904 11 HB1 ALA 2 HB1 ALA 2 0.050 43.156 -11.208 12 HB2 ALA 2 HB2 ALA 2 -1.376 44.047 -11.739 13 HB3 ALA 2 HB3 ALA 2 -1.557 42.623 -10.715 14 H GLU 3 H GLU 3 -1.957 46.555 -10.332 15 HA GLU 3 HA GLU 3 -4.030 46.688 -8.420 16 HB2 GLU 3 HB2 GLU 3 -4.861 48.551 -9.666 17 HB3 GLU 3 HB3 GLU 3 -3.104 48.610 -9.785 18 HG2 GLU 3 HG2 GLU 3 -4.971 47.455 -11.883 19 HG3 GLU 3 HG3 GLU 3 -4.165 49.017 -11.980 20 H ALA 4 H ALA 4 -3.747 44.986 -11.413 21 HA ALA 4 HA ALA 4 -6.533 44.679 -11.947 22 HB1 ALA 4 HB1 ALA 4 -4.860 44.402 -13.718 23 HB2 ALA 4 HB2 ALA 4 -5.808 42.927 -13.529 24 HB3 ALA 4 HB3 ALA 4 -4.176 43.017 -12.865 25 H GLN 5 H GLN 5 -4.730 43.565 -9.454 26 HA GLN 5 HA GLN 5 -5.317 40.890 -9.084 27 HB2 GLN 5 HB2 GLN 5 -3.907 42.231 -7.579 28 HB3 GLN 5 HB3 GLN 5 -5.339 43.103 -7.029 29 HG2 GLN 5 HG2 GLN 5 -6.305 40.901 -6.278 30 HG3 GLN 5 HG3 GLN 5 -4.773 40.140 -6.697 31 HE21 GLN 5 HE21 GLN 5 -3.704 39.737 -4.751 32 HE22 GLN 5 HE22 GLN 5 -3.539 40.861 -3.489 33 H GLU 6 H GLU 6 -7.365 43.722 -8.607 34 HA GLU 6 HA GLU 6 -9.489 42.632 -7.201 35 HB2 GLU 6 HB2 GLU 6 -10.853 44.406 -8.169 36 HB3 GLU 6 HB3 GLU 6 -9.252 45.031 -7.773 37 HG2 GLU 6 HG2 GLU 6 -8.588 44.586 -10.177 38 HG3 GLU 6 HG3 GLU 6 -10.282 44.228 -10.508 39 H GLU 7 H GLU 7 -8.816 42.460 -10.680 40 HA GLU 7 HA GLU 7 -11.220 41.327 -11.551 41 HB2 GLU 7 HB2 GLU 7 -9.609 42.074 -13.177 42 HB3 GLU 7 HB3 GLU 7 -8.384 40.974 -12.550 43 HG2 GLU 7 HG2 GLU 7 -10.933 39.702 -13.381 44 HG3 GLU 7 HG3 GLU 7 -9.967 40.387 -14.684 45 H CYS 8 H CYS 8 -8.302 39.883 -10.194 46 HA CYS 8 HA CYS 8 -9.126 37.196 -10.496 47 HB2 CYS 8 HB2 CYS 8 -7.149 38.399 -8.548 48 HB3 CYS 8 HB3 CYS 8 -7.309 36.681 -8.912 49 H ARG 9 H ARG 9 -9.167 39.406 -7.707 50 HA ARG 9 HA ARG 9 -10.298 37.695 -5.823 51 HB2 ARG 9 HB2 ARG 9 -9.391 39.984 -5.367 52 HB3 ARG 9 HB3 ARG 9 -10.851 40.661 -6.089 53 HG2 ARG 9 HG2 ARG 9 -12.226 39.452 -4.419 54 HG3 ARG 9 HG3 ARG 9 -10.756 38.810 -3.686 55 HD2 ARG 9 HD2 ARG 9 -9.992 41.165 -3.291 56 HD3 ARG 9 HD3 ARG 9 -11.551 41.727 -3.889 57 HE ARG 9 HE ARG 9 -12.503 41.084 -1.869 58 HH11 ARG 9 HH21 ARG 9 -9.358 39.675 -2.253 59 HH12 ARG 9 HH22 ARG 9 -9.292 39.054 -0.637 60 HH21 ARG 9 HH11 ARG 9 -12.415 40.270 0.245 61 HH22 ARG 9 HH12 ARG 9 -11.019 39.391 0.774 62 H GLU 10 H GLU 10 -11.852 39.720 -8.279 63 HA GLU 10 HA GLU 10 -14.527 39.311 -7.515 64 HB2 GLU 10 HB2 GLU 10 -13.941 41.015 -9.136 65 HB3 GLU 10 HB3 GLU 10 -13.312 39.800 -10.246 66 HG2 GLU 10 HG2 GLU 10 -16.138 39.507 -9.305 67 HG3 GLU 10 HG3 GLU 10 -15.791 40.756 -10.499 68 H GLN 11 H GLN 11 -12.513 37.563 -9.881 69 HA GLN 11 HA GLN 11 -14.430 35.654 -10.627 70 HB2 GLN 11 HB2 GLN 11 -11.412 35.517 -10.612 71 HB3 GLN 11 HB3 GLN 11 -12.442 34.276 -11.325 72 HG2 GLN 11 HG2 GLN 11 -13.470 35.982 -12.795 73 HG3 GLN 11 HG3 GLN 11 -12.413 37.208 -12.100 74 HE21 GLN 11 HE21 GLN 11 -12.334 36.618 -14.893 75 HE22 GLN 11 HE22 GLN 11 -10.843 35.887 -15.246 76 H MET 12 H MET 12 -12.144 35.694 -7.918 77 HA MET 12 HA MET 12 -12.311 33.043 -7.108 78 HB2 MET 12 HB2 MET 12 -12.095 35.553 -5.438 79 HB3 MET 12 HB3 MET 12 -11.932 33.930 -4.776 80 HG2 MET 12 HG2 MET 12 -10.211 35.147 -6.955 81 HG3 MET 12 HG3 MET 12 -9.717 34.841 -5.294 82 HE1 MET 12 HE1 MET 12 -9.626 32.677 -4.177 83 HE2 MET 12 HE2 MET 12 -9.624 31.079 -4.917 84 HE3 MET 12 HE3 MET 12 -11.144 31.945 -4.714 85 H GLN 13 H GLN 13 -14.560 35.716 -6.444 86 HA GLN 13 HA GLN 13 -16.270 34.326 -4.681 87 HB2 GLN 13 HB2 GLN 13 -16.964 36.510 -6.666 88 HB3 GLN 13 HB3 GLN 13 -17.967 35.998 -5.311 89 HG2 GLN 13 HG2 GLN 13 -16.113 36.593 -3.753 90 HG3 GLN 13 HG3 GLN 13 -15.189 37.199 -5.125 91 HE21 GLN 13 HE21 GLN 13 -18.324 37.916 -5.923 92 HE22 GLN 13 HE22 GLN 13 -18.436 39.472 -5.255 93 H ARG 14 H ARG 14 -16.361 34.732 -8.205 94 HA ARG 14 HA ARG 14 -18.656 33.233 -8.753 95 HB2 ARG 14 HB2 ARG 14 -17.425 34.755 -10.344 96 HB3 ARG 14 HB3 ARG 14 -16.176 33.520 -10.472 97 HG2 ARG 14 HG2 ARG 14 -17.757 31.924 -11.376 98 HG3 ARG 14 HG3 ARG 14 -19.100 33.036 -11.095 99 HD2 ARG 14 HD2 ARG 14 -18.535 33.258 -13.406 100 HD3 ARG 14 HD3 ARG 14 -17.898 34.687 -12.600 101 HE ARG 14 HE ARG 14 -15.724 33.907 -12.995 102 HH11 ARG 14 HH21 ARG 14 -18.112 31.529 -13.817 103 HH12 ARG 14 HH22 ARG 14 -16.997 30.509 -14.661 104 HH21 ARG 14 HH11 ARG 14 -14.267 32.567 -14.096 105 HH22 ARG 14 HH12 ARG 14 -14.824 31.095 -14.819 106 H GLN 15 H GLN 15 -15.234 32.437 -8.480 107 HA GLN 15 HA GLN 15 -15.639 29.647 -8.974 108 HB2 GLN 15 HB2 GLN 15 -13.329 31.397 -8.248 109 HB3 GLN 15 HB3 GLN 15 -13.198 29.672 -7.906 110 HG2 GLN 15 HG2 GLN 15 -12.318 30.204 -10.153 111 HG3 GLN 15 HG3 GLN 15 -13.727 29.153 -10.252 112 HE21 GLN 15 HE21 GLN 15 -15.753 30.094 -11.038 113 HE22 GLN 15 HE22 GLN 15 -15.765 31.583 -11.853 114 H GLN 16 H GLN 16 -17.363 29.466 -7.417 115 HA GLN 16 HA GLN 16 -16.777 29.652 -4.599 116 HB2 GLN 16 HB2 GLN 16 -19.121 28.441 -6.086 117 HB3 GLN 16 HB3 GLN 16 -19.045 28.679 -4.336 118 HG2 GLN 16 HG2 GLN 16 -18.743 31.098 -4.669 119 HG3 GLN 16 HG3 GLN 16 -18.789 30.871 -6.414 120 HE21 GLN 16 HE21 GLN 16 -20.657 32.598 -5.499 121 HE22 GLN 16 HE22 GLN 16 -22.197 31.891 -5.457 122 H MET 17 H MET 17 -14.881 28.119 -5.830 123 HA MET 17 HA MET 17 -15.362 25.327 -5.765 124 HB2 MET 17 HB2 MET 17 -13.245 25.195 -6.543 125 HB3 MET 17 HB3 MET 17 -13.302 26.949 -6.614 126 HG2 MET 17 HG2 MET 17 -12.622 26.403 -3.955 127 HG3 MET 17 HG3 MET 17 -11.706 25.231 -4.893 128 HE1 MET 17 HE1 MET 17 -12.327 29.477 -5.827 129 HE2 MET 17 HE2 MET 17 -11.560 29.510 -4.243 130 HE3 MET 17 HE3 MET 17 -13.010 28.541 -4.490 131 H LEU 18 H LEU 18 -14.590 27.676 -3.341 132 HA LEU 18 HA LEU 18 -13.566 25.986 -1.357 133 HB2 LEU 18 HB2 LEU 18 -13.859 27.771 0.154 134 HB3 LEU 18 HB3 LEU 18 -13.491 28.499 -1.397 135 HG LEU 18 HG LEU 18 -15.271 29.823 -1.007 136 HD11 LEU 18 HD11 LEU 18 -17.202 29.177 -2.028 137 HD12 LEU 18 HD12 LEU 18 -17.274 27.641 -1.179 138 HD13 LEU 18 HD13 LEU 18 -16.196 27.841 -2.554 139 HD21 LEU 18 HD21 LEU 18 -16.935 29.383 0.760 140 HD22 LEU 18 HD22 LEU 18 -15.289 29.161 1.354 141 HD23 LEU 18 HD23 LEU 18 -16.282 27.757 0.963 142 H SER 19 H SER 19 -16.700 26.115 -2.656 143 HA SER 19 HA SER 19 -18.086 25.192 -0.276 144 HB2 SER 19 HB2 SER 19 -19.246 26.525 -2.032 145 HB3 SER 19 HB3 SER 19 -18.990 25.207 -3.171 146 HG SER 19 HG SER 19 -20.199 23.871 -1.770 147 H HIS 20 H HIS 20 -17.228 23.834 -3.447 148 HA HIS 20 HA HIS 20 -17.897 21.144 -2.826 149 HB2 HIS 20 HB2 HIS 20 -15.695 21.760 -4.759 150 HB3 HIS 20 HB3 HIS 20 -17.038 20.632 -4.916 151 HD2 HIS 20 HD2 HIS 20 -19.523 22.791 -4.491 152 HE1 HIS 20 HE1 HIS 20 -17.753 24.883 -7.701 153 HE2 HIS 20 HE2 HIS 20 -19.862 24.630 -6.311 154 H CYS 21 H CYS 21 -15.070 23.160 -2.550 155 HA CYS 21 HA CYS 21 -13.180 21.222 -1.786 156 HB2 CYS 21 HB2 CYS 21 -13.449 24.196 -1.482 157 HB3 CYS 21 HB3 CYS 21 -12.151 23.348 -0.631 158 H ARG 22 H ARG 22 -15.377 23.305 0.110 159 HA ARG 22 HA ARG 22 -14.555 22.526 2.678 160 HB2 ARG 22 HB2 ARG 22 -16.154 24.387 2.195 161 HB3 ARG 22 HB3 ARG 22 -17.382 23.186 1.802 162 HG2 ARG 22 HG2 ARG 22 -17.741 23.819 4.093 163 HG3 ARG 22 HG3 ARG 22 -17.020 22.211 4.119 164 HD2 ARG 22 HD2 ARG 22 -15.018 24.351 4.109 165 HD3 ARG 22 HD3 ARG 22 -16.085 24.422 5.508 166 HE ARG 22 HE ARG 22 -15.179 21.755 5.084 167 HH11 ARG 22 HH21 ARG 22 -14.184 24.882 6.192 168 HH12 ARG 22 HH22 ARG 22 -12.973 24.266 7.266 169 HH21 ARG 22 HH11 ARG 22 -13.592 20.949 6.492 170 HH22 ARG 22 HH12 ARG 22 -12.639 22.044 7.435 171 H MET 23 H MET 23 -17.019 21.137 0.512 172 HA MET 23 HA MET 23 -17.880 19.058 2.196 173 HB2 MET 23 HB2 MET 23 -17.650 19.148 -0.827 174 HB3 MET 23 HB3 MET 23 -18.495 17.886 0.069 175 HG2 MET 23 HG2 MET 23 -19.954 19.630 1.088 176 HG3 MET 23 HG3 MET 23 -19.150 20.847 0.098 177 HE1 MET 23 HE1 MET 23 -22.167 20.618 0.069 178 HE2 MET 23 HE2 MET 23 -22.556 20.652 -1.650 179 HE3 MET 23 HE3 MET 23 -21.279 21.690 -1.022 180 H TYR 24 H TYR 24 -15.234 19.252 -0.150 181 HA TYR 24 HA TYR 24 -14.271 16.642 0.032 182 HB2 TYR 24 HB2 TYR 24 -13.018 17.606 -1.572 183 HB3 TYR 24 HB3 TYR 24 -13.295 19.219 -0.928 184 HD1 TYR 24 HD2 TYR 24 -11.415 16.091 -0.004 185 HD2 TYR 24 HD1 TYR 24 -11.440 20.385 -0.155 186 HE1 TYR 24 HE2 TYR 24 -9.099 16.138 0.879 187 HE2 TYR 24 HE1 TYR 24 -9.126 20.430 0.724 188 HH TYR 24 HH TYR 24 -7.076 18.250 0.592 189 H MET 25 H MET 25 -13.645 19.470 2.092 190 HA MET 25 HA MET 25 -11.662 18.360 3.740 191 HB2 MET 25 HB2 MET 25 -13.840 20.343 4.410 192 HB3 MET 25 HB3 MET 25 -12.468 19.982 5.452 193 HG2 MET 25 HG2 MET 25 -12.200 20.969 2.600 194 HG3 MET 25 HG3 MET 25 -12.135 22.021 4.013 195 HE1 MET 25 HE1 MET 25 -10.386 20.138 6.216 196 HE2 MET 25 HE2 MET 25 -10.760 21.822 5.865 197 HE3 MET 25 HE3 MET 25 -9.082 21.286 5.882 198 H ARG 26 H ARG 26 -15.215 18.225 3.947 199 HA ARG 26 HA ARG 26 -15.372 16.861 6.415 200 HB2 ARG 26 HB2 ARG 26 -17.308 17.898 5.200 201 HB3 ARG 26 HB3 ARG 26 -17.252 16.553 4.061 202 HG2 ARG 26 HG2 ARG 26 -17.565 14.970 5.957 203 HG3 ARG 26 HG3 ARG 26 -17.709 16.342 7.053 204 HD2 ARG 26 HD2 ARG 26 -19.511 15.801 4.675 205 HD3 ARG 26 HD3 ARG 26 -19.930 15.495 6.358 206 HE ARG 26 HE ARG 26 -19.198 18.161 6.255 207 HH11 ARG 26 HH21 ARG 26 -21.524 16.097 4.725 208 HH12 ARG 26 HH22 ARG 26 -22.694 17.354 4.505 209 HH21 ARG 26 HH11 ARG 26 -20.731 19.807 5.968 210 HH22 ARG 26 HH12 ARG 26 -22.246 19.452 5.208 211 H GLN 27 H GLN 27 -15.260 15.650 3.082 212 HA GLN 27 HA GLN 27 -15.276 12.887 3.699 213 HB2 GLN 27 HB2 GLN 27 -14.620 14.544 1.324 214 HB3 GLN 27 HB3 GLN 27 -13.844 12.963 1.393 215 HG2 GLN 27 HG2 GLN 27 -15.900 12.571 0.278 216 HG3 GLN 27 HG3 GLN 27 -16.174 12.020 1.929 217 HE21 GLN 27 HE21 GLN 27 -15.992 15.349 2.100 218 HE22 GLN 27 HE22 GLN 27 -17.656 15.710 1.959 219 H GLN 28 H GLN 28 -12.815 15.348 3.547 220 HA GLN 28 HA GLN 28 -10.555 13.693 3.582 221 HB2 GLN 28 HB2 GLN 28 -10.128 15.897 3.040 222 HB3 GLN 28 HB3 GLN 28 -11.173 16.520 4.303 223 HG2 GLN 28 HG2 GLN 28 -8.714 14.963 5.063 224 HG3 GLN 28 HG3 GLN 28 -8.550 16.647 4.578 225 HE21 GLN 28 HE21 GLN 28 -8.656 14.927 7.321 226 HE22 GLN 28 HE22 GLN 28 -9.524 15.982 8.327 227 H MET 29 H MET 29 -12.640 14.953 6.148 228 HA MET 29 HA MET 29 -11.033 14.089 8.327 229 HB2 MET 29 HB2 MET 29 -14.020 14.541 8.135 230 HB3 MET 29 HB3 MET 29 -13.164 14.219 9.639 231 HG2 MET 29 HG2 MET 29 -11.683 16.220 9.068 232 HG3 MET 29 HG3 MET 29 -12.853 16.602 7.807 233 HE1 MET 29 HE1 MET 29 -15.966 17.451 9.159 234 HE2 MET 29 HE2 MET 29 -15.906 15.814 9.808 235 HE3 MET 29 HE3 MET 29 -15.212 16.151 8.226 236 H GLU 30 H GLU 30 -13.988 12.636 6.896 237 HA GLU 30 HA GLU 30 -13.735 10.202 8.362 238 HB2 GLU 30 HB2 GLU 30 -15.235 10.822 5.807 239 HB3 GLU 30 HB3 GLU 30 -15.379 9.309 6.702 240 HG2 GLU 30 HG2 GLU 30 -17.119 10.456 7.681 241 HG3 GLU 30 HG3 GLU 30 -15.814 10.994 8.736 242 H GLU 31 H GLU 31 -12.961 11.024 5.002 243 HA GLU 31 HA GLU 31 -11.879 8.490 4.307 244 HB2 GLU 31 HB2 GLU 31 -12.767 10.335 2.758 245 HB3 GLU 31 HB3 GLU 31 -11.188 11.096 2.957 246 HG2 GLU 31 HG2 GLU 31 -10.112 8.993 2.176 247 HG3 GLU 31 HG3 GLU 31 -11.706 8.302 1.914 248 H SER 32 H SER 32 -10.677 10.780 6.390 249 HA SER 32 HA SER 32 -8.066 11.277 5.910 250 HB2 SER 32 HB2 SER 32 -7.675 11.207 8.324 251 HB3 SER 32 HB3 SER 32 -9.227 11.956 7.967 252 HG SER 32 HG SER 32 -8.850 9.214 8.614 253 H THR 33 H THR 33 -9.420 8.118 6.361 254 HA THR 33 HA THR 33 -6.986 6.807 7.106 255 HB THR 33 HB THR 33 -9.473 5.651 5.823 256 HG1 THR 33 HG1 THR 33 -8.715 6.202 8.484 257 HG21 THR 33 HG21 THR 33 -8.649 3.579 7.036 258 HG22 THR 33 HG22 THR 33 -7.129 4.433 7.303 259 HG23 THR 33 HG23 THR 33 -7.665 4.079 5.661 260 H TYR 34 H TYR 34 -8.856 6.460 4.073 261 HA TYR 34 HA TYR 34 -6.353 5.856 2.659 262 HB2 TYR 34 HB2 TYR 34 -7.665 4.711 1.025 263 HB3 TYR 34 HB3 TYR 34 -8.201 4.193 2.620 264 HD1 TYR 34 HD2 TYR 34 -10.332 5.088 3.579 265 HD2 TYR 34 HD1 TYR 34 -9.125 5.906 -0.462 266 HE1 TYR 34 HE2 TYR 34 -12.651 5.764 3.022 267 HE2 TYR 34 HE1 TYR 34 -11.444 6.580 -1.019 268 HH TYR 34 HH TYR 34 -13.563 7.537 0.794 269 H GLN 35 H GLN 35 -8.022 8.619 3.119 270 HA GLN 35 HA GLN 35 -8.787 9.791 0.819 271 HB2 GLN 35 HB2 GLN 35 -8.246 11.892 1.652 272 HB3 GLN 35 HB3 GLN 35 -8.451 10.914 3.107 273 HG2 GLN 35 HG2 GLN 35 -5.801 11.580 1.772 274 HG3 GLN 35 HG3 GLN 35 -6.422 12.330 3.238 275 HE21 GLN 35 HE21 GLN 35 -7.570 9.645 4.107 276 HE22 GLN 35 HE22 GLN 35 -6.231 8.792 4.698 277 H THR 36 H THR 36 -5.599 8.543 1.232 278 HA THR 36 HA THR 36 -4.131 10.266 -0.402 279 HB THR 36 HB THR 36 -3.881 7.244 -0.325 280 HG1 THR 36 HG1 THR 36 -3.891 8.374 1.745 281 HG21 THR 36 HG21 THR 36 -1.471 7.796 -0.754 282 HG22 THR 36 HG22 THR 36 -1.941 9.481 -0.971 283 HG23 THR 36 HG23 THR 36 -2.540 8.249 -2.081 284 H MET 37 H MET 37 -4.872 11.006 -2.256 285 HA MET 37 HA MET 37 -6.738 9.832 -3.949 286 HB2 MET 37 HB2 MET 37 -4.548 11.783 -4.685 287 HB3 MET 37 HB3 MET 37 -6.006 11.465 -5.625 288 HG2 MET 37 HG2 MET 37 -7.178 12.030 -3.284 289 HG3 MET 37 HG3 MET 37 -5.692 12.951 -3.055 290 HE1 MET 37 HE1 MET 37 -5.845 15.905 -5.142 291 HE2 MET 37 HE2 MET 37 -4.761 14.534 -5.366 292 HE3 MET 37 HE3 MET 37 -5.247 15.007 -3.740 293 HA PRO 38 HA PRO 38 -4.021 6.797 -5.862 294 HB2 PRO 38 HB2 PRO 38 -5.982 5.200 -6.818 295 HB3 PRO 38 HB3 PRO 38 -5.563 5.233 -5.094 296 HG2 PRO 38 HG2 PRO 38 -7.868 6.456 -6.504 297 HG3 PRO 38 HG3 PRO 38 -7.775 5.758 -4.880 298 HD2 PRO 38 HD2 PRO 38 -7.686 8.502 -5.485 299 HD3 PRO 38 HD3 PRO 38 -7.209 7.762 -3.940 300 H ARG 39 H ARG 39 -3.439 6.351 -8.052 301 HA ARG 39 HA ARG 39 -3.972 8.372 -9.949 302 HB2 ARG 39 HB2 ARG 39 -3.161 5.574 -10.693 303 HB3 ARG 39 HB3 ARG 39 -2.739 7.080 -11.500 304 HG2 ARG 39 HG2 ARG 39 -1.867 6.567 -8.654 305 HG3 ARG 39 HG3 ARG 39 -0.921 5.972 -10.014 306 HD2 ARG 39 HD2 ARG 39 -0.063 8.151 -9.341 307 HD3 ARG 39 HD3 ARG 39 -0.820 8.287 -10.924 308 HE ARG 39 HE ARG 39 -2.352 9.741 -9.983 309 HH11 ARG 39 HH21 ARG 39 -0.869 7.811 -7.512 310 HH12 ARG 39 HH22 ARG 39 -1.647 8.645 -6.209 311 HH21 ARG 39 HH11 ARG 39 -3.369 10.829 -8.278 312 HH22 ARG 39 HH12 ARG 39 -3.060 10.351 -6.641 313 H ARG 40 H ARG 40 -5.343 5.165 -9.420 314 HA ARG 40 HA ARG 40 -7.003 5.262 -11.758 315 HB2 ARG 40 HB2 ARG 40 -7.056 3.461 -9.328 316 HB3 ARG 40 HB3 ARG 40 -8.072 3.244 -10.753 317 HG2 ARG 40 HG2 ARG 40 -5.055 3.405 -10.892 318 HG3 ARG 40 HG3 ARG 40 -5.931 1.882 -10.740 319 HD2 ARG 40 HD2 ARG 40 -7.191 2.435 -12.817 320 HD3 ARG 40 HD3 ARG 40 -6.225 3.898 -12.985 321 HE ARG 40 HE ARG 40 -5.387 1.205 -13.597 322 HH11 ARG 40 HH21 ARG 40 -4.381 4.378 -12.623 323 HH12 ARG 40 HH22 ARG 40 -2.773 4.205 -13.241 324 HH21 ARG 40 HH11 ARG 40 -3.281 0.981 -14.406 325 HH22 ARG 40 HH12 ARG 40 -2.152 2.285 -14.251 326 H GLY 41 H GLY 41 -8.292 6.913 -11.797 327 HA2 GLY 41 HA2 GLY 41 -10.103 8.278 -11.348 328 HA3 GLY 41 HA3 GLY 41 -10.766 6.895 -10.484 329 H MET 42 H MET 42 -8.807 9.803 -10.180 330 HA MET 42 HA MET 42 -8.201 9.709 -7.444 331 HB2 MET 42 HB2 MET 42 -8.742 12.088 -9.234 332 HB3 MET 42 HB3 MET 42 -8.047 12.195 -7.617 333 HG2 MET 42 HG2 MET 42 -6.206 10.669 -8.361 334 HG3 MET 42 HG3 MET 42 -6.867 10.727 -9.994 335 HE1 MET 42 HE1 MET 42 -7.365 12.720 -11.244 336 HE2 MET 42 HE2 MET 42 -6.504 14.256 -11.181 337 HE3 MET 42 HE3 MET 42 -7.854 13.965 -10.087 338 H GLU 43 H GLU 43 -9.169 11.557 -5.937 339 HA GLU 43 HA GLU 43 -11.824 10.742 -5.300 340 HB2 GLU 43 HB2 GLU 43 -9.794 12.564 -4.178 341 HB3 GLU 43 HB3 GLU 43 -11.463 13.030 -3.852 342 HG2 GLU 43 HG2 GLU 43 -11.719 11.361 -2.359 343 HG3 GLU 43 HG3 GLU 43 -11.099 10.168 -3.498 344 HA PRO 44 HA PRO 44 -13.849 13.432 -8.266 345 HB2 PRO 44 HB2 PRO 44 -16.266 12.751 -6.693 346 HB3 PRO 44 HB3 PRO 44 -15.937 12.513 -8.419 347 HG2 PRO 44 HG2 PRO 44 -15.987 10.479 -6.676 348 HG3 PRO 44 HG3 PRO 44 -14.913 10.499 -8.084 349 HD2 PRO 44 HD2 PRO 44 -14.253 10.977 -5.205 350 HD3 PRO 44 HD3 PRO 44 -13.277 10.211 -6.480 351 H HIS 45 H HIS 45 -14.474 13.587 -4.771 352 HA HIS 45 HA HIS 45 -15.843 15.994 -4.596 353 HB2 HIS 45 HB2 HIS 45 -13.716 14.946 -2.707 354 HB3 HIS 45 HB3 HIS 45 -14.922 16.173 -2.320 355 HD2 HIS 45 HD2 HIS 45 -17.585 15.171 -2.010 356 HE1 HIS 45 HE1 HIS 45 -16.519 11.094 -2.251 357 HE2 HIS 45 HE2 HIS 45 -18.399 12.709 -1.708 358 H MET 46 H MET 46 -12.327 15.460 -4.629 359 HA MET 46 HA MET 46 -11.596 18.197 -4.456 360 HB2 MET 46 HB2 MET 46 -10.095 15.819 -5.585 361 HB3 MET 46 HB3 MET 46 -9.381 17.397 -5.253 362 HG2 MET 46 HG2 MET 46 -10.078 17.168 -2.865 363 HG3 MET 46 HG3 MET 46 -10.668 15.545 -3.225 364 HE1 MET 46 HE1 MET 46 -8.014 14.074 -1.493 365 HE2 MET 46 HE2 MET 46 -9.512 14.988 -1.335 366 HE3 MET 46 HE3 MET 46 -7.978 15.743 -0.908 367 H SER 47 H SER 47 -12.231 16.022 -7.156 368 HA SER 47 HA SER 47 -11.301 17.576 -9.277 369 HB2 SER 47 HB2 SER 47 -12.087 15.202 -9.419 370 HB3 SER 47 HB3 SER 47 -13.743 15.795 -9.325 371 HG SER 47 HG SER 47 -11.837 16.662 -11.242 372 H GLU 48 H GLU 48 -14.316 17.801 -7.467 373 HA GLU 48 HA GLU 48 -15.784 19.415 -9.228 374 HB2 GLU 48 HB2 GLU 48 -15.800 19.328 -6.202 375 HB3 GLU 48 HB3 GLU 48 -17.018 20.141 -7.186 376 HG2 GLU 48 HG2 GLU 48 -17.529 17.997 -8.316 377 HG3 GLU 48 HG3 GLU 48 -16.334 17.188 -7.308 378 H CYS 49 H CYS 49 -13.394 20.282 -6.761 379 HA CYS 49 HA CYS 49 -13.731 23.108 -7.026 380 HB2 CYS 49 HB2 CYS 49 -11.616 21.348 -5.810 381 HB3 CYS 49 HB3 CYS 49 -11.381 23.090 -5.929 382 H CYS 50 H CYS 50 -11.821 20.699 -8.685 383 HA CYS 50 HA CYS 50 -9.774 22.131 -9.820 384 HB2 CYS 50 HB2 CYS 50 -10.174 19.676 -10.046 385 HB3 CYS 50 HB3 CYS 50 -11.380 20.039 -11.283 386 H GLU 51 H GLU 51 -13.084 21.875 -11.154 387 HA GLU 51 HA GLU 51 -12.599 23.207 -13.558 388 HB2 GLU 51 HB2 GLU 51 -15.101 23.040 -11.877 389 HB3 GLU 51 HB3 GLU 51 -15.061 23.781 -13.476 390 HG2 GLU 51 HG2 GLU 51 -15.691 21.556 -13.929 391 HG3 GLU 51 HG3 GLU 51 -13.961 21.571 -14.260 392 H GLN 52 H GLN 52 -13.248 24.557 -10.359 393 HA GLN 52 HA GLN 52 -13.798 27.198 -11.111 394 HB2 GLN 52 HB2 GLN 52 -12.813 25.857 -8.647 395 HB3 GLN 52 HB3 GLN 52 -12.605 27.607 -8.753 396 HG2 GLN 52 HG2 GLN 52 -14.756 27.241 -7.758 397 HG3 GLN 52 HG3 GLN 52 -15.034 27.744 -9.418 398 HE21 GLN 52 HE21 GLN 52 -16.453 26.426 -10.575 399 HE22 GLN 52 HE22 GLN 52 -16.796 24.807 -10.197 400 H LEU 53 H LEU 53 -10.680 25.987 -9.882 401 HA LEU 53 HA LEU 53 -9.159 28.271 -10.472 402 HB2 LEU 53 HB2 LEU 53 -7.947 25.543 -10.718 403 HB3 LEU 53 HB3 LEU 53 -7.286 26.978 -9.971 404 HG LEU 53 HG LEU 53 -7.816 25.833 -8.054 405 HD11 LEU 53 HD11 LEU 53 -9.703 27.783 -8.604 406 HD12 LEU 53 HD12 LEU 53 -9.522 26.956 -7.063 407 HD13 LEU 53 HD13 LEU 53 -10.706 26.382 -8.230 408 HD21 LEU 53 HD21 LEU 53 -9.740 24.177 -8.007 409 HD22 LEU 53 HD22 LEU 53 -8.449 23.795 -9.144 410 HD23 LEU 53 HD23 LEU 53 -9.954 24.498 -9.726 411 H GLU 54 H GLU 54 -9.521 25.257 -12.194 412 HA GLU 54 HA GLU 54 -7.975 25.717 -14.423 413 HB2 GLU 54 HB2 GLU 54 -8.900 23.583 -13.762 414 HB3 GLU 54 HB3 GLU 54 -10.532 24.141 -14.115 415 HG2 GLU 54 HG2 GLU 54 -9.841 24.502 -16.501 416 HG3 GLU 54 HG3 GLU 54 -8.261 23.828 -16.112 417 H GLY 55 H GLY 55 -11.200 26.877 -13.679 418 HA2 GLY 55 HA2 GLY 55 -11.583 27.940 -16.383 419 HA3 GLY 55 HA3 GLY 55 -12.755 27.983 -15.067 420 H MET 56 H MET 56 -10.257 28.912 -13.407 421 HA MET 56 HA MET 56 -10.817 31.751 -13.716 422 HB2 MET 56 HB2 MET 56 -10.758 30.950 -11.466 423 HB3 MET 56 HB3 MET 56 -9.200 30.165 -11.717 424 HG2 MET 56 HG2 MET 56 -8.098 32.311 -11.983 425 HG3 MET 56 HG3 MET 56 -9.642 33.158 -11.921 426 HE1 MET 56 HE1 MET 56 -11.133 31.961 -8.800 427 HE2 MET 56 HE2 MET 56 -11.264 32.747 -10.369 428 HE3 MET 56 HE3 MET 56 -10.807 33.692 -8.955 429 H ASP 57 H ASP 57 -9.247 33.360 -14.063 430 HA ASP 57 HA ASP 57 -7.412 32.931 -16.111 431 HB2 ASP 57 HB2 ASP 57 -7.429 35.084 -13.984 432 HB3 ASP 57 HB3 ASP 57 -6.444 35.132 -15.442 433 H GLU 58 H GLU 58 -5.210 32.594 -16.211 434 HA GLU 58 HA GLU 58 -4.017 30.897 -14.360 435 HB2 GLU 58 HB2 GLU 58 -3.183 31.021 -16.609 436 HB3 GLU 58 HB3 GLU 58 -2.757 32.722 -16.411 437 HG2 GLU 58 HG2 GLU 58 -1.161 32.110 -14.627 438 HG3 GLU 58 HG3 GLU 58 -1.564 30.409 -14.860 439 H SER 59 H SER 59 -3.265 34.360 -14.855 440 HA SER 59 HA SER 59 -1.435 34.638 -12.769 441 HB2 SER 59 HB2 SER 59 -3.404 36.697 -13.796 442 HB3 SER 59 HB3 SER 59 -1.955 37.039 -12.856 443 HG SER 59 HG SER 59 -1.963 35.642 -15.327 444 H CYS 60 H CYS 60 -4.917 34.656 -12.768 445 HA CYS 60 HA CYS 60 -5.225 35.576 -10.063 446 HB2 CYS 60 HB2 CYS 60 -7.173 34.150 -11.884 447 HB3 CYS 60 HB3 CYS 60 -7.583 34.948 -10.365 448 H ARG 61 H ARG 61 -4.683 32.523 -11.591 449 HA ARG 61 HA ARG 61 -5.725 30.777 -9.655 450 HB2 ARG 61 HB2 ARG 61 -4.911 30.181 -11.970 451 HB3 ARG 61 HB3 ARG 61 -3.266 30.295 -11.346 452 HG2 ARG 61 HG2 ARG 61 -3.872 28.596 -9.598 453 HG3 ARG 61 HG3 ARG 61 -5.437 28.408 -10.391 454 HD2 ARG 61 HD2 ARG 61 -2.714 27.868 -11.605 455 HD3 ARG 61 HD3 ARG 61 -3.944 26.673 -11.206 456 HE ARG 61 HE ARG 61 -3.940 28.469 -13.504 457 HH11 ARG 61 HH21 ARG 61 -5.698 26.273 -11.475 458 HH12 ARG 61 HH22 ARG 61 -6.933 25.970 -12.650 459 HH21 ARG 61 HH11 ARG 61 -5.558 28.077 -15.033 460 HH22 ARG 61 HH12 ARG 61 -6.855 26.993 -14.662 461 H CYS 62 H CYS 62 -2.559 32.376 -9.896 462 HA CYS 62 HA CYS 62 -1.220 31.011 -7.853 463 HB2 CYS 62 HB2 CYS 62 -0.778 33.949 -8.071 464 HB3 CYS 62 HB3 CYS 62 0.394 32.635 -8.031 465 H GLU 63 H GLU 63 -2.908 34.142 -7.611 466 HA GLU 63 HA GLU 63 -2.814 34.406 -4.824 467 HB2 GLU 63 HB2 GLU 63 -3.410 36.217 -6.411 468 HB3 GLU 63 HB3 GLU 63 -4.954 35.423 -6.705 469 HG2 GLU 63 HG2 GLU 63 -5.466 35.607 -4.266 470 HG3 GLU 63 HG3 GLU 63 -3.961 36.495 -4.046 471 H GLY 64 H GLY 64 -5.120 32.751 -6.907 472 HA2 GLY 64 HA2 GLY 64 -7.233 32.331 -5.174 473 HA3 GLY 64 HA3 GLY 64 -6.768 31.217 -6.452 474 H LEU 65 H LEU 65 -4.261 30.382 -5.489 475 HA LEU 65 HA LEU 65 -4.969 28.288 -3.788 476 HB2 LEU 65 HB2 LEU 65 -2.242 29.528 -4.227 477 HB3 LEU 65 HB3 LEU 65 -2.533 27.960 -3.466 478 HG LEU 65 HG LEU 65 -3.283 28.746 -6.301 479 HD11 LEU 65 HD11 LEU 65 -1.290 26.724 -5.229 480 HD12 LEU 65 HD12 LEU 65 -0.876 28.280 -5.949 481 HD13 LEU 65 HD13 LEU 65 -1.637 27.029 -6.931 482 HD21 LEU 65 HD21 LEU 65 -4.981 27.251 -5.694 483 HD22 LEU 65 HD22 LEU 65 -3.939 26.366 -4.578 484 HD23 LEU 65 HD23 LEU 65 -3.748 26.154 -6.319 485 H ARG 66 H ARG 66 -3.170 31.259 -2.927 486 HA ARG 66 HA ARG 66 -2.994 30.737 -0.172 487 HB2 ARG 66 HB2 ARG 66 -2.996 33.308 -1.755 488 HB3 ARG 66 HB3 ARG 66 -2.799 33.284 -0.003 489 HG2 ARG 66 HG2 ARG 66 -0.579 33.194 -0.704 490 HG3 ARG 66 HG3 ARG 66 -0.949 31.481 -0.524 491 HD2 ARG 66 HD2 ARG 66 -1.421 31.308 -2.925 492 HD3 ARG 66 HD3 ARG 66 -1.122 33.031 -3.126 493 HE ARG 66 HE ARG 66 1.188 32.091 -1.997 494 HH11 ARG 66 HH21 ARG 66 -0.734 31.235 -4.753 495 HH12 ARG 66 HH22 ARG 66 0.612 30.662 -5.680 496 HH21 ARG 66 HH11 ARG 66 2.947 31.342 -3.212 497 HH22 ARG 66 HH12 ARG 66 2.693 30.722 -4.810 498 H MET 67 H MET 67 -5.359 32.698 -1.962 499 HA MET 67 HA MET 67 -6.979 33.408 0.217 500 HB2 MET 67 HB2 MET 67 -7.386 34.658 -1.694 501 HB3 MET 67 HB3 MET 67 -7.383 33.244 -2.747 502 HG2 MET 67 HG2 MET 67 -9.538 32.547 -1.979 503 HG3 MET 67 HG3 MET 67 -9.515 33.708 -0.649 504 HE1 MET 67 HE1 MET 67 -8.530 36.602 -2.218 505 HE2 MET 67 HE2 MET 67 -9.352 35.994 -0.783 506 HE3 MET 67 HE3 MET 67 -10.226 37.011 -1.924 507 H MET 68 H MET 68 -7.110 30.619 -1.949 508 HA MET 68 HA MET 68 -9.554 29.546 -1.202 509 HB2 MET 68 HB2 MET 68 -8.450 28.631 -3.077 510 HB3 MET 68 HB3 MET 68 -6.997 28.276 -2.150 511 HG2 MET 68 HG2 MET 68 -7.840 26.176 -1.985 512 HG3 MET 68 HG3 MET 68 -8.930 26.854 -0.774 513 HE1 MET 68 HE1 MET 68 -12.176 27.516 -2.439 514 HE2 MET 68 HE2 MET 68 -10.911 28.737 -2.428 515 HE3 MET 68 HE3 MET 68 -11.102 27.666 -1.043 516 H MET 69 H MET 69 -6.404 28.359 0.014 517 HA MET 69 HA MET 69 -7.288 26.673 1.974 518 HB2 MET 69 HB2 MET 69 -4.900 27.073 1.342 519 HB3 MET 69 HB3 MET 69 -4.939 28.552 2.300 520 HG2 MET 69 HG2 MET 69 -5.586 27.201 4.297 521 HG3 MET 69 HG3 MET 69 -5.427 25.739 3.324 522 HE1 MET 69 HE1 MET 69 -3.117 29.109 3.548 523 HE2 MET 69 HE2 MET 69 -2.235 28.532 4.959 524 HE3 MET 69 HE3 MET 69 -3.991 28.661 5.020 525 H ARG 70 H ARG 70 -6.855 30.186 2.274 526 HA ARG 70 HA ARG 70 -7.472 30.431 4.998 527 HB2 ARG 70 HB2 ARG 70 -6.512 32.234 3.575 528 HB3 ARG 70 HB3 ARG 70 -8.082 32.416 2.796 529 HG2 ARG 70 HG2 ARG 70 -9.109 32.952 4.977 530 HG3 ARG 70 HG3 ARG 70 -7.540 32.766 5.762 531 HD2 ARG 70 HD2 ARG 70 -7.879 35.121 5.372 532 HD3 ARG 70 HD3 ARG 70 -6.650 34.564 4.240 533 HE ARG 70 HE ARG 70 -9.316 34.460 3.144 534 HH11 ARG 70 HH21 ARG 70 -6.562 36.462 3.792 535 HH12 ARG 70 HH22 ARG 70 -6.909 37.583 2.520 536 HH21 ARG 70 HH11 ARG 70 -9.770 35.927 1.477 537 HH22 ARG 70 HH12 ARG 70 -8.723 37.281 1.211 538 H MET 71 H MET 71 -9.612 30.557 2.147 539 HA MET 71 HA MET 71 -11.987 31.080 3.607 540 HB2 MET 71 HB2 MET 71 -11.522 29.959 0.841 541 HB3 MET 71 HB3 MET 71 -13.123 30.310 1.490 542 HG2 MET 71 HG2 MET 71 -12.320 32.666 1.949 543 HG3 MET 71 HG3 MET 71 -10.858 32.273 1.048 544 HE1 MET 71 HE1 MET 71 -12.330 30.276 -1.420 545 HE2 MET 71 HE2 MET 71 -10.843 31.149 -1.069 546 HE3 MET 71 HE3 MET 71 -11.827 31.622 -2.450 547 H MET 72 H MET 72 -10.358 28.125 2.613 548 HA MET 72 HA MET 72 -12.418 26.306 3.007 549 HB2 MET 72 HB2 MET 72 -9.476 25.902 3.593 550 HB3 MET 72 HB3 MET 72 -10.667 24.622 3.360 551 HG2 MET 72 HG2 MET 72 -11.141 25.698 1.077 552 HG3 MET 72 HG3 MET 72 -9.677 26.626 1.338 553 HE1 MET 72 HE1 MET 72 -10.111 22.442 2.201 554 HE2 MET 72 HE2 MET 72 -10.439 22.349 0.473 555 HE3 MET 72 HE3 MET 72 -11.371 23.453 1.482 556 H GLN 73 H GLN 73 -9.833 27.039 5.351 557 HA GLN 73 HA GLN 73 -10.994 25.688 7.519 558 HB2 GLN 73 HB2 GLN 73 -9.153 28.086 7.609 559 HB3 GLN 73 HB3 GLN 73 -9.424 26.931 8.912 560 HG2 GLN 73 HG2 GLN 73 -8.107 26.434 6.233 561 HG3 GLN 73 HG3 GLN 73 -7.391 26.266 7.835 562 HE21 GLN 73 HE21 GLN 73 -8.877 24.531 5.336 563 HE22 GLN 73 HE22 GLN 73 -9.284 23.140 6.214 564 H GLN 74 H GLN 74 -11.270 29.051 6.469 565 HA GLN 74 HA GLN 74 -12.692 30.041 8.671 566 HB2 GLN 74 HB2 GLN 74 -11.828 31.677 7.270 567 HB3 GLN 74 HB3 GLN 74 -12.433 30.891 5.813 568 HG2 GLN 74 HG2 GLN 74 -14.545 31.617 7.727 569 HG3 GLN 74 HG3 GLN 74 -13.661 33.007 7.090 570 HE21 GLN 74 HE21 GLN 74 -13.876 30.122 5.113 571 HE22 GLN 74 HE22 GLN 74 -15.005 30.734 4.011 572 H LYS 75 H LYS 75 -13.863 28.500 5.703 573 HA LYS 75 HA LYS 75 -16.585 29.015 6.005 574 HB2 LYS 75 HB2 LYS 75 -15.512 28.000 3.995 575 HB3 LYS 75 HB3 LYS 75 -15.338 26.492 4.891 576 HG2 LYS 75 HG2 LYS 75 -17.347 26.231 3.649 577 HG3 LYS 75 HG3 LYS 75 -17.876 26.620 5.285 578 HD2 LYS 75 HD2 LYS 75 -18.212 28.958 4.666 579 HD3 LYS 75 HD3 LYS 75 -17.567 28.651 3.053 580 HE2 LYS 75 HE2 LYS 75 -19.415 27.016 2.667 581 HE3 LYS 75 HE3 LYS 75 -20.087 27.453 4.239 582 HZ1 LYS 75 HZ1 LYS 75 -21.150 28.701 2.482 583 HZ2 LYS 75 HZ2 LYS 75 -19.648 29.298 1.953 584 HZ3 LYS 75 HZ3 LYS 75 -20.257 29.747 3.474 585 H GLU 76 H GLU 76 -14.646 26.343 7.283 586 HA GLU 76 HA GLU 76 -16.316 26.041 9.584 587 HB2 GLU 76 HB2 GLU 76 -17.719 24.941 7.790 588 HB3 GLU 76 HB3 GLU 76 -16.431 23.752 7.606 589 HG2 GLU 76 HG2 GLU 76 -18.062 22.830 9.131 590 HG3 GLU 76 HG3 GLU 76 -16.633 23.255 10.068 591 H MET 77 H MET 77 -13.983 26.428 10.194 592 HA MET 77 HA MET 77 -11.902 24.664 9.705 593 HB2 MET 77 HB2 MET 77 -11.745 26.846 10.935 594 HB3 MET 77 HB3 MET 77 -12.414 26.038 12.352 595 HG2 MET 77 HG2 MET 77 -10.531 24.374 12.206 596 HG3 MET 77 HG3 MET 77 -9.827 25.358 10.924 597 HE1 MET 77 HE1 MET 77 -10.515 28.412 11.941 598 HE2 MET 77 HE2 MET 77 -9.201 27.660 11.041 599 HE3 MET 77 HE3 MET 77 -8.841 28.618 12.474 600 H GLN 78 H GLN 78 -12.592 22.526 9.645 601 HA GLN 78 HA GLN 78 -14.020 21.162 11.644 602 HB2 GLN 78 HB2 GLN 78 -12.091 20.297 9.503 603 HB3 GLN 78 HB3 GLN 78 -12.738 19.128 10.654 604 HG2 GLN 78 HG2 GLN 78 -14.935 19.401 9.904 605 HG3 GLN 78 HG3 GLN 78 -14.612 20.997 9.229 606 HE21 GLN 78 HE21 GLN 78 -15.842 19.583 7.391 607 HE22 GLN 78 HE22 GLN 78 -14.796 18.863 6.266 608 HA PRO 79 HA PRO 79 -10.740 20.657 14.615 609 HB2 PRO 79 HB2 PRO 79 -11.915 18.983 16.329 610 HB3 PRO 79 HB3 PRO 79 -12.621 20.584 16.017 611 HG2 PRO 79 HG2 PRO 79 -13.480 17.918 15.050 612 HG3 PRO 79 HG3 PRO 79 -14.451 19.340 15.461 613 HD2 PRO 79 HD2 PRO 79 -13.623 18.536 12.850 614 HD3 PRO 79 HD3 PRO 79 -14.422 20.062 13.293 615 H ARG 80 H ARG 80 -8.974 19.640 13.903 616 HA ARG 80 HA ARG 80 -8.479 16.900 14.423 617 HB2 ARG 80 HB2 ARG 80 -8.823 17.689 11.517 618 HB3 ARG 80 HB3 ARG 80 -7.863 16.301 12.015 619 HG2 ARG 80 HG2 ARG 80 -9.986 15.546 13.296 620 HG3 ARG 80 HG3 ARG 80 -10.832 16.730 12.298 621 HD2 ARG 80 HD2 ARG 80 -9.945 15.641 10.264 622 HD3 ARG 80 HD3 ARG 80 -9.157 14.432 11.271 623 HE ARG 80 HE ARG 80 -12.088 14.789 11.397 624 HH11 ARG 80 HH21 ARG 80 -9.274 12.856 10.758 625 HH12 ARG 80 HH22 ARG 80 -10.155 11.370 10.677 626 HH21 ARG 80 HH11 ARG 80 -13.230 12.839 11.288 627 HH22 ARG 80 HH12 ARG 80 -12.387 11.359 10.975 628 H GLY 81 H GLY 81 -6.324 16.838 14.918 629 HA2 GLY 81 HA2 GLY 81 -4.692 19.132 14.132 630 HA3 GLY 81 HA3 GLY 81 -4.274 17.919 15.332 631 H GLU 82 H GLU 82 -3.776 15.720 14.471 632 HA GLU 82 HA GLU 82 -1.678 15.848 12.617 633 HB2 GLU 82 HB2 GLU 82 -1.850 14.157 14.397 634 HB3 GLU 82 HB3 GLU 82 -3.199 13.409 13.546 635 HG2 GLU 82 HG2 GLU 82 -1.163 12.197 12.997 636 HG3 GLU 82 HG3 GLU 82 -1.707 13.065 11.566 637 H GLN 83 H GLN 83 -5.015 14.675 12.153 638 HA GLN 83 HA GLN 83 -4.653 13.549 9.622 639 HB2 GLN 83 HB2 GLN 83 -7.115 14.873 10.773 640 HB3 GLN 83 HB3 GLN 83 -7.095 13.839 9.345 641 HG2 GLN 83 HG2 GLN 83 -7.595 12.249 10.942 642 HG3 GLN 83 HG3 GLN 83 -5.837 12.177 11.009 643 HE21 GLN 83 HE21 GLN 83 -4.929 12.497 13.051 644 HE22 GLN 83 HE22 GLN 83 -5.731 13.211 14.365 645 H MET 84 H MET 84 -6.207 16.719 10.213 646 HA MET 84 HA MET 84 -6.071 17.506 7.515 647 HB2 MET 84 HB2 MET 84 -6.489 19.046 10.057 648 HB3 MET 84 HB3 MET 84 -6.445 19.845 8.482 649 HG2 MET 84 HG2 MET 84 -8.205 18.153 7.716 650 HG3 MET 84 HG3 MET 84 -8.376 17.693 9.407 651 HE1 MET 84 HE1 MET 84 -7.990 19.652 11.049 652 HE2 MET 84 HE2 MET 84 -9.725 19.674 11.332 653 HE3 MET 84 HE3 MET 84 -8.874 21.181 11.003 654 H ARG 85 H ARG 85 -3.740 17.902 10.146 655 HA ARG 85 HA ARG 85 -2.140 19.916 9.082 656 HB2 ARG 85 HB2 ARG 85 -1.766 18.871 11.304 657 HB3 ARG 85 HB3 ARG 85 -1.154 17.424 10.500 658 HG2 ARG 85 HG2 ARG 85 0.624 18.776 9.434 659 HG3 ARG 85 HG3 ARG 85 0.013 20.215 10.249 660 HD2 ARG 85 HD2 ARG 85 1.827 19.425 11.585 661 HD3 ARG 85 HD3 ARG 85 0.357 18.972 12.444 662 HE ARG 85 HE ARG 85 0.890 16.776 10.919 663 HH11 ARG 85 HH21 ARG 85 2.732 18.715 13.126 664 HH12 ARG 85 HH22 ARG 85 3.758 17.412 13.624 665 HH21 ARG 85 HH11 ARG 85 2.236 15.071 11.572 666 HH22 ARG 85 HH12 ARG 85 3.477 15.353 12.747 667 H ARG 86 H ARG 86 -1.869 16.399 8.524 668 HA ARG 86 HA ARG 86 0.192 16.545 6.599 669 HB2 ARG 86 HB2 ARG 86 -1.990 14.479 6.985 670 HB3 ARG 86 HB3 ARG 86 -0.590 14.272 5.932 671 HG2 ARG 86 HG2 ARG 86 0.903 14.628 7.895 672 HG3 ARG 86 HG3 ARG 86 -0.521 14.732 8.930 673 HD2 ARG 86 HD2 ARG 86 0.293 12.472 9.068 674 HD3 ARG 86 HD3 ARG 86 -1.180 12.437 8.103 675 HE ARG 86 HE ARG 86 0.927 12.747 6.311 676 HH11 ARG 86 HH21 ARG 86 -0.141 10.467 8.692 677 HH12 ARG 86 HH22 ARG 86 0.542 9.097 7.882 678 HH21 ARG 86 HH11 ARG 86 1.824 10.954 5.252 679 HH22 ARG 86 HH12 ARG 86 1.653 9.373 5.937 680 H MET 87 H MET 87 -3.317 16.665 6.379 681 HA MET 87 HA MET 87 -3.660 16.529 3.614 682 HB2 MET 87 HB2 MET 87 -5.484 16.480 5.333 683 HB3 MET 87 HB3 MET 87 -5.293 18.222 5.511 684 HG2 MET 87 HG2 MET 87 -5.473 17.634 2.715 685 HG3 MET 87 HG3 MET 87 -6.800 16.817 3.532 686 HE1 MET 87 HE1 MET 87 -8.820 18.821 5.215 687 HE2 MET 87 HE2 MET 87 -7.527 19.674 6.049 688 HE3 MET 87 HE3 MET 87 -7.389 17.942 5.766 689 H MET 88 H MET 88 -2.386 19.128 5.567 690 HA MET 88 HA MET 88 -2.935 21.391 4.111 691 HB2 MET 88 HB2 MET 88 -1.503 21.293 6.162 692 HB3 MET 88 HB3 MET 88 -0.192 20.656 5.168 693 HG2 MET 88 HG2 MET 88 -1.137 22.946 3.810 694 HG3 MET 88 HG3 MET 88 -1.043 23.402 5.510 695 HE1 MET 88 HE1 MET 88 0.720 22.356 6.945 696 HE2 MET 88 HE2 MET 88 2.433 22.610 6.619 697 HE3 MET 88 HE3 MET 88 1.674 21.084 6.169 698 H ARG 89 H ARG 89 -0.245 19.125 3.503 699 HA ARG 89 HA ARG 89 0.644 20.284 1.085 700 HB2 ARG 89 HB2 ARG 89 0.782 17.407 2.033 701 HB3 ARG 89 HB3 ARG 89 1.712 18.080 0.694 702 HG2 ARG 89 HG2 ARG 89 2.733 19.726 2.250 703 HG3 ARG 89 HG3 ARG 89 1.842 18.993 3.584 704 HD2 ARG 89 HD2 ARG 89 3.896 17.606 1.837 705 HD3 ARG 89 HD3 ARG 89 4.124 18.101 3.512 706 HE ARG 89 HE ARG 89 2.770 15.739 2.602 707 HH11 ARG 89 HH21 ARG 89 2.848 18.183 5.062 708 HH12 ARG 89 HH22 ARG 89 2.114 17.180 6.269 709 HH21 ARG 89 HH11 ARG 89 1.808 14.429 4.184 710 HH22 ARG 89 HH12 ARG 89 1.526 15.060 5.773 711 H LEU 90 H LEU 90 -1.727 17.784 1.819 712 HA LEU 90 HA LEU 90 -2.382 16.947 -0.775 713 HB2 LEU 90 HB2 LEU 90 -3.074 15.696 1.168 714 HB3 LEU 90 HB3 LEU 90 -4.001 17.061 1.772 715 HG LEU 90 HG LEU 90 -5.334 16.892 -0.441 716 HD11 LEU 90 HD11 LEU 90 -5.363 14.547 -1.324 717 HD12 LEU 90 HD12 LEU 90 -3.939 14.209 -0.340 718 HD13 LEU 90 HD13 LEU 90 -3.854 15.402 -1.637 719 HD21 LEU 90 HD21 LEU 90 -5.435 15.203 1.998 720 HD22 LEU 90 HD22 LEU 90 -6.419 14.647 0.644 721 HD23 LEU 90 HD23 LEU 90 -6.665 16.261 1.308 722 H ALA 91 H ALA 91 -3.653 19.605 1.203 723 HA ALA 91 HA ALA 91 -5.821 20.357 -0.375 724 HB1 ALA 91 HB1 ALA 91 -3.997 22.287 1.067 725 HB2 ALA 91 HB2 ALA 91 -5.182 21.275 1.894 726 HB3 ALA 91 HB3 ALA 91 -5.715 22.479 0.722 727 H GLU 92 H GLU 92 -2.512 21.702 -0.467 728 HA GLU 92 HA GLU 92 -2.874 23.304 -2.756 729 HB2 GLU 92 HB2 GLU 92 -0.938 23.330 -1.070 730 HB3 GLU 92 HB3 GLU 92 -0.259 21.997 -2.002 731 HG2 GLU 92 HG2 GLU 92 -1.149 24.514 -3.399 732 HG3 GLU 92 HG3 GLU 92 0.423 24.457 -2.607 733 H ASN 93 H ASN 93 -2.272 19.890 -2.388 734 HA ASN 93 HA ASN 93 -1.310 19.379 -5.015 735 HB2 ASN 93 HB2 ASN 93 -1.131 17.846 -2.996 736 HB3 ASN 93 HB3 ASN 93 -2.822 17.429 -3.274 737 HD21 ASN 93 HD21 ASN 93 -3.122 15.657 -4.623 738 HD22 ASN 93 HD22 ASN 93 -2.009 15.120 -5.787 739 H ILE 94 H ILE 94 -4.538 19.614 -3.624 740 HA ILE 94 HA ILE 94 -6.048 18.379 -5.597 741 HB ILE 94 HB ILE 94 -6.621 20.720 -3.790 742 HG12 ILE 94 HG12 ILE 94 -7.838 17.953 -3.928 743 HG13 ILE 94 HG13 ILE 94 -6.407 18.322 -2.962 744 HG21 ILE 94 HG21 ILE 94 -7.999 21.151 -5.725 745 HG22 ILE 94 HG22 ILE 94 -9.031 20.410 -4.504 746 HG23 ILE 94 HG23 ILE 94 -8.435 19.449 -5.855 747 HD11 ILE 94 HD11 ILE 94 -7.651 19.976 -1.674 748 HD12 ILE 94 HD12 ILE 94 -8.521 18.443 -1.641 749 HD13 ILE 94 HD13 ILE 94 -9.071 19.745 -2.693 750 HA PRO 95 HA PRO 95 -6.275 22.504 -8.098 751 HB2 PRO 95 HB2 PRO 95 -4.412 24.433 -7.454 752 HB3 PRO 95 HB3 PRO 95 -6.065 24.389 -6.811 753 HG2 PRO 95 HG2 PRO 95 -3.520 23.518 -5.556 754 HG3 PRO 95 HG3 PRO 95 -4.922 24.323 -4.832 755 HD2 PRO 95 HD2 PRO 95 -4.459 21.657 -4.540 756 HD3 PRO 95 HD3 PRO 95 -6.092 22.352 -4.561 757 H SER 96 H SER 96 -3.270 21.116 -7.037 758 HA SER 96 HA SER 96 -1.547 21.899 -9.132 759 HB2 SER 96 HB2 SER 96 -1.513 19.283 -7.605 760 HB3 SER 96 HB3 SER 96 -0.174 19.991 -8.502 761 HG SER 96 HG SER 96 -1.491 21.116 -6.248 762 H ARG 97 H ARG 97 -3.923 19.473 -8.702 763 HA ARG 97 HA ARG 97 -3.522 17.790 -10.860 764 HB2 ARG 97 HB2 ARG 97 -6.047 18.727 -9.499 765 HB3 ARG 97 HB3 ARG 97 -5.968 17.396 -10.615 766 HG2 ARG 97 HG2 ARG 97 -4.238 16.317 -9.150 767 HG3 ARG 97 HG3 ARG 97 -4.524 17.602 -7.979 768 HD2 ARG 97 HD2 ARG 97 -6.567 15.604 -8.984 769 HD3 ARG 97 HD3 ARG 97 -5.850 15.644 -7.380 770 HE ARG 97 HE ARG 97 -7.149 17.573 -6.881 771 HH11 ARG 97 HH21 ARG 97 -7.655 16.344 -10.089 772 HH12 ARG 97 HH22 ARG 97 -9.133 17.212 -10.327 773 HH21 ARG 97 HH11 ARG 97 -9.083 18.703 -7.206 774 HH22 ARG 97 HH12 ARG 97 -9.938 18.544 -8.701 775 H CYS 98 H CYS 98 -5.039 20.977 -10.707 776 HA CYS 98 HA CYS 98 -5.688 20.833 -13.574 777 HB2 CYS 98 HB2 CYS 98 -6.400 23.239 -12.001 778 HB3 CYS 98 HB3 CYS 98 -7.319 22.380 -13.231 779 H ASN 99 H ASN 99 -3.345 21.942 -11.401 780 HA ASN 99 HA ASN 99 -2.691 24.408 -12.476 781 HB2 ASN 99 HB2 ASN 99 -0.929 22.360 -11.178 782 HB3 ASN 99 HB3 ASN 99 -0.321 23.889 -11.838 783 HD21 ASN 99 HD21 ASN 99 -3.334 24.756 -11.026 784 HD22 ASN 99 HD22 ASN 99 -3.097 25.257 -9.427 785 H LEU 100 H LEU 100 -1.199 25.079 -13.822 786 HA LEU 100 HA LEU 100 -0.354 23.288 -15.985 787 HB2 LEU 100 HB2 LEU 100 -1.469 25.525 -17.235 788 HB3 LEU 100 HB3 LEU 100 -2.197 23.921 -17.133 789 HG LEU 100 HG LEU 100 -2.986 24.773 -14.714 790 HD11 LEU 100 HD11 LEU 100 -2.115 26.861 -14.419 791 HD12 LEU 100 HD12 LEU 100 -3.609 27.314 -15.236 792 HD13 LEU 100 HD13 LEU 100 -2.101 27.228 -16.143 793 HD21 LEU 100 HD21 LEU 100 -4.430 24.141 -16.637 794 HD22 LEU 100 HD22 LEU 100 -4.332 25.809 -17.202 795 HD23 LEU 100 HD23 LEU 100 -5.076 25.446 -15.644 796 H SER 101 H SER 101 1.524 23.910 -16.901 797 HA SER 101 HA SER 101 3.411 25.479 -15.801 798 HB2 SER 101 HB2 SER 101 4.350 25.764 -18.144 799 HB3 SER 101 HB3 SER 101 4.014 24.110 -17.643 800 HG SER 101 HG SER 101 2.012 25.603 -18.922 801 HA PRO 102 HA PRO 102 1.461 29.515 -16.553 802 HB2 PRO 102 HB2 PRO 102 2.393 30.393 -13.995 803 HB3 PRO 102 HB3 PRO 102 0.750 29.889 -14.422 804 HG2 PRO 102 HG2 PRO 102 2.425 28.542 -12.682 805 HG3 PRO 102 HG3 PRO 102 1.017 27.842 -13.499 806 HD2 PRO 102 HD2 PRO 102 3.917 27.629 -14.248 807 HD3 PRO 102 HD3 PRO 102 2.635 26.393 -14.311 808 H MET 103 H MET 103 2.455 31.361 -17.361 809 HA MET 103 HA MET 103 5.286 31.301 -17.754 810 HB2 MET 103 HB2 MET 103 3.657 32.313 -19.360 811 HB3 MET 103 HB3 MET 103 3.385 33.615 -18.204 812 HG2 MET 103 HG2 MET 103 5.822 34.143 -18.275 813 HG3 MET 103 HG3 MET 103 6.029 32.897 -19.507 814 HE1 MET 103 HE1 MET 103 7.091 34.546 -21.180 815 HE2 MET 103 HE2 MET 103 6.997 35.770 -19.916 816 HE3 MET 103 HE3 MET 103 6.442 36.151 -21.544 817 H ARG 104 H ARG 104 3.219 33.675 -16.053 818 HA ARG 104 HA ARG 104 5.210 33.921 -13.936 819 HB2 ARG 104 HB2 ARG 104 4.469 36.197 -15.776 820 HB3 ARG 104 HB3 ARG 104 5.127 36.463 -14.165 821 HG2 ARG 104 HG2 ARG 104 6.497 34.779 -16.282 822 HG3 ARG 104 HG3 ARG 104 6.848 36.479 -16.005 823 HD2 ARG 104 HD2 ARG 104 7.110 34.294 -13.921 824 HD3 ARG 104 HD3 ARG 104 8.445 35.008 -14.813 825 HE ARG 104 HE ARG 104 8.004 37.105 -13.675 826 HH11 ARG 104 HH21 ARG 104 6.288 34.323 -12.492 827 HH12 ARG 104 HH22 ARG 104 5.953 35.029 -10.949 828 HH21 ARG 104 HH11 ARG 104 7.556 38.014 -11.653 829 HH22 ARG 104 HH12 ARG 104 6.668 37.108 -10.473 830 H CYS 105 H CYS 105 4.358 34.587 -12.008 831 HA CYS 105 HA CYS 105 1.431 34.977 -11.937 832 HB2 CYS 105 HB2 CYS 105 3.424 33.868 -9.986 833 HB3 CYS 105 HB3 CYS 105 1.929 34.583 -9.381 834 HA PRO 106 HA PRO 106 2.951 39.202 -11.141 835 HB2 PRO 106 HB2 PRO 106 0.620 40.460 -11.829 836 HB3 PRO 106 HB3 PRO 106 1.862 39.979 -13.000 837 HG2 PRO 106 HG2 PRO 106 -0.716 38.672 -12.329 838 HG3 PRO 106 HG3 PRO 106 0.110 38.807 -13.889 839 HD2 PRO 106 HD2 PRO 106 0.126 36.520 -12.349 840 HD3 PRO 106 HD3 PRO 106 1.396 36.935 -13.520 841 H MET 107 H MET 107 1.003 37.242 -9.481 842 HA MET 107 HA MET 107 -0.421 39.119 -7.832 843 HB2 MET 107 HB2 MET 107 0.256 36.216 -7.611 844 HB3 MET 107 HB3 MET 107 -0.696 37.052 -6.387 845 HG2 MET 107 HG2 MET 107 -1.860 35.794 -8.455 846 HG3 MET 107 HG3 MET 107 -2.535 37.264 -7.761 847 HE1 MET 107 HE1 MET 107 -3.779 38.430 -9.970 848 HE2 MET 107 HE2 MET 107 -2.656 39.748 -10.294 849 HE3 MET 107 HE3 MET 107 -2.897 39.192 -8.641 850 H GLY 108 H GLY 108 1.257 40.524 -7.221 851 HA2 GLY 108 HA2 GLY 108 2.602 41.327 -5.538 852 HA3 GLY 108 HA3 GLY 108 2.560 39.754 -4.768 853 H GLY 109 H GLY 109 3.473 40.103 -8.118 854 HA2 GLY 109 HA2 GLY 109 5.423 39.583 -9.230 855 HA3 GLY 109 HA3 GLY 109 6.216 40.507 -7.959 856 H SER 110 H SER 110 4.770 37.287 -8.517 857 HA SER 110 HA SER 110 5.928 35.912 -6.407 858 HB2 SER 110 HB2 SER 110 5.385 34.888 -9.201 859 HB3 SER 110 HB3 SER 110 5.654 33.883 -7.779 860 HG SER 110 HG SER 110 3.555 35.733 -8.256 861 H ILE 111 H ILE 111 7.779 34.615 -6.202 862 HA ILE 111 HA ILE 111 10.001 35.279 -8.049 863 HB ILE 111 HB ILE 111 10.146 34.914 -5.043 864 HG12 ILE 111 HG12 ILE 111 10.597 37.394 -6.738 865 HG13 ILE 111 HG13 ILE 111 9.115 37.069 -5.835 866 HG21 ILE 111 HG21 ILE 111 12.172 34.103 -6.101 867 HG22 ILE 111 HG22 ILE 111 12.517 35.690 -5.412 868 HG23 ILE 111 HG23 ILE 111 12.247 35.522 -7.146 869 HD11 ILE 111 HD11 ILE 111 10.478 38.482 -4.448 870 HD12 ILE 111 HD12 ILE 111 11.899 37.472 -4.714 871 HD13 ILE 111 HD13 ILE 111 10.551 36.863 -3.754 872 H ALA 112 H ALA 112 8.560 32.930 -5.861 873 HA ALA 112 HA ALA 112 10.384 30.804 -6.310 874 HB1 ALA 112 HB1 ALA 112 8.703 30.955 -4.417 875 HB2 ALA 112 HB2 ALA 112 8.714 29.413 -5.276 876 HB3 ALA 112 HB3 ALA 112 7.449 30.597 -5.604 877 H GLY 113 H GLY 113 8.772 28.683 -7.156 878 HA2 GLY 113 HA2 GLY 113 8.712 29.272 -9.955 879 HA3 GLY 113 HA3 GLY 113 8.174 27.753 -9.213 880 H PHE 114 H PHE 114 7.307 30.877 -10.294 881 HA PHE 114 HA PHE 114 4.943 31.563 -9.221 882 HB2 PHE 114 HB2 PHE 114 4.295 32.053 -11.794 883 HB3 PHE 114 HB3 PHE 114 5.453 33.028 -10.890 884 HD1 PHE 114 HD1 PHE 114 5.072 30.346 -13.411 885 HD2 PHE 114 HD2 PHE 114 7.835 32.887 -11.322 886 HE1 PHE 114 HE1 PHE 114 6.865 29.711 -15.005 887 HE2 PHE 114 HE2 PHE 114 9.624 32.252 -12.916 888 HZ PHE 114 HZ PHE 114 9.138 30.665 -14.757 Start of MODEL 11 1 H1 GLU 1 H1 GLU 1 2.512 44.510 -6.832 2 H2 GLU 1 H2 GLU 1 2.354 43.661 -5.368 3 H3 GLU 1 H3 GLU 1 1.642 45.194 -5.545 4 HA GLU 1 HA GLU 1 0.877 42.729 -7.010 5 HB2 GLU 1 HB2 GLU 1 0.173 42.783 -4.633 6 HB3 GLU 1 HB3 GLU 1 -0.585 44.352 -4.902 7 HG2 GLU 1 HG2 GLU 1 -2.305 42.656 -5.056 8 HG3 GLU 1 HG3 GLU 1 -2.016 43.289 -6.674 9 H ALA 2 H ALA 2 -0.144 43.092 -8.880 10 HA ALA 2 HA ALA 2 -0.424 45.716 -9.949 11 HB1 ALA 2 HB1 ALA 2 -0.024 43.755 -11.375 12 HB2 ALA 2 HB2 ALA 2 -1.504 44.587 -11.852 13 HB3 ALA 2 HB3 ALA 2 -1.594 43.094 -10.917 14 H GLU 3 H GLU 3 -2.228 46.972 -10.268 15 HA GLU 3 HA GLU 3 -4.303 46.839 -8.358 16 HB2 GLU 3 HB2 GLU 3 -5.246 48.737 -9.466 17 HB3 GLU 3 HB3 GLU 3 -3.496 48.910 -9.568 18 HG2 GLU 3 HG2 GLU 3 -5.287 47.808 -11.758 19 HG3 GLU 3 HG3 GLU 3 -4.573 49.418 -11.734 20 H ALA 4 H ALA 4 -3.926 45.375 -11.463 21 HA ALA 4 HA ALA 4 -6.680 44.968 -12.054 22 HB1 ALA 4 HB1 ALA 4 -4.961 44.852 -13.801 23 HB2 ALA 4 HB2 ALA 4 -5.860 43.338 -13.714 24 HB3 ALA 4 HB3 ALA 4 -4.246 43.446 -13.012 25 H GLN 5 H GLN 5 -4.812 43.750 -9.633 26 HA GLN 5 HA GLN 5 -5.364 41.047 -9.424 27 HB2 GLN 5 HB2 GLN 5 -3.933 42.319 -7.871 28 HB3 GLN 5 HB3 GLN 5 -5.366 43.119 -7.227 29 HG2 GLN 5 HG2 GLN 5 -6.271 40.875 -6.580 30 HG3 GLN 5 HG3 GLN 5 -4.766 40.144 -7.133 31 HE21 GLN 5 HE21 GLN 5 -3.515 39.644 -5.332 32 HE22 GLN 5 HE22 GLN 5 -3.318 40.649 -3.977 33 H GLU 6 H GLU 6 -7.437 43.820 -8.777 34 HA GLU 6 HA GLU 6 -9.512 42.677 -7.357 35 HB2 GLU 6 HB2 GLU 6 -10.922 44.440 -8.254 36 HB3 GLU 6 HB3 GLU 6 -9.315 45.089 -7.929 37 HG2 GLU 6 HG2 GLU 6 -8.750 44.655 -10.359 38 HG3 GLU 6 HG3 GLU 6 -10.451 44.274 -10.617 39 H GLU 7 H GLU 7 -8.851 42.474 -10.826 40 HA GLU 7 HA GLU 7 -11.257 41.375 -11.716 41 HB2 GLU 7 HB2 GLU 7 -9.611 42.027 -13.337 42 HB3 GLU 7 HB3 GLU 7 -8.407 40.944 -12.640 43 HG2 GLU 7 HG2 GLU 7 -10.959 39.683 -13.509 44 HG3 GLU 7 HG3 GLU 7 -9.908 40.275 -14.791 45 H CYS 8 H CYS 8 -8.421 39.897 -10.237 46 HA CYS 8 HA CYS 8 -9.263 37.221 -10.511 47 HB2 CYS 8 HB2 CYS 8 -7.415 38.420 -8.438 48 HB3 CYS 8 HB3 CYS 8 -7.548 36.709 -8.838 49 H ARG 9 H ARG 9 -9.524 39.541 -7.829 50 HA ARG 9 HA ARG 9 -10.723 37.903 -5.929 51 HB2 ARG 9 HB2 ARG 9 -9.951 40.250 -5.547 52 HB3 ARG 9 HB3 ARG 9 -11.373 40.819 -6.422 53 HG2 ARG 9 HG2 ARG 9 -12.834 39.663 -4.791 54 HG3 ARG 9 HG3 ARG 9 -11.408 39.119 -3.908 55 HD2 ARG 9 HD2 ARG 9 -10.754 41.513 -3.588 56 HD3 ARG 9 HD3 ARG 9 -12.265 41.992 -4.355 57 HE ARG 9 HE ARG 9 -13.370 41.465 -2.384 58 HH11 ARG 9 HH21 ARG 9 -10.210 40.036 -2.431 59 HH12 ARG 9 HH22 ARG 9 -10.286 39.491 -0.789 60 HH21 ARG 9 HH11 ARG 9 -13.467 40.750 -0.234 61 HH22 ARG 9 HH12 ARG 9 -12.127 39.895 0.452 62 H GLU 10 H GLU 10 -12.213 39.732 -8.582 63 HA GLU 10 HA GLU 10 -14.905 39.197 -7.960 64 HB2 GLU 10 HB2 GLU 10 -14.312 40.875 -9.611 65 HB3 GLU 10 HB3 GLU 10 -13.560 39.654 -10.635 66 HG2 GLU 10 HG2 GLU 10 -16.413 39.235 -9.839 67 HG3 GLU 10 HG3 GLU 10 -16.072 40.468 -11.051 68 H GLN 11 H GLN 11 -12.689 37.519 -10.192 69 HA GLN 11 HA GLN 11 -14.441 35.448 -10.918 70 HB2 GLN 11 HB2 GLN 11 -11.421 35.547 -10.835 71 HB3 GLN 11 HB3 GLN 11 -12.340 34.220 -11.544 72 HG2 GLN 11 HG2 GLN 11 -13.495 35.880 -13.024 73 HG3 GLN 11 HG3 GLN 11 -12.426 37.127 -12.390 74 HE21 GLN 11 HE21 GLN 11 -10.513 34.433 -12.385 75 HE22 GLN 11 HE22 GLN 11 -9.835 34.560 -13.936 76 H MET 12 H MET 12 -12.189 35.735 -8.196 77 HA MET 12 HA MET 12 -12.191 33.108 -7.288 78 HB2 MET 12 HB2 MET 12 -12.072 35.717 -5.774 79 HB3 MET 12 HB3 MET 12 -11.893 34.150 -4.984 80 HG2 MET 12 HG2 MET 12 -9.988 33.608 -6.418 81 HG3 MET 12 HG3 MET 12 -10.186 35.120 -7.296 82 HE1 MET 12 HE1 MET 12 -6.978 34.886 -5.395 83 HE2 MET 12 HE2 MET 12 -7.367 36.385 -6.233 84 HE3 MET 12 HE3 MET 12 -7.857 34.843 -6.930 85 H GLN 13 H GLN 13 -14.573 35.681 -6.661 86 HA GLN 13 HA GLN 13 -16.192 34.222 -4.865 87 HB2 GLN 13 HB2 GLN 13 -17.001 36.367 -6.851 88 HB3 GLN 13 HB3 GLN 13 -17.981 35.804 -5.498 89 HG2 GLN 13 HG2 GLN 13 -16.163 36.488 -3.935 90 HG3 GLN 13 HG3 GLN 13 -15.263 37.137 -5.303 91 HE21 GLN 13 HE21 GLN 13 -18.430 37.703 -6.108 92 HE22 GLN 13 HE22 GLN 13 -18.616 39.253 -5.444 93 H ARG 14 H ARG 14 -16.309 34.578 -8.390 94 HA ARG 14 HA ARG 14 -18.546 32.992 -8.916 95 HB2 ARG 14 HB2 ARG 14 -17.364 34.533 -10.529 96 HB3 ARG 14 HB3 ARG 14 -16.083 33.330 -10.647 97 HG2 ARG 14 HG2 ARG 14 -17.641 31.676 -11.505 98 HG3 ARG 14 HG3 ARG 14 -19.000 32.775 -11.252 99 HD2 ARG 14 HD2 ARG 14 -18.454 32.970 -13.560 100 HD3 ARG 14 HD3 ARG 14 -17.789 34.407 -12.791 101 HE ARG 14 HE ARG 14 -15.645 33.617 -13.252 102 HH11 ARG 14 HH21 ARG 14 -18.028 31.155 -13.783 103 HH12 ARG 14 HH22 ARG 14 -16.926 30.070 -14.563 104 HH21 ARG 14 HH11 ARG 14 -14.205 32.195 -14.271 105 HH22 ARG 14 HH12 ARG 14 -14.765 30.658 -14.839 106 H GLN 15 H GLN 15 -15.097 32.309 -8.626 107 HA GLN 15 HA GLN 15 -15.422 29.504 -9.094 108 HB2 GLN 15 HB2 GLN 15 -13.165 31.329 -8.411 109 HB3 GLN 15 HB3 GLN 15 -12.986 29.625 -7.992 110 HG2 GLN 15 HG2 GLN 15 -12.123 29.752 -10.184 111 HG3 GLN 15 HG3 GLN 15 -13.762 29.149 -10.414 112 HE21 GLN 15 HE21 GLN 15 -15.398 30.699 -11.218 113 HE22 GLN 15 HE22 GLN 15 -14.911 32.115 -12.017 114 H GLN 16 H GLN 16 -17.143 29.294 -7.543 115 HA GLN 16 HA GLN 16 -16.584 29.535 -4.726 116 HB2 GLN 16 HB2 GLN 16 -18.874 28.228 -6.216 117 HB3 GLN 16 HB3 GLN 16 -18.819 28.483 -4.468 118 HG2 GLN 16 HG2 GLN 16 -18.600 30.908 -4.820 119 HG3 GLN 16 HG3 GLN 16 -18.620 30.666 -6.562 120 HE21 GLN 16 HE21 GLN 16 -20.557 32.335 -5.662 121 HE22 GLN 16 HE22 GLN 16 -22.071 31.574 -5.638 122 H MET 17 H MET 17 -14.586 28.073 -5.780 123 HA MET 17 HA MET 17 -14.950 25.270 -5.780 124 HB2 MET 17 HB2 MET 17 -12.701 25.153 -6.163 125 HB3 MET 17 HB3 MET 17 -12.912 26.866 -6.505 126 HG2 MET 17 HG2 MET 17 -12.494 27.176 -3.940 127 HG3 MET 17 HG3 MET 17 -11.785 25.565 -4.039 128 HE1 MET 17 HE1 MET 17 -10.576 29.501 -5.830 129 HE2 MET 17 HE2 MET 17 -12.174 28.892 -5.406 130 HE3 MET 17 HE3 MET 17 -11.491 28.527 -6.988 131 H LEU 18 H LEU 18 -14.409 27.584 -3.235 132 HA LEU 18 HA LEU 18 -13.494 25.890 -1.216 133 HB2 LEU 18 HB2 LEU 18 -14.794 27.660 0.263 134 HB3 LEU 18 HB3 LEU 18 -13.299 28.063 -0.565 135 HG LEU 18 HG LEU 18 -14.469 29.144 -2.357 136 HD11 LEU 18 HD11 LEU 18 -16.877 27.792 -1.154 137 HD12 LEU 18 HD12 LEU 18 -16.312 27.763 -2.824 138 HD13 LEU 18 HD13 LEU 18 -17.060 29.216 -2.175 139 HD21 LEU 18 HD21 LEU 18 -16.223 30.099 -0.161 140 HD22 LEU 18 HD22 LEU 18 -15.113 31.004 -1.191 141 HD23 LEU 18 HD23 LEU 18 -14.495 30.096 0.188 142 H SER 19 H SER 19 -16.686 26.185 -2.587 143 HA SER 19 HA SER 19 -18.137 25.098 -0.370 144 HB2 SER 19 HB2 SER 19 -19.203 26.395 -2.212 145 HB3 SER 19 HB3 SER 19 -18.856 25.067 -3.315 146 HG SER 19 HG SER 19 -20.141 23.733 -2.007 147 H HIS 20 H HIS 20 -17.193 23.701 -3.508 148 HA HIS 20 HA HIS 20 -17.819 21.017 -2.860 149 HB2 HIS 20 HB2 HIS 20 -15.557 21.575 -4.726 150 HB3 HIS 20 HB3 HIS 20 -16.939 20.502 -4.928 151 HD2 HIS 20 HD2 HIS 20 -19.369 22.716 -4.644 152 HE1 HIS 20 HE1 HIS 20 -17.363 24.812 -7.709 153 HE2 HIS 20 HE2 HIS 20 -19.554 24.592 -6.448 154 H CYS 21 H CYS 21 -15.028 23.062 -2.529 155 HA CYS 21 HA CYS 21 -13.133 21.169 -1.690 156 HB2 CYS 21 HB2 CYS 21 -13.474 24.131 -1.441 157 HB3 CYS 21 HB3 CYS 21 -12.188 23.336 -0.530 158 H ARG 22 H ARG 22 -15.505 23.138 0.079 159 HA ARG 22 HA ARG 22 -14.728 22.479 2.698 160 HB2 ARG 22 HB2 ARG 22 -16.439 24.219 2.067 161 HB3 ARG 22 HB3 ARG 22 -17.569 22.909 1.730 162 HG2 ARG 22 HG2 ARG 22 -18.004 23.637 3.978 163 HG3 ARG 22 HG3 ARG 22 -17.167 22.089 4.098 164 HD2 ARG 22 HD2 ARG 22 -15.369 24.422 4.001 165 HD3 ARG 22 HD3 ARG 22 -16.414 24.380 5.417 166 HE ARG 22 HE ARG 22 -15.253 21.824 5.015 167 HH11 ARG 22 HH21 ARG 22 -14.498 25.060 5.993 168 HH12 ARG 22 HH22 ARG 22 -13.179 24.588 7.012 169 HH21 ARG 22 HH11 ARG 22 -13.527 21.207 6.351 170 HH22 ARG 22 HH12 ARG 22 -12.631 22.411 7.213 171 H MET 23 H MET 23 -17.042 20.935 0.482 172 HA MET 23 HA MET 23 -17.799 18.794 2.151 173 HB2 MET 23 HB2 MET 23 -17.559 18.918 -0.871 174 HB3 MET 23 HB3 MET 23 -18.354 17.617 0.016 175 HG2 MET 23 HG2 MET 23 -19.893 19.294 1.032 176 HG3 MET 23 HG3 MET 23 -19.139 20.547 0.047 177 HE1 MET 23 HE1 MET 23 -22.524 20.202 -1.721 178 HE2 MET 23 HE2 MET 23 -21.304 21.292 -1.068 179 HE3 MET 23 HE3 MET 23 -22.146 20.177 0.006 180 H TYR 24 H TYR 24 -15.126 19.246 -0.096 181 HA TYR 24 HA TYR 24 -13.986 16.698 -0.047 182 HB2 TYR 24 HB2 TYR 24 -12.909 17.915 -1.615 183 HB3 TYR 24 HB3 TYR 24 -13.130 19.422 -0.748 184 HD1 TYR 24 HD2 TYR 24 -11.278 16.182 -0.264 185 HD2 TYR 24 HD1 TYR 24 -11.195 20.470 -0.021 186 HE1 TYR 24 HE2 TYR 24 -8.906 16.097 0.457 187 HE2 TYR 24 HE1 TYR 24 -8.826 20.385 0.697 188 HH TYR 24 HH TYR 24 -7.044 19.087 0.987 189 H MET 25 H MET 25 -13.530 19.456 2.142 190 HA MET 25 HA MET 25 -11.532 18.339 3.782 191 HB2 MET 25 HB2 MET 25 -13.742 20.283 4.451 192 HB3 MET 25 HB3 MET 25 -12.364 19.942 5.495 193 HG2 MET 25 HG2 MET 25 -12.131 20.969 2.652 194 HG3 MET 25 HG3 MET 25 -12.050 21.992 4.085 195 HE1 MET 25 HE1 MET 25 -10.267 20.111 6.220 196 HE2 MET 25 HE2 MET 25 -10.612 21.807 5.892 197 HE3 MET 25 HE3 MET 25 -8.946 21.237 5.879 198 H ARG 26 H ARG 26 -15.091 18.345 4.172 199 HA ARG 26 HA ARG 26 -15.157 16.860 6.570 200 HB2 ARG 26 HB2 ARG 26 -17.087 18.122 5.632 201 HB3 ARG 26 HB3 ARG 26 -17.242 16.896 4.372 202 HG2 ARG 26 HG2 ARG 26 -17.558 15.162 6.125 203 HG3 ARG 26 HG3 ARG 26 -17.469 16.417 7.360 204 HD2 ARG 26 HD2 ARG 26 -19.418 17.552 6.300 205 HD3 ARG 26 HD3 ARG 26 -19.534 16.223 5.149 206 HE ARG 26 HE ARG 26 -20.391 16.194 7.907 207 HH11 ARG 26 HH21 ARG 26 -19.257 14.307 5.228 208 HH12 ARG 26 HH22 ARG 26 -19.987 12.838 5.782 209 HH21 ARG 26 HH11 ARG 26 -21.344 14.269 8.631 210 HH22 ARG 26 HH12 ARG 26 -21.166 12.816 7.705 211 H GLN 27 H GLN 27 -15.585 15.761 3.208 212 HA GLN 27 HA GLN 27 -15.784 13.010 3.774 213 HB2 GLN 27 HB2 GLN 27 -14.670 14.373 1.311 214 HB3 GLN 27 HB3 GLN 27 -15.148 12.681 1.417 215 HG2 GLN 27 HG2 GLN 27 -17.395 13.165 1.420 216 HG3 GLN 27 HG3 GLN 27 -17.172 14.705 2.251 217 HE21 GLN 27 HE21 GLN 27 -15.138 15.762 0.481 218 HE22 GLN 27 HE22 GLN 27 -15.896 16.099 -1.016 219 H GLN 28 H GLN 28 -13.098 15.226 3.389 220 HA GLN 28 HA GLN 28 -11.059 13.294 3.161 221 HB2 GLN 28 HB2 GLN 28 -10.589 15.505 2.472 222 HB3 GLN 28 HB3 GLN 28 -11.113 16.184 4.003 223 HG2 GLN 28 HG2 GLN 28 -8.781 14.265 3.794 224 HG3 GLN 28 HG3 GLN 28 -8.581 16.003 3.614 225 HE21 GLN 28 HE21 GLN 28 -7.620 14.137 5.811 226 HE22 GLN 28 HE22 GLN 28 -8.221 14.819 7.243 227 H MET 29 H MET 29 -12.712 14.804 5.870 228 HA MET 29 HA MET 29 -11.020 13.905 7.953 229 HB2 MET 29 HB2 MET 29 -12.804 15.591 8.291 230 HB3 MET 29 HB3 MET 29 -14.022 14.356 7.986 231 HG2 MET 29 HG2 MET 29 -12.989 13.038 9.912 232 HG3 MET 29 HG3 MET 29 -12.075 14.494 10.295 233 HE1 MET 29 HE1 MET 29 -14.732 17.129 11.101 234 HE2 MET 29 HE2 MET 29 -13.825 16.833 9.622 235 HE3 MET 29 HE3 MET 29 -13.024 16.681 11.183 236 H GLU 30 H GLU 30 -14.015 12.547 6.577 237 HA GLU 30 HA GLU 30 -13.911 10.098 8.034 238 HB2 GLU 30 HB2 GLU 30 -15.251 10.761 5.396 239 HB3 GLU 30 HB3 GLU 30 -15.553 9.308 6.350 240 HG2 GLU 30 HG2 GLU 30 -16.292 10.710 8.247 241 HG3 GLU 30 HG3 GLU 30 -16.005 12.159 7.284 242 H GLU 31 H GLU 31 -12.819 11.088 4.840 243 HA GLU 31 HA GLU 31 -11.862 8.568 3.947 244 HB2 GLU 31 HB2 GLU 31 -12.445 10.568 2.516 245 HB3 GLU 31 HB3 GLU 31 -10.933 11.300 3.049 246 HG2 GLU 31 HG2 GLU 31 -9.706 9.323 2.172 247 HG3 GLU 31 HG3 GLU 31 -11.223 8.670 1.589 248 H SER 32 H SER 32 -10.746 10.496 6.402 249 HA SER 32 HA SER 32 -8.140 10.932 6.382 250 HB2 SER 32 HB2 SER 32 -8.017 10.002 8.733 251 HB3 SER 32 HB3 SER 32 -9.299 11.172 8.435 252 HG SER 32 HG SER 32 -9.927 8.527 7.919 253 H THR 33 H THR 33 -9.487 7.685 6.372 254 HA THR 33 HA THR 33 -7.069 6.279 6.813 255 HB THR 33 HB THR 33 -9.547 5.335 5.359 256 HG1 THR 33 HG1 THR 33 -9.850 6.195 7.507 257 HG21 THR 33 HG21 THR 33 -8.752 3.112 6.287 258 HG22 THR 33 HG22 THR 33 -7.232 3.910 6.691 259 HG23 THR 33 HG23 THR 33 -7.744 3.788 5.007 260 H TYR 34 H TYR 34 -8.896 6.452 3.738 261 HA TYR 34 HA TYR 34 -6.410 5.883 2.303 262 HB2 TYR 34 HB2 TYR 34 -7.757 5.191 0.442 263 HB3 TYR 34 HB3 TYR 34 -8.351 4.419 1.905 264 HD1 TYR 34 HD2 TYR 34 -10.440 5.269 3.005 265 HD2 TYR 34 HD1 TYR 34 -9.119 6.703 -0.824 266 HE1 TYR 34 HE2 TYR 34 -12.713 6.147 2.550 267 HE2 TYR 34 HE1 TYR 34 -11.394 7.576 -1.282 268 HH TYR 34 HH TYR 34 -13.517 8.296 0.701 269 H GLN 35 H GLN 35 -7.652 8.633 3.271 270 HA GLN 35 HA GLN 35 -8.302 10.422 1.427 271 HB2 GLN 35 HB2 GLN 35 -6.851 12.086 2.461 272 HB3 GLN 35 HB3 GLN 35 -7.719 11.101 3.644 273 HG2 GLN 35 HG2 GLN 35 -5.491 9.606 3.417 274 HG3 GLN 35 HG3 GLN 35 -4.806 11.180 3.007 275 HE21 GLN 35 HE21 GLN 35 -7.255 12.164 4.804 276 HE22 GLN 35 HE22 GLN 35 -6.625 12.042 6.359 277 H THR 36 H THR 36 -5.181 8.782 1.389 278 HA THR 36 HA THR 36 -3.791 10.518 -0.313 279 HB THR 36 HB THR 36 -3.624 7.491 -0.317 280 HG1 THR 36 HG1 THR 36 -2.643 9.477 1.412 281 HG21 THR 36 HG21 THR 36 -1.240 7.990 -0.925 282 HG22 THR 36 HG22 THR 36 -1.682 9.690 -1.078 283 HG23 THR 36 HG23 THR 36 -2.399 8.492 -2.156 284 H MET 37 H MET 37 -4.612 11.313 -2.112 285 HA MET 37 HA MET 37 -6.623 10.184 -3.697 286 HB2 MET 37 HB2 MET 37 -4.560 12.056 -4.826 287 HB3 MET 37 HB3 MET 37 -6.285 11.972 -5.173 288 HG2 MET 37 HG2 MET 37 -6.474 12.515 -2.567 289 HG3 MET 37 HG3 MET 37 -4.876 13.209 -2.847 290 HE1 MET 37 HE1 MET 37 -5.289 16.110 -5.130 291 HE2 MET 37 HE2 MET 37 -4.619 14.511 -5.446 292 HE3 MET 37 HE3 MET 37 -4.351 15.280 -3.882 293 HA PRO 38 HA PRO 38 -3.981 7.254 -5.869 294 HB2 PRO 38 HB2 PRO 38 -5.947 5.627 -6.733 295 HB3 PRO 38 HB3 PRO 38 -5.450 5.652 -5.028 296 HG2 PRO 38 HG2 PRO 38 -7.832 6.865 -6.324 297 HG3 PRO 38 HG3 PRO 38 -7.670 6.115 -4.729 298 HD2 PRO 38 HD2 PRO 38 -7.647 8.876 -5.231 299 HD3 PRO 38 HD3 PRO 38 -7.075 8.094 -3.742 300 H ARG 39 H ARG 39 -3.384 7.104 -8.035 301 HA ARG 39 HA ARG 39 -4.273 9.069 -9.861 302 HB2 ARG 39 HB2 ARG 39 -2.952 6.452 -10.572 303 HB3 ARG 39 HB3 ARG 39 -2.932 7.942 -11.509 304 HG2 ARG 39 HG2 ARG 39 -1.737 9.077 -9.627 305 HG3 ARG 39 HG3 ARG 39 -1.648 7.526 -8.792 306 HD2 ARG 39 HD2 ARG 39 0.439 7.831 -9.959 307 HD3 ARG 39 HD3 ARG 39 -0.472 6.595 -10.820 308 HE ARG 39 HE ARG 39 -0.613 8.033 -12.637 309 HH11 ARG 39 HH21 ARG 39 0.315 9.759 -9.775 310 HH12 ARG 39 HH22 ARG 39 0.649 11.237 -10.614 311 HH21 ARG 39 HH11 ARG 39 -0.177 9.970 -13.732 312 HH22 ARG 39 HH12 ARG 39 0.370 11.357 -12.851 313 H ARG 40 H ARG 40 -5.074 5.658 -9.426 314 HA ARG 40 HA ARG 40 -6.685 5.443 -11.757 315 HB2 ARG 40 HB2 ARG 40 -6.611 3.801 -9.217 316 HB3 ARG 40 HB3 ARG 40 -7.558 3.376 -10.645 317 HG2 ARG 40 HG2 ARG 40 -4.576 3.880 -10.732 318 HG3 ARG 40 HG3 ARG 40 -5.276 2.278 -10.510 319 HD2 ARG 40 HD2 ARG 40 -6.548 2.596 -12.644 320 HD3 ARG 40 HD3 ARG 40 -5.697 4.119 -12.879 321 HE ARG 40 HE ARG 40 -3.879 1.943 -12.460 322 HH11 ARG 40 HH21 ARG 40 -5.947 3.491 -14.771 323 HH12 ARG 40 HH22 ARG 40 -5.032 2.964 -16.144 324 HH21 ARG 40 HH11 ARG 40 -2.680 1.254 -14.256 325 HH22 ARG 40 HH12 ARG 40 -3.185 1.699 -15.853 326 H GLY 41 H GLY 41 -8.165 6.912 -11.960 327 HA2 GLY 41 HA2 GLY 41 -10.139 8.079 -11.663 328 HA3 GLY 41 HA3 GLY 41 -10.678 6.672 -10.753 329 H MET 42 H MET 42 -8.954 9.747 -10.501 330 HA MET 42 HA MET 42 -8.552 9.833 -7.731 331 HB2 MET 42 HB2 MET 42 -9.101 12.086 -9.677 332 HB3 MET 42 HB3 MET 42 -8.521 12.309 -8.027 333 HG2 MET 42 HG2 MET 42 -6.558 10.848 -8.579 334 HG3 MET 42 HG3 MET 42 -7.110 10.809 -10.253 335 HE1 MET 42 HE1 MET 42 -6.849 14.292 -11.565 336 HE2 MET 42 HE2 MET 42 -8.238 14.032 -10.514 337 HE3 MET 42 HE3 MET 42 -7.686 12.735 -11.569 338 H GLU 43 H GLU 43 -9.704 11.451 -6.260 339 HA GLU 43 HA GLU 43 -12.406 10.611 -5.929 340 HB2 GLU 43 HB2 GLU 43 -10.885 12.865 -4.595 341 HB3 GLU 43 HB3 GLU 43 -12.435 12.220 -4.055 342 HG2 GLU 43 HG2 GLU 43 -11.190 10.815 -2.781 343 HG3 GLU 43 HG3 GLU 43 -10.925 9.932 -4.282 344 HA PRO 44 HA PRO 44 -14.139 13.508 -8.887 345 HB2 PRO 44 HB2 PRO 44 -16.685 12.769 -7.555 346 HB3 PRO 44 HB3 PRO 44 -16.228 12.650 -9.264 347 HG2 PRO 44 HG2 PRO 44 -16.434 10.497 -7.687 348 HG3 PRO 44 HG3 PRO 44 -15.250 10.603 -9.001 349 HD2 PRO 44 HD2 PRO 44 -14.819 10.848 -6.052 350 HD3 PRO 44 HD3 PRO 44 -13.747 10.176 -7.302 351 H HIS 45 H HIS 45 -15.227 13.436 -5.491 352 HA HIS 45 HA HIS 45 -16.444 15.933 -5.338 353 HB2 HIS 45 HB2 HIS 45 -14.785 14.535 -3.222 354 HB3 HIS 45 HB3 HIS 45 -15.913 15.860 -2.928 355 HD2 HIS 45 HD2 HIS 45 -18.699 15.138 -3.684 356 HE1 HIS 45 HE1 HIS 45 -17.975 11.007 -3.199 357 HE2 HIS 45 HE2 HIS 45 -19.780 12.772 -3.468 358 H MET 46 H MET 46 -13.025 15.086 -4.858 359 HA MET 46 HA MET 46 -12.121 17.715 -4.292 360 HB2 MET 46 HB2 MET 46 -10.635 15.341 -5.455 361 HB3 MET 46 HB3 MET 46 -9.876 16.799 -4.816 362 HG2 MET 46 HG2 MET 46 -10.960 16.360 -2.616 363 HG3 MET 46 HG3 MET 46 -11.615 14.857 -3.263 364 HE1 MET 46 HE1 MET 46 -10.599 13.171 -1.720 365 HE2 MET 46 HE2 MET 46 -10.162 14.565 -0.737 366 HE3 MET 46 HE3 MET 46 -8.975 13.300 -1.034 367 H SER 47 H SER 47 -12.490 15.853 -7.258 368 HA SER 47 HA SER 47 -11.162 17.535 -9.056 369 HB2 SER 47 HB2 SER 47 -12.008 15.223 -9.536 370 HB3 SER 47 HB3 SER 47 -13.631 15.896 -9.646 371 HG SER 47 HG SER 47 -12.830 17.281 -11.300 372 H GLU 48 H GLU 48 -14.354 17.810 -7.621 373 HA GLU 48 HA GLU 48 -15.561 19.570 -9.427 374 HB2 GLU 48 HB2 GLU 48 -15.851 19.405 -6.418 375 HB3 GLU 48 HB3 GLU 48 -16.931 20.310 -7.480 376 HG2 GLU 48 HG2 GLU 48 -17.440 18.220 -8.718 377 HG3 GLU 48 HG3 GLU 48 -16.403 17.326 -7.612 378 H CYS 49 H CYS 49 -13.333 20.229 -6.748 379 HA CYS 49 HA CYS 49 -13.501 23.069 -6.906 380 HB2 CYS 49 HB2 CYS 49 -11.534 21.145 -5.691 381 HB3 CYS 49 HB3 CYS 49 -11.185 22.871 -5.735 382 H CYS 50 H CYS 50 -11.561 20.640 -8.534 383 HA CYS 50 HA CYS 50 -9.489 22.128 -9.594 384 HB2 CYS 50 HB2 CYS 50 -9.750 19.664 -9.795 385 HB3 CYS 50 HB3 CYS 50 -10.986 19.933 -11.027 386 H GLU 51 H GLU 51 -12.779 21.786 -10.897 387 HA GLU 51 HA GLU 51 -12.381 23.009 -13.365 388 HB2 GLU 51 HB2 GLU 51 -14.450 21.813 -12.643 389 HB3 GLU 51 HB3 GLU 51 -14.872 23.218 -11.666 390 HG2 GLU 51 HG2 GLU 51 -16.016 23.379 -13.810 391 HG3 GLU 51 HG3 GLU 51 -14.783 24.632 -13.724 392 H GLN 52 H GLN 52 -12.965 24.499 -10.212 393 HA GLN 52 HA GLN 52 -13.516 27.110 -11.039 394 HB2 GLN 52 HB2 GLN 52 -12.424 25.863 -8.566 395 HB3 GLN 52 HB3 GLN 52 -12.252 27.611 -8.747 396 HG2 GLN 52 HG2 GLN 52 -14.354 27.227 -7.649 397 HG3 GLN 52 HG3 GLN 52 -14.698 27.695 -9.306 398 HE21 GLN 52 HE21 GLN 52 -16.144 26.342 -10.385 399 HE22 GLN 52 HE22 GLN 52 -16.452 24.726 -9.967 400 H LEU 53 H LEU 53 -10.374 25.928 -9.872 401 HA LEU 53 HA LEU 53 -8.838 28.161 -10.581 402 HB2 LEU 53 HB2 LEU 53 -7.735 25.377 -10.790 403 HB3 LEU 53 HB3 LEU 53 -6.968 26.815 -10.155 404 HG LEU 53 HG LEU 53 -7.446 25.811 -8.147 405 HD11 LEU 53 HD11 LEU 53 -9.285 27.793 -8.706 406 HD12 LEU 53 HD12 LEU 53 -9.086 27.023 -7.138 407 HD13 LEU 53 HD13 LEU 53 -10.328 26.448 -8.244 408 HD21 LEU 53 HD21 LEU 53 -9.687 24.451 -9.655 409 HD22 LEU 53 HD22 LEU 53 -9.433 24.232 -7.925 410 HD23 LEU 53 HD23 LEU 53 -8.188 23.734 -9.068 411 H GLU 54 H GLU 54 -9.399 25.141 -12.213 412 HA GLU 54 HA GLU 54 -7.939 25.452 -14.523 413 HB2 GLU 54 HB2 GLU 54 -8.935 23.395 -13.801 414 HB3 GLU 54 HB3 GLU 54 -10.557 24.046 -13.991 415 HG2 GLU 54 HG2 GLU 54 -10.069 24.363 -16.447 416 HG3 GLU 54 HG3 GLU 54 -8.525 23.552 -16.198 417 H GLY 55 H GLY 55 -11.041 26.842 -13.655 418 HA2 GLY 55 HA2 GLY 55 -11.404 27.932 -16.365 419 HA3 GLY 55 HA3 GLY 55 -12.606 27.942 -15.075 420 H MET 56 H MET 56 -10.017 28.793 -13.414 421 HA MET 56 HA MET 56 -10.627 31.635 -13.556 422 HB2 MET 56 HB2 MET 56 -10.448 30.688 -11.355 423 HB3 MET 56 HB3 MET 56 -8.864 30.007 -11.718 424 HG2 MET 56 HG2 MET 56 -7.908 32.242 -11.946 425 HG3 MET 56 HG3 MET 56 -9.493 32.975 -11.707 426 HE1 MET 56 HE1 MET 56 -10.393 32.493 -8.125 427 HE2 MET 56 HE2 MET 56 -10.919 31.509 -9.486 428 HE3 MET 56 HE3 MET 56 -10.704 33.244 -9.694 429 H ASP 57 H ASP 57 -9.119 33.284 -13.906 430 HA ASP 57 HA ASP 57 -7.324 32.953 -16.025 431 HB2 ASP 57 HB2 ASP 57 -7.424 35.086 -13.882 432 HB3 ASP 57 HB3 ASP 57 -6.420 35.186 -15.324 433 H GLU 58 H GLU 58 -5.067 32.833 -16.144 434 HA GLU 58 HA GLU 58 -3.776 31.088 -14.412 435 HB2 GLU 58 HB2 GLU 58 -2.904 31.431 -16.610 436 HB3 GLU 58 HB3 GLU 58 -2.655 33.153 -16.309 437 HG2 GLU 58 HG2 GLU 58 -1.031 32.585 -14.519 438 HG3 GLU 58 HG3 GLU 58 -1.240 30.877 -14.898 439 H SER 59 H SER 59 -3.162 34.608 -14.644 440 HA SER 59 HA SER 59 -1.433 34.789 -12.457 441 HB2 SER 59 HB2 SER 59 -3.369 36.886 -13.468 442 HB3 SER 59 HB3 SER 59 -1.964 37.184 -12.449 443 HG SER 59 HG SER 59 -0.660 36.398 -14.128 444 H CYS 60 H CYS 60 -4.917 34.811 -12.636 445 HA CYS 60 HA CYS 60 -5.359 35.573 -9.901 446 HB2 CYS 60 HB2 CYS 60 -7.225 34.238 -11.873 447 HB3 CYS 60 HB3 CYS 60 -7.697 34.994 -10.351 448 H ARG 61 H ARG 61 -4.768 32.602 -11.578 449 HA ARG 61 HA ARG 61 -5.905 30.774 -9.769 450 HB2 ARG 61 HB2 ARG 61 -5.084 30.250 -12.078 451 HB3 ARG 61 HB3 ARG 61 -3.435 30.358 -11.464 452 HG2 ARG 61 HG2 ARG 61 -4.016 28.589 -9.773 453 HG3 ARG 61 HG3 ARG 61 -5.580 28.412 -10.569 454 HD2 ARG 61 HD2 ARG 61 -2.861 27.981 -11.840 455 HD3 ARG 61 HD3 ARG 61 -4.026 26.727 -11.426 456 HE ARG 61 HE ARG 61 -4.263 28.664 -13.628 457 HH11 ARG 61 HH21 ARG 61 -5.522 25.980 -11.820 458 HH12 ARG 61 HH22 ARG 61 -6.680 25.543 -13.030 459 HH21 ARG 61 HH11 ARG 61 -5.778 28.090 -15.200 460 HH22 ARG 61 HH12 ARG 61 -6.825 26.735 -14.942 461 H CYS 62 H CYS 62 -2.665 32.250 -9.870 462 HA CYS 62 HA CYS 62 -1.463 30.723 -7.855 463 HB2 CYS 62 HB2 CYS 62 -0.696 33.554 -7.795 464 HB3 CYS 62 HB3 CYS 62 0.283 32.130 -8.129 465 H GLU 63 H GLU 63 -2.915 33.961 -7.511 466 HA GLU 63 HA GLU 63 -2.840 34.081 -4.709 467 HB2 GLU 63 HB2 GLU 63 -3.212 36.024 -6.200 468 HB3 GLU 63 HB3 GLU 63 -4.822 35.411 -6.570 469 HG2 GLU 63 HG2 GLU 63 -5.372 35.515 -4.134 470 HG3 GLU 63 HG3 GLU 63 -3.789 36.224 -3.834 471 H GLY 64 H GLY 64 -5.295 32.802 -6.900 472 HA2 GLY 64 HA2 GLY 64 -7.449 32.524 -5.188 473 HA3 GLY 64 HA3 GLY 64 -7.113 31.446 -6.535 474 H LEU 65 H LEU 65 -4.892 30.086 -5.789 475 HA LEU 65 HA LEU 65 -5.871 28.129 -4.053 476 HB2 LEU 65 HB2 LEU 65 -2.971 28.726 -4.684 477 HB3 LEU 65 HB3 LEU 65 -3.612 27.203 -4.060 478 HG LEU 65 HG LEU 65 -4.151 28.466 -6.757 479 HD11 LEU 65 HD11 LEU 65 -3.261 26.331 -7.593 480 HD12 LEU 65 HD12 LEU 65 -3.048 25.764 -5.936 481 HD13 LEU 65 HD13 LEU 65 -2.090 27.120 -6.533 482 HD21 LEU 65 HD21 LEU 65 -6.288 27.657 -6.092 483 HD22 LEU 65 HD22 LEU 65 -5.594 26.238 -5.309 484 HD23 LEU 65 HD23 LEU 65 -5.600 26.361 -7.068 485 H ARG 66 H ARG 66 -3.408 30.632 -3.357 486 HA ARG 66 HA ARG 66 -3.029 29.977 -0.656 487 HB2 ARG 66 HB2 ARG 66 -2.694 32.541 -2.202 488 HB3 ARG 66 HB3 ARG 66 -2.372 32.465 -0.470 489 HG2 ARG 66 HG2 ARG 66 -0.268 31.947 -1.286 490 HG3 ARG 66 HG3 ARG 66 -0.954 30.327 -1.171 491 HD2 ARG 66 HD2 ARG 66 -1.585 30.407 -3.543 492 HD3 ARG 66 HD3 ARG 66 -0.953 32.047 -3.668 493 HE ARG 66 HE ARG 66 1.017 30.187 -2.705 494 HH11 ARG 66 HH21 ARG 66 -0.600 31.416 -5.513 495 HH12 ARG 66 HH22 ARG 66 0.704 31.043 -6.591 496 HH21 ARG 66 HH11 ARG 66 2.723 29.702 -4.116 497 HH22 ARG 66 HH12 ARG 66 2.582 30.075 -5.801 498 H MET 67 H MET 67 -5.269 32.288 -2.157 499 HA MET 67 HA MET 67 -6.406 33.311 0.192 500 HB2 MET 67 HB2 MET 67 -6.972 34.544 -1.678 501 HB3 MET 67 HB3 MET 67 -7.284 33.113 -2.660 502 HG2 MET 67 HG2 MET 67 -9.368 32.702 -1.586 503 HG3 MET 67 HG3 MET 67 -9.017 33.846 -0.293 504 HE1 MET 67 HE1 MET 67 -9.482 37.234 -1.564 505 HE2 MET 67 HE2 MET 67 -7.911 36.569 -2.004 506 HE3 MET 67 HE3 MET 67 -8.654 36.117 -0.471 507 H MET 68 H MET 68 -7.595 30.681 -1.904 508 HA MET 68 HA MET 68 -9.841 30.016 -0.362 509 HB2 MET 68 HB2 MET 68 -8.151 28.450 -2.292 510 HB3 MET 68 HB3 MET 68 -9.533 27.725 -1.479 511 HG2 MET 68 HG2 MET 68 -9.553 29.283 -3.833 512 HG3 MET 68 HG3 MET 68 -10.948 28.686 -2.932 513 HE1 MET 68 HE1 MET 68 -12.669 30.279 -3.050 514 HE2 MET 68 HE2 MET 68 -12.721 31.652 -1.948 515 HE3 MET 68 HE3 MET 68 -12.390 30.040 -1.319 516 H MET 69 H MET 69 -6.499 28.823 -0.199 517 HA MET 69 HA MET 69 -6.791 26.694 1.532 518 HB2 MET 69 HB2 MET 69 -4.652 27.428 0.474 519 HB3 MET 69 HB3 MET 69 -4.562 28.739 1.649 520 HG2 MET 69 HG2 MET 69 -4.631 27.045 3.485 521 HG3 MET 69 HG3 MET 69 -4.596 25.770 2.268 522 HE1 MET 69 HE1 MET 69 -1.329 28.634 3.605 523 HE2 MET 69 HE2 MET 69 -3.037 28.588 4.036 524 HE3 MET 69 HE3 MET 69 -2.541 29.307 2.506 525 H ARG 70 H ARG 70 -5.965 30.011 2.572 526 HA ARG 70 HA ARG 70 -6.368 29.576 5.318 527 HB2 ARG 70 HB2 ARG 70 -5.152 31.514 4.343 528 HB3 ARG 70 HB3 ARG 70 -6.693 32.169 3.788 529 HG2 ARG 70 HG2 ARG 70 -7.505 32.280 6.105 530 HG3 ARG 70 HG3 ARG 70 -5.996 31.573 6.682 531 HD2 ARG 70 HD2 ARG 70 -5.844 33.967 6.969 532 HD3 ARG 70 HD3 ARG 70 -4.772 33.511 5.649 533 HE ARG 70 HE ARG 70 -7.401 34.238 4.730 534 HH11 ARG 70 HH21 ARG 70 -4.314 35.424 5.769 535 HH12 ARG 70 HH22 ARG 70 -4.436 36.907 4.883 536 HH21 ARG 70 HH11 ARG 70 -7.560 36.178 3.569 537 HH22 ARG 70 HH12 ARG 70 -6.271 37.334 3.639 538 H MET 71 H MET 71 -8.573 30.699 2.789 539 HA MET 71 HA MET 71 -10.750 31.369 4.446 540 HB2 MET 71 HB2 MET 71 -10.427 32.027 2.033 541 HB3 MET 71 HB3 MET 71 -10.904 30.389 1.593 542 HG2 MET 71 HG2 MET 71 -13.044 30.717 2.838 543 HG3 MET 71 HG3 MET 71 -12.572 32.388 3.149 544 HE1 MET 71 HE1 MET 71 -12.540 34.151 -0.133 545 HE2 MET 71 HE2 MET 71 -11.111 33.190 0.234 546 HE3 MET 71 HE3 MET 71 -11.963 34.020 1.533 547 H MET 72 H MET 72 -9.686 28.325 3.054 548 HA MET 72 HA MET 72 -12.005 26.829 3.274 549 HB2 MET 72 HB2 MET 72 -9.112 26.054 3.594 550 HB3 MET 72 HB3 MET 72 -10.408 24.868 3.669 551 HG2 MET 72 HG2 MET 72 -10.948 26.448 1.392 552 HG3 MET 72 HG3 MET 72 -9.219 26.108 1.346 553 HE1 MET 72 HE1 MET 72 -12.777 24.725 1.669 554 HE2 MET 72 HE2 MET 72 -12.021 23.961 3.063 555 HE3 MET 72 HE3 MET 72 -12.564 22.971 1.714 556 H GLN 73 H GLN 73 -9.407 27.074 5.705 557 HA GLN 73 HA GLN 73 -10.708 25.597 7.706 558 HB2 GLN 73 HB2 GLN 73 -8.731 27.856 8.088 559 HB3 GLN 73 HB3 GLN 73 -9.094 26.574 9.243 560 HG2 GLN 73 HG2 GLN 73 -7.705 26.346 6.569 561 HG3 GLN 73 HG3 GLN 73 -7.100 25.871 8.154 562 HE21 GLN 73 HE21 GLN 73 -8.717 24.733 5.359 563 HE22 GLN 73 HE22 GLN 73 -9.222 23.238 5.978 564 H GLN 74 H GLN 74 -10.739 29.049 6.968 565 HA GLN 74 HA GLN 74 -12.196 29.919 9.204 566 HB2 GLN 74 HB2 GLN 74 -11.161 31.614 7.990 567 HB3 GLN 74 HB3 GLN 74 -11.767 31.015 6.448 568 HG2 GLN 74 HG2 GLN 74 -13.886 31.703 8.369 569 HG3 GLN 74 HG3 GLN 74 -12.894 33.081 7.883 570 HE21 GLN 74 HE21 GLN 74 -13.240 30.407 5.645 571 HE22 GLN 74 HE22 GLN 74 -14.293 31.192 4.578 572 H LYS 75 H LYS 75 -13.298 28.691 6.071 573 HA LYS 75 HA LYS 75 -16.001 29.351 6.264 574 HB2 LYS 75 HB2 LYS 75 -14.868 28.401 4.249 575 HB3 LYS 75 HB3 LYS 75 -14.847 26.829 5.045 576 HG2 LYS 75 HG2 LYS 75 -16.791 26.783 3.686 577 HG3 LYS 75 HG3 LYS 75 -17.395 27.118 5.308 578 HD2 LYS 75 HD2 LYS 75 -17.522 29.507 4.810 579 HD3 LYS 75 HD3 LYS 75 -16.807 29.239 3.220 580 HE2 LYS 75 HE2 LYS 75 -18.750 27.736 2.675 581 HE3 LYS 75 HE3 LYS 75 -19.487 28.222 4.203 582 HZ1 LYS 75 HZ1 LYS 75 -19.417 30.521 3.467 583 HZ2 LYS 75 HZ2 LYS 75 -20.296 29.566 2.369 584 HZ3 LYS 75 HZ3 LYS 75 -18.711 30.052 1.997 585 H GLU 76 H GLU 76 -14.281 26.509 7.483 586 HA GLU 76 HA GLU 76 -16.121 26.148 9.641 587 HB2 GLU 76 HB2 GLU 76 -17.428 25.210 7.685 588 HB3 GLU 76 HB3 GLU 76 -16.179 23.978 7.533 589 HG2 GLU 76 HG2 GLU 76 -17.954 23.047 8.878 590 HG3 GLU 76 HG3 GLU 76 -16.588 23.363 9.943 591 H MET 77 H MET 77 -13.814 26.423 10.395 592 HA MET 77 HA MET 77 -11.794 24.558 9.964 593 HB2 MET 77 HB2 MET 77 -11.576 26.734 11.200 594 HB3 MET 77 HB3 MET 77 -12.342 25.961 12.586 595 HG2 MET 77 HG2 MET 77 -10.542 24.204 12.518 596 HG3 MET 77 HG3 MET 77 -9.740 25.145 11.261 597 HE1 MET 77 HE1 MET 77 -10.299 28.264 12.294 598 HE2 MET 77 HE2 MET 77 -9.058 27.414 11.379 599 HE3 MET 77 HE3 MET 77 -8.611 28.333 12.814 600 H GLN 78 H GLN 78 -12.581 22.445 9.887 601 HA GLN 78 HA GLN 78 -14.163 21.168 11.831 602 HB2 GLN 78 HB2 GLN 78 -12.026 19.557 10.530 603 HB3 GLN 78 HB3 GLN 78 -13.754 19.236 10.664 604 HG2 GLN 78 HG2 GLN 78 -14.101 21.146 9.001 605 HG3 GLN 78 HG3 GLN 78 -12.360 21.094 8.726 606 HE21 GLN 78 HE21 GLN 78 -15.085 20.078 7.280 607 HE22 GLN 78 HE22 GLN 78 -14.563 18.601 6.629 608 HA PRO 79 HA PRO 79 -11.053 20.635 14.967 609 HB2 PRO 79 HB2 PRO 79 -12.228 18.850 16.572 610 HB3 PRO 79 HB3 PRO 79 -12.995 20.424 16.273 611 HG2 PRO 79 HG2 PRO 79 -13.675 17.753 15.184 612 HG3 PRO 79 HG3 PRO 79 -14.731 19.114 15.586 613 HD2 PRO 79 HD2 PRO 79 -13.741 18.430 13.000 614 HD3 PRO 79 HD3 PRO 79 -14.627 19.908 13.444 615 H ARG 80 H ARG 80 -9.225 19.742 14.224 616 HA ARG 80 HA ARG 80 -8.536 17.095 14.798 617 HB2 ARG 80 HB2 ARG 80 -9.794 17.442 12.222 618 HB3 ARG 80 HB3 ARG 80 -8.120 16.918 12.017 619 HG2 ARG 80 HG2 ARG 80 -8.466 14.908 13.109 620 HG3 ARG 80 HG3 ARG 80 -9.767 15.551 14.109 621 HD2 ARG 80 HD2 ARG 80 -10.710 14.011 12.484 622 HD3 ARG 80 HD3 ARG 80 -11.223 15.647 12.086 623 HE ARG 80 HE ARG 80 -9.219 14.054 10.624 624 HH11 ARG 80 HH21 ARG 80 -11.181 16.902 10.957 625 HH12 ARG 80 HH22 ARG 80 -10.919 17.429 9.330 626 HH21 ARG 80 HH11 ARG 80 -8.884 14.753 8.502 627 HH22 ARG 80 HH12 ARG 80 -9.622 16.218 7.945 628 H GLY 81 H GLY 81 -6.363 17.178 15.154 629 HA2 GLY 81 HA2 GLY 81 -4.923 19.500 14.116 630 HA3 GLY 81 HA3 GLY 81 -4.363 18.401 15.366 631 H GLU 82 H GLU 82 -3.792 16.179 14.620 632 HA GLU 82 HA GLU 82 -1.778 16.287 12.691 633 HB2 GLU 82 HB2 GLU 82 -1.826 14.687 14.553 634 HB3 GLU 82 HB3 GLU 82 -3.173 13.845 13.791 635 HG2 GLU 82 HG2 GLU 82 -1.107 12.680 13.241 636 HG3 GLU 82 HG3 GLU 82 -1.737 13.441 11.784 637 H GLN 83 H GLN 83 -5.074 14.933 12.356 638 HA GLN 83 HA GLN 83 -4.677 13.702 9.881 639 HB2 GLN 83 HB2 GLN 83 -6.688 13.492 11.412 640 HB3 GLN 83 HB3 GLN 83 -7.268 15.000 10.708 641 HG2 GLN 83 HG2 GLN 83 -8.263 13.221 9.434 642 HG3 GLN 83 HG3 GLN 83 -6.999 13.921 8.427 643 HE21 GLN 83 HE21 GLN 83 -6.947 11.484 11.100 644 HE22 GLN 83 HE22 GLN 83 -6.083 10.324 10.211 645 H MET 84 H MET 84 -6.391 16.819 10.310 646 HA MET 84 HA MET 84 -6.302 17.460 7.569 647 HB2 MET 84 HB2 MET 84 -6.791 19.109 10.029 648 HB3 MET 84 HB3 MET 84 -6.764 19.837 8.420 649 HG2 MET 84 HG2 MET 84 -8.466 18.055 7.722 650 HG3 MET 84 HG3 MET 84 -8.622 17.664 9.431 651 HE1 MET 84 HE1 MET 84 -8.072 20.505 10.720 652 HE2 MET 84 HE2 MET 84 -9.300 19.374 11.280 653 HE3 MET 84 HE3 MET 84 -9.730 21.054 10.983 654 H ARG 85 H ARG 85 -3.983 18.090 10.158 655 HA ARG 85 HA ARG 85 -2.471 20.117 9.002 656 HB2 ARG 85 HB2 ARG 85 -2.047 19.164 11.261 657 HB3 ARG 85 HB3 ARG 85 -1.371 17.723 10.502 658 HG2 ARG 85 HG2 ARG 85 0.330 19.133 9.376 659 HG3 ARG 85 HG3 ARG 85 -0.337 20.557 10.174 660 HD2 ARG 85 HD2 ARG 85 1.523 19.875 11.505 661 HD3 ARG 85 HD3 ARG 85 0.086 19.359 12.384 662 HE ARG 85 HE ARG 85 0.690 17.163 10.912 663 HH11 ARG 85 HH21 ARG 85 2.542 19.255 12.965 664 HH12 ARG 85 HH22 ARG 85 3.661 18.021 13.439 665 HH21 ARG 85 HH11 ARG 85 2.158 15.549 11.532 666 HH22 ARG 85 HH12 ARG 85 3.444 15.927 12.630 667 H ARG 86 H ARG 86 -2.135 16.599 8.555 668 HA ARG 86 HA ARG 86 -0.059 16.687 6.645 669 HB2 ARG 86 HB2 ARG 86 -2.272 14.658 7.060 670 HB3 ARG 86 HB3 ARG 86 -0.870 14.410 6.017 671 HG2 ARG 86 HG2 ARG 86 0.636 14.699 7.938 672 HG3 ARG 86 HG3 ARG 86 -0.746 14.999 8.991 673 HD2 ARG 86 HD2 ARG 86 -0.082 12.683 9.250 674 HD3 ARG 86 HD3 ARG 86 -1.622 12.726 8.399 675 HE ARG 86 HE ARG 86 0.992 12.043 7.234 676 HH11 ARG 86 HH21 ARG 86 -2.431 12.518 6.890 677 HH12 ARG 86 HH22 ARG 86 -2.529 11.672 5.383 678 HH21 ARG 86 HH11 ARG 86 0.855 10.940 5.262 679 HH22 ARG 86 HH12 ARG 86 -0.673 10.781 4.463 680 H MET 87 H MET 87 -3.560 16.847 6.397 681 HA MET 87 HA MET 87 -3.892 16.617 3.642 682 HB2 MET 87 HB2 MET 87 -5.682 16.700 5.465 683 HB3 MET 87 HB3 MET 87 -5.558 18.456 5.347 684 HG2 MET 87 HG2 MET 87 -5.713 17.689 2.696 685 HG3 MET 87 HG3 MET 87 -6.789 16.545 3.488 686 HE1 MET 87 HE1 MET 87 -7.847 19.164 6.056 687 HE2 MET 87 HE2 MET 87 -7.770 17.448 5.673 688 HE3 MET 87 HE3 MET 87 -9.250 18.346 5.356 689 H MET 88 H MET 88 -2.681 19.356 5.493 690 HA MET 88 HA MET 88 -3.279 21.488 3.863 691 HB2 MET 88 HB2 MET 88 -0.652 20.878 5.237 692 HB3 MET 88 HB3 MET 88 -1.027 22.430 4.489 693 HG2 MET 88 HG2 MET 88 -3.104 22.508 5.953 694 HG3 MET 88 HG3 MET 88 -2.452 21.118 6.817 695 HE1 MET 88 HE1 MET 88 -0.180 21.038 7.968 696 HE2 MET 88 HE2 MET 88 0.914 22.396 8.206 697 HE3 MET 88 HE3 MET 88 0.704 21.717 6.595 698 H ARG 89 H ARG 89 -0.547 19.224 3.432 699 HA ARG 89 HA ARG 89 0.348 20.298 0.965 700 HB2 ARG 89 HB2 ARG 89 0.565 17.463 2.020 701 HB3 ARG 89 HB3 ARG 89 1.495 18.129 0.680 702 HG2 ARG 89 HG2 ARG 89 1.530 19.272 3.489 703 HG3 ARG 89 HG3 ARG 89 2.728 18.132 2.877 704 HD2 ARG 89 HD2 ARG 89 2.123 20.856 1.684 705 HD3 ARG 89 HD3 ARG 89 3.522 20.464 2.676 706 HE ARG 89 HE ARG 89 3.147 19.801 -0.113 707 HH11 ARG 89 HH21 ARG 89 4.722 18.981 2.865 708 HH12 ARG 89 HH22 ARG 89 6.049 18.175 2.096 709 HH21 ARG 89 HH11 ARG 89 4.881 18.745 -1.117 710 HH22 ARG 89 HH12 ARG 89 6.138 18.040 -0.155 711 H LEU 90 H LEU 90 -1.962 17.780 1.820 712 HA LEU 90 HA LEU 90 -2.581 16.792 -0.726 713 HB2 LEU 90 HB2 LEU 90 -3.248 15.657 1.312 714 HB3 LEU 90 HB3 LEU 90 -4.252 17.021 1.779 715 HG LEU 90 HG LEU 90 -5.534 16.633 -0.410 716 HD11 LEU 90 HD11 LEU 90 -5.372 14.137 -1.050 717 HD12 LEU 90 HD12 LEU 90 -3.804 14.174 -0.245 718 HD13 LEU 90 HD13 LEU 90 -4.107 15.215 -1.636 719 HD21 LEU 90 HD21 LEU 90 -6.802 15.998 1.404 720 HD22 LEU 90 HD22 LEU 90 -5.536 14.963 2.061 721 HD23 LEU 90 HD23 LEU 90 -6.527 14.400 0.715 722 H ALA 91 H ALA 91 -4.025 19.463 1.128 723 HA ALA 91 HA ALA 91 -6.135 20.079 -0.599 724 HB1 ALA 91 HB1 ALA 91 -4.497 22.021 1.049 725 HB2 ALA 91 HB2 ALA 91 -5.831 21.048 1.669 726 HB3 ALA 91 HB3 ALA 91 -6.133 22.279 0.444 727 H GLU 92 H GLU 92 -2.862 21.479 -0.482 728 HA GLU 92 HA GLU 92 -3.102 23.141 -2.741 729 HB2 GLU 92 HB2 GLU 92 -1.277 23.196 -0.988 730 HB3 GLU 92 HB3 GLU 92 -0.559 21.803 -1.795 731 HG2 GLU 92 HG2 GLU 92 -1.270 24.250 -3.396 732 HG3 GLU 92 HG3 GLU 92 0.217 24.230 -2.454 733 H ASN 93 H ASN 93 -2.492 19.717 -2.440 734 HA ASN 93 HA ASN 93 -1.387 19.292 -5.023 735 HB2 ASN 93 HB2 ASN 93 -1.289 17.712 -3.040 736 HB3 ASN 93 HB3 ASN 93 -2.958 17.279 -3.413 737 HD21 ASN 93 HD21 ASN 93 -2.206 15.060 -3.945 738 HD22 ASN 93 HD22 ASN 93 -1.430 14.759 -5.423 739 H ILE 94 H ILE 94 -4.706 19.370 -3.807 740 HA ILE 94 HA ILE 94 -6.044 18.183 -5.929 741 HB ILE 94 HB ILE 94 -6.811 20.366 -4.010 742 HG12 ILE 94 HG12 ILE 94 -7.964 17.604 -4.482 743 HG13 ILE 94 HG13 ILE 94 -6.621 17.907 -3.378 744 HG21 ILE 94 HG21 ILE 94 -8.156 21.044 -5.806 745 HG22 ILE 94 HG22 ILE 94 -9.194 19.872 -4.995 746 HG23 ILE 94 HG23 ILE 94 -8.301 19.407 -6.441 747 HD11 ILE 94 HD11 ILE 94 -8.007 19.462 -2.080 748 HD12 ILE 94 HD12 ILE 94 -8.801 17.891 -2.191 749 HD13 ILE 94 HD13 ILE 94 -9.347 19.229 -3.203 750 HA PRO 95 HA PRO 95 -6.300 22.421 -8.222 751 HB2 PRO 95 HB2 PRO 95 -4.548 24.379 -7.397 752 HB3 PRO 95 HB3 PRO 95 -6.221 24.235 -6.825 753 HG2 PRO 95 HG2 PRO 95 -3.692 23.397 -5.515 754 HG3 PRO 95 HG3 PRO 95 -5.151 24.107 -4.808 755 HD2 PRO 95 HD2 PRO 95 -4.588 21.444 -4.648 756 HD3 PRO 95 HD3 PRO 95 -6.246 22.077 -4.679 757 H SER 96 H SER 96 -3.292 21.078 -7.105 758 HA SER 96 HA SER 96 -1.519 22.035 -9.088 759 HB2 SER 96 HB2 SER 96 -1.449 19.338 -7.708 760 HB3 SER 96 HB3 SER 96 -0.102 20.147 -8.502 761 HG SER 96 HG SER 96 -1.550 21.058 -6.233 762 H ARG 97 H ARG 97 -3.796 19.486 -8.851 763 HA ARG 97 HA ARG 97 -3.275 17.960 -11.103 764 HB2 ARG 97 HB2 ARG 97 -5.875 18.660 -9.737 765 HB3 ARG 97 HB3 ARG 97 -5.675 17.382 -10.900 766 HG2 ARG 97 HG2 ARG 97 -3.890 16.386 -9.435 767 HG3 ARG 97 HG3 ARG 97 -4.318 17.589 -8.220 768 HD2 ARG 97 HD2 ARG 97 -6.149 15.473 -9.376 769 HD3 ARG 97 HD3 ARG 97 -5.495 15.510 -7.741 770 HE ARG 97 HE ARG 97 -6.898 17.907 -8.165 771 HH11 ARG 97 HH21 ARG 97 -7.446 14.492 -7.945 772 HH12 ARG 97 HH22 ARG 97 -9.067 14.652 -7.359 773 HH21 ARG 97 HH11 ARG 97 -9.025 18.116 -7.402 774 HH22 ARG 97 HH12 ARG 97 -9.958 16.700 -7.051 775 H CYS 98 H CYS 98 -4.838 21.087 -10.776 776 HA CYS 98 HA CYS 98 -5.605 21.068 -13.615 777 HB2 CYS 98 HB2 CYS 98 -6.213 23.436 -11.962 778 HB3 CYS 98 HB3 CYS 98 -7.221 22.577 -13.118 779 H ASN 99 H ASN 99 -3.187 22.125 -11.470 780 HA ASN 99 HA ASN 99 -2.561 24.602 -12.532 781 HB2 ASN 99 HB2 ASN 99 -0.752 22.547 -11.307 782 HB3 ASN 99 HB3 ASN 99 -0.189 24.108 -11.928 783 HD21 ASN 99 HD21 ASN 99 -3.207 24.882 -11.057 784 HD22 ASN 99 HD22 ASN 99 -2.964 25.339 -9.446 785 H LEU 100 H LEU 100 -1.110 25.294 -13.906 786 HA LEU 100 HA LEU 100 -0.279 23.533 -16.096 787 HB2 LEU 100 HB2 LEU 100 -1.490 25.729 -17.324 788 HB3 LEU 100 HB3 LEU 100 -2.174 24.107 -17.192 789 HG LEU 100 HG LEU 100 -2.927 24.946 -14.762 790 HD11 LEU 100 HD11 LEU 100 -2.216 27.054 -14.407 791 HD12 LEU 100 HD12 LEU 100 -3.599 27.508 -15.402 792 HD13 LEU 100 HD13 LEU 100 -1.995 27.385 -16.125 793 HD21 LEU 100 HD21 LEU 100 -4.318 24.368 -16.854 794 HD22 LEU 100 HD22 LEU 100 -4.435 26.115 -17.071 795 HD23 LEU 100 HD23 LEU 100 -5.045 25.364 -15.596 796 H SER 101 H SER 101 1.550 24.222 -17.073 797 HA SER 101 HA SER 101 3.437 25.813 -16.040 798 HB2 SER 101 HB2 SER 101 4.248 26.214 -18.409 799 HB3 SER 101 HB3 SER 101 3.959 24.532 -17.977 800 HG SER 101 HG SER 101 1.828 24.840 -18.920 801 HA PRO 102 HA PRO 102 1.323 29.808 -16.502 802 HB2 PRO 102 HB2 PRO 102 2.334 30.607 -13.957 803 HB3 PRO 102 HB3 PRO 102 0.699 30.035 -14.325 804 HG2 PRO 102 HG2 PRO 102 2.550 28.707 -12.742 805 HG3 PRO 102 HG3 PRO 102 1.112 27.982 -13.482 806 HD2 PRO 102 HD2 PRO 102 3.958 27.887 -14.427 807 HD3 PRO 102 HD3 PRO 102 2.701 26.627 -14.478 808 H MET 103 H MET 103 2.202 31.732 -17.247 809 HA MET 103 HA MET 103 5.008 31.817 -17.782 810 HB2 MET 103 HB2 MET 103 3.223 32.848 -19.227 811 HB3 MET 103 HB3 MET 103 3.018 34.089 -17.992 812 HG2 MET 103 HG2 MET 103 4.543 35.053 -19.520 813 HG3 MET 103 HG3 MET 103 5.568 34.461 -18.215 814 HE1 MET 103 HE1 MET 103 8.090 33.495 -20.764 815 HE2 MET 103 HE2 MET 103 7.781 33.853 -19.068 816 HE3 MET 103 HE3 MET 103 7.279 34.999 -20.307 817 H ARG 104 H ARG 104 2.925 33.983 -15.838 818 HA ARG 104 HA ARG 104 5.012 34.207 -13.811 819 HB2 ARG 104 HB2 ARG 104 4.027 36.566 -15.428 820 HB3 ARG 104 HB3 ARG 104 4.825 36.737 -13.868 821 HG2 ARG 104 HG2 ARG 104 6.050 35.287 -16.233 822 HG3 ARG 104 HG3 ARG 104 6.367 36.974 -15.844 823 HD2 ARG 104 HD2 ARG 104 6.891 34.644 -13.976 824 HD3 ARG 104 HD3 ARG 104 8.114 35.459 -14.937 825 HE ARG 104 HE ARG 104 7.753 37.448 -13.603 826 HH11 ARG 104 HH21 ARG 104 6.179 34.557 -12.486 827 HH12 ARG 104 HH22 ARG 104 5.970 35.142 -10.871 828 HH21 ARG 104 HH11 ARG 104 7.474 38.199 -11.490 829 HH22 ARG 104 HH12 ARG 104 6.701 37.197 -10.309 830 H CYS 105 H CYS 105 4.243 34.813 -11.801 831 HA CYS 105 HA CYS 105 1.308 35.167 -11.593 832 HB2 CYS 105 HB2 CYS 105 3.231 33.526 -9.989 833 HB3 CYS 105 HB3 CYS 105 1.832 34.228 -9.173 834 HA PRO 106 HA PRO 106 3.086 39.042 -9.925 835 HB2 PRO 106 HB2 PRO 106 0.427 40.136 -10.438 836 HB3 PRO 106 HB3 PRO 106 1.987 40.636 -11.115 837 HG2 PRO 106 HG2 PRO 106 0.063 39.393 -12.566 838 HG3 PRO 106 HG3 PRO 106 1.792 39.257 -12.921 839 HD2 PRO 106 HD2 PRO 106 -0.016 37.279 -11.573 840 HD3 PRO 106 HD3 PRO 106 1.352 36.995 -12.673 841 H MET 107 H MET 107 1.039 36.849 -8.814 842 HA MET 107 HA MET 107 -0.425 38.309 -6.846 843 HB2 MET 107 HB2 MET 107 0.253 35.425 -7.176 844 HB3 MET 107 HB3 MET 107 -0.892 36.035 -5.975 845 HG2 MET 107 HG2 MET 107 -1.110 36.152 -8.990 846 HG3 MET 107 HG3 MET 107 -2.227 35.439 -7.839 847 HE1 MET 107 HE1 MET 107 -3.558 37.473 -9.988 848 HE2 MET 107 HE2 MET 107 -1.837 37.780 -10.208 849 HE3 MET 107 HE3 MET 107 -2.923 39.118 -9.845 850 H GLY 108 H GLY 108 0.721 39.394 -5.535 851 HA2 GLY 108 HA2 GLY 108 1.877 39.806 -3.585 852 HA3 GLY 108 HA3 GLY 108 2.117 38.077 -3.398 853 H GLY 109 H GLY 109 3.027 39.680 -6.345 854 HA2 GLY 109 HA2 GLY 109 5.069 39.968 -7.372 855 HA3 GLY 109 HA3 GLY 109 5.644 40.470 -5.785 856 H SER 110 H SER 110 4.856 37.501 -7.623 857 HA SER 110 HA SER 110 6.079 35.582 -6.105 858 HB2 SER 110 HB2 SER 110 4.902 35.078 -8.195 859 HB3 SER 110 HB3 SER 110 6.198 35.826 -9.122 860 HG SER 110 HG SER 110 7.608 34.250 -8.220 861 H ILE 111 H ILE 111 8.140 34.708 -5.901 862 HA ILE 111 HA ILE 111 10.361 36.516 -6.721 863 HB ILE 111 HB ILE 111 10.216 34.665 -4.323 864 HG12 ILE 111 HG12 ILE 111 10.149 37.700 -4.443 865 HG13 ILE 111 HG13 ILE 111 8.720 36.689 -4.218 866 HG21 ILE 111 HG21 ILE 111 12.283 36.036 -3.682 867 HG22 ILE 111 HG22 ILE 111 12.310 36.594 -5.355 868 HG23 ILE 111 HG23 ILE 111 12.501 34.878 -4.994 869 HD11 ILE 111 HD11 ILE 111 11.113 36.915 -2.375 870 HD12 ILE 111 HD12 ILE 111 9.871 35.675 -2.203 871 HD13 ILE 111 HD13 ILE 111 9.447 37.378 -2.029 872 H ALA 112 H ALA 112 9.034 33.394 -6.771 873 HA ALA 112 HA ALA 112 11.067 32.373 -8.572 874 HB1 ALA 112 HB1 ALA 112 11.262 30.261 -7.342 875 HB2 ALA 112 HB2 ALA 112 10.243 30.908 -6.055 876 HB3 ALA 112 HB3 ALA 112 11.846 31.589 -6.338 877 H GLY 113 H GLY 113 10.296 30.515 -9.663 878 HA2 GLY 113 HA2 GLY 113 8.286 30.270 -11.059 879 HA3 GLY 113 HA3 GLY 113 8.412 28.944 -9.904 880 H PHE 114 H PHE 114 6.713 28.590 -8.799 881 HA PHE 114 HA PHE 114 5.090 30.595 -7.571 882 HB2 PHE 114 HB2 PHE 114 3.107 29.292 -9.147 883 HB3 PHE 114 HB3 PHE 114 3.560 30.996 -9.171 884 HD1 PHE 114 HD1 PHE 114 4.878 27.700 -10.428 885 HD2 PHE 114 HD2 PHE 114 4.260 31.881 -11.209 886 HE1 PHE 114 HE1 PHE 114 5.844 27.422 -12.692 887 HE2 PHE 114 HE2 PHE 114 5.227 31.599 -13.474 888 HZ PHE 114 HZ PHE 114 6.020 29.370 -14.214 Start of MODEL 12 1 H1 GLU 1 H1 GLU 1 2.002 42.693 -6.881 2 H2 GLU 1 H2 GLU 1 1.919 41.139 -6.200 3 H3 GLU 1 H3 GLU 1 1.649 42.509 -5.233 4 HA GLU 1 HA GLU 1 -0.203 41.020 -6.751 5 HB2 GLU 1 HB2 GLU 1 -0.428 41.914 -4.408 6 HB3 GLU 1 HB3 GLU 1 -0.576 43.531 -5.093 7 HG2 GLU 1 HG2 GLU 1 -2.808 42.684 -4.718 8 HG3 GLU 1 HG3 GLU 1 -2.524 42.708 -6.456 9 H ALA 2 H ALA 2 -0.523 41.353 -8.866 10 HA ALA 2 HA ALA 2 -0.010 43.778 -10.239 11 HB1 ALA 2 HB1 ALA 2 0.019 41.983 -11.684 12 HB2 ALA 2 HB2 ALA 2 -1.619 42.569 -11.970 13 HB3 ALA 2 HB3 ALA 2 -1.349 41.192 -10.902 14 H GLU 3 H GLU 3 -1.449 45.282 -11.143 15 HA GLU 3 HA GLU 3 -3.558 46.134 -9.473 16 HB2 GLU 3 HB2 GLU 3 -3.947 47.853 -11.087 17 HB3 GLU 3 HB3 GLU 3 -2.208 47.569 -11.070 18 HG2 GLU 3 HG2 GLU 3 -4.165 46.409 -13.081 19 HG3 GLU 3 HG3 GLU 3 -3.057 47.743 -13.383 20 H ALA 4 H ALA 4 -3.437 43.811 -11.995 21 HA ALA 4 HA ALA 4 -6.174 43.917 -12.798 22 HB1 ALA 4 HB1 ALA 4 -4.445 42.909 -14.228 23 HB2 ALA 4 HB2 ALA 4 -5.718 41.744 -13.862 24 HB3 ALA 4 HB3 ALA 4 -4.173 41.656 -13.016 25 H GLN 5 H GLN 5 -4.944 43.245 -9.887 26 HA GLN 5 HA GLN 5 -6.004 40.867 -8.965 27 HB2 GLN 5 HB2 GLN 5 -4.614 42.371 -7.611 28 HB3 GLN 5 HB3 GLN 5 -5.926 43.547 -7.568 29 HG2 GLN 5 HG2 GLN 5 -7.364 41.878 -6.423 30 HG3 GLN 5 HG3 GLN 5 -6.031 40.728 -6.444 31 HE21 GLN 5 HE21 GLN 5 -5.109 40.642 -4.393 32 HE22 GLN 5 HE22 GLN 5 -4.836 41.986 -3.393 33 H GLU 6 H GLU 6 -7.617 43.951 -9.566 34 HA GLU 6 HA GLU 6 -10.068 43.508 -8.343 35 HB2 GLU 6 HB2 GLU 6 -10.991 45.094 -9.988 36 HB3 GLU 6 HB3 GLU 6 -9.444 45.653 -9.353 37 HG2 GLU 6 HG2 GLU 6 -8.354 44.567 -11.385 38 HG3 GLU 6 HG3 GLU 6 -9.979 44.360 -12.039 39 H GLU 7 H GLU 7 -9.084 42.628 -11.658 40 HA GLU 7 HA GLU 7 -11.478 41.422 -12.465 41 HB2 GLU 7 HB2 GLU 7 -9.806 41.857 -14.122 42 HB3 GLU 7 HB3 GLU 7 -8.599 40.915 -13.247 43 HG2 GLU 7 HG2 GLU 7 -11.096 39.477 -13.986 44 HG3 GLU 7 HG3 GLU 7 -10.030 39.913 -15.319 45 H CYS 8 H CYS 8 -8.673 40.169 -10.732 46 HA CYS 8 HA CYS 8 -9.512 37.476 -10.661 47 HB2 CYS 8 HB2 CYS 8 -7.708 38.928 -8.716 48 HB3 CYS 8 HB3 CYS 8 -7.818 37.183 -8.928 49 H ARG 9 H ARG 9 -9.836 40.142 -8.339 50 HA ARG 9 HA ARG 9 -11.026 38.784 -6.230 51 HB2 ARG 9 HB2 ARG 9 -10.281 41.156 -6.170 52 HB3 ARG 9 HB3 ARG 9 -11.682 41.593 -7.149 53 HG2 ARG 9 HG2 ARG 9 -13.183 40.691 -5.401 54 HG3 ARG 9 HG3 ARG 9 -11.780 40.270 -4.419 55 HD2 ARG 9 HD2 ARG 9 -12.439 43.081 -5.343 56 HD3 ARG 9 HD3 ARG 9 -12.834 42.439 -3.753 57 HE ARG 9 HE ARG 9 -10.511 42.406 -3.223 58 HH11 ARG 9 HH21 ARG 9 -11.206 43.630 -6.398 59 HH12 ARG 9 HH22 ARG 9 -9.655 44.373 -6.591 60 HH21 ARG 9 HH11 ARG 9 -8.486 43.380 -3.486 61 HH22 ARG 9 HH12 ARG 9 -8.119 44.232 -4.949 62 H GLU 10 H GLU 10 -12.546 40.188 -9.119 63 HA GLU 10 HA GLU 10 -15.226 39.683 -8.403 64 HB2 GLU 10 HB2 GLU 10 -14.643 41.128 -10.287 65 HB3 GLU 10 HB3 GLU 10 -13.929 39.763 -11.143 66 HG2 GLU 10 HG2 GLU 10 -16.771 39.543 -10.212 67 HG3 GLU 10 HG3 GLU 10 -16.426 40.516 -11.640 68 H GLN 11 H GLN 11 -12.897 37.770 -10.276 69 HA GLN 11 HA GLN 11 -14.558 35.563 -10.786 70 HB2 GLN 11 HB2 GLN 11 -11.551 35.799 -10.624 71 HB3 GLN 11 HB3 GLN 11 -12.387 34.337 -11.151 72 HG2 GLN 11 HG2 GLN 11 -13.562 35.696 -12.896 73 HG3 GLN 11 HG3 GLN 11 -12.585 37.081 -12.423 74 HE21 GLN 11 HE21 GLN 11 -10.430 34.702 -11.944 75 HE22 GLN 11 HE22 GLN 11 -9.752 34.568 -13.493 76 H MET 12 H MET 12 -12.684 36.412 -7.933 77 HA MET 12 HA MET 12 -12.409 33.958 -6.685 78 HB2 MET 12 HB2 MET 12 -13.103 36.634 -5.455 79 HB3 MET 12 HB3 MET 12 -12.648 35.213 -4.520 80 HG2 MET 12 HG2 MET 12 -10.499 35.102 -5.739 81 HG3 MET 12 HG3 MET 12 -10.948 36.543 -6.645 82 HE1 MET 12 HE1 MET 12 -8.129 36.546 -4.751 83 HE2 MET 12 HE2 MET 12 -8.395 38.285 -4.670 84 HE3 MET 12 HE3 MET 12 -8.842 37.400 -6.125 85 H GLN 13 H GLN 13 -15.296 36.014 -6.862 86 HA GLN 13 HA GLN 13 -16.931 34.489 -5.119 87 HB2 GLN 13 HB2 GLN 13 -17.713 36.203 -7.498 88 HB3 GLN 13 HB3 GLN 13 -18.819 35.615 -6.256 89 HG2 GLN 13 HG2 GLN 13 -17.463 36.809 -4.533 90 HG3 GLN 13 HG3 GLN 13 -16.456 37.467 -5.822 91 HE21 GLN 13 HE21 GLN 13 -17.250 39.290 -6.965 92 HE22 GLN 13 HE22 GLN 13 -18.771 39.986 -6.676 93 H ARG 14 H ARG 14 -16.399 34.441 -8.588 94 HA ARG 14 HA ARG 14 -18.165 32.403 -9.327 95 HB2 ARG 14 HB2 ARG 14 -15.555 33.386 -10.497 96 HB3 ARG 14 HB3 ARG 14 -16.550 32.162 -11.271 97 HG2 ARG 14 HG2 ARG 14 -18.463 33.763 -11.276 98 HG3 ARG 14 HG3 ARG 14 -17.403 34.990 -10.581 99 HD2 ARG 14 HD2 ARG 14 -17.460 35.347 -12.968 100 HD3 ARG 14 HD3 ARG 14 -15.878 34.690 -12.562 101 HE ARG 14 HE ARG 14 -16.410 32.790 -13.787 102 HH11 ARG 14 HH21 ARG 14 -19.262 34.633 -13.082 103 HH12 ARG 14 HH22 ARG 14 -20.294 33.670 -14.088 104 HH21 ARG 14 HH11 ARG 14 -17.760 31.531 -15.098 105 HH22 ARG 14 HH12 ARG 14 -19.444 31.917 -15.228 106 H GLN 15 H GLN 15 -14.857 32.467 -8.176 107 HA GLN 15 HA GLN 15 -14.395 29.692 -8.513 108 HB2 GLN 15 HB2 GLN 15 -12.965 32.036 -7.542 109 HB3 GLN 15 HB3 GLN 15 -12.610 30.596 -6.586 110 HG2 GLN 15 HG2 GLN 15 -11.048 30.777 -8.475 111 HG3 GLN 15 HG3 GLN 15 -12.079 29.364 -8.671 112 HE21 GLN 15 HE21 GLN 15 -12.814 29.176 -10.791 113 HE22 GLN 15 HE22 GLN 15 -13.177 30.478 -11.816 114 H GLN 16 H GLN 16 -16.426 29.059 -7.578 115 HA GLN 16 HA GLN 16 -16.708 29.208 -4.681 116 HB2 GLN 16 HB2 GLN 16 -18.391 27.826 -6.789 117 HB3 GLN 16 HB3 GLN 16 -18.806 27.955 -5.077 118 HG2 GLN 16 HG2 GLN 16 -18.754 30.417 -5.252 119 HG3 GLN 16 HG3 GLN 16 -18.359 30.287 -6.962 120 HE21 GLN 16 HE21 GLN 16 -20.700 31.654 -6.215 121 HE22 GLN 16 HE22 GLN 16 -22.054 30.739 -6.670 122 H MET 17 H MET 17 -14.400 27.864 -5.822 123 HA MET 17 HA MET 17 -14.687 25.053 -5.772 124 HB2 MET 17 HB2 MET 17 -12.403 24.955 -6.021 125 HB3 MET 17 HB3 MET 17 -12.682 26.615 -6.527 126 HG2 MET 17 HG2 MET 17 -12.342 27.216 -4.023 127 HG3 MET 17 HG3 MET 17 -11.614 25.615 -3.895 128 HE1 MET 17 HE1 MET 17 -10.339 29.307 -6.141 129 HE2 MET 17 HE2 MET 17 -11.937 28.795 -5.606 130 HE3 MET 17 HE3 MET 17 -11.294 28.196 -7.131 131 H LEU 18 H LEU 18 -14.119 27.404 -3.244 132 HA LEU 18 HA LEU 18 -13.283 25.688 -1.204 133 HB2 LEU 18 HB2 LEU 18 -14.530 27.543 0.239 134 HB3 LEU 18 HB3 LEU 18 -12.988 27.843 -0.550 135 HG LEU 18 HG LEU 18 -14.041 28.965 -2.390 136 HD11 LEU 18 HD11 LEU 18 -15.960 27.707 -2.892 137 HD12 LEU 18 HD12 LEU 18 -16.631 29.206 -2.263 138 HD13 LEU 18 HD13 LEU 18 -16.556 27.779 -1.234 139 HD21 LEU 18 HD21 LEU 18 -15.650 29.914 -0.022 140 HD22 LEU 18 HD22 LEU 18 -14.899 30.871 -1.300 141 HD23 LEU 18 HD23 LEU 18 -13.898 30.110 -0.064 142 H SER 19 H SER 19 -16.466 26.151 -2.568 143 HA SER 19 HA SER 19 -17.959 25.143 -0.344 144 HB2 SER 19 HB2 SER 19 -18.728 25.115 -3.271 145 HB3 SER 19 HB3 SER 19 -19.815 25.012 -1.890 146 HG SER 19 HG SER 19 -18.166 27.189 -2.667 147 H HIS 20 H HIS 20 -17.098 23.691 -3.483 148 HA HIS 20 HA HIS 20 -17.876 21.047 -2.802 149 HB2 HIS 20 HB2 HIS 20 -15.646 21.462 -4.741 150 HB3 HIS 20 HB3 HIS 20 -17.098 20.472 -4.893 151 HD2 HIS 20 HD2 HIS 20 -19.390 22.810 -4.557 152 HE1 HIS 20 HE1 HIS 20 -17.350 24.805 -7.666 153 HE2 HIS 20 HE2 HIS 20 -19.518 24.699 -6.352 154 H CYS 21 H CYS 21 -14.987 22.951 -2.513 155 HA CYS 21 HA CYS 21 -13.159 20.964 -1.736 156 HB2 CYS 21 HB2 CYS 21 -13.373 23.933 -1.437 157 HB3 CYS 21 HB3 CYS 21 -12.124 23.076 -0.532 158 H ARG 22 H ARG 22 -15.370 23.047 0.122 159 HA ARG 22 HA ARG 22 -14.614 22.256 2.707 160 HB2 ARG 22 HB2 ARG 22 -16.137 24.147 2.271 161 HB3 ARG 22 HB3 ARG 22 -17.370 23.024 1.700 162 HG2 ARG 22 HG2 ARG 22 -17.912 23.519 3.981 163 HG3 ARG 22 HG3 ARG 22 -17.232 21.893 3.975 164 HD2 ARG 22 HD2 ARG 22 -15.021 22.841 4.603 165 HD3 ARG 22 HD3 ARG 22 -15.746 24.444 4.667 166 HE ARG 22 HE ARG 22 -16.696 23.879 6.709 167 HH11 ARG 22 HH21 ARG 22 -15.569 21.050 5.053 168 HH12 ARG 22 HH22 ARG 22 -15.833 19.993 6.400 169 HH21 ARG 22 HH11 ARG 22 -17.041 22.496 8.472 170 HH22 ARG 22 HH12 ARG 22 -16.665 20.810 8.333 171 H MET 23 H MET 23 -17.091 20.935 0.504 172 HA MET 23 HA MET 23 -17.963 18.837 2.166 173 HB2 MET 23 HB2 MET 23 -17.731 18.938 -0.859 174 HB3 MET 23 HB3 MET 23 -18.607 17.698 0.036 175 HG2 MET 23 HG2 MET 23 -19.196 20.674 0.063 176 HG3 MET 23 HG3 MET 23 -20.168 19.429 -0.719 177 HE1 MET 23 HE1 MET 23 -21.062 17.484 0.328 178 HE2 MET 23 HE2 MET 23 -21.717 17.378 1.960 179 HE3 MET 23 HE3 MET 23 -20.022 16.993 1.672 180 H TYR 24 H TYR 24 -15.328 19.090 -0.166 181 HA TYR 24 HA TYR 24 -14.333 16.484 -0.023 182 HB2 TYR 24 HB2 TYR 24 -13.211 17.549 -1.677 183 HB3 TYR 24 HB3 TYR 24 -13.343 19.116 -0.896 184 HD1 TYR 24 HD2 TYR 24 -11.672 15.816 -0.210 185 HD2 TYR 24 HD1 TYR 24 -11.335 20.098 -0.276 186 HE1 TYR 24 HE2 TYR 24 -9.310 15.643 0.520 187 HE2 TYR 24 HE1 TYR 24 -8.972 19.923 0.449 188 HH TYR 24 HH TYR 24 -7.123 18.001 0.210 189 H MET 25 H MET 25 -13.776 19.296 2.083 190 HA MET 25 HA MET 25 -11.721 18.236 3.681 191 HB2 MET 25 HB2 MET 25 -13.990 20.073 4.465 192 HB3 MET 25 HB3 MET 25 -12.562 19.771 5.446 193 HG2 MET 25 HG2 MET 25 -12.453 20.850 2.619 194 HG3 MET 25 HG3 MET 25 -12.423 21.867 4.057 195 HE1 MET 25 HE1 MET 25 -10.383 20.071 6.160 196 HE2 MET 25 HE2 MET 25 -11.032 21.683 5.872 197 HE3 MET 25 HE3 MET 25 -9.293 21.414 5.792 198 H ARG 26 H ARG 26 -15.262 17.940 3.926 199 HA ARG 26 HA ARG 26 -15.308 16.463 6.342 200 HB2 ARG 26 HB2 ARG 26 -17.320 17.471 5.245 201 HB3 ARG 26 HB3 ARG 26 -17.234 16.210 4.014 202 HG2 ARG 26 HG2 ARG 26 -17.424 14.488 5.803 203 HG3 ARG 26 HG3 ARG 26 -17.603 15.776 6.994 204 HD2 ARG 26 HD2 ARG 26 -19.604 16.594 5.748 205 HD3 ARG 26 HD3 ARG 26 -19.452 15.221 4.655 206 HE ARG 26 HE ARG 26 -20.519 15.175 7.330 207 HH11 ARG 26 HH21 ARG 26 -18.857 13.359 4.887 208 HH12 ARG 26 HH22 ARG 26 -19.394 11.821 5.478 209 HH21 ARG 26 HH11 ARG 26 -21.219 13.162 8.100 210 HH22 ARG 26 HH12 ARG 26 -20.729 11.711 7.293 211 H GLN 27 H GLN 27 -15.221 15.419 2.946 212 HA GLN 27 HA GLN 27 -15.133 12.632 3.426 213 HB2 GLN 27 HB2 GLN 27 -14.560 14.419 1.129 214 HB3 GLN 27 HB3 GLN 27 -13.726 12.867 1.116 215 HG2 GLN 27 HG2 GLN 27 -15.801 12.494 -0.003 216 HG3 GLN 27 HG3 GLN 27 -15.984 11.788 1.602 217 HE21 GLN 27 HE21 GLN 27 -15.946 15.134 1.961 218 HE22 GLN 27 HE22 GLN 27 -17.635 15.404 1.952 219 H GLN 28 H GLN 28 -12.758 15.174 3.393 220 HA GLN 28 HA GLN 28 -10.444 13.585 3.346 221 HB2 GLN 28 HB2 GLN 28 -10.148 15.836 2.846 222 HB3 GLN 28 HB3 GLN 28 -11.114 16.367 4.211 223 HG2 GLN 28 HG2 GLN 28 -8.613 14.806 4.760 224 HG3 GLN 28 HG3 GLN 28 -8.452 16.486 4.266 225 HE21 GLN 28 HE21 GLN 28 -8.197 14.933 6.998 226 HE22 GLN 28 HE22 GLN 28 -9.057 15.932 8.066 227 H MET 29 H MET 29 -12.594 14.671 5.913 228 HA MET 29 HA MET 29 -11.014 13.846 8.124 229 HB2 MET 29 HB2 MET 29 -13.013 15.307 8.336 230 HB3 MET 29 HB3 MET 29 -14.037 13.949 7.877 231 HG2 MET 29 HG2 MET 29 -13.062 12.675 9.840 232 HG3 MET 29 HG3 MET 29 -12.305 14.183 10.348 233 HE1 MET 29 HE1 MET 29 -15.215 16.554 11.069 234 HE2 MET 29 HE2 MET 29 -14.235 16.404 9.613 235 HE3 MET 29 HE3 MET 29 -13.478 16.246 11.196 236 H GLU 30 H GLU 30 -13.752 12.262 6.457 237 HA GLU 30 HA GLU 30 -13.435 9.747 7.758 238 HB2 GLU 30 HB2 GLU 30 -14.778 10.485 5.148 239 HB3 GLU 30 HB3 GLU 30 -14.856 8.881 5.873 240 HG2 GLU 30 HG2 GLU 30 -16.756 9.764 6.820 241 HG3 GLU 30 HG3 GLU 30 -15.590 10.316 8.019 242 H GLU 31 H GLU 31 -11.975 11.210 4.973 243 HA GLU 31 HA GLU 31 -10.996 8.968 3.620 244 HB2 GLU 31 HB2 GLU 31 -11.006 11.143 2.581 245 HB3 GLU 31 HB3 GLU 31 -9.914 11.781 3.806 246 HG2 GLU 31 HG2 GLU 31 -8.145 10.294 3.058 247 HG3 GLU 31 HG3 GLU 31 -9.218 9.541 1.892 248 H SER 32 H SER 32 -10.124 10.043 6.701 249 HA SER 32 HA SER 32 -7.434 9.781 6.983 250 HB2 SER 32 HB2 SER 32 -7.821 8.972 9.228 251 HB3 SER 32 HB3 SER 32 -9.084 10.135 8.829 252 HG SER 32 HG SER 32 -9.263 7.302 8.671 253 H THR 33 H THR 33 -9.706 7.183 6.321 254 HA THR 33 HA THR 33 -7.916 5.023 6.797 255 HB THR 33 HB THR 33 -9.575 3.668 5.595 256 HG1 THR 33 HG1 THR 33 -11.340 4.719 4.659 257 HG21 THR 33 HG21 THR 33 -10.903 5.749 7.353 258 HG22 THR 33 HG22 THR 33 -9.957 4.392 7.964 259 HG23 THR 33 HG23 THR 33 -11.451 4.096 7.074 260 H TYR 34 H TYR 34 -9.054 6.462 3.728 261 HA TYR 34 HA TYR 34 -6.880 5.103 2.315 262 HB2 TYR 34 HB2 TYR 34 -8.094 5.365 0.313 263 HB3 TYR 34 HB3 TYR 34 -9.265 4.895 1.536 264 HD1 TYR 34 HD2 TYR 34 -10.878 6.544 2.439 265 HD2 TYR 34 HD1 TYR 34 -8.134 7.563 -0.707 266 HE1 TYR 34 HE2 TYR 34 -12.236 8.548 1.898 267 HE2 TYR 34 HE1 TYR 34 -9.495 9.562 -1.248 268 HH TYR 34 HH TYR 34 -11.275 11.064 0.371 269 H GLN 35 H GLN 35 -6.890 7.873 3.875 270 HA GLN 35 HA GLN 35 -6.452 10.073 2.480 271 HB2 GLN 35 HB2 GLN 35 -4.512 10.661 3.858 272 HB3 GLN 35 HB3 GLN 35 -5.873 10.027 4.786 273 HG2 GLN 35 HG2 GLN 35 -4.409 7.748 4.140 274 HG3 GLN 35 HG3 GLN 35 -3.167 8.952 4.478 275 HE21 GLN 35 HE21 GLN 35 -5.418 10.260 6.283 276 HE22 GLN 35 HE22 GLN 35 -5.316 9.360 7.703 277 H THR 36 H THR 36 -4.347 7.252 2.125 278 HA THR 36 HA THR 36 -2.236 8.525 0.761 279 HB THR 36 HB THR 36 -3.332 5.751 0.202 280 HG1 THR 36 HG1 THR 36 -2.840 6.260 2.447 281 HG21 THR 36 HG21 THR 36 -0.606 7.025 -0.165 282 HG22 THR 36 HG22 THR 36 -1.692 6.475 -1.441 283 HG23 THR 36 HG23 THR 36 -0.933 5.303 -0.364 284 H MET 37 H MET 37 -2.593 9.894 -0.848 285 HA MET 37 HA MET 37 -4.845 10.036 -2.475 286 HB2 MET 37 HB2 MET 37 -2.243 10.943 -3.613 287 HB3 MET 37 HB3 MET 37 -3.793 11.781 -3.530 288 HG2 MET 37 HG2 MET 37 -3.400 11.841 -0.966 289 HG3 MET 37 HG3 MET 37 -1.726 11.441 -1.357 290 HE1 MET 37 HE1 MET 37 -0.192 14.389 -2.962 291 HE2 MET 37 HE2 MET 37 -0.535 12.740 -3.478 292 HE3 MET 37 HE3 MET 37 -0.005 13.046 -1.827 293 HA PRO 38 HA PRO 38 -3.741 6.712 -5.319 294 HB2 PRO 38 HB2 PRO 38 -6.216 5.854 -5.791 295 HB3 PRO 38 HB3 PRO 38 -5.491 5.626 -4.184 296 HG2 PRO 38 HG2 PRO 38 -7.524 7.594 -5.081 297 HG3 PRO 38 HG3 PRO 38 -7.357 6.768 -3.523 298 HD2 PRO 38 HD2 PRO 38 -6.458 9.401 -4.154 299 HD3 PRO 38 HD3 PRO 38 -6.109 8.484 -2.670 300 H ARG 39 H ARG 39 -3.248 7.168 -7.406 301 HA ARG 39 HA ARG 39 -4.327 9.351 -8.867 302 HB2 ARG 39 HB2 ARG 39 -3.000 6.901 -10.031 303 HB3 ARG 39 HB3 ARG 39 -3.098 8.505 -10.752 304 HG2 ARG 39 HG2 ARG 39 -1.767 9.421 -8.849 305 HG3 ARG 39 HG3 ARG 39 -1.581 7.781 -8.227 306 HD2 ARG 39 HD2 ARG 39 0.397 8.296 -9.511 307 HD3 ARG 39 HD3 ARG 39 -0.556 7.140 -10.436 308 HE ARG 39 HE ARG 39 -0.882 8.776 -12.050 309 HH11 ARG 39 HH21 ARG 39 0.248 10.183 -9.090 310 HH12 ARG 39 HH22 ARG 39 0.471 11.761 -9.768 311 HH21 ARG 39 HH11 ARG 39 -0.594 10.842 -12.937 312 HH22 ARG 39 HH12 ARG 39 -0.006 12.133 -11.944 313 H ARG 40 H ARG 40 -5.008 5.911 -8.736 314 HA ARG 40 HA ARG 40 -6.711 5.721 -10.959 315 HB2 ARG 40 HB2 ARG 40 -6.660 4.112 -8.395 316 HB3 ARG 40 HB3 ARG 40 -7.563 3.665 -9.844 317 HG2 ARG 40 HG2 ARG 40 -5.427 3.689 -11.137 318 HG3 ARG 40 HG3 ARG 40 -4.556 4.014 -9.638 319 HD2 ARG 40 HD2 ARG 40 -5.571 1.908 -8.690 320 HD3 ARG 40 HD3 ARG 40 -6.206 1.559 -10.296 321 HE ARG 40 HE ARG 40 -3.470 1.269 -9.426 322 HH11 ARG 40 HH21 ARG 40 -5.576 1.868 -12.114 323 HH12 ARG 40 HH22 ARG 40 -4.462 1.259 -13.294 324 HH21 ARG 40 HH11 ARG 40 -2.014 0.474 -10.970 325 HH22 ARG 40 HH12 ARG 40 -2.448 0.471 -12.646 326 H GLY 41 H GLY 41 -8.250 7.193 -11.168 327 HA2 GLY 41 HA2 GLY 41 -10.300 8.211 -10.880 328 HA3 GLY 41 HA3 GLY 41 -10.684 6.922 -9.746 329 H MET 42 H MET 42 -9.276 10.117 -10.096 330 HA MET 42 HA MET 42 -8.522 10.669 -7.463 331 HB2 MET 42 HB2 MET 42 -9.705 12.524 -9.544 332 HB3 MET 42 HB3 MET 42 -8.885 13.049 -8.075 333 HG2 MET 42 HG2 MET 42 -6.850 11.804 -8.809 334 HG3 MET 42 HG3 MET 42 -7.673 11.404 -10.316 335 HE1 MET 42 HE1 MET 42 -8.194 14.592 -12.165 336 HE2 MET 42 HE2 MET 42 -9.331 14.354 -10.840 337 HE3 MET 42 HE3 MET 42 -8.763 12.966 -11.764 338 H GLU 43 H GLU 43 -9.680 12.265 -5.997 339 HA GLU 43 HA GLU 43 -12.186 11.161 -5.202 340 HB2 GLU 43 HB2 GLU 43 -10.348 13.263 -4.235 341 HB3 GLU 43 HB3 GLU 43 -12.046 13.508 -3.825 342 HG2 GLU 43 HG2 GLU 43 -12.182 11.393 -2.717 343 HG3 GLU 43 HG3 GLU 43 -10.630 10.872 -3.371 344 HA PRO 44 HA PRO 44 -14.833 13.422 -7.974 345 HB2 PRO 44 HB2 PRO 44 -16.874 13.082 -5.842 346 HB3 PRO 44 HB3 PRO 44 -16.920 12.576 -7.540 347 HG2 PRO 44 HG2 PRO 44 -16.587 10.831 -5.536 348 HG3 PRO 44 HG3 PRO 44 -15.836 10.609 -7.125 349 HD2 PRO 44 HD2 PRO 44 -14.582 11.464 -4.552 350 HD3 PRO 44 HD3 PRO 44 -13.887 10.531 -5.897 351 H HIS 45 H HIS 45 -15.127 14.149 -4.485 352 HA HIS 45 HA HIS 45 -16.241 16.686 -4.638 353 HB2 HIS 45 HB2 HIS 45 -14.179 15.681 -2.660 354 HB3 HIS 45 HB3 HIS 45 -15.227 17.084 -2.431 355 HD2 HIS 45 HD2 HIS 45 -17.927 16.469 -1.823 356 HE1 HIS 45 HE1 HIS 45 -17.443 12.276 -1.764 357 HE2 HIS 45 HE2 HIS 45 -19.046 14.178 -1.267 358 H MET 46 H MET 46 -12.837 15.730 -4.816 359 HA MET 46 HA MET 46 -11.739 18.337 -4.956 360 HB2 MET 46 HB2 MET 46 -10.685 15.695 -5.994 361 HB3 MET 46 HB3 MET 46 -9.744 17.182 -5.898 362 HG2 MET 46 HG2 MET 46 -10.157 17.258 -3.447 363 HG3 MET 46 HG3 MET 46 -11.020 15.723 -3.566 364 HE1 MET 46 HE1 MET 46 -9.660 15.047 -1.758 365 HE2 MET 46 HE2 MET 46 -8.200 16.024 -1.626 366 HE3 MET 46 HE3 MET 46 -8.069 14.287 -1.885 367 H SER 47 H SER 47 -13.075 16.164 -7.369 368 HA SER 47 HA SER 47 -12.058 17.247 -9.710 369 HB2 SER 47 HB2 SER 47 -14.879 16.226 -9.363 370 HB3 SER 47 HB3 SER 47 -13.927 16.255 -10.844 371 HG SER 47 HG SER 47 -13.303 14.821 -8.470 372 H GLU 48 H GLU 48 -14.939 18.313 -7.880 373 HA GLU 48 HA GLU 48 -15.705 20.303 -9.760 374 HB2 GLU 48 HB2 GLU 48 -16.288 20.039 -6.804 375 HB3 GLU 48 HB3 GLU 48 -17.013 21.263 -7.844 376 HG2 GLU 48 HG2 GLU 48 -18.616 19.568 -7.931 377 HG3 GLU 48 HG3 GLU 48 -17.651 19.227 -9.364 378 H CYS 49 H CYS 49 -13.603 20.349 -6.913 379 HA CYS 49 HA CYS 49 -13.179 23.159 -6.876 380 HB2 CYS 49 HB2 CYS 49 -11.687 20.801 -5.746 381 HB3 CYS 49 HB3 CYS 49 -11.014 22.425 -5.638 382 H CYS 50 H CYS 50 -11.463 20.458 -8.393 383 HA CYS 50 HA CYS 50 -9.212 21.731 -9.387 384 HB2 CYS 50 HB2 CYS 50 -9.713 19.277 -9.519 385 HB3 CYS 50 HB3 CYS 50 -10.818 19.634 -10.849 386 H GLU 51 H GLU 51 -12.404 21.432 -10.933 387 HA GLU 51 HA GLU 51 -11.770 22.705 -13.338 388 HB2 GLU 51 HB2 GLU 51 -13.878 21.430 -12.851 389 HB3 GLU 51 HB3 GLU 51 -14.441 22.822 -11.926 390 HG2 GLU 51 HG2 GLU 51 -15.337 22.981 -14.180 391 HG3 GLU 51 HG3 GLU 51 -14.130 24.246 -13.964 392 H GLN 52 H GLN 52 -12.660 24.048 -10.202 393 HA GLN 52 HA GLN 52 -13.232 26.671 -10.981 394 HB2 GLN 52 HB2 GLN 52 -13.109 25.333 -8.587 395 HB3 GLN 52 HB3 GLN 52 -11.758 26.463 -8.453 396 HG2 GLN 52 HG2 GLN 52 -13.547 27.768 -7.690 397 HG3 GLN 52 HG3 GLN 52 -13.463 28.207 -9.393 398 HE21 GLN 52 HE21 GLN 52 -15.648 28.527 -9.941 399 HE22 GLN 52 HE22 GLN 52 -16.864 27.366 -9.702 400 H LEU 53 H LEU 53 -10.090 25.431 -9.754 401 HA LEU 53 HA LEU 53 -8.568 27.751 -10.232 402 HB2 LEU 53 HB2 LEU 53 -7.521 24.948 -10.668 403 HB3 LEU 53 HB3 LEU 53 -6.628 26.353 -10.124 404 HG LEU 53 HG LEU 53 -6.915 25.328 -8.092 405 HD11 LEU 53 HD11 LEU 53 -8.420 27.495 -8.262 406 HD12 LEU 53 HD12 LEU 53 -8.508 26.464 -6.837 407 HD13 LEU 53 HD13 LEU 53 -9.741 26.340 -8.088 408 HD21 LEU 53 HD21 LEU 53 -9.243 24.058 -9.479 409 HD22 LEU 53 HD22 LEU 53 -9.189 24.021 -7.719 410 HD23 LEU 53 HD23 LEU 53 -7.884 23.301 -8.657 411 H GLU 54 H GLU 54 -9.058 24.874 -12.114 412 HA GLU 54 HA GLU 54 -7.661 25.429 -14.414 413 HB2 GLU 54 HB2 GLU 54 -8.461 23.271 -14.004 414 HB3 GLU 54 HB3 GLU 54 -10.122 23.811 -13.790 415 HG2 GLU 54 HG2 GLU 54 -10.134 24.493 -16.223 416 HG3 GLU 54 HG3 GLU 54 -8.531 23.779 -16.384 417 H GLY 55 H GLY 55 -10.784 26.637 -13.374 418 HA2 GLY 55 HA2 GLY 55 -11.279 27.895 -15.986 419 HA3 GLY 55 HA3 GLY 55 -12.414 27.813 -14.640 420 H MET 56 H MET 56 -9.798 28.591 -13.031 421 HA MET 56 HA MET 56 -10.404 31.438 -12.986 422 HB2 MET 56 HB2 MET 56 -10.131 30.221 -10.873 423 HB3 MET 56 HB3 MET 56 -8.493 29.765 -11.332 424 HG2 MET 56 HG2 MET 56 -8.317 31.669 -9.869 425 HG3 MET 56 HG3 MET 56 -7.950 32.233 -11.497 426 HE1 MET 56 HE1 MET 56 -10.253 34.546 -8.888 427 HE2 MET 56 HE2 MET 56 -8.701 33.711 -8.899 428 HE3 MET 56 HE3 MET 56 -10.145 32.862 -8.355 429 H ASP 57 H ASP 57 -9.086 33.074 -13.676 430 HA ASP 57 HA ASP 57 -7.212 32.671 -15.699 431 HB2 ASP 57 HB2 ASP 57 -7.480 34.983 -13.764 432 HB3 ASP 57 HB3 ASP 57 -6.471 35.013 -15.206 433 H GLU 58 H GLU 58 -4.941 32.661 -15.756 434 HA GLU 58 HA GLU 58 -3.614 31.163 -13.843 435 HB2 GLU 58 HB2 GLU 58 -2.608 31.332 -15.971 436 HB3 GLU 58 HB3 GLU 58 -2.592 33.097 -15.916 437 HG2 GLU 58 HG2 GLU 58 -0.999 33.016 -14.023 438 HG3 GLU 58 HG3 GLU 58 -0.991 31.258 -14.113 439 H SER 59 H SER 59 -3.198 34.689 -14.321 440 HA SER 59 HA SER 59 -1.575 35.125 -12.090 441 HB2 SER 59 HB2 SER 59 -3.582 37.038 -13.302 442 HB3 SER 59 HB3 SER 59 -2.215 37.477 -12.282 443 HG SER 59 HG SER 59 -0.847 36.590 -13.880 444 H CYS 60 H CYS 60 -5.061 35.022 -12.405 445 HA CYS 60 HA CYS 60 -5.612 35.886 -9.719 446 HB2 CYS 60 HB2 CYS 60 -7.415 34.388 -11.632 447 HB3 CYS 60 HB3 CYS 60 -7.912 35.324 -10.222 448 H ARG 61 H ARG 61 -4.941 32.856 -11.274 449 HA ARG 61 HA ARG 61 -6.089 31.112 -9.375 450 HB2 ARG 61 HB2 ARG 61 -5.323 30.494 -11.687 451 HB3 ARG 61 HB3 ARG 61 -3.665 30.567 -11.094 452 HG2 ARG 61 HG2 ARG 61 -4.247 28.872 -9.356 453 HG3 ARG 61 HG3 ARG 61 -5.862 28.750 -10.056 454 HD2 ARG 61 HD2 ARG 61 -3.242 28.116 -11.444 455 HD3 ARG 61 HD3 ARG 61 -4.468 26.959 -10.939 456 HE ARG 61 HE ARG 61 -5.112 29.059 -12.921 457 HH11 ARG 61 HH21 ARG 61 -4.856 25.721 -11.982 458 HH12 ARG 61 HH22 ARG 61 -5.679 25.134 -13.385 459 HH21 ARG 61 HH11 ARG 61 -6.179 28.281 -14.746 460 HH22 ARG 61 HH12 ARG 61 -6.424 26.579 -14.949 461 H CYS 62 H CYS 62 -2.823 32.525 -9.615 462 HA CYS 62 HA CYS 62 -1.589 31.075 -7.573 463 HB2 CYS 62 HB2 CYS 62 -0.964 33.982 -7.747 464 HB3 CYS 62 HB3 CYS 62 0.123 32.597 -7.724 465 H GLU 63 H GLU 63 -3.074 34.300 -7.300 466 HA GLU 63 HA GLU 63 -2.997 34.485 -4.498 467 HB2 GLU 63 HB2 GLU 63 -3.377 36.394 -6.035 468 HB3 GLU 63 HB3 GLU 63 -4.980 35.757 -6.400 469 HG2 GLU 63 HG2 GLU 63 -5.556 35.921 -3.978 470 HG3 GLU 63 HG3 GLU 63 -3.976 36.638 -3.673 471 H GLY 64 H GLY 64 -5.435 33.169 -6.684 472 HA2 GLY 64 HA2 GLY 64 -7.574 32.876 -4.933 473 HA3 GLY 64 HA3 GLY 64 -7.277 31.852 -6.330 474 H LEU 65 H LEU 65 -5.051 30.433 -5.675 475 HA LEU 65 HA LEU 65 -6.024 28.403 -4.037 476 HB2 LEU 65 HB2 LEU 65 -3.138 29.066 -4.664 477 HB3 LEU 65 HB3 LEU 65 -3.714 27.531 -4.009 478 HG LEU 65 HG LEU 65 -4.437 28.745 -6.692 479 HD11 LEU 65 HD11 LEU 65 -3.369 26.695 -7.568 480 HD12 LEU 65 HD12 LEU 65 -2.979 26.200 -5.921 481 HD13 LEU 65 HD13 LEU 65 -2.237 27.646 -6.607 482 HD21 LEU 65 HD21 LEU 65 -6.436 27.700 -5.993 483 HD22 LEU 65 HD22 LEU 65 -5.574 26.410 -5.155 484 HD23 LEU 65 HD23 LEU 65 -5.620 26.442 -6.917 485 H ARG 66 H ARG 66 -3.499 30.792 -3.173 486 HA ARG 66 HA ARG 66 -3.242 30.010 -0.492 487 HB2 ARG 66 HB2 ARG 66 -2.742 32.634 -1.895 488 HB3 ARG 66 HB3 ARG 66 -2.433 32.423 -0.173 489 HG2 ARG 66 HG2 ARG 66 -0.357 31.839 -1.017 490 HG3 ARG 66 HG3 ARG 66 -1.136 30.258 -1.016 491 HD2 ARG 66 HD2 ARG 66 -1.745 30.541 -3.381 492 HD3 ARG 66 HD3 ARG 66 -1.017 32.144 -3.389 493 HE ARG 66 HE ARG 66 0.875 30.191 -2.537 494 HH11 ARG 66 HH21 ARG 66 -0.806 31.395 -5.319 495 HH12 ARG 66 HH22 ARG 66 0.437 30.939 -6.434 496 HH21 ARG 66 HH11 ARG 66 2.503 29.594 -3.998 497 HH22 ARG 66 HH12 ARG 66 2.308 29.921 -5.687 498 H MET 67 H MET 67 -5.307 32.490 -1.968 499 HA MET 67 HA MET 67 -6.474 33.482 0.382 500 HB2 MET 67 HB2 MET 67 -6.915 34.831 -1.428 501 HB3 MET 67 HB3 MET 67 -7.211 33.470 -2.510 502 HG2 MET 67 HG2 MET 67 -9.369 33.062 -1.559 503 HG3 MET 67 HG3 MET 67 -9.066 34.170 -0.222 504 HE1 MET 67 HE1 MET 67 -8.618 36.431 -0.334 505 HE2 MET 67 HE2 MET 67 -9.348 37.590 -1.440 506 HE3 MET 67 HE3 MET 67 -7.776 36.893 -1.820 507 H MET 68 H MET 68 -7.693 30.987 -1.855 508 HA MET 68 HA MET 68 -10.076 30.426 -0.513 509 HB2 MET 68 HB2 MET 68 -8.304 28.784 -2.297 510 HB3 MET 68 HB3 MET 68 -9.770 28.108 -1.596 511 HG2 MET 68 HG2 MET 68 -9.570 29.628 -3.950 512 HG3 MET 68 HG3 MET 68 -11.051 29.144 -3.123 513 HE1 MET 68 HE1 MET 68 -12.808 31.025 -2.860 514 HE2 MET 68 HE2 MET 68 -12.461 32.059 -1.475 515 HE3 MET 68 HE3 MET 68 -12.183 30.323 -1.361 516 H MET 69 H MET 69 -6.862 28.938 -0.109 517 HA MET 69 HA MET 69 -7.468 26.885 1.624 518 HB2 MET 69 HB2 MET 69 -5.203 27.395 0.713 519 HB3 MET 69 HB3 MET 69 -5.072 28.718 1.870 520 HG2 MET 69 HG2 MET 69 -5.431 27.075 3.723 521 HG3 MET 69 HG3 MET 69 -5.415 25.778 2.528 522 HE1 MET 69 HE1 MET 69 -2.023 28.387 4.063 523 HE2 MET 69 HE2 MET 69 -3.755 28.489 4.372 524 HE3 MET 69 HE3 MET 69 -3.095 29.132 2.870 525 H ARG 70 H ARG 70 -6.546 30.187 2.606 526 HA ARG 70 HA ARG 70 -7.048 29.872 5.348 527 HB2 ARG 70 HB2 ARG 70 -5.777 31.756 4.327 528 HB3 ARG 70 HB3 ARG 70 -7.297 32.412 3.721 529 HG2 ARG 70 HG2 ARG 70 -8.154 32.635 6.001 530 HG3 ARG 70 HG3 ARG 70 -6.696 31.882 6.648 531 HD2 ARG 70 HD2 ARG 70 -6.456 34.273 6.883 532 HD3 ARG 70 HD3 ARG 70 -5.359 33.742 5.611 533 HE ARG 70 HE ARG 70 -7.851 34.492 4.477 534 HH11 ARG 70 HH21 ARG 70 -5.028 35.800 6.006 535 HH12 ARG 70 HH22 ARG 70 -5.130 37.325 5.191 536 HH21 ARG 70 HH11 ARG 70 -7.983 36.489 3.410 537 HH22 ARG 70 HH12 ARG 70 -6.800 37.714 3.724 538 H MET 71 H MET 71 -9.178 30.753 2.680 539 HA MET 71 HA MET 71 -11.388 31.623 4.195 540 HB2 MET 71 HB2 MET 71 -10.977 31.911 1.689 541 HB3 MET 71 HB3 MET 71 -11.559 30.257 1.510 542 HG2 MET 71 HG2 MET 71 -13.465 31.670 1.189 543 HG3 MET 71 HG3 MET 71 -13.636 30.979 2.801 544 HE1 MET 71 HE1 MET 71 -15.141 34.414 3.435 545 HE2 MET 71 HE2 MET 71 -15.363 32.674 3.274 546 HE3 MET 71 HE3 MET 71 -15.203 33.671 1.831 547 H MET 72 H MET 72 -10.300 28.441 3.168 548 HA MET 72 HA MET 72 -12.623 26.982 3.630 549 HB2 MET 72 HB2 MET 72 -9.777 26.080 4.135 550 HB3 MET 72 HB3 MET 72 -11.175 25.031 3.906 551 HG2 MET 72 HG2 MET 72 -11.477 26.238 1.643 552 HG3 MET 72 HG3 MET 72 -9.843 26.834 1.897 553 HE1 MET 72 HE1 MET 72 -12.195 23.966 1.553 554 HE2 MET 72 HE2 MET 72 -11.372 23.253 2.936 555 HE3 MET 72 HE3 MET 72 -11.213 22.509 1.349 556 H GLN 73 H GLN 73 -9.857 27.311 5.842 557 HA GLN 73 HA GLN 73 -11.093 26.159 8.080 558 HB2 GLN 73 HB2 GLN 73 -8.904 28.246 8.052 559 HB3 GLN 73 HB3 GLN 73 -9.274 27.141 9.372 560 HG2 GLN 73 HG2 GLN 73 -8.197 26.461 6.629 561 HG3 GLN 73 HG3 GLN 73 -7.431 26.175 8.190 562 HE21 GLN 73 HE21 GLN 73 -9.287 24.698 5.776 563 HE22 GLN 73 HE22 GLN 73 -9.860 23.382 6.677 564 H GLN 74 H GLN 74 -10.922 29.522 6.997 565 HA GLN 74 HA GLN 74 -12.052 30.715 9.268 566 HB2 GLN 74 HB2 GLN 74 -11.064 32.218 7.805 567 HB3 GLN 74 HB3 GLN 74 -11.844 31.512 6.391 568 HG2 GLN 74 HG2 GLN 74 -13.744 32.513 8.394 569 HG3 GLN 74 HG3 GLN 74 -12.712 33.775 7.719 570 HE21 GLN 74 HE21 GLN 74 -13.407 30.954 5.758 571 HE22 GLN 74 HE22 GLN 74 -14.489 31.718 4.709 572 H LYS 75 H LYS 75 -13.604 29.435 6.347 573 HA LYS 75 HA LYS 75 -16.224 30.249 6.919 574 HB2 LYS 75 HB2 LYS 75 -15.414 29.301 4.746 575 HB3 LYS 75 HB3 LYS 75 -15.389 27.709 5.500 576 HG2 LYS 75 HG2 LYS 75 -17.494 27.825 4.407 577 HG3 LYS 75 HG3 LYS 75 -17.853 28.135 6.105 578 HD2 LYS 75 HD2 LYS 75 -17.906 30.541 5.700 579 HD3 LYS 75 HD3 LYS 75 -17.418 30.298 4.022 580 HE2 LYS 75 HE2 LYS 75 -19.930 29.074 5.183 581 HE3 LYS 75 HE3 LYS 75 -19.914 30.655 4.401 582 HZ1 LYS 75 HZ1 LYS 75 -20.470 29.102 2.744 583 HZ2 LYS 75 HZ2 LYS 75 -19.237 28.029 3.209 584 HZ3 LYS 75 HZ3 LYS 75 -18.847 29.503 2.460 585 H GLU 76 H GLU 76 -14.477 27.311 7.814 586 HA GLU 76 HA GLU 76 -16.014 26.953 10.202 587 HB2 GLU 76 HB2 GLU 76 -17.620 26.121 8.447 588 HB3 GLU 76 HB3 GLU 76 -16.444 24.873 8.047 589 HG2 GLU 76 HG2 GLU 76 -18.023 23.914 9.604 590 HG3 GLU 76 HG3 GLU 76 -16.499 24.141 10.456 591 H MET 77 H MET 77 -13.677 27.086 10.748 592 HA MET 77 HA MET 77 -11.760 25.207 9.982 593 HB2 MET 77 HB2 MET 77 -11.327 27.299 11.289 594 HB3 MET 77 HB3 MET 77 -11.990 26.495 12.711 595 HG2 MET 77 HG2 MET 77 -10.279 24.673 12.389 596 HG3 MET 77 HG3 MET 77 -9.557 25.650 11.112 597 HE1 MET 77 HE1 MET 77 -8.630 27.870 11.308 598 HE2 MET 77 HE2 MET 77 -8.237 28.761 12.776 599 HE3 MET 77 HE3 MET 77 -9.909 28.670 12.231 600 H GLN 78 H GLN 78 -12.594 23.105 9.891 601 HA GLN 78 HA GLN 78 -14.022 21.772 11.901 602 HB2 GLN 78 HB2 GLN 78 -12.000 20.616 9.959 603 HB3 GLN 78 HB3 GLN 78 -13.199 19.693 10.864 604 HG2 GLN 78 HG2 GLN 78 -14.979 21.134 9.772 605 HG3 GLN 78 HG3 GLN 78 -13.713 21.771 8.725 606 HE21 GLN 78 HE21 GLN 78 -16.065 19.381 8.870 607 HE22 GLN 78 HE22 GLN 78 -15.398 18.288 7.756 608 HA PRO 79 HA PRO 79 -10.719 21.162 14.817 609 HB2 PRO 79 HB2 PRO 79 -11.918 19.541 16.568 610 HB3 PRO 79 HB3 PRO 79 -12.572 21.163 16.257 611 HG2 PRO 79 HG2 PRO 79 -13.540 18.523 15.317 612 HG3 PRO 79 HG3 PRO 79 -14.455 19.975 15.752 613 HD2 PRO 79 HD2 PRO 79 -13.729 19.151 13.124 614 HD3 PRO 79 HD3 PRO 79 -14.444 20.711 13.587 615 H ARG 80 H ARG 80 -9.001 20.083 14.075 616 HA ARG 80 HA ARG 80 -8.567 17.379 14.674 617 HB2 ARG 80 HB2 ARG 80 -9.769 17.873 12.075 618 HB3 ARG 80 HB3 ARG 80 -8.189 17.104 11.915 619 HG2 ARG 80 HG2 ARG 80 -8.926 15.144 12.788 620 HG3 ARG 80 HG3 ARG 80 -9.832 15.950 14.065 621 HD2 ARG 80 HD2 ARG 80 -11.306 14.707 12.495 622 HD3 ARG 80 HD3 ARG 80 -11.658 16.429 12.530 623 HE ARG 80 HE ARG 80 -10.273 14.997 10.350 624 HH11 ARG 80 HH21 ARG 80 -11.779 17.849 11.644 625 HH12 ARG 80 HH22 ARG 80 -11.925 18.624 10.103 626 HH21 ARG 80 HH11 ARG 80 -10.485 16.018 8.345 627 HH22 ARG 80 HH12 ARG 80 -11.199 17.593 8.244 628 H GLY 81 H GLY 81 -6.407 17.267 15.032 629 HA2 GLY 81 HA2 GLY 81 -4.725 19.386 13.916 630 HA3 GLY 81 HA3 GLY 81 -4.285 18.280 15.209 631 H GLU 82 H GLU 82 -3.985 15.983 14.555 632 HA GLU 82 HA GLU 82 -2.005 15.770 12.579 633 HB2 GLU 82 HB2 GLU 82 -3.618 13.641 13.988 634 HB3 GLU 82 HB3 GLU 82 -2.219 13.310 12.969 635 HG2 GLU 82 HG2 GLU 82 -1.292 13.422 15.131 636 HG3 GLU 82 HG3 GLU 82 -0.971 15.019 14.463 637 H GLN 83 H GLN 83 -5.460 14.927 12.429 638 HA GLN 83 HA GLN 83 -5.401 13.439 10.069 639 HB2 GLN 83 HB2 GLN 83 -7.353 13.724 11.639 640 HB3 GLN 83 HB3 GLN 83 -7.642 15.292 10.885 641 HG2 GLN 83 HG2 GLN 83 -9.047 13.711 9.746 642 HG3 GLN 83 HG3 GLN 83 -7.717 14.089 8.653 643 HE21 GLN 83 HE21 GLN 83 -6.688 12.288 7.780 644 HE22 GLN 83 HE22 GLN 83 -6.694 10.737 8.469 645 H MET 84 H MET 84 -6.488 16.840 10.265 646 HA MET 84 HA MET 84 -6.355 17.252 7.478 647 HB2 MET 84 HB2 MET 84 -6.506 19.129 9.817 648 HB3 MET 84 HB3 MET 84 -6.398 19.724 8.158 649 HG2 MET 84 HG2 MET 84 -8.383 18.270 7.585 650 HG3 MET 84 HG3 MET 84 -8.545 17.903 9.301 651 HE1 MET 84 HE1 MET 84 -8.790 19.582 11.120 652 HE2 MET 84 HE2 MET 84 -9.260 21.271 10.954 653 HE3 MET 84 HE3 MET 84 -7.610 20.783 10.581 654 H ARG 85 H ARG 85 -3.917 17.573 9.988 655 HA ARG 85 HA ARG 85 -2.083 19.255 8.763 656 HB2 ARG 85 HB2 ARG 85 -1.803 18.288 11.034 657 HB3 ARG 85 HB3 ARG 85 -1.426 16.728 10.302 658 HG2 ARG 85 HG2 ARG 85 0.489 17.775 9.113 659 HG3 ARG 85 HG3 ARG 85 0.127 19.305 9.913 660 HD2 ARG 85 HD2 ARG 85 0.418 18.162 12.120 661 HD3 ARG 85 HD3 ARG 85 0.913 16.706 11.261 662 HE ARG 85 HE ARG 85 2.506 19.067 11.701 663 HH11 ARG 85 HH21 ARG 85 1.904 16.371 9.604 664 HH12 ARG 85 HH22 ARG 85 3.510 16.345 8.956 665 HH21 ARG 85 HH11 ARG 85 4.607 19.033 10.851 666 HH22 ARG 85 HH12 ARG 85 5.038 17.852 9.659 667 H ARG 86 H ARG 86 -2.457 15.737 8.327 668 HA ARG 86 HA ARG 86 -0.391 15.394 6.437 669 HB2 ARG 86 HB2 ARG 86 -2.988 13.873 6.797 670 HB3 ARG 86 HB3 ARG 86 -1.645 13.340 5.785 671 HG2 ARG 86 HG2 ARG 86 -0.157 13.333 7.755 672 HG3 ARG 86 HG3 ARG 86 -1.497 13.866 8.770 673 HD2 ARG 86 HD2 ARG 86 -1.294 11.467 9.001 674 HD3 ARG 86 HD3 ARG 86 -2.758 11.808 8.083 675 HE ARG 86 HE ARG 86 -0.679 11.451 6.240 676 HH11 ARG 86 HH21 ARG 86 -2.392 9.667 8.668 677 HH12 ARG 86 HH22 ARG 86 -2.200 8.140 7.873 678 HH21 ARG 86 HH11 ARG 86 -0.426 9.453 5.200 679 HH22 ARG 86 HH12 ARG 86 -1.088 8.019 5.912 680 H MET 87 H MET 87 -3.788 16.256 6.124 681 HA MET 87 HA MET 87 -4.082 16.131 3.353 682 HB2 MET 87 HB2 MET 87 -5.908 16.483 5.055 683 HB3 MET 87 HB3 MET 87 -5.408 18.172 5.139 684 HG2 MET 87 HG2 MET 87 -5.601 17.637 2.394 685 HG3 MET 87 HG3 MET 87 -6.993 16.827 3.099 686 HE1 MET 87 HE1 MET 87 -7.819 19.713 5.657 687 HE2 MET 87 HE2 MET 87 -7.526 17.989 5.457 688 HE3 MET 87 HE3 MET 87 -8.994 18.706 4.801 689 H MET 88 H MET 88 -2.409 18.550 5.289 690 HA MET 88 HA MET 88 -2.549 20.800 3.729 691 HB2 MET 88 HB2 MET 88 -0.100 19.630 5.066 692 HB3 MET 88 HB3 MET 88 -0.151 21.247 4.365 693 HG2 MET 88 HG2 MET 88 -2.173 21.697 5.842 694 HG3 MET 88 HG3 MET 88 -1.807 20.184 6.665 695 HE1 MET 88 HE1 MET 88 0.431 19.608 7.716 696 HE2 MET 88 HE2 MET 88 1.748 20.726 8.055 697 HE3 MET 88 HE3 MET 88 1.448 20.206 6.399 698 H ARG 89 H ARG 89 -0.271 18.091 3.212 699 HA ARG 89 HA ARG 89 0.786 19.055 0.766 700 HB2 ARG 89 HB2 ARG 89 0.497 16.190 1.719 701 HB3 ARG 89 HB3 ARG 89 1.556 16.744 0.423 702 HG2 ARG 89 HG2 ARG 89 1.723 17.732 3.286 703 HG3 ARG 89 HG3 ARG 89 2.734 16.449 2.624 704 HD2 ARG 89 HD2 ARG 89 3.551 18.033 0.883 705 HD3 ARG 89 HD3 ARG 89 2.601 19.313 1.633 706 HE ARG 89 HE ARG 89 5.111 18.252 2.583 707 HH11 ARG 89 HH21 ARG 89 2.124 19.785 3.454 708 HH12 ARG 89 HH22 ARG 89 2.762 20.512 4.891 709 HH21 ARG 89 HH11 ARG 89 5.944 19.205 4.465 710 HH22 ARG 89 HH12 ARG 89 4.920 20.184 5.462 711 H LEU 90 H LEU 90 -1.924 16.960 1.572 712 HA LEU 90 HA LEU 90 -2.715 16.166 -0.995 713 HB2 LEU 90 HB2 LEU 90 -3.560 15.081 0.986 714 HB3 LEU 90 HB3 LEU 90 -4.272 16.583 1.557 715 HG LEU 90 HG LEU 90 -5.761 16.593 -0.453 716 HD11 LEU 90 HD11 LEU 90 -5.950 14.398 -1.657 717 HD12 LEU 90 HD12 LEU 90 -4.469 13.888 -0.848 718 HD13 LEU 90 HD13 LEU 90 -4.439 15.253 -1.965 719 HD21 LEU 90 HD21 LEU 90 -7.317 15.201 0.567 720 HD22 LEU 90 HD22 LEU 90 -6.166 15.402 1.886 721 HD23 LEU 90 HD23 LEU 90 -6.129 13.943 0.899 722 H ALA 91 H ALA 91 -3.676 18.989 0.945 723 HA ALA 91 HA ALA 91 -5.660 20.000 -0.746 724 HB1 ALA 91 HB1 ALA 91 -3.722 21.573 0.970 725 HB2 ALA 91 HB2 ALA 91 -5.220 20.837 1.543 726 HB3 ALA 91 HB3 ALA 91 -5.276 22.144 0.360 727 H GLU 92 H GLU 92 -2.220 20.920 -0.582 728 HA GLU 92 HA GLU 92 -2.209 22.653 -2.791 729 HB2 GLU 92 HB2 GLU 92 -0.408 22.395 -1.032 730 HB3 GLU 92 HB3 GLU 92 0.120 20.949 -1.888 731 HG2 GLU 92 HG2 GLU 92 -0.249 23.515 -3.412 732 HG3 GLU 92 HG3 GLU 92 1.208 23.288 -2.452 733 H ASN 93 H ASN 93 -2.083 19.166 -2.619 734 HA ASN 93 HA ASN 93 -1.024 18.696 -5.214 735 HB2 ASN 93 HB2 ASN 93 -1.151 17.034 -3.311 736 HB3 ASN 93 HB3 ASN 93 -2.870 16.867 -3.674 737 HD21 ASN 93 HD21 ASN 93 -3.356 15.256 -5.170 738 HD22 ASN 93 HD22 ASN 93 -2.266 14.627 -6.309 739 H ILE 94 H ILE 94 -4.312 19.177 -4.004 740 HA ILE 94 HA ILE 94 -5.777 18.276 -6.182 741 HB ILE 94 HB ILE 94 -6.306 20.535 -4.252 742 HG12 ILE 94 HG12 ILE 94 -7.762 17.911 -4.506 743 HG13 ILE 94 HG13 ILE 94 -6.233 17.999 -3.630 744 HG21 ILE 94 HG21 ILE 94 -7.598 21.132 -6.168 745 HG22 ILE 94 HG22 ILE 94 -8.709 20.271 -5.103 746 HG23 ILE 94 HG23 ILE 94 -8.014 19.450 -6.501 747 HD11 ILE 94 HD11 ILE 94 -7.268 19.951 -2.327 748 HD12 ILE 94 HD12 ILE 94 -7.917 18.348 -1.984 749 HD13 ILE 94 HD13 ILE 94 -8.812 19.456 -3.023 750 HA PRO 95 HA PRO 95 -5.467 22.605 -8.278 751 HB2 PRO 95 HB2 PRO 95 -3.496 24.296 -7.380 752 HB3 PRO 95 HB3 PRO 95 -5.167 24.321 -6.786 753 HG2 PRO 95 HG2 PRO 95 -2.742 23.113 -5.568 754 HG3 PRO 95 HG3 PRO 95 -4.085 23.974 -4.798 755 HD2 PRO 95 HD2 PRO 95 -3.879 21.257 -4.763 756 HD3 PRO 95 HD3 PRO 95 -5.439 22.105 -4.744 757 H SER 96 H SER 96 -2.602 20.898 -7.212 758 HA SER 96 HA SER 96 -0.791 21.723 -9.238 759 HB2 SER 96 HB2 SER 96 -0.902 19.051 -7.812 760 HB3 SER 96 HB3 SER 96 0.484 19.727 -8.661 761 HG SER 96 HG SER 96 -0.791 20.694 -6.318 762 H ARG 97 H ARG 97 -3.078 19.176 -8.859 763 HA ARG 97 HA ARG 97 -2.712 17.745 -11.211 764 HB2 ARG 97 HB2 ARG 97 -5.058 18.189 -9.385 765 HB3 ARG 97 HB3 ARG 97 -5.108 17.086 -10.733 766 HG2 ARG 97 HG2 ARG 97 -3.076 15.935 -9.824 767 HG3 ARG 97 HG3 ARG 97 -3.184 16.981 -8.410 768 HD2 ARG 97 HD2 ARG 97 -5.265 14.993 -9.345 769 HD3 ARG 97 HD3 ARG 97 -4.256 14.858 -7.908 770 HE ARG 97 HE ARG 97 -5.694 17.275 -7.762 771 HH11 ARG 97 HH21 ARG 97 -6.178 13.843 -7.707 772 HH12 ARG 97 HH22 ARG 97 -7.599 13.925 -6.721 773 HH21 ARG 97 HH11 ARG 97 -7.552 17.381 -6.475 774 HH22 ARG 97 HH12 ARG 97 -8.376 15.925 -6.028 775 H CYS 98 H CYS 98 -4.439 20.761 -10.622 776 HA CYS 98 HA CYS 98 -5.508 20.708 -13.363 777 HB2 CYS 98 HB2 CYS 98 -6.082 23.000 -11.571 778 HB3 CYS 98 HB3 CYS 98 -7.128 22.173 -12.717 779 H ASN 99 H ASN 99 -2.931 21.883 -11.499 780 HA ASN 99 HA ASN 99 -2.586 24.409 -12.575 781 HB2 ASN 99 HB2 ASN 99 -0.589 22.451 -11.523 782 HB3 ASN 99 HB3 ASN 99 -0.086 23.934 -12.352 783 HD21 ASN 99 HD21 ASN 99 -2.177 25.671 -11.509 784 HD22 ASN 99 HD22 ASN 99 -2.034 25.915 -9.835 785 H LEU 100 H LEU 100 -1.329 25.192 -14.106 786 HA LEU 100 HA LEU 100 -0.730 23.491 -16.423 787 HB2 LEU 100 HB2 LEU 100 -2.059 25.770 -17.399 788 HB3 LEU 100 HB3 LEU 100 -2.699 24.127 -17.333 789 HG LEU 100 HG LEU 100 -3.194 24.795 -14.771 790 HD11 LEU 100 HD11 LEU 100 -3.939 27.431 -15.702 791 HD12 LEU 100 HD12 LEU 100 -2.193 27.197 -15.772 792 HD13 LEU 100 HD13 LEU 100 -3.055 26.957 -14.254 793 HD21 LEU 100 HD21 LEU 100 -4.773 24.237 -16.753 794 HD22 LEU 100 HD22 LEU 100 -5.044 25.980 -16.789 795 HD23 LEU 100 HD23 LEU 100 -5.404 25.058 -15.328 796 H SER 101 H SER 101 0.992 24.203 -17.570 797 HA SER 101 HA SER 101 3.017 25.680 -16.689 798 HB2 SER 101 HB2 SER 101 3.547 26.266 -19.093 799 HB3 SER 101 HB3 SER 101 3.241 24.561 -18.778 800 HG SER 101 HG SER 101 1.022 25.031 -19.413 801 HA PRO 102 HA PRO 102 1.105 29.802 -16.620 802 HB2 PRO 102 HB2 PRO 102 2.071 30.289 -14.019 803 HB3 PRO 102 HB3 PRO 102 0.461 29.677 -14.429 804 HG2 PRO 102 HG2 PRO 102 2.476 28.290 -13.049 805 HG3 PRO 102 HG3 PRO 102 0.977 27.612 -13.700 806 HD2 PRO 102 HD2 PRO 102 3.726 27.572 -14.891 807 HD3 PRO 102 HD3 PRO 102 2.433 26.349 -14.974 808 H MET 103 H MET 103 2.145 31.713 -17.191 809 HA MET 103 HA MET 103 4.968 31.642 -17.644 810 HB2 MET 103 HB2 MET 103 3.303 32.906 -19.044 811 HB3 MET 103 HB3 MET 103 3.146 34.057 -17.718 812 HG2 MET 103 HG2 MET 103 4.779 35.028 -19.128 813 HG3 MET 103 HG3 MET 103 5.721 34.266 -17.848 814 HE1 MET 103 HE1 MET 103 8.244 33.349 -20.421 815 HE2 MET 103 HE2 MET 103 7.917 33.604 -18.708 816 HE3 MET 103 HE3 MET 103 7.509 34.863 -19.872 817 H ARG 104 H ARG 104 3.002 33.832 -15.597 818 HA ARG 104 HA ARG 104 5.021 33.714 -13.495 819 HB2 ARG 104 HB2 ARG 104 4.350 36.268 -14.969 820 HB3 ARG 104 HB3 ARG 104 5.115 36.241 -13.384 821 HG2 ARG 104 HG2 ARG 104 6.238 34.870 -15.847 822 HG3 ARG 104 HG3 ARG 104 6.754 36.448 -15.264 823 HD2 ARG 104 HD2 ARG 104 6.942 33.844 -13.723 824 HD3 ARG 104 HD3 ARG 104 8.283 34.703 -14.466 825 HE ARG 104 HE ARG 104 7.894 36.512 -12.856 826 HH11 ARG 104 HH21 ARG 104 6.353 33.453 -12.252 827 HH12 ARG 104 HH22 ARG 104 6.158 33.743 -10.558 828 HH21 ARG 104 HH11 ARG 104 7.628 36.876 -10.642 829 HH22 ARG 104 HH12 ARG 104 6.875 35.674 -9.650 830 H CYS 105 H CYS 105 4.306 34.574 -11.481 831 HA CYS 105 HA CYS 105 1.374 34.981 -11.317 832 HB2 CYS 105 HB2 CYS 105 3.273 33.443 -9.583 833 HB3 CYS 105 HB3 CYS 105 1.870 34.209 -8.837 834 HA PRO 106 HA PRO 106 3.222 38.896 -9.888 835 HB2 PRO 106 HB2 PRO 106 1.051 40.437 -10.554 836 HB3 PRO 106 HB3 PRO 106 2.379 40.053 -11.662 837 HG2 PRO 106 HG2 PRO 106 -0.355 38.968 -11.550 838 HG3 PRO 106 HG3 PRO 106 0.748 39.113 -12.925 839 HD2 PRO 106 HD2 PRO 106 0.191 36.746 -11.523 840 HD3 PRO 106 HD3 PRO 106 1.560 37.001 -12.624 841 H MET 107 H MET 107 1.012 36.933 -8.663 842 HA MET 107 HA MET 107 -0.470 38.677 -6.953 843 HB2 MET 107 HB2 MET 107 0.083 35.750 -6.930 844 HB3 MET 107 HB3 MET 107 -1.047 36.534 -5.819 845 HG2 MET 107 HG2 MET 107 -1.218 36.389 -8.838 846 HG3 MET 107 HG3 MET 107 -2.360 35.778 -7.656 847 HE1 MET 107 HE1 MET 107 -2.686 39.401 -9.913 848 HE2 MET 107 HE2 MET 107 -3.601 37.900 -10.014 849 HE3 MET 107 HE3 MET 107 -1.845 37.865 -10.152 850 H GLY 108 H GLY 108 0.782 39.893 -5.841 851 HA2 GLY 108 HA2 GLY 108 1.870 40.516 -3.903 852 HA3 GLY 108 HA3 GLY 108 1.997 38.823 -3.456 853 H GLY 109 H GLY 109 3.071 39.911 -6.572 854 HA2 GLY 109 HA2 GLY 109 5.142 39.782 -7.584 855 HA3 GLY 109 HA3 GLY 109 5.677 40.694 -6.178 856 H SER 110 H SER 110 4.899 37.340 -7.157 857 HA SER 110 HA SER 110 6.070 35.917 -5.127 858 HB2 SER 110 HB2 SER 110 4.920 35.095 -7.311 859 HB3 SER 110 HB3 SER 110 6.549 35.091 -7.979 860 HG SER 110 HG SER 110 6.448 33.142 -7.088 861 H ILE 111 H ILE 111 8.118 35.153 -4.631 862 HA ILE 111 HA ILE 111 10.305 36.923 -5.257 863 HB ILE 111 HB ILE 111 10.317 34.245 -3.830 864 HG12 ILE 111 HG12 ILE 111 10.265 37.062 -2.693 865 HG13 ILE 111 HG13 ILE 111 8.843 36.025 -2.822 866 HG21 ILE 111 HG21 ILE 111 12.439 35.181 -2.833 867 HG22 ILE 111 HG22 ILE 111 12.348 36.492 -4.009 868 HG23 ILE 111 HG23 ILE 111 12.554 34.829 -4.556 869 HD11 ILE 111 HD11 ILE 111 11.342 35.515 -1.189 870 HD12 ILE 111 HD12 ILE 111 10.104 34.292 -1.471 871 HD13 ILE 111 HD13 ILE 111 9.704 35.765 -0.589 872 H ALA 112 H ALA 112 9.245 33.791 -6.243 873 HA ALA 112 HA ALA 112 10.917 33.767 -8.605 874 HB1 ALA 112 HB1 ALA 112 10.901 31.486 -6.615 875 HB2 ALA 112 HB2 ALA 112 12.289 32.532 -6.914 876 HB3 ALA 112 HB3 ALA 112 11.687 31.478 -8.194 877 H GLY 113 H GLY 113 10.213 31.878 -9.936 878 HA2 GLY 113 HA2 GLY 113 8.017 31.657 -11.031 879 HA3 GLY 113 HA3 GLY 113 8.434 30.185 -10.157 880 H PHE 114 H PHE 114 7.003 29.497 -8.847 881 HA PHE 114 HA PHE 114 5.450 31.117 -7.073 882 HB2 PHE 114 HB2 PHE 114 3.236 30.100 -8.256 883 HB3 PHE 114 HB3 PHE 114 3.883 31.696 -8.641 884 HD1 PHE 114 HD2 PHE 114 4.182 28.093 -9.639 885 HD2 PHE 114 HD1 PHE 114 4.505 32.203 -10.851 886 HE1 PHE 114 HE2 PHE 114 4.590 27.373 -11.976 887 HE2 PHE 114 HE1 PHE 114 4.914 31.481 -13.187 888 HZ PHE 114 HZ PHE 114 4.957 29.066 -13.748
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