NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12952 | 1tuj | 5030 | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ILE 1 HA ILE 1 -2.751 14.678 9.444 2 HB ILE 1 HB ILE 1 -0.655 12.888 8.206 3 1HG1 ILE 1 1HG1 ILE 1 -0.483 15.252 7.538 4 2HG1 ILE 1 2HG1 ILE 1 -0.995 14.237 6.195 5 1HG2 ILE 1 1HG2 ILE 1 -2.428 12.256 6.612 6 2HG2 ILE 1 2HG2 ILE 1 -3.593 13.153 7.586 7 3HG2 ILE 1 3HG2 ILE 1 -2.780 11.742 8.263 8 1HD1 ILE 1 1HD1 ILE 1 -2.784 15.983 7.871 9 2HD1 ILE 1 2HD1 ILE 1 -3.300 14.966 6.526 10 3HD1 ILE 1 3HD1 ILE 1 -2.219 16.329 6.238 11 H ASP 2 H ASP 2 -3.963 13.744 10.951 12 HA ASP 2 HA ASP 2 -3.141 11.788 12.774 13 1HB ASP 2 1HB ASP 2 -5.969 12.277 11.823 14 2HB ASP 2 2HB ASP 2 -5.477 11.556 13.353 15 H GLN 3 H GLN 3 -3.341 9.579 12.852 16 HA GLN 3 HA GLN 3 -3.056 8.112 10.509 17 1HB GLN 3 1HB GLN 3 -3.262 6.145 11.857 18 2HB GLN 3 2HB GLN 3 -2.436 7.360 12.822 19 1HG GLN 3 1HG GLN 3 -4.457 7.824 14.048 20 2HG GLN 3 2HG GLN 3 -5.368 6.717 13.021 21 1HE2 GLN 3 1HE2 GLN 3 -6.000 5.404 14.696 22 2HE2 GLN 3 2HE2 GLN 3 -4.907 4.369 15.543 23 H ASP 4 H ASP 4 -5.875 8.968 12.354 24 HA ASP 4 HA ASP 4 -7.770 7.289 11.201 25 1HB ASP 4 1HB ASP 4 -8.105 10.096 12.270 26 2HB ASP 4 2HB ASP 4 -9.434 8.998 11.912 27 H THR 5 H THR 5 -6.230 10.130 9.967 28 HA THR 5 HA THR 5 -8.151 10.464 7.804 29 HB THR 5 HB THR 5 -5.546 11.938 8.235 30 HG1 THR 5 1HG THR 5 -7.286 12.083 9.940 31 1HG2 THR 5 1HG2 THR 5 -6.451 12.092 5.962 32 2HG2 THR 5 2HG2 THR 5 -6.570 13.639 6.801 33 3HG2 THR 5 3HG2 THR 5 -8.001 12.625 6.612 34 H VAL 6 H VAL 6 -5.148 8.961 8.470 35 HA VAL 6 HA VAL 6 -4.173 8.778 5.801 36 HB VAL 6 HB VAL 6 -3.520 7.027 8.173 37 1HG1 VAL 6 1HG1 VAL 6 -2.864 6.103 5.991 38 2HG1 VAL 6 2HG1 VAL 6 -1.475 6.514 6.996 39 3HG1 VAL 6 3HG1 VAL 6 -1.946 7.572 5.665 40 1HG2 VAL 6 1HG2 VAL 6 -3.131 9.377 8.683 41 2HG2 VAL 6 2HG2 VAL 6 -2.180 9.552 7.207 42 3HG2 VAL 6 3HG2 VAL 6 -1.603 8.513 8.511 43 H VAL 7 H VAL 7 -5.784 6.442 7.955 44 HA VAL 7 HA VAL 7 -5.976 4.438 5.933 45 HB VAL 7 HB VAL 7 -7.480 4.622 8.545 46 1HG1 VAL 7 1HG1 VAL 7 -8.490 3.046 7.000 47 2HG1 VAL 7 2HG1 VAL 7 -7.692 2.183 8.315 48 3HG1 VAL 7 3HG1 VAL 7 -6.925 2.279 6.729 49 1HG2 VAL 7 1HG2 VAL 7 -5.725 3.131 9.418 50 2HG2 VAL 7 2HG2 VAL 7 -5.087 4.703 8.934 51 3HG2 VAL 7 3HG2 VAL 7 -4.849 3.295 7.896 52 H ALA 8 H ALA 8 -8.051 7.028 7.046 53 HA ALA 8 HA ALA 8 -10.420 6.042 5.769 54 1HB ALA 8 1HB ALA 8 -11.380 8.220 6.303 55 2HB ALA 8 2HB ALA 8 -9.786 8.821 6.756 56 3HB ALA 8 3HB ALA 8 -10.544 7.538 7.698 57 H LYS 9 H LYS 9 -7.764 8.123 4.822 58 HA LYS 9 HA LYS 9 -9.090 9.080 2.453 59 1HB LYS 9 1HB LYS 9 -6.340 9.377 3.597 60 2HB LYS 9 2HB LYS 9 -6.631 9.802 1.917 61 1HG LYS 9 1HG LYS 9 -8.158 10.945 4.245 62 2HG LYS 9 2HG LYS 9 -6.768 11.718 3.480 63 1HD LYS 9 1HD LYS 9 -7.988 11.747 1.342 64 2HD LYS 9 2HD LYS 9 -9.383 11.022 2.143 65 1HE LYS 9 1HE LYS 9 -9.536 12.967 3.622 66 2HE LYS 9 2HE LYS 9 -8.147 13.690 2.813 67 1HZ LYS 9 1HZ LYS 9 -9.421 13.717 0.751 68 2HZ LYS 9 2HZ LYS 9 -10.210 14.596 1.964 69 3HZ LYS 9 3HZ LYS 9 -10.757 13.051 1.548 70 H TYR 10 H TYR 10 -6.279 6.942 3.009 71 HA TYR 10 HA TYR 10 -5.898 6.172 0.363 72 1HB TYR 10 1HB TYR 10 -5.239 4.917 2.997 73 2HB TYR 10 2HB TYR 10 -5.003 3.985 1.524 74 HD1 TYR 10 1HD TYR 10 -3.730 5.389 -0.395 75 HD2 TYR 10 2HD TYR 10 -3.412 6.073 3.793 76 HE1 TYR 10 1HE TYR 10 -1.547 6.466 -0.740 77 HE2 TYR 10 2HE TYR 10 -1.230 7.155 3.456 78 HH TYR 10 HH TYR 10 -0.091 8.092 0.409 79 H MET 11 H MET 11 -8.265 5.121 2.680 80 HA MET 11 HA MET 11 -9.033 2.781 1.182 81 1HB MET 11 1HB MET 11 -9.264 2.759 3.596 82 2HB MET 11 2HB MET 11 -10.312 4.170 3.544 83 1HG MET 11 1HG MET 11 -12.035 2.916 2.444 84 2HG MET 11 2HG MET 11 -10.977 1.514 2.296 85 1HE MET 11 1HE MET 11 -9.522 1.497 5.134 86 2HE MET 11 2HE MET 11 -10.163 0.055 4.345 87 3HE MET 11 3HE MET 11 -10.576 0.399 6.025 88 H GLU 12 H GLU 12 -10.629 5.868 1.984 89 HA GLU 12 HA GLU 12 -12.850 5.484 0.295 90 1HB GLU 12 1HB GLU 12 -12.744 7.119 2.165 91 2HB GLU 12 2HB GLU 12 -11.643 8.101 1.209 92 1HG GLU 12 1HG GLU 12 -13.389 8.384 -0.489 93 2HG GLU 12 2HG GLU 12 -14.490 7.427 0.500 94 H TYR 13 H TYR 13 -9.618 6.482 -0.343 95 HA TYR 13 HA TYR 13 -10.087 7.904 -2.760 96 1HB TYR 13 1HB TYR 13 -8.014 8.030 -1.310 97 2HB TYR 13 2HB TYR 13 -7.550 6.467 -1.970 98 HD1 TYR 13 1HD TYR 13 -8.161 10.012 -2.820 99 HD2 TYR 13 2HD TYR 13 -6.573 6.288 -4.130 100 HE1 TYR 13 1HE TYR 13 -7.114 11.139 -4.736 101 HE2 TYR 13 2HE TYR 13 -5.515 7.408 -6.047 102 HH TYR 13 HH TYR 13 -5.770 9.435 -7.365 103 H LEU 14 H LEU 14 -9.838 4.551 -1.942 104 HA LEU 14 HA LEU 14 -10.401 3.836 -4.711 105 1HB LEU 14 1HB LEU 14 -8.090 2.702 -3.138 106 2HB LEU 14 2HB LEU 14 -8.703 1.999 -4.622 107 HG LEU 14 HG LEU 14 -7.590 4.797 -4.428 108 1HD1 LEU 14 1HD1 LEU 14 -5.850 3.181 -3.911 109 2HD1 LEU 14 2HD1 LEU 14 -5.589 3.888 -5.506 110 3HD1 LEU 14 3HD1 LEU 14 -6.253 2.261 -5.360 111 1HD2 LEU 14 1HD2 LEU 14 -9.153 4.441 -6.272 112 2HD2 LEU 14 2HD2 LEU 14 -8.219 3.039 -6.797 113 3HD2 LEU 14 3HD2 LEU 14 -7.504 4.650 -6.862 114 H MET 15 H MET 15 -12.095 3.838 -2.445 115 HA MET 15 HA MET 15 -12.267 1.361 -1.148 116 1HB MET 15 1HB MET 15 -13.467 3.121 -0.167 117 2HB MET 15 2HB MET 15 -14.257 3.546 -1.679 118 1HG MET 15 1HG MET 15 -15.574 1.514 -1.582 119 2HG MET 15 2HG MET 15 -14.765 1.043 -0.090 120 1HE MET 15 1HE MET 15 -14.537 3.690 1.547 121 2HE MET 15 2HE MET 15 -15.136 2.180 2.234 122 3HE MET 15 3HE MET 15 -16.043 3.676 2.464 123 HA PRO 16 HA PRO 16 -15.437 0.031 -4.540 124 1HB PRO 16 1HB PRO 16 -15.436 1.385 -6.887 125 2HB PRO 16 2HB PRO 16 -16.468 1.836 -5.525 126 1HG PRO 16 1HG PRO 16 -13.854 3.009 -6.391 127 2HG PRO 16 2HG PRO 16 -15.330 3.836 -5.860 128 1HD PRO 16 1HD PRO 16 -13.205 3.457 -4.227 129 2HD PRO 16 2HD PRO 16 -14.876 3.483 -3.627 130 H ASP 17 H ASP 17 -12.205 0.719 -4.731 131 HA ASP 17 HA ASP 17 -11.783 -1.110 -6.997 132 1HB ASP 17 1HB ASP 17 -9.874 0.933 -5.844 133 2HB ASP 17 2HB ASP 17 -9.566 -0.098 -7.237 134 H ILE 18 H ILE 18 -11.526 -0.783 -3.631 135 HA ILE 18 HA ILE 18 -9.378 -2.729 -3.366 136 HB ILE 18 HB ILE 18 -10.937 -1.097 -1.381 137 1HG1 ILE 18 1HG1 ILE 18 -7.976 -1.379 -1.935 138 2HG1 ILE 18 2HG1 ILE 18 -9.001 -0.098 -2.571 139 1HG2 ILE 18 1HG2 ILE 18 -9.624 -2.186 0.415 140 2HG2 ILE 18 2HG2 ILE 18 -9.059 -3.375 -0.759 141 3HG2 ILE 18 3HG2 ILE 18 -10.774 -3.276 -0.359 142 1HD1 ILE 18 1HD1 ILE 18 -7.721 0.684 -0.675 143 2HD1 ILE 18 2HD1 ILE 18 -8.386 -0.606 0.329 144 3HD1 ILE 18 3HD1 ILE 18 -9.442 0.665 -0.287 145 H MET 19 H MET 19 -12.872 -2.579 -3.099 146 HA MET 19 HA MET 19 -13.246 -4.962 -1.669 147 1HB MET 19 1HB MET 19 -15.562 -4.913 -2.473 148 2HB MET 19 2HB MET 19 -15.032 -3.359 -1.854 149 1HG MET 19 1HG MET 19 -16.216 -2.786 -3.741 150 2HG MET 19 2HG MET 19 -14.554 -2.790 -4.320 151 1HE MET 19 1HE MET 19 -15.505 -2.859 -6.828 152 2HE MET 19 2HE MET 19 -17.152 -2.885 -6.202 153 3HE MET 19 3HE MET 19 -16.646 -4.075 -7.400 154 HA PRO 20 HA PRO 20 -13.522 -7.142 -6.011 155 1HB PRO 20 1HB PRO 20 -11.319 -5.870 -7.474 156 2HB PRO 20 2HB PRO 20 -12.965 -6.207 -8.009 157 1HG PRO 20 1HG PRO 20 -12.109 -3.704 -7.536 158 2HG PRO 20 2HG PRO 20 -13.778 -4.208 -7.220 159 1HD PRO 20 1HD PRO 20 -11.508 -3.869 -5.299 160 2HD PRO 20 2HD PRO 20 -13.206 -3.391 -5.129 161 H CYS 21 H CYS 21 -10.473 -5.832 -4.809 162 HA CYS 21 HA CYS 21 -8.823 -8.004 -5.480 163 1HB CYS 21 1HB CYS 21 -8.548 -5.996 -3.236 164 2HB CYS 21 2HB CYS 21 -7.272 -7.080 -3.783 165 H ALA 22 H ALA 22 -10.391 -7.217 -2.373 166 HA ALA 22 HA ALA 22 -9.549 -9.444 -0.936 167 1HB ALA 22 1HB ALA 22 -11.453 -9.030 0.531 168 2HB ALA 22 2HB ALA 22 -12.183 -7.994 -0.696 169 3HB ALA 22 3HB ALA 22 -10.671 -7.517 0.074 170 H ASP 23 H ASP 23 -12.185 -9.125 -3.237 171 HA ASP 23 HA ASP 23 -13.257 -11.740 -2.643 172 1HB ASP 23 1HB ASP 23 -14.761 -9.958 -3.377 173 2HB ASP 23 2HB ASP 23 -13.870 -9.802 -4.887 174 H GLU 24 H GLU 24 -10.764 -10.467 -4.545 175 HA GLU 24 HA GLU 24 -10.747 -12.162 -6.762 176 1HB GLU 24 1HB GLU 24 -9.336 -10.100 -6.376 177 2HB GLU 24 2HB GLU 24 -8.289 -11.100 -5.384 178 1HG GLU 24 1HG GLU 24 -7.844 -12.545 -7.298 179 2HG GLU 24 2HG GLU 24 -8.894 -11.542 -8.298 180 H LEU 25 H LEU 25 -8.927 -12.537 -3.678 181 HA LEU 25 HA LEU 25 -8.306 -15.287 -4.497 182 1HB LEU 25 1HB LEU 25 -7.396 -13.826 -2.021 183 2HB LEU 25 2HB LEU 25 -6.712 -15.292 -2.704 184 HG LEU 25 HG LEU 25 -6.611 -12.573 -4.014 185 1HD1 LEU 25 1HD1 LEU 25 -5.265 -12.656 -1.977 186 2HD1 LEU 25 2HD1 LEU 25 -4.248 -12.587 -3.416 187 3HD1 LEU 25 3HD1 LEU 25 -4.465 -14.115 -2.562 188 1HD2 LEU 25 1HD2 LEU 25 -5.011 -13.618 -5.528 189 2HD2 LEU 25 2HD2 LEU 25 -6.583 -14.415 -5.614 190 3HD2 LEU 25 3HD2 LEU 25 -5.257 -15.171 -4.728 191 H HIS 26 H HIS 26 -9.867 -13.544 -1.816 192 HA HIS 26 HA HIS 26 -11.809 -15.472 -1.330 193 1HB HIS 26 1HB HIS 26 -9.590 -16.682 -0.605 194 2HB HIS 26 2HB HIS 26 -9.758 -15.697 0.842 195 HD1 HIS 26 1HD HIS 26 -12.339 -15.948 1.930 196 HD2 HIS 26 2HD HIS 26 -10.829 -19.062 -0.366 197 HE1 HIS 26 1HE HIS 26 -13.694 -17.969 2.565 198 HE2 HIS 26 2HE HIS 26 -12.706 -19.859 1.224 199 H ILE 27 H ILE 27 -9.598 -13.720 0.784 200 HA ILE 27 HA ILE 27 -11.789 -11.996 1.734 201 HB ILE 27 HB ILE 27 -10.825 -12.204 4.030 202 1HG1 ILE 27 1HG1 ILE 27 -9.132 -14.281 2.624 203 2HG1 ILE 27 2HG1 ILE 27 -8.589 -12.882 3.543 204 1HG2 ILE 27 1HG2 ILE 27 -12.793 -13.513 3.325 205 2HG2 ILE 27 2HG2 ILE 27 -11.821 -14.365 4.524 206 3HG2 ILE 27 3HG2 ILE 27 -11.724 -14.822 2.824 207 1HD1 ILE 27 1HD1 ILE 27 -9.918 -15.335 4.669 208 2HD1 ILE 27 2HD1 ILE 27 -9.438 -13.916 5.599 209 3HD1 ILE 27 3HD1 ILE 27 -8.214 -14.901 4.798 210 H SER 28 H SER 28 -10.832 -10.179 3.131 211 HA SER 28 HA SER 28 -8.637 -8.966 1.673 212 1HB SER 28 1HB SER 28 -9.839 -7.656 4.073 213 2HB SER 28 2HB SER 28 -9.321 -6.944 2.543 214 HG SER 28 HG SER 28 -11.604 -6.977 2.765 215 H GLU 29 H GLU 29 -6.586 -8.923 2.356 216 HA GLU 29 HA GLU 29 -5.614 -10.494 4.403 217 1HB GLU 29 1HB GLU 29 -3.564 -8.928 4.248 218 2HB GLU 29 2HB GLU 29 -4.032 -9.856 2.830 219 1HG GLU 29 1HG GLU 29 -3.473 -7.627 2.169 220 2HG GLU 29 2HG GLU 29 -5.204 -7.876 1.956 221 H ASP 30 H ASP 30 -7.093 -7.408 4.619 222 HA ASP 30 HA ASP 30 -5.921 -6.586 7.093 223 1HB ASP 30 1HB ASP 30 -6.904 -4.956 5.548 224 2HB ASP 30 2HB ASP 30 -8.486 -5.702 5.754 225 H ILE 31 H ILE 31 -9.287 -7.511 6.370 226 HA ILE 31 HA ILE 31 -9.910 -8.044 9.100 227 HB ILE 31 HB ILE 31 -11.434 -9.058 6.697 228 1HG1 ILE 31 1HG1 ILE 31 -11.724 -6.366 8.053 229 2HG1 ILE 31 2HG1 ILE 31 -10.941 -6.618 6.497 230 1HG2 ILE 31 1HG2 ILE 31 -12.180 -9.976 8.801 231 2HG2 ILE 31 2HG2 ILE 31 -13.375 -8.820 8.214 232 3HG2 ILE 31 3HG2 ILE 31 -12.270 -8.365 9.512 233 1HD1 ILE 31 1HD1 ILE 31 -13.195 -5.806 6.195 234 2HD1 ILE 31 2HD1 ILE 31 -13.831 -7.151 7.142 235 3HD1 ILE 31 3HD1 ILE 31 -13.058 -7.455 5.587 236 H ALA 32 H ALA 32 -8.075 -9.723 6.913 237 HA ALA 32 HA ALA 32 -8.727 -12.368 7.060 238 1HB ALA 32 1HB ALA 32 -6.369 -12.875 6.776 239 2HB ALA 32 2HB ALA 32 -5.938 -11.250 7.307 240 3HB ALA 32 3HB ALA 32 -6.815 -11.480 5.794 241 H THR 33 H THR 33 -7.257 -10.364 9.511 242 HA THR 33 HA THR 33 -8.172 -11.858 11.682 243 HB THR 33 HB THR 33 -6.628 -13.595 11.239 244 HG1 THR 33 1HG THR 33 -5.542 -13.569 13.127 245 1HG2 THR 33 1HG2 THR 33 -5.215 -12.517 9.605 246 2HG2 THR 33 2HG2 THR 33 -4.206 -13.174 10.894 247 3HG2 THR 33 3HG2 THR 33 -4.548 -11.446 10.837 248 H ASN 34 H ASN 34 -8.295 -10.432 13.278 249 HA ASN 34 HA ASN 34 -7.619 -7.853 13.267 250 1HB ASN 34 1HB ASN 34 -7.397 -8.070 15.852 251 2HB ASN 34 2HB ASN 34 -8.926 -8.465 15.075 252 1HD2 ASN 34 1HD2 ASN 34 -9.480 -10.668 14.792 253 2HD2 ASN 34 2HD2 ASN 34 -8.796 -11.889 15.806 254 H ILE 35 H ILE 35 -5.617 -9.735 15.497 255 HA ILE 35 HA ILE 35 -3.225 -8.592 14.269 256 HB ILE 35 HB ILE 35 -2.342 -8.043 16.568 257 1HG1 ILE 35 1HG1 ILE 35 -5.272 -8.138 17.323 258 2HG1 ILE 35 2HG1 ILE 35 -4.096 -9.364 17.784 259 1HG2 ILE 35 1HG2 ILE 35 -4.703 -6.476 15.537 260 2HG2 ILE 35 2HG2 ILE 35 -3.027 -6.314 15.013 261 3HG2 ILE 35 3HG2 ILE 35 -3.485 -5.866 16.656 262 1HD1 ILE 35 1HD1 ILE 35 -4.513 -7.788 19.590 263 2HD1 ILE 35 2HD1 ILE 35 -3.994 -6.457 18.556 264 3HD1 ILE 35 3HD1 ILE 35 -2.840 -7.700 19.037 265 H GLN 36 H GLN 36 -3.723 -11.107 13.804 266 HA GLN 36 HA GLN 36 -1.921 -12.552 15.634 267 1HB GLN 36 1HB GLN 36 -4.409 -13.082 15.929 268 2HB GLN 36 2HB GLN 36 -4.307 -13.858 14.357 269 1HG GLN 36 1HG GLN 36 -2.255 -14.690 16.281 270 2HG GLN 36 2HG GLN 36 -3.908 -15.101 16.727 271 1HE2 GLN 36 1HE2 GLN 36 -4.775 -15.344 13.950 272 2HE2 GLN 36 2HE2 GLN 36 -4.122 -16.835 13.374 273 H ALA 37 H ALA 37 -1.902 -11.324 12.746 274 HA ALA 37 HA ALA 37 -1.312 -13.674 11.159 275 1HB ALA 37 1HB ALA 37 -2.445 -11.734 10.166 276 2HB ALA 37 2HB ALA 37 -0.953 -12.151 9.325 277 3HB ALA 37 3HB ALA 37 -0.991 -10.773 10.425 278 H ALA 38 H ALA 38 0.642 -10.697 11.430 279 HA ALA 38 HA ALA 38 2.894 -11.776 12.649 280 1HB ALA 38 1HB ALA 38 4.391 -12.195 10.738 281 2HB ALA 38 2HB ALA 38 3.021 -12.003 9.645 282 3HB ALA 38 3HB ALA 38 3.044 -13.332 10.803 283 H LYS 39 H LYS 39 3.018 -10.114 9.523 284 HA LYS 39 HA LYS 39 4.794 -8.146 10.224 285 1HB LYS 39 1HB LYS 39 2.995 -8.647 8.031 286 2HB LYS 39 2HB LYS 39 3.068 -6.925 8.378 287 1HG LYS 39 1HG LYS 39 4.709 -7.553 6.702 288 2HG LYS 39 2HG LYS 39 5.496 -6.973 8.170 289 1HD LYS 39 1HD LYS 39 5.839 -9.325 8.865 290 2HD LYS 39 2HD LYS 39 5.140 -9.852 7.331 291 1HE LYS 39 1HE LYS 39 6.914 -8.712 6.117 292 2HE LYS 39 2HE LYS 39 7.594 -8.123 7.632 293 1HZ LYS 39 1HZ LYS 39 8.025 -10.404 8.290 294 2HZ LYS 39 2HZ LYS 39 8.782 -10.064 6.816 295 3HZ LYS 39 3HZ LYS 39 7.358 -10.977 6.844 296 H ASN 40 H ASN 40 1.267 -7.610 9.985 297 HA ASN 40 HA ASN 40 1.554 -5.588 12.104 298 1HB ASN 40 1HB ASN 40 -0.305 -4.326 10.976 299 2HB ASN 40 2HB ASN 40 1.210 -4.360 10.079 300 1HD2 ASN 40 1HD2 ASN 40 1.359 -5.615 8.212 301 2HD2 ASN 40 2HD2 ASN 40 -0.047 -6.163 7.371 302 H GLY 41 H GLY 41 0.292 -8.497 11.325 303 1HA GLY 41 1HA GLY 41 -0.985 -9.719 12.934 304 2HA GLY 41 2HA GLY 41 -1.793 -8.223 13.375 305 H ALA 42 H ALA 42 -1.933 -7.751 10.307 306 HA ALA 42 HA ALA 42 -4.551 -8.974 9.994 307 1HB ALA 42 1HB ALA 42 -4.121 -6.600 9.392 308 2HB ALA 42 2HB ALA 42 -4.795 -7.556 8.075 309 3HB ALA 42 3HB ALA 42 -3.076 -7.163 8.087 310 H ASP 43 H ASP 43 -1.485 -8.916 8.187 311 HA ASP 43 HA ASP 43 -1.502 -11.651 7.586 312 1HB ASP 43 1HB ASP 43 -3.462 -10.696 6.154 313 2HB ASP 43 2HB ASP 43 -2.181 -10.074 5.122 314 H MET 44 H MET 44 0.018 -12.030 5.538 315 HA MET 44 HA MET 44 2.011 -9.954 5.173 316 1HB MET 44 1HB MET 44 3.108 -10.691 7.042 317 2HB MET 44 2HB MET 44 2.418 -12.305 6.948 318 1HG MET 44 1HG MET 44 3.963 -12.902 5.192 319 2HG MET 44 2HG MET 44 4.608 -11.264 5.166 320 1HE MET 44 1HE MET 44 6.267 -14.055 5.506 321 2HE MET 44 2HE MET 44 7.471 -13.556 6.695 322 3HE MET 44 3HE MET 44 7.047 -12.478 5.365 323 H SER 45 H SER 45 1.661 -13.501 4.870 324 HA SER 45 HA SER 45 3.066 -13.669 2.428 325 1HB SER 45 1HB SER 45 1.051 -15.577 3.637 326 2HB SER 45 2HB SER 45 2.120 -15.955 2.287 327 HG SER 45 HG SER 45 2.639 -16.148 4.868 328 H GLN 46 H GLN 46 -0.419 -13.672 3.148 329 HA GLN 46 HA GLN 46 -1.054 -13.539 0.320 330 1HB GLN 46 1HB GLN 46 -2.348 -14.772 2.262 331 2HB GLN 46 2HB GLN 46 -3.120 -13.201 2.439 332 1HG GLN 46 1HG GLN 46 -4.387 -14.715 1.000 333 2HG GLN 46 2HG GLN 46 -3.871 -13.264 0.149 334 1HE2 GLN 46 1HE2 GLN 46 -2.308 -13.427 -1.456 335 2HE2 GLN 46 2HE2 GLN 46 -1.852 -14.939 -2.157 336 H LEU 47 H LEU 47 -0.346 -11.383 2.811 337 HA LEU 47 HA LEU 47 -2.043 -9.217 2.027 338 1HB LEU 47 1HB LEU 47 -0.834 -9.630 4.288 339 2HB LEU 47 2HB LEU 47 0.552 -8.903 3.504 340 HG LEU 47 HG LEU 47 -2.073 -7.457 3.579 341 1HD1 LEU 47 1HD1 LEU 47 -1.614 -8.070 5.882 342 2HD1 LEU 47 2HD1 LEU 47 -1.339 -6.345 5.634 343 3HD1 LEU 47 3HD1 LEU 47 0.031 -7.451 5.735 344 1HD2 LEU 47 1HD2 LEU 47 -0.408 -6.536 2.115 345 2HD2 LEU 47 2HD2 LEU 47 0.811 -6.611 3.386 346 3HD2 LEU 47 3HD2 LEU 47 -0.549 -5.498 3.532 347 H GLY 48 H GLY 48 1.273 -10.190 1.353 348 1HA GLY 48 1HA GLY 48 2.031 -7.861 -0.056 349 2HA GLY 48 2HA GLY 48 2.803 -9.437 -0.176 350 H CYS 49 H CYS 49 -0.430 -9.816 -0.857 351 HA CYS 49 HA CYS 49 -0.088 -9.247 -3.706 352 1HB CYS 49 1HB CYS 49 -1.580 -11.558 -3.677 353 2HB CYS 49 2HB CYS 49 0.113 -11.419 -4.136 354 H LEU 50 H LEU 50 -2.514 -10.643 -1.495 355 HA LEU 50 HA LEU 50 -4.793 -9.844 -2.799 356 1HB LEU 50 1HB LEU 50 -4.604 -11.263 -0.713 357 2HB LEU 50 2HB LEU 50 -4.444 -9.782 0.201 358 HG LEU 50 HG LEU 50 -6.721 -10.798 0.256 359 1HD1 LEU 50 1HD1 LEU 50 -6.321 -8.395 0.685 360 2HD1 LEU 50 2HD1 LEU 50 -7.921 -8.741 0.031 361 3HD1 LEU 50 3HD1 LEU 50 -6.669 -8.071 -1.012 362 1HD2 LEU 50 1HD2 LEU 50 -6.748 -10.017 -2.654 363 2HD2 LEU 50 2HD2 LEU 50 -8.162 -10.501 -1.717 364 3HD2 LEU 50 3HD2 LEU 50 -6.853 -11.650 -1.994 365 H LYS 51 H LYS 51 -2.837 -8.003 -0.489 366 HA LYS 51 HA LYS 51 -4.453 -5.632 -0.859 367 1HB LYS 51 1HB LYS 51 -3.514 -5.968 1.335 368 2HB LYS 51 2HB LYS 51 -1.894 -6.124 0.679 369 1HG LYS 51 1HG LYS 51 -1.747 -3.837 0.200 370 2HG LYS 51 2HG LYS 51 -3.489 -3.605 0.366 371 1HD LYS 51 1HD LYS 51 -3.389 -3.855 2.719 372 2HD LYS 51 2HD LYS 51 -1.736 -4.466 2.654 373 1HE LYS 51 1HE LYS 51 -2.559 -1.683 1.843 374 2HE LYS 51 2HE LYS 51 -1.914 -2.107 3.428 375 1HZ LYS 51 1HZ LYS 51 -0.511 -2.412 0.828 376 2HZ LYS 51 2HZ LYS 51 0.108 -2.895 2.324 377 3HZ LYS 51 3HZ LYS 51 -0.174 -1.256 2.017 378 H ALA 52 H ALA 52 -1.702 -7.132 -2.310 379 HA ALA 52 HA ALA 52 -0.519 -4.721 -3.335 380 1HB ALA 52 1HB ALA 52 -0.136 -7.481 -4.465 381 2HB ALA 52 2HB ALA 52 0.667 -6.939 -2.992 382 3HB ALA 52 3HB ALA 52 0.974 -6.111 -4.517 383 H CYS 53 H CYS 53 -3.217 -6.604 -4.107 384 HA CYS 53 HA CYS 53 -3.363 -6.309 -6.902 385 1HB CYS 53 1HB CYS 53 -4.848 -7.891 -6.077 386 2HB CYS 53 2HB CYS 53 -5.332 -6.880 -4.720 387 H VAL 54 H VAL 54 -4.242 -4.225 -4.232 388 HA VAL 54 HA VAL 54 -5.745 -2.345 -5.745 389 HB VAL 54 HB VAL 54 -4.230 -1.764 -3.199 390 1HG1 VAL 54 1HG1 VAL 54 -6.054 -0.159 -2.819 391 2HG1 VAL 54 2HG1 VAL 54 -6.735 -0.582 -4.389 392 3HG1 VAL 54 3HG1 VAL 54 -5.153 0.192 -4.294 393 1HG2 VAL 54 1HG2 VAL 54 -6.230 -2.468 -1.979 394 2HG2 VAL 54 2HG2 VAL 54 -5.534 -3.805 -2.895 395 3HG2 VAL 54 3HG2 VAL 54 -6.976 -2.981 -3.492 396 H MET 55 H MET 55 -2.393 -2.957 -5.335 397 HA MET 55 HA MET 55 -1.440 -0.353 -6.045 398 1HB MET 55 1HB MET 55 0.031 -2.986 -6.223 399 2HB MET 55 2HB MET 55 0.740 -1.381 -6.151 400 1HG MET 55 1HG MET 55 -0.076 -1.099 -3.882 401 2HG MET 55 2HG MET 55 -0.850 -2.682 -3.954 402 1HE MET 55 1HE MET 55 1.212 -1.849 -1.598 403 2HE MET 55 2HE MET 55 2.066 -3.387 -1.473 404 3HE MET 55 3HE MET 55 0.322 -3.365 -1.731 405 H LYS 56 H LYS 56 -1.599 -3.473 -7.750 406 HA LYS 56 HA LYS 56 -0.733 -2.474 -10.245 407 1HB LYS 56 1HB LYS 56 -1.861 -4.617 -11.104 408 2HB LYS 56 2HB LYS 56 -0.518 -4.784 -9.981 409 1HG LYS 56 1HG LYS 56 -1.913 -5.381 -8.213 410 2HG LYS 56 2HG LYS 56 -3.349 -4.762 -9.024 411 1HD LYS 56 1HD LYS 56 -3.570 -7.053 -9.293 412 2HD LYS 56 2HD LYS 56 -2.815 -6.555 -10.808 413 1HE LYS 56 1HE LYS 56 -1.701 -8.525 -9.995 414 2HE LYS 56 2HE LYS 56 -0.610 -7.147 -9.851 415 1HZ LYS 56 1HZ LYS 56 -0.558 -8.533 -7.874 416 2HZ LYS 56 2HZ LYS 56 -2.218 -8.312 -7.643 417 3HZ LYS 56 3HZ LYS 56 -1.165 -6.997 -7.507 418 H ARG 57 H ARG 57 -3.670 -2.202 -8.577 419 HA ARG 57 HA ARG 57 -5.453 -2.027 -10.788 420 1HB ARG 57 1HB ARG 57 -6.168 -2.509 -8.461 421 2HB ARG 57 2HB ARG 57 -5.736 -0.867 -8.010 422 1HG ARG 57 1HG ARG 57 -8.037 -0.790 -8.304 423 2HG ARG 57 2HG ARG 57 -7.398 -0.131 -9.809 424 1HD ARG 57 1HD ARG 57 -8.094 -3.037 -9.506 425 2HD ARG 57 2HD ARG 57 -9.296 -1.838 -9.975 426 HE ARG 57 HE ARG 57 -6.835 -2.035 -11.547 427 1HH1 ARG 57 1HH1 ARG 57 -10.267 -2.574 -11.268 428 2HH1 ARG 57 2HH1 ARG 57 -10.497 -2.806 -12.968 429 1HH2 ARG 57 1HH2 ARG 57 -7.132 -2.340 -13.789 430 2HH2 ARG 57 2HH2 ARG 57 -8.719 -2.674 -14.399 431 H ILE 58 H ILE 58 -3.404 0.243 -9.086 432 HA ILE 58 HA ILE 58 -4.455 2.457 -10.702 433 HB ILE 58 HB ILE 58 -3.167 3.931 -9.192 434 1HG1 ILE 58 1HG1 ILE 58 -2.627 1.400 -7.623 435 2HG1 ILE 58 2HG1 ILE 58 -1.427 2.255 -8.587 436 1HG2 ILE 58 1HG2 ILE 58 -5.042 2.037 -7.783 437 2HG2 ILE 58 2HG2 ILE 58 -5.515 3.435 -8.748 438 3HG2 ILE 58 3HG2 ILE 58 -4.617 3.665 -7.248 439 1HD1 ILE 58 1HD1 ILE 58 -2.861 3.334 -6.172 440 2HD1 ILE 58 2HD1 ILE 58 -1.683 4.215 -7.146 441 3HD1 ILE 58 3HD1 ILE 58 -1.187 2.784 -6.241 442 H GLU 59 H GLU 59 -2.608 0.277 -11.612 443 HA GLU 59 HA GLU 59 -0.829 0.040 -12.998 444 1HB GLU 59 1HB GLU 59 -1.150 3.032 -13.236 445 2HB GLU 59 2HB GLU 59 -0.075 2.073 -14.244 446 1HG GLU 59 1HG GLU 59 -2.005 0.802 -15.065 447 2HG GLU 59 2HG GLU 59 -3.070 1.801 -14.077 448 H MET 60 H MET 60 -0.112 -0.112 -10.412 449 HA MET 60 HA MET 60 2.434 1.374 -10.302 450 1HB MET 60 1HB MET 60 0.703 1.928 -8.510 451 2HB MET 60 2HB MET 60 0.964 0.300 -7.896 452 1HG MET 60 1HG MET 60 3.510 1.186 -8.050 453 2HG MET 60 2HG MET 60 2.658 2.691 -7.706 454 1HE MET 60 1HE MET 60 4.132 -0.536 -6.307 455 2HE MET 60 2HE MET 60 2.490 -1.110 -6.599 456 3HE MET 60 3HE MET 60 3.087 -0.949 -4.947 457 H LEU 61 H LEU 61 0.870 -1.647 -10.367 458 HA LEU 61 HA LEU 61 3.428 -3.014 -9.919 459 1HB LEU 61 1HB LEU 61 2.238 -3.501 -7.958 460 2HB LEU 61 2HB LEU 61 0.721 -3.676 -8.810 461 HG LEU 61 HG LEU 61 1.526 -5.787 -9.801 462 1HD1 LEU 61 1HD1 LEU 61 3.568 -6.818 -8.915 463 2HD1 LEU 61 2HD1 LEU 61 3.934 -5.325 -8.052 464 3HD1 LEU 61 3HD1 LEU 61 3.904 -5.340 -9.815 465 1HD2 LEU 61 1HD2 LEU 61 1.467 -7.120 -7.739 466 2HD2 LEU 61 2HD2 LEU 61 0.231 -5.862 -7.751 467 3HD2 LEU 61 3HD2 LEU 61 1.697 -5.649 -6.793 468 H LYS 62 H LYS 62 4.006 -3.722 -11.876 469 HA LYS 62 HA LYS 62 1.935 -4.800 -13.659 470 1HB LYS 62 1HB LYS 62 4.751 -3.875 -14.256 471 2HB LYS 62 2HB LYS 62 3.642 -4.543 -15.446 472 1HG LYS 62 1HG LYS 62 2.751 -2.198 -13.854 473 2HG LYS 62 2HG LYS 62 3.939 -1.947 -15.133 474 1HD LYS 62 1HD LYS 62 1.856 -1.595 -16.162 475 2HD LYS 62 2HD LYS 62 2.336 -3.220 -16.651 476 1HE LYS 62 1HE LYS 62 0.885 -4.186 -14.963 477 2HE LYS 62 2HE LYS 62 0.459 -2.578 -14.379 478 1HZ LYS 62 1HZ LYS 62 -0.561 -2.106 -16.514 479 2HZ LYS 62 2HZ LYS 62 -1.250 -3.491 -15.828 480 3HZ LYS 62 3HZ LYS 62 -0.133 -3.640 -17.090 481 H GLY 63 H GLY 63 1.868 -6.782 -12.405 482 1HA GLY 63 1HA GLY 63 2.306 -9.051 -12.369 483 2HA GLY 63 2HA GLY 63 3.615 -8.777 -13.508 484 H THR 64 H THR 64 5.566 -7.671 -12.551 485 HA THR 64 HA THR 64 6.001 -8.381 -9.750 486 HB THR 64 HB THR 64 8.192 -9.349 -10.251 487 HG1 THR 64 1HG THR 64 8.244 -8.114 -12.378 488 1HG2 THR 64 1HG2 THR 64 7.451 -11.436 -11.291 489 2HG2 THR 64 2HG2 THR 64 5.989 -10.637 -11.871 490 3HG2 THR 64 3HG2 THR 64 6.252 -10.848 -10.138 491 H GLU 65 H GLU 65 5.831 -5.985 -11.791 492 HA GLU 65 HA GLU 65 8.332 -4.636 -11.132 493 1HB GLU 65 1HB GLU 65 6.036 -3.633 -12.809 494 2HB GLU 65 2HB GLU 65 7.660 -2.974 -12.736 495 1HG GLU 65 1HG GLU 65 6.912 -5.679 -13.819 496 2HG GLU 65 2HG GLU 65 7.301 -4.249 -14.776 497 H LEU 66 H LEU 66 8.278 -3.862 -9.086 498 HA LEU 66 HA LEU 66 5.871 -2.648 -8.039 499 1HB LEU 66 1HB LEU 66 6.775 -3.695 -6.267 500 2HB LEU 66 2HB LEU 66 8.371 -3.737 -6.985 501 HG LEU 66 HG LEU 66 8.722 -1.400 -6.260 502 1HD1 LEU 66 1HD1 LEU 66 6.332 -0.755 -6.152 503 2HD1 LEU 66 2HD1 LEU 66 7.207 -0.379 -4.668 504 3HD1 LEU 66 3HD1 LEU 66 6.145 -1.787 -4.734 505 1HD2 LEU 66 1HD2 LEU 66 9.557 -3.238 -4.922 506 2HD2 LEU 66 2HD2 LEU 66 8.008 -3.365 -4.090 507 3HD2 LEU 66 3HD2 LEU 66 9.007 -1.927 -3.880 508 H TYR 67 H TYR 67 5.411 -0.613 -8.489 509 HA TYR 67 HA TYR 67 7.606 1.286 -8.981 510 1HB TYR 67 1HB TYR 67 4.745 1.262 -9.946 511 2HB TYR 67 2HB TYR 67 5.811 2.650 -10.133 512 HD1 TYR 67 1HD TYR 67 4.726 -0.427 -11.557 513 HD2 TYR 67 2HD TYR 67 8.015 2.266 -11.412 514 HE1 TYR 67 1HE TYR 67 5.591 -1.379 -13.654 515 HE2 TYR 67 2HE TYR 67 8.888 1.323 -13.507 516 HH TYR 67 HH TYR 67 8.722 -0.771 -14.794 517 H VAL 68 H VAL 68 6.236 3.655 -8.728 518 HA VAL 68 HA VAL 68 4.825 3.793 -6.238 519 HB VAL 68 HB VAL 68 7.175 3.471 -5.475 520 1HG1 VAL 68 1HG1 VAL 68 8.323 4.606 -7.290 521 2HG1 VAL 68 2HG1 VAL 68 8.767 5.316 -5.737 522 3HG1 VAL 68 3HG1 VAL 68 7.623 6.147 -6.792 523 1HG2 VAL 68 1HG2 VAL 68 7.158 5.294 -3.850 524 2HG2 VAL 68 2HG2 VAL 68 5.541 4.626 -4.071 525 3HG2 VAL 68 3HG2 VAL 68 5.972 6.161 -4.825 526 H GLU 69 H GLU 69 5.992 5.148 -9.128 527 HA GLU 69 HA GLU 69 5.718 7.875 -8.764 528 1HB GLU 69 1HB GLU 69 5.043 6.255 -11.227 529 2HB GLU 69 2HB GLU 69 5.257 8.000 -11.195 530 1HG GLU 69 1HG GLU 69 7.571 7.737 -10.545 531 2HG GLU 69 2HG GLU 69 7.371 5.988 -10.458 532 HA PRO 70 HA PRO 70 0.980 7.487 -10.038 533 1HB PRO 70 1HB PRO 70 -0.077 5.079 -9.108 534 2HB PRO 70 2HB PRO 70 0.257 5.472 -10.796 535 1HG PRO 70 1HG PRO 70 1.885 3.899 -8.857 536 2HG PRO 70 2HG PRO 70 1.649 3.645 -10.595 537 1HD PRO 70 1HD PRO 70 3.912 4.709 -9.635 538 2HD PRO 70 2HD PRO 70 3.207 5.263 -11.170 539 H VAL 71 H VAL 71 2.437 5.950 -7.242 540 HA VAL 71 HA VAL 71 0.357 6.636 -5.408 541 HB VAL 71 HB VAL 71 3.240 6.046 -4.730 542 1HG1 VAL 71 1HG1 VAL 71 0.698 5.675 -3.150 543 2HG1 VAL 71 2HG1 VAL 71 1.883 6.958 -2.908 544 3HG1 VAL 71 3HG1 VAL 71 2.328 5.278 -2.607 545 1HG2 VAL 71 1HG2 VAL 71 2.543 3.695 -4.494 546 2HG2 VAL 71 2HG2 VAL 71 2.419 4.270 -6.156 547 3HG2 VAL 71 3HG2 VAL 71 0.968 4.112 -5.167 548 H TYR 72 H TYR 72 3.415 8.087 -6.380 549 HA TYR 72 HA TYR 72 3.562 10.120 -4.487 550 1HB TYR 72 1HB TYR 72 4.498 9.968 -7.351 551 2HB TYR 72 2HB TYR 72 4.833 11.352 -6.329 552 HD1 TYR 72 1HD TYR 72 6.930 9.598 -7.655 553 HD2 TYR 72 2HD TYR 72 5.105 9.417 -3.813 554 HE1 TYR 72 1HE TYR 72 8.913 8.446 -6.773 555 HE2 TYR 72 2HE TYR 72 7.086 8.268 -2.922 556 HH TYR 72 HH TYR 72 8.953 6.880 -3.783 557 H LYS 73 H LYS 73 1.438 9.681 -7.141 558 HA LYS 73 HA LYS 73 0.691 12.464 -7.334 559 1HB LYS 73 1HB LYS 73 -0.197 9.951 -8.717 560 2HB LYS 73 2HB LYS 73 -1.087 11.457 -8.907 561 1HG LYS 73 1HG LYS 73 1.109 12.502 -9.614 562 2HG LYS 73 2HG LYS 73 1.745 10.859 -9.699 563 1HD LYS 73 1HD LYS 73 1.018 11.533 -11.892 564 2HD LYS 73 2HD LYS 73 -0.075 10.289 -11.284 565 1HE LYS 73 1HE LYS 73 -1.727 11.940 -10.719 566 2HE LYS 73 2HE LYS 73 -0.617 13.249 -11.122 567 1HZ LYS 73 1HZ LYS 73 -1.727 11.260 -13.029 568 2HZ LYS 73 2HZ LYS 73 -0.638 12.491 -13.426 569 3HZ LYS 73 3HZ LYS 73 -2.197 12.880 -12.899 570 H MET 74 H MET 74 -0.654 9.507 -5.908 571 HA MET 74 HA MET 74 -3.131 10.823 -5.264 572 1HB MET 74 1HB MET 74 -3.513 8.670 -3.919 573 2HB MET 74 2HB MET 74 -3.436 8.547 -5.671 574 1HG MET 74 1HG MET 74 -1.118 7.806 -5.513 575 2HG MET 74 2HG MET 74 -1.208 7.914 -3.759 576 1HE MET 74 1HE MET 74 -2.782 6.373 -2.264 577 2HE MET 74 2HE MET 74 -3.857 5.142 -2.924 578 3HE MET 74 3HE MET 74 -4.183 6.848 -3.223 579 H ILE 75 H ILE 75 -0.078 10.168 -3.686 580 HA ILE 75 HA ILE 75 -0.862 10.574 -1.025 581 HB ILE 75 HB ILE 75 1.771 11.217 -2.372 582 1HG1 ILE 75 1HG1 ILE 75 1.035 8.891 -0.585 583 2HG1 ILE 75 2HG1 ILE 75 1.006 8.817 -2.343 584 1HG2 ILE 75 1HG2 ILE 75 0.845 11.640 0.383 585 2HG2 ILE 75 2HG2 ILE 75 2.163 12.403 -0.504 586 3HG2 ILE 75 3HG2 ILE 75 2.397 10.821 0.233 587 1HD1 ILE 75 1HD1 ILE 75 3.420 9.350 -0.630 588 2HD1 ILE 75 2HD1 ILE 75 3.402 9.314 -2.393 589 3HD1 ILE 75 3HD1 ILE 75 3.044 7.850 -1.478 590 H GLU 76 H GLU 76 -0.538 12.694 -3.701 591 HA GLU 76 HA GLU 76 -0.104 15.138 -2.402 592 1HB GLU 76 1HB GLU 76 -1.715 14.682 -4.915 593 2HB GLU 76 2HB GLU 76 -0.946 16.185 -4.418 594 1HG GLU 76 1HG GLU 76 1.245 15.025 -4.544 595 2HG GLU 76 2HG GLU 76 0.411 13.629 -5.208 596 H VAL 77 H VAL 77 -3.192 13.686 -3.472 597 HA VAL 77 HA VAL 77 -4.698 15.658 -1.960 598 HB VAL 77 HB VAL 77 -5.726 13.289 -3.527 599 1HG1 VAL 77 1HG1 VAL 77 -7.110 15.775 -2.525 600 2HG1 VAL 77 2HG1 VAL 77 -7.331 14.136 -1.913 601 3HG1 VAL 77 3HG1 VAL 77 -7.840 14.541 -3.552 602 1HG2 VAL 77 1HG2 VAL 77 -5.412 16.159 -4.401 603 2HG2 VAL 77 2HG2 VAL 77 -6.144 14.859 -5.341 604 3HG2 VAL 77 3HG2 VAL 77 -4.426 14.801 -4.948 605 H VAL 78 H VAL 78 -4.187 12.157 -1.946 606 HA VAL 78 HA VAL 78 -5.864 11.356 0.060 607 HB VAL 78 HB VAL 78 -3.163 10.365 -0.813 608 1HG1 VAL 78 1HG1 VAL 78 -3.215 9.910 1.584 609 2HG1 VAL 78 2HG1 VAL 78 -3.429 8.418 0.674 610 3HG1 VAL 78 3HG1 VAL 78 -4.817 9.192 1.432 611 1HG2 VAL 78 1HG2 VAL 78 -5.067 9.923 -2.239 612 2HG2 VAL 78 2HG2 VAL 78 -5.946 9.209 -0.888 613 3HG2 VAL 78 3HG2 VAL 78 -4.495 8.422 -1.510 614 H HIS 79 H HIS 79 -2.944 13.214 0.353 615 HA HIS 79 HA HIS 79 -3.253 13.195 3.281 616 1HB HIS 79 1HB HIS 79 -0.760 13.453 1.600 617 2HB HIS 79 2HB HIS 79 -0.804 13.894 3.303 618 HD1 HIS 79 1HD HIS 79 -0.925 11.982 5.021 619 HD2 HIS 79 2HD HIS 79 -0.836 10.699 1.071 620 HE1 HIS 79 1HE HIS 79 -0.472 9.511 5.128 621 HE2 HIS 79 2HE HIS 79 -0.301 8.783 2.722 622 H ALA 80 H ALA 80 -4.900 14.864 2.124 623 HA ALA 80 HA ALA 80 -3.843 17.415 1.458 624 1HB ALA 80 1HB ALA 80 -6.147 18.193 1.584 625 2HB ALA 80 2HB ALA 80 -6.624 16.690 2.374 626 3HB ALA 80 3HB ALA 80 -6.051 16.667 0.706 627 H GLY 81 H GLY 81 -3.420 19.170 2.680 628 1HA GLY 81 1HA GLY 81 -4.288 20.209 4.917 629 2HA GLY 81 2HA GLY 81 -3.486 18.795 5.587 630 H ASN 82 H ASN 82 -1.158 18.526 4.927 631 HA ASN 82 HA ASN 82 0.152 21.164 4.921 632 1HB ASN 82 1HB ASN 82 1.066 18.528 6.079 633 2HB ASN 82 2HB ASN 82 2.078 19.964 5.990 634 1HD2 ASN 82 1HD2 ASN 82 1.651 21.703 7.327 635 2HD2 ASN 82 2HD2 ASN 82 0.602 21.584 8.694 636 H ALA 83 H ALA 83 2.156 21.373 3.774 637 HA ALA 83 HA ALA 83 2.091 19.998 1.239 638 1HB ALA 83 1HB ALA 83 2.510 22.407 1.351 639 2HB ALA 83 2HB ALA 83 3.842 21.549 0.575 640 3HB ALA 83 3HB ALA 83 4.002 22.103 2.242 641 H ASP 84 H ASP 84 4.205 20.065 4.075 642 HA ASP 84 HA ASP 84 6.179 18.399 2.813 643 1HB ASP 84 1HB ASP 84 5.907 19.099 5.739 644 2HB ASP 84 2HB ASP 84 7.314 18.389 4.948 645 H ASP 85 H ASP 85 3.367 17.912 4.838 646 HA ASP 85 HA ASP 85 3.905 15.342 5.785 647 1HB ASP 85 1HB ASP 85 1.427 16.894 5.230 648 2HB ASP 85 2HB ASP 85 1.255 15.150 5.412 649 H ILE 86 H ILE 86 2.904 16.502 2.666 650 HA ILE 86 HA ILE 86 2.405 13.908 1.545 651 HB ILE 86 HB ILE 86 2.849 16.593 0.214 652 1HG1 ILE 86 1HG1 ILE 86 0.261 15.095 0.654 653 2HG1 ILE 86 2HG1 ILE 86 0.843 16.364 1.727 654 1HG2 ILE 86 1HG2 ILE 86 1.902 15.586 -1.789 655 2HG2 ILE 86 2HG2 ILE 86 1.764 14.035 -0.962 656 3HG2 ILE 86 3HG2 ILE 86 3.356 14.723 -1.288 657 1HD1 ILE 86 1HD1 ILE 86 0.213 16.700 -1.196 658 2HD1 ILE 86 2HD1 ILE 86 0.741 17.968 -0.090 659 3HD1 ILE 86 3HD1 ILE 86 -0.822 17.186 0.147 660 H GLN 87 H GLN 87 5.051 16.162 1.830 661 HA GLN 87 HA GLN 87 6.793 14.852 -0.014 662 1HB GLN 87 1HB GLN 87 7.410 16.837 2.177 663 2HB GLN 87 2HB GLN 87 8.521 16.344 0.905 664 1HG GLN 87 1HG GLN 87 5.872 17.652 0.373 665 2HG GLN 87 2HG GLN 87 7.378 18.545 0.553 666 1HE2 GLN 87 1HE2 GLN 87 8.944 16.440 -0.738 667 2HE2 GLN 87 2HE2 GLN 87 8.605 16.561 -2.427 668 H LEU 88 H LEU 88 5.896 14.334 3.245 669 HA LEU 88 HA LEU 88 8.296 12.998 4.066 670 1HB LEU 88 1HB LEU 88 6.711 14.102 5.640 671 2HB LEU 88 2HB LEU 88 5.535 12.854 5.279 672 HG LEU 88 HG LEU 88 7.104 11.158 6.183 673 1HD1 LEU 88 1HD1 LEU 88 9.001 11.954 7.551 674 2HD1 LEU 88 2HD1 LEU 88 8.733 13.583 6.929 675 3HD1 LEU 88 3HD1 LEU 88 9.204 12.285 5.831 676 1HD2 LEU 88 1HD2 LEU 88 6.775 11.743 8.530 677 2HD2 LEU 88 2HD2 LEU 88 5.335 12.100 7.578 678 3HD2 LEU 88 3HD2 LEU 88 6.412 13.406 8.072 679 H VAL 89 H VAL 89 4.993 11.860 3.334 680 HA VAL 89 HA VAL 89 5.490 9.128 3.468 681 HB VAL 89 HB VAL 89 3.571 10.471 1.559 682 1HG1 VAL 89 1HG1 VAL 89 2.277 8.399 1.790 683 2HG1 VAL 89 2HG1 VAL 89 3.549 7.726 2.811 684 3HG1 VAL 89 3HG1 VAL 89 3.880 8.098 1.120 685 1HG2 VAL 89 1HG2 VAL 89 3.263 11.318 3.831 686 2HG2 VAL 89 2HG2 VAL 89 3.137 9.665 4.435 687 3HG2 VAL 89 3HG2 VAL 89 1.908 10.300 3.340 688 H LYS 90 H LYS 90 6.216 11.444 0.986 689 HA LYS 90 HA LYS 90 6.610 9.780 -1.215 690 1HB LYS 90 1HB LYS 90 7.256 12.487 -0.445 691 2HB LYS 90 2HB LYS 90 8.582 11.776 -1.352 692 1HG LYS 90 1HG LYS 90 7.059 12.969 -2.816 693 2HG LYS 90 2HG LYS 90 7.040 11.246 -3.176 694 1HD LYS 90 1HD LYS 90 4.970 10.971 -1.980 695 2HD LYS 90 2HD LYS 90 5.001 12.656 -1.466 696 1HE LYS 90 1HE LYS 90 5.047 11.906 -4.362 697 2HE LYS 90 2HE LYS 90 3.538 12.034 -3.468 698 1HZ LYS 90 1HZ LYS 90 4.091 14.323 -2.928 699 2HZ LYS 90 2HZ LYS 90 4.076 14.098 -4.605 700 3HZ LYS 90 3HZ LYS 90 5.548 14.195 -3.780 701 H GLY 91 H GLY 91 8.926 10.838 1.270 702 1HA GLY 91 1HA GLY 91 11.076 9.266 0.233 703 2HA GLY 91 2HA GLY 91 11.033 10.066 1.798 704 H ILE 92 H ILE 92 8.482 8.672 2.472 705 HA ILE 92 HA ILE 92 9.562 6.499 3.879 706 HB ILE 92 HB ILE 92 6.709 7.150 3.198 707 1HG1 ILE 92 1HG1 ILE 92 8.319 7.526 5.672 708 2HG1 ILE 92 2HG1 ILE 92 7.809 8.798 4.587 709 1HG2 ILE 92 1HG2 ILE 92 6.098 5.577 5.009 710 2HG2 ILE 92 2HG2 ILE 92 7.780 5.049 5.052 711 3HG2 ILE 92 3HG2 ILE 92 6.811 4.789 3.602 712 1HD1 ILE 92 1HD1 ILE 92 6.065 7.094 6.344 713 2HD1 ILE 92 2HD1 ILE 92 5.461 8.247 5.153 714 3HD1 ILE 92 3HD1 ILE 92 6.413 8.813 6.527 715 H ALA 93 H ALA 93 7.668 6.623 0.880 716 HA ALA 93 HA ALA 93 7.421 3.863 0.476 717 1HB ALA 93 1HB ALA 93 7.573 6.042 -1.605 718 2HB ALA 93 2HB ALA 93 6.116 5.521 -0.759 719 3HB ALA 93 3HB ALA 93 6.945 4.412 -1.850 720 H ASN 94 H ASN 94 10.062 6.059 -0.147 721 HA ASN 94 HA ASN 94 11.544 4.522 -1.955 722 1HB ASN 94 1HB ASN 94 11.979 6.921 -1.312 723 2HB ASN 94 2HB ASN 94 12.691 6.324 0.183 724 1HD2 ASN 94 1HD2 ASN 94 13.912 7.851 -1.964 725 2HD2 ASN 94 2HD2 ASN 94 15.241 6.906 -2.535 726 H GLU 95 H GLU 95 11.518 4.530 1.588 727 HA GLU 95 HA GLU 95 13.634 2.690 1.926 728 1HB GLU 95 1HB GLU 95 12.705 4.207 3.700 729 2HB GLU 95 2HB GLU 95 11.309 3.143 3.806 730 1HG GLU 95 1HG GLU 95 12.854 2.631 5.570 731 2HG GLU 95 2HG GLU 95 12.801 1.290 4.427 732 H CYS 96 H CYS 96 10.266 2.308 1.196 733 HA CYS 96 HA CYS 96 10.163 -0.487 1.891 734 1HB CYS 96 1HB CYS 96 8.223 1.149 0.244 735 2HB CYS 96 2HB CYS 96 7.915 -0.428 0.964 736 H ILE 97 H ILE 97 10.862 1.415 -0.951 737 HA ILE 97 HA ILE 97 10.595 -0.764 -2.803 738 HB ILE 97 HB ILE 97 11.950 1.917 -3.131 739 1HG1 ILE 97 1HG1 ILE 97 9.264 0.912 -4.089 740 2HG1 ILE 97 2HG1 ILE 97 9.510 2.013 -2.740 741 1HG2 ILE 97 1HG2 ILE 97 11.255 -0.160 -5.205 742 2HG2 ILE 97 2HG2 ILE 97 12.880 0.268 -4.668 743 3HG2 ILE 97 3HG2 ILE 97 11.897 1.449 -5.535 744 1HD1 ILE 97 1HD1 ILE 97 10.123 2.546 -5.635 745 2HD1 ILE 97 2HD1 ILE 97 10.502 3.642 -4.306 746 3HD1 ILE 97 3HD1 ILE 97 8.823 3.247 -4.674 747 H GLU 98 H GLU 98 13.294 0.880 -1.195 748 HA GLU 98 HA GLU 98 15.342 -0.628 -2.441 749 1HB GLU 98 1HB GLU 98 15.359 0.817 0.217 750 2HB GLU 98 2HB GLU 98 16.784 0.226 -0.626 751 1HG GLU 98 1HG GLU 98 16.304 1.739 -2.488 752 2HG GLU 98 2HG GLU 98 14.887 2.337 -1.627 753 H ASN 99 H ASN 99 13.056 -1.409 -0.080 754 HA ASN 99 HA ASN 99 14.671 -3.530 1.104 755 1HB ASN 99 1HB ASN 99 13.433 -2.398 2.748 756 2HB ASN 99 2HB ASN 99 11.985 -2.340 1.749 757 1HD2 ASN 99 1HD2 ASN 99 10.690 -4.150 1.573 758 2HD2 ASN 99 2HD2 ASN 99 10.804 -5.475 2.672 759 H ALA 100 H ALA 100 11.694 -3.124 -0.788 760 HA ALA 100 HA ALA 100 11.262 -5.956 -1.030 761 1HB ALA 100 1HB ALA 100 9.370 -4.427 -1.051 762 2HB ALA 100 2HB ALA 100 9.451 -5.327 -2.566 763 3HB ALA 100 3HB ALA 100 9.994 -3.651 -2.506 764 H LYS 101 H LYS 101 13.074 -3.593 -2.620 765 HA LYS 101 HA LYS 101 14.115 -3.427 -4.653 766 1HB LYS 101 1HB LYS 101 15.880 -5.116 -4.837 767 2HB LYS 101 2HB LYS 101 15.700 -4.513 -3.193 768 1HG LYS 101 1HG LYS 101 14.000 -6.738 -3.515 769 2HG LYS 101 2HG LYS 101 15.593 -7.174 -4.114 770 1HD LYS 101 1HD LYS 101 16.618 -6.674 -2.043 771 2HD LYS 101 2HD LYS 101 15.176 -5.843 -1.453 772 1HE LYS 101 1HE LYS 101 13.972 -7.894 -1.288 773 2HE LYS 101 2HE LYS 101 15.245 -8.779 -2.125 774 1HZ LYS 101 1HZ LYS 101 15.487 -7.497 0.545 775 2HZ LYS 101 2HZ LYS 101 16.720 -8.334 -0.255 776 3HZ LYS 101 3HZ LYS 101 15.333 -9.158 0.255 777 H GLY 102 H GLY 102 11.471 -4.487 -5.076 778 1HA GLY 102 1HA GLY 102 10.239 -5.522 -6.716 779 2HA GLY 102 2HA GLY 102 11.637 -5.243 -7.742 780 H GLU 103 H GLU 103 10.555 -7.445 -5.158 781 HA GLU 103 HA GLU 103 12.304 -9.540 -5.772 782 1HB GLU 103 1HB GLU 103 9.669 -9.396 -4.350 783 2HB GLU 103 2HB GLU 103 10.433 -10.951 -4.639 784 1HG GLU 103 1HG GLU 103 11.685 -8.645 -3.168 785 2HG GLU 103 2HG GLU 103 10.926 -10.047 -2.416 786 H THR 104 H THR 104 11.326 -11.806 -6.390 787 HA THR 104 HA THR 104 10.386 -11.500 -9.111 788 HB THR 104 HB THR 104 10.721 -13.937 -9.289 789 HG1 THR 104 1HG THR 104 10.255 -14.591 -7.184 790 1HG2 THR 104 1HG2 THR 104 12.606 -12.442 -9.716 791 2HG2 THR 104 2HG2 THR 104 13.154 -13.947 -8.980 792 3HG2 THR 104 3HG2 THR 104 13.035 -12.482 -8.005 793 H ASP 105 H ASP 105 9.281 -13.138 -6.154 794 HA ASP 105 HA ASP 105 6.806 -13.939 -7.364 795 1HB ASP 105 1HB ASP 105 7.822 -15.303 -5.607 796 2HB ASP 105 2HB ASP 105 7.676 -13.970 -4.468 797 H GLU 106 H GLU 106 4.797 -13.047 -7.140 798 HA GLU 106 HA GLU 106 4.571 -10.288 -6.802 799 1HB GLU 106 1HB GLU 106 2.958 -11.687 -8.053 800 2HB GLU 106 2HB GLU 106 2.386 -12.362 -6.534 801 1HG GLU 106 1HG GLU 106 1.619 -10.166 -5.827 802 2HG GLU 106 2HG GLU 106 2.223 -9.462 -7.326 803 H CYS 107 H CYS 107 3.254 -12.804 -4.639 804 HA CYS 107 HA CYS 107 2.509 -11.144 -2.555 805 1HB CYS 107 1HB CYS 107 3.469 -14.008 -2.473 806 2HB CYS 107 2HB CYS 107 2.701 -13.184 -1.120 807 H ASN 108 H ASN 108 5.678 -12.281 -3.432 808 HA ASN 108 HA ASN 108 6.925 -11.737 -0.923 809 1HB ASN 108 1HB ASN 108 7.806 -13.277 -2.749 810 2HB ASN 108 2HB ASN 108 8.303 -11.821 -3.607 811 1HD2 ASN 108 1HD2 ASN 108 9.938 -13.970 -2.568 812 2HD2 ASN 108 2HD2 ASN 108 11.042 -13.250 -1.452 813 H ILE 109 H ILE 109 6.626 -9.961 -3.979 814 HA ILE 109 HA ILE 109 8.209 -7.749 -3.300 815 HB ILE 109 HB ILE 109 5.796 -7.867 -5.117 816 1HG1 ILE 109 1HG1 ILE 109 8.733 -7.888 -5.826 817 2HG1 ILE 109 2HG1 ILE 109 7.742 -9.334 -5.717 818 1HG2 ILE 109 1HG2 ILE 109 6.694 -5.800 -6.118 819 2HG2 ILE 109 2HG2 ILE 109 7.908 -5.735 -4.841 820 3HG2 ILE 109 3HG2 ILE 109 6.198 -5.584 -4.440 821 1HD1 ILE 109 1HD1 ILE 109 7.336 -7.042 -7.618 822 2HD1 ILE 109 2HD1 ILE 109 6.304 -8.467 -7.496 823 3HD1 ILE 109 3HD1 ILE 109 7.980 -8.635 -8.015 824 H GLY 110 H GLY 110 4.723 -8.299 -2.952 825 1HA GLY 110 1HA GLY 110 4.149 -5.765 -1.823 826 2HA GLY 110 2HA GLY 110 3.110 -7.178 -1.775 827 H ASN 111 H ASN 111 4.807 -8.930 -0.334 828 HA ASN 111 HA ASN 111 4.167 -8.238 2.295 829 1HB ASN 111 1HB ASN 111 4.528 -10.539 1.788 830 2HB ASN 111 2HB ASN 111 6.155 -10.225 1.193 831 1HD2 ASN 111 1HD2 ASN 111 4.801 -8.817 4.109 832 2HD2 ASN 111 2HD2 ASN 111 5.829 -9.658 5.212 833 H LYS 112 H LYS 112 7.110 -7.737 0.445 834 HA LYS 112 HA LYS 112 8.606 -6.743 2.687 835 1HB LYS 112 1HB LYS 112 9.126 -6.663 -0.288 836 2HB LYS 112 2HB LYS 112 10.263 -6.093 0.922 837 1HG LYS 112 1HG LYS 112 9.226 -8.914 0.785 838 2HG LYS 112 2HG LYS 112 10.734 -8.372 0.048 839 1HD LYS 112 1HD LYS 112 11.628 -9.018 2.015 840 2HD LYS 112 2HD LYS 112 11.052 -7.443 2.566 841 1HE LYS 112 1HE LYS 112 8.993 -8.475 3.378 842 2HE LYS 112 2HE LYS 112 9.547 -10.046 2.804 843 1HZ LYS 112 1HZ LYS 112 9.954 -9.840 5.150 844 2HZ LYS 112 2HZ LYS 112 10.815 -8.403 4.927 845 3HZ LYS 112 3HZ LYS 112 11.438 -9.859 4.336 846 H TYR 113 H TYR 113 6.772 -5.366 0.020 847 HA TYR 113 HA TYR 113 7.548 -2.663 0.545 848 1HB TYR 113 1HB TYR 113 6.777 -3.584 -1.685 849 2HB TYR 113 2HB TYR 113 5.143 -3.581 -1.029 850 HD1 TYR 113 1HD TYR 113 3.845 -1.624 -1.076 851 HD2 TYR 113 2HD TYR 113 8.031 -1.376 -1.783 852 HE1 TYR 113 1HE TYR 113 3.587 0.729 -1.740 853 HE2 TYR 113 2HE TYR 113 7.786 0.977 -2.450 854 HH TYR 113 HH TYR 113 4.972 2.769 -1.876 855 H THR 114 H THR 114 5.024 -4.764 1.695 856 HA THR 114 HA THR 114 3.387 -2.619 2.696 857 HB THR 114 HB THR 114 2.334 -4.744 2.025 858 HG1 THR 114 1HG THR 114 1.000 -3.858 3.442 859 1HG2 THR 114 1HG2 THR 114 3.614 -5.943 4.483 860 2HG2 THR 114 2HG2 THR 114 4.200 -6.213 2.843 861 3HG2 THR 114 3HG2 THR 114 2.587 -6.755 3.302 862 H ASP 115 H ASP 115 5.525 -5.083 4.090 863 HA ASP 115 HA ASP 115 5.372 -4.573 6.759 864 1HB ASP 115 1HB ASP 115 6.814 -6.306 5.812 865 2HB ASP 115 2HB ASP 115 7.888 -5.072 5.150 866 H CYS 116 H CYS 116 7.736 -2.997 4.608 867 HA CYS 116 HA CYS 116 8.743 -1.166 6.429 868 1HB CYS 116 1HB CYS 116 10.014 -1.270 4.519 869 2HB CYS 116 2HB CYS 116 8.610 -1.310 3.457 870 H TYR 117 H TYR 117 5.935 -0.866 4.299 871 HA TYR 117 HA TYR 117 5.430 1.854 4.722 872 1HB TYR 117 1HB TYR 117 4.332 -0.027 3.137 873 2HB TYR 117 2HB TYR 117 3.090 0.064 4.380 874 HD1 TYR 117 1HD TYR 117 1.296 1.213 3.464 875 HD2 TYR 117 2HD TYR 117 5.227 2.726 2.859 876 HE1 TYR 117 1HE TYR 117 0.357 3.207 2.375 877 HE2 TYR 117 2HE TYR 117 4.298 4.724 1.773 878 HH TYR 117 HH TYR 117 1.028 5.552 1.933 879 H ILE 118 H ILE 118 4.801 -0.920 6.715 880 HA ILE 118 HA ILE 118 2.951 0.475 8.460 881 HB ILE 118 HB ILE 118 4.291 -2.200 8.871 882 1HG1 ILE 118 1HG1 ILE 118 2.949 -2.177 6.813 883 2HG1 ILE 118 2HG1 ILE 118 2.203 -3.187 8.045 884 1HG2 ILE 118 1HG2 ILE 118 2.457 -2.603 10.452 885 2HG2 ILE 118 2HG2 ILE 118 1.879 -0.960 10.185 886 3HG2 ILE 118 3HG2 ILE 118 3.453 -1.229 10.931 887 1HD1 ILE 118 1HD1 ILE 118 1.379 -0.383 7.320 888 2HD1 ILE 118 2HD1 ILE 118 0.627 -1.394 8.555 889 3HD1 ILE 118 3HD1 ILE 118 0.548 -1.868 6.859 890 H GLU 119 H GLU 119 6.355 -0.351 8.368 891 HA GLU 119 HA GLU 119 6.900 0.211 11.097 892 1HB GLU 119 1HB GLU 119 8.705 0.095 8.681 893 2HB GLU 119 2HB GLU 119 9.286 0.301 10.326 894 1HG GLU 119 1HG GLU 119 7.690 -2.054 9.339 895 2HG GLU 119 2HG GLU 119 9.444 -2.020 9.536 896 H LYS 120 H LYS 120 7.205 2.157 8.128 897 HA LYS 120 HA LYS 120 8.168 4.426 9.654 898 1HB LYS 120 1HB LYS 120 7.456 4.354 6.728 899 2HB LYS 120 2HB LYS 120 8.484 5.517 7.553 900 1HG LYS 120 1HG LYS 120 9.096 2.599 7.129 901 2HG LYS 120 2HG LYS 120 9.800 3.956 6.247 902 1HD LYS 120 1HD LYS 120 10.848 4.778 8.259 903 2HD LYS 120 2HD LYS 120 10.043 3.539 9.226 904 1HE LYS 120 1HE LYS 120 11.238 1.811 7.896 905 2HE LYS 120 2HE LYS 120 12.120 3.103 7.085 906 1HZ LYS 120 1HZ LYS 120 13.399 2.162 8.904 907 2HZ LYS 120 2HZ LYS 120 12.171 2.545 10.002 908 3HZ LYS 120 3HZ LYS 120 13.022 3.781 9.223 909 H LEU 121 H LEU 121 5.403 3.916 7.432 910 HA LEU 121 HA LEU 121 4.123 6.263 8.615 911 1HB LEU 121 1HB LEU 121 4.406 5.906 6.105 912 2HB LEU 121 2HB LEU 121 3.154 4.694 6.242 913 HG LEU 121 HG LEU 121 2.599 7.164 5.512 914 1HD1 LEU 121 1HD1 LEU 121 0.945 5.464 7.352 915 2HD1 LEU 121 2HD1 LEU 121 0.927 5.494 5.589 916 3HD1 LEU 121 3HD1 LEU 121 0.326 6.878 6.500 917 1HD2 LEU 121 1HD2 LEU 121 2.378 7.361 8.510 918 2HD2 LEU 121 2HD2 LEU 121 1.838 8.562 7.336 919 3HD2 LEU 121 3HD2 LEU 121 3.558 8.213 7.514 920 H PHE 122 H PHE 122 3.957 2.871 8.778 921 HA PHE 122 HA PHE 122 2.618 1.489 9.997 922 1HB PHE 122 1HB PHE 122 2.184 2.624 11.890 923 2HB PHE 122 2HB PHE 122 1.900 4.133 11.033 924 HD1 PHE 122 1HD PHE 122 0.371 1.073 12.330 925 HD2 PHE 122 2HD PHE 122 -0.304 4.786 10.365 926 HE1 PHE 122 1HE PHE 122 -2.040 0.866 12.771 927 HE2 PHE 122 2HE PHE 122 -2.710 4.589 10.804 928 HZ PHE 122 HZ PHE 122 -3.595 2.562 11.933 929 H SER 123 H SER 123 1.378 3.635 7.644 930 HA SER 123 HA SER 123 -0.567 1.633 6.843 931 1HB SER 123 1HB SER 123 -1.856 3.104 8.339 932 2HB SER 123 2HB SER 123 -1.388 4.500 7.370 933 HG SER 123 HG SER 123 -2.541 2.414 5.971 934 1H4 TSD 124 1H4 TSP 124 -0.161 -0.596 -1.082 935 2H4 TSD 124 2H4 TSP 124 -0.410 -0.135 0.586 936 3H4 TSD 124 3H4 TSP 124 0.553 0.877 -0.466 937 1H5 TSD 124 1H5 TSP 124 -1.679 0.374 -3.167 938 2H5 TSD 124 2H5 TSP 124 -3.200 1.176 -2.853 939 3H5 TSD 124 3H5 TSP 124 -2.936 -0.453 -2.276 940 1H6 TSD 124 1H6 TSP 124 -0.664 3.062 -1.833 941 2H6 TSD 124 2H6 TSP 124 -1.049 3.318 -0.147 942 3H6 TSD 124 3H6 TSP 124 -2.298 3.466 -1.362 943 1D3 TSD 124 1D3 TSP 124 -3.937 1.511 0.115 944 2D3 TSD 124 2D3 TSP 124 -3.313 -0.087 0.471 945 1D2 TSD 124 1D2 TSP 124 -2.463 2.501 1.809 946 2D2 TSD 124 2D2 TSP 124 -1.738 0.924 2.125 Start of MODEL 2 1 HA ILE 1 HA ILE 1 2.192 10.664 10.193 2 HB ILE 1 HB ILE 1 0.579 12.457 8.370 3 1HG1 ILE 1 1HG1 ILE 1 3.042 13.313 7.949 4 2HG1 ILE 1 2HG1 ILE 1 3.466 11.673 8.426 5 1HG2 ILE 1 1HG2 ILE 1 2.443 13.112 10.644 6 2HG2 ILE 1 2HG2 ILE 1 0.692 13.317 10.631 7 3HG2 ILE 1 3HG2 ILE 1 1.702 14.289 9.560 8 1HD1 ILE 1 1HD1 ILE 1 2.072 10.787 6.640 9 2HD1 ILE 1 2HD1 ILE 1 3.289 11.895 6.010 10 3HD1 ILE 1 3HD1 ILE 1 1.615 12.425 6.175 11 H ASP 2 H ASP 2 -1.057 11.467 8.954 12 HA ASP 2 HA ASP 2 -2.082 11.237 11.695 13 1HB ASP 2 1HB ASP 2 -3.341 12.523 9.262 14 2HB ASP 2 2HB ASP 2 -4.007 12.534 10.890 15 H GLN 3 H GLN 3 -3.526 9.736 12.266 16 HA GLN 3 HA GLN 3 -3.923 7.427 10.774 17 1HB GLN 3 1HB GLN 3 -5.518 8.570 13.067 18 2HB GLN 3 2HB GLN 3 -5.796 6.967 12.405 19 1HG GLN 3 1HG GLN 3 -4.447 6.756 14.358 20 2HG GLN 3 2HG GLN 3 -3.449 6.388 12.951 21 1HE2 GLN 3 1HE2 GLN 3 -1.795 7.772 12.378 22 2HE2 GLN 3 2HE2 GLN 3 -1.219 9.019 13.426 23 H ASP 4 H ASP 4 -5.603 10.439 10.691 24 HA ASP 4 HA ASP 4 -7.929 9.385 9.340 25 1HB ASP 4 1HB ASP 4 -7.069 12.242 9.840 26 2HB ASP 4 2HB ASP 4 -8.629 11.747 9.189 27 H THR 5 H THR 5 -5.330 11.661 8.472 28 HA THR 5 HA THR 5 -5.943 12.031 5.808 29 HB THR 5 HB THR 5 -3.579 12.591 5.449 30 HG1 THR 5 1HG THR 5 -2.072 11.858 6.757 31 1HG2 THR 5 1HG2 THR 5 -3.394 14.356 7.150 32 2HG2 THR 5 2HG2 THR 5 -4.669 13.580 8.089 33 3HG2 THR 5 3HG2 THR 5 -5.030 14.251 6.499 34 H VAL 6 H VAL 6 -4.372 9.310 7.320 35 HA VAL 6 HA VAL 6 -3.554 8.172 4.785 36 HB VAL 6 HB VAL 6 -3.450 6.988 7.564 37 1HG1 VAL 6 1HG1 VAL 6 -3.456 5.259 5.853 38 2HG1 VAL 6 2HG1 VAL 6 -1.864 5.386 6.599 39 3HG1 VAL 6 3HG1 VAL 6 -2.146 6.076 5.002 40 1HG2 VAL 6 1HG2 VAL 6 -1.295 8.313 5.921 41 2HG2 VAL 6 2HG2 VAL 6 -1.073 7.549 7.495 42 3HG2 VAL 6 3HG2 VAL 6 -2.078 8.992 7.348 43 H VAL 7 H VAL 7 -5.544 6.891 7.459 44 HA VAL 7 HA VAL 7 -6.681 4.817 5.956 45 HB VAL 7 HB VAL 7 -7.775 6.159 8.428 46 1HG1 VAL 7 1HG1 VAL 7 -8.413 3.481 7.191 47 2HG1 VAL 7 2HG1 VAL 7 -9.499 4.864 7.331 48 3HG1 VAL 7 3HG1 VAL 7 -8.957 4.019 8.780 49 1HG2 VAL 7 1HG2 VAL 7 -5.985 3.752 8.101 50 2HG2 VAL 7 2HG2 VAL 7 -6.691 4.299 9.622 51 3HG2 VAL 7 3HG2 VAL 7 -5.528 5.317 8.774 52 H ALA 8 H ALA 8 -8.288 7.808 7.065 53 HA ALA 8 HA ALA 8 -10.692 7.443 5.764 54 1HB ALA 8 1HB ALA 8 -10.240 9.156 7.481 55 2HB ALA 8 2HB ALA 8 -11.094 9.789 6.074 56 3HB ALA 8 3HB ALA 8 -9.371 10.097 6.269 57 H LYS 9 H LYS 9 -7.666 8.615 4.378 58 HA LYS 9 HA LYS 9 -9.060 9.487 1.969 59 1HB LYS 9 1HB LYS 9 -6.152 9.557 2.753 60 2HB LYS 9 2HB LYS 9 -6.734 10.061 1.174 61 1HG LYS 9 1HG LYS 9 -7.576 11.265 3.803 62 2HG LYS 9 2HG LYS 9 -6.391 11.953 2.693 63 1HD LYS 9 1HD LYS 9 -9.272 11.395 1.985 64 2HD LYS 9 2HD LYS 9 -8.658 12.966 2.499 65 1HE LYS 9 1HE LYS 9 -7.139 12.999 0.581 66 2HE LYS 9 2HE LYS 9 -7.747 11.425 0.069 67 1HZ LYS 9 1HZ LYS 9 -9.942 12.414 -0.209 68 2HZ LYS 9 2HZ LYS 9 -8.794 13.206 -1.168 69 3HZ LYS 9 3HZ LYS 9 -9.341 13.924 0.262 70 H TYR 10 H TYR 10 -6.360 7.236 2.628 71 HA TYR 10 HA TYR 10 -6.229 6.082 0.121 72 1HB TYR 10 1HB TYR 10 -5.565 5.056 2.859 73 2HB TYR 10 2HB TYR 10 -5.434 3.991 1.465 74 HD1 TYR 10 1HD TYR 10 -4.184 5.278 -0.616 75 HD2 TYR 10 2HD TYR 10 -3.588 6.015 3.531 76 HE1 TYR 10 1HE TYR 10 -1.951 6.180 -1.102 77 HE2 TYR 10 2HE TYR 10 -1.353 6.922 3.054 78 HH TYR 10 HH TYR 10 -0.316 7.709 -0.074 79 H MET 11 H MET 11 -8.635 5.670 2.558 80 HA MET 11 HA MET 11 -9.662 3.190 1.513 81 1HB MET 11 1HB MET 11 -9.861 3.853 3.912 82 2HB MET 11 2HB MET 11 -10.955 5.140 3.428 83 1HG MET 11 1HG MET 11 -12.131 3.178 4.289 84 2HG MET 11 2HG MET 11 -12.554 3.539 2.618 85 1HE MET 11 1HE MET 11 -9.231 1.824 3.872 86 2HE MET 11 2HE MET 11 -9.703 0.125 3.851 87 3HE MET 11 3HE MET 11 -10.457 1.237 4.995 88 H GLU 12 H GLU 12 -10.929 6.516 1.698 89 HA GLU 12 HA GLU 12 -13.130 6.057 -0.005 90 1HB GLU 12 1HB GLU 12 -12.898 7.955 1.610 91 2HB GLU 12 2HB GLU 12 -11.727 8.681 0.517 92 1HG GLU 12 1HG GLU 12 -13.533 8.619 -1.248 93 2HG GLU 12 2HG GLU 12 -14.650 8.210 0.051 94 H TYR 13 H TYR 13 -9.804 6.667 -0.627 95 HA TYR 13 HA TYR 13 -10.048 7.743 -3.247 96 1HB TYR 13 1HB TYR 13 -8.026 7.751 -1.589 97 2HB TYR 13 2HB TYR 13 -7.645 6.199 -2.325 98 HD1 TYR 13 1HD TYR 13 -7.113 9.661 -2.507 99 HD2 TYR 13 2HD TYR 13 -7.598 6.227 -4.975 100 HE1 TYR 13 1HE TYR 13 -5.964 10.823 -4.340 101 HE2 TYR 13 2HE TYR 13 -6.451 7.386 -6.817 102 HH TYR 13 HH TYR 13 -5.999 9.710 -7.532 103 H LEU 14 H LEU 14 -9.846 4.498 -1.932 104 HA LEU 14 HA LEU 14 -10.597 3.422 -4.535 105 1HB LEU 14 1HB LEU 14 -8.137 2.591 -3.007 106 2HB LEU 14 2HB LEU 14 -8.873 1.585 -4.240 107 HG LEU 14 HG LEU 14 -7.926 4.391 -4.791 108 1HD1 LEU 14 1HD1 LEU 14 -6.411 1.828 -5.249 109 2HD1 LEU 14 2HD1 LEU 14 -6.058 3.000 -3.981 110 3HD1 LEU 14 3HD1 LEU 14 -5.888 3.457 -5.675 111 1HD2 LEU 14 1HD2 LEU 14 -7.943 3.619 -7.114 112 2HD2 LEU 14 2HD2 LEU 14 -9.537 3.479 -6.375 113 3HD2 LEU 14 3HD2 LEU 14 -8.534 2.043 -6.586 114 H MET 15 H MET 15 -12.331 3.642 -2.514 115 HA MET 15 HA MET 15 -12.373 1.414 -0.751 116 1HB MET 15 1HB MET 15 -13.585 3.717 -0.583 117 2HB MET 15 2HB MET 15 -14.838 2.927 -1.528 118 1HG MET 15 1HG MET 15 -13.775 1.816 1.046 119 2HG MET 15 2HG MET 15 -15.155 2.910 0.964 120 1HE MET 15 1HE MET 15 -16.699 2.045 -1.614 121 2HE MET 15 2HE MET 15 -17.476 2.312 -0.054 122 3HE MET 15 3HE MET 15 -17.808 0.838 -0.962 123 HA PRO 16 HA PRO 16 -15.579 -0.440 -3.820 124 1HB PRO 16 1HB PRO 16 -15.834 0.618 -6.282 125 2HB PRO 16 2HB PRO 16 -16.732 1.245 -4.894 126 1HG PRO 16 1HG PRO 16 -14.235 2.298 -6.168 127 2HG PRO 16 2HG PRO 16 -15.663 3.186 -5.600 128 1HD PRO 16 1HD PRO 16 -13.354 2.984 -4.163 129 2HD PRO 16 2HD PRO 16 -14.952 3.176 -3.416 130 H ASP 17 H ASP 17 -12.539 0.780 -5.037 131 HA ASP 17 HA ASP 17 -12.191 -1.267 -7.015 132 1HB ASP 17 1HB ASP 17 -10.165 0.616 -5.790 133 2HB ASP 17 2HB ASP 17 -9.907 -0.378 -7.220 134 H ILE 18 H ILE 18 -11.970 -1.257 -3.665 135 HA ILE 18 HA ILE 18 -9.842 -3.236 -3.517 136 HB ILE 18 HB ILE 18 -11.462 -1.764 -1.466 137 1HG1 ILE 18 1HG1 ILE 18 -8.481 -2.157 -1.760 138 2HG1 ILE 18 2HG1 ILE 18 -9.366 -0.817 -2.483 139 1HG2 ILE 18 1HG2 ILE 18 -9.745 -4.187 -0.946 140 2HG2 ILE 18 2HG2 ILE 18 -11.471 -4.017 -0.625 141 3HG2 ILE 18 3HG2 ILE 18 -10.305 -3.070 0.299 142 1HD1 ILE 18 1HD1 ILE 18 -8.275 -0.163 -0.408 143 2HD1 ILE 18 2HD1 ILE 18 -9.168 -1.409 0.462 144 3HD1 ILE 18 3HD1 ILE 18 -10.030 -0.055 -0.269 145 H MET 19 H MET 19 -13.319 -3.102 -3.507 146 HA MET 19 HA MET 19 -13.980 -5.480 -2.257 147 1HB MET 19 1HB MET 19 -15.314 -4.271 -4.686 148 2HB MET 19 2HB MET 19 -16.027 -5.467 -3.612 149 1HG MET 19 1HG MET 19 -15.919 -3.875 -1.766 150 2HG MET 19 2HG MET 19 -15.201 -2.679 -2.841 151 1HE MET 19 1HE MET 19 -17.797 -2.057 -1.094 152 2HE MET 19 2HE MET 19 -18.772 -1.201 -2.289 153 3HE MET 19 3HE MET 19 -17.035 -0.909 -2.194 154 HA PRO 20 HA PRO 20 -13.484 -7.728 -6.596 155 1HB PRO 20 1HB PRO 20 -11.297 -6.088 -7.742 156 2HB PRO 20 2HB PRO 20 -12.708 -6.793 -8.537 157 1HG PRO 20 1HG PRO 20 -12.573 -4.175 -8.083 158 2HG PRO 20 2HG PRO 20 -14.103 -5.055 -7.900 159 1HD PRO 20 1HD PRO 20 -12.196 -4.111 -5.793 160 2HD PRO 20 2HD PRO 20 -13.970 -4.073 -5.804 161 H CYS 21 H CYS 21 -10.714 -6.107 -5.103 162 HA CYS 21 HA CYS 21 -8.737 -7.980 -5.618 163 1HB CYS 21 1HB CYS 21 -9.059 -6.278 -3.142 164 2HB CYS 21 2HB CYS 21 -7.572 -7.064 -3.658 165 H ALA 22 H ALA 22 -10.990 -7.874 -2.862 166 HA ALA 22 HA ALA 22 -9.975 -10.043 -1.439 167 1HB ALA 22 1HB ALA 22 -12.894 -9.314 -1.666 168 2HB ALA 22 2HB ALA 22 -11.737 -8.467 -0.643 169 3HB ALA 22 3HB ALA 22 -12.105 -10.165 -0.337 170 H ASP 23 H ASP 23 -12.421 -10.006 -4.013 171 HA ASP 23 HA ASP 23 -12.730 -12.865 -3.973 172 1HB ASP 23 1HB ASP 23 -13.651 -10.810 -5.999 173 2HB ASP 23 2HB ASP 23 -14.133 -12.504 -5.981 174 H GLU 24 H GLU 24 -10.527 -10.678 -5.301 175 HA GLU 24 HA GLU 24 -9.832 -11.899 -7.720 176 1HB GLU 24 1HB GLU 24 -9.116 -9.623 -6.832 177 2HB GLU 24 2HB GLU 24 -7.891 -10.479 -5.911 178 1HG GLU 24 1HG GLU 24 -6.965 -9.593 -7.965 179 2HG GLU 24 2HG GLU 24 -6.937 -11.356 -7.972 180 H LEU 25 H LEU 25 -8.319 -12.294 -4.482 181 HA LEU 25 HA LEU 25 -6.987 -14.694 -5.570 182 1HB LEU 25 1HB LEU 25 -6.357 -13.143 -3.061 183 2HB LEU 25 2HB LEU 25 -5.403 -14.449 -3.747 184 HG LEU 25 HG LEU 25 -5.850 -11.753 -5.041 185 1HD1 LEU 25 1HD1 LEU 25 -3.383 -11.526 -4.646 186 2HD1 LEU 25 2HD1 LEU 25 -3.497 -12.933 -3.588 187 3HD1 LEU 25 3HD1 LEU 25 -4.388 -11.462 -3.200 188 1HD2 LEU 25 1HD2 LEU 25 -5.605 -13.511 -6.696 189 2HD2 LEU 25 2HD2 LEU 25 -4.144 -14.085 -5.891 190 3HD2 LEU 25 3HD2 LEU 25 -4.164 -12.494 -6.652 191 H HIS 26 H HIS 26 -8.829 -13.549 -2.735 192 HA HIS 26 HA HIS 26 -10.198 -15.951 -2.377 193 1HB HIS 26 1HB HIS 26 -7.803 -16.677 -1.777 194 2HB HIS 26 2HB HIS 26 -8.012 -15.720 -0.317 195 HD1 HIS 26 1HD HIS 26 -8.239 -19.060 -1.364 196 HD2 HIS 26 2HD HIS 26 -10.651 -16.635 0.994 197 HE1 HIS 26 1HE HIS 26 -9.638 -20.635 0.012 198 HE2 HIS 26 2HE HIS 26 -11.089 -19.146 1.434 199 H ILE 27 H ILE 27 -8.515 -13.716 -0.211 200 HA ILE 27 HA ILE 27 -11.039 -12.635 0.779 201 HB ILE 27 HB ILE 27 -9.972 -13.023 3.166 202 1HG1 ILE 27 1HG1 ILE 27 -9.159 -15.665 2.192 203 2HG1 ILE 27 2HG1 ILE 27 -8.128 -14.363 1.589 204 1HG2 ILE 27 1HG2 ILE 27 -11.458 -15.149 1.621 205 2HG2 ILE 27 2HG2 ILE 27 -12.170 -13.808 2.516 206 3HG2 ILE 27 3HG2 ILE 27 -11.313 -15.085 3.378 207 1HD1 ILE 27 1HD1 ILE 27 -7.257 -15.329 3.644 208 2HD1 ILE 27 2HD1 ILE 27 -8.755 -14.933 4.483 209 3HD1 ILE 27 3HD1 ILE 27 -7.714 -13.644 3.883 210 H SER 28 H SER 28 -10.829 -10.502 1.214 211 HA SER 28 HA SER 28 -8.390 -9.135 0.827 212 1HB SER 28 1HB SER 28 -9.617 -7.149 1.722 213 2HB SER 28 2HB SER 28 -10.489 -7.990 0.443 214 HG SER 28 HG SER 28 -11.983 -8.580 1.831 215 H GLU 29 H GLU 29 -7.315 -7.734 2.441 216 HA GLU 29 HA GLU 29 -6.366 -9.198 4.614 217 1HB GLU 29 1HB GLU 29 -6.075 -6.461 3.607 218 2HB GLU 29 2HB GLU 29 -5.857 -6.610 5.346 219 1HG GLU 29 1HG GLU 29 -3.757 -6.802 4.092 220 2HG GLU 29 2HG GLU 29 -4.126 -8.236 5.048 221 H ASP 30 H ASP 30 -9.194 -7.265 4.301 222 HA ASP 30 HA ASP 30 -9.598 -6.554 6.994 223 1HB ASP 30 1HB ASP 30 -10.876 -5.516 5.194 224 2HB ASP 30 2HB ASP 30 -11.623 -7.061 4.802 225 H ILE 31 H ILE 31 -10.449 -9.433 5.151 226 HA ILE 31 HA ILE 31 -11.590 -10.664 7.557 227 HB ILE 31 HB ILE 31 -11.571 -11.867 4.795 228 1HG1 ILE 31 1HG1 ILE 31 -13.751 -10.135 5.982 229 2HG1 ILE 31 2HG1 ILE 31 -12.597 -9.575 4.777 230 1HG2 ILE 31 1HG2 ILE 31 -12.101 -13.377 6.627 231 2HG2 ILE 31 2HG2 ILE 31 -13.533 -13.080 5.640 232 3HG2 ILE 31 3HG2 ILE 31 -13.352 -12.270 7.197 233 1HD1 ILE 31 1HD1 ILE 31 -14.630 -11.765 4.424 234 2HD1 ILE 31 2HD1 ILE 31 -13.439 -11.278 3.218 235 3HD1 ILE 31 3HD1 ILE 31 -14.690 -10.146 3.731 236 H ALA 32 H ALA 32 -8.695 -10.437 5.937 237 HA ALA 32 HA ALA 32 -7.735 -13.094 6.071 238 1HB ALA 32 1HB ALA 32 -6.163 -10.524 6.069 239 2HB ALA 32 2HB ALA 32 -6.722 -11.389 4.637 240 3HB ALA 32 3HB ALA 32 -5.536 -12.134 5.708 241 H THR 33 H THR 33 -8.391 -10.838 8.494 242 HA THR 33 HA THR 33 -6.344 -11.280 10.346 243 HB THR 33 HB THR 33 -9.255 -10.729 10.958 244 HG1 THR 33 1HG THR 33 -7.830 -8.542 11.173 245 1HG2 THR 33 1HG2 THR 33 -8.374 -9.714 13.022 246 2HG2 THR 33 2HG2 THR 33 -6.750 -10.242 12.577 247 3HG2 THR 33 3HG2 THR 33 -8.000 -11.436 12.927 248 H ASN 34 H ASN 34 -9.547 -12.421 11.232 249 HA ASN 34 HA ASN 34 -10.214 -14.304 12.328 250 1HB ASN 34 1HB ASN 34 -9.965 -15.118 9.970 251 2HB ASN 34 2HB ASN 34 -8.356 -15.695 10.392 252 1HD2 ASN 34 1HD2 ASN 34 -11.052 -15.788 12.602 253 2HD2 ASN 34 2HD2 ASN 34 -11.235 -17.506 12.614 254 H ILE 35 H ILE 35 -8.549 -13.149 13.934 255 HA ILE 35 HA ILE 35 -7.104 -13.409 15.669 256 HB ILE 35 HB ILE 35 -7.317 -16.387 15.271 257 1HG1 ILE 35 1HG1 ILE 35 -9.280 -14.620 16.750 258 2HG1 ILE 35 2HG1 ILE 35 -9.578 -15.317 15.161 259 1HG2 ILE 35 1HG2 ILE 35 -5.726 -15.601 16.950 260 2HG2 ILE 35 2HG2 ILE 35 -7.084 -16.437 17.703 261 3HG2 ILE 35 3HG2 ILE 35 -7.005 -14.674 17.735 262 1HD1 ILE 35 1HD1 ILE 35 -9.394 -17.559 16.122 263 2HD1 ILE 35 2HD1 ILE 35 -10.670 -16.611 16.887 264 3HD1 ILE 35 3HD1 ILE 35 -9.129 -16.846 17.713 265 H GLN 36 H GLN 36 -5.782 -12.773 13.462 266 HA GLN 36 HA GLN 36 -3.264 -14.213 13.760 267 1HB GLN 36 1HB GLN 36 -4.545 -13.732 11.061 268 2HB GLN 36 2HB GLN 36 -2.926 -14.364 11.323 269 1HG GLN 36 1HG GLN 36 -3.875 -16.328 12.426 270 2HG GLN 36 2HG GLN 36 -5.495 -15.695 12.148 271 1HE2 GLN 36 1HE2 GLN 36 -6.331 -15.673 10.053 272 2HE2 GLN 36 2HE2 GLN 36 -5.646 -16.629 8.787 273 H ALA 37 H ALA 37 -1.877 -12.668 14.311 274 HA ALA 37 HA ALA 37 -2.321 -9.917 13.726 275 1HB ALA 37 1HB ALA 37 0.123 -11.261 14.857 276 2HB ALA 37 2HB ALA 37 -1.229 -10.615 15.785 277 3HB ALA 37 3HB ALA 37 -0.197 -9.527 14.854 278 H ALA 38 H ALA 38 0.469 -11.971 12.897 279 HA ALA 38 HA ALA 38 1.830 -12.046 11.085 280 1HB ALA 38 1HB ALA 38 -0.355 -10.554 9.641 281 2HB ALA 38 2HB ALA 38 -0.269 -12.306 9.822 282 3HB ALA 38 3HB ALA 38 0.974 -11.451 8.907 283 H LYS 39 H LYS 39 0.513 -9.015 9.878 284 HA LYS 39 HA LYS 39 3.097 -7.764 10.511 285 1HB LYS 39 1HB LYS 39 2.086 -7.954 8.106 286 2HB LYS 39 2HB LYS 39 1.112 -6.579 8.606 287 1HG LYS 39 1HG LYS 39 4.123 -6.647 8.675 288 2HG LYS 39 2HG LYS 39 3.166 -5.966 7.360 289 1HD LYS 39 1HD LYS 39 2.180 -4.350 8.907 290 2HD LYS 39 2HD LYS 39 3.110 -5.046 10.236 291 1HE LYS 39 1HE LYS 39 5.190 -4.450 9.041 292 2HE LYS 39 2HE LYS 39 4.219 -3.677 7.788 293 1HZ LYS 39 1HZ LYS 39 4.306 -2.893 10.652 294 2HZ LYS 39 2HZ LYS 39 3.345 -2.163 9.467 295 3HZ LYS 39 3HZ LYS 39 5.030 -2.058 9.371 296 H ASN 40 H ASN 40 -0.308 -6.698 10.177 297 HA ASN 40 HA ASN 40 0.100 -4.978 12.531 298 1HB ASN 40 1HB ASN 40 -1.243 -3.226 11.486 299 2HB ASN 40 2HB ASN 40 0.156 -3.605 10.486 300 1HD2 ASN 40 1HD2 ASN 40 -0.142 -4.708 8.542 301 2HD2 ASN 40 2HD2 ASN 40 -1.688 -4.797 7.773 302 H GLY 41 H GLY 41 -1.300 -7.641 11.799 303 1HA GLY 41 1HA GLY 41 -2.983 -8.523 13.312 304 2HA GLY 41 2HA GLY 41 -3.821 -6.986 13.185 305 H ALA 42 H ALA 42 -3.092 -7.121 10.197 306 HA ALA 42 HA ALA 42 -5.514 -8.516 9.394 307 1HB ALA 42 1HB ALA 42 -5.137 -7.494 7.211 308 2HB ALA 42 2HB ALA 42 -3.572 -6.886 7.755 309 3HB ALA 42 3HB ALA 42 -5.056 -6.285 8.492 310 H ASP 43 H ASP 43 -2.303 -8.366 7.897 311 HA ASP 43 HA ASP 43 -1.665 -11.084 8.109 312 1HB ASP 43 1HB ASP 43 -3.721 -11.080 6.506 313 2HB ASP 43 2HB ASP 43 -2.581 -10.461 5.315 314 H MET 44 H MET 44 0.103 -11.674 6.470 315 HA MET 44 HA MET 44 1.580 -9.274 5.609 316 1HB MET 44 1HB MET 44 3.466 -9.822 6.752 317 2HB MET 44 2HB MET 44 2.323 -10.629 7.811 318 1HG MET 44 1HG MET 44 2.756 -12.743 6.674 319 2HG MET 44 2HG MET 44 3.900 -11.932 5.601 320 1HE MET 44 1HE MET 44 4.692 -14.505 7.162 321 2HE MET 44 2HE MET 44 6.253 -14.084 7.866 322 3HE MET 44 3HE MET 44 5.878 -13.614 6.208 323 H SER 45 H SER 45 1.150 -12.777 5.268 324 HA SER 45 HA SER 45 2.741 -13.085 2.964 325 1HB SER 45 1HB SER 45 0.385 -14.738 3.904 326 2HB SER 45 2HB SER 45 1.556 -15.231 2.682 327 HG SER 45 HG SER 45 3.156 -15.218 4.252 328 H GLN 46 H GLN 46 -0.799 -12.746 3.323 329 HA GLN 46 HA GLN 46 -1.071 -12.431 0.457 330 1HB GLN 46 1HB GLN 46 -3.077 -12.514 2.706 331 2HB GLN 46 2HB GLN 46 -3.527 -12.178 1.040 332 1HG GLN 46 1HG GLN 46 -2.678 -14.712 2.306 333 2HG GLN 46 2HG GLN 46 -3.898 -14.412 1.070 334 1HE2 GLN 46 1HE2 GLN 46 -3.224 -14.174 -1.107 335 2HE2 GLN 46 2HE2 GLN 46 -1.708 -14.805 -1.648 336 H LEU 47 H LEU 47 -0.511 -10.438 3.124 337 HA LEU 47 HA LEU 47 -1.917 -8.119 2.298 338 1HB LEU 47 1HB LEU 47 -1.094 -8.277 4.561 339 2HB LEU 47 2HB LEU 47 0.552 -8.468 4.001 340 HG LEU 47 HG LEU 47 0.427 -6.132 3.088 341 1HD1 LEU 47 1HD1 LEU 47 -2.073 -5.946 4.755 342 2HD1 LEU 47 2HD1 LEU 47 -2.059 -6.053 2.997 343 3HD1 LEU 47 3HD1 LEU 47 -1.323 -4.666 3.800 344 1HD2 LEU 47 1HD2 LEU 47 0.726 -5.065 5.258 345 2HD2 LEU 47 2HD2 LEU 47 1.517 -6.642 5.213 346 3HD2 LEU 47 3HD2 LEU 47 -0.023 -6.451 6.052 347 H GLY 48 H GLY 48 1.002 -9.643 1.335 348 1HA GLY 48 1HA GLY 48 1.922 -7.325 -0.147 349 2HA GLY 48 2HA GLY 48 2.714 -8.894 -0.067 350 H CYS 49 H CYS 49 -0.555 -9.264 -0.632 351 HA CYS 49 HA CYS 49 -0.260 -9.175 -3.536 352 1HB CYS 49 1HB CYS 49 -0.941 -11.551 -1.870 353 2HB CYS 49 2HB CYS 49 -1.631 -11.394 -3.480 354 H LEU 50 H LEU 50 -2.766 -10.388 -1.313 355 HA LEU 50 HA LEU 50 -4.963 -9.500 -2.692 356 1HB LEU 50 1HB LEU 50 -4.388 -10.157 0.116 357 2HB LEU 50 2HB LEU 50 -5.752 -9.080 -0.097 358 HG LEU 50 HG LEU 50 -6.756 -11.143 -0.048 359 1HD1 LEU 50 1HD1 LEU 50 -7.423 -9.932 -2.072 360 2HD1 LEU 50 2HD1 LEU 50 -7.541 -11.682 -2.262 361 3HD1 LEU 50 3HD1 LEU 50 -6.190 -10.807 -2.982 362 1HD2 LEU 50 1HD2 LEU 50 -4.338 -12.154 -1.491 363 2HD2 LEU 50 2HD2 LEU 50 -5.817 -13.106 -1.375 364 3HD2 LEU 50 3HD2 LEU 50 -4.964 -12.621 0.089 365 H LYS 51 H LYS 51 -2.922 -7.744 -0.437 366 HA LYS 51 HA LYS 51 -4.458 -5.310 -0.724 367 1HB LYS 51 1HB LYS 51 -2.789 -6.279 1.242 368 2HB LYS 51 2HB LYS 51 -1.779 -5.081 0.446 369 1HG LYS 51 1HG LYS 51 -2.884 -3.995 2.236 370 2HG LYS 51 2HG LYS 51 -3.644 -3.441 0.744 371 1HD LYS 51 1HD LYS 51 -5.479 -5.006 1.074 372 2HD LYS 51 2HD LYS 51 -4.709 -5.616 2.541 373 1HE LYS 51 1HE LYS 51 -6.467 -4.054 3.119 374 2HE LYS 51 2HE LYS 51 -4.899 -3.377 3.545 375 1HZ LYS 51 1HZ LYS 51 -6.306 -1.731 2.486 376 2HZ LYS 51 2HZ LYS 51 -6.469 -2.706 1.113 377 3HZ LYS 51 3HZ LYS 51 -4.959 -2.059 1.518 378 H ALA 52 H ALA 52 -1.749 -6.883 -2.186 379 HA ALA 52 HA ALA 52 -0.541 -4.552 -3.319 380 1HB ALA 52 1HB ALA 52 0.739 -6.079 -4.680 381 2HB ALA 52 2HB ALA 52 -0.365 -7.400 -4.301 382 3HB ALA 52 3HB ALA 52 0.652 -6.710 -3.035 383 H CYS 53 H CYS 53 -3.348 -6.336 -3.970 384 HA CYS 53 HA CYS 53 -3.647 -6.044 -6.734 385 1HB CYS 53 1HB CYS 53 -5.202 -7.466 -5.706 386 2HB CYS 53 2HB CYS 53 -5.574 -6.300 -4.442 387 H VAL 54 H VAL 54 -4.317 -3.874 -4.056 388 HA VAL 54 HA VAL 54 -5.669 -1.860 -5.482 389 HB VAL 54 HB VAL 54 -3.925 -1.560 -3.030 390 1HG1 VAL 54 1HG1 VAL 54 -5.277 0.440 -2.582 391 2HG1 VAL 54 2HG1 VAL 54 -6.102 0.217 -4.125 392 3HG1 VAL 54 3HG1 VAL 54 -4.376 0.577 -4.091 393 1HG2 VAL 54 1HG2 VAL 54 -5.670 -3.220 -2.688 394 2HG2 VAL 54 2HG2 VAL 54 -6.887 -2.080 -3.262 395 3HG2 VAL 54 3HG2 VAL 54 -6.014 -1.758 -1.764 396 H MET 55 H MET 55 -2.290 -2.632 -5.098 397 HA MET 55 HA MET 55 -1.253 -0.158 -6.044 398 1HB MET 55 1HB MET 55 0.064 -2.879 -6.089 399 2HB MET 55 2HB MET 55 0.873 -1.327 -6.212 400 1HG MET 55 1HG MET 55 0.184 -0.774 -3.942 401 2HG MET 55 2HG MET 55 -0.651 -2.321 -3.816 402 1HE MET 55 1HE MET 55 2.406 -2.836 -1.433 403 2HE MET 55 2HE MET 55 0.650 -2.888 -1.589 404 3HE MET 55 3HE MET 55 1.497 -1.343 -1.675 405 H LYS 56 H LYS 56 -1.445 -3.366 -7.603 406 HA LYS 56 HA LYS 56 -0.676 -2.496 -10.157 407 1HB LYS 56 1HB LYS 56 -2.531 -4.814 -9.637 408 2HB LYS 56 2HB LYS 56 -1.383 -4.623 -10.954 409 1HG LYS 56 1HG LYS 56 0.468 -4.823 -9.373 410 2HG LYS 56 2HG LYS 56 -0.684 -5.015 -8.051 411 1HD LYS 56 1HD LYS 56 -0.473 -6.851 -10.436 412 2HD LYS 56 2HD LYS 56 0.248 -7.166 -8.857 413 1HE LYS 56 1HE LYS 56 -1.989 -7.100 -7.841 414 2HE LYS 56 2HE LYS 56 -2.694 -6.825 -9.433 415 1HZ LYS 56 1HZ LYS 56 -1.169 -9.233 -8.598 416 2HZ LYS 56 2HZ LYS 56 -1.809 -8.970 -10.141 417 3HZ LYS 56 3HZ LYS 56 -2.845 -9.143 -8.815 418 H ARG 57 H ARG 57 -3.617 -2.132 -8.454 419 HA ARG 57 HA ARG 57 -5.376 -1.941 -10.689 420 1HB ARG 57 1HB ARG 57 -6.046 -2.434 -8.307 421 2HB ARG 57 2HB ARG 57 -5.771 -0.734 -7.951 422 1HG ARG 57 1HG ARG 57 -8.011 -0.698 -8.333 423 2HG ARG 57 2HG ARG 57 -7.427 -0.391 -9.970 424 1HD ARG 57 1HD ARG 57 -8.212 -3.087 -8.868 425 2HD ARG 57 2HD ARG 57 -9.213 -2.085 -9.917 426 HE ARG 57 HE ARG 57 -6.577 -2.991 -10.839 427 1HH1 ARG 57 1HH1 ARG 57 -10.051 -2.963 -11.142 428 2HH1 ARG 57 2HH1 ARG 57 -10.049 -3.729 -12.696 429 1HH2 ARG 57 1HH2 ARG 57 -6.569 -4.001 -12.884 430 2HH2 ARG 57 2HH2 ARG 57 -8.071 -4.318 -13.685 431 H ILE 58 H ILE 58 -3.286 0.307 -9.014 432 HA ILE 58 HA ILE 58 -4.382 2.516 -10.619 433 HB ILE 58 HB ILE 58 -3.254 4.045 -9.099 434 1HG1 ILE 58 1HG1 ILE 58 -2.442 1.598 -7.516 435 2HG1 ILE 58 2HG1 ILE 58 -1.350 2.516 -8.548 436 1HG2 ILE 58 1HG2 ILE 58 -4.900 1.977 -7.650 437 2HG2 ILE 58 2HG2 ILE 58 -5.527 3.332 -8.589 438 3HG2 ILE 58 3HG2 ILE 58 -4.613 3.632 -7.110 439 1HD1 ILE 58 1HD1 ILE 58 -1.127 3.093 -6.177 440 2HD1 ILE 58 2HD1 ILE 58 -2.807 3.625 -6.161 441 3HD1 ILE 58 3HD1 ILE 58 -1.625 4.471 -7.160 442 H GLU 59 H GLU 59 -2.282 0.302 -11.206 443 HA GLU 59 HA GLU 59 -0.468 0.086 -12.547 444 1HB GLU 59 1HB GLU 59 -1.119 2.969 -13.137 445 2HB GLU 59 2HB GLU 59 0.161 2.089 -13.959 446 1HG GLU 59 1HG GLU 59 -1.494 0.460 -14.757 447 2HG GLU 59 2HG GLU 59 -2.767 1.385 -13.963 448 H MET 60 H MET 60 0.298 0.152 -10.047 449 HA MET 60 HA MET 60 2.745 1.778 -10.117 450 1HB MET 60 1HB MET 60 2.596 2.323 -7.800 451 2HB MET 60 2HB MET 60 1.063 2.768 -8.534 452 1HG MET 60 1HG MET 60 -0.060 0.982 -7.539 453 2HG MET 60 2HG MET 60 1.438 0.136 -7.159 454 1HE MET 60 1HE MET 60 2.892 2.254 -4.230 455 2HE MET 60 2HE MET 60 3.269 2.383 -5.948 456 3HE MET 60 3HE MET 60 3.071 0.797 -5.208 457 H LEU 61 H LEU 61 1.791 -1.116 -10.551 458 HA LEU 61 HA LEU 61 4.131 -2.376 -9.503 459 1HB LEU 61 1HB LEU 61 2.788 -2.444 -7.481 460 2HB LEU 61 2HB LEU 61 1.439 -3.133 -8.362 461 HG LEU 61 HG LEU 61 2.802 -5.168 -8.786 462 1HD1 LEU 61 1HD1 LEU 61 4.846 -5.513 -7.494 463 2HD1 LEU 61 2HD1 LEU 61 4.758 -3.852 -6.909 464 3HD1 LEU 61 3HD1 LEU 61 5.017 -4.170 -8.623 465 1HD2 LEU 61 1HD2 LEU 61 2.659 -6.039 -6.502 466 2HD2 LEU 61 2HD2 LEU 61 1.231 -5.099 -6.931 467 3HD2 LEU 61 3HD2 LEU 61 2.469 -4.395 -5.890 468 H LYS 62 H LYS 62 4.698 -3.405 -11.317 469 HA LYS 62 HA LYS 62 2.611 -4.819 -12.836 470 1HB LYS 62 1HB LYS 62 5.275 -3.687 -13.675 471 2HB LYS 62 2HB LYS 62 4.372 -4.810 -14.681 472 1HG LYS 62 1HG LYS 62 3.860 -2.660 -15.479 473 2HG LYS 62 2HG LYS 62 2.449 -3.177 -14.559 474 1HD LYS 62 1HD LYS 62 4.173 -1.877 -12.747 475 2HD LYS 62 2HD LYS 62 4.092 -0.873 -14.195 476 1HE LYS 62 1HE LYS 62 1.742 -1.906 -12.615 477 2HE LYS 62 2HE LYS 62 2.354 -0.253 -12.605 478 1HZ LYS 62 1HZ LYS 62 1.237 -1.663 -14.969 479 2HZ LYS 62 2HZ LYS 62 1.810 -0.071 -14.950 480 3HZ LYS 62 3HZ LYS 62 0.437 -0.484 -14.056 481 H GLY 63 H GLY 63 2.758 -6.574 -11.256 482 1HA GLY 63 1HA GLY 63 3.340 -8.768 -10.864 483 2HA GLY 63 2HA GLY 63 4.463 -8.656 -12.208 484 H THR 64 H THR 64 5.838 -6.334 -10.941 485 HA THR 64 HA THR 64 6.878 -7.053 -8.436 486 HB THR 64 HB THR 64 7.970 -8.927 -9.278 487 HG1 THR 64 1HG THR 64 10.252 -8.083 -9.626 488 1HG2 THR 64 1HG2 THR 64 8.720 -7.310 -11.718 489 2HG2 THR 64 2HG2 THR 64 7.499 -8.580 -11.643 490 3HG2 THR 64 3HG2 THR 64 9.199 -8.979 -11.409 491 H GLU 65 H GLU 65 6.913 -5.164 -11.290 492 HA GLU 65 HA GLU 65 9.127 -3.490 -10.482 493 1HB GLU 65 1HB GLU 65 7.095 -3.020 -12.665 494 2HB GLU 65 2HB GLU 65 8.640 -2.204 -12.474 495 1HG GLU 65 1HG GLU 65 8.241 -5.122 -13.092 496 2HG GLU 65 2HG GLU 65 8.746 -3.873 -14.229 497 H LEU 66 H LEU 66 8.852 -2.146 -8.807 498 HA LEU 66 HA LEU 66 6.293 -1.118 -8.055 499 1HB LEU 66 1HB LEU 66 9.086 -0.530 -7.090 500 2HB LEU 66 2HB LEU 66 7.642 0.166 -6.378 501 HG LEU 66 HG LEU 66 8.413 -1.667 -5.038 502 1HD1 LEU 66 1HD1 LEU 66 6.007 -1.326 -5.180 503 2HD1 LEU 66 2HD1 LEU 66 6.399 -3.030 -4.952 504 3HD1 LEU 66 3HD1 LEU 66 5.929 -2.439 -6.546 505 1HD2 LEU 66 1HD2 LEU 66 9.596 -2.886 -6.840 506 2HD2 LEU 66 2HD2 LEU 66 8.029 -3.486 -7.391 507 3HD2 LEU 66 3HD2 LEU 66 8.622 -3.913 -5.788 508 H TYR 67 H TYR 67 5.627 1.045 -8.029 509 HA TYR 67 HA TYR 67 7.208 3.024 -9.461 510 1HB TYR 67 1HB TYR 67 4.503 2.055 -10.382 511 2HB TYR 67 2HB TYR 67 5.141 3.633 -10.834 512 HD1 TYR 67 1HD TYR 67 5.290 0.059 -11.425 513 HD2 TYR 67 2HD TYR 67 7.186 3.779 -12.234 514 HE1 TYR 67 1HE TYR 67 6.504 -0.975 -13.298 515 HE2 TYR 67 2HE TYR 67 8.406 2.757 -14.110 516 HH TYR 67 HH TYR 67 9.137 0.498 -14.817 517 H VAL 68 H VAL 68 6.899 5.055 -8.695 518 HA VAL 68 HA VAL 68 4.792 5.386 -6.668 519 HB VAL 68 HB VAL 68 6.286 7.134 -5.683 520 1HG1 VAL 68 1HG1 VAL 68 6.145 4.920 -4.703 521 2HG1 VAL 68 2HG1 VAL 68 7.799 5.522 -4.601 522 3HG1 VAL 68 3HG1 VAL 68 7.370 4.324 -5.823 523 1HG2 VAL 68 1HG2 VAL 68 7.660 7.602 -7.634 524 2HG2 VAL 68 2HG2 VAL 68 8.304 5.960 -7.590 525 3HG2 VAL 68 3HG2 VAL 68 8.668 7.084 -6.282 526 H GLU 69 H GLU 69 5.023 6.049 -9.705 527 HA GLU 69 HA GLU 69 4.896 8.874 -9.889 528 1HB GLU 69 1HB GLU 69 3.917 6.713 -11.755 529 2HB GLU 69 2HB GLU 69 3.858 8.426 -12.139 530 1HG GLU 69 1HG GLU 69 6.278 8.566 -11.964 531 2HG GLU 69 2HG GLU 69 6.355 6.860 -11.528 532 HA PRO 70 HA PRO 70 0.104 8.311 -9.897 533 1HB PRO 70 1HB PRO 70 -0.897 5.973 -8.923 534 2HB PRO 70 2HB PRO 70 -0.575 6.257 -10.637 535 1HG PRO 70 1HG PRO 70 1.035 4.750 -8.629 536 2HG PRO 70 2HG PRO 70 0.750 4.395 -10.340 537 1HD PRO 70 1HD PRO 70 3.049 5.520 -9.384 538 2HD PRO 70 2HD PRO 70 2.442 5.767 -11.031 539 H VAL 71 H VAL 71 2.082 6.930 -7.375 540 HA VAL 71 HA VAL 71 0.255 7.429 -5.230 541 HB VAL 71 HB VAL 71 3.244 7.144 -4.963 542 1HG1 VAL 71 1HG1 VAL 71 2.735 6.273 -2.776 543 2HG1 VAL 71 2HG1 VAL 71 1.005 6.348 -3.108 544 3HG1 VAL 71 3HG1 VAL 71 1.943 7.835 -2.974 545 1HG2 VAL 71 1HG2 VAL 71 1.182 4.954 -5.213 546 2HG2 VAL 71 2HG2 VAL 71 2.866 4.718 -4.746 547 3HG2 VAL 71 3HG2 VAL 71 2.475 5.317 -6.358 548 H TYR 72 H TYR 72 3.211 9.078 -6.337 549 HA TYR 72 HA TYR 72 3.269 11.131 -4.496 550 1HB TYR 72 1HB TYR 72 4.090 11.011 -7.387 551 2HB TYR 72 2HB TYR 72 4.290 12.485 -6.449 552 HD1 TYR 72 1HD TYR 72 6.721 12.277 -6.979 553 HD2 TYR 72 2HD TYR 72 4.686 9.376 -4.623 554 HE1 TYR 72 1HE TYR 72 8.880 11.454 -6.138 555 HE2 TYR 72 2HE TYR 72 6.837 8.548 -3.775 556 HH TYR 72 HH TYR 72 9.216 8.528 -4.491 557 H LYS 73 H LYS 73 1.010 10.571 -7.022 558 HA LYS 73 HA LYS 73 0.064 13.277 -7.213 559 1HB LYS 73 1HB LYS 73 -0.093 11.682 -9.095 560 2HB LYS 73 2HB LYS 73 -1.222 10.711 -8.161 561 1HG LYS 73 1HG LYS 73 -2.488 12.013 -9.687 562 2HG LYS 73 2HG LYS 73 -2.736 12.700 -8.080 563 1HD LYS 73 1HD LYS 73 -0.854 14.319 -8.667 564 2HD LYS 73 2HD LYS 73 -1.051 13.764 -10.331 565 1HE LYS 73 1HE LYS 73 -3.440 14.406 -10.211 566 2HE LYS 73 2HE LYS 73 -3.152 15.056 -8.597 567 1HZ LYS 73 1HZ LYS 73 -3.088 16.790 -10.279 568 2HZ LYS 73 2HZ LYS 73 -1.838 15.991 -11.092 569 3HZ LYS 73 3HZ LYS 73 -1.573 16.617 -9.545 570 H MET 74 H MET 74 -1.043 10.313 -5.573 571 HA MET 74 HA MET 74 -3.412 11.587 -4.571 572 1HB MET 74 1HB MET 74 -3.604 9.473 -3.190 573 2HB MET 74 2HB MET 74 -3.617 9.260 -4.935 574 1HG MET 74 1HG MET 74 -1.351 8.528 -4.926 575 2HG MET 74 2HG MET 74 -1.182 8.901 -3.212 576 1HE MET 74 1HE MET 74 -3.709 5.457 -4.951 577 2HE MET 74 2HE MET 74 -2.648 6.499 -5.902 578 3HE MET 74 3HE MET 74 -4.126 7.152 -5.198 579 H ILE 75 H ILE 75 -0.196 10.833 -3.333 580 HA ILE 75 HA ILE 75 -0.549 11.307 -0.634 581 HB ILE 75 HB ILE 75 1.825 12.159 -2.310 582 1HG1 ILE 75 1HG1 ILE 75 1.480 9.613 -0.723 583 2HG1 ILE 75 2HG1 ILE 75 1.133 9.724 -2.445 584 1HG2 ILE 75 1HG2 ILE 75 1.674 11.575 0.644 585 2HG2 ILE 75 2HG2 ILE 75 1.759 13.187 -0.068 586 3HG2 ILE 75 3HG2 ILE 75 3.107 12.065 -0.259 587 1HD1 ILE 75 1HD1 ILE 75 3.798 10.233 -1.145 588 2HD1 ILE 75 2HD1 ILE 75 3.454 10.347 -2.870 589 3HD1 ILE 75 3HD1 ILE 75 3.336 8.791 -2.048 590 H GLU 76 H GLU 76 -0.754 13.461 -3.289 591 HA GLU 76 HA GLU 76 -0.205 15.914 -2.007 592 1HB GLU 76 1HB GLU 76 -2.036 15.353 -4.345 593 2HB GLU 76 2HB GLU 76 -1.457 16.943 -3.868 594 1HG GLU 76 1HG GLU 76 0.868 16.127 -4.249 595 2HG GLU 76 2HG GLU 76 0.177 14.645 -4.906 596 H VAL 77 H VAL 77 -3.394 14.490 -2.805 597 HA VAL 77 HA VAL 77 -4.714 16.340 -1.006 598 HB VAL 77 HB VAL 77 -5.938 14.018 -2.498 599 1HG1 VAL 77 1HG1 VAL 77 -8.016 15.277 -2.256 600 2HG1 VAL 77 2HG1 VAL 77 -7.158 16.530 -1.360 601 3HG1 VAL 77 3HG1 VAL 77 -7.308 14.908 -0.683 602 1HG2 VAL 77 1HG2 VAL 77 -5.622 16.884 -3.383 603 2HG2 VAL 77 2HG2 VAL 77 -6.563 15.652 -4.221 604 3HG2 VAL 77 3HG2 VAL 77 -4.813 15.481 -4.081 605 H VAL 78 H VAL 78 -4.062 12.886 -1.198 606 HA VAL 78 HA VAL 78 -5.482 11.885 0.900 607 HB VAL 78 HB VAL 78 -2.762 11.134 -0.163 608 1HG1 VAL 78 1HG1 VAL 78 -4.320 9.670 1.976 609 2HG1 VAL 78 2HG1 VAL 78 -2.775 10.490 2.201 610 3HG1 VAL 78 3HG1 VAL 78 -2.876 9.070 1.160 611 1HG2 VAL 78 1HG2 VAL 78 -4.680 10.718 -1.594 612 2HG2 VAL 78 2HG2 VAL 78 -5.475 9.823 -0.300 613 3HG2 VAL 78 3HG2 VAL 78 -3.993 9.198 -1.023 614 H HIS 79 H HIS 79 -2.708 13.975 1.062 615 HA HIS 79 HA HIS 79 -2.848 13.851 4.002 616 1HB HIS 79 1HB HIS 79 -0.356 14.326 2.345 617 2HB HIS 79 2HB HIS 79 -0.446 14.350 4.103 618 HD1 HIS 79 1HD HIS 79 -0.521 12.104 5.322 619 HD2 HIS 79 2HD HIS 79 -0.462 11.756 1.184 620 HE1 HIS 79 1HE HIS 79 -0.066 9.674 4.858 621 HE2 HIS 79 2HE HIS 79 -0.117 9.472 2.348 622 H ALA 80 H ALA 80 -4.521 15.552 2.973 623 HA ALA 80 HA ALA 80 -3.519 18.088 2.234 624 1HB ALA 80 1HB ALA 80 -6.187 17.411 3.469 625 2HB ALA 80 2HB ALA 80 -5.809 17.357 1.748 626 3HB ALA 80 3HB ALA 80 -5.780 18.896 2.608 627 H GLY 81 H GLY 81 -2.927 19.834 3.397 628 1HA GLY 81 1HA GLY 81 -3.467 20.964 5.651 629 2HA GLY 81 2HA GLY 81 -2.783 19.488 6.316 630 H ASN 82 H ASN 82 -0.542 18.991 5.769 631 HA ASN 82 HA ASN 82 1.042 21.453 5.614 632 1HB ASN 82 1HB ASN 82 1.371 18.842 6.951 633 2HB ASN 82 2HB ASN 82 2.840 19.518 6.258 634 1HD2 ASN 82 1HD2 ASN 82 0.404 19.837 8.667 635 2HD2 ASN 82 2HD2 ASN 82 1.159 21.100 9.567 636 H ALA 83 H ALA 83 2.409 21.866 3.991 637 HA ALA 83 HA ALA 83 2.250 20.377 1.586 638 1HB ALA 83 1HB ALA 83 4.222 22.524 2.372 639 2HB ALA 83 2HB ALA 83 2.652 22.790 1.611 640 3HB ALA 83 3HB ALA 83 3.925 21.939 0.735 641 H ASP 84 H ASP 84 4.367 20.245 4.337 642 HA ASP 84 HA ASP 84 6.384 18.722 2.925 643 1HB ASP 84 1HB ASP 84 6.165 19.210 5.897 644 2HB ASP 84 2HB ASP 84 7.570 18.612 5.012 645 H ASP 85 H ASP 85 3.589 18.109 4.931 646 HA ASP 85 HA ASP 85 4.160 15.481 5.721 647 1HB ASP 85 1HB ASP 85 1.606 16.980 5.198 648 2HB ASP 85 2HB ASP 85 1.553 15.249 5.521 649 H ILE 86 H ILE 86 3.195 16.879 2.714 650 HA ILE 86 HA ILE 86 2.559 14.411 1.395 651 HB ILE 86 HB ILE 86 3.227 17.135 0.245 652 1HG1 ILE 86 1HG1 ILE 86 0.523 15.840 0.644 653 2HG1 ILE 86 2HG1 ILE 86 1.216 17.032 1.737 654 1HG2 ILE 86 1HG2 ILE 86 3.574 15.359 -1.385 655 2HG2 ILE 86 2HG2 ILE 86 2.154 16.317 -1.802 656 3HG2 ILE 86 3HG2 ILE 86 1.958 14.728 -1.062 657 1HD1 ILE 86 1HD1 ILE 86 1.255 18.665 -0.084 658 2HD1 ILE 86 2HD1 ILE 86 -0.371 18.063 0.233 659 3HD1 ILE 86 3HD1 ILE 86 0.534 17.469 -1.160 660 H GLN 87 H GLN 87 5.353 16.404 1.934 661 HA GLN 87 HA GLN 87 7.040 15.035 0.049 662 1HB GLN 87 1HB GLN 87 7.651 17.052 2.204 663 2HB GLN 87 2HB GLN 87 8.847 16.415 1.084 664 1HG GLN 87 1HG GLN 87 7.448 17.310 -0.778 665 2HG GLN 87 2HG GLN 87 6.437 18.080 0.443 666 1HE2 GLN 87 1HE2 GLN 87 8.687 18.652 2.198 667 2HE2 GLN 87 2HE2 GLN 87 9.536 19.972 1.477 668 H LEU 88 H LEU 88 6.035 14.573 3.267 669 HA LEU 88 HA LEU 88 8.333 13.187 4.234 670 1HB LEU 88 1HB LEU 88 6.368 14.370 5.504 671 2HB LEU 88 2HB LEU 88 5.581 12.815 5.355 672 HG LEU 88 HG LEU 88 6.632 13.005 7.523 673 1HD1 LEU 88 1HD1 LEU 88 6.608 10.796 6.482 674 2HD1 LEU 88 2HD1 LEU 88 8.024 11.012 7.512 675 3HD1 LEU 88 3HD1 LEU 88 8.185 11.118 5.758 676 1HD2 LEU 88 1HD2 LEU 88 9.192 13.473 6.001 677 2HD2 LEU 88 2HD2 LEU 88 9.069 13.229 7.742 678 3HD2 LEU 88 3HD2 LEU 88 8.334 14.647 6.996 679 H VAL 89 H VAL 89 5.038 12.023 3.518 680 HA VAL 89 HA VAL 89 5.720 9.298 3.536 681 HB VAL 89 HB VAL 89 3.488 9.234 3.602 682 1HG1 VAL 89 1HG1 VAL 89 2.025 11.070 2.871 683 2HG1 VAL 89 2HG1 VAL 89 3.431 11.894 2.200 684 3HG1 VAL 89 3HG1 VAL 89 3.323 11.607 3.935 685 1HG2 VAL 89 1HG2 VAL 89 3.852 8.258 1.376 686 2HG2 VAL 89 2HG2 VAL 89 3.586 9.844 0.653 687 3HG2 VAL 89 3HG2 VAL 89 2.277 9.039 1.516 688 H LYS 90 H LYS 90 5.832 11.710 1.012 689 HA LYS 90 HA LYS 90 6.014 10.120 -1.254 690 1HB LYS 90 1HB LYS 90 6.539 12.841 -0.554 691 2HB LYS 90 2HB LYS 90 7.863 12.253 -1.548 692 1HG LYS 90 1HG LYS 90 6.505 11.884 -3.377 693 2HG LYS 90 2HG LYS 90 5.045 11.772 -2.397 694 1HD LYS 90 1HD LYS 90 4.794 14.036 -2.248 695 2HD LYS 90 2HD LYS 90 6.522 14.344 -2.423 696 1HE LYS 90 1HE LYS 90 6.379 13.753 -4.796 697 2HE LYS 90 2HE LYS 90 4.652 13.450 -4.615 698 1HZ LYS 90 1HZ LYS 90 5.116 15.647 -5.542 699 2HZ LYS 90 2HZ LYS 90 5.981 16.065 -4.149 700 3HZ LYS 90 3HZ LYS 90 4.320 15.759 -4.054 701 H GLY 91 H GLY 91 8.400 10.827 1.203 702 1HA GLY 91 1HA GLY 91 10.543 9.556 -0.291 703 2HA GLY 91 2HA GLY 91 10.660 10.251 1.320 704 H ILE 92 H ILE 92 8.186 8.692 2.084 705 HA ILE 92 HA ILE 92 9.528 6.443 3.181 706 HB ILE 92 HB ILE 92 6.564 6.950 3.026 707 1HG1 ILE 92 1HG1 ILE 92 8.555 7.667 5.120 708 2HG1 ILE 92 2HG1 ILE 92 7.675 8.797 4.111 709 1HG2 ILE 92 1HG2 ILE 92 7.131 4.620 3.518 710 2HG2 ILE 92 2HG2 ILE 92 6.381 5.418 4.901 711 3HG2 ILE 92 3HG2 ILE 92 8.126 5.165 4.869 712 1HD1 ILE 92 1HD1 ILE 92 6.711 8.761 6.307 713 2HD1 ILE 92 2HD1 ILE 92 6.543 7.006 6.249 714 3HD1 ILE 92 3HD1 ILE 92 5.581 8.019 5.172 715 H ALA 93 H ALA 93 7.565 6.965 0.343 716 HA ALA 93 HA ALA 93 6.926 4.278 -0.229 717 1HB ALA 93 1HB ALA 93 5.776 6.163 -1.277 718 2HB ALA 93 2HB ALA 93 6.435 5.062 -2.487 719 3HB ALA 93 3HB ALA 93 7.253 6.587 -2.142 720 H ASN 94 H ASN 94 9.836 6.093 -0.587 721 HA ASN 94 HA ASN 94 11.013 4.378 -2.575 722 1HB ASN 94 1HB ASN 94 11.691 6.707 -2.470 723 2HB ASN 94 2HB ASN 94 12.214 6.513 -0.800 724 1HD2 ASN 94 1HD2 ASN 94 14.305 7.138 -1.236 725 2HD2 ASN 94 2HD2 ASN 94 15.412 6.148 -2.117 726 H GLU 95 H GLU 95 11.037 4.635 0.919 727 HA GLU 95 HA GLU 95 13.232 2.958 1.449 728 1HB GLU 95 1HB GLU 95 11.834 4.510 3.020 729 2HB GLU 95 2HB GLU 95 10.841 3.079 3.261 730 1HG GLU 95 1HG GLU 95 13.810 3.168 3.741 731 2HG GLU 95 2HG GLU 95 12.594 3.437 4.987 732 H CYS 96 H CYS 96 9.899 2.284 0.663 733 HA CYS 96 HA CYS 96 10.014 -0.490 1.426 734 1HB CYS 96 1HB CYS 96 7.960 0.801 -0.364 735 2HB CYS 96 2HB CYS 96 7.774 -0.631 0.642 736 H ILE 97 H ILE 97 10.824 1.348 -1.372 737 HA ILE 97 HA ILE 97 10.556 -0.786 -3.270 738 HB ILE 97 HB ILE 97 12.063 1.823 -3.466 739 1HG1 ILE 97 1HG1 ILE 97 9.402 1.014 -4.658 740 2HG1 ILE 97 2HG1 ILE 97 9.579 1.971 -3.193 741 1HG2 ILE 97 1HG2 ILE 97 12.069 1.404 -5.896 742 2HG2 ILE 97 2HG2 ILE 97 11.391 -0.197 -5.603 743 3HG2 ILE 97 3HG2 ILE 97 13.001 0.203 -5.004 744 1HD1 ILE 97 1HD1 ILE 97 10.500 2.749 -5.948 745 2HD1 ILE 97 2HD1 ILE 97 10.727 3.708 -4.485 746 3HD1 ILE 97 3HD1 ILE 97 9.101 3.389 -5.087 747 H GLU 98 H GLU 98 13.293 0.720 -1.576 748 HA GLU 98 HA GLU 98 15.292 -0.898 -2.744 749 1HB GLU 98 1HB GLU 98 15.334 0.501 -0.062 750 2HB GLU 98 2HB GLU 98 16.736 -0.084 -0.947 751 1HG GLU 98 1HG GLU 98 16.284 1.503 -2.738 752 2HG GLU 98 2HG GLU 98 14.857 2.077 -1.874 753 H ASN 99 H ASN 99 13.151 -1.349 -0.031 754 HA ASN 99 HA ASN 99 14.593 -3.602 1.037 755 1HB ASN 99 1HB ASN 99 13.383 -2.323 2.627 756 2HB ASN 99 2HB ASN 99 11.914 -2.364 1.656 757 1HD2 ASN 99 1HD2 ASN 99 10.635 -4.186 1.664 758 2HD2 ASN 99 2HD2 ASN 99 10.814 -5.443 2.835 759 H ALA 100 H ALA 100 11.482 -3.173 -0.641 760 HA ALA 100 HA ALA 100 10.786 -5.877 -0.786 761 1HB ALA 100 1HB ALA 100 9.220 -5.220 -2.522 762 2HB ALA 100 2HB ALA 100 10.056 -3.678 -2.715 763 3HB ALA 100 3HB ALA 100 9.218 -4.044 -1.207 764 H LYS 101 H LYS 101 13.152 -4.106 -2.544 765 HA LYS 101 HA LYS 101 13.203 -5.762 -4.867 766 1HB LYS 101 1HB LYS 101 14.701 -3.482 -3.840 767 2HB LYS 101 2HB LYS 101 15.729 -4.644 -4.666 768 1HG LYS 101 1HG LYS 101 13.200 -3.697 -5.947 769 2HG LYS 101 2HG LYS 101 14.659 -2.707 -6.003 770 1HD LYS 101 1HD LYS 101 14.786 -3.936 -7.966 771 2HD LYS 101 2HD LYS 101 15.798 -4.867 -6.862 772 1HE LYS 101 1HE LYS 101 14.232 -6.236 -8.238 773 2HE LYS 101 2HE LYS 101 14.058 -6.465 -6.500 774 1HZ LYS 101 1HZ LYS 101 12.323 -4.758 -8.204 775 2HZ LYS 101 2HZ LYS 101 12.151 -4.980 -6.537 776 3HZ LYS 101 3HZ LYS 101 11.914 -6.282 -7.592 777 H GLY 102 H GLY 102 14.375 -7.542 -5.325 778 1HA GLY 102 1HA GLY 102 16.482 -8.795 -4.792 779 2HA GLY 102 2HA GLY 102 15.974 -8.676 -3.113 780 H GLU 103 H GLU 103 13.219 -9.027 -4.840 781 HA GLU 103 HA GLU 103 13.307 -11.967 -4.725 782 1HB GLU 103 1HB GLU 103 11.055 -10.145 -3.866 783 2HB GLU 103 2HB GLU 103 10.920 -11.891 -4.000 784 1HG GLU 103 1HG GLU 103 12.811 -10.431 -2.169 785 2HG GLU 103 2HG GLU 103 11.269 -11.140 -1.694 786 H THR 104 H THR 104 11.094 -12.765 -5.840 787 HA THR 104 HA THR 104 10.727 -11.271 -8.340 788 HB THR 104 HB THR 104 10.777 -13.395 -9.622 789 HG1 THR 104 1HG THR 104 11.056 -14.420 -7.095 790 1HG2 THR 104 1HG2 THR 104 13.314 -12.790 -8.098 791 2HG2 THR 104 2HG2 THR 104 12.759 -11.963 -9.553 792 3HG2 THR 104 3HG2 THR 104 13.214 -13.665 -9.626 793 H ASP 105 H ASP 105 9.514 -13.573 -5.997 794 HA ASP 105 HA ASP 105 7.019 -14.022 -7.320 795 1HB ASP 105 1HB ASP 105 7.907 -15.674 -5.759 796 2HB ASP 105 2HB ASP 105 7.835 -14.504 -4.448 797 H GLU 106 H GLU 106 5.100 -12.987 -7.090 798 HA GLU 106 HA GLU 106 4.990 -10.324 -6.412 799 1HB GLU 106 1HB GLU 106 3.299 -11.530 -7.761 800 2HB GLU 106 2HB GLU 106 2.681 -12.267 -6.286 801 1HG GLU 106 1HG GLU 106 1.986 -10.144 -5.439 802 2HG GLU 106 2HG GLU 106 2.779 -9.300 -6.768 803 H CYS 107 H CYS 107 3.351 -12.830 -4.440 804 HA CYS 107 HA CYS 107 2.843 -11.252 -2.239 805 1HB CYS 107 1HB CYS 107 3.329 -14.214 -2.464 806 2HB CYS 107 2HB CYS 107 2.882 -13.455 -0.941 807 H ASN 108 H ASN 108 5.837 -12.904 -3.065 808 HA ASN 108 HA ASN 108 7.081 -12.615 -0.535 809 1HB ASN 108 1HB ASN 108 8.102 -13.122 -3.313 810 2HB ASN 108 2HB ASN 108 9.226 -12.827 -1.990 811 1HD2 ASN 108 1HD2 ASN 108 9.468 -14.345 -0.388 812 2HD2 ASN 108 2HD2 ASN 108 8.833 -15.947 -0.514 813 H ILE 109 H ILE 109 7.109 -10.626 -3.463 814 HA ILE 109 HA ILE 109 8.912 -8.679 -2.402 815 HB ILE 109 HB ILE 109 7.011 -8.473 -4.743 816 1HG1 ILE 109 1HG1 ILE 109 9.979 -9.038 -4.745 817 2HG1 ILE 109 2HG1 ILE 109 8.748 -10.291 -4.856 818 1HG2 ILE 109 1HG2 ILE 109 8.472 -6.634 -5.483 819 2HG2 ILE 109 2HG2 ILE 109 9.360 -6.751 -3.964 820 3HG2 ILE 109 3HG2 ILE 109 7.661 -6.279 -3.958 821 1HD1 ILE 109 1HD1 ILE 109 7.937 -9.317 -6.933 822 2HD1 ILE 109 2HD1 ILE 109 9.649 -9.731 -7.039 823 3HD1 ILE 109 3HD1 ILE 109 9.158 -8.050 -6.818 824 H GLY 110 H GLY 110 5.439 -9.088 -2.496 825 1HA GLY 110 1HA GLY 110 4.744 -6.432 -1.796 826 2HA GLY 110 2HA GLY 110 3.714 -7.844 -1.641 827 H ASN 111 H ASN 111 4.771 -9.394 0.223 828 HA ASN 111 HA ASN 111 4.108 -8.258 2.633 829 1HB ASN 111 1HB ASN 111 4.330 -10.662 2.396 830 2HB ASN 111 2HB ASN 111 6.062 -10.511 2.113 831 1HD2 ASN 111 1HD2 ASN 111 4.187 -8.745 4.525 832 2HD2 ASN 111 2HD2 ASN 111 4.946 -9.465 5.895 833 H LYS 112 H LYS 112 7.048 -7.947 0.864 834 HA LYS 112 HA LYS 112 8.554 -6.891 3.106 835 1HB LYS 112 1HB LYS 112 9.214 -7.111 0.166 836 2HB LYS 112 2HB LYS 112 10.326 -6.541 1.399 837 1HG LYS 112 1HG LYS 112 10.300 -8.697 2.482 838 2HG LYS 112 2HG LYS 112 9.080 -9.281 1.348 839 1HD LYS 112 1HD LYS 112 11.209 -10.119 0.645 840 2HD LYS 112 2HD LYS 112 10.707 -8.874 -0.501 841 1HE LYS 112 1HE LYS 112 12.141 -7.253 0.653 842 2HE LYS 112 2HE LYS 112 12.652 -8.511 1.777 843 1HZ LYS 112 1HZ LYS 112 13.586 -9.738 -0.089 844 2HZ LYS 112 2HZ LYS 112 14.278 -8.199 0.028 845 3HZ LYS 112 3HZ LYS 112 13.112 -8.514 -1.158 846 H TYR 113 H TYR 113 7.126 -5.730 0.093 847 HA TYR 113 HA TYR 113 7.913 -3.038 0.336 848 1HB TYR 113 1HB TYR 113 7.093 -4.129 -1.760 849 2HB TYR 113 2HB TYR 113 5.467 -4.108 -1.086 850 HD1 TYR 113 1HD TYR 113 4.181 -2.080 -1.013 851 HD2 TYR 113 2HD TYR 113 8.202 -2.030 -2.402 852 HE1 TYR 113 1HE TYR 113 3.837 0.185 -1.912 853 HE2 TYR 113 2HE TYR 113 7.870 0.235 -3.302 854 HH TYR 113 HH TYR 113 5.170 2.147 -2.519 855 H THR 114 H THR 114 4.693 -4.484 0.916 856 HA THR 114 HA THR 114 3.463 -2.254 1.993 857 HB THR 114 HB THR 114 2.213 -4.276 1.408 858 HG1 THR 114 1HG THR 114 1.025 -3.069 2.770 859 1HG2 THR 114 1HG2 THR 114 3.237 -5.512 3.957 860 2HG2 THR 114 2HG2 THR 114 3.930 -5.864 2.377 861 3HG2 THR 114 3HG2 THR 114 2.245 -6.263 2.708 862 H ASP 115 H ASP 115 5.263 -4.807 3.700 863 HA ASP 115 HA ASP 115 4.970 -4.157 6.302 864 1HB ASP 115 1HB ASP 115 6.428 -5.963 5.551 865 2HB ASP 115 2HB ASP 115 7.587 -4.792 4.923 866 H CYS 116 H CYS 116 7.328 -2.613 4.138 867 HA CYS 116 HA CYS 116 8.294 -0.747 6.010 868 1HB CYS 116 1HB CYS 116 9.744 -0.891 4.257 869 2HB CYS 116 2HB CYS 116 8.461 -1.123 3.075 870 H TYR 117 H TYR 117 5.766 -0.493 3.534 871 HA TYR 117 HA TYR 117 5.222 2.227 3.790 872 1HB TYR 117 1HB TYR 117 4.191 0.115 2.321 873 2HB TYR 117 2HB TYR 117 2.831 0.618 3.316 874 HD1 TYR 117 1HD TYR 117 1.452 1.520 1.611 875 HD2 TYR 117 2HD TYR 117 5.463 2.885 2.015 876 HE1 TYR 117 1HE TYR 117 0.982 3.354 0.042 877 HE2 TYR 117 2HE TYR 117 5.003 4.723 0.452 878 HH TYR 117 HH TYR 117 3.425 5.250 -1.355 879 H ILE 118 H ILE 118 3.956 -0.518 5.623 880 HA ILE 118 HA ILE 118 2.220 1.173 7.199 881 HB ILE 118 HB ILE 118 2.921 -1.732 7.640 882 1HG1 ILE 118 1HG1 ILE 118 0.608 -0.481 6.139 883 2HG1 ILE 118 2HG1 ILE 118 1.928 -1.400 5.427 884 1HG2 ILE 118 1HG2 ILE 118 0.636 -0.054 8.676 885 2HG2 ILE 118 2HG2 ILE 118 2.007 -0.645 9.617 886 3HG2 ILE 118 3HG2 ILE 118 0.844 -1.785 8.943 887 1HD1 ILE 118 1HD1 ILE 118 -0.077 -2.744 5.583 888 2HD1 ILE 118 2HD1 ILE 118 -0.151 -2.465 7.322 889 3HD1 ILE 118 3HD1 ILE 118 1.181 -3.391 6.635 890 H GLU 119 H GLU 119 5.453 0.049 7.333 891 HA GLU 119 HA GLU 119 5.848 0.068 10.127 892 1HB GLU 119 1HB GLU 119 7.393 -0.976 8.482 893 2HB GLU 119 2HB GLU 119 7.877 0.631 7.959 894 1HG GLU 119 1HG GLU 119 8.750 1.111 10.173 895 2HG GLU 119 2HG GLU 119 8.229 -0.477 10.735 896 H LYS 120 H LYS 120 6.791 2.505 7.692 897 HA LYS 120 HA LYS 120 7.191 4.476 9.776 898 1HB LYS 120 1HB LYS 120 7.525 4.617 6.785 899 2HB LYS 120 2HB LYS 120 7.911 5.930 7.892 900 1HG LYS 120 1HG LYS 120 9.535 4.437 9.019 901 2HG LYS 120 2HG LYS 120 9.209 3.219 7.783 902 1HD LYS 120 1HD LYS 120 9.952 4.786 6.053 903 2HD LYS 120 2HD LYS 120 10.283 5.995 7.295 904 1HE LYS 120 1HE LYS 120 11.607 3.293 7.071 905 2HE LYS 120 2HE LYS 120 12.320 4.830 6.580 906 1HZ LYS 120 1HZ LYS 120 12.176 5.578 8.882 907 2HZ LYS 120 2HZ LYS 120 13.106 4.171 8.754 908 3HZ LYS 120 3HZ LYS 120 11.521 4.086 9.343 909 H LEU 121 H LEU 121 5.187 4.293 6.819 910 HA LEU 121 HA LEU 121 3.698 6.634 7.658 911 1HB LEU 121 1HB LEU 121 4.386 6.263 5.299 912 2HB LEU 121 2HB LEU 121 3.292 4.894 5.232 913 HG LEU 121 HG LEU 121 1.391 6.397 5.646 914 1HD1 LEU 121 1HD1 LEU 121 3.463 8.580 5.471 915 2HD1 LEU 121 2HD1 LEU 121 2.521 8.141 6.897 916 3HD1 LEU 121 3HD1 LEU 121 1.717 8.825 5.485 917 1HD2 LEU 121 1HD2 LEU 121 3.138 7.194 3.322 918 2HD2 LEU 121 2HD2 LEU 121 1.405 7.496 3.458 919 3HD2 LEU 121 3HD2 LEU 121 2.008 5.841 3.362 920 H PHE 122 H PHE 122 3.380 3.306 8.197 921 HA PHE 122 HA PHE 122 1.726 2.055 9.139 922 1HB PHE 122 1HB PHE 122 1.301 3.671 10.777 923 2HB PHE 122 2HB PHE 122 0.658 4.823 9.617 924 HD1 PHE 122 1HD PHE 122 -0.117 1.398 10.907 925 HD2 PHE 122 2HD PHE 122 -1.589 5.182 9.627 926 HE1 PHE 122 1HE PHE 122 -2.410 0.689 11.455 927 HE2 PHE 122 2HE PHE 122 -3.882 4.481 10.174 928 HZ PHE 122 HZ PHE 122 -4.295 2.233 11.086 929 H SER 123 H SER 123 1.324 3.848 6.351 930 HA SER 123 HA SER 123 -1.350 3.274 5.658 931 1HB SER 123 1HB SER 123 -0.597 3.738 3.323 932 2HB SER 123 2HB SER 123 -0.115 4.988 4.470 933 HG SER 123 HG SER 123 1.918 3.645 4.586 934 1H4 TSD 124 1H4 TSP 124 -5.390 0.447 1.299 935 2H4 TSD 124 2H4 TSP 124 -4.896 2.049 1.796 936 3H4 TSD 124 3H4 TSP 124 -4.389 0.652 2.717 937 1H5 TSD 124 1H5 TSP 124 -3.161 -0.876 -0.947 938 2H5 TSD 124 2H5 TSP 124 -3.568 -1.481 0.641 939 3H5 TSD 124 3H5 TSP 124 -1.901 -1.154 0.233 940 1H6 TSD 124 1H6 TSP 124 -1.306 2.352 1.334 941 2H6 TSD 124 2H6 TSP 124 -0.836 0.676 1.484 942 3H6 TSD 124 3H6 TSP 124 -1.864 1.406 2.694 943 1D3 TSD 124 1D3 TSP 124 -4.228 1.795 -1.198 944 2D3 TSD 124 2D3 TSP 124 -3.274 3.008 -0.369 945 1D2 TSD 124 1D2 TSP 124 -2.244 0.897 -2.286 946 2D2 TSD 124 2D2 TSP 124 -1.204 1.976 -1.357 Start of MODEL 3 1 HA ILE 1 HA ILE 1 1.728 12.881 10.601 2 HB ILE 1 HB ILE 1 0.889 11.879 8.541 3 1HG1 ILE 1 1HG1 ILE 1 2.074 9.275 9.522 4 2HG1 ILE 1 2HG1 ILE 1 0.355 9.646 9.568 5 1HG2 ILE 1 1HG2 ILE 1 3.036 11.268 7.535 6 2HG2 ILE 1 2HG2 ILE 1 3.733 11.081 9.145 7 3HG2 ILE 1 3HG2 ILE 1 3.190 12.667 8.599 8 1HD1 ILE 1 1HD1 ILE 1 2.048 9.507 7.083 9 2HD1 ILE 1 2HD1 ILE 1 0.315 9.827 7.147 10 3HD1 ILE 1 3HD1 ILE 1 0.941 8.258 7.652 11 H ASP 2 H ASP 2 -0.655 12.620 9.566 12 HA ASP 2 HA ASP 2 -2.330 12.021 11.838 13 1HB ASP 2 1HB ASP 2 -3.003 13.069 9.079 14 2HB ASP 2 2HB ASP 2 -4.158 12.913 10.399 15 H GLN 3 H GLN 3 -3.179 10.098 12.211 16 HA GLN 3 HA GLN 3 -3.029 7.944 10.391 17 1HB GLN 3 1HB GLN 3 -3.033 7.701 12.854 18 2HB GLN 3 2HB GLN 3 -4.723 8.186 12.883 19 1HG GLN 3 1HG GLN 3 -5.201 6.221 11.393 20 2HG GLN 3 2HG GLN 3 -3.543 5.698 11.681 21 1HE2 GLN 3 1HE2 GLN 3 -3.490 6.589 14.440 22 2HE2 GLN 3 2HE2 GLN 3 -4.470 5.483 15.331 23 H ASP 4 H ASP 4 -5.302 10.462 10.768 24 HA ASP 4 HA ASP 4 -7.588 9.072 9.758 25 1HB ASP 4 1HB ASP 4 -8.575 11.345 9.528 26 2HB ASP 4 2HB ASP 4 -7.920 11.034 11.134 27 H THR 5 H THR 5 -4.876 10.698 8.334 28 HA THR 5 HA THR 5 -6.119 10.985 5.728 29 HB THR 5 HB THR 5 -3.953 11.794 4.966 30 HG1 THR 5 1HG THR 5 -2.628 11.853 7.317 31 1HG2 THR 5 1HG2 THR 5 -4.651 12.942 7.672 32 2HG2 THR 5 2HG2 THR 5 -5.417 13.374 6.144 33 3HG2 THR 5 3HG2 THR 5 -3.715 13.748 6.414 34 H VAL 6 H VAL 6 -4.384 8.672 7.519 35 HA VAL 6 HA VAL 6 -3.381 7.199 5.253 36 HB VAL 6 HB VAL 6 -3.526 6.376 8.154 37 1HG1 VAL 6 1HG1 VAL 6 -1.759 4.815 7.578 38 2HG1 VAL 6 2HG1 VAL 6 -1.806 5.360 5.902 39 3HG1 VAL 6 3HG1 VAL 6 -3.196 4.524 6.598 40 1HG2 VAL 6 1HG2 VAL 6 -1.303 7.749 6.646 41 2HG2 VAL 6 2HG2 VAL 6 -1.187 7.116 8.288 42 3HG2 VAL 6 3HG2 VAL 6 -2.285 8.449 7.931 43 H VAL 7 H VAL 7 -5.574 6.317 7.921 44 HA VAL 7 HA VAL 7 -6.552 3.998 6.661 45 HB VAL 7 HB VAL 7 -7.876 5.594 8.852 46 1HG1 VAL 7 1HG1 VAL 7 -9.381 3.983 7.833 47 2HG1 VAL 7 2HG1 VAL 7 -8.915 3.446 9.448 48 3HG1 VAL 7 3HG1 VAL 7 -8.178 2.707 8.025 49 1HG2 VAL 7 1HG2 VAL 7 -5.882 3.336 9.023 50 2HG2 VAL 7 2HG2 VAL 7 -6.730 4.064 10.388 51 3HG2 VAL 7 3HG2 VAL 7 -5.588 5.024 9.449 52 H ALA 8 H ALA 8 -8.101 7.202 7.075 53 HA ALA 8 HA ALA 8 -10.495 6.510 5.780 54 1HB ALA 8 1HB ALA 8 -9.314 9.272 5.899 55 2HB ALA 8 2HB ALA 8 -10.138 8.494 7.249 56 3HB ALA 8 3HB ALA 8 -11.014 8.828 5.756 57 H LYS 9 H LYS 9 -7.405 7.522 4.434 58 HA LYS 9 HA LYS 9 -8.635 7.992 1.836 59 1HB LYS 9 1HB LYS 9 -5.767 8.161 2.757 60 2HB LYS 9 2HB LYS 9 -6.276 8.449 1.100 61 1HG LYS 9 1HG LYS 9 -7.182 10.012 3.511 62 2HG LYS 9 2HG LYS 9 -5.977 10.532 2.332 63 1HD LYS 9 1HD LYS 9 -8.867 9.915 1.709 64 2HD LYS 9 2HD LYS 9 -8.202 11.533 1.936 65 1HE LYS 9 1HE LYS 9 -6.680 11.150 0.040 66 2HE LYS 9 2HE LYS 9 -7.399 9.558 -0.200 67 1HZ LYS 9 1HZ LYS 9 -8.352 11.167 -1.709 68 2HZ LYS 9 2HZ LYS 9 -8.818 12.157 -0.420 69 3HZ LYS 9 3HZ LYS 9 -9.531 10.637 -0.616 70 H TYR 10 H TYR 10 -5.997 5.867 3.013 71 HA TYR 10 HA TYR 10 -5.742 4.318 0.752 72 1HB TYR 10 1HB TYR 10 -5.361 3.654 3.660 73 2HB TYR 10 2HB TYR 10 -5.069 2.454 2.404 74 HD1 TYR 10 1HD TYR 10 -3.828 4.074 0.287 75 HD2 TYR 10 2HD TYR 10 -3.253 4.185 4.502 76 HE1 TYR 10 1HE TYR 10 -1.565 4.977 -0.051 77 HE2 TYR 10 2HE TYR 10 -0.989 5.091 4.174 78 HH TYR 10 HH TYR 10 0.098 6.291 1.191 79 H MET 11 H MET 11 -8.366 4.424 2.950 80 HA MET 11 HA MET 11 -9.445 1.852 2.172 81 1HB MET 11 1HB MET 11 -10.294 4.044 4.026 82 2HB MET 11 2HB MET 11 -11.480 2.860 3.499 83 1HG MET 11 1HG MET 11 -8.900 2.274 4.933 84 2HG MET 11 2HG MET 11 -10.518 2.241 5.635 85 1HE MET 11 1HE MET 11 -12.201 0.929 3.263 86 2HE MET 11 2HE MET 11 -12.387 0.463 4.954 87 3HE MET 11 3HE MET 11 -12.149 -0.775 3.718 88 H GLU 12 H GLU 12 -10.676 5.198 1.986 89 HA GLU 12 HA GLU 12 -12.679 4.572 0.072 90 1HB GLU 12 1HB GLU 12 -12.964 6.450 1.557 91 2HB GLU 12 2HB GLU 12 -11.494 7.205 0.957 92 1HG GLU 12 1HG GLU 12 -12.536 7.499 -1.232 93 2HG GLU 12 2HG GLU 12 -14.007 6.740 -0.629 94 H TYR 13 H TYR 13 -9.609 6.336 -0.208 95 HA TYR 13 HA TYR 13 -9.656 6.937 -2.899 96 1HB TYR 13 1HB TYR 13 -7.974 7.645 -1.122 97 2HB TYR 13 2HB TYR 13 -7.166 6.112 -1.409 98 HD1 TYR 13 1HD TYR 13 -7.720 9.481 -2.625 99 HD2 TYR 13 2HD TYR 13 -6.120 5.666 -3.618 100 HE1 TYR 13 1HE TYR 13 -6.478 10.492 -4.491 101 HE2 TYR 13 2HE TYR 13 -4.874 6.668 -5.484 102 HH TYR 13 HH TYR 13 -4.953 8.632 -6.911 103 H LEU 14 H LEU 14 -9.281 3.848 -1.407 104 HA LEU 14 HA LEU 14 -8.776 2.672 -4.053 105 1HB LEU 14 1HB LEU 14 -7.485 1.773 -1.478 106 2HB LEU 14 2HB LEU 14 -7.300 1.001 -3.042 107 HG LEU 14 HG LEU 14 -6.439 3.837 -2.489 108 1HD1 LEU 14 1HD1 LEU 14 -4.149 2.926 -2.390 109 2HD1 LEU 14 2HD1 LEU 14 -4.821 1.296 -2.403 110 3HD1 LEU 14 3HD1 LEU 14 -5.160 2.379 -1.053 111 1HD2 LEU 14 1HD2 LEU 14 -6.842 3.358 -4.828 112 2HD2 LEU 14 2HD2 LEU 14 -5.837 1.912 -4.730 113 3HD2 LEU 14 3HD2 LEU 14 -5.109 3.507 -4.532 114 H MET 15 H MET 15 -11.210 3.017 -2.361 115 HA MET 15 HA MET 15 -11.893 0.474 -1.289 116 1HB MET 15 1HB MET 15 -13.007 2.337 -0.366 117 2HB MET 15 2HB MET 15 -13.479 2.939 -1.948 118 1HG MET 15 1HG MET 15 -15.059 1.180 -2.221 119 2HG MET 15 2HG MET 15 -14.499 0.378 -0.755 120 1HE MET 15 1HE MET 15 -16.330 3.545 -2.213 121 2HE MET 15 2HE MET 15 -15.000 4.234 -1.282 122 3HE MET 15 3HE MET 15 -16.664 4.455 -0.740 123 HA PRO 16 HA PRO 16 -14.560 0.083 -5.368 124 1HB PRO 16 1HB PRO 16 -13.467 1.353 -7.540 125 2HB PRO 16 2HB PRO 16 -14.768 2.024 -6.551 126 1HG PRO 16 1HG PRO 16 -11.827 2.569 -6.433 127 2HG PRO 16 2HG PRO 16 -13.181 3.711 -6.340 128 1HD PRO 16 1HD PRO 16 -11.881 2.914 -4.142 129 2HD PRO 16 2HD PRO 16 -13.637 3.179 -4.126 130 H ASP 17 H ASP 17 -11.085 0.273 -5.210 131 HA ASP 17 HA ASP 17 -10.838 -1.943 -7.117 132 1HB ASP 17 1HB ASP 17 -8.394 -1.444 -7.040 133 2HB ASP 17 2HB ASP 17 -9.372 -0.101 -7.622 134 H ILE 18 H ILE 18 -11.096 -1.427 -3.833 135 HA ILE 18 HA ILE 18 -9.284 -3.538 -3.022 136 HB ILE 18 HB ILE 18 -10.924 -1.519 -1.637 137 1HG1 ILE 18 1HG1 ILE 18 -8.442 -1.452 -1.907 138 2HG1 ILE 18 2HG1 ILE 18 -8.978 -1.346 -0.233 139 1HG2 ILE 18 1HG2 ILE 18 -10.872 -2.789 0.516 140 2HG2 ILE 18 2HG2 ILE 18 -10.488 -4.237 -0.414 141 3HG2 ILE 18 3HG2 ILE 18 -12.020 -3.402 -0.673 142 1HD1 ILE 18 1HD1 ILE 18 -7.897 -3.805 -1.588 143 2HD1 ILE 18 2HD1 ILE 18 -8.433 -3.701 0.088 144 3HD1 ILE 18 3HD1 ILE 18 -7.033 -2.775 -0.448 145 H MET 19 H MET 19 -12.789 -3.037 -3.241 146 HA MET 19 HA MET 19 -13.732 -5.332 -2.085 147 1HB MET 19 1HB MET 19 -14.815 -4.097 -4.623 148 2HB MET 19 2HB MET 19 -15.693 -5.150 -3.526 149 1HG MET 19 1HG MET 19 -15.500 -3.479 -1.760 150 2HG MET 19 2HG MET 19 -14.614 -2.423 -2.859 151 1HE MET 19 1HE MET 19 -17.124 -1.404 -1.283 152 2HE MET 19 2HE MET 19 -18.037 -0.568 -2.538 153 3HE MET 19 3HE MET 19 -16.282 -0.404 -2.467 154 HA PRO 20 HA PRO 20 -13.180 -7.691 -6.380 155 1HB PRO 20 1HB PRO 20 -10.742 -6.252 -7.294 156 2HB PRO 20 2HB PRO 20 -12.088 -6.895 -8.241 157 1HG PRO 20 1HG PRO 20 -11.872 -4.284 -7.837 158 2HG PRO 20 2HG PRO 20 -13.458 -5.075 -7.767 159 1HD PRO 20 1HD PRO 20 -11.698 -4.160 -5.526 160 2HD PRO 20 2HD PRO 20 -13.459 -4.039 -5.697 161 H CYS 21 H CYS 21 -10.170 -6.318 -5.031 162 HA CYS 21 HA CYS 21 -8.605 -8.614 -5.215 163 1HB CYS 21 1HB CYS 21 -8.414 -6.455 -3.107 164 2HB CYS 21 2HB CYS 21 -7.134 -7.565 -3.585 165 H ALA 22 H ALA 22 -10.663 -7.509 -2.540 166 HA ALA 22 HA ALA 22 -10.008 -9.451 -0.663 167 1HB ALA 22 1HB ALA 22 -11.436 -7.456 -0.253 168 2HB ALA 22 2HB ALA 22 -12.105 -8.951 0.403 169 3HB ALA 22 3HB ALA 22 -12.753 -8.276 -1.091 170 H ASP 23 H ASP 23 -12.506 -9.561 -3.191 171 HA ASP 23 HA ASP 23 -13.282 -12.244 -2.517 172 1HB ASP 23 1HB ASP 23 -13.922 -10.539 -4.934 173 2HB ASP 23 2HB ASP 23 -14.662 -12.098 -4.579 174 H GLU 24 H GLU 24 -10.790 -10.824 -4.308 175 HA GLU 24 HA GLU 24 -10.408 -12.676 -6.370 176 1HB GLU 24 1HB GLU 24 -9.268 -10.393 -5.950 177 2HB GLU 24 2HB GLU 24 -8.125 -11.308 -4.980 178 1HG GLU 24 1HG GLU 24 -7.250 -10.997 -7.198 179 2HG GLU 24 2HG GLU 24 -7.606 -12.702 -6.932 180 H LEU 25 H LEU 25 -8.999 -12.607 -3.068 181 HA LEU 25 HA LEU 25 -7.995 -15.335 -3.571 182 1HB LEU 25 1HB LEU 25 -7.365 -13.694 -1.141 183 2HB LEU 25 2HB LEU 25 -6.416 -14.975 -1.880 184 HG LEU 25 HG LEU 25 -6.795 -12.189 -2.987 185 1HD1 LEU 25 1HD1 LEU 25 -5.360 -12.248 -1.024 186 2HD1 LEU 25 2HD1 LEU 25 -4.422 -11.918 -2.479 187 3HD1 LEU 25 3HD1 LEU 25 -4.390 -13.526 -1.756 188 1HD2 LEU 25 1HD2 LEU 25 -6.573 -13.838 -4.770 189 2HD2 LEU 25 2HD2 LEU 25 -5.114 -14.473 -4.011 190 3HD2 LEU 25 3HD2 LEU 25 -5.132 -12.829 -4.652 191 H HIS 26 H HIS 26 -9.841 -13.433 -1.212 192 HA HIS 26 HA HIS 26 -11.678 -15.412 -0.586 193 1HB HIS 26 1HB HIS 26 -10.687 -15.681 1.910 194 2HB HIS 26 2HB HIS 26 -10.395 -16.843 0.623 195 HD1 HIS 26 1HD HIS 26 -8.032 -17.467 0.367 196 HD2 HIS 26 2HD HIS 26 -8.431 -13.656 1.971 197 HE1 HIS 26 1HE HIS 26 -5.689 -16.688 0.842 198 HE2 HIS 26 2HE HIS 26 -5.964 -14.421 1.903 199 H ILE 27 H ILE 27 -9.716 -13.106 1.228 200 HA ILE 27 HA ILE 27 -12.020 -11.381 1.694 201 HB ILE 27 HB ILE 27 -11.162 -11.255 4.169 202 1HG1 ILE 27 1HG1 ILE 27 -10.604 -14.155 3.863 203 2HG1 ILE 27 2HG1 ILE 27 -9.345 -13.056 3.304 204 1HG2 ILE 27 1HG2 ILE 27 -12.778 -12.979 4.826 205 2HG2 ILE 27 2HG2 ILE 27 -12.800 -13.587 3.171 206 3HG2 ILE 27 3HG2 ILE 27 -13.403 -11.967 3.524 207 1HD1 ILE 27 1HD1 ILE 27 -10.556 -13.070 6.064 208 2HD1 ILE 27 2HD1 ILE 27 -9.242 -12.036 5.503 209 3HD1 ILE 27 3HD1 ILE 27 -9.004 -13.780 5.617 210 H SER 28 H SER 28 -11.314 -9.285 2.699 211 HA SER 28 HA SER 28 -8.797 -8.462 1.536 212 1HB SER 28 1HB SER 28 -9.488 -6.213 1.984 213 2HB SER 28 2HB SER 28 -10.904 -7.079 1.391 214 HG SER 28 HG SER 28 -10.436 -5.952 3.846 215 H GLU 29 H GLU 29 -7.070 -7.546 2.658 216 HA GLU 29 HA GLU 29 -6.380 -8.738 5.093 217 1HB GLU 29 1HB GLU 29 -4.576 -6.927 5.127 218 2HB GLU 29 2HB GLU 29 -4.599 -8.020 3.753 219 1HG GLU 29 1HG GLU 29 -4.192 -5.814 2.959 220 2HG GLU 29 2HG GLU 29 -5.814 -6.290 2.459 221 H ASP 30 H ASP 30 -8.274 -5.955 4.411 222 HA ASP 30 HA ASP 30 -7.919 -4.683 6.968 223 1HB ASP 30 1HB ASP 30 -8.506 -3.402 4.923 224 2HB ASP 30 2HB ASP 30 -10.061 -4.227 4.877 225 H ILE 31 H ILE 31 -10.662 -6.305 5.377 226 HA ILE 31 HA ILE 31 -12.228 -6.485 7.736 227 HB ILE 31 HB ILE 31 -12.421 -8.208 5.258 228 1HG1 ILE 31 1HG1 ILE 31 -12.481 -5.800 4.707 229 2HG1 ILE 31 2HG1 ILE 31 -14.030 -6.581 4.410 230 1HG2 ILE 31 1HG2 ILE 31 -13.708 -9.119 7.072 231 2HG2 ILE 31 2HG2 ILE 31 -14.809 -8.388 5.905 232 3HG2 ILE 31 3HG2 ILE 31 -14.428 -7.545 7.406 233 1HD1 ILE 31 1HD1 ILE 31 -14.917 -5.648 6.461 234 2HD1 ILE 31 2HD1 ILE 31 -14.273 -4.372 5.428 235 3HD1 ILE 31 3HD1 ILE 31 -13.354 -4.923 6.829 236 H ALA 32 H ALA 32 -9.438 -8.033 6.803 237 HA ALA 32 HA ALA 32 -9.696 -10.684 7.488 238 1HB ALA 32 1HB ALA 32 -7.671 -9.708 6.519 239 2HB ALA 32 2HB ALA 32 -7.311 -10.671 7.951 240 3HB ALA 32 3HB ALA 32 -7.326 -8.911 8.055 241 H THR 33 H THR 33 -9.115 -7.917 9.635 242 HA THR 33 HA THR 33 -10.392 -9.189 11.829 243 HB THR 33 HB THR 33 -8.444 -10.484 12.133 244 HG1 THR 33 1HG THR 33 -7.891 -8.314 13.858 245 1HG2 THR 33 1HG2 THR 33 -6.963 -9.202 10.639 246 2HG2 THR 33 2HG2 THR 33 -6.185 -9.589 12.173 247 3HG2 THR 33 3HG2 THR 33 -6.800 -7.962 11.883 248 H ASN 34 H ASN 34 -11.530 -7.391 12.258 249 HA ASN 34 HA ASN 34 -12.028 -5.186 12.654 250 1HB ASN 34 1HB ASN 34 -10.875 -4.345 14.721 251 2HB ASN 34 2HB ASN 34 -11.599 -5.939 14.876 252 1HD2 ASN 34 1HD2 ASN 34 -10.289 -7.730 15.103 253 2HD2 ASN 34 2HD2 ASN 34 -8.607 -7.608 15.473 254 H ILE 35 H ILE 35 -11.248 -4.497 10.548 255 HA ILE 35 HA ILE 35 -10.108 -3.098 9.167 256 HB ILE 35 HB ILE 35 -9.348 -1.698 11.735 257 1HG1 ILE 35 1HG1 ILE 35 -11.691 -1.171 9.893 258 2HG1 ILE 35 2HG1 ILE 35 -11.807 -2.051 11.414 259 1HG2 ILE 35 1HG2 ILE 35 -9.136 0.293 10.303 260 2HG2 ILE 35 2HG2 ILE 35 -9.439 -0.711 8.885 261 3HG2 ILE 35 3HG2 ILE 35 -7.993 -0.973 9.860 262 1HD1 ILE 35 1HD1 ILE 35 -11.086 -0.062 12.622 263 2HD1 ILE 35 2HD1 ILE 35 -12.529 0.255 11.659 264 3HD1 ILE 35 3HD1 ILE 35 -10.954 0.818 11.099 265 H GLN 36 H GLN 36 -7.807 -2.522 11.760 266 HA GLN 36 HA GLN 36 -5.622 -3.008 12.026 267 1HB GLN 36 1HB GLN 36 -6.639 -5.399 11.570 268 2HB GLN 36 2HB GLN 36 -5.745 -5.255 10.064 269 1HG GLN 36 1HG GLN 36 -4.480 -6.429 11.798 270 2HG GLN 36 2HG GLN 36 -3.679 -4.952 11.268 271 1HE2 GLN 36 1HE2 GLN 36 -5.396 -6.518 13.853 272 2HE2 GLN 36 2HE2 GLN 36 -4.981 -5.385 15.088 273 H ALA 37 H ALA 37 -3.612 -2.700 11.020 274 HA ALA 37 HA ALA 37 -3.832 -1.131 8.606 275 1HB ALA 37 1HB ALA 37 -1.371 -1.641 10.241 276 2HB ALA 37 2HB ALA 37 -2.589 -0.435 10.657 277 3HB ALA 37 3HB ALA 37 -1.690 -0.298 9.143 278 H ALA 38 H ALA 38 -1.262 -3.439 9.534 279 HA ALA 38 HA ALA 38 -1.646 -4.960 7.104 280 1HB ALA 38 1HB ALA 38 0.581 -4.527 6.205 281 2HB ALA 38 2HB ALA 38 0.857 -3.338 7.474 282 3HB ALA 38 3HB ALA 38 -0.394 -3.058 6.261 283 H LYS 39 H LYS 39 1.596 -4.796 8.218 284 HA LYS 39 HA LYS 39 1.557 -7.499 9.088 285 1HB LYS 39 1HB LYS 39 3.876 -7.229 9.581 286 2HB LYS 39 2HB LYS 39 3.554 -6.307 8.120 287 1HG LYS 39 1HG LYS 39 3.628 -4.247 9.308 288 2HG LYS 39 2HG LYS 39 3.659 -5.080 10.865 289 1HD LYS 39 1HD LYS 39 5.837 -6.067 10.264 290 2HD LYS 39 2HD LYS 39 5.809 -5.162 8.750 291 1HE LYS 39 1HE LYS 39 5.778 -3.065 9.999 292 2HE LYS 39 2HE LYS 39 5.777 -3.962 11.516 293 1HZ LYS 39 1HZ LYS 39 7.992 -3.205 10.981 294 2HZ LYS 39 2HZ LYS 39 7.938 -3.978 9.479 295 3HZ LYS 39 3HZ LYS 39 7.936 -4.894 10.901 296 H ASN 40 H ASN 40 0.401 -4.778 10.472 297 HA ASN 40 HA ASN 40 1.159 -5.280 13.205 298 1HB ASN 40 1HB ASN 40 0.394 -3.033 11.899 299 2HB ASN 40 2HB ASN 40 -1.138 -3.503 12.638 300 1HD2 ASN 40 1HD2 ASN 40 2.217 -2.741 13.269 301 2HD2 ASN 40 2HD2 ASN 40 1.997 -2.241 14.911 302 H GLY 41 H GLY 41 -0.277 -7.353 11.634 303 1HA GLY 41 1HA GLY 41 -1.528 -9.038 12.908 304 2HA GLY 41 2HA GLY 41 -2.506 -7.729 13.542 305 H ALA 42 H ALA 42 -2.145 -6.863 10.439 306 HA ALA 42 HA ALA 42 -4.746 -7.911 9.700 307 1HB ALA 42 1HB ALA 42 -4.047 -5.560 9.216 308 2HB ALA 42 2HB ALA 42 -4.627 -6.448 7.808 309 3HB ALA 42 3HB ALA 42 -2.897 -6.198 8.041 310 H ASP 43 H ASP 43 -2.389 -9.678 9.983 311 HA ASP 43 HA ASP 43 -1.573 -11.558 9.034 312 1HB ASP 43 1HB ASP 43 -4.007 -11.806 8.361 313 2HB ASP 43 2HB ASP 43 -3.548 -11.155 6.789 314 H MET 44 H MET 44 0.355 -10.240 8.688 315 HA MET 44 HA MET 44 1.096 -8.829 6.447 316 1HB MET 44 1HB MET 44 2.523 -9.120 8.430 317 2HB MET 44 2HB MET 44 2.786 -10.805 8.003 318 1HG MET 44 1HG MET 44 3.840 -10.034 5.887 319 2HG MET 44 2HG MET 44 3.704 -8.381 6.480 320 1HE MET 44 1HE MET 44 6.305 -11.649 8.445 321 2HE MET 44 2HE MET 44 5.362 -11.887 6.972 322 3HE MET 44 3HE MET 44 4.544 -11.666 8.517 323 H SER 45 H SER 45 0.915 -12.311 6.896 324 HA SER 45 HA SER 45 2.227 -13.288 4.698 325 1HB SER 45 1HB SER 45 1.241 -14.707 6.446 326 2HB SER 45 2HB SER 45 -0.373 -14.328 5.845 327 HG SER 45 HG SER 45 -0.115 -15.844 4.429 328 H GLN 46 H GLN 46 -1.257 -12.443 4.801 329 HA GLN 46 HA GLN 46 -1.399 -12.702 1.915 330 1HB GLN 46 1HB GLN 46 -3.201 -13.369 3.704 331 2HB GLN 46 2HB GLN 46 -3.666 -11.678 3.564 332 1HG GLN 46 1HG GLN 46 -4.956 -13.177 2.099 333 2HG GLN 46 2HG GLN 46 -4.086 -11.926 1.220 334 1HE2 GLN 46 1HE2 GLN 46 -2.343 -12.491 -0.074 335 2HE2 GLN 46 2HE2 GLN 46 -2.035 -14.122 -0.555 336 H LEU 47 H LEU 47 -0.679 -10.296 4.148 337 HA LEU 47 HA LEU 47 -1.807 -8.029 2.898 338 1HB LEU 47 1HB LEU 47 -0.646 -8.345 5.233 339 2HB LEU 47 2HB LEU 47 0.808 -7.934 4.356 340 HG LEU 47 HG LEU 47 -0.111 -5.997 5.503 341 1HD1 LEU 47 1HD1 LEU 47 -0.049 -4.438 3.705 342 2HD1 LEU 47 2HD1 LEU 47 -0.505 -5.681 2.542 343 3HD1 LEU 47 3HD1 LEU 47 1.070 -5.746 3.326 344 1HD2 LEU 47 1HD2 LEU 47 -2.525 -6.370 3.751 345 2HD2 LEU 47 2HD2 LEU 47 -2.245 -5.044 4.881 346 3HD2 LEU 47 3HD2 LEU 47 -2.456 -6.690 5.483 347 H GLY 48 H GLY 48 1.204 -9.788 2.428 348 1HA GLY 48 1HA GLY 48 2.322 -7.884 0.613 349 2HA GLY 48 2HA GLY 48 2.882 -9.533 0.869 350 H CYS 49 H CYS 49 -0.381 -9.617 0.234 351 HA CYS 49 HA CYS 49 0.002 -9.799 -2.663 352 1HB CYS 49 1HB CYS 49 -0.646 -11.958 -0.822 353 2HB CYS 49 2HB CYS 49 -1.793 -11.803 -2.145 354 H LEU 50 H LEU 50 -2.663 -10.489 -0.411 355 HA LEU 50 HA LEU 50 -4.753 -9.595 -1.920 356 1HB LEU 50 1HB LEU 50 -4.799 -10.660 0.389 357 2HB LEU 50 2HB LEU 50 -4.534 -9.060 1.039 358 HG LEU 50 HG LEU 50 -6.897 -9.761 1.135 359 1HD1 LEU 50 1HD1 LEU 50 -7.861 -7.725 0.289 360 2HD1 LEU 50 2HD1 LEU 50 -6.467 -7.455 -0.753 361 3HD1 LEU 50 3HD1 LEU 50 -6.287 -7.374 0.999 362 1HD2 LEU 50 1HD2 LEU 50 -6.966 -11.136 -0.865 363 2HD2 LEU 50 2HD2 LEU 50 -6.725 -9.708 -1.873 364 3HD2 LEU 50 3HD2 LEU 50 -8.205 -9.881 -0.930 365 H LYS 51 H LYS 51 -2.828 -7.658 0.356 366 HA LYS 51 HA LYS 51 -4.049 -5.197 -0.442 367 1HB LYS 51 1HB LYS 51 -3.034 -5.555 1.804 368 2HB LYS 51 2HB LYS 51 -1.453 -5.642 1.047 369 1HG LYS 51 1HG LYS 51 -1.374 -3.466 1.594 370 2HG LYS 51 2HG LYS 51 -2.283 -3.273 0.094 371 1HD LYS 51 1HD LYS 51 -3.618 -3.660 2.762 372 2HD LYS 51 2HD LYS 51 -3.186 -2.068 2.141 373 1HE LYS 51 1HE LYS 51 -4.535 -2.563 0.111 374 2HE LYS 51 2HE LYS 51 -5.055 -4.066 0.876 375 1HZ LYS 51 1HZ LYS 51 -6.695 -2.341 1.192 376 2HZ LYS 51 2HZ LYS 51 -5.547 -1.319 1.898 377 3HZ LYS 51 3HZ LYS 51 -6.006 -2.745 2.684 378 H ALA 52 H ALA 52 -1.413 -7.167 -1.539 379 HA ALA 52 HA ALA 52 -0.023 -5.085 -2.947 380 1HB ALA 52 1HB ALA 52 0.124 -8.050 -3.471 381 2HB ALA 52 2HB ALA 52 1.022 -7.232 -2.191 382 3HB ALA 52 3HB ALA 52 1.323 -6.823 -3.880 383 H CYS 53 H CYS 53 -2.881 -6.797 -3.465 384 HA CYS 53 HA CYS 53 -2.932 -7.005 -6.275 385 1HB CYS 53 1HB CYS 53 -4.556 -8.260 -5.126 386 2HB CYS 53 2HB CYS 53 -5.062 -6.884 -4.155 387 H VAL 54 H VAL 54 -3.836 -4.434 -4.042 388 HA VAL 54 HA VAL 54 -5.006 -2.720 -5.973 389 HB VAL 54 HB VAL 54 -3.760 -2.018 -3.310 390 1HG1 VAL 54 1HG1 VAL 54 -5.271 -0.038 -3.445 391 2HG1 VAL 54 2HG1 VAL 54 -5.597 -0.467 -5.124 392 3HG1 VAL 54 3HG1 VAL 54 -3.962 -0.033 -4.624 393 1HG2 VAL 54 1HG2 VAL 54 -6.046 -2.103 -2.447 394 2HG2 VAL 54 2HG2 VAL 54 -5.550 -3.664 -3.101 395 3HG2 VAL 54 3HG2 VAL 54 -6.626 -2.622 -4.029 396 H MET 55 H MET 55 -1.740 -3.320 -4.939 397 HA MET 55 HA MET 55 -0.483 -0.988 -5.819 398 1HB MET 55 1HB MET 55 0.565 -3.823 -5.769 399 2HB MET 55 2HB MET 55 1.558 -2.390 -5.990 400 1HG MET 55 1HG MET 55 0.992 -1.604 -3.786 401 2HG MET 55 2HG MET 55 -0.131 -2.945 -3.563 402 1HE MET 55 1HE MET 55 4.442 -3.479 -3.915 403 2HE MET 55 2HE MET 55 3.643 -1.908 -3.964 404 3HE MET 55 3HE MET 55 3.406 -3.059 -5.279 405 H LYS 56 H LYS 56 -1.324 -3.947 -7.545 406 HA LYS 56 HA LYS 56 -0.130 -3.064 -10.009 407 1HB LYS 56 1HB LYS 56 -2.110 -5.313 -9.782 408 2HB LYS 56 2HB LYS 56 -0.768 -5.135 -10.907 409 1HG LYS 56 1HG LYS 56 0.811 -5.469 -9.065 410 2HG LYS 56 2HG LYS 56 -0.542 -5.681 -7.955 411 1HD LYS 56 1HD LYS 56 -0.050 -7.402 -10.384 412 2HD LYS 56 2HD LYS 56 0.468 -7.817 -8.749 413 1HE LYS 56 1HE LYS 56 -1.856 -7.764 -7.996 414 2HE LYS 56 2HE LYS 56 -2.379 -7.334 -9.624 415 1HZ LYS 56 1HZ LYS 56 -2.655 -9.697 -9.175 416 2HZ LYS 56 2HZ LYS 56 -0.999 -9.856 -8.875 417 3HZ LYS 56 3HZ LYS 56 -1.541 -9.444 -10.423 418 H ARG 57 H ARG 57 -3.094 -2.531 -8.430 419 HA ARG 57 HA ARG 57 -4.766 -2.233 -10.722 420 1HB ARG 57 1HB ARG 57 -5.055 -1.155 -7.912 421 2HB ARG 57 2HB ARG 57 -6.301 -1.058 -9.148 422 1HG ARG 57 1HG ARG 57 -5.147 -3.694 -8.334 423 2HG ARG 57 2HG ARG 57 -6.431 -2.933 -7.396 424 1HD ARG 57 1HD ARG 57 -7.420 -4.468 -8.953 425 2HD ARG 57 2HD ARG 57 -7.800 -2.827 -9.468 426 HE ARG 57 HE ARG 57 -5.474 -3.673 -10.785 427 1HH1 ARG 57 1HH1 ARG 57 -8.888 -4.357 -10.693 428 2HH1 ARG 57 2HH1 ARG 57 -8.961 -4.870 -12.345 429 1HH2 ARG 57 1HH2 ARG 57 -5.560 -4.353 -12.962 430 2HH2 ARG 57 2HH2 ARG 57 -7.069 -4.872 -13.634 431 H ILE 58 H ILE 58 -2.883 0.019 -8.739 432 HA ILE 58 HA ILE 58 -3.653 2.249 -10.453 433 HB ILE 58 HB ILE 58 -2.272 3.615 -8.880 434 1HG1 ILE 58 1HG1 ILE 58 -2.131 1.048 -7.283 435 2HG1 ILE 58 2HG1 ILE 58 -0.778 1.744 -8.173 436 1HG2 ILE 58 1HG2 ILE 58 -4.674 3.409 -8.594 437 2HG2 ILE 58 2HG2 ILE 58 -3.871 3.479 -7.026 438 3HG2 ILE 58 3HG2 ILE 58 -4.452 1.934 -7.650 439 1HD1 ILE 58 1HD1 ILE 58 -0.666 2.247 -5.790 440 2HD1 ILE 58 2HD1 ILE 58 -2.229 3.056 -5.885 441 3HD1 ILE 58 3HD1 ILE 58 -0.841 3.713 -6.755 442 H GLU 59 H GLU 59 -1.884 -0.008 -11.347 443 HA GLU 59 HA GLU 59 -0.032 -0.329 -12.626 444 1HB GLU 59 1HB GLU 59 -0.307 2.660 -12.969 445 2HB GLU 59 2HB GLU 59 0.791 1.655 -13.908 446 1HG GLU 59 1HG GLU 59 -1.123 0.385 -14.763 447 2HG GLU 59 2HG GLU 59 -2.211 1.429 -13.849 448 H MET 60 H MET 60 0.320 0.157 -9.769 449 HA MET 60 HA MET 60 2.945 1.463 -9.685 450 1HB MET 60 1HB MET 60 1.202 2.120 -8.020 451 2HB MET 60 2HB MET 60 1.236 0.481 -7.389 452 1HG MET 60 1HG MET 60 3.621 0.785 -6.832 453 2HG MET 60 2HG MET 60 3.505 2.455 -7.381 454 1HE MET 60 1HE MET 60 3.763 2.508 -3.399 455 2HE MET 60 2HE MET 60 4.543 3.048 -4.885 456 3HE MET 60 3HE MET 60 4.481 1.328 -4.495 457 H LEU 61 H LEU 61 1.749 -1.517 -10.273 458 HA LEU 61 HA LEU 61 4.241 -2.799 -9.641 459 1HB LEU 61 1HB LEU 61 3.076 -3.018 -7.508 460 2HB LEU 61 2HB LEU 61 1.694 -3.729 -8.320 461 HG LEU 61 HG LEU 61 3.110 -5.657 -8.981 462 1HD1 LEU 61 1HD1 LEU 61 5.277 -4.575 -8.969 463 2HD1 LEU 61 2HD1 LEU 61 5.280 -5.953 -7.869 464 3HD1 LEU 61 3HD1 LEU 61 5.163 -4.315 -7.229 465 1HD2 LEU 61 1HD2 LEU 61 1.716 -5.779 -6.989 466 2HD2 LEU 61 2HD2 LEU 61 3.009 -5.070 -6.025 467 3HD2 LEU 61 3HD2 LEU 61 3.223 -6.662 -6.750 468 H LYS 62 H LYS 62 4.521 -3.400 -11.743 469 HA LYS 62 HA LYS 62 2.355 -4.683 -13.187 470 1HB LYS 62 1HB LYS 62 5.209 -4.096 -14.001 471 2HB LYS 62 2HB LYS 62 3.974 -4.758 -15.063 472 1HG LYS 62 1HG LYS 62 3.391 -2.195 -13.686 473 2HG LYS 62 2HG LYS 62 4.551 -2.184 -15.015 474 1HD LYS 62 1HD LYS 62 2.489 -1.737 -16.034 475 2HD LYS 62 2HD LYS 62 2.772 -3.450 -16.345 476 1HE LYS 62 1HE LYS 62 1.301 -4.044 -14.498 477 2HE LYS 62 2HE LYS 62 1.050 -2.337 -14.132 478 1HZ LYS 62 1HZ LYS 62 0.265 -3.699 -16.653 479 2HZ LYS 62 2HZ LYS 62 0.027 -2.062 -16.306 480 3HZ LYS 62 3HZ LYS 62 -0.786 -3.242 -15.409 481 H GLY 63 H GLY 63 2.225 -6.477 -11.656 482 1HA GLY 63 1HA GLY 63 2.467 -8.760 -11.383 483 2HA GLY 63 2HA GLY 63 3.729 -8.736 -12.605 484 H THR 64 H THR 64 5.727 -7.369 -11.726 485 HA THR 64 HA THR 64 6.295 -7.969 -8.940 486 HB THR 64 HB THR 64 8.311 -9.209 -9.365 487 HG1 THR 64 1HG THR 64 8.538 -9.802 -11.786 488 1HG2 THR 64 1HG2 THR 64 6.104 -10.335 -11.095 489 2HG2 THR 64 2HG2 THR 64 6.241 -10.534 -9.349 490 3HG2 THR 64 3HG2 THR 64 7.455 -11.241 -10.414 491 H GLU 65 H GLU 65 6.317 -5.820 -11.349 492 HA GLU 65 HA GLU 65 8.916 -4.613 -10.766 493 1HB GLU 65 1HB GLU 65 6.795 -3.772 -12.747 494 2HB GLU 65 2HB GLU 65 8.431 -3.139 -12.639 495 1HG GLU 65 1HG GLU 65 9.326 -5.332 -13.231 496 2HG GLU 65 2HG GLU 65 7.685 -5.967 -13.339 497 H LEU 66 H LEU 66 9.093 -3.094 -9.237 498 HA LEU 66 HA LEU 66 6.750 -1.888 -8.080 499 1HB LEU 66 1HB LEU 66 9.688 -1.441 -7.562 500 2HB LEU 66 2HB LEU 66 8.407 -0.659 -6.662 501 HG LEU 66 HG LEU 66 9.102 -3.593 -6.690 502 1HD1 LEU 66 1HD1 LEU 66 9.268 -3.147 -4.224 503 2HD1 LEU 66 2HD1 LEU 66 9.138 -1.431 -4.601 504 3HD1 LEU 66 3HD1 LEU 66 10.496 -2.370 -5.220 505 1HD2 LEU 66 1HD2 LEU 66 7.218 -3.909 -5.147 506 2HD2 LEU 66 2HD2 LEU 66 6.674 -3.392 -6.742 507 3HD2 LEU 66 3HD2 LEU 66 6.725 -2.236 -5.410 508 H TYR 67 H TYR 67 6.273 0.337 -7.986 509 HA TYR 67 HA TYR 67 7.683 2.101 -9.838 510 1HB TYR 67 1HB TYR 67 4.774 1.354 -10.033 511 2HB TYR 67 2HB TYR 67 5.364 2.893 -10.653 512 HD1 TYR 67 1HD TYR 67 5.395 -0.747 -11.106 513 HD2 TYR 67 2HD TYR 67 6.776 2.984 -12.618 514 HE1 TYR 67 1HE TYR 67 6.058 -1.847 -13.204 515 HE2 TYR 67 2HE TYR 67 7.439 1.894 -14.718 516 HH TYR 67 HH TYR 67 8.041 -0.362 -15.512 517 H VAL 68 H VAL 68 7.445 4.314 -9.379 518 HA VAL 68 HA VAL 68 6.104 4.914 -6.829 519 HB VAL 68 HB VAL 68 7.894 6.594 -6.436 520 1HG1 VAL 68 1HG1 VAL 68 9.567 4.993 -5.681 521 2HG1 VAL 68 2HG1 VAL 68 8.854 3.752 -6.712 522 3HG1 VAL 68 3HG1 VAL 68 7.938 4.399 -5.351 523 1HG2 VAL 68 1HG2 VAL 68 8.635 6.854 -8.754 524 2HG2 VAL 68 2HG2 VAL 68 9.267 5.208 -8.733 525 3HG2 VAL 68 3HG2 VAL 68 9.979 6.439 -7.689 526 H GLU 69 H GLU 69 5.772 5.384 -9.975 527 HA GLU 69 HA GLU 69 5.583 8.224 -10.172 528 1HB GLU 69 1HB GLU 69 4.322 6.147 -11.965 529 2HB GLU 69 2HB GLU 69 4.601 7.839 -12.352 530 1HG GLU 69 1HG GLU 69 6.703 5.738 -11.884 531 2HG GLU 69 2HG GLU 69 6.249 6.451 -13.431 532 HA PRO 70 HA PRO 70 0.860 7.506 -9.723 533 1HB PRO 70 1HB PRO 70 -0.072 5.140 -8.859 534 2HB PRO 70 2HB PRO 70 0.294 5.435 -10.563 535 1HG PRO 70 1HG PRO 70 1.918 4.010 -8.495 536 2HG PRO 70 2HG PRO 70 1.625 3.570 -10.186 537 1HD PRO 70 1HD PRO 70 3.903 4.806 -9.306 538 2HD PRO 70 2HD PRO 70 3.276 4.958 -10.958 539 H VAL 71 H VAL 71 3.021 6.069 -7.371 540 HA VAL 71 HA VAL 71 1.272 6.414 -5.138 541 HB VAL 71 HB VAL 71 3.302 4.830 -5.357 542 1HG1 VAL 71 1HG1 VAL 71 4.695 7.291 -4.340 543 2HG1 VAL 71 2HG1 VAL 71 5.004 6.460 -5.866 544 3HG1 VAL 71 3HG1 VAL 71 5.366 5.662 -4.336 545 1HG2 VAL 71 1HG2 VAL 71 1.897 4.946 -3.392 546 2HG2 VAL 71 2HG2 VAL 71 2.771 6.369 -2.825 547 3HG2 VAL 71 3HG2 VAL 71 3.589 4.810 -2.914 548 H TYR 72 H TYR 72 4.014 8.246 -6.422 549 HA TYR 72 HA TYR 72 4.089 10.225 -4.438 550 1HB TYR 72 1HB TYR 72 4.829 10.373 -7.364 551 2HB TYR 72 2HB TYR 72 5.152 11.662 -6.217 552 HD1 TYR 72 1HD TYR 72 7.378 10.714 -7.673 553 HD2 TYR 72 2HD TYR 72 5.643 9.008 -4.182 554 HE1 TYR 72 1HE TYR 72 9.535 9.676 -7.112 555 HE2 TYR 72 2HE TYR 72 7.794 7.969 -3.615 556 HH TYR 72 HH TYR 72 10.703 8.820 -5.124 557 H LYS 73 H LYS 73 1.856 9.659 -6.981 558 HA LYS 73 HA LYS 73 0.822 12.352 -7.060 559 1HB LYS 73 1HB LYS 73 0.806 11.005 -9.082 560 2HB LYS 73 2HB LYS 73 -0.180 9.784 -8.292 561 1HG LYS 73 1HG LYS 73 -1.502 11.170 -9.795 562 2HG LYS 73 2HG LYS 73 -2.028 11.352 -8.122 563 1HD LYS 73 1HD LYS 73 -1.960 13.513 -9.245 564 2HD LYS 73 2HD LYS 73 -0.758 13.444 -7.958 565 1HE LYS 73 1HE LYS 73 0.119 14.496 -10.000 566 2HE LYS 73 2HE LYS 73 0.997 13.027 -9.577 567 1HZ LYS 73 1HZ LYS 73 -1.116 13.260 -11.653 568 2HZ LYS 73 2HZ LYS 73 -0.315 11.831 -11.234 569 3HZ LYS 73 3HZ LYS 73 0.545 13.107 -11.937 570 H MET 74 H MET 74 -0.261 9.220 -5.759 571 HA MET 74 HA MET 74 -2.737 10.260 -4.802 572 1HB MET 74 1HB MET 74 -2.944 8.117 -3.610 573 2HB MET 74 2HB MET 74 -2.531 7.898 -5.306 574 1HG MET 74 1HG MET 74 -0.180 7.581 -4.654 575 2HG MET 74 2HG MET 74 -0.657 7.698 -2.963 576 1HE MET 74 1HE MET 74 -3.448 6.180 -2.952 577 2HE MET 74 2HE MET 74 -2.196 5.939 -1.733 578 3HE MET 74 3HE MET 74 -2.932 4.547 -2.530 579 H ILE 75 H ILE 75 0.405 9.575 -3.290 580 HA ILE 75 HA ILE 75 -0.198 9.988 -0.641 581 HB ILE 75 HB ILE 75 2.295 10.805 -2.141 582 1HG1 ILE 75 1HG1 ILE 75 1.818 8.435 -0.328 583 2HG1 ILE 75 2HG1 ILE 75 1.634 8.367 -2.077 584 1HG2 ILE 75 1HG2 ILE 75 1.870 10.607 0.838 585 2HG2 ILE 75 2HG2 ILE 75 2.145 12.088 -0.078 586 3HG2 ILE 75 3HG2 ILE 75 3.418 10.873 0.037 587 1HD1 ILE 75 1HD1 ILE 75 3.788 7.493 -1.360 588 2HD1 ILE 75 2HD1 ILE 75 4.170 9.040 -0.603 589 3HD1 ILE 75 3HD1 ILE 75 3.983 8.936 -2.354 590 H GLU 76 H GLU 76 -0.168 12.282 -3.215 591 HA GLU 76 HA GLU 76 0.226 14.668 -1.791 592 1HB GLU 76 1HB GLU 76 -1.452 14.182 -4.257 593 2HB GLU 76 2HB GLU 76 -0.965 15.764 -3.667 594 1HG GLU 76 1HG GLU 76 1.432 14.908 -3.888 595 2HG GLU 76 2HG GLU 76 0.738 13.597 -4.841 596 H VAL 77 H VAL 77 -2.899 13.256 -2.825 597 HA VAL 77 HA VAL 77 -4.314 14.972 -0.952 598 HB VAL 77 HB VAL 77 -5.379 12.871 -2.848 599 1HG1 VAL 77 1HG1 VAL 77 -6.818 14.981 -1.244 600 2HG1 VAL 77 2HG1 VAL 77 -6.908 13.236 -1.006 601 3HG1 VAL 77 3HG1 VAL 77 -7.557 13.959 -2.477 602 1HG2 VAL 77 1HG2 VAL 77 -6.042 14.756 -4.251 603 2HG2 VAL 77 2HG2 VAL 77 -4.296 14.726 -4.008 604 3HG2 VAL 77 3HG2 VAL 77 -5.290 15.874 -3.112 605 H VAL 78 H VAL 78 -3.471 11.610 -1.350 606 HA VAL 78 HA VAL 78 -5.078 10.448 0.602 607 HB VAL 78 HB VAL 78 -2.395 9.669 -0.533 608 1HG1 VAL 78 1HG1 VAL 78 -4.084 8.080 1.401 609 2HG1 VAL 78 2HG1 VAL 78 -2.464 8.709 1.696 610 3HG1 VAL 78 3HG1 VAL 78 -2.712 7.446 0.491 611 1HG2 VAL 78 1HG2 VAL 78 -5.183 8.583 -0.893 612 2HG2 VAL 78 2HG2 VAL 78 -3.727 7.936 -1.650 613 3HG2 VAL 78 3HG2 VAL 78 -4.278 9.563 -2.048 614 H HIS 79 H HIS 79 -2.696 12.743 1.015 615 HA HIS 79 HA HIS 79 -2.612 12.234 3.886 616 1HB HIS 79 1HB HIS 79 -0.180 12.657 2.146 617 2HB HIS 79 2HB HIS 79 -0.161 12.871 3.892 618 HD1 HIS 79 1HD HIS 79 -0.468 10.711 5.349 619 HD2 HIS 79 2HD HIS 79 -0.096 10.032 1.267 620 HE1 HIS 79 1HE HIS 79 0.001 8.250 5.116 621 HE2 HIS 79 2HE HIS 79 0.162 7.852 2.634 622 H ALA 80 H ALA 80 -4.274 14.022 2.893 623 HA ALA 80 HA ALA 80 -3.196 16.608 2.453 624 1HB ALA 80 1HB ALA 80 -5.975 15.827 3.330 625 2HB ALA 80 2HB ALA 80 -5.419 15.975 1.663 626 3HB ALA 80 3HB ALA 80 -5.490 17.401 2.698 627 H GLY 81 H GLY 81 -2.752 18.243 3.815 628 1HA GLY 81 1HA GLY 81 -3.620 18.991 6.207 629 2HA GLY 81 2HA GLY 81 -2.638 17.605 6.657 630 H ASN 82 H ASN 82 -0.373 17.650 5.632 631 HA ASN 82 HA ASN 82 0.684 20.400 5.727 632 1HB ASN 82 1HB ASN 82 1.851 17.892 6.949 633 2HB ASN 82 2HB ASN 82 2.739 19.402 6.784 634 1HD2 ASN 82 1HD2 ASN 82 2.989 19.646 8.986 635 2HD2 ASN 82 2HD2 ASN 82 1.680 20.074 10.028 636 H ALA 83 H ALA 83 2.296 20.923 4.300 637 HA ALA 83 HA ALA 83 2.413 19.496 1.868 638 1HB ALA 83 1HB ALA 83 4.085 21.128 1.195 639 2HB ALA 83 2HB ALA 83 4.273 21.650 2.869 640 3HB ALA 83 3HB ALA 83 2.746 21.921 2.028 641 H ASP 84 H ASP 84 4.384 19.392 4.749 642 HA ASP 84 HA ASP 84 6.499 17.918 3.443 643 1HB ASP 84 1HB ASP 84 6.088 18.385 6.401 644 2HB ASP 84 2HB ASP 84 7.554 17.806 5.611 645 H ASP 85 H ASP 85 3.588 17.271 5.203 646 HA ASP 85 HA ASP 85 4.074 14.661 6.081 647 1HB ASP 85 1HB ASP 85 2.022 16.161 6.516 648 2HB ASP 85 2HB ASP 85 1.417 15.568 4.974 649 H ILE 86 H ILE 86 3.374 15.998 2.972 650 HA ILE 86 HA ILE 86 2.941 13.452 1.675 651 HB ILE 86 HB ILE 86 3.318 16.225 0.514 652 1HG1 ILE 86 1HG1 ILE 86 0.766 14.646 0.889 653 2HG1 ILE 86 2HG1 ILE 86 1.317 15.900 1.996 654 1HG2 ILE 86 1HG2 ILE 86 3.870 14.472 -1.095 655 2HG2 ILE 86 2HG2 ILE 86 2.372 15.288 -1.539 656 3HG2 ILE 86 3HG2 ILE 86 2.318 13.693 -0.791 657 1HD1 ILE 86 1HD1 ILE 86 1.153 17.557 0.247 658 2HD1 ILE 86 2HD1 ILE 86 -0.380 16.703 0.424 659 3HD1 ILE 86 3HD1 ILE 86 0.696 16.315 -0.919 660 H GLN 87 H GLN 87 5.515 15.657 2.348 661 HA GLN 87 HA GLN 87 7.342 14.600 0.402 662 1HB GLN 87 1HB GLN 87 8.215 16.625 0.783 663 2HB GLN 87 2HB GLN 87 7.242 16.827 2.229 664 1HG GLN 87 1HG GLN 87 8.890 15.737 3.563 665 2HG GLN 87 2HG GLN 87 9.850 15.340 2.140 666 1HE2 GLN 87 1HE2 GLN 87 8.212 18.390 2.594 667 2HE2 GLN 87 2HE2 GLN 87 9.634 19.351 2.779 668 H LEU 88 H LEU 88 6.373 13.831 3.596 669 HA LEU 88 HA LEU 88 8.766 12.430 4.345 670 1HB LEU 88 1HB LEU 88 7.320 13.444 6.031 671 2HB LEU 88 2HB LEU 88 5.995 12.407 5.542 672 HG LEU 88 HG LEU 88 7.347 10.435 6.263 673 1HD1 LEU 88 1HD1 LEU 88 9.562 11.452 6.080 674 2HD1 LEU 88 2HD1 LEU 88 9.282 10.803 7.696 675 3HD1 LEU 88 3HD1 LEU 88 9.174 12.541 7.413 676 1HD2 LEU 88 1HD2 LEU 88 6.791 12.533 8.357 677 2HD2 LEU 88 2HD2 LEU 88 7.012 10.811 8.665 678 3HD2 LEU 88 3HD2 LEU 88 5.635 11.366 7.711 679 H VAL 89 H VAL 89 5.428 11.357 3.669 680 HA VAL 89 HA VAL 89 5.863 8.628 3.670 681 HB VAL 89 HB VAL 89 3.976 10.073 1.807 682 1HG1 VAL 89 1HG1 VAL 89 4.173 7.736 1.271 683 2HG1 VAL 89 2HG1 VAL 89 2.620 8.014 2.059 684 3HG1 VAL 89 3HG1 VAL 89 3.949 7.289 2.963 685 1HG2 VAL 89 1HG2 VAL 89 2.314 9.828 3.622 686 2HG2 VAL 89 2HG2 VAL 89 3.644 10.901 4.050 687 3HG2 VAL 89 3HG2 VAL 89 3.597 9.258 4.687 688 H LYS 90 H LYS 90 6.411 10.959 1.096 689 HA LYS 90 HA LYS 90 6.864 9.182 -1.016 690 1HB LYS 90 1HB LYS 90 7.354 12.008 -0.439 691 2HB LYS 90 2HB LYS 90 8.518 11.310 -1.554 692 1HG LYS 90 1HG LYS 90 6.977 10.997 -3.189 693 2HG LYS 90 2HG LYS 90 5.650 10.760 -2.053 694 1HD LYS 90 1HD LYS 90 5.192 12.978 -1.919 695 2HD LYS 90 2HD LYS 90 6.883 13.451 -2.120 696 1HE LYS 90 1HE LYS 90 5.066 12.437 -4.306 697 2HE LYS 90 2HE LYS 90 5.481 14.127 -4.026 698 1HZ LYS 90 1HZ LYS 90 6.833 13.150 -5.776 699 2HZ LYS 90 2HZ LYS 90 7.410 11.972 -4.707 700 3HZ LYS 90 3HZ LYS 90 7.795 13.602 -4.458 701 H GLY 91 H GLY 91 8.983 10.333 1.544 702 1HA GLY 91 1HA GLY 91 11.344 9.151 0.368 703 2HA GLY 91 2HA GLY 91 11.232 9.911 1.949 704 H ILE 92 H ILE 92 8.866 8.176 2.584 705 HA ILE 92 HA ILE 92 10.288 6.082 3.872 706 HB ILE 92 HB ILE 92 7.311 6.403 3.472 707 1HG1 ILE 92 1HG1 ILE 92 8.174 8.319 4.648 708 2HG1 ILE 92 2HG1 ILE 92 7.364 7.280 5.812 709 1HG2 ILE 92 1HG2 ILE 92 7.162 4.943 5.488 710 2HG2 ILE 92 2HG2 ILE 92 8.892 4.636 5.324 711 3HG2 ILE 92 3HG2 ILE 92 7.783 4.139 4.046 712 1HD1 ILE 92 1HD1 ILE 92 10.326 7.577 5.396 713 2HD1 ILE 92 2HD1 ILE 92 9.586 6.388 6.464 714 3HD1 ILE 92 3HD1 ILE 92 9.379 8.110 6.784 715 H ALA 93 H ALA 93 8.126 6.214 1.085 716 HA ALA 93 HA ALA 93 7.975 3.454 0.585 717 1HB ALA 93 1HB ALA 93 6.439 5.093 -0.390 718 2HB ALA 93 2HB ALA 93 7.168 4.064 -1.623 719 3HB ALA 93 3HB ALA 93 7.747 5.716 -1.395 720 H ASN 94 H ASN 94 10.560 5.643 0.132 721 HA ASN 94 HA ASN 94 11.823 4.292 -2.054 722 1HB ASN 94 1HB ASN 94 12.282 6.651 -1.620 723 2HB ASN 94 2HB ASN 94 12.939 6.252 -0.035 724 1HD2 ASN 94 1HD2 ASN 94 14.954 5.284 0.116 725 2HD2 ASN 94 2HD2 ASN 94 16.064 5.258 -1.207 726 H GLU 95 H GLU 95 11.683 3.830 1.350 727 HA GLU 95 HA GLU 95 14.110 2.277 1.523 728 1HB GLU 95 1HB GLU 95 11.867 2.628 3.520 729 2HB GLU 95 2HB GLU 95 13.427 1.886 3.848 730 1HG GLU 95 1HG GLU 95 12.982 4.751 3.041 731 2HG GLU 95 2HG GLU 95 13.312 4.177 4.674 732 H CYS 96 H CYS 96 10.649 1.667 1.323 733 HA CYS 96 HA CYS 96 10.709 -1.099 1.880 734 1HB CYS 96 1HB CYS 96 8.712 0.231 0.054 735 2HB CYS 96 2HB CYS 96 8.467 -1.144 1.125 736 H ILE 97 H ILE 97 11.410 0.734 -0.996 737 HA ILE 97 HA ILE 97 11.178 -1.442 -2.838 738 HB ILE 97 HB ILE 97 12.684 1.157 -3.152 739 1HG1 ILE 97 1HG1 ILE 97 9.916 0.482 -4.153 740 2HG1 ILE 97 2HG1 ILE 97 10.206 1.323 -2.633 741 1HG2 ILE 97 1HG2 ILE 97 11.720 -0.832 -5.205 742 2HG2 ILE 97 2HG2 ILE 97 13.397 -0.516 -4.760 743 3HG2 ILE 97 3HG2 ILE 97 12.450 0.734 -5.561 744 1HD1 ILE 97 1HD1 ILE 97 10.959 2.276 -5.385 745 2HD1 ILE 97 2HD1 ILE 97 11.360 3.105 -3.881 746 3HD1 ILE 97 3HD1 ILE 97 9.672 2.908 -4.355 747 H GLU 98 H GLU 98 13.787 -0.072 -0.920 748 HA GLU 98 HA GLU 98 15.915 -1.399 -2.235 749 1HB GLU 98 1HB GLU 98 15.737 -0.338 0.587 750 2HB GLU 98 2HB GLU 98 17.220 -0.858 -0.199 751 1HG GLU 98 1HG GLU 98 16.907 0.889 -1.900 752 2HG GLU 98 2HG GLU 98 15.462 1.432 -1.048 753 H ASN 99 H ASN 99 13.798 -2.321 0.418 754 HA ASN 99 HA ASN 99 15.317 -4.763 0.877 755 1HB ASN 99 1HB ASN 99 14.227 -4.937 2.885 756 2HB ASN 99 2HB ASN 99 14.079 -3.201 2.638 757 1HD2 ASN 99 1HD2 ASN 99 12.091 -2.357 1.913 758 2HD2 ASN 99 2HD2 ASN 99 10.617 -3.225 2.154 759 H ALA 100 H ALA 100 12.648 -3.689 -0.951 760 HA ALA 100 HA ALA 100 11.990 -6.474 -1.628 761 1HB ALA 100 1HB ALA 100 10.277 -5.519 -0.089 762 2HB ALA 100 2HB ALA 100 9.640 -6.009 -1.659 763 3HB ALA 100 3HB ALA 100 9.923 -4.303 -1.315 764 H LYS 101 H LYS 101 13.745 -5.143 -3.155 765 HA LYS 101 HA LYS 101 12.965 -3.426 -5.117 766 1HB LYS 101 1HB LYS 101 14.670 -4.573 -6.586 767 2HB LYS 101 2HB LYS 101 15.246 -4.032 -5.013 768 1HG LYS 101 1HG LYS 101 16.125 -6.112 -4.999 769 2HG LYS 101 2HG LYS 101 14.529 -6.476 -4.339 770 1HD LYS 101 1HD LYS 101 13.762 -7.010 -6.645 771 2HD LYS 101 2HD LYS 101 15.428 -6.811 -7.191 772 1HE LYS 101 1HE LYS 101 14.662 -8.705 -4.990 773 2HE LYS 101 2HE LYS 101 14.660 -9.177 -6.686 774 1HZ LYS 101 1HZ LYS 101 17.001 -8.626 -6.817 775 2HZ LYS 101 2HZ LYS 101 16.738 -9.758 -5.587 776 3HZ LYS 101 3HZ LYS 101 17.008 -8.134 -5.196 777 H GLY 102 H GLY 102 12.192 -6.821 -4.869 778 1HA GLY 102 1HA GLY 102 9.915 -7.037 -6.160 779 2HA GLY 102 2HA GLY 102 10.986 -6.811 -7.536 780 H GLU 103 H GLU 103 10.229 -8.911 -4.813 781 HA GLU 103 HA GLU 103 12.038 -10.976 -5.403 782 1HB GLU 103 1HB GLU 103 9.400 -10.949 -3.946 783 2HB GLU 103 2HB GLU 103 10.363 -12.410 -4.110 784 1HG GLU 103 1HG GLU 103 10.793 -11.406 -1.979 785 2HG GLU 103 2HG GLU 103 12.234 -11.270 -2.985 786 H THR 104 H THR 104 10.924 -13.310 -5.806 787 HA THR 104 HA THR 104 10.003 -13.156 -8.545 788 HB THR 104 HB THR 104 11.696 -14.800 -8.080 789 HG1 THR 104 1HG THR 104 9.454 -16.462 -8.328 790 1HG2 THR 104 1HG2 THR 104 9.750 -16.035 -6.128 791 2HG2 THR 104 2HG2 THR 104 11.203 -15.139 -5.693 792 3HG2 THR 104 3HG2 THR 104 11.339 -16.669 -6.556 793 H ASP 105 H ASP 105 8.765 -14.305 -5.431 794 HA ASP 105 HA ASP 105 6.218 -15.023 -6.653 795 1HB ASP 105 1HB ASP 105 7.219 -16.533 -4.969 796 2HB ASP 105 2HB ASP 105 7.117 -15.245 -3.772 797 H GLU 106 H GLU 106 4.557 -13.676 -6.741 798 HA GLU 106 HA GLU 106 4.477 -11.050 -6.228 799 1HB GLU 106 1HB GLU 106 2.662 -12.167 -7.351 800 2HB GLU 106 2HB GLU 106 2.199 -12.997 -5.874 801 1HG GLU 106 1HG GLU 106 0.700 -11.145 -6.384 802 2HG GLU 106 2HG GLU 106 1.554 -10.893 -4.862 803 H CYS 107 H CYS 107 2.965 -13.294 -3.902 804 HA CYS 107 HA CYS 107 2.506 -11.562 -1.846 805 1HB CYS 107 1HB CYS 107 3.339 -14.462 -1.731 806 2HB CYS 107 2HB CYS 107 2.801 -13.560 -0.320 807 H ASN 108 H ASN 108 5.500 -13.431 -2.345 808 HA ASN 108 HA ASN 108 6.900 -12.508 -0.126 809 1HB ASN 108 1HB ASN 108 7.923 -13.336 -2.848 810 2HB ASN 108 2HB ASN 108 8.959 -13.063 -1.450 811 1HD2 ASN 108 1HD2 ASN 108 9.682 -15.160 -1.364 812 2HD2 ASN 108 2HD2 ASN 108 8.680 -16.480 -0.878 813 H ILE 109 H ILE 109 6.443 -11.045 -3.288 814 HA ILE 109 HA ILE 109 8.358 -8.977 -3.014 815 HB ILE 109 HB ILE 109 5.827 -8.930 -4.662 816 1HG1 ILE 109 1HG1 ILE 109 8.586 -9.782 -5.538 817 2HG1 ILE 109 2HG1 ILE 109 7.332 -10.914 -5.052 818 1HG2 ILE 109 1HG2 ILE 109 8.408 -7.395 -4.932 819 2HG2 ILE 109 2HG2 ILE 109 6.856 -6.741 -4.408 820 3HG2 ILE 109 3HG2 ILE 109 7.052 -7.330 -6.060 821 1HD1 ILE 109 1HD1 ILE 109 5.906 -10.085 -6.861 822 2HD1 ILE 109 2HD1 ILE 109 7.432 -10.742 -7.453 823 3HD1 ILE 109 3HD1 ILE 109 7.200 -8.996 -7.360 824 H GLY 110 H GLY 110 4.908 -9.201 -2.273 825 1HA GLY 110 1HA GLY 110 4.636 -6.457 -1.532 826 2HA GLY 110 2HA GLY 110 3.472 -7.736 -1.233 827 H ASN 111 H ASN 111 4.968 -9.464 0.350 828 HA ASN 111 HA ASN 111 4.580 -8.494 2.888 829 1HB ASN 111 1HB ASN 111 6.475 -10.605 1.876 830 2HB ASN 111 2HB ASN 111 6.321 -10.242 3.594 831 1HD2 ASN 111 1HD2 ASN 111 4.310 -10.597 4.614 832 2HD2 ASN 111 2HD2 ASN 111 3.180 -11.730 3.965 833 H LYS 112 H LYS 112 7.777 -8.784 1.343 834 HA LYS 112 HA LYS 112 9.246 -7.438 3.267 835 1HB LYS 112 1HB LYS 112 9.620 -7.795 0.307 836 2HB LYS 112 2HB LYS 112 10.781 -6.893 1.268 837 1HG LYS 112 1HG LYS 112 10.075 -9.529 2.342 838 2HG LYS 112 2HG LYS 112 10.909 -9.550 0.787 839 1HD LYS 112 1HD LYS 112 12.686 -8.150 1.730 840 2HD LYS 112 2HD LYS 112 11.855 -8.148 3.287 841 1HE LYS 112 1HE LYS 112 12.881 -10.601 1.865 842 2HE LYS 112 2HE LYS 112 13.699 -9.782 3.196 843 1HZ LYS 112 1HZ LYS 112 11.823 -10.277 4.620 844 2HZ LYS 112 2HZ LYS 112 12.428 -11.707 3.949 845 3HZ LYS 112 3HZ LYS 112 11.005 -11.024 3.343 846 H TYR 113 H TYR 113 7.398 -6.164 0.566 847 HA TYR 113 HA TYR 113 8.346 -3.499 0.740 848 1HB TYR 113 1HB TYR 113 7.238 -4.540 -1.257 849 2HB TYR 113 2HB TYR 113 5.706 -4.418 -0.399 850 HD1 TYR 113 1HD TYR 113 4.509 -2.380 -0.324 851 HD2 TYR 113 2HD TYR 113 8.480 -2.438 -1.852 852 HE1 TYR 113 1HE TYR 113 4.214 -0.088 -1.157 853 HE2 TYR 113 2HE TYR 113 8.196 -0.142 -2.689 854 HH TYR 113 HH TYR 113 5.626 1.848 -1.752 855 H THR 114 H THR 114 5.095 -4.740 1.578 856 HA THR 114 HA THR 114 4.090 -2.510 2.780 857 HB THR 114 HB THR 114 2.633 -4.348 2.415 858 HG1 THR 114 1HG THR 114 2.961 -3.854 5.204 859 1HG2 THR 114 1HG2 THR 114 4.488 -6.072 2.972 860 2HG2 THR 114 2HG2 THR 114 2.811 -6.479 3.330 861 3HG2 THR 114 3HG2 THR 114 3.882 -5.947 4.624 862 H ASP 115 H ASP 115 5.687 -5.162 4.578 863 HA ASP 115 HA ASP 115 5.711 -4.347 7.106 864 1HB ASP 115 1HB ASP 115 8.192 -5.221 5.610 865 2HB ASP 115 2HB ASP 115 7.988 -5.264 7.362 866 H CYS 116 H CYS 116 8.108 -3.102 4.779 867 HA CYS 116 HA CYS 116 9.444 -1.340 6.414 868 1HB CYS 116 1HB CYS 116 10.485 -1.461 4.396 869 2HB CYS 116 2HB CYS 116 8.972 -1.547 3.501 870 H TYR 117 H TYR 117 6.537 -0.663 4.471 871 HA TYR 117 HA TYR 117 6.300 2.044 5.048 872 1HB TYR 117 1HB TYR 117 4.692 0.027 3.827 873 2HB TYR 117 2HB TYR 117 3.680 0.954 4.930 874 HD1 TYR 117 1HD TYR 117 3.294 3.336 4.560 875 HD2 TYR 117 2HD TYR 117 5.649 1.049 1.855 876 HE1 TYR 117 1HE TYR 117 3.114 5.134 2.891 877 HE2 TYR 117 2HE TYR 117 5.477 2.840 0.179 878 HH TYR 117 HH TYR 117 4.002 4.718 -0.364 879 H ILE 118 H ILE 118 5.337 -0.747 6.955 880 HA ILE 118 HA ILE 118 3.926 0.843 8.898 881 HB ILE 118 HB ILE 118 4.693 -2.070 8.862 882 1HG1 ILE 118 1HG1 ILE 118 2.106 -2.213 8.817 883 2HG1 ILE 118 2HG1 ILE 118 2.173 -0.517 8.356 884 1HG2 ILE 118 1HG2 ILE 118 3.212 -2.306 10.836 885 2HG2 ILE 118 2HG2 ILE 118 3.140 -0.547 10.946 886 3HG2 ILE 118 3HG2 ILE 118 4.678 -1.383 11.165 887 1HD1 ILE 118 1HD1 ILE 118 3.398 -1.047 6.369 888 2HD1 ILE 118 2HD1 ILE 118 1.955 -2.055 6.445 889 3HD1 ILE 118 3HD1 ILE 118 3.530 -2.738 6.853 890 H GLU 119 H GLU 119 7.150 -0.392 8.472 891 HA GLU 119 HA GLU 119 7.963 -0.148 11.190 892 1HB GLU 119 1HB GLU 119 9.133 -1.586 9.566 893 2HB GLU 119 2HB GLU 119 9.643 -0.158 8.678 894 1HG GLU 119 1HG GLU 119 11.446 -0.978 10.052 895 2HG GLU 119 2HG GLU 119 10.910 0.598 10.632 896 H LYS 120 H LYS 120 8.358 1.924 8.334 897 HA LYS 120 HA LYS 120 9.616 4.006 9.908 898 1HB LYS 120 1HB LYS 120 8.849 3.890 6.988 899 2HB LYS 120 2HB LYS 120 9.723 5.215 7.744 900 1HG LYS 120 1HG LYS 120 10.757 2.402 7.824 901 2HG LYS 120 2HG LYS 120 11.082 3.486 6.467 902 1HD LYS 120 1HD LYS 120 12.025 5.127 8.082 903 2HD LYS 120 2HD LYS 120 11.820 3.927 9.358 904 1HE LYS 120 1HE LYS 120 13.313 2.403 8.177 905 2HE LYS 120 2HE LYS 120 13.492 3.574 6.872 906 1HZ LYS 120 1HZ LYS 120 14.480 5.118 8.469 907 2HZ LYS 120 2HZ LYS 120 15.367 3.682 8.366 908 3HZ LYS 120 3HZ LYS 120 14.350 3.956 9.690 909 H LEU 121 H LEU 121 6.752 3.865 7.783 910 HA LEU 121 HA LEU 121 5.750 6.311 9.025 911 1HB LEU 121 1HB LEU 121 5.887 6.046 6.540 912 2HB LEU 121 2HB LEU 121 4.646 4.816 6.660 913 HG LEU 121 HG LEU 121 3.124 6.517 7.643 914 1HD1 LEU 121 1HD1 LEU 121 3.704 8.884 7.352 915 2HD1 LEU 121 2HD1 LEU 121 5.327 8.415 6.849 916 3HD1 LEU 121 3HD1 LEU 121 4.781 8.076 8.492 917 1HD2 LEU 121 1HD2 LEU 121 4.222 7.153 4.910 918 2HD2 LEU 121 2HD2 LEU 121 2.631 7.607 5.524 919 3HD2 LEU 121 3HD2 LEU 121 3.031 5.907 5.280 920 H PHE 122 H PHE 122 5.294 2.979 9.396 921 HA PHE 122 HA PHE 122 3.827 1.790 10.677 922 1HB PHE 122 1HB PHE 122 3.383 3.071 12.470 923 2HB PHE 122 2HB PHE 122 3.297 4.539 11.507 924 HD1 PHE 122 1HD PHE 122 1.349 1.566 12.553 925 HD2 PHE 122 2HD PHE 122 1.242 5.542 11.042 926 HE1 PHE 122 1HE PHE 122 -1.091 1.609 12.851 927 HE2 PHE 122 2HE PHE 122 -1.199 5.595 11.337 928 HZ PHE 122 HZ PHE 122 -2.371 3.629 12.243 929 H SER 123 H SER 123 2.738 3.946 8.213 930 HA SER 123 HA SER 123 0.975 3.903 6.763 931 1HB SER 123 1HB SER 123 2.209 1.944 5.985 932 2HB SER 123 2HB SER 123 1.372 0.928 7.159 933 HG SER 123 HG SER 123 0.168 2.352 5.016 934 1H4 TSD 124 1H4 TSP 124 1.411 -1.069 -1.459 935 2H4 TSD 124 2H4 TSP 124 -0.050 -1.868 -0.926 936 3H4 TSD 124 3H4 TSP 124 1.383 -1.911 0.073 937 1H5 TSD 124 1H5 TSP 124 -1.322 1.809 -0.622 938 2H5 TSD 124 2H5 TSP 124 -0.604 0.878 -1.917 939 3H5 TSD 124 3H5 TSP 124 0.297 2.179 -1.173 940 1H6 TSD 124 1H6 TSP 124 2.030 0.304 1.870 941 2H6 TSD 124 2H6 TSP 124 1.372 1.894 1.560 942 3H6 TSD 124 3H6 TSP 124 2.477 1.169 0.418 943 1D3 TSD 124 1D3 TSP 124 -1.847 -0.647 0.897 944 2D3 TSD 124 2D3 TSP 124 -0.621 -0.933 2.116 945 1D2 TSD 124 1D2 TSP 124 -2.051 1.693 1.608 946 2D2 TSD 124 2D2 TSP 124 -0.761 1.466 2.786 Start of MODEL 4 1 HA ILE 1 HA ILE 1 1.089 10.637 10.563 2 HB ILE 1 HB ILE 1 -0.716 11.334 8.245 3 1HG1 ILE 1 1HG1 ILE 1 2.275 11.747 8.416 4 2HG1 ILE 1 2HG1 ILE 1 1.524 10.423 7.534 5 1HG2 ILE 1 1HG2 ILE 1 -0.725 12.860 10.192 6 2HG2 ILE 1 2HG2 ILE 1 -0.096 13.614 8.727 7 3HG2 ILE 1 3HG2 ILE 1 1.013 13.081 9.991 8 1HD1 ILE 1 1HD1 ILE 1 1.125 13.352 6.976 9 2HD1 ILE 1 2HD1 ILE 1 0.400 12.018 6.080 10 3HD1 ILE 1 3HD1 ILE 1 2.148 12.249 6.056 11 H ASP 2 H ASP 2 -2.075 10.500 8.975 12 HA ASP 2 HA ASP 2 -3.327 10.145 11.618 13 1HB ASP 2 1HB ASP 2 -4.207 11.985 9.385 14 2HB ASP 2 2HB ASP 2 -5.168 11.633 10.819 15 H GLN 3 H GLN 3 -5.088 8.810 11.729 16 HA GLN 3 HA GLN 3 -5.330 6.733 9.900 17 1HB GLN 3 1HB GLN 3 -7.061 5.917 11.222 18 2HB GLN 3 2HB GLN 3 -6.141 6.901 12.346 19 1HG GLN 3 1HG GLN 3 -8.535 7.991 10.913 20 2HG GLN 3 2HG GLN 3 -8.687 7.056 12.397 21 1HE2 GLN 3 1HE2 GLN 3 -9.513 8.760 13.561 22 2HE2 GLN 3 2HE2 GLN 3 -8.559 10.117 14.042 23 H ASP 4 H ASP 4 -7.100 9.748 10.149 24 HA ASP 4 HA ASP 4 -9.094 9.156 8.243 25 1HB ASP 4 1HB ASP 4 -9.338 11.002 9.817 26 2HB ASP 4 2HB ASP 4 -7.963 11.831 9.091 27 H THR 5 H THR 5 -6.105 11.071 7.915 28 HA THR 5 HA THR 5 -6.297 11.599 5.186 29 HB THR 5 HB THR 5 -3.837 11.933 5.236 30 HG1 THR 5 1HG THR 5 -2.692 11.435 7.043 31 1HG2 THR 5 1HG2 THR 5 -5.297 13.754 5.896 32 2HG2 THR 5 2HG2 THR 5 -3.857 13.745 6.915 33 3HG2 THR 5 3HG2 THR 5 -5.384 13.123 7.539 34 H VAL 6 H VAL 6 -5.032 8.767 6.832 35 HA VAL 6 HA VAL 6 -4.007 7.666 4.350 36 HB VAL 6 HB VAL 6 -4.118 6.411 7.092 37 1HG1 VAL 6 1HG1 VAL 6 -3.964 4.739 5.340 38 2HG1 VAL 6 2HG1 VAL 6 -2.424 4.868 6.190 39 3HG1 VAL 6 3HG1 VAL 6 -2.619 5.606 4.600 40 1HG2 VAL 6 1HG2 VAL 6 -2.753 8.433 7.060 41 2HG2 VAL 6 2HG2 VAL 6 -1.857 7.818 5.672 42 3HG2 VAL 6 3HG2 VAL 6 -1.745 6.996 7.228 43 H VAL 7 H VAL 7 -6.211 6.335 6.826 44 HA VAL 7 HA VAL 7 -7.176 4.244 5.257 45 HB VAL 7 HB VAL 7 -8.647 5.629 7.496 46 1HG1 VAL 7 1HG1 VAL 7 -10.070 4.124 6.232 47 2HG1 VAL 7 2HG1 VAL 7 -9.714 3.441 7.818 48 3HG1 VAL 7 3HG1 VAL 7 -8.879 2.834 6.387 49 1HG2 VAL 7 1HG2 VAL 7 -6.667 3.355 7.600 50 2HG2 VAL 7 2HG2 VAL 7 -7.602 3.970 8.963 51 3HG2 VAL 7 3HG2 VAL 7 -6.397 4.996 8.185 52 H ALA 8 H ALA 8 -8.981 7.220 6.075 53 HA ALA 8 HA ALA 8 -11.168 6.724 4.440 54 1HB ALA 8 1HB ALA 8 -11.061 8.430 6.226 55 2HB ALA 8 2HB ALA 8 -11.752 9.030 4.720 56 3HB ALA 8 3HB ALA 8 -10.094 9.443 5.154 57 H LYS 9 H LYS 9 -8.018 7.913 3.513 58 HA LYS 9 HA LYS 9 -9.018 8.891 0.962 59 1HB LYS 9 1HB LYS 9 -6.352 8.913 2.312 60 2HB LYS 9 2HB LYS 9 -6.449 9.179 0.578 61 1HG LYS 9 1HG LYS 9 -6.404 11.289 1.760 62 2HG LYS 9 2HG LYS 9 -7.958 11.069 0.953 63 1HD LYS 9 1HD LYS 9 -8.917 10.305 3.106 64 2HD LYS 9 2HD LYS 9 -7.371 10.648 3.884 65 1HE LYS 9 1HE LYS 9 -9.118 12.654 2.459 66 2HE LYS 9 2HE LYS 9 -8.976 12.472 4.206 67 1HZ LYS 9 1HZ LYS 9 -6.636 13.056 4.040 68 2HZ LYS 9 2HZ LYS 9 -7.604 14.283 3.391 69 3HZ LYS 9 3HZ LYS 9 -6.774 13.228 2.362 70 H TYR 10 H TYR 10 -6.657 6.423 2.002 71 HA TYR 10 HA TYR 10 -6.224 5.305 -0.513 72 1HB TYR 10 1HB TYR 10 -5.902 4.323 2.289 73 2HB TYR 10 2HB TYR 10 -5.765 3.164 0.969 74 HD1 TYR 10 1HD TYR 10 -4.083 3.696 -0.894 75 HD2 TYR 10 2HD TYR 10 -4.068 5.655 2.880 76 HE1 TYR 10 1HE TYR 10 -1.749 4.376 -1.263 77 HE2 TYR 10 2HE TYR 10 -1.735 6.342 2.522 78 HH TYR 10 HH TYR 10 -0.194 6.117 -0.490 79 H MET 11 H MET 11 -8.915 5.029 1.620 80 HA MET 11 HA MET 11 -9.956 2.625 0.404 81 1HB MET 11 1HB MET 11 -10.981 4.543 2.481 82 2HB MET 11 2HB MET 11 -12.026 3.306 1.798 83 1HG MET 11 1HG MET 11 -10.094 1.697 2.472 84 2HG MET 11 2HG MET 11 -9.633 3.015 3.550 85 1HE MET 11 1HE MET 11 -13.005 3.406 5.623 86 2HE MET 11 2HE MET 11 -12.783 4.122 4.027 87 3HE MET 11 3HE MET 11 -11.470 4.166 5.201 88 H GLU 12 H GLU 12 -11.042 6.015 0.581 89 HA GLU 12 HA GLU 12 -13.124 5.752 -1.288 90 1HB GLU 12 1HB GLU 12 -12.825 7.613 0.366 91 2HB GLU 12 2HB GLU 12 -11.553 8.254 -0.663 92 1HG GLU 12 1HG GLU 12 -14.299 7.776 -1.748 93 2HG GLU 12 2HG GLU 12 -13.928 9.235 -0.833 94 H TYR 13 H TYR 13 -9.710 6.151 -1.688 95 HA TYR 13 HA TYR 13 -9.517 7.340 -4.177 96 1HB TYR 13 1HB TYR 13 -7.641 6.653 -2.583 97 2HB TYR 13 2HB TYR 13 -7.752 5.054 -3.309 98 HD1 TYR 13 1HD TYR 13 -6.686 8.514 -3.797 99 HD2 TYR 13 2HD TYR 13 -7.068 4.693 -5.634 100 HE1 TYR 13 1HE TYR 13 -5.182 9.242 -5.603 101 HE2 TYR 13 2HE TYR 13 -5.565 5.407 -7.444 102 HH TYR 13 HH TYR 13 -4.815 7.522 -8.492 103 H LEU 14 H LEU 14 -9.957 3.888 -3.424 104 HA LEU 14 HA LEU 14 -11.218 3.499 -6.010 105 1HB LEU 14 1HB LEU 14 -8.634 2.188 -5.226 106 2HB LEU 14 2HB LEU 14 -9.729 1.432 -6.361 107 HG LEU 14 HG LEU 14 -8.465 4.148 -6.731 108 1HD1 LEU 14 1HD1 LEU 14 -7.820 1.518 -8.052 109 2HD1 LEU 14 2HD1 LEU 14 -6.831 2.323 -6.836 110 3HD1 LEU 14 3HD1 LEU 14 -7.079 3.078 -8.410 111 1HD2 LEU 14 1HD2 LEU 14 -10.627 3.955 -7.838 112 2HD2 LEU 14 2HD2 LEU 14 -10.112 2.453 -8.604 113 3HD2 LEU 14 3HD2 LEU 14 -9.317 3.972 -9.019 114 H MET 15 H MET 15 -12.402 3.405 -3.528 115 HA MET 15 HA MET 15 -12.473 1.004 -2.179 116 1HB MET 15 1HB MET 15 -13.664 3.199 -1.636 117 2HB MET 15 2HB MET 15 -14.948 2.629 -2.690 118 1HG MET 15 1HG MET 15 -15.226 0.651 -1.290 119 2HG MET 15 2HG MET 15 -13.938 1.225 -0.234 120 1HE MET 15 1HE MET 15 -17.587 1.735 -1.493 121 2HE MET 15 2HE MET 15 -16.852 3.258 -1.992 122 3HE MET 15 3HE MET 15 -18.060 3.242 -0.707 123 HA PRO 16 HA PRO 16 -16.012 -0.535 -5.158 124 1HB PRO 16 1HB PRO 16 -15.928 0.494 -7.692 125 2HB PRO 16 2HB PRO 16 -16.972 1.116 -6.409 126 1HG PRO 16 1HG PRO 16 -14.325 2.136 -7.360 127 2HG PRO 16 2HG PRO 16 -15.788 3.044 -6.933 128 1HD PRO 16 1HD PRO 16 -13.708 2.843 -5.246 129 2HD PRO 16 2HD PRO 16 -15.383 2.874 -4.661 130 H ASP 17 H ASP 17 -12.875 0.400 -6.474 131 HA ASP 17 HA ASP 17 -12.705 -1.989 -8.099 132 1HB ASP 17 1HB ASP 17 -10.617 0.121 -7.528 133 2HB ASP 17 2HB ASP 17 -10.493 -1.145 -8.742 134 H ILE 18 H ILE 18 -12.173 -1.249 -4.873 135 HA ILE 18 HA ILE 18 -9.966 -3.098 -4.486 136 HB ILE 18 HB ILE 18 -11.559 -1.342 -2.639 137 1HG1 ILE 18 1HG1 ILE 18 -8.580 -1.591 -3.107 138 2HG1 ILE 18 2HG1 ILE 18 -9.619 -0.454 -3.957 139 1HG2 ILE 18 1HG2 ILE 18 -10.199 -2.217 -0.756 140 2HG2 ILE 18 2HG2 ILE 18 -9.628 -3.506 -1.815 141 3HG2 ILE 18 3HG2 ILE 18 -11.339 -3.396 -1.405 142 1HD1 ILE 18 1HD1 ILE 18 -9.111 -0.520 -0.994 143 2HD1 ILE 18 2HD1 ILE 18 -10.181 0.609 -1.826 144 3HD1 ILE 18 3HD1 ILE 18 -8.446 0.637 -2.146 145 H MET 19 H MET 19 -13.437 -3.066 -4.236 146 HA MET 19 HA MET 19 -13.906 -5.221 -2.559 147 1HB MET 19 1HB MET 19 -15.485 -4.432 -5.011 148 2HB MET 19 2HB MET 19 -16.063 -5.459 -3.706 149 1HG MET 19 1HG MET 19 -15.262 -2.570 -3.449 150 2HG MET 19 2HG MET 19 -16.911 -3.185 -3.516 151 1HE MET 19 1HE MET 19 -15.809 -1.268 -1.142 152 2HE MET 19 2HE MET 19 -16.628 -2.054 0.207 153 3HE MET 19 3HE MET 19 -17.463 -1.850 -1.332 154 HA PRO 20 HA PRO 20 -13.803 -7.868 -6.906 155 1HB PRO 20 1HB PRO 20 -11.150 -6.561 -7.418 156 2HB PRO 20 2HB PRO 20 -12.263 -7.313 -8.566 157 1HG PRO 20 1HG PRO 20 -12.188 -4.664 -8.275 158 2HG PRO 20 2HG PRO 20 -13.719 -5.516 -8.544 159 1HD PRO 20 1HD PRO 20 -12.698 -4.211 -6.101 160 2HD PRO 20 2HD PRO 20 -14.368 -4.578 -6.570 161 H CYS 21 H CYS 21 -10.813 -6.876 -5.204 162 HA CYS 21 HA CYS 21 -9.965 -9.641 -4.989 163 1HB CYS 21 1HB CYS 21 -8.692 -7.117 -3.910 164 2HB CYS 21 2HB CYS 21 -7.953 -8.715 -3.924 165 H ALA 22 H ALA 22 -11.259 -7.129 -2.883 166 HA ALA 22 HA ALA 22 -10.802 -8.456 -0.434 167 1HB ALA 22 1HB ALA 22 -11.339 -6.085 -0.525 168 2HB ALA 22 2HB ALA 22 -12.500 -6.942 0.488 169 3HB ALA 22 3HB ALA 22 -12.948 -6.456 -1.147 170 H ASP 23 H ASP 23 -12.862 -9.192 -2.997 171 HA ASP 23 HA ASP 23 -14.922 -10.472 -1.419 172 1HB ASP 23 1HB ASP 23 -15.433 -9.404 -3.601 173 2HB ASP 23 2HB ASP 23 -14.419 -10.600 -4.400 174 H GLU 24 H GLU 24 -12.355 -11.523 -3.650 175 HA GLU 24 HA GLU 24 -12.740 -14.304 -2.976 176 1HB GLU 24 1HB GLU 24 -11.886 -13.187 -5.219 177 2HB GLU 24 2HB GLU 24 -10.322 -13.305 -4.423 178 1HG GLU 24 1HG GLU 24 -12.189 -15.611 -4.924 179 2HG GLU 24 2HG GLU 24 -10.775 -15.208 -5.896 180 H LEU 25 H LEU 25 -10.094 -11.972 -2.634 181 HA LEU 25 HA LEU 25 -8.707 -13.640 -0.714 182 1HB LEU 25 1HB LEU 25 -8.128 -10.862 -1.699 183 2HB LEU 25 2HB LEU 25 -7.039 -11.843 -0.739 184 HG LEU 25 HG LEU 25 -7.982 -12.656 -3.487 185 1HD1 LEU 25 1HD1 LEU 25 -5.470 -11.181 -2.711 186 2HD1 LEU 25 2HD1 LEU 25 -6.797 -10.550 -3.686 187 3HD1 LEU 25 3HD1 LEU 25 -5.803 -11.871 -4.299 188 1HD2 LEU 25 1HD2 LEU 25 -7.157 -14.459 -2.055 189 2HD2 LEU 25 2HD2 LEU 25 -5.665 -13.560 -1.777 190 3HD2 LEU 25 3HD2 LEU 25 -6.052 -14.148 -3.395 191 H HIS 26 H HIS 26 -11.258 -12.812 0.083 192 HA HIS 26 HA HIS 26 -11.337 -10.551 1.732 193 1HB HIS 26 1HB HIS 26 -13.323 -11.838 0.911 194 2HB HIS 26 2HB HIS 26 -12.933 -13.097 2.076 195 HD1 HIS 26 1HD HIS 26 -14.366 -9.661 1.808 196 HD2 HIS 26 2HD HIS 26 -13.538 -12.475 4.752 197 HE1 HIS 26 1HE HIS 26 -15.567 -8.856 3.864 198 HE2 HIS 26 2HE HIS 26 -15.017 -10.552 5.646 199 H ILE 27 H ILE 27 -9.214 -10.788 2.703 200 HA ILE 27 HA ILE 27 -9.402 -11.794 5.385 201 HB ILE 27 HB ILE 27 -7.098 -12.996 5.059 202 1HG1 ILE 27 1HG1 ILE 27 -8.325 -13.212 2.299 203 2HG1 ILE 27 2HG1 ILE 27 -6.800 -12.431 2.707 204 1HG2 ILE 27 1HG2 ILE 27 -9.596 -14.396 4.127 205 2HG2 ILE 27 2HG2 ILE 27 -9.262 -13.998 5.811 206 3HG2 ILE 27 3HG2 ILE 27 -8.201 -15.105 4.941 207 1HD1 ILE 27 1HD1 ILE 27 -6.368 -14.572 1.719 208 2HD1 ILE 27 2HD1 ILE 27 -7.425 -15.369 2.883 209 3HD1 ILE 27 3HD1 ILE 27 -5.919 -14.625 3.424 210 H SER 28 H SER 28 -9.243 -9.253 4.793 211 HA SER 28 HA SER 28 -6.771 -8.092 4.248 212 1HB SER 28 1HB SER 28 -8.873 -6.909 6.061 213 2HB SER 28 2HB SER 28 -7.675 -6.047 5.095 214 HG SER 28 HG SER 28 -9.803 -7.637 4.091 215 H GLU 29 H GLU 29 -5.732 -6.543 5.964 216 HA GLU 29 HA GLU 29 -4.131 -7.991 7.634 217 1HB GLU 29 1HB GLU 29 -4.988 -5.253 8.498 218 2HB GLU 29 2HB GLU 29 -3.388 -5.980 8.541 219 1HG GLU 29 1HG GLU 29 -3.243 -5.811 6.112 220 2HG GLU 29 2HG GLU 29 -4.849 -5.089 6.069 221 H ASP 30 H ASP 30 -7.424 -7.152 8.164 222 HA ASP 30 HA ASP 30 -7.318 -7.483 11.034 223 1HB ASP 30 1HB ASP 30 -8.915 -5.912 10.036 224 2HB ASP 30 2HB ASP 30 -9.692 -7.238 9.177 225 H ILE 31 H ILE 31 -9.161 -9.171 8.497 226 HA ILE 31 HA ILE 31 -9.673 -11.441 10.153 227 HB ILE 31 HB ILE 31 -9.968 -11.219 7.153 228 1HG1 ILE 31 1HG1 ILE 31 -11.162 -9.397 8.291 229 2HG1 ILE 31 2HG1 ILE 31 -12.285 -10.547 7.576 230 1HG2 ILE 31 1HG2 ILE 31 -11.203 -13.071 9.182 231 2HG2 ILE 31 2HG2 ILE 31 -10.126 -13.498 7.853 232 3HG2 ILE 31 3HG2 ILE 31 -11.758 -12.923 7.515 233 1HD1 ILE 31 1HD1 ILE 31 -12.669 -11.544 9.761 234 2HD1 ILE 31 2HD1 ILE 31 -13.018 -9.815 9.779 235 3HD1 ILE 31 3HD1 ILE 31 -11.519 -10.421 10.484 236 H ALA 32 H ALA 32 -6.951 -10.450 8.541 237 HA ALA 32 HA ALA 32 -5.901 -12.651 7.259 238 1HB ALA 32 1HB ALA 32 -4.846 -10.425 7.316 239 2HB ALA 32 2HB ALA 32 -3.712 -11.718 7.703 240 3HB ALA 32 3HB ALA 32 -4.371 -10.713 8.991 241 H THR 33 H THR 33 -5.456 -11.787 10.686 242 HA THR 33 HA THR 33 -5.787 -14.367 11.690 243 HB THR 33 HB THR 33 -3.808 -15.114 10.641 244 HG1 THR 33 1HG THR 33 -3.643 -15.901 12.651 245 1HG2 THR 33 1HG2 THR 33 -1.660 -13.957 10.784 246 2HG2 THR 33 2HG2 THR 33 -2.408 -12.664 11.721 247 3HG2 THR 33 3HG2 THR 33 -2.880 -12.920 10.041 248 H ASN 34 H ASN 34 -6.671 -13.671 13.528 249 HA ASN 34 HA ASN 34 -5.598 -11.402 14.957 250 1HB ASN 34 1HB ASN 34 -7.479 -11.757 16.496 251 2HB ASN 34 2HB ASN 34 -8.023 -11.733 14.821 252 1HD2 ASN 34 1HD2 ASN 34 -7.461 -13.710 17.626 253 2HD2 ASN 34 2HD2 ASN 34 -8.372 -15.077 17.094 254 H ILE 35 H ILE 35 -4.192 -14.139 14.695 255 HA ILE 35 HA ILE 35 -3.405 -14.276 17.515 256 HB ILE 35 HB ILE 35 -3.268 -16.748 17.393 257 1HG1 ILE 35 1HG1 ILE 35 -4.937 -16.460 14.887 258 2HG1 ILE 35 2HG1 ILE 35 -3.219 -16.845 14.883 259 1HG2 ILE 35 1HG2 ILE 35 -6.012 -15.575 16.958 260 2HG2 ILE 35 2HG2 ILE 35 -5.150 -15.681 18.493 261 3HG2 ILE 35 3HG2 ILE 35 -5.675 -17.152 17.674 262 1HD1 ILE 35 1HD1 ILE 35 -5.389 -18.509 16.138 263 2HD1 ILE 35 2HD1 ILE 35 -3.670 -18.900 16.105 264 3HD1 ILE 35 3HD1 ILE 35 -4.588 -18.835 14.601 265 H GLN 36 H GLN 36 -2.349 -13.390 14.741 266 HA GLN 36 HA GLN 36 0.365 -14.307 15.207 267 1HB GLN 36 1HB GLN 36 -1.086 -14.788 12.599 268 2HB GLN 36 2HB GLN 36 0.664 -14.833 12.756 269 1HG GLN 36 1HG GLN 36 0.484 -16.672 14.343 270 2HG GLN 36 2HG GLN 36 -1.273 -16.618 14.213 271 1HE2 GLN 36 1HE2 GLN 36 -1.208 -16.064 11.352 272 2HE2 GLN 36 2HE2 GLN 36 -0.785 -17.551 10.582 273 H ALA 37 H ALA 37 1.753 -12.681 14.914 274 HA ALA 37 HA ALA 37 0.731 -10.150 13.989 275 1HB ALA 37 1HB ALA 37 2.130 -10.280 15.992 276 2HB ALA 37 2HB ALA 37 2.837 -9.227 14.764 277 3HB ALA 37 3HB ALA 37 3.477 -10.853 15.007 278 H ALA 38 H ALA 38 3.152 -12.498 12.952 279 HA ALA 38 HA ALA 38 4.215 -12.824 10.974 280 1HB ALA 38 1HB ALA 38 1.911 -12.785 10.098 281 2HB ALA 38 2HB ALA 38 3.098 -12.192 8.936 282 3HB ALA 38 3HB ALA 38 2.076 -11.053 9.810 283 H LYS 39 H LYS 39 3.187 -9.699 9.766 284 HA LYS 39 HA LYS 39 5.987 -8.829 9.906 285 1HB LYS 39 1HB LYS 39 4.810 -9.012 7.680 286 2HB LYS 39 2HB LYS 39 3.806 -7.663 8.185 287 1HG LYS 39 1HG LYS 39 5.461 -6.676 6.890 288 2HG LYS 39 2HG LYS 39 6.011 -6.407 8.545 289 1HD LYS 39 1HD LYS 39 6.925 -8.868 7.147 290 2HD LYS 39 2HD LYS 39 7.635 -7.326 6.663 291 1HE LYS 39 1HE LYS 39 8.246 -6.901 9.012 292 2HE LYS 39 2HE LYS 39 7.588 -8.475 9.452 293 1HZ LYS 39 1HZ LYS 39 9.853 -8.009 7.590 294 2HZ LYS 39 2HZ LYS 39 9.220 -9.520 8.008 295 3HZ LYS 39 3HZ LYS 39 9.981 -8.569 9.181 296 H ASN 40 H ASN 40 2.774 -7.268 9.959 297 HA ASN 40 HA ASN 40 3.762 -5.508 12.104 298 1HB ASN 40 1HB ASN 40 1.989 -4.707 9.786 299 2HB ASN 40 2HB ASN 40 2.455 -3.663 11.125 300 1HD2 ASN 40 1HD2 ASN 40 3.477 -5.214 8.207 301 2HD2 ASN 40 2HD2 ASN 40 4.976 -4.371 8.040 302 H GLY 41 H GLY 41 2.216 -7.972 12.259 303 1HA GLY 41 1HA GLY 41 0.630 -8.386 14.023 304 2HA GLY 41 2HA GLY 41 -0.161 -6.872 13.609 305 H ALA 42 H ALA 42 0.310 -7.784 10.689 306 HA ALA 42 HA ALA 42 -2.269 -9.081 10.427 307 1HB ALA 42 1HB ALA 42 -2.176 -8.503 8.143 308 2HB ALA 42 2HB ALA 42 -0.428 -8.276 8.191 309 3HB ALA 42 3HB ALA 42 -1.489 -7.134 9.015 310 H ASP 43 H ASP 43 -1.246 -10.239 7.771 311 HA ASP 43 HA ASP 43 -0.194 -12.729 8.924 312 1HB ASP 43 1HB ASP 43 -2.396 -12.943 7.855 313 2HB ASP 43 2HB ASP 43 -1.733 -12.308 6.353 314 H MET 44 H MET 44 0.564 -10.111 6.911 315 HA MET 44 HA MET 44 2.440 -9.552 5.745 316 1HB MET 44 1HB MET 44 3.640 -10.740 7.583 317 2HB MET 44 2HB MET 44 3.549 -12.221 6.646 318 1HG MET 44 1HG MET 44 4.841 -11.052 4.835 319 2HG MET 44 2HG MET 44 5.057 -9.713 5.963 320 1HE MET 44 1HE MET 44 7.651 -9.920 5.567 321 2HE MET 44 2HE MET 44 7.499 -11.348 4.544 322 3HE MET 44 3HE MET 44 8.602 -11.362 5.919 323 H SER 45 H SER 45 2.412 -13.088 5.305 324 HA SER 45 HA SER 45 3.114 -13.177 2.669 325 1HB SER 45 1HB SER 45 2.982 -15.169 4.056 326 2HB SER 45 2HB SER 45 1.225 -15.033 4.127 327 HG SER 45 HG SER 45 2.868 -15.733 1.949 328 H GLN 46 H GLN 46 -0.174 -12.740 3.949 329 HA GLN 46 HA GLN 46 -1.254 -12.764 1.258 330 1HB GLN 46 1HB GLN 46 -2.429 -13.763 3.271 331 2HB GLN 46 2HB GLN 46 -2.765 -12.112 3.777 332 1HG GLN 46 1HG GLN 46 -4.644 -13.122 2.578 333 2HG GLN 46 2HG GLN 46 -4.010 -11.700 1.752 334 1HE2 GLN 46 1HE2 GLN 46 -2.839 -11.967 -0.169 335 2HE2 GLN 46 2HE2 GLN 46 -2.931 -13.419 -1.102 336 H LEU 47 H LEU 47 -0.332 -10.398 3.652 337 HA LEU 47 HA LEU 47 -1.828 -8.231 2.601 338 1HB LEU 47 1HB LEU 47 0.239 -8.615 4.607 339 2HB LEU 47 2HB LEU 47 0.463 -7.121 3.718 340 HG LEU 47 HG LEU 47 -1.895 -6.511 4.278 341 1HD1 LEU 47 1HD1 LEU 47 -3.007 -7.720 6.079 342 2HD1 LEU 47 2HD1 LEU 47 -1.707 -8.911 6.091 343 3HD1 LEU 47 3HD1 LEU 47 -2.752 -8.757 4.678 344 1HD2 LEU 47 1HD2 LEU 47 -1.399 -5.954 6.633 345 2HD2 LEU 47 2HD2 LEU 47 -0.065 -5.580 5.544 346 3HD2 LEU 47 3HD2 LEU 47 0.005 -7.018 6.562 347 H GLY 48 H GLY 48 0.672 -9.942 1.257 348 1HA GLY 48 1HA GLY 48 1.762 -7.649 -0.194 349 2HA GLY 48 2HA GLY 48 2.370 -9.303 -0.255 350 H CYS 49 H CYS 49 -0.950 -9.315 -0.442 351 HA CYS 49 HA CYS 49 -0.950 -9.211 -3.371 352 1HB CYS 49 1HB CYS 49 -1.937 -11.403 -1.596 353 2HB CYS 49 2HB CYS 49 -2.619 -11.163 -3.198 354 H LEU 50 H LEU 50 -3.378 -9.940 -0.850 355 HA LEU 50 HA LEU 50 -5.512 -8.677 -2.080 356 1HB LEU 50 1HB LEU 50 -5.881 -10.057 -0.139 357 2HB LEU 50 2HB LEU 50 -4.906 -8.996 0.861 358 HG LEU 50 HG LEU 50 -6.617 -7.194 0.468 359 1HD1 LEU 50 1HD1 LEU 50 -8.788 -7.787 -0.355 360 2HD1 LEU 50 2HD1 LEU 50 -8.299 -9.468 -0.564 361 3HD1 LEU 50 3HD1 LEU 50 -7.587 -8.212 -1.576 362 1HD2 LEU 50 1HD2 LEU 50 -7.482 -9.733 1.830 363 2HD2 LEU 50 2HD2 LEU 50 -8.239 -8.158 2.053 364 3HD2 LEU 50 3HD2 LEU 50 -6.564 -8.408 2.540 365 H LYS 51 H LYS 51 -3.382 -7.353 0.445 366 HA LYS 51 HA LYS 51 -4.322 -4.709 0.238 367 1HB LYS 51 1HB LYS 51 -2.894 -5.792 2.094 368 2HB LYS 51 2HB LYS 51 -1.517 -5.446 1.057 369 1HG LYS 51 1HG LYS 51 -1.432 -3.510 2.159 370 2HG LYS 51 2HG LYS 51 -2.773 -3.034 1.112 371 1HD LYS 51 1HD LYS 51 -3.106 -4.337 3.812 372 2HD LYS 51 2HD LYS 51 -3.159 -2.595 3.539 373 1HE LYS 51 1HE LYS 51 -5.054 -2.909 2.007 374 2HE LYS 51 2HE LYS 51 -5.006 -4.644 2.314 375 1HZ LYS 51 1HZ LYS 51 -5.475 -4.196 4.649 376 2HZ LYS 51 2HZ LYS 51 -6.695 -3.578 3.655 377 3HZ LYS 51 3HZ LYS 51 -5.548 -2.535 4.334 378 H ALA 52 H ALA 52 -2.168 -6.628 -1.680 379 HA ALA 52 HA ALA 52 -0.824 -4.392 -2.939 380 1HB ALA 52 1HB ALA 52 -0.934 -7.275 -3.819 381 2HB ALA 52 2HB ALA 52 0.247 -6.610 -2.691 382 3HB ALA 52 3HB ALA 52 0.207 -6.045 -4.362 383 H CYS 53 H CYS 53 -3.824 -5.952 -3.282 384 HA CYS 53 HA CYS 53 -4.271 -5.717 -6.041 385 1HB CYS 53 1HB CYS 53 -5.744 -6.992 -4.522 386 2HB CYS 53 2HB CYS 53 -6.286 -5.483 -3.795 387 H VAL 54 H VAL 54 -4.198 -3.389 -3.495 388 HA VAL 54 HA VAL 54 -5.641 -1.338 -4.888 389 HB VAL 54 HB VAL 54 -3.733 -1.021 -2.565 390 1HG1 VAL 54 1HG1 VAL 54 -4.252 1.066 -3.709 391 2HG1 VAL 54 2HG1 VAL 54 -5.007 1.022 -2.116 392 3HG1 VAL 54 3HG1 VAL 54 -5.978 0.733 -3.561 393 1HG2 VAL 54 1HG2 VAL 54 -5.712 -1.137 -1.129 394 2HG2 VAL 54 2HG2 VAL 54 -5.473 -2.640 -2.021 395 3HG2 VAL 54 3HG2 VAL 54 -6.713 -1.496 -2.537 396 H MET 55 H MET 55 -2.268 -2.247 -4.468 397 HA MET 55 HA MET 55 -1.158 0.071 -5.670 398 1HB MET 55 1HB MET 55 -0.039 -2.707 -5.276 399 2HB MET 55 2HB MET 55 0.896 -1.360 -5.907 400 1HG MET 55 1HG MET 55 0.386 -0.124 -3.800 401 2HG MET 55 2HG MET 55 -0.339 -1.605 -3.178 402 1HE MET 55 1HE MET 55 1.026 -3.869 -2.812 403 2HE MET 55 2HE MET 55 2.752 -4.032 -3.134 404 3HE MET 55 3HE MET 55 1.623 -3.809 -4.470 405 H LYS 56 H LYS 56 -2.104 -3.100 -6.916 406 HA LYS 56 HA LYS 56 -1.128 -2.624 -9.556 407 1HB LYS 56 1HB LYS 56 -3.195 -4.619 -8.611 408 2HB LYS 56 2HB LYS 56 -2.367 -4.648 -10.162 409 1HG LYS 56 1HG LYS 56 -0.240 -5.003 -9.022 410 2HG LYS 56 2HG LYS 56 -1.064 -4.962 -7.466 411 1HD LYS 56 1HD LYS 56 -1.687 -6.931 -9.657 412 2HD LYS 56 2HD LYS 56 -0.561 -7.250 -8.336 413 1HE LYS 56 1HE LYS 56 -2.434 -8.131 -7.426 414 2HE LYS 56 2HE LYS 56 -2.631 -6.468 -6.884 415 1HZ LYS 56 1HZ LYS 56 -4.675 -7.348 -7.831 416 2HZ LYS 56 2HZ LYS 56 -3.892 -7.651 -9.299 417 3HZ LYS 56 3HZ LYS 56 -4.091 -6.060 -8.760 418 H ARG 57 H ARG 57 -3.947 -1.705 -7.841 419 HA ARG 57 HA ARG 57 -5.559 -1.304 -10.214 420 1HB ARG 57 1HB ARG 57 -6.285 -1.902 -7.726 421 2HB ARG 57 2HB ARG 57 -6.331 -0.151 -7.577 422 1HG ARG 57 1HG ARG 57 -8.505 -0.701 -8.151 423 2HG ARG 57 2HG ARG 57 -7.794 -0.220 -9.691 424 1HD ARG 57 1HD ARG 57 -8.014 -3.072 -8.735 425 2HD ARG 57 2HD ARG 57 -9.179 -2.292 -9.804 426 HE ARG 57 HE ARG 57 -6.879 -1.921 -11.128 427 1HH1 ARG 57 1HH1 ARG 57 -8.275 -4.754 -9.651 428 2HH1 ARG 57 2HH1 ARG 57 -7.542 -5.854 -10.770 429 1HH2 ARG 57 1HH2 ARG 57 -5.914 -3.364 -12.604 430 2HH2 ARG 57 2HH2 ARG 57 -6.200 -5.064 -12.446 431 H ILE 58 H ILE 58 -3.461 0.531 -8.142 432 HA ILE 58 HA ILE 58 -4.322 3.068 -9.316 433 HB ILE 58 HB ILE 58 -2.814 4.134 -7.721 434 1HG1 ILE 58 1HG1 ILE 58 -2.179 1.340 -6.749 435 2HG1 ILE 58 2HG1 ILE 58 -1.098 2.321 -7.731 436 1HG2 ILE 58 1HG2 ILE 58 -5.102 3.574 -7.035 437 2HG2 ILE 58 2HG2 ILE 58 -3.982 3.538 -5.675 438 3HG2 ILE 58 3HG2 ILE 58 -4.529 2.030 -6.407 439 1HD1 ILE 58 1HD1 ILE 58 -2.081 3.013 -4.973 440 2HD1 ILE 58 2HD1 ILE 58 -0.976 3.978 -5.953 441 3HD1 ILE 58 3HD1 ILE 58 -0.484 2.384 -5.381 442 H GLU 59 H GLU 59 -2.732 0.809 -10.630 443 HA GLU 59 HA GLU 59 -1.058 0.562 -12.143 444 1HB GLU 59 1HB GLU 59 -1.326 3.568 -12.274 445 2HB GLU 59 2HB GLU 59 -0.399 2.603 -13.413 446 1HG GLU 59 1HG GLU 59 -2.489 1.380 -13.978 447 2HG GLU 59 2HG GLU 59 -3.369 2.512 -12.954 448 H MET 60 H MET 60 -0.305 0.751 -9.381 449 HA MET 60 HA MET 60 2.323 2.057 -9.524 450 1HB MET 60 1HB MET 60 0.775 2.612 -7.618 451 2HB MET 60 2HB MET 60 0.935 0.947 -7.079 452 1HG MET 60 1HG MET 60 3.325 1.265 -6.765 453 2HG MET 60 2HG MET 60 3.190 2.924 -7.344 454 1HE MET 60 1HE MET 60 4.475 3.673 -5.100 455 2HE MET 60 2HE MET 60 4.511 2.000 -4.541 456 3HE MET 60 3HE MET 60 3.906 3.271 -3.478 457 H LEU 61 H LEU 61 1.037 -0.821 -10.214 458 HA LEU 61 HA LEU 61 3.538 -2.208 -9.855 459 1HB LEU 61 1HB LEU 61 2.376 -2.657 -7.731 460 2HB LEU 61 2HB LEU 61 0.996 -3.281 -8.610 461 HG LEU 61 HG LEU 61 2.360 -5.132 -9.465 462 1HD1 LEU 61 1HD1 LEU 61 4.553 -3.932 -7.779 463 2HD1 LEU 61 2HD1 LEU 61 4.522 -4.034 -9.539 464 3HD1 LEU 61 3HD1 LEU 61 4.613 -5.506 -8.571 465 1HD2 LEU 61 1HD2 LEU 61 2.678 -6.314 -7.336 466 2HD2 LEU 61 2HD2 LEU 61 1.143 -5.450 -7.388 467 3HD2 LEU 61 3HD2 LEU 61 2.495 -4.788 -6.472 468 H LYS 62 H LYS 62 3.751 -2.492 -11.995 469 HA LYS 62 HA LYS 62 1.539 -3.706 -13.496 470 1HB LYS 62 1HB LYS 62 4.009 -2.217 -14.394 471 2HB LYS 62 2HB LYS 62 2.882 -2.995 -15.500 472 1HG LYS 62 1HG LYS 62 1.768 -1.064 -13.547 473 2HG LYS 62 2HG LYS 62 2.729 -0.421 -14.879 474 1HD LYS 62 1HD LYS 62 0.506 -0.408 -15.654 475 2HD LYS 62 2HD LYS 62 1.252 -1.814 -16.413 476 1HE LYS 62 1HE LYS 62 0.253 -3.265 -14.727 477 2HE LYS 62 2HE LYS 62 -0.463 -1.865 -13.931 478 1HZ LYS 62 1HZ LYS 62 -2.069 -2.989 -15.332 479 2HZ LYS 62 2HZ LYS 62 -1.073 -2.794 -16.685 480 3HZ LYS 62 3HZ LYS 62 -1.753 -1.439 -15.934 481 H GLY 63 H GLY 63 1.694 -5.884 -13.357 482 1HA GLY 63 1HA GLY 63 2.604 -7.999 -13.440 483 2HA GLY 63 2HA GLY 63 3.513 -7.350 -14.797 484 H THR 64 H THR 64 3.615 -6.760 -11.305 485 HA THR 64 HA THR 64 5.216 -7.050 -9.730 486 HB THR 64 HB THR 64 6.978 -8.594 -9.939 487 HG1 THR 64 1HG THR 64 7.682 -7.661 -12.054 488 1HG2 THR 64 1HG2 THR 64 4.819 -9.584 -11.801 489 2HG2 THR 64 2HG2 THR 64 4.738 -9.617 -10.040 490 3HG2 THR 64 3HG2 THR 64 5.952 -10.577 -10.885 491 H GLU 65 H GLU 65 5.090 -4.751 -11.437 492 HA GLU 65 HA GLU 65 7.895 -3.876 -11.276 493 1HB GLU 65 1HB GLU 65 5.788 -3.108 -13.280 494 2HB GLU 65 2HB GLU 65 7.346 -2.328 -13.137 495 1HG GLU 65 1HG GLU 65 8.472 -4.420 -13.679 496 2HG GLU 65 2HG GLU 65 6.908 -5.224 -13.811 497 H LEU 66 H LEU 66 7.950 -2.666 -9.466 498 HA LEU 66 HA LEU 66 5.804 -1.097 -8.507 499 1HB LEU 66 1HB LEU 66 8.757 -1.050 -7.899 500 2HB LEU 66 2HB LEU 66 7.577 -0.080 -7.042 501 HG LEU 66 HG LEU 66 8.066 -1.962 -5.701 502 1HD1 LEU 66 1HD1 LEU 66 5.430 -2.434 -7.067 503 2HD1 LEU 66 2HD1 LEU 66 5.725 -1.322 -5.732 504 3HD1 LEU 66 3HD1 LEU 66 5.899 -3.059 -5.487 505 1HD2 LEU 66 1HD2 LEU 66 8.956 -3.351 -7.599 506 2HD2 LEU 66 2HD2 LEU 66 7.285 -3.839 -7.897 507 3HD2 LEU 66 3HD2 LEU 66 8.052 -4.208 -6.354 508 H TYR 67 H TYR 67 5.512 1.155 -8.548 509 HA TYR 67 HA TYR 67 7.154 2.614 -10.507 510 1HB TYR 67 1HB TYR 67 4.180 2.388 -10.327 511 2HB TYR 67 2HB TYR 67 4.882 3.897 -10.898 512 HD1 TYR 67 1HD TYR 67 4.676 0.262 -11.568 513 HD2 TYR 67 2HD TYR 67 5.747 4.085 -13.092 514 HE1 TYR 67 1HE TYR 67 4.919 -0.708 -13.814 515 HE2 TYR 67 2HE TYR 67 5.993 3.127 -15.345 516 HH TYR 67 HH TYR 67 4.878 0.011 -16.147 517 H VAL 68 H VAL 68 6.797 5.047 -10.315 518 HA VAL 68 HA VAL 68 6.570 5.804 -7.473 519 HB VAL 68 HB VAL 68 8.515 6.980 -9.464 520 1HG1 VAL 68 1HG1 VAL 68 9.501 8.051 -7.483 521 2HG1 VAL 68 2HG1 VAL 68 8.201 7.388 -6.492 522 3HG1 VAL 68 3HG1 VAL 68 7.836 8.561 -7.757 523 1HG2 VAL 68 1HG2 VAL 68 10.252 5.839 -8.112 524 2HG2 VAL 68 2HG2 VAL 68 9.187 4.723 -8.968 525 3HG2 VAL 68 3HG2 VAL 68 8.970 4.999 -7.241 526 H GLU 69 H GLU 69 5.900 6.552 -10.787 527 HA GLU 69 HA GLU 69 5.174 9.250 -10.541 528 1HB GLU 69 1HB GLU 69 4.150 7.168 -12.477 529 2HB GLU 69 2HB GLU 69 3.937 8.905 -12.650 530 1HG GLU 69 1HG GLU 69 6.353 9.197 -12.802 531 2HG GLU 69 2HG GLU 69 6.577 7.459 -12.606 532 HA PRO 70 HA PRO 70 0.606 7.656 -9.939 533 1HB PRO 70 1HB PRO 70 0.367 5.219 -8.727 534 2HB PRO 70 2HB PRO 70 0.316 5.457 -10.478 535 1HG PRO 70 1HG PRO 70 2.600 4.585 -8.749 536 2HG PRO 70 2HG PRO 70 2.081 3.955 -10.325 537 1HD PRO 70 1HD PRO 70 4.160 5.638 -10.087 538 2HD PRO 70 2HD PRO 70 3.073 5.689 -11.488 539 H VAL 71 H VAL 71 2.950 6.393 -7.556 540 HA VAL 71 HA VAL 71 1.329 6.938 -5.308 541 HB VAL 71 HB VAL 71 3.386 5.415 -5.465 542 1HG1 VAL 71 1HG1 VAL 71 5.007 7.028 -6.232 543 2HG1 VAL 71 2HG1 VAL 71 5.484 6.372 -4.667 544 3HG1 VAL 71 3HG1 VAL 71 4.775 7.982 -4.767 545 1HG2 VAL 71 1HG2 VAL 71 2.081 5.723 -3.440 546 2HG2 VAL 71 2HG2 VAL 71 2.992 7.184 -3.064 547 3HG2 VAL 71 3HG2 VAL 71 3.800 5.617 -3.060 548 H TYR 72 H TYR 72 3.967 8.788 -6.788 549 HA TYR 72 HA TYR 72 3.968 10.917 -4.964 550 1HB TYR 72 1HB TYR 72 4.791 10.663 -7.832 551 2HB TYR 72 2HB TYR 72 4.763 12.250 -7.084 552 HD1 TYR 72 1HD TYR 72 7.202 12.456 -7.477 553 HD2 TYR 72 2HD TYR 72 5.601 9.361 -5.042 554 HE1 TYR 72 1HE TYR 72 9.438 12.049 -6.541 555 HE2 TYR 72 2HE TYR 72 7.832 8.941 -4.099 556 HH TYR 72 HH TYR 72 10.191 9.291 -4.720 557 H LYS 73 H LYS 73 1.723 10.033 -7.400 558 HA LYS 73 HA LYS 73 0.524 12.652 -7.639 559 1HB LYS 73 1HB LYS 73 0.547 11.247 -9.596 560 2HB LYS 73 2HB LYS 73 -0.262 9.950 -8.730 561 1HG LYS 73 1HG LYS 73 -1.841 11.030 -10.163 562 2HG LYS 73 2HG LYS 73 -2.249 11.406 -8.489 563 1HD LYS 73 1HD LYS 73 -0.980 13.558 -8.776 564 2HD LYS 73 2HD LYS 73 -0.881 13.187 -10.496 565 1HE LYS 73 1HE LYS 73 -3.401 13.554 -8.881 566 2HE LYS 73 2HE LYS 73 -2.741 14.683 -10.063 567 1HZ LYS 73 1HZ LYS 73 -4.528 13.379 -11.009 568 2HZ LYS 73 2HZ LYS 73 -3.720 11.939 -10.643 569 3HZ LYS 73 3HZ LYS 73 -3.069 13.008 -11.781 570 H MET 74 H MET 74 -0.380 9.520 -6.181 571 HA MET 74 HA MET 74 -2.907 10.457 -5.279 572 1HB MET 74 1HB MET 74 -2.921 8.378 -3.892 573 2HB MET 74 2HB MET 74 -2.666 8.108 -5.610 574 1HG MET 74 1HG MET 74 -0.614 7.271 -5.309 575 2HG MET 74 2HG MET 74 -0.219 8.403 -4.020 576 1HE MET 74 1HE MET 74 -2.383 5.233 -4.891 577 2HE MET 74 2HE MET 74 -3.486 6.240 -3.952 578 3HE MET 74 3HE MET 74 -2.897 4.719 -3.284 579 H ILE 75 H ILE 75 0.259 10.089 -3.721 580 HA ILE 75 HA ILE 75 -0.396 10.587 -1.100 581 HB ILE 75 HB ILE 75 2.020 11.577 -2.621 582 1HG1 ILE 75 1HG1 ILE 75 1.770 9.226 -0.742 583 2HG1 ILE 75 2HG1 ILE 75 1.582 9.086 -2.486 584 1HG2 ILE 75 1HG2 ILE 75 1.726 12.894 -0.595 585 2HG2 ILE 75 2HG2 ILE 75 3.105 11.806 -0.431 586 3HG2 ILE 75 3HG2 ILE 75 1.578 11.418 0.360 587 1HD1 ILE 75 1HD1 ILE 75 3.813 8.445 -1.766 588 2HD1 ILE 75 2HD1 ILE 75 4.049 10.043 -1.057 589 3HD1 ILE 75 3HD1 ILE 75 3.861 9.873 -2.801 590 H GLU 76 H GLU 76 -0.394 12.794 -3.788 591 HA GLU 76 HA GLU 76 -0.305 15.229 -2.436 592 1HB GLU 76 1HB GLU 76 -1.833 14.596 -4.959 593 2HB GLU 76 2HB GLU 76 -1.337 16.196 -4.418 594 1HG GLU 76 1HG GLU 76 1.025 15.412 -4.532 595 2HG GLU 76 2HG GLU 76 0.434 13.929 -5.266 596 H VAL 77 H VAL 77 -3.246 13.534 -3.597 597 HA VAL 77 HA VAL 77 -4.921 15.231 -1.943 598 HB VAL 77 HB VAL 77 -5.705 12.863 -3.653 599 1HG1 VAL 77 1HG1 VAL 77 -7.365 15.067 -2.431 600 2HG1 VAL 77 2HG1 VAL 77 -7.365 13.369 -1.954 601 3HG1 VAL 77 3HG1 VAL 77 -7.960 13.838 -3.547 602 1HG2 VAL 77 1HG2 VAL 77 -6.399 14.538 -5.309 603 2HG2 VAL 77 2HG2 VAL 77 -4.664 14.603 -4.998 604 3HG2 VAL 77 3HG2 VAL 77 -5.732 15.813 -4.288 605 H VAL 78 H VAL 78 -3.888 11.883 -2.066 606 HA VAL 78 HA VAL 78 -5.454 10.805 -0.042 607 HB VAL 78 HB VAL 78 -2.685 10.064 -1.005 608 1HG1 VAL 78 1HG1 VAL 78 -4.486 8.540 0.882 609 2HG1 VAL 78 2HG1 VAL 78 -2.894 9.205 1.247 610 3HG1 VAL 78 3HG1 VAL 78 -3.051 7.879 0.098 611 1HG2 VAL 78 1HG2 VAL 78 -5.398 8.854 -1.517 612 2HG2 VAL 78 2HG2 VAL 78 -3.865 8.270 -2.163 613 3HG2 VAL 78 3HG2 VAL 78 -4.478 9.853 -2.641 614 H HIS 79 H HIS 79 -3.149 13.221 0.229 615 HA HIS 79 HA HIS 79 -3.129 12.958 3.132 616 1HB HIS 79 1HB HIS 79 -0.642 13.228 1.441 617 2HB HIS 79 2HB HIS 79 -0.678 13.572 3.164 618 HD1 HIS 79 1HD HIS 79 -1.020 11.530 4.768 619 HD2 HIS 79 2HD HIS 79 -0.567 10.542 0.759 620 HE1 HIS 79 1HE HIS 79 -0.567 9.058 4.733 621 HE2 HIS 79 2HE HIS 79 -0.367 8.468 2.291 622 H ALA 80 H ALA 80 -4.764 14.670 2.090 623 HA ALA 80 HA ALA 80 -3.590 17.220 1.473 624 1HB ALA 80 1HB ALA 80 -5.734 16.512 0.507 625 2HB ALA 80 2HB ALA 80 -5.873 18.034 1.386 626 3HB ALA 80 3HB ALA 80 -6.456 16.538 2.115 627 H GLY 81 H GLY 81 -3.300 18.956 2.770 628 1HA GLY 81 1HA GLY 81 -4.369 19.913 4.963 629 2HA GLY 81 2HA GLY 81 -3.585 18.499 5.649 630 H ASN 82 H ASN 82 -1.187 18.376 4.503 631 HA ASN 82 HA ASN 82 0.040 21.020 4.921 632 1HB ASN 82 1HB ASN 82 0.970 18.355 6.000 633 2HB ASN 82 2HB ASN 82 1.970 19.804 5.993 634 1HD2 ASN 82 1HD2 ASN 82 1.507 21.471 7.399 635 2HD2 ASN 82 2HD2 ASN 82 0.411 21.297 8.723 636 H ALA 83 H ALA 83 2.065 21.348 3.845 637 HA ALA 83 HA ALA 83 2.135 20.083 1.253 638 1HB ALA 83 1HB ALA 83 2.480 22.501 1.495 639 2HB ALA 83 2HB ALA 83 3.858 21.715 0.722 640 3HB ALA 83 3HB ALA 83 3.952 22.192 2.416 641 H ASP 84 H ASP 84 3.949 19.907 4.235 642 HA ASP 84 HA ASP 84 6.120 18.435 3.019 643 1HB ASP 84 1HB ASP 84 7.022 18.246 5.267 644 2HB ASP 84 2HB ASP 84 6.572 19.915 4.923 645 H ASP 85 H ASP 85 3.160 17.758 4.730 646 HA ASP 85 HA ASP 85 3.615 15.125 5.514 647 1HB ASP 85 1HB ASP 85 1.140 16.616 4.683 648 2HB ASP 85 2HB ASP 85 1.058 14.891 5.034 649 H ILE 86 H ILE 86 3.037 16.528 2.405 650 HA ILE 86 HA ILE 86 2.631 14.012 1.056 651 HB ILE 86 HB ILE 86 3.088 16.807 -0.018 652 1HG1 ILE 86 1HG1 ILE 86 0.546 15.173 0.163 653 2HG1 ILE 86 2HG1 ILE 86 0.985 16.470 1.270 654 1HG2 ILE 86 1HG2 ILE 86 2.335 15.933 -2.170 655 2HG2 ILE 86 2HG2 ILE 86 2.223 14.314 -1.483 656 3HG2 ILE 86 3HG2 ILE 86 3.793 15.103 -1.626 657 1HD1 ILE 86 1HD1 ILE 86 -0.617 17.199 -0.424 658 2HD1 ILE 86 2HD1 ILE 86 0.542 16.788 -1.689 659 3HD1 ILE 86 3HD1 ILE 86 0.910 18.075 -0.541 660 H GLN 87 H GLN 87 5.197 16.215 1.832 661 HA GLN 87 HA GLN 87 7.121 15.121 0.020 662 1HB GLN 87 1HB GLN 87 7.999 17.130 0.487 663 2HB GLN 87 2HB GLN 87 6.958 17.321 1.886 664 1HG GLN 87 1HG GLN 87 8.510 16.199 3.285 665 2HG GLN 87 2HG GLN 87 9.521 15.758 1.911 666 1HE2 GLN 87 1HE2 GLN 87 7.990 18.876 2.252 667 2HE2 GLN 87 2HE2 GLN 87 9.440 19.779 2.517 668 H LEU 88 H LEU 88 5.940 14.344 3.142 669 HA LEU 88 HA LEU 88 8.235 12.892 4.047 670 1HB LEU 88 1HB LEU 88 6.682 13.853 5.646 671 2HB LEU 88 2HB LEU 88 5.367 12.905 4.985 672 HG LEU 88 HG LEU 88 6.506 10.842 5.750 673 1HD1 LEU 88 1HD1 LEU 88 8.421 12.769 7.054 674 2HD1 LEU 88 2HD1 LEU 88 8.799 11.645 5.749 675 3HD1 LEU 88 3HD1 LEU 88 8.358 11.031 7.342 676 1HD2 LEU 88 1HD2 LEU 88 6.031 11.151 8.128 677 2HD2 LEU 88 2HD2 LEU 88 4.782 11.881 7.119 678 3HD2 LEU 88 3HD2 LEU 88 5.996 12.899 7.895 679 H VAL 89 H VAL 89 4.958 11.846 3.106 680 HA VAL 89 HA VAL 89 5.448 9.113 3.014 681 HB VAL 89 HB VAL 89 3.564 10.614 1.195 682 1HG1 VAL 89 1HG1 VAL 89 3.819 8.310 0.545 683 2HG1 VAL 89 2HG1 VAL 89 2.245 8.520 1.316 684 3HG1 VAL 89 3HG1 VAL 89 3.573 7.775 2.207 685 1HG2 VAL 89 1HG2 VAL 89 1.876 10.228 2.970 686 2HG2 VAL 89 2HG2 VAL 89 3.164 11.328 3.458 687 3HG2 VAL 89 3HG2 VAL 89 3.170 9.661 4.027 688 H LYS 90 H LYS 90 6.010 11.600 0.603 689 HA LYS 90 HA LYS 90 6.485 10.064 -1.653 690 1HB LYS 90 1HB LYS 90 6.909 12.749 -0.822 691 2HB LYS 90 2HB LYS 90 8.392 12.188 -1.578 692 1HG LYS 90 1HG LYS 90 7.497 12.524 -3.573 693 2HG LYS 90 2HG LYS 90 6.230 11.359 -3.205 694 1HD LYS 90 1HD LYS 90 4.856 13.079 -2.241 695 2HD LYS 90 2HD LYS 90 6.146 14.261 -2.446 696 1HE LYS 90 1HE LYS 90 4.885 12.761 -4.727 697 2HE LYS 90 2HE LYS 90 4.326 14.336 -4.175 698 1HZ LYS 90 1HZ LYS 90 7.062 13.741 -5.160 699 2HZ LYS 90 2HZ LYS 90 6.492 15.257 -4.674 700 3HZ LYS 90 3HZ LYS 90 5.850 14.515 -6.050 701 H GLY 91 H GLY 91 8.539 10.704 1.114 702 1HA GLY 91 1HA GLY 91 10.839 9.409 -0.102 703 2HA GLY 91 2HA GLY 91 10.765 10.111 1.506 704 H ILE 92 H ILE 92 8.281 8.619 2.139 705 HA ILE 92 HA ILE 92 9.476 6.348 3.319 706 HB ILE 92 HB ILE 92 6.524 6.788 2.866 707 1HG1 ILE 92 1HG1 ILE 92 7.375 8.756 3.952 708 2HG1 ILE 92 2HG1 ILE 92 6.552 7.782 5.163 709 1HG2 ILE 92 1HG2 ILE 92 8.032 5.155 4.901 710 2HG2 ILE 92 2HG2 ILE 92 7.057 4.540 3.567 711 3HG2 ILE 92 3HG2 ILE 92 6.288 5.409 4.895 712 1HD1 ILE 92 1HD1 ILE 92 9.526 7.989 4.758 713 2HD1 ILE 92 2HD1 ILE 92 8.731 6.942 5.931 714 3HD1 ILE 92 3HD1 ILE 92 8.585 8.694 6.073 715 H ALA 93 H ALA 93 7.604 6.824 0.382 716 HA ALA 93 HA ALA 93 7.185 4.077 -0.199 717 1HB ALA 93 1HB ALA 93 6.608 4.849 -2.452 718 2HB ALA 93 2HB ALA 93 7.239 6.450 -2.063 719 3HB ALA 93 3HB ALA 93 5.826 5.826 -1.209 720 H ASN 94 H ASN 94 9.936 6.082 -0.410 721 HA ASN 94 HA ASN 94 11.252 4.736 -2.560 722 1HB ASN 94 1HB ASN 94 11.800 7.054 -1.934 723 2HB ASN 94 2HB ASN 94 12.406 6.489 -0.381 724 1HD2 ASN 94 1HD2 ASN 94 12.975 6.630 -3.802 725 2HD2 ASN 94 2HD2 ASN 94 14.635 6.155 -3.750 726 H GLU 95 H GLU 95 11.351 4.489 0.969 727 HA GLU 95 HA GLU 95 13.515 2.703 1.138 728 1HB GLU 95 1HB GLU 95 12.486 4.017 3.036 729 2HB GLU 95 2HB GLU 95 11.193 2.822 3.072 730 1HG GLU 95 1HG GLU 95 12.895 2.377 4.758 731 2HG GLU 95 2HG GLU 95 12.785 1.072 3.579 732 H CYS 96 H CYS 96 10.312 2.220 0.059 733 HA CYS 96 HA CYS 96 10.283 -0.620 0.642 734 1HB CYS 96 1HB CYS 96 8.352 1.244 -0.723 735 2HB CYS 96 2HB CYS 96 8.123 -0.501 -0.736 736 H ILE 97 H ILE 97 10.225 1.373 -2.323 737 HA ILE 97 HA ILE 97 10.369 -0.638 -4.208 738 HB ILE 97 HB ILE 97 11.830 1.998 -4.400 739 1HG1 ILE 97 1HG1 ILE 97 8.980 1.385 -5.201 740 2HG1 ILE 97 2HG1 ILE 97 9.421 2.194 -3.701 741 1HG2 ILE 97 1HG2 ILE 97 12.400 0.405 -6.155 742 2HG2 ILE 97 2HG2 ILE 97 11.455 1.745 -6.805 743 3HG2 ILE 97 3HG2 ILE 97 10.689 0.183 -6.521 744 1HD1 ILE 97 1HD1 ILE 97 10.467 3.991 -5.016 745 2HD1 ILE 97 2HD1 ILE 97 8.743 3.812 -5.343 746 3HD1 ILE 97 3HD1 ILE 97 9.928 3.191 -6.493 747 H GLU 98 H GLU 98 12.900 0.613 -2.143 748 HA GLU 98 HA GLU 98 15.109 -0.469 -3.539 749 1HB GLU 98 1HB GLU 98 14.780 0.235 -0.618 750 2HB GLU 98 2HB GLU 98 16.313 -0.185 -1.370 751 1HG GLU 98 1HG GLU 98 16.139 1.747 -2.836 752 2HG GLU 98 2HG GLU 98 14.582 2.160 -2.121 753 H ASN 99 H ASN 99 13.317 -1.636 -0.695 754 HA ASN 99 HA ASN 99 14.698 -4.172 -0.739 755 1HB ASN 99 1HB ASN 99 13.737 -4.569 1.316 756 2HB ASN 99 2HB ASN 99 13.677 -2.809 1.292 757 1HD2 ASN 99 1HD2 ASN 99 11.699 -1.783 0.813 758 2HD2 ASN 99 2HD2 ASN 99 10.196 -2.593 1.076 759 H ALA 100 H ALA 100 12.221 -2.860 -2.487 760 HA ALA 100 HA ALA 100 11.070 -5.510 -3.071 761 1HB ALA 100 1HB ALA 100 9.440 -4.086 -1.920 762 2HB ALA 100 2HB ALA 100 8.947 -4.423 -3.581 763 3HB ALA 100 3HB ALA 100 9.639 -2.854 -3.167 764 H LYS 101 H LYS 101 13.347 -4.478 -4.310 765 HA LYS 101 HA LYS 101 13.216 -3.032 -6.576 766 1HB LYS 101 1HB LYS 101 15.055 -4.303 -7.457 767 2HB LYS 101 2HB LYS 101 15.249 -4.144 -5.714 768 1HG LYS 101 1HG LYS 101 13.886 -6.519 -6.840 769 2HG LYS 101 2HG LYS 101 15.648 -6.434 -6.868 770 1HD LYS 101 1HD LYS 101 15.802 -6.796 -4.653 771 2HD LYS 101 2HD LYS 101 14.452 -5.721 -4.290 772 1HE LYS 101 1HE LYS 101 13.804 -7.909 -3.618 773 2HE LYS 101 2HE LYS 101 12.917 -7.532 -5.094 774 1HZ LYS 101 1HZ LYS 101 15.370 -9.199 -4.921 775 2HZ LYS 101 2HZ LYS 101 14.550 -8.812 -6.349 776 3HZ LYS 101 3HZ LYS 101 13.796 -9.767 -5.176 777 H GLY 102 H GLY 102 11.931 -6.284 -6.186 778 1HA GLY 102 1HA GLY 102 9.897 -6.255 -7.894 779 2HA GLY 102 2HA GLY 102 11.238 -6.404 -9.018 780 H GLU 103 H GLU 103 9.821 -7.939 -6.141 781 HA GLU 103 HA GLU 103 11.156 -10.398 -6.373 782 1HB GLU 103 1HB GLU 103 8.527 -9.623 -5.119 783 2HB GLU 103 2HB GLU 103 9.140 -11.269 -5.058 784 1HG GLU 103 1HG GLU 103 10.724 -8.919 -4.074 785 2HG GLU 103 2HG GLU 103 9.594 -9.807 -3.050 786 H THR 104 H THR 104 10.469 -12.402 -7.209 787 HA THR 104 HA THR 104 9.149 -12.232 -9.727 788 HB THR 104 HB THR 104 9.973 -14.719 -8.224 789 HG1 THR 104 1HG THR 104 11.667 -13.064 -8.625 790 1HG2 THR 104 1HG2 THR 104 10.153 -15.678 -10.484 791 2HG2 THR 104 2HG2 THR 104 9.535 -14.170 -11.157 792 3HG2 THR 104 3HG2 THR 104 8.511 -15.154 -10.112 793 H ASP 105 H ASP 105 8.158 -13.040 -6.506 794 HA ASP 105 HA ASP 105 5.666 -14.217 -7.499 795 1HB ASP 105 1HB ASP 105 6.808 -15.500 -5.774 796 2HB ASP 105 2HB ASP 105 6.807 -14.103 -4.703 797 H GLU 106 H GLU 106 3.658 -13.392 -7.006 798 HA GLU 106 HA GLU 106 3.359 -10.629 -6.916 799 1HB GLU 106 1HB GLU 106 1.632 -12.158 -7.757 800 2HB GLU 106 2HB GLU 106 1.352 -12.747 -6.124 801 1HG GLU 106 1HG GLU 106 0.568 -10.559 -5.439 802 2HG GLU 106 2HG GLU 106 0.917 -9.913 -7.042 803 H CYS 107 H CYS 107 2.211 -12.795 -4.319 804 HA CYS 107 HA CYS 107 1.862 -10.902 -2.371 805 1HB CYS 107 1HB CYS 107 2.512 -13.822 -2.249 806 2HB CYS 107 2HB CYS 107 2.417 -12.883 -0.763 807 H ASN 108 H ASN 108 4.863 -12.179 -3.541 808 HA ASN 108 HA ASN 108 6.437 -11.502 -1.271 809 1HB ASN 108 1HB ASN 108 7.078 -12.158 -4.129 810 2HB ASN 108 2HB ASN 108 8.335 -11.573 -3.042 811 1HD2 ASN 108 1HD2 ASN 108 9.459 -13.499 -3.102 812 2HD2 ASN 108 2HD2 ASN 108 8.896 -14.930 -2.313 813 H ILE 109 H ILE 109 6.174 -9.912 -4.477 814 HA ILE 109 HA ILE 109 7.626 -7.632 -3.895 815 HB ILE 109 HB ILE 109 5.610 -8.364 -5.893 816 1HG1 ILE 109 1HG1 ILE 109 8.112 -6.667 -5.932 817 2HG1 ILE 109 2HG1 ILE 109 7.993 -8.369 -6.354 818 1HG2 ILE 109 1HG2 ILE 109 5.928 -5.450 -5.179 819 2HG2 ILE 109 2HG2 ILE 109 4.451 -6.406 -5.054 820 3HG2 ILE 109 3HG2 ILE 109 5.147 -6.064 -6.637 821 1HD1 ILE 109 1HD1 ILE 109 6.548 -7.776 -8.247 822 2HD1 ILE 109 2HD1 ILE 109 8.147 -7.039 -8.344 823 3HD1 ILE 109 3HD1 ILE 109 6.759 -6.071 -7.845 824 H GLY 110 H GLY 110 4.221 -8.325 -3.284 825 1HA GLY 110 1HA GLY 110 3.548 -5.753 -2.308 826 2HA GLY 110 2HA GLY 110 2.636 -7.229 -2.041 827 H ASN 111 H ASN 111 4.773 -8.672 -0.726 828 HA ASN 111 HA ASN 111 4.336 -7.726 1.914 829 1HB ASN 111 1HB ASN 111 5.424 -10.088 0.723 830 2HB ASN 111 2HB ASN 111 6.534 -9.504 1.957 831 1HD2 ASN 111 1HD2 ASN 111 4.483 -8.254 3.518 832 2HD2 ASN 111 2HD2 ASN 111 3.644 -9.531 4.311 833 H LYS 112 H LYS 112 7.080 -7.577 -0.285 834 HA LYS 112 HA LYS 112 8.953 -6.493 1.501 835 1HB LYS 112 1HB LYS 112 8.703 -6.136 -1.494 836 2HB LYS 112 2HB LYS 112 10.122 -5.705 -0.551 837 1HG LYS 112 1HG LYS 112 9.003 -8.492 -0.695 838 2HG LYS 112 2HG LYS 112 10.273 -7.883 -1.757 839 1HD LYS 112 1HD LYS 112 11.694 -7.444 0.168 840 2HD LYS 112 2HD LYS 112 10.416 -7.989 1.257 841 1HE LYS 112 1HE LYS 112 10.523 -10.221 0.272 842 2HE LYS 112 2HE LYS 112 11.785 -9.680 -0.835 843 1HZ LYS 112 1HZ LYS 112 12.700 -10.857 1.070 844 2HZ LYS 112 2HZ LYS 112 12.003 -9.737 2.127 845 3HZ LYS 112 3HZ LYS 112 13.216 -9.247 1.056 846 H TYR 113 H TYR 113 6.276 -5.117 -0.204 847 HA TYR 113 HA TYR 113 7.123 -2.381 0.236 848 1HB TYR 113 1HB TYR 113 5.482 -3.636 -1.624 849 2HB TYR 113 2HB TYR 113 4.368 -2.713 -0.621 850 HD1 TYR 113 1HD TYR 113 4.477 -0.278 -0.556 851 HD2 TYR 113 2HD TYR 113 7.119 -2.524 -3.022 852 HE1 TYR 113 1HE TYR 113 5.056 1.768 -1.789 853 HE2 TYR 113 2HE TYR 113 7.708 -0.482 -4.259 854 HH TYR 113 HH TYR 113 6.742 1.725 -4.733 855 H THR 114 H THR 114 4.228 -4.272 1.142 856 HA THR 114 HA THR 114 3.016 -2.502 2.822 857 HB THR 114 HB THR 114 1.999 -4.638 2.240 858 HG1 THR 114 1HG THR 114 1.442 -3.442 4.246 859 1HG2 THR 114 1HG2 THR 114 3.890 -5.879 4.240 860 2HG2 THR 114 2HG2 THR 114 4.039 -6.029 2.489 861 3HG2 THR 114 3HG2 THR 114 2.635 -6.706 3.314 862 H ASP 115 H ASP 115 5.584 -4.783 3.694 863 HA ASP 115 HA ASP 115 5.743 -4.465 6.398 864 1HB ASP 115 1HB ASP 115 7.165 -6.038 5.301 865 2HB ASP 115 2HB ASP 115 7.960 -4.766 4.375 866 H CYS 116 H CYS 116 7.704 -2.547 4.115 867 HA CYS 116 HA CYS 116 8.730 -0.814 6.080 868 1HB CYS 116 1HB CYS 116 9.088 0.655 3.887 869 2HB CYS 116 2HB CYS 116 10.064 -0.769 4.239 870 H TYR 117 H TYR 117 6.095 -0.287 3.727 871 HA TYR 117 HA TYR 117 5.540 2.350 4.295 872 1HB TYR 117 1HB TYR 117 4.258 0.247 2.894 873 2HB TYR 117 2HB TYR 117 3.048 1.006 3.926 874 HD1 TYR 117 1HD TYR 117 2.622 3.461 3.715 875 HD2 TYR 117 2HD TYR 117 5.085 1.353 0.961 876 HE1 TYR 117 1HE TYR 117 2.410 5.316 2.115 877 HE2 TYR 117 2HE TYR 117 4.879 3.202 -0.647 878 HH TYR 117 HH TYR 117 3.336 5.053 -1.133 879 H ILE 118 H ILE 118 4.545 -0.503 6.112 880 HA ILE 118 HA ILE 118 2.840 0.997 7.888 881 HB ILE 118 HB ILE 118 3.920 -1.811 8.175 882 1HG1 ILE 118 1HG1 ILE 118 2.512 -1.460 6.152 883 2HG1 ILE 118 2HG1 ILE 118 1.784 -2.563 7.313 884 1HG2 ILE 118 1HG2 ILE 118 2.003 -2.086 9.747 885 2HG2 ILE 118 2HG2 ILE 118 1.749 -0.343 9.661 886 3HG2 ILE 118 3HG2 ILE 118 3.256 -0.984 10.317 887 1HD1 ILE 118 1HD1 ILE 118 1.063 0.341 6.988 888 2HD1 ILE 118 2HD1 ILE 118 0.294 -0.816 8.075 889 3HD1 ILE 118 3HD1 ILE 118 0.159 -1.022 6.328 890 H GLU 119 H GLU 119 6.174 0.002 7.801 891 HA GLU 119 HA GLU 119 6.717 0.295 10.569 892 1HB GLU 119 1HB GLU 119 8.129 -1.030 9.053 893 2HB GLU 119 2HB GLU 119 8.619 0.442 8.229 894 1HG GLU 119 1HG GLU 119 9.696 1.252 10.233 895 2HG GLU 119 2HG GLU 119 9.125 -0.151 11.134 896 H LYS 120 H LYS 120 7.430 2.457 7.801 897 HA LYS 120 HA LYS 120 8.279 4.538 9.618 898 1HB LYS 120 1HB LYS 120 8.033 4.505 6.612 899 2HB LYS 120 2HB LYS 120 8.681 5.846 7.543 900 1HG LYS 120 1HG LYS 120 10.571 4.722 6.821 901 2HG LYS 120 2HG LYS 120 10.353 4.126 8.468 902 1HD LYS 120 1HD LYS 120 9.328 2.102 7.643 903 2HD LYS 120 2HD LYS 120 9.380 2.710 5.988 904 1HE LYS 120 1HE LYS 120 11.809 2.717 6.050 905 2HE LYS 120 2HE LYS 120 11.786 2.169 7.722 906 1HZ LYS 120 1HZ LYS 120 10.683 0.132 6.979 907 2HZ LYS 120 2HZ LYS 120 12.192 0.327 6.242 908 3HZ LYS 120 3HZ LYS 120 10.780 0.659 5.373 909 H LEU 121 H LEU 121 5.737 4.324 7.104 910 HA LEU 121 HA LEU 121 4.503 6.717 8.237 911 1HB LEU 121 1HB LEU 121 4.901 6.551 5.798 912 2HB LEU 121 2HB LEU 121 3.788 5.197 5.739 913 HG LEU 121 HG LEU 121 1.977 6.682 6.529 914 1HD1 LEU 121 1HD1 LEU 121 3.332 8.342 7.688 915 2HD1 LEU 121 2HD1 LEU 121 2.314 9.104 6.467 916 3HD1 LEU 121 3HD1 LEU 121 4.031 8.856 6.154 917 1HD2 LEU 121 1HD2 LEU 121 3.393 7.573 4.024 918 2HD2 LEU 121 2HD2 LEU 121 1.702 7.883 4.416 919 3HD2 LEU 121 3HD2 LEU 121 2.259 6.230 4.158 920 H PHE 122 H PHE 122 4.117 3.358 8.510 921 HA PHE 122 HA PHE 122 2.541 2.085 9.540 922 1HB PHE 122 1HB PHE 122 2.138 3.354 11.381 923 2HB PHE 122 2HB PHE 122 1.853 4.814 10.445 924 HD1 PHE 122 1HD PHE 122 0.319 1.654 11.585 925 HD2 PHE 122 2HD PHE 122 -0.334 5.530 9.958 926 HE1 PHE 122 1HE PHE 122 -2.097 1.405 11.975 927 HE2 PHE 122 2HE PHE 122 -2.749 5.290 10.346 928 HZ PHE 122 HZ PHE 122 -3.645 3.221 11.299 929 H SER 123 H SER 123 1.755 4.271 7.056 930 HA SER 123 HA SER 123 -0.933 3.699 6.567 931 1HB SER 123 1HB SER 123 0.185 5.524 5.428 932 2HB SER 123 2HB SER 123 1.283 4.399 4.629 933 HG SER 123 HG SER 123 -0.425 5.005 3.253 934 1H4 TSD 124 1H4 TSP 124 0.655 1.986 1.017 935 2H4 TSD 124 2H4 TSP 124 -0.215 2.342 2.493 936 3H4 TSD 124 3H4 TSP 124 -1.019 2.488 0.947 937 1H5 TSD 124 1H5 TSP 124 0.966 -1.422 1.522 938 2H5 TSD 124 2H5 TSP 124 0.131 -1.490 3.057 939 3H5 TSD 124 3H5 TSP 124 1.269 -0.202 2.739 940 1H6 TSD 124 1H6 TSP 124 -0.858 -1.396 -0.200 941 2H6 TSD 124 2H6 TSP 124 -0.967 0.246 -0.787 942 3H6 TSD 124 3H6 TSP 124 -2.370 -0.527 -0.087 943 1D3 TSD 124 1D3 TSP 124 -2.564 -0.964 2.782 944 2D3 TSD 124 2D3 TSP 124 -1.952 0.389 3.712 945 1D2 TSD 124 1D2 TSP 124 -3.834 0.602 1.341 946 2D2 TSD 124 2D2 TSP 124 -3.230 1.956 2.296 Start of MODEL 5 1 HA ILE 1 HA ILE 1 1.133 13.708 10.267 2 HB ILE 1 HB ILE 1 0.568 12.058 8.403 3 1HG1 ILE 1 1HG1 ILE 1 2.428 10.251 8.247 4 2HG1 ILE 1 2HG1 ILE 1 2.562 10.460 9.989 5 1HG2 ILE 1 1HG2 ILE 1 2.212 13.842 8.174 6 2HG2 ILE 1 2HG2 ILE 1 2.728 12.393 7.311 7 3HG2 ILE 1 3HG2 ILE 1 3.453 12.799 8.866 8 1HD1 ILE 1 1HD1 ILE 1 0.249 9.813 10.272 9 2HD1 ILE 1 2HD1 ILE 1 1.130 8.576 9.376 10 3HD1 ILE 1 3HD1 ILE 1 0.052 9.682 8.525 11 H ASP 2 H ASP 2 -1.103 13.169 9.378 12 HA ASP 2 HA ASP 2 -2.687 12.149 11.573 13 1HB ASP 2 1HB ASP 2 -3.564 13.285 8.908 14 2HB ASP 2 2HB ASP 2 -4.607 12.971 10.292 15 H GLN 3 H GLN 3 -3.604 10.207 11.702 16 HA GLN 3 HA GLN 3 -3.103 8.257 9.648 17 1HB GLN 3 1HB GLN 3 -4.649 8.031 12.237 18 2HB GLN 3 2HB GLN 3 -4.223 6.683 11.193 19 1HG GLN 3 1HG GLN 3 -2.655 6.664 12.932 20 2HG GLN 3 2HG GLN 3 -1.812 7.337 11.538 21 1HE2 GLN 3 1HE2 GLN 3 -0.294 8.382 12.800 22 2HE2 GLN 3 2HE2 GLN 3 -0.672 9.780 13.744 23 H ASP 4 H ASP 4 -5.603 10.434 10.384 24 HA ASP 4 HA ASP 4 -7.795 8.942 9.328 25 1HB ASP 4 1HB ASP 4 -7.512 11.933 9.693 26 2HB ASP 4 2HB ASP 4 -9.016 11.067 9.402 27 H THR 5 H THR 5 -5.302 10.916 7.964 28 HA THR 5 HA THR 5 -6.659 11.356 5.441 29 HB THR 5 HB THR 5 -4.583 12.390 4.706 30 HG1 THR 5 1HG THR 5 -2.954 11.237 5.588 31 1HG2 THR 5 1HG2 THR 5 -5.247 13.188 7.543 32 2HG2 THR 5 2HG2 THR 5 -6.091 13.736 6.095 33 3HG2 THR 5 3HG2 THR 5 -4.406 14.185 6.357 34 H VAL 6 H VAL 6 -4.702 9.002 6.931 35 HA VAL 6 HA VAL 6 -3.687 7.841 4.499 36 HB VAL 6 HB VAL 6 -3.665 6.824 7.344 37 1HG1 VAL 6 1HG1 VAL 6 -2.134 5.847 4.943 38 2HG1 VAL 6 2HG1 VAL 6 -3.476 5.010 5.721 39 3HG1 VAL 6 3HG1 VAL 6 -1.967 5.256 6.596 40 1HG2 VAL 6 1HG2 VAL 6 -1.355 7.561 7.389 41 2HG2 VAL 6 2HG2 VAL 6 -2.418 8.916 7.005 42 3HG2 VAL 6 3HG2 VAL 6 -1.485 8.137 5.726 43 H VAL 7 H VAL 7 -5.746 6.536 7.102 44 HA VAL 7 HA VAL 7 -6.606 4.302 5.620 45 HB VAL 7 HB VAL 7 -8.008 5.548 7.981 46 1HG1 VAL 7 1HG1 VAL 7 -7.992 2.732 6.899 47 2HG1 VAL 7 2HG1 VAL 7 -9.340 3.867 6.853 48 3HG1 VAL 7 3HG1 VAL 7 -8.768 3.243 8.399 49 1HG2 VAL 7 1HG2 VAL 7 -5.728 3.574 7.902 50 2HG2 VAL 7 2HG2 VAL 7 -6.661 3.980 9.343 51 3HG2 VAL 7 3HG2 VAL 7 -5.687 5.215 8.548 52 H ALA 8 H ALA 8 -8.372 7.313 6.433 53 HA ALA 8 HA ALA 8 -10.745 6.595 5.116 54 1HB ALA 8 1HB ALA 8 -9.733 9.394 5.578 55 2HB ALA 8 2HB ALA 8 -10.538 8.402 6.795 56 3HB ALA 8 3HB ALA 8 -11.405 8.887 5.339 57 H LYS 9 H LYS 9 -7.770 7.933 3.819 58 HA LYS 9 HA LYS 9 -9.096 8.660 1.332 59 1HB LYS 9 1HB LYS 9 -6.224 8.856 2.225 60 2HB LYS 9 2HB LYS 9 -6.756 9.279 0.605 61 1HG LYS 9 1HG LYS 9 -7.757 10.558 3.142 62 2HG LYS 9 2HG LYS 9 -6.526 11.234 2.075 63 1HD LYS 9 1HD LYS 9 -9.356 10.591 1.247 64 2HD LYS 9 2HD LYS 9 -8.785 12.195 1.712 65 1HE LYS 9 1HE LYS 9 -7.169 12.145 -0.130 66 2HE LYS 9 2HE LYS 9 -7.753 10.548 -0.596 67 1HZ LYS 9 1HZ LYS 9 -8.745 12.265 -1.959 68 2HZ LYS 9 2HZ LYS 9 -9.356 13.049 -0.591 69 3HZ LYS 9 3HZ LYS 9 -9.934 11.517 -1.017 70 H TYR 10 H TYR 10 -6.419 6.465 2.238 71 HA TYR 10 HA TYR 10 -6.115 5.235 -0.229 72 1HB TYR 10 1HB TYR 10 -5.653 4.236 2.572 73 2HB TYR 10 2HB TYR 10 -5.336 3.216 1.174 74 HD1 TYR 10 1HD TYR 10 -4.151 5.066 -0.738 75 HD2 TYR 10 2HD TYR 10 -3.582 4.797 3.470 76 HE1 TYR 10 1HE TYR 10 -1.931 6.093 -0.979 77 HE2 TYR 10 2HE TYR 10 -1.357 5.820 3.239 78 HH TYR 10 HH TYR 10 -0.322 7.341 0.384 79 H MET 11 H MET 11 -8.636 4.877 2.098 80 HA MET 11 HA MET 11 -9.594 2.355 1.097 81 1HB MET 11 1HB MET 11 -10.568 4.363 3.091 82 2HB MET 11 2HB MET 11 -11.671 3.129 2.505 83 1HG MET 11 1HG MET 11 -9.811 1.473 3.169 84 2HG MET 11 2HG MET 11 -9.172 2.816 4.115 85 1HE MET 11 1HE MET 11 -12.166 4.183 4.796 86 2HE MET 11 2HE MET 11 -10.748 4.183 5.844 87 3HE MET 11 3HE MET 11 -12.291 3.577 6.447 88 H GLU 12 H GLU 12 -11.037 5.611 1.148 89 HA GLU 12 HA GLU 12 -13.081 5.023 -0.692 90 1HB GLU 12 1HB GLU 12 -13.201 6.899 0.865 91 2HB GLU 12 2HB GLU 12 -11.855 7.683 0.050 92 1HG GLU 12 1HG GLU 12 -13.162 8.009 -1.927 93 2HG GLU 12 2HG GLU 12 -14.484 7.045 -1.270 94 H TYR 13 H TYR 13 -9.760 5.828 -1.160 95 HA TYR 13 HA TYR 13 -9.812 7.031 -3.671 96 1HB TYR 13 1HB TYR 13 -7.826 6.626 -2.062 97 2HB TYR 13 2HB TYR 13 -7.661 5.080 -2.887 98 HD1 TYR 13 1HD TYR 13 -6.740 8.496 -2.910 99 HD2 TYR 13 2HD TYR 13 -7.475 5.196 -5.497 100 HE1 TYR 13 1HE TYR 13 -5.430 9.595 -4.675 101 HE2 TYR 13 2HE TYR 13 -6.171 6.291 -7.269 102 HH TYR 13 HH TYR 13 -5.466 8.568 -7.900 103 H LEU 14 H LEU 14 -10.023 3.620 -2.789 104 HA LEU 14 HA LEU 14 -10.957 3.017 -5.474 105 1HB LEU 14 1HB LEU 14 -8.433 1.891 -4.308 106 2HB LEU 14 2HB LEU 14 -9.360 0.988 -5.488 107 HG LEU 14 HG LEU 14 -8.216 3.741 -5.958 108 1HD1 LEU 14 1HD1 LEU 14 -7.219 1.011 -6.733 109 2HD1 LEU 14 2HD1 LEU 14 -6.393 2.226 -5.757 110 3HD1 LEU 14 3HD1 LEU 14 -6.659 2.507 -7.478 111 1HD2 LEU 14 1HD2 LEU 14 -10.222 3.247 -7.276 112 2HD2 LEU 14 2HD2 LEU 14 -9.465 1.765 -7.860 113 3HD2 LEU 14 3HD2 LEU 14 -8.779 3.332 -8.287 114 H MET 15 H MET 15 -12.059 2.971 -2.716 115 HA MET 15 HA MET 15 -12.262 0.502 -1.564 116 1HB MET 15 1HB MET 15 -13.345 2.692 -0.833 117 2HB MET 15 2HB MET 15 -14.667 2.276 -1.911 118 1HG MET 15 1HG MET 15 -15.123 0.273 -0.668 119 2HG MET 15 2HG MET 15 -13.711 0.548 0.351 120 1HE MET 15 1HE MET 15 -17.443 3.268 0.374 121 2HE MET 15 2HE MET 15 -17.285 1.840 -0.650 122 3HE MET 15 3HE MET 15 -16.267 3.250 -0.940 123 HA PRO 16 HA PRO 16 -15.870 -0.726 -4.592 124 1HB PRO 16 1HB PRO 16 -15.330 0.933 -6.964 125 2HB PRO 16 2HB PRO 16 -16.862 0.598 -6.154 126 1HG PRO 16 1HG PRO 16 -15.689 3.005 -6.006 127 2HG PRO 16 2HG PRO 16 -16.591 2.318 -4.641 128 1HD PRO 16 1HD PRO 16 -13.631 2.461 -5.078 129 2HD PRO 16 2HD PRO 16 -14.566 2.729 -3.593 130 H ASP 17 H ASP 17 -12.746 0.299 -5.849 131 HA ASP 17 HA ASP 17 -12.612 -1.839 -7.777 132 1HB ASP 17 1HB ASP 17 -10.556 0.168 -6.852 133 2HB ASP 17 2HB ASP 17 -10.272 -1.017 -8.122 134 H ILE 18 H ILE 18 -12.174 -1.676 -4.468 135 HA ILE 18 HA ILE 18 -9.997 -3.583 -4.314 136 HB ILE 18 HB ILE 18 -11.787 -2.378 -2.201 137 1HG1 ILE 18 1HG1 ILE 18 -8.812 -2.082 -2.650 138 2HG1 ILE 18 2HG1 ILE 18 -10.008 -0.962 -3.288 139 1HG2 ILE 18 1HG2 ILE 18 -10.307 -3.443 -0.540 140 2HG2 ILE 18 2HG2 ILE 18 -9.524 -4.338 -1.843 141 3HG2 ILE 18 3HG2 ILE 18 -11.227 -4.616 -1.480 142 1HD1 ILE 18 1HD1 ILE 18 -10.724 -0.445 -1.005 143 2HD1 ILE 18 2HD1 ILE 18 -9.015 -0.096 -1.262 144 3HD1 ILE 18 3HD1 ILE 18 -9.497 -1.547 -0.382 145 H MET 19 H MET 19 -13.459 -3.616 -4.403 146 HA MET 19 HA MET 19 -14.146 -5.955 -3.146 147 1HB MET 19 1HB MET 19 -15.260 -4.863 -5.732 148 2HB MET 19 2HB MET 19 -16.026 -6.111 -4.760 149 1HG MET 19 1HG MET 19 -15.419 -3.332 -3.780 150 2HG MET 19 2HG MET 19 -16.968 -3.834 -4.453 151 1HE MET 19 1HE MET 19 -15.359 -4.598 -0.261 152 2HE MET 19 2HE MET 19 -14.970 -3.282 -1.370 153 3HE MET 19 3HE MET 19 -14.318 -4.896 -1.654 154 HA PRO 20 HA PRO 20 -13.257 -8.251 -7.551 155 1HB PRO 20 1HB PRO 20 -10.657 -6.780 -7.770 156 2HB PRO 20 2HB PRO 20 -11.656 -7.488 -9.045 157 1HG PRO 20 1HG PRO 20 -11.696 -4.864 -8.570 158 2HG PRO 20 2HG PRO 20 -13.172 -5.741 -9.011 159 1HD PRO 20 1HD PRO 20 -12.357 -4.612 -6.399 160 2HD PRO 20 2HD PRO 20 -13.981 -4.922 -7.039 161 H CYS 21 H CYS 21 -10.441 -7.139 -5.649 162 HA CYS 21 HA CYS 21 -9.438 -9.842 -5.405 163 1HB CYS 21 1HB CYS 21 -8.472 -7.199 -4.308 164 2HB CYS 21 2HB CYS 21 -7.645 -8.731 -4.049 165 H ALA 22 H ALA 22 -11.433 -7.716 -3.619 166 HA ALA 22 HA ALA 22 -11.009 -8.872 -1.040 167 1HB ALA 22 1HB ALA 22 -11.829 -6.581 -1.313 168 2HB ALA 22 2HB ALA 22 -12.934 -7.557 -0.347 169 3HB ALA 22 3HB ALA 22 -13.314 -7.201 -2.032 170 H ASP 23 H ASP 23 -12.384 -10.121 -3.760 171 HA ASP 23 HA ASP 23 -14.619 -11.468 -2.510 172 1HB ASP 23 1HB ASP 23 -13.384 -11.799 -5.254 173 2HB ASP 23 2HB ASP 23 -14.858 -12.593 -4.710 174 H GLU 24 H GLU 24 -11.600 -12.550 -4.079 175 HA GLU 24 HA GLU 24 -11.814 -15.163 -2.895 176 1HB GLU 24 1HB GLU 24 -9.906 -13.795 -4.763 177 2HB GLU 24 2HB GLU 24 -9.507 -15.344 -4.052 178 1HG GLU 24 1HG GLU 24 -11.485 -16.343 -5.041 179 2HG GLU 24 2HG GLU 24 -11.951 -14.779 -5.708 180 H LEU 25 H LEU 25 -9.616 -12.394 -2.687 181 HA LEU 25 HA LEU 25 -8.213 -13.557 -0.415 182 1HB LEU 25 1HB LEU 25 -7.835 -10.890 -1.738 183 2HB LEU 25 2HB LEU 25 -6.723 -11.666 -0.629 184 HG LEU 25 HG LEU 25 -7.419 -12.705 -3.379 185 1HD1 LEU 25 1HD1 LEU 25 -4.973 -11.243 -2.397 186 2HD1 LEU 25 2HD1 LEU 25 -6.168 -10.641 -3.546 187 3HD1 LEU 25 3HD1 LEU 25 -5.140 -12.007 -3.978 188 1HD2 LEU 25 1HD2 LEU 25 -5.556 -14.236 -3.028 189 2HD2 LEU 25 2HD2 LEU 25 -6.796 -14.462 -1.794 190 3HD2 LEU 25 3HD2 LEU 25 -5.314 -13.585 -1.406 191 H HIS 26 H HIS 26 -10.905 -12.970 0.005 192 HA HIS 26 HA HIS 26 -11.431 -10.497 1.216 193 1HB HIS 26 1HB HIS 26 -13.360 -11.711 2.286 194 2HB HIS 26 2HB HIS 26 -13.271 -11.849 0.535 195 HD1 HIS 26 1HD HIS 26 -12.068 -14.183 -0.298 196 HD2 HIS 26 2HD HIS 26 -13.644 -14.093 3.544 197 HE1 HIS 26 1HE HIS 26 -12.337 -16.591 0.375 198 HE2 HIS 26 2HE HIS 26 -13.352 -16.514 2.679 199 H ILE 27 H ILE 27 -9.257 -10.488 2.392 200 HA ILE 27 HA ILE 27 -9.780 -10.936 5.193 201 HB ILE 27 HB ILE 27 -7.313 -11.950 5.261 202 1HG1 ILE 27 1HG1 ILE 27 -7.184 -13.682 3.423 203 2HG1 ILE 27 2HG1 ILE 27 -8.461 -12.806 2.606 204 1HG2 ILE 27 1HG2 ILE 27 -9.311 -12.919 6.289 205 2HG2 ILE 27 2HG2 ILE 27 -8.314 -14.154 5.520 206 3HG2 ILE 27 3HG2 ILE 27 -9.787 -13.590 4.730 207 1HD1 ILE 27 1HD1 ILE 27 -6.250 -12.257 1.732 208 2HD1 ILE 27 2HD1 ILE 27 -5.771 -11.681 3.328 209 3HD1 ILE 27 3HD1 ILE 27 -7.048 -10.852 2.439 210 H SER 28 H SER 28 -9.702 -8.525 4.199 211 HA SER 28 HA SER 28 -7.340 -7.212 3.673 212 1HB SER 28 1HB SER 28 -9.622 -6.119 5.327 213 2HB SER 28 2HB SER 28 -8.427 -5.180 4.434 214 HG SER 28 HG SER 28 -9.778 -7.054 2.935 215 H GLU 29 H GLU 29 -6.035 -5.789 5.037 216 HA GLU 29 HA GLU 29 -4.631 -6.999 7.002 217 1HB GLU 29 1HB GLU 29 -5.001 -4.216 7.742 218 2HB GLU 29 2HB GLU 29 -3.553 -5.045 7.208 219 1HG GLU 29 1HG GLU 29 -3.992 -3.256 5.722 220 2HG GLU 29 2HG GLU 29 -4.324 -4.761 4.865 221 H ASP 30 H ASP 30 -7.724 -5.441 7.343 222 HA ASP 30 HA ASP 30 -7.777 -5.156 10.129 223 1HB ASP 30 1HB ASP 30 -9.400 -4.062 8.664 224 2HB ASP 30 2HB ASP 30 -10.074 -5.626 8.216 225 H ILE 31 H ILE 31 -9.017 -7.793 8.085 226 HA ILE 31 HA ILE 31 -9.495 -9.430 10.455 227 HB ILE 31 HB ILE 31 -10.088 -10.062 7.560 228 1HG1 ILE 31 1HG1 ILE 31 -11.959 -9.008 9.693 229 2HG1 ILE 31 2HG1 ILE 31 -11.262 -8.029 8.406 230 1HG2 ILE 31 1HG2 ILE 31 -9.981 -12.057 8.911 231 2HG2 ILE 31 2HG2 ILE 31 -11.667 -11.706 8.532 232 3HG2 ILE 31 3HG2 ILE 31 -11.028 -11.331 10.131 233 1HD1 ILE 31 1HD1 ILE 31 -12.412 -9.386 6.744 234 2HD1 ILE 31 2HD1 ILE 31 -13.546 -8.683 7.898 235 3HD1 ILE 31 3HD1 ILE 31 -13.096 -10.384 8.027 236 H ALA 32 H ALA 32 -7.008 -8.864 8.297 237 HA ALA 32 HA ALA 32 -6.012 -11.542 8.013 238 1HB ALA 32 1HB ALA 32 -5.513 -9.831 6.347 239 2HB ALA 32 2HB ALA 32 -4.034 -10.481 7.050 240 3HB ALA 32 3HB ALA 32 -4.630 -8.900 7.553 241 H THR 33 H THR 33 -6.220 -9.578 10.634 242 HA THR 33 HA THR 33 -3.640 -9.757 11.786 243 HB THR 33 HB THR 33 -4.737 -9.156 13.906 244 HG1 THR 33 1HG THR 33 -6.925 -10.135 12.590 245 1HG2 THR 33 1HG2 THR 33 -4.202 -7.393 12.294 246 2HG2 THR 33 2HG2 THR 33 -5.674 -7.008 13.186 247 3HG2 THR 33 3HG2 THR 33 -5.777 -7.606 11.530 248 H ASN 34 H ASN 34 -5.517 -12.259 10.982 249 HA ASN 34 HA ASN 34 -5.685 -13.861 13.269 250 1HB ASN 34 1HB ASN 34 -6.834 -14.418 11.177 251 2HB ASN 34 2HB ASN 34 -5.286 -14.699 10.387 252 1HD2 ASN 34 1HD2 ASN 34 -5.785 -16.815 9.888 253 2HD2 ASN 34 2HD2 ASN 34 -5.845 -18.062 11.082 254 H ILE 35 H ILE 35 -4.298 -15.206 14.294 255 HA ILE 35 HA ILE 35 -1.587 -14.714 14.338 256 HB ILE 35 HB ILE 35 -1.403 -17.039 15.398 257 1HG1 ILE 35 1HG1 ILE 35 -4.420 -16.873 15.323 258 2HG1 ILE 35 2HG1 ILE 35 -3.484 -17.879 14.221 259 1HG2 ILE 35 1HG2 ILE 35 -1.561 -15.007 16.702 260 2HG2 ILE 35 2HG2 ILE 35 -2.529 -16.276 17.450 261 3HG2 ILE 35 3HG2 ILE 35 -3.315 -14.999 16.523 262 1HD1 ILE 35 1HD1 ILE 35 -2.623 -19.160 16.083 263 2HD1 ILE 35 2HD1 ILE 35 -4.386 -19.141 16.115 264 3HD1 ILE 35 3HD1 ILE 35 -3.473 -18.116 17.221 265 H GLN 36 H GLN 36 -0.811 -14.642 12.201 266 HA GLN 36 HA GLN 36 -0.359 -17.295 11.005 267 1HB GLN 36 1HB GLN 36 -0.858 -14.657 9.628 268 2HB GLN 36 2HB GLN 36 -0.274 -16.094 8.796 269 1HG GLN 36 1HG GLN 36 -2.301 -17.288 9.400 270 2HG GLN 36 2HG GLN 36 -2.878 -15.881 10.292 271 1HE2 GLN 36 1HE2 GLN 36 -2.242 -17.220 7.143 272 2HE2 GLN 36 2HE2 GLN 36 -3.158 -16.063 6.245 273 H ALA 37 H ALA 37 1.040 -14.438 9.618 274 HA ALA 37 HA ALA 37 3.688 -15.484 10.154 275 1HB ALA 37 1HB ALA 37 3.050 -14.638 7.915 276 2HB ALA 37 2HB ALA 37 4.483 -13.857 8.583 277 3HB ALA 37 3HB ALA 37 2.934 -13.019 8.603 278 H ALA 38 H ALA 38 1.684 -12.799 11.154 279 HA ALA 38 HA ALA 38 1.892 -11.270 12.831 280 1HB ALA 38 1HB ALA 38 3.320 -11.785 14.703 281 2HB ALA 38 2HB ALA 38 4.191 -12.974 13.738 282 3HB ALA 38 3HB ALA 38 2.500 -13.247 14.156 283 H LYS 39 H LYS 39 3.473 -11.073 10.315 284 HA LYS 39 HA LYS 39 5.994 -10.055 10.521 285 1HB LYS 39 1HB LYS 39 4.505 -10.278 8.444 286 2HB LYS 39 2HB LYS 39 3.922 -8.665 8.840 287 1HG LYS 39 1HG LYS 39 5.665 -8.502 7.197 288 2HG LYS 39 2HG LYS 39 6.246 -7.834 8.723 289 1HD LYS 39 1HD LYS 39 7.462 -9.883 9.184 290 2HD LYS 39 2HD LYS 39 6.822 -10.618 7.712 291 1HE LYS 39 1HE LYS 39 7.963 -8.923 6.370 292 2HE LYS 39 2HE LYS 39 8.597 -8.183 7.840 293 1HZ LYS 39 1HZ LYS 39 9.808 -10.214 8.306 294 2HZ LYS 39 2HZ LYS 39 10.228 -9.620 6.779 295 3HZ LYS 39 3HZ LYS 39 9.183 -10.943 6.913 296 H ASN 40 H ASN 40 3.061 -8.036 10.639 297 HA ASN 40 HA ASN 40 4.468 -6.203 12.471 298 1HB ASN 40 1HB ASN 40 2.595 -5.505 10.194 299 2HB ASN 40 2HB ASN 40 3.100 -4.356 11.430 300 1HD2 ASN 40 1HD2 ASN 40 4.105 -6.256 8.697 301 2HD2 ASN 40 2HD2 ASN 40 5.592 -5.424 8.412 302 H GLY 41 H GLY 41 2.654 -8.511 12.821 303 1HA GLY 41 1HA GLY 41 1.216 -8.886 14.661 304 2HA GLY 41 2HA GLY 41 0.705 -7.204 14.573 305 H ALA 42 H ALA 42 0.557 -7.650 11.547 306 HA ALA 42 HA ALA 42 -2.211 -8.530 11.526 307 1HB ALA 42 1HB ALA 42 -0.469 -7.291 9.400 308 2HB ALA 42 2HB ALA 42 -1.757 -6.514 10.321 309 3HB ALA 42 3HB ALA 42 -2.146 -7.771 9.146 310 H ASP 43 H ASP 43 0.203 -9.061 9.015 311 HA ASP 43 HA ASP 43 0.583 -11.812 9.329 312 1HB ASP 43 1HB ASP 43 -1.731 -12.157 8.827 313 2HB ASP 43 2HB ASP 43 -1.673 -11.032 7.475 314 H MET 44 H MET 44 0.074 -9.285 6.916 315 HA MET 44 HA MET 44 1.400 -8.415 5.297 316 1HB MET 44 1HB MET 44 3.191 -8.907 7.118 317 2HB MET 44 2HB MET 44 3.678 -10.199 6.029 318 1HG MET 44 1HG MET 44 4.959 -8.672 5.050 319 2HG MET 44 2HG MET 44 3.467 -8.047 4.348 320 1HE MET 44 1HE MET 44 2.103 -7.067 7.104 321 2HE MET 44 2HE MET 44 1.996 -6.045 5.670 322 3HE MET 44 3HE MET 44 2.563 -5.369 7.195 323 H SER 45 H SER 45 1.438 -11.913 5.653 324 HA SER 45 HA SER 45 2.431 -12.685 3.198 325 1HB SER 45 1HB SER 45 0.196 -13.965 4.787 326 2HB SER 45 2HB SER 45 1.074 -14.742 3.471 327 HG SER 45 HG SER 45 1.779 -14.438 6.068 328 H GLN 46 H GLN 46 -0.966 -11.997 4.030 329 HA GLN 46 HA GLN 46 -1.700 -12.149 1.232 330 1HB GLN 46 1HB GLN 46 -3.254 -11.806 3.770 331 2HB GLN 46 2HB GLN 46 -4.002 -11.552 2.196 332 1HG GLN 46 1HG GLN 46 -2.750 -14.078 3.240 333 2HG GLN 46 2HG GLN 46 -4.447 -13.785 2.873 334 1HE2 GLN 46 1HE2 GLN 46 -1.274 -14.307 1.521 335 2HE2 GLN 46 2HE2 GLN 46 -1.799 -14.702 -0.078 336 H LEU 47 H LEU 47 -1.075 -9.698 3.638 337 HA LEU 47 HA LEU 47 -2.336 -7.536 2.328 338 1HB LEU 47 1HB LEU 47 0.048 -7.599 4.175 339 2HB LEU 47 2HB LEU 47 -0.684 -6.119 3.601 340 HG LEU 47 HG LEU 47 -2.855 -7.009 4.677 341 1HD1 LEU 47 1HD1 LEU 47 -2.231 -8.407 6.742 342 2HD1 LEU 47 2HD1 LEU 47 -0.792 -8.852 5.823 343 3HD1 LEU 47 3HD1 LEU 47 -2.395 -9.232 5.192 344 1HD2 LEU 47 1HD2 LEU 47 -2.163 -6.114 6.873 345 2HD2 LEU 47 2HD2 LEU 47 -1.658 -5.095 5.525 346 3HD2 LEU 47 3HD2 LEU 47 -0.486 -6.142 6.328 347 H GLY 48 H GLY 48 0.513 -9.327 1.713 348 1HA GLY 48 1HA GLY 48 1.948 -7.368 0.231 349 2HA GLY 48 2HA GLY 48 2.217 -9.104 0.194 350 H CYS 49 H CYS 49 -0.917 -8.988 -0.461 351 HA CYS 49 HA CYS 49 -0.619 -8.347 -3.302 352 1HB CYS 49 1HB CYS 49 -2.187 -10.504 -3.507 353 2HB CYS 49 2HB CYS 49 -0.439 -10.549 -3.689 354 H LEU 50 H LEU 50 -3.123 -9.672 -1.095 355 HA LEU 50 HA LEU 50 -5.341 -8.649 -2.368 356 1HB LEU 50 1HB LEU 50 -5.556 -10.154 -0.491 357 2HB LEU 50 2HB LEU 50 -4.839 -8.982 0.597 358 HG LEU 50 HG LEU 50 -7.386 -9.361 0.665 359 1HD1 LEU 50 1HD1 LEU 50 -6.182 -7.566 1.843 360 2HD1 LEU 50 2HD1 LEU 50 -7.797 -7.092 1.320 361 3HD1 LEU 50 3HD1 LEU 50 -6.383 -6.537 0.427 362 1HD2 LEU 50 1HD2 LEU 50 -7.320 -7.434 -1.645 363 2HD2 LEU 50 2HD2 LEU 50 -8.737 -8.132 -0.863 364 3HD2 LEU 50 3HD2 LEU 50 -7.659 -9.154 -1.813 365 H LYS 51 H LYS 51 -3.198 -7.056 -0.052 366 HA LYS 51 HA LYS 51 -4.646 -4.567 -0.243 367 1HB LYS 51 1HB LYS 51 -3.394 -5.354 1.826 368 2HB LYS 51 2HB LYS 51 -1.909 -4.988 0.960 369 1HG LYS 51 1HG LYS 51 -2.564 -2.657 0.770 370 2HG LYS 51 2HG LYS 51 -4.088 -3.008 1.586 371 1HD LYS 51 1HD LYS 51 -2.608 -2.071 3.205 372 2HD LYS 51 2HD LYS 51 -2.749 -3.794 3.555 373 1HE LYS 51 1HE LYS 51 -0.439 -3.105 3.744 374 2HE LYS 51 2HE LYS 51 -0.631 -4.185 2.364 375 1HZ LYS 51 1HZ LYS 51 -0.655 -2.257 0.906 376 2HZ LYS 51 2HZ LYS 51 0.767 -2.295 1.820 377 3HZ LYS 51 3HZ LYS 51 -0.473 -1.222 2.232 378 H ALA 52 H ALA 52 -2.032 -6.180 -1.851 379 HA ALA 52 HA ALA 52 -0.910 -3.772 -3.004 380 1HB ALA 52 1HB ALA 52 0.611 -5.177 -4.126 381 2HB ALA 52 2HB ALA 52 -0.451 -6.576 -3.984 382 3HB ALA 52 3HB ALA 52 0.359 -5.936 -2.553 383 H CYS 53 H CYS 53 -3.665 -5.525 -3.465 384 HA CYS 53 HA CYS 53 -3.928 -5.602 -6.269 385 1HB CYS 53 1HB CYS 53 -5.361 -6.882 -4.717 386 2HB CYS 53 2HB CYS 53 -6.079 -5.381 -4.146 387 H VAL 54 H VAL 54 -4.316 -3.122 -3.885 388 HA VAL 54 HA VAL 54 -5.795 -1.276 -5.467 389 HB VAL 54 HB VAL 54 -3.951 -0.726 -3.132 390 1HG1 VAL 54 1HG1 VAL 54 -5.236 1.340 -2.870 391 2HG1 VAL 54 2HG1 VAL 54 -6.156 0.951 -4.322 392 3HG1 VAL 54 3HG1 VAL 54 -4.427 1.278 -4.435 393 1HG2 VAL 54 1HG2 VAL 54 -5.976 -0.753 -1.763 394 2HG2 VAL 54 2HG2 VAL 54 -5.715 -2.310 -2.549 395 3HG2 VAL 54 3HG2 VAL 54 -6.930 -1.198 -3.178 396 H MET 55 H MET 55 -2.460 -2.161 -5.204 397 HA MET 55 HA MET 55 -1.313 0.157 -6.379 398 1HB MET 55 1HB MET 55 -0.244 -2.672 -6.329 399 2HB MET 55 2HB MET 55 0.687 -1.220 -6.657 400 1HG MET 55 1HG MET 55 0.251 -0.428 -4.388 401 2HG MET 55 2HG MET 55 -0.674 -1.893 -4.060 402 1HE MET 55 1HE MET 55 0.829 -2.403 -1.914 403 2HE MET 55 2HE MET 55 1.724 -0.916 -2.225 404 3HE MET 55 3HE MET 55 2.593 -2.426 -1.951 405 H LYS 56 H LYS 56 -1.926 -3.095 -7.710 406 HA LYS 56 HA LYS 56 -1.216 -2.581 -10.342 407 1HB LYS 56 1HB LYS 56 -3.434 -4.433 -9.464 408 2HB LYS 56 2HB LYS 56 -2.483 -4.546 -10.938 409 1HG LYS 56 1HG LYS 56 -0.478 -4.993 -9.590 410 2HG LYS 56 2HG LYS 56 -1.467 -4.934 -8.130 411 1HD LYS 56 1HD LYS 56 -1.911 -6.850 -10.418 412 2HD LYS 56 2HD LYS 56 -1.016 -7.241 -8.949 413 1HE LYS 56 1HE LYS 56 -2.999 -6.833 -7.604 414 2HE LYS 56 2HE LYS 56 -3.900 -6.358 -9.043 415 1HZ LYS 56 1HZ LYS 56 -2.739 -9.049 -8.560 416 2HZ LYS 56 2HZ LYS 56 -3.650 -8.589 -9.909 417 3HZ LYS 56 3HZ LYS 56 -4.372 -8.643 -8.381 418 H ARG 57 H ARG 57 -4.080 -1.689 -8.604 419 HA ARG 57 HA ARG 57 -5.733 -1.200 -10.875 420 1HB ARG 57 1HB ARG 57 -6.223 -1.424 -8.231 421 2HB ARG 57 2HB ARG 57 -6.229 0.326 -8.386 422 1HG ARG 57 1HG ARG 57 -8.445 -0.200 -8.708 423 2HG ARG 57 2HG ARG 57 -7.847 -0.106 -10.366 424 1HD ARG 57 1HD ARG 57 -8.165 -2.639 -8.754 425 2HD ARG 57 2HD ARG 57 -9.281 -2.071 -9.996 426 HE ARG 57 HE ARG 57 -6.979 -2.191 -11.352 427 1HH1 ARG 57 1HH1 ARG 57 -8.518 -4.473 -9.214 428 2HH1 ARG 57 2HH1 ARG 57 -7.855 -5.860 -10.010 429 1HH2 ARG 57 1HH2 ARG 57 -6.104 -4.011 -12.406 430 2HH2 ARG 57 2HH2 ARG 57 -6.480 -5.598 -11.822 431 H ILE 58 H ILE 58 -3.441 0.715 -9.035 432 HA ILE 58 HA ILE 58 -4.099 3.091 -10.624 433 HB ILE 58 HB ILE 58 -2.608 4.309 -9.060 434 1HG1 ILE 58 1HG1 ILE 58 -2.546 1.707 -7.518 435 2HG1 ILE 58 2HG1 ILE 58 -1.201 2.326 -8.471 436 1HG2 ILE 58 1HG2 ILE 58 -4.803 2.717 -7.743 437 2HG2 ILE 58 2HG2 ILE 58 -5.012 4.204 -8.667 438 3HG2 ILE 58 3HG2 ILE 58 -4.123 4.230 -7.145 439 1HD1 ILE 58 1HD1 ILE 58 -1.085 4.289 -7.028 440 2HD1 ILE 58 2HD1 ILE 58 -0.899 2.793 -6.112 441 3HD1 ILE 58 3HD1 ILE 58 -2.432 3.666 -6.075 442 H GLU 59 H GLU 59 -2.565 0.670 -11.561 443 HA GLU 59 HA GLU 59 -0.778 0.193 -12.884 444 1HB GLU 59 1HB GLU 59 -0.770 3.199 -13.175 445 2HB GLU 59 2HB GLU 59 0.219 2.115 -14.144 446 1HG GLU 59 1HG GLU 59 -2.790 2.121 -14.038 447 2HG GLU 59 2HG GLU 59 -1.801 2.818 -15.321 448 H MET 60 H MET 60 -0.361 0.632 -10.016 449 HA MET 60 HA MET 60 2.372 1.672 -9.927 450 1HB MET 60 1HB MET 60 0.736 2.438 -8.224 451 2HB MET 60 2HB MET 60 0.580 0.780 -7.659 452 1HG MET 60 1HG MET 60 2.935 0.763 -7.033 453 2HG MET 60 2HG MET 60 3.104 2.419 -7.611 454 1HE MET 60 1HE MET 60 3.909 1.341 -4.687 455 2HE MET 60 2HE MET 60 3.339 2.667 -3.674 456 3HE MET 60 3HE MET 60 4.167 3.012 -5.193 457 H LEU 61 H LEU 61 0.764 -1.241 -10.318 458 HA LEU 61 HA LEU 61 3.230 -2.710 -9.874 459 1HB LEU 61 1HB LEU 61 1.783 -2.730 -7.747 460 2HB LEU 61 2HB LEU 61 0.691 -3.758 -8.650 461 HG LEU 61 HG LEU 61 3.594 -4.458 -8.250 462 1HD1 LEU 61 1HD1 LEU 61 2.617 -4.230 -6.053 463 2HD1 LEU 61 2HD1 LEU 61 2.830 -5.938 -6.433 464 3HD1 LEU 61 3HD1 LEU 61 1.229 -5.205 -6.536 465 1HD2 LEU 61 1HD2 LEU 61 2.768 -6.741 -8.696 466 2HD2 LEU 61 2HD2 LEU 61 2.507 -5.646 -10.054 467 3HD2 LEU 61 3HD2 LEU 61 1.162 -6.077 -8.999 468 H LYS 62 H LYS 62 3.553 -3.716 -11.729 469 HA LYS 62 HA LYS 62 1.229 -4.720 -13.226 470 1HB LYS 62 1HB LYS 62 4.020 -4.051 -14.176 471 2HB LYS 62 2HB LYS 62 2.750 -4.722 -15.191 472 1HG LYS 62 1HG LYS 62 2.099 -2.241 -13.725 473 2HG LYS 62 2HG LYS 62 3.276 -2.109 -15.033 474 1HD LYS 62 1HD LYS 62 1.108 -1.684 -15.951 475 2HD LYS 62 2HD LYS 62 1.635 -3.269 -16.521 476 1HE LYS 62 1HE LYS 62 -0.714 -3.295 -15.844 477 2HE LYS 62 2HE LYS 62 0.263 -4.351 -14.825 478 1HZ LYS 62 1HZ LYS 62 -0.632 -1.608 -14.115 479 2HZ LYS 62 2HZ LYS 62 0.301 -2.622 -13.136 480 3HZ LYS 62 3HZ LYS 62 -1.291 -3.048 -13.516 481 H GLY 63 H GLY 63 1.189 -6.589 -11.784 482 1HA GLY 63 1HA GLY 63 1.497 -8.873 -11.611 483 2HA GLY 63 2HA GLY 63 2.661 -8.779 -12.913 484 H THR 64 H THR 64 4.760 -7.864 -12.342 485 HA THR 64 HA THR 64 5.547 -8.498 -9.580 486 HB THR 64 HB THR 64 7.668 -9.413 -10.414 487 HG1 THR 64 1HG THR 64 8.038 -9.622 -12.590 488 1HG2 THR 64 1HG2 THR 64 6.792 -11.501 -11.358 489 2HG2 THR 64 2HG2 THR 64 5.242 -10.711 -11.654 490 3HG2 THR 64 3HG2 THR 64 5.811 -10.945 -10.001 491 H GLU 65 H GLU 65 5.327 -6.108 -11.821 492 HA GLU 65 HA GLU 65 7.843 -4.788 -11.175 493 1HB GLU 65 1HB GLU 65 6.665 -4.789 -13.488 494 2HB GLU 65 2HB GLU 65 5.623 -3.562 -12.785 495 1HG GLU 65 1HG GLU 65 7.388 -2.507 -14.020 496 2HG GLU 65 2HG GLU 65 7.603 -2.189 -12.299 497 H LEU 66 H LEU 66 7.901 -2.623 -10.296 498 HA LEU 66 HA LEU 66 5.515 -1.839 -8.791 499 1HB LEU 66 1HB LEU 66 6.504 -2.616 -6.940 500 2HB LEU 66 2HB LEU 66 8.048 -2.806 -7.741 501 HG LEU 66 HG LEU 66 8.384 -0.320 -7.409 502 1HD1 LEU 66 1HD1 LEU 66 6.077 -0.709 -5.503 503 2HD1 LEU 66 2HD1 LEU 66 6.051 0.268 -6.970 504 3HD1 LEU 66 3HD1 LEU 66 7.088 0.731 -5.621 505 1HD2 LEU 66 1HD2 LEU 66 9.572 -1.942 -6.083 506 2HD2 LEU 66 2HD2 LEU 66 8.178 -2.146 -5.021 507 3HD2 LEU 66 3HD2 LEU 66 9.052 -0.615 -5.046 508 H TYR 67 H TYR 67 5.090 0.280 -8.876 509 HA TYR 67 HA TYR 67 7.163 2.067 -9.965 510 1HB TYR 67 1HB TYR 67 4.172 2.132 -10.417 511 2HB TYR 67 2HB TYR 67 5.289 3.377 -10.963 512 HD1 TYR 67 1HD TYR 67 4.634 -0.284 -11.267 513 HD2 TYR 67 2HD TYR 67 6.251 3.215 -13.071 514 HE1 TYR 67 1HE TYR 67 5.008 -1.539 -13.349 515 HE2 TYR 67 2HE TYR 67 6.628 1.970 -15.158 516 HH TYR 67 HH TYR 67 6.919 -0.343 -15.897 517 H VAL 68 H VAL 68 6.624 4.441 -9.475 518 HA VAL 68 HA VAL 68 5.440 4.765 -6.819 519 HB VAL 68 HB VAL 68 7.317 6.241 -6.167 520 1HG1 VAL 68 1HG1 VAL 68 7.252 3.940 -5.389 521 2HG1 VAL 68 2HG1 VAL 68 8.916 4.447 -5.679 522 3HG1 VAL 68 3HG1 VAL 68 8.094 3.409 -6.845 523 1HG2 VAL 68 1HG2 VAL 68 8.636 5.156 -8.651 524 2HG2 VAL 68 2HG2 VAL 68 9.427 6.129 -7.410 525 3HG2 VAL 68 3HG2 VAL 68 8.131 6.825 -8.385 526 H GLU 69 H GLU 69 5.583 5.722 -9.972 527 HA GLU 69 HA GLU 69 5.410 8.539 -9.758 528 1HB GLU 69 1HB GLU 69 4.363 6.725 -11.936 529 2HB GLU 69 2HB GLU 69 4.556 8.467 -12.063 530 1HG GLU 69 1HG GLU 69 6.978 8.197 -11.731 531 2HG GLU 69 2HG GLU 69 6.757 6.450 -11.681 532 HA PRO 70 HA PRO 70 0.599 7.841 -10.041 533 1HB PRO 70 1HB PRO 70 -0.301 5.448 -9.072 534 2HB PRO 70 2HB PRO 70 -0.002 5.768 -10.783 535 1HG PRO 70 1HG PRO 70 1.727 4.367 -8.784 536 2HG PRO 70 2HG PRO 70 1.401 3.947 -10.476 537 1HD PRO 70 1HD PRO 70 3.677 5.167 -9.708 538 2HD PRO 70 2HD PRO 70 2.921 5.485 -11.282 539 H VAL 71 H VAL 71 2.505 6.420 -7.438 540 HA VAL 71 HA VAL 71 0.577 6.944 -5.398 541 HB VAL 71 HB VAL 71 2.697 5.341 -5.429 542 1HG1 VAL 71 1HG1 VAL 71 4.510 6.165 -4.053 543 2HG1 VAL 71 2HG1 VAL 71 3.741 7.747 -3.950 544 3HG1 VAL 71 3HG1 VAL 71 4.339 7.158 -5.500 545 1HG2 VAL 71 1HG2 VAL 71 2.492 5.160 -2.996 546 2HG2 VAL 71 2HG2 VAL 71 0.917 5.316 -3.774 547 3HG2 VAL 71 3HG2 VAL 71 1.638 6.702 -2.959 548 H TYR 72 H TYR 72 3.433 8.659 -6.580 549 HA TYR 72 HA TYR 72 3.503 10.693 -4.674 550 1HB TYR 72 1HB TYR 72 4.160 10.888 -7.625 551 2HB TYR 72 2HB TYR 72 4.627 12.065 -6.405 552 HD1 TYR 72 1HD TYR 72 6.471 10.551 -8.296 553 HD2 TYR 72 2HD TYR 72 5.224 9.755 -4.307 554 HE1 TYR 72 1HE TYR 72 8.551 9.301 -7.901 555 HE2 TYR 72 2HE TYR 72 7.299 8.502 -3.901 556 HH TYR 72 HH TYR 72 9.013 7.314 -5.178 557 H LYS 73 H LYS 73 1.245 10.061 -7.166 558 HA LYS 73 HA LYS 73 0.191 12.738 -7.328 559 1HB LYS 73 1HB LYS 73 0.193 11.046 -9.213 560 2HB LYS 73 2HB LYS 73 -1.077 10.196 -8.345 561 1HG LYS 73 1HG LYS 73 -2.146 11.519 -9.976 562 2HG LYS 73 2HG LYS 73 -2.413 12.326 -8.431 563 1HD LYS 73 1HD LYS 73 -1.841 13.984 -10.074 564 2HD LYS 73 2HD LYS 73 -0.493 13.822 -8.948 565 1HE LYS 73 1HE LYS 73 0.248 13.971 -11.292 566 2HE LYS 73 2HE LYS 73 0.713 12.448 -10.533 567 1HZ LYS 73 1HZ LYS 73 -0.138 12.067 -12.746 568 2HZ LYS 73 2HZ LYS 73 -1.587 12.853 -12.369 569 3HZ LYS 73 3HZ LYS 73 -1.195 11.394 -11.608 570 H MET 74 H MET 74 -0.754 9.690 -5.758 571 HA MET 74 HA MET 74 -3.250 10.766 -4.840 572 1HB MET 74 1HB MET 74 -3.489 8.659 -3.622 573 2HB MET 74 2HB MET 74 -3.057 8.382 -5.302 574 1HG MET 74 1HG MET 74 -0.676 8.169 -4.500 575 2HG MET 74 2HG MET 74 -1.330 8.103 -2.869 576 1HE MET 74 1HE MET 74 -4.181 6.529 -3.845 577 2HE MET 74 2HE MET 74 -3.366 6.360 -2.290 578 3HE MET 74 3HE MET 74 -3.718 4.931 -3.262 579 H ILE 75 H ILE 75 -0.042 10.223 -3.459 580 HA ILE 75 HA ILE 75 -0.555 10.660 -0.782 581 HB ILE 75 HB ILE 75 1.834 11.605 -2.378 582 1HG1 ILE 75 1HG1 ILE 75 1.476 9.130 -0.677 583 2HG1 ILE 75 2HG1 ILE 75 1.365 9.156 -2.432 584 1HG2 ILE 75 1HG2 ILE 75 1.655 12.796 -0.249 585 2HG2 ILE 75 2HG2 ILE 75 3.031 11.693 -0.258 586 3HG2 ILE 75 3HG2 ILE 75 1.556 11.256 0.604 587 1HD1 ILE 75 1HD1 ILE 75 3.530 8.350 -1.692 588 2HD1 ILE 75 2HD1 ILE 75 3.802 9.855 -0.814 589 3HD1 ILE 75 3HD1 ILE 75 3.689 9.870 -2.573 590 H GLU 76 H GLU 76 -0.706 12.845 -3.439 591 HA GLU 76 HA GLU 76 -0.383 15.296 -2.142 592 1HB GLU 76 1HB GLU 76 -2.180 14.699 -4.487 593 2HB GLU 76 2HB GLU 76 -1.539 16.276 -4.034 594 1HG GLU 76 1HG GLU 76 0.743 15.383 -4.387 595 2HG GLU 76 2HG GLU 76 0.024 13.893 -4.976 596 H VAL 77 H VAL 77 -3.476 13.684 -2.973 597 HA VAL 77 HA VAL 77 -4.898 15.480 -1.177 598 HB VAL 77 HB VAL 77 -6.036 13.197 -2.793 599 1HG1 VAL 77 1HG1 VAL 77 -8.141 14.420 -2.569 600 2HG1 VAL 77 2HG1 VAL 77 -7.330 15.647 -1.596 601 3HG1 VAL 77 3HG1 VAL 77 -7.475 13.997 -0.992 602 1HG2 VAL 77 1HG2 VAL 77 -6.636 14.897 -4.469 603 2HG2 VAL 77 2HG2 VAL 77 -4.890 14.730 -4.287 604 3HG2 VAL 77 3HG2 VAL 77 -5.725 16.100 -3.556 605 H VAL 78 H VAL 78 -3.689 12.260 -1.252 606 HA VAL 78 HA VAL 78 -5.298 11.082 0.727 607 HB VAL 78 HB VAL 78 -2.554 10.430 -0.352 608 1HG1 VAL 78 1HG1 VAL 78 -4.089 8.871 1.735 609 2HG1 VAL 78 2HG1 VAL 78 -2.543 9.684 1.971 610 3HG1 VAL 78 3HG1 VAL 78 -2.655 8.303 0.883 611 1HG2 VAL 78 1HG2 VAL 78 -3.724 8.513 -1.303 612 2HG2 VAL 78 2HG2 VAL 78 -4.475 10.031 -1.798 613 3HG2 VAL 78 3HG2 VAL 78 -5.225 9.044 -0.544 614 H HIS 79 H HIS 79 -3.153 13.602 0.974 615 HA HIS 79 HA HIS 79 -3.078 13.371 3.876 616 1HB HIS 79 1HB HIS 79 -0.605 13.852 2.199 617 2HB HIS 79 2HB HIS 79 -0.683 14.024 3.950 618 HD1 HIS 79 1HD HIS 79 -0.927 11.816 5.340 619 HD2 HIS 79 2HD HIS 79 -0.355 11.261 1.262 620 HE1 HIS 79 1HE HIS 79 -0.323 9.388 5.069 621 HE2 HIS 79 2HE HIS 79 -0.071 9.057 2.585 622 H ALA 80 H ALA 80 -4.783 14.984 2.621 623 HA ALA 80 HA ALA 80 -3.840 17.550 1.930 624 1HB ALA 80 1HB ALA 80 -6.049 16.727 1.281 625 2HB ALA 80 2HB ALA 80 -6.159 18.263 2.139 626 3HB ALA 80 3HB ALA 80 -6.559 16.758 2.970 627 H GLY 81 H GLY 81 -3.380 19.326 3.101 628 1HA GLY 81 1HA GLY 81 -4.171 20.454 5.302 629 2HA GLY 81 2HA GLY 81 -3.428 19.037 6.025 630 H ASN 82 H ASN 82 -1.104 18.648 5.266 631 HA ASN 82 HA ASN 82 0.301 21.238 5.238 632 1HB ASN 82 1HB ASN 82 1.169 18.597 6.429 633 2HB ASN 82 2HB ASN 82 2.164 20.048 6.373 634 1HD2 ASN 82 1HD2 ASN 82 2.331 20.186 8.589 635 2HD2 ASN 82 2HD2 ASN 82 1.008 20.653 9.596 636 H ALA 83 H ALA 83 2.129 21.474 3.942 637 HA ALA 83 HA ALA 83 2.085 19.937 1.517 638 1HB ALA 83 1HB ALA 83 2.459 22.341 1.456 639 2HB ALA 83 2HB ALA 83 3.832 21.478 0.763 640 3HB ALA 83 3HB ALA 83 3.942 22.147 2.392 641 H ASP 84 H ASP 84 3.876 19.826 4.464 642 HA ASP 84 HA ASP 84 6.092 18.380 3.298 643 1HB ASP 84 1HB ASP 84 5.469 18.775 6.226 644 2HB ASP 84 2HB ASP 84 6.995 18.242 5.523 645 H ASP 85 H ASP 85 3.072 17.654 4.864 646 HA ASP 85 HA ASP 85 3.574 15.025 5.685 647 1HB ASP 85 1HB ASP 85 1.057 16.393 4.729 648 2HB ASP 85 2HB ASP 85 1.063 14.712 5.255 649 H ILE 86 H ILE 86 3.086 16.449 2.590 650 HA ILE 86 HA ILE 86 2.745 13.929 1.201 651 HB ILE 86 HB ILE 86 3.134 16.739 0.141 652 1HG1 ILE 86 1HG1 ILE 86 0.608 15.083 0.242 653 2HG1 ILE 86 2HG1 ILE 86 1.029 16.289 1.455 654 1HG2 ILE 86 1HG2 ILE 86 2.334 14.215 -1.306 655 2HG2 ILE 86 2HG2 ILE 86 3.865 15.074 -1.477 656 3HG2 ILE 86 3HG2 ILE 86 2.364 15.834 -2.004 657 1HD1 ILE 86 1HD1 ILE 86 0.991 18.026 -0.240 658 2HD1 ILE 86 2HD1 ILE 86 -0.544 17.158 -0.188 659 3HD1 ILE 86 3HD1 ILE 86 0.614 16.826 -1.477 660 H GLN 87 H GLN 87 5.234 16.155 2.091 661 HA GLN 87 HA GLN 87 7.198 15.148 0.251 662 1HB GLN 87 1HB GLN 87 7.969 17.207 0.669 663 2HB GLN 87 2HB GLN 87 6.935 17.369 2.078 664 1HG GLN 87 1HG GLN 87 8.560 16.386 3.487 665 2HG GLN 87 2HG GLN 87 9.564 15.923 2.115 666 1HE2 GLN 87 1HE2 GLN 87 10.224 17.559 4.441 667 2HE2 GLN 87 2HE2 GLN 87 10.744 19.086 3.821 668 H LEU 88 H LEU 88 6.051 14.336 3.372 669 HA LEU 88 HA LEU 88 8.446 12.983 4.235 670 1HB LEU 88 1HB LEU 88 6.869 14.061 5.818 671 2HB LEU 88 2HB LEU 88 5.652 12.880 5.376 672 HG LEU 88 HG LEU 88 7.103 11.085 6.264 673 1HD1 LEU 88 1HD1 LEU 88 9.266 12.147 5.951 674 2HD1 LEU 88 2HD1 LEU 88 9.040 11.686 7.638 675 3HD1 LEU 88 3HD1 LEU 88 8.856 13.370 7.153 676 1HD2 LEU 88 1HD2 LEU 88 6.785 11.624 8.625 677 2HD2 LEU 88 2HD2 LEU 88 5.377 12.087 7.668 678 3HD2 LEU 88 3HD2 LEU 88 6.521 13.317 8.206 679 H VAL 89 H VAL 89 5.131 11.904 3.462 680 HA VAL 89 HA VAL 89 5.591 9.170 3.507 681 HB VAL 89 HB VAL 89 3.685 10.680 1.711 682 1HG1 VAL 89 1HG1 VAL 89 3.794 7.776 2.509 683 2HG1 VAL 89 2HG1 VAL 89 3.911 8.452 0.883 684 3HG1 VAL 89 3HG1 VAL 89 2.388 8.542 1.770 685 1HG2 VAL 89 1HG2 VAL 89 3.338 11.219 4.048 686 2HG2 VAL 89 2HG2 VAL 89 3.303 9.506 4.463 687 3HG2 VAL 89 3HG2 VAL 89 2.027 10.198 3.463 688 H LYS 90 H LYS 90 6.163 11.504 0.943 689 HA LYS 90 HA LYS 90 6.665 9.698 -1.150 690 1HB LYS 90 1HB LYS 90 7.015 12.546 -0.641 691 2HB LYS 90 2HB LYS 90 8.279 11.888 -1.669 692 1HG LYS 90 1HG LYS 90 6.847 11.435 -3.379 693 2HG LYS 90 2HG LYS 90 5.470 11.187 -2.308 694 1HD LYS 90 1HD LYS 90 4.944 13.400 -2.239 695 2HD LYS 90 2HD LYS 90 6.619 13.912 -2.447 696 1HE LYS 90 1HE LYS 90 6.522 13.276 -4.806 697 2HE LYS 90 2HE LYS 90 4.854 12.745 -4.596 698 1HZ LYS 90 1HZ LYS 90 4.994 14.961 -5.566 699 2HZ LYS 90 2HZ LYS 90 5.826 15.524 -4.205 700 3HZ LYS 90 3HZ LYS 90 4.224 15.001 -4.061 701 H GLY 91 H GLY 91 8.654 10.869 1.471 702 1HA GLY 91 1HA GLY 91 11.085 9.751 0.347 703 2HA GLY 91 2HA GLY 91 10.926 10.557 1.901 704 H ILE 92 H ILE 92 8.558 8.766 2.493 705 HA ILE 92 HA ILE 92 10.028 6.736 3.859 706 HB ILE 92 HB ILE 92 7.055 7.036 3.508 707 1HG1 ILE 92 1HG1 ILE 92 8.807 7.805 5.787 708 2HG1 ILE 92 2HG1 ILE 92 8.143 8.930 4.626 709 1HG2 ILE 92 1HG2 ILE 92 6.858 5.547 5.436 710 2HG2 ILE 92 2HG2 ILE 92 8.609 5.332 5.432 711 3HG2 ILE 92 3HG2 ILE 92 7.645 4.750 4.075 712 1HD1 ILE 92 1HD1 ILE 92 6.582 7.225 6.550 713 2HD1 ILE 92 2HD1 ILE 92 5.889 8.330 5.362 714 3HD1 ILE 92 3HD1 ILE 92 6.872 8.959 6.686 715 H ALA 93 H ALA 93 7.932 6.812 1.015 716 HA ALA 93 HA ALA 93 7.758 4.038 0.596 717 1HB ALA 93 1HB ALA 93 7.671 6.252 -1.453 718 2HB ALA 93 2HB ALA 93 6.298 5.650 -0.525 719 3HB ALA 93 3HB ALA 93 7.105 4.598 -1.688 720 H ASN 94 H ASN 94 10.231 6.371 -0.167 721 HA ASN 94 HA ASN 94 11.679 4.972 -2.098 722 1HB ASN 94 1HB ASN 94 12.134 7.305 -1.591 723 2HB ASN 94 2HB ASN 94 12.656 6.879 0.036 724 1HD2 ASN 94 1HD2 ASN 94 13.470 6.871 -3.332 725 2HD2 ASN 94 2HD2 ASN 94 15.143 6.488 -3.138 726 H GLU 95 H GLU 95 11.439 4.477 1.327 727 HA GLU 95 HA GLU 95 13.832 2.903 1.552 728 1HB GLU 95 1HB GLU 95 12.735 4.213 3.430 729 2HB GLU 95 2HB GLU 95 11.511 2.949 3.484 730 1HG GLU 95 1HG GLU 95 13.202 2.595 5.182 731 2HG GLU 95 2HG GLU 95 13.232 1.298 3.989 732 H CYS 96 H CYS 96 10.613 2.329 0.552 733 HA CYS 96 HA CYS 96 10.679 -0.514 1.112 734 1HB CYS 96 1HB CYS 96 8.661 1.334 -0.124 735 2HB CYS 96 2HB CYS 96 8.481 -0.412 -0.241 736 H ILE 97 H ILE 97 10.808 1.597 -1.744 737 HA ILE 97 HA ILE 97 10.842 -0.416 -3.686 738 HB ILE 97 HB ILE 97 11.942 2.385 -3.660 739 1HG1 ILE 97 1HG1 ILE 97 10.171 2.645 -5.439 740 2HG1 ILE 97 2HG1 ILE 97 9.667 1.000 -5.075 741 1HG2 ILE 97 1HG2 ILE 97 13.464 1.211 -5.090 742 2HG2 ILE 97 2HG2 ILE 97 12.353 2.131 -6.105 743 3HG2 ILE 97 3HG2 ILE 97 12.135 0.393 -5.912 744 1HD1 ILE 97 1HD1 ILE 97 9.149 1.669 -2.786 745 2HD1 ILE 97 2HD1 ILE 97 8.241 2.610 -3.969 746 3HD1 ILE 97 3HD1 ILE 97 9.641 3.319 -3.163 747 H GLU 98 H GLU 98 13.472 1.062 -1.854 748 HA GLU 98 HA GLU 98 15.535 -0.395 -3.190 749 1HB GLU 98 1HB GLU 98 15.585 1.020 -0.517 750 2HB GLU 98 2HB GLU 98 16.997 0.435 -1.387 751 1HG GLU 98 1HG GLU 98 16.451 1.973 -3.237 752 2HG GLU 98 2HG GLU 98 15.106 2.599 -2.285 753 H ASN 99 H ASN 99 13.254 -1.205 -0.833 754 HA ASN 99 HA ASN 99 14.882 -3.379 0.259 755 1HB ASN 99 1HB ASN 99 13.750 -2.131 1.953 756 2HB ASN 99 2HB ASN 99 12.221 -2.212 1.080 757 1HD2 ASN 99 1HD2 ASN 99 10.990 -4.048 1.181 758 2HD2 ASN 99 2HD2 ASN 99 11.303 -5.331 2.294 759 H ALA 100 H ALA 100 11.412 -3.220 -0.503 760 HA ALA 100 HA ALA 100 11.083 -5.895 -1.122 761 1HB ALA 100 1HB ALA 100 9.550 -3.546 -2.230 762 2HB ALA 100 2HB ALA 100 9.208 -4.401 -0.726 763 3HB ALA 100 3HB ALA 100 9.023 -5.228 -2.271 764 H LYS 101 H LYS 101 11.749 -3.191 -3.319 765 HA LYS 101 HA LYS 101 12.710 -3.090 -5.373 766 1HB LYS 101 1HB LYS 101 14.386 -4.615 -4.342 767 2HB LYS 101 2HB LYS 101 13.478 -5.974 -4.987 768 1HG LYS 101 1HG LYS 101 14.260 -3.849 -6.888 769 2HG LYS 101 2HG LYS 101 15.531 -4.884 -6.255 770 1HD LYS 101 1HD LYS 101 13.016 -5.868 -7.587 771 2HD LYS 101 2HD LYS 101 14.585 -5.712 -8.381 772 1HE LYS 101 1HE LYS 101 13.752 -7.600 -6.204 773 2HE LYS 101 2HE LYS 101 14.473 -7.958 -7.770 774 1HZ LYS 101 1HZ LYS 101 16.081 -8.242 -6.007 775 2HZ LYS 101 2HZ LYS 101 15.852 -6.646 -5.494 776 3HZ LYS 101 3HZ LYS 101 16.542 -6.956 -7.007 777 H GLY 102 H GLY 102 11.648 -6.498 -5.408 778 1HA GLY 102 1HA GLY 102 9.239 -6.362 -6.618 779 2HA GLY 102 2HA GLY 102 10.347 -6.075 -7.952 780 H GLU 103 H GLU 103 9.635 -8.363 -5.338 781 HA GLU 103 HA GLU 103 11.228 -10.479 -6.263 782 1HB GLU 103 1HB GLU 103 8.700 -10.505 -4.615 783 2HB GLU 103 2HB GLU 103 9.720 -11.912 -4.869 784 1HG GLU 103 1HG GLU 103 10.601 -9.345 -3.570 785 2HG GLU 103 2HG GLU 103 10.117 -10.807 -2.711 786 H THR 104 H THR 104 9.935 -12.712 -6.710 787 HA THR 104 HA THR 104 8.763 -12.296 -9.322 788 HB THR 104 HB THR 104 10.391 -14.071 -9.115 789 HG1 THR 104 1HG THR 104 8.190 -14.300 -10.322 790 1HG2 THR 104 1HG2 THR 104 8.484 -15.375 -7.167 791 2HG2 THR 104 2HG2 THR 104 10.017 -14.615 -6.740 792 3HG2 THR 104 3HG2 THR 104 10.000 -16.054 -7.760 793 H ASP 105 H ASP 105 7.739 -13.675 -6.208 794 HA ASP 105 HA ASP 105 5.066 -14.153 -7.241 795 1HB ASP 105 1HB ASP 105 6.106 -15.783 -5.700 796 2HB ASP 105 2HB ASP 105 6.156 -14.548 -4.446 797 H GLU 106 H GLU 106 3.484 -12.711 -7.157 798 HA GLU 106 HA GLU 106 3.667 -10.105 -6.468 799 1HB GLU 106 1HB GLU 106 1.778 -11.039 -7.686 800 2HB GLU 106 2HB GLU 106 1.200 -11.829 -6.224 801 1HG GLU 106 1HG GLU 106 0.794 -9.670 -5.193 802 2HG GLU 106 2HG GLU 106 1.437 -8.852 -6.618 803 H CYS 107 H CYS 107 1.935 -12.382 -4.316 804 HA CYS 107 HA CYS 107 1.659 -10.747 -2.138 805 1HB CYS 107 1HB CYS 107 2.173 -13.726 -2.144 806 2HB CYS 107 2HB CYS 107 1.554 -12.816 -0.770 807 H ASN 108 H ASN 108 4.497 -12.601 -3.094 808 HA ASN 108 HA ASN 108 5.965 -12.205 -0.702 809 1HB ASN 108 1HB ASN 108 6.506 -13.951 -2.390 810 2HB ASN 108 2HB ASN 108 7.040 -12.682 -3.489 811 1HD2 ASN 108 1HD2 ASN 108 9.139 -13.375 -3.597 812 2HD2 ASN 108 2HD2 ASN 108 10.236 -13.263 -2.268 813 H ILE 109 H ILE 109 5.808 -10.443 -3.764 814 HA ILE 109 HA ILE 109 7.848 -8.592 -3.306 815 HB ILE 109 HB ILE 109 5.270 -8.063 -4.791 816 1HG1 ILE 109 1HG1 ILE 109 7.848 -9.137 -5.934 817 2HG1 ILE 109 2HG1 ILE 109 6.496 -10.163 -5.477 818 1HG2 ILE 109 1HG2 ILE 109 6.648 -6.488 -6.089 819 2HG2 ILE 109 2HG2 ILE 109 8.016 -6.838 -5.031 820 3HG2 ILE 109 3HG2 ILE 109 6.573 -6.060 -4.380 821 1HD1 ILE 109 1HD1 ILE 109 6.503 -9.719 -7.860 822 2HD1 ILE 109 2HD1 ILE 109 6.431 -7.986 -7.547 823 3HD1 ILE 109 3HD1 ILE 109 5.078 -9.021 -7.094 824 H GLY 110 H GLY 110 4.362 -8.344 -2.673 825 1HA GLY 110 1HA GLY 110 4.450 -5.782 -1.496 826 2HA GLY 110 2HA GLY 110 3.154 -6.952 -1.311 827 H ASN 111 H ASN 111 4.757 -9.025 -0.101 828 HA ASN 111 HA ASN 111 4.429 -8.484 2.573 829 1HB ASN 111 1HB ASN 111 5.956 -10.473 1.037 830 2HB ASN 111 2HB ASN 111 6.558 -10.194 2.670 831 1HD2 ASN 111 1HD2 ASN 111 5.057 -10.447 4.439 832 2HD2 ASN 111 2HD2 ASN 111 3.751 -11.571 4.286 833 H LYS 112 H LYS 112 7.264 -7.808 0.585 834 HA LYS 112 HA LYS 112 8.747 -6.791 2.860 835 1HB LYS 112 1HB LYS 112 9.367 -7.032 -0.078 836 2HB LYS 112 2HB LYS 112 10.429 -6.178 1.030 837 1HG LYS 112 1HG LYS 112 11.370 -8.285 0.923 838 2HG LYS 112 2HG LYS 112 10.400 -8.364 2.395 839 1HD LYS 112 1HD LYS 112 8.613 -9.483 1.173 840 2HD LYS 112 2HD LYS 112 9.548 -9.362 -0.321 841 1HE LYS 112 1HE LYS 112 9.754 -11.588 0.631 842 2HE LYS 112 2HE LYS 112 11.305 -10.752 0.677 843 1HZ LYS 112 1HZ LYS 112 10.877 -11.907 2.746 844 2HZ LYS 112 2HZ LYS 112 9.429 -11.059 2.961 845 3HZ LYS 112 3HZ LYS 112 10.906 -10.236 3.010 846 H TYR 113 H TYR 113 6.694 -5.590 0.358 847 HA TYR 113 HA TYR 113 7.619 -2.877 0.468 848 1HB TYR 113 1HB TYR 113 6.371 -4.103 -1.458 849 2HB TYR 113 2HB TYR 113 4.915 -3.677 -0.561 850 HD1 TYR 113 1HD TYR 113 4.059 -1.460 -0.599 851 HD2 TYR 113 2HD TYR 113 7.861 -2.299 -2.311 852 HE1 TYR 113 1HE TYR 113 4.084 0.774 -1.626 853 HE2 TYR 113 2HE TYR 113 7.896 -0.069 -3.343 854 HH TYR 113 HH TYR 113 5.697 2.387 -2.485 855 H THR 114 H THR 114 4.440 -4.274 1.342 856 HA THR 114 HA THR 114 3.500 -2.097 2.768 857 HB THR 114 HB THR 114 1.995 -3.888 2.198 858 HG1 THR 114 1HG THR 114 2.344 -3.269 4.922 859 1HG2 THR 114 1HG2 THR 114 3.873 -5.533 3.829 860 2HG2 THR 114 2HG2 THR 114 3.104 -5.900 2.283 861 3HG2 THR 114 3HG2 THR 114 2.171 -5.984 3.777 862 H ASP 115 H ASP 115 5.757 -4.561 3.708 863 HA ASP 115 HA ASP 115 5.701 -4.429 6.468 864 1HB ASP 115 1HB ASP 115 7.088 -6.018 5.219 865 2HB ASP 115 2HB ASP 115 8.126 -4.699 4.675 866 H CYS 116 H CYS 116 8.163 -2.746 4.537 867 HA CYS 116 HA CYS 116 9.041 -1.030 6.528 868 1HB CYS 116 1HB CYS 116 9.640 0.443 4.408 869 2HB CYS 116 2HB CYS 116 10.475 -1.073 4.737 870 H TYR 117 H TYR 117 6.336 -0.666 4.308 871 HA TYR 117 HA TYR 117 5.853 2.068 4.714 872 1HB TYR 117 1HB TYR 117 4.743 0.181 3.120 873 2HB TYR 117 2HB TYR 117 3.483 0.335 4.339 874 HD1 TYR 117 1HD TYR 117 1.750 1.657 3.576 875 HD2 TYR 117 2HD TYR 117 5.742 2.776 2.623 876 HE1 TYR 117 1HE TYR 117 0.912 3.677 2.451 877 HE2 TYR 117 2HE TYR 117 4.916 4.799 1.499 878 HH TYR 117 HH TYR 117 1.754 5.928 1.838 879 H ILE 118 H ILE 118 4.968 -0.763 6.576 880 HA ILE 118 HA ILE 118 3.289 0.757 8.385 881 HB ILE 118 HB ILE 118 4.214 -2.117 8.501 882 1HG1 ILE 118 1HG1 ILE 118 1.546 -0.906 7.753 883 2HG1 ILE 118 2HG1 ILE 118 2.709 -1.583 6.620 884 1HG2 ILE 118 1HG2 ILE 118 2.178 -0.689 10.203 885 2HG2 ILE 118 2HG2 ILE 118 3.748 -1.289 10.737 886 3HG2 ILE 118 3HG2 ILE 118 2.499 -2.423 10.223 887 1HD1 ILE 118 1HD1 ILE 118 0.979 -3.180 6.989 888 2HD1 ILE 118 2HD1 ILE 118 1.168 -3.056 8.738 889 3HD1 ILE 118 3HD1 ILE 118 2.449 -3.771 7.762 890 H GLU 119 H GLU 119 6.589 -0.009 8.046 891 HA GLU 119 HA GLU 119 7.320 0.003 10.796 892 1HB GLU 119 1HB GLU 119 8.923 0.445 8.277 893 2HB GLU 119 2HB GLU 119 9.639 0.413 9.883 894 1HG GLU 119 1HG GLU 119 8.114 -1.848 8.610 895 2HG GLU 119 2HG GLU 119 9.869 -1.723 8.717 896 H LYS 120 H LYS 120 7.797 2.460 8.237 897 HA LYS 120 HA LYS 120 8.360 4.467 10.256 898 1HB LYS 120 1HB LYS 120 8.229 4.753 7.253 899 2HB LYS 120 2HB LYS 120 8.866 5.938 8.380 900 1HG LYS 120 1HG LYS 120 10.782 4.954 7.596 901 2HG LYS 120 2HG LYS 120 10.486 4.027 9.069 902 1HD LYS 120 1HD LYS 120 9.418 2.266 7.739 903 2HD LYS 120 2HD LYS 120 9.720 3.196 6.270 904 1HE LYS 120 1HE LYS 120 11.394 1.461 6.528 905 2HE LYS 120 2HE LYS 120 12.133 3.054 6.691 906 1HZ LYS 120 1HZ LYS 120 12.938 1.507 8.370 907 2HZ LYS 120 2HZ LYS 120 11.364 1.281 8.945 908 3HZ LYS 120 3HZ LYS 120 12.105 2.793 9.085 909 H LEU 121 H LEU 121 5.949 3.992 7.678 910 HA LEU 121 HA LEU 121 4.428 6.280 8.640 911 1HB LEU 121 1HB LEU 121 4.874 5.243 6.149 912 2HB LEU 121 2HB LEU 121 3.264 4.651 6.503 913 HG LEU 121 HG LEU 121 4.127 7.542 6.512 914 1HD1 LEU 121 1HD1 LEU 121 4.028 6.629 4.274 915 2HD1 LEU 121 2HD1 LEU 121 2.666 7.716 4.543 916 3HD1 LEU 121 3HD1 LEU 121 2.422 5.970 4.587 917 1HD2 LEU 121 1HD2 LEU 121 1.729 8.028 6.758 918 2HD2 LEU 121 2HD2 LEU 121 2.377 7.163 8.152 919 3HD2 LEU 121 3HD2 LEU 121 1.411 6.304 6.952 920 H PHE 122 H PHE 122 4.470 2.931 9.227 921 HA PHE 122 HA PHE 122 3.099 1.597 10.462 922 1HB PHE 122 1HB PHE 122 2.330 2.813 12.177 923 2HB PHE 122 2HB PHE 122 2.254 4.267 11.190 924 HD1 PHE 122 1HD PHE 122 0.392 1.199 12.098 925 HD2 PHE 122 2HD PHE 122 0.202 5.141 10.506 926 HE1 PHE 122 1HE PHE 122 -2.063 1.108 12.187 927 HE2 PHE 122 2HE PHE 122 -2.252 5.060 10.593 928 HZ PHE 122 HZ PHE 122 -3.394 3.030 11.377 929 H SER 123 H SER 123 1.862 3.487 7.853 930 HA SER 123 HA SER 123 -0.596 2.063 7.532 931 1HB SER 123 1HB SER 123 -0.673 3.210 5.321 932 2HB SER 123 2HB SER 123 -0.397 4.320 6.663 933 HG SER 123 HG SER 123 1.302 4.916 5.597 934 1H4 TSD 124 1H4 TSP 124 -2.363 -0.822 -1.084 935 2H4 TSD 124 2H4 TSP 124 -0.640 -0.891 -1.367 936 3H4 TSD 124 3H4 TSP 124 -1.707 -0.287 -2.614 937 1H5 TSD 124 1H5 TSP 124 -1.872 2.084 -3.125 938 2H5 TSD 124 2H5 TSP 124 -0.836 3.230 -2.307 939 3H5 TSD 124 3H5 TSP 124 -2.544 3.171 -1.933 940 1H6 TSD 124 1H6 TSP 124 0.612 0.720 0.341 941 2H6 TSD 124 2H6 TSP 124 0.329 2.443 0.440 942 3H6 TSD 124 3H6 TSP 124 1.015 1.750 -1.012 943 1D3 TSD 124 1D3 TSP 124 -2.472 2.595 0.820 944 2D3 TSD 124 2D3 TSP 124 -3.558 1.472 0.028 945 1D2 TSD 124 1D2 TSP 124 -1.473 0.742 2.108 946 2D2 TSD 124 2D2 TSP 124 -2.546 -0.401 1.300 Start of MODEL 6 1 HA ILE 1 HA ILE 1 0.979 13.924 9.751 2 HB ILE 1 HB ILE 1 0.518 12.010 8.254 3 1HG1 ILE 1 1HG1 ILE 1 2.643 10.572 9.861 4 2HG1 ILE 1 2HG1 ILE 1 0.918 10.236 9.967 5 1HG2 ILE 1 1HG2 ILE 1 2.297 13.583 7.725 6 2HG2 ILE 1 2HG2 ILE 1 2.724 11.957 7.191 7 3HG2 ILE 1 3HG2 ILE 1 3.444 12.622 8.660 8 1HD1 ILE 1 1HD1 ILE 1 2.041 8.616 8.561 9 2HD1 ILE 1 2HD1 ILE 1 2.638 9.909 7.521 10 3HD1 ILE 1 3HD1 ILE 1 0.907 9.581 7.615 11 H ASP 2 H ASP 2 -1.239 13.708 9.689 12 HA ASP 2 HA ASP 2 -2.449 12.586 12.026 13 1HB ASP 2 1HB ASP 2 -3.677 13.856 9.568 14 2HB ASP 2 2HB ASP 2 -4.567 13.425 11.025 15 H GLN 3 H GLN 3 -3.537 10.731 12.271 16 HA GLN 3 HA GLN 3 -3.223 8.630 10.415 17 1HB GLN 3 1HB GLN 3 -3.446 8.285 12.844 18 2HB GLN 3 2HB GLN 3 -5.109 8.846 12.771 19 1HG GLN 3 1HG GLN 3 -5.649 6.951 11.287 20 2HG GLN 3 2HG GLN 3 -3.995 6.372 11.475 21 1HE2 GLN 3 1HE2 GLN 3 -7.069 6.827 13.025 22 2HE2 GLN 3 2HE2 GLN 3 -6.756 5.824 14.396 23 H ASP 4 H ASP 4 -5.642 11.042 10.841 24 HA ASP 4 HA ASP 4 -7.821 9.781 9.573 25 1HB ASP 4 1HB ASP 4 -7.151 12.724 9.788 26 2HB ASP 4 2HB ASP 4 -8.712 12.076 9.291 27 H THR 5 H THR 5 -5.439 12.107 8.304 28 HA THR 5 HA THR 5 -6.279 12.250 5.679 29 HB THR 5 HB THR 5 -3.954 12.797 5.078 30 HG1 THR 5 1HG THR 5 -2.399 11.999 6.257 31 1HG2 THR 5 1HG2 THR 5 -4.859 14.010 7.692 32 2HG2 THR 5 2HG2 THR 5 -5.357 14.527 6.080 33 3HG2 THR 5 3HG2 THR 5 -3.679 14.715 6.586 34 H VAL 6 H VAL 6 -4.579 9.694 7.296 35 HA VAL 6 HA VAL 6 -3.792 8.331 4.898 36 HB VAL 6 HB VAL 6 -3.926 7.279 7.725 37 1HG1 VAL 6 1HG1 VAL 6 -3.854 5.486 6.103 38 2HG1 VAL 6 2HG1 VAL 6 -2.295 5.617 6.917 39 3HG1 VAL 6 3HG1 VAL 6 -2.491 6.249 5.282 40 1HG2 VAL 6 1HG2 VAL 6 -1.648 8.543 6.205 41 2HG2 VAL 6 2HG2 VAL 6 -1.502 7.747 7.771 42 3HG2 VAL 6 3HG2 VAL 6 -2.475 9.208 7.613 43 H VAL 7 H VAL 7 -6.030 7.373 7.508 44 HA VAL 7 HA VAL 7 -7.196 5.251 6.077 45 HB VAL 7 HB VAL 7 -8.343 6.830 8.381 46 1HG1 VAL 7 1HG1 VAL 7 -9.694 4.804 8.796 47 2HG1 VAL 7 2HG1 VAL 7 -9.089 4.119 7.287 48 3HG1 VAL 7 3HG1 VAL 7 -10.082 5.576 7.260 49 1HG2 VAL 7 1HG2 VAL 7 -6.769 4.257 8.371 50 2HG2 VAL 7 2HG2 VAL 7 -7.439 5.066 9.789 51 3HG2 VAL 7 3HG2 VAL 7 -6.152 5.836 8.859 52 H ALA 8 H ALA 8 -8.626 8.417 6.875 53 HA ALA 8 HA ALA 8 -10.988 8.204 5.511 54 1HB ALA 8 1HB ALA 8 -11.053 10.628 5.456 55 2HB ALA 8 2HB ALA 8 -9.320 10.699 5.768 56 3HB ALA 8 3HB ALA 8 -10.412 10.058 6.996 57 H LYS 9 H LYS 9 -7.819 8.975 4.139 58 HA LYS 9 HA LYS 9 -9.017 9.548 1.552 59 1HB LYS 9 1HB LYS 9 -6.151 9.566 2.480 60 2HB LYS 9 2HB LYS 9 -6.648 9.930 0.835 61 1HG LYS 9 1HG LYS 9 -7.462 11.455 3.302 62 2HG LYS 9 2HG LYS 9 -6.264 11.963 2.113 63 1HD LYS 9 1HD LYS 9 -9.204 11.519 1.591 64 2HD LYS 9 2HD LYS 9 -8.403 13.083 1.744 65 1HE LYS 9 1HE LYS 9 -6.973 12.452 -0.206 66 2HE LYS 9 2HE LYS 9 -7.964 11.006 -0.397 67 1HZ LYS 9 1HZ LYS 9 -8.903 13.818 -0.587 68 2HZ LYS 9 2HZ LYS 9 -9.903 12.456 -0.686 69 3HZ LYS 9 3HZ LYS 9 -8.726 12.728 -1.871 70 H TYR 10 H TYR 10 -6.478 7.288 2.669 71 HA TYR 10 HA TYR 10 -6.221 5.801 0.369 72 1HB TYR 10 1HB TYR 10 -5.809 5.194 3.255 73 2HB TYR 10 2HB TYR 10 -5.798 3.846 2.125 74 HD1 TYR 10 1HD TYR 10 -4.172 3.973 0.144 75 HD2 TYR 10 2HD TYR 10 -3.910 6.527 3.536 76 HE1 TYR 10 1HE TYR 10 -1.832 4.470 -0.418 77 HE2 TYR 10 2HE TYR 10 -1.568 7.031 2.984 78 HH TYR 10 HH TYR 10 -0.169 6.221 -0.005 79 H MET 11 H MET 11 -8.796 5.710 2.706 80 HA MET 11 HA MET 11 -9.900 3.218 1.879 81 1HB MET 11 1HB MET 11 -10.420 4.049 4.072 82 2HB MET 11 2HB MET 11 -11.068 5.543 3.411 83 1HG MET 11 1HG MET 11 -12.811 3.987 4.167 84 2HG MET 11 2HG MET 11 -12.934 4.372 2.452 85 1HE MET 11 1HE MET 11 -11.203 0.396 4.045 86 2HE MET 11 2HE MET 11 -11.764 1.704 5.088 87 3HE MET 11 3HE MET 11 -10.320 1.922 4.099 88 H GLU 12 H GLU 12 -10.931 6.587 1.313 89 HA GLU 12 HA GLU 12 -12.982 5.950 -0.505 90 1HB GLU 12 1HB GLU 12 -12.834 8.106 0.663 91 2HB GLU 12 2HB GLU 12 -11.389 8.506 -0.257 92 1HG GLU 12 1HG GLU 12 -13.162 9.651 -1.295 93 2HG GLU 12 2HG GLU 12 -12.795 8.273 -2.336 94 H TYR 13 H TYR 13 -9.630 6.957 -1.031 95 HA TYR 13 HA TYR 13 -9.511 7.264 -3.729 96 1HB TYR 13 1HB TYR 13 -7.651 7.351 -1.892 97 2HB TYR 13 2HB TYR 13 -7.364 5.679 -2.358 98 HD1 TYR 13 1HD TYR 13 -6.406 8.981 -2.945 99 HD2 TYR 13 2HD TYR 13 -7.150 5.334 -5.006 100 HE1 TYR 13 1HE TYR 13 -4.983 9.744 -4.798 101 HE2 TYR 13 2HE TYR 13 -5.735 6.090 -6.869 102 HH TYR 13 HH TYR 13 -4.923 8.202 -7.822 103 H LEU 14 H LEU 14 -9.534 4.201 -1.957 104 HA LEU 14 HA LEU 14 -10.281 2.841 -4.427 105 1HB LEU 14 1HB LEU 14 -7.979 1.967 -2.682 106 2HB LEU 14 2HB LEU 14 -8.671 1.010 -3.978 107 HG LEU 14 HG LEU 14 -7.546 3.739 -4.511 108 1HD1 LEU 14 1HD1 LEU 14 -5.818 2.397 -3.371 109 2HD1 LEU 14 2HD1 LEU 14 -5.419 2.742 -5.053 110 3HD1 LEU 14 3HD1 LEU 14 -6.017 1.147 -4.599 111 1HD2 LEU 14 1HD2 LEU 14 -7.906 1.285 -6.224 112 2HD2 LEU 14 2HD2 LEU 14 -7.275 2.842 -6.759 113 3HD2 LEU 14 3HD2 LEU 14 -8.951 2.706 -6.227 114 H MET 15 H MET 15 -12.239 3.181 -2.849 115 HA MET 15 HA MET 15 -12.377 1.208 -0.746 116 1HB MET 15 1HB MET 15 -13.505 3.268 -0.313 117 2HB MET 15 2HB MET 15 -14.372 3.185 -1.840 118 1HG MET 15 1HG MET 15 -15.622 1.270 -1.047 119 2HG MET 15 2HG MET 15 -14.738 1.302 0.476 120 1HE MET 15 1HE MET 15 -17.729 4.535 -0.904 121 2HE MET 15 2HE MET 15 -17.407 3.039 -1.781 122 3HE MET 15 3HE MET 15 -16.168 4.289 -1.686 123 HA PRO 16 HA PRO 16 -15.434 -0.853 -3.801 124 1HB PRO 16 1HB PRO 16 -15.712 0.090 -6.302 125 2HB PRO 16 2HB PRO 16 -16.620 0.772 -4.947 126 1HG PRO 16 1HG PRO 16 -14.145 1.799 -6.279 127 2HG PRO 16 2HG PRO 16 -15.580 2.693 -5.742 128 1HD PRO 16 1HD PRO 16 -13.249 2.573 -4.315 129 2HD PRO 16 2HD PRO 16 -14.842 2.812 -3.576 130 H ASP 17 H ASP 17 -12.469 0.471 -5.112 131 HA ASP 17 HA ASP 17 -11.965 -1.641 -6.962 132 1HB ASP 17 1HB ASP 17 -10.079 0.381 -5.732 133 2HB ASP 17 2HB ASP 17 -9.679 -0.688 -7.072 134 H ILE 18 H ILE 18 -11.854 -1.455 -3.613 135 HA ILE 18 HA ILE 18 -9.645 -3.235 -3.165 136 HB ILE 18 HB ILE 18 -11.678 -1.891 -1.477 137 1HG1 ILE 18 1HG1 ILE 18 -8.739 -2.477 -1.060 138 2HG1 ILE 18 2HG1 ILE 18 -9.369 -1.038 -1.853 139 1HG2 ILE 18 1HG2 ILE 18 -12.057 -4.145 -0.734 140 2HG2 ILE 18 2HG2 ILE 18 -11.102 -3.306 0.488 141 3HG2 ILE 18 3HG2 ILE 18 -10.323 -4.444 -0.613 142 1HD1 ILE 18 1HD1 ILE 18 -9.888 -1.839 1.002 143 2HD1 ILE 18 2HD1 ILE 18 -10.481 -0.379 0.208 144 3HD1 ILE 18 3HD1 ILE 18 -8.750 -0.604 0.463 145 H MET 19 H MET 19 -13.155 -3.556 -3.381 146 HA MET 19 HA MET 19 -13.554 -6.093 -2.421 147 1HB MET 19 1HB MET 19 -14.917 -5.039 -4.898 148 2HB MET 19 2HB MET 19 -15.548 -6.203 -3.742 149 1HG MET 19 1HG MET 19 -15.029 -3.280 -3.255 150 2HG MET 19 2HG MET 19 -16.598 -4.068 -3.412 151 1HE MET 19 1HE MET 19 -17.394 -2.942 -1.167 152 2HE MET 19 2HE MET 19 -15.829 -2.157 -0.954 153 3HE MET 19 3HE MET 19 -16.539 -3.082 0.369 154 HA PRO 20 HA PRO 20 -12.619 -7.841 -6.990 155 1HB PRO 20 1HB PRO 20 -10.387 -5.918 -7.486 156 2HB PRO 20 2HB PRO 20 -11.483 -6.689 -8.637 157 1HG PRO 20 1HG PRO 20 -11.819 -4.145 -7.949 158 2HG PRO 20 2HG PRO 20 -13.215 -5.215 -8.178 159 1HD PRO 20 1HD PRO 20 -12.002 -4.196 -5.658 160 2HD PRO 20 2HD PRO 20 -13.697 -4.548 -6.034 161 H CYS 21 H CYS 21 -9.902 -6.241 -5.317 162 HA CYS 21 HA CYS 21 -8.054 -8.306 -5.612 163 1HB CYS 21 1HB CYS 21 -8.270 -6.227 -3.429 164 2HB CYS 21 2HB CYS 21 -6.858 -7.243 -3.708 165 H ALA 22 H ALA 22 -10.372 -7.702 -2.994 166 HA ALA 22 HA ALA 22 -9.524 -9.746 -1.273 167 1HB ALA 22 1HB ALA 22 -11.092 -7.932 -0.653 168 2HB ALA 22 2HB ALA 22 -11.675 -9.534 -0.201 169 3HB ALA 22 3HB ALA 22 -12.340 -8.719 -1.618 170 H ASP 23 H ASP 23 -11.905 -9.772 -3.898 171 HA ASP 23 HA ASP 23 -12.617 -12.515 -3.512 172 1HB ASP 23 1HB ASP 23 -13.074 -10.625 -5.829 173 2HB ASP 23 2HB ASP 23 -13.738 -12.253 -5.742 174 H GLU 24 H GLU 24 -9.997 -10.922 -4.941 175 HA GLU 24 HA GLU 24 -9.357 -12.588 -7.089 176 1HB GLU 24 1HB GLU 24 -8.296 -10.375 -6.499 177 2HB GLU 24 2HB GLU 24 -7.353 -11.235 -5.293 178 1HG GLU 24 1HG GLU 24 -6.034 -10.947 -7.271 179 2HG GLU 24 2HG GLU 24 -6.420 -12.656 -7.071 180 H LEU 25 H LEU 25 -8.115 -12.747 -3.721 181 HA LEU 25 HA LEU 25 -7.124 -15.450 -4.339 182 1HB LEU 25 1HB LEU 25 -6.620 -13.773 -1.878 183 2HB LEU 25 2HB LEU 25 -5.760 -15.227 -2.363 184 HG LEU 25 HG LEU 25 -5.715 -12.794 -4.119 185 1HD1 LEU 25 1HD1 LEU 25 -3.881 -11.875 -2.989 186 2HD1 LEU 25 2HD1 LEU 25 -3.662 -13.314 -1.995 187 3HD1 LEU 25 3HD1 LEU 25 -5.042 -12.254 -1.718 188 1HD2 LEU 25 1HD2 LEU 25 -4.879 -14.889 -5.035 189 2HD2 LEU 25 2HD2 LEU 25 -3.789 -15.065 -3.658 190 3HD2 LEU 25 3HD2 LEU 25 -3.563 -13.737 -4.796 191 H HIS 26 H HIS 26 -9.110 -13.702 -1.980 192 HA HIS 26 HA HIS 26 -10.981 -15.716 -1.607 193 1HB HIS 26 1HB HIS 26 -8.965 -16.882 -0.571 194 2HB HIS 26 2HB HIS 26 -9.040 -15.674 0.709 195 HD1 HIS 26 1HD HIS 26 -10.502 -18.851 -0.385 196 HD2 HIS 26 2HD HIS 26 -11.469 -15.813 2.281 197 HE1 HIS 26 1HE HIS 26 -12.268 -19.817 1.122 198 HE2 HIS 26 2HE HIS 26 -12.814 -17.972 2.750 199 H ILE 27 H ILE 27 -9.168 -13.763 0.685 200 HA ILE 27 HA ILE 27 -11.496 -12.025 1.147 201 HB ILE 27 HB ILE 27 -10.516 -12.032 3.608 202 1HG1 ILE 27 1HG1 ILE 27 -10.010 -14.908 2.972 203 2HG1 ILE 27 2HG1 ILE 27 -8.736 -13.741 2.620 204 1HG2 ILE 27 1HG2 ILE 27 -12.795 -12.620 3.083 205 2HG2 ILE 27 2HG2 ILE 27 -12.130 -13.816 4.196 206 3HG2 ILE 27 3HG2 ILE 27 -12.289 -14.198 2.482 207 1HD1 ILE 27 1HD1 ILE 27 -10.025 -14.236 5.300 208 2HD1 ILE 27 2HD1 ILE 27 -8.780 -13.030 4.970 209 3HD1 ILE 27 3HD1 ILE 27 -8.413 -14.747 4.798 210 H SER 28 H SER 28 -10.862 -9.965 2.238 211 HA SER 28 HA SER 28 -8.384 -8.982 1.116 212 1HB SER 28 1HB SER 28 -9.152 -6.780 1.789 213 2HB SER 28 2HB SER 28 -10.471 -7.632 0.991 214 HG SER 28 HG SER 28 -11.549 -7.202 2.736 215 H GLU 29 H GLU 29 -6.687 -8.050 2.308 216 HA GLU 29 HA GLU 29 -5.902 -9.395 4.601 217 1HB GLU 29 1HB GLU 29 -4.246 -7.498 4.879 218 2HB GLU 29 2HB GLU 29 -4.218 -8.332 3.334 219 1HG GLU 29 1HG GLU 29 -4.010 -6.047 2.851 220 2HG GLU 29 2HG GLU 29 -5.669 -6.478 2.438 221 H ASP 30 H ASP 30 -8.031 -6.709 4.278 222 HA ASP 30 HA ASP 30 -7.770 -5.698 6.931 223 1HB ASP 30 1HB ASP 30 -8.691 -4.333 5.102 224 2HB ASP 30 2HB ASP 30 -10.063 -5.430 4.973 225 H ILE 31 H ILE 31 -10.224 -7.738 5.350 226 HA ILE 31 HA ILE 31 -11.493 -8.366 7.861 227 HB ILE 31 HB ILE 31 -11.905 -9.690 5.173 228 1HG1 ILE 31 1HG1 ILE 31 -13.455 -7.392 6.388 229 2HG1 ILE 31 2HG1 ILE 31 -12.238 -7.210 5.128 230 1HG2 ILE 31 1HG2 ILE 31 -12.804 -10.999 6.987 231 2HG2 ILE 31 2HG2 ILE 31 -14.132 -10.244 6.106 232 3HG2 ILE 31 3HG2 ILE 31 -13.613 -9.584 7.656 233 1HD1 ILE 31 1HD1 ILE 31 -14.787 -8.791 4.877 234 2HD1 ILE 31 2HD1 ILE 31 -13.582 -8.543 3.613 235 3HD1 ILE 31 3HD1 ILE 31 -14.506 -7.174 4.231 236 H ALA 32 H ALA 32 -8.742 -9.398 6.299 237 HA ALA 32 HA ALA 32 -8.815 -12.187 6.864 238 1HB ALA 32 1HB ALA 32 -6.439 -10.408 6.332 239 2HB ALA 32 2HB ALA 32 -7.395 -11.244 5.107 240 3HB ALA 32 3HB ALA 32 -6.453 -12.171 6.276 241 H THR 33 H THR 33 -8.926 -9.784 8.993 242 HA THR 33 HA THR 33 -6.843 -10.206 10.810 243 HB THR 33 HB THR 33 -8.480 -9.318 12.536 244 HG1 THR 33 1HG THR 33 -10.312 -10.113 11.061 245 1HG2 THR 33 1HG2 THR 33 -8.555 -7.062 11.515 246 2HG2 THR 33 2HG2 THR 33 -8.056 -7.771 9.979 247 3HG2 THR 33 3HG2 THR 33 -6.973 -7.829 11.369 248 H ASN 34 H ASN 34 -9.260 -12.346 9.903 249 HA ASN 34 HA ASN 34 -9.732 -13.641 12.398 250 1HB ASN 34 1HB ASN 34 -10.710 -15.444 11.020 251 2HB ASN 34 2HB ASN 34 -11.320 -13.857 10.560 252 1HD2 ASN 34 1HD2 ASN 34 -10.580 -12.912 8.625 253 2HD2 ASN 34 2HD2 ASN 34 -9.918 -13.879 7.356 254 H ILE 35 H ILE 35 -6.943 -13.352 10.773 255 HA ILE 35 HA ILE 35 -6.005 -16.038 11.547 256 HB ILE 35 HB ILE 35 -4.946 -14.258 9.348 257 1HG1 ILE 35 1HG1 ILE 35 -6.259 -16.978 9.172 258 2HG1 ILE 35 2HG1 ILE 35 -7.102 -15.457 8.892 259 1HG2 ILE 35 1HG2 ILE 35 -3.129 -15.447 10.418 260 2HG2 ILE 35 2HG2 ILE 35 -3.447 -16.146 8.831 261 3HG2 ILE 35 3HG2 ILE 35 -4.012 -16.969 10.285 262 1HD1 ILE 35 1HD1 ILE 35 -6.435 -16.563 6.813 263 2HD1 ILE 35 2HD1 ILE 35 -4.747 -16.451 7.307 264 3HD1 ILE 35 3HD1 ILE 35 -5.674 -14.984 7.001 265 H GLN 36 H GLN 36 -5.052 -12.623 11.245 266 HA GLN 36 HA GLN 36 -3.572 -11.337 12.403 267 1HB GLN 36 1HB GLN 36 -3.844 -13.466 14.535 268 2HB GLN 36 2HB GLN 36 -3.210 -11.843 14.761 269 1HG GLN 36 1HG GLN 36 -6.003 -12.332 13.793 270 2HG GLN 36 2HG GLN 36 -5.599 -12.294 15.507 271 1HE2 GLN 36 1HE2 GLN 36 -7.330 -10.526 13.976 272 2HE2 GLN 36 2HE2 GLN 36 -6.689 -8.933 14.170 273 H ALA 37 H ALA 37 -1.706 -11.442 11.242 274 HA ALA 37 HA ALA 37 0.005 -13.777 11.417 275 1HB ALA 37 1HB ALA 37 0.357 -11.186 9.920 276 2HB ALA 37 2HB ALA 37 -0.232 -12.713 9.263 277 3HB ALA 37 3HB ALA 37 1.438 -12.574 9.815 278 H ALA 38 H ALA 38 0.949 -10.348 11.594 279 HA ALA 38 HA ALA 38 1.768 -10.171 14.209 280 1HB ALA 38 1HB ALA 38 3.235 -12.039 13.940 281 2HB ALA 38 2HB ALA 38 4.225 -10.586 14.051 282 3HB ALA 38 3HB ALA 38 3.943 -11.341 12.484 283 H LYS 39 H LYS 39 2.374 -9.327 10.865 284 HA LYS 39 HA LYS 39 4.103 -7.160 11.253 285 1HB LYS 39 1HB LYS 39 3.080 -8.331 9.071 286 2HB LYS 39 2HB LYS 39 2.066 -6.896 9.122 287 1HG LYS 39 1HG LYS 39 5.079 -6.916 9.086 288 2HG LYS 39 2HG LYS 39 4.032 -6.572 7.709 289 1HD LYS 39 1HD LYS 39 3.379 -4.521 8.551 290 2HD LYS 39 2HD LYS 39 3.736 -4.973 10.216 291 1HE LYS 39 1HE LYS 39 6.133 -4.912 9.709 292 2HE LYS 39 2HE LYS 39 5.763 -4.428 8.056 293 1HZ LYS 39 1HZ LYS 39 5.072 -2.885 10.497 294 2HZ LYS 39 2HZ LYS 39 4.741 -2.415 8.906 295 3HZ LYS 39 3HZ LYS 39 6.343 -2.530 9.437 296 H ASN 40 H ASN 40 0.592 -6.966 10.625 297 HA ASN 40 HA ASN 40 0.502 -4.632 12.414 298 1HB ASN 40 1HB ASN 40 -1.147 -3.584 10.925 299 2HB ASN 40 2HB ASN 40 0.381 -3.857 10.092 300 1HD2 ASN 40 1HD2 ASN 40 0.513 -5.581 8.583 301 2HD2 ASN 40 2HD2 ASN 40 -0.908 -6.191 7.813 302 H GLY 41 H GLY 41 -0.539 -7.711 11.900 303 1HA GLY 41 1HA GLY 41 -1.977 -8.761 13.512 304 2HA GLY 41 2HA GLY 41 -2.916 -7.276 13.580 305 H ALA 42 H ALA 42 -2.349 -7.499 10.444 306 HA ALA 42 HA ALA 42 -4.940 -8.674 9.894 307 1HB ALA 42 1HB ALA 42 -4.438 -6.630 8.760 308 2HB ALA 42 2HB ALA 42 -4.475 -7.923 7.559 309 3HB ALA 42 3HB ALA 42 -2.930 -7.292 8.126 310 H ASP 43 H ASP 43 -1.985 -9.011 7.965 311 HA ASP 43 HA ASP 43 -1.451 -11.697 8.366 312 1HB ASP 43 1HB ASP 43 -3.770 -12.040 7.505 313 2HB ASP 43 2HB ASP 43 -3.276 -11.300 5.986 314 H MET 44 H MET 44 0.584 -10.646 8.105 315 HA MET 44 HA MET 44 1.519 -9.225 5.930 316 1HB MET 44 1HB MET 44 2.739 -9.632 8.059 317 2HB MET 44 2HB MET 44 3.079 -11.268 7.519 318 1HG MET 44 1HG MET 44 4.263 -10.306 5.551 319 2HG MET 44 2HG MET 44 4.031 -8.709 6.266 320 1HE MET 44 1HE MET 44 4.802 -12.110 8.127 321 2HE MET 44 2HE MET 44 6.564 -12.062 8.176 322 3HE MET 44 3HE MET 44 5.727 -12.209 6.631 323 H SER 45 H SER 45 1.274 -12.732 6.325 324 HA SER 45 HA SER 45 2.734 -13.603 4.153 325 1HB SER 45 1HB SER 45 0.163 -14.761 5.251 326 2HB SER 45 2HB SER 45 1.265 -15.604 4.163 327 HG SER 45 HG SER 45 2.851 -15.509 5.756 328 H GLN 46 H GLN 46 -0.785 -12.969 4.178 329 HA GLN 46 HA GLN 46 -0.851 -13.082 1.289 330 1HB GLN 46 1HB GLN 46 -2.902 -12.869 3.440 331 2HB GLN 46 2HB GLN 46 -3.329 -12.389 1.800 332 1HG GLN 46 1HG GLN 46 -2.222 -15.070 2.600 333 2HG GLN 46 2HG GLN 46 -3.913 -14.713 2.274 334 1HE2 GLN 46 1HE2 GLN 46 -0.745 -15.086 0.884 335 2HE2 GLN 46 2HE2 GLN 46 -1.257 -15.221 -0.759 336 H LEU 47 H LEU 47 -0.269 -10.707 3.610 337 HA LEU 47 HA LEU 47 -1.496 -8.465 2.435 338 1HB LEU 47 1HB LEU 47 -0.428 -8.633 4.739 339 2HB LEU 47 2HB LEU 47 1.116 -8.440 3.937 340 HG LEU 47 HG LEU 47 0.212 -6.252 3.010 341 1HD1 LEU 47 1HD1 LEU 47 -1.621 -5.236 4.275 342 2HD1 LEU 47 2HD1 LEU 47 -1.856 -6.754 5.141 343 3HD1 LEU 47 3HD1 LEU 47 -2.145 -6.679 3.405 344 1HD2 LEU 47 1HD2 LEU 47 0.523 -6.511 5.998 345 2HD2 LEU 47 2HD2 LEU 47 0.725 -5.036 5.053 346 3HD2 LEU 47 3HD2 LEU 47 1.843 -6.382 4.837 347 H GLY 48 H GLY 48 1.637 -10.007 1.915 348 1HA GLY 48 1HA GLY 48 2.592 -8.042 0.099 349 2HA GLY 48 2HA GLY 48 3.223 -9.668 0.283 350 H CYS 49 H CYS 49 -0.040 -9.865 -0.272 351 HA CYS 49 HA CYS 49 0.274 -9.985 -3.187 352 1HB CYS 49 1HB CYS 49 -0.626 -12.097 -1.308 353 2HB CYS 49 2HB CYS 49 -1.465 -11.966 -2.846 354 H LEU 50 H LEU 50 -2.350 -10.708 -0.922 355 HA LEU 50 HA LEU 50 -4.447 -9.676 -2.334 356 1HB LEU 50 1HB LEU 50 -4.417 -10.917 -0.086 357 2HB LEU 50 2HB LEU 50 -4.201 -9.347 0.648 358 HG LEU 50 HG LEU 50 -6.533 -10.049 0.746 359 1HD1 LEU 50 1HD1 LEU 50 -5.994 -7.646 0.526 360 2HD1 LEU 50 2HD1 LEU 50 -7.572 -8.070 -0.137 361 3HD1 LEU 50 3HD1 LEU 50 -6.208 -7.788 -1.218 362 1HD2 LEU 50 1HD2 LEU 50 -6.379 -10.096 -2.263 363 2HD2 LEU 50 2HD2 LEU 50 -7.856 -10.249 -1.313 364 3HD2 LEU 50 3HD2 LEU 50 -6.604 -11.484 -1.199 365 H LYS 51 H LYS 51 -2.535 -7.966 0.129 366 HA LYS 51 HA LYS 51 -3.695 -5.433 -0.468 367 1HB LYS 51 1HB LYS 51 -2.873 -5.497 1.692 368 2HB LYS 51 2HB LYS 51 -1.445 -6.407 1.241 369 1HG LYS 51 1HG LYS 51 -0.765 -4.227 1.912 370 2HG LYS 51 2HG LYS 51 -0.548 -4.349 0.168 371 1HD LYS 51 1HD LYS 51 -2.733 -3.203 -0.128 372 2HD LYS 51 2HD LYS 51 -2.809 -2.985 1.623 373 1HE LYS 51 1HE LYS 51 -1.967 -0.986 0.450 374 2HE LYS 51 2HE LYS 51 -0.796 -1.654 1.586 375 1HZ LYS 51 1HZ LYS 51 0.321 -2.731 -0.279 376 2HZ LYS 51 2HZ LYS 51 0.264 -1.054 -0.489 377 3HZ LYS 51 3HZ LYS 51 -0.790 -2.052 -1.359 378 H ALA 52 H ALA 52 -1.112 -7.335 -1.790 379 HA ALA 52 HA ALA 52 0.328 -5.156 -2.984 380 1HB ALA 52 1HB ALA 52 0.312 -8.078 -3.756 381 2HB ALA 52 2HB ALA 52 1.375 -7.341 -2.558 382 3HB ALA 52 3HB ALA 52 1.499 -6.871 -4.254 383 H CYS 53 H CYS 53 -2.573 -6.803 -3.683 384 HA CYS 53 HA CYS 53 -2.647 -6.483 -6.497 385 1HB CYS 53 1HB CYS 53 -4.158 -8.059 -5.584 386 2HB CYS 53 2HB CYS 53 -4.772 -6.909 -4.402 387 H VAL 54 H VAL 54 -3.579 -4.477 -3.775 388 HA VAL 54 HA VAL 54 -5.019 -2.493 -5.127 389 HB VAL 54 HB VAL 54 -3.249 -2.180 -2.692 390 1HG1 VAL 54 1HG1 VAL 54 -5.513 -0.453 -3.687 391 2HG1 VAL 54 2HG1 VAL 54 -3.800 -0.036 -3.718 392 3HG1 VAL 54 3HG1 VAL 54 -4.631 -0.235 -2.176 393 1HG2 VAL 54 1HG2 VAL 54 -6.197 -2.788 -2.904 394 2HG2 VAL 54 2HG2 VAL 54 -5.312 -2.491 -1.407 395 3HG2 VAL 54 3HG2 VAL 54 -4.939 -3.909 -2.385 396 H MET 55 H MET 55 -1.627 -3.156 -4.903 397 HA MET 55 HA MET 55 -0.618 -0.638 -5.686 398 1HB MET 55 1HB MET 55 0.588 -3.370 -6.154 399 2HB MET 55 2HB MET 55 1.446 -1.840 -6.198 400 1HG MET 55 1HG MET 55 0.962 -1.510 -3.820 401 2HG MET 55 2HG MET 55 0.140 -3.070 -3.784 402 1HE MET 55 1HE MET 55 1.709 -3.829 -1.749 403 2HE MET 55 2HE MET 55 2.515 -2.259 -1.805 404 3HE MET 55 3HE MET 55 3.471 -3.742 -1.801 405 H LYS 56 H LYS 56 -1.253 -3.603 -7.549 406 HA LYS 56 HA LYS 56 -0.584 -2.501 -10.065 407 1HB LYS 56 1HB LYS 56 -2.566 -4.727 -9.831 408 2HB LYS 56 2HB LYS 56 -1.247 -4.522 -10.977 409 1HG LYS 56 1HG LYS 56 0.363 -5.022 -9.197 410 2HG LYS 56 2HG LYS 56 -0.974 -5.270 -8.072 411 1HD LYS 56 1HD LYS 56 -1.825 -7.063 -9.558 412 2HD LYS 56 2HD LYS 56 -0.395 -6.857 -10.570 413 1HE LYS 56 1HE LYS 56 1.016 -7.386 -8.607 414 2HE LYS 56 2HE LYS 56 -0.449 -7.687 -7.673 415 1HZ LYS 56 1HZ LYS 56 0.398 -9.173 -10.101 416 2HZ LYS 56 2HZ LYS 56 -1.024 -9.452 -9.228 417 3HZ LYS 56 3HZ LYS 56 0.479 -9.743 -8.508 418 H ARG 57 H ARG 57 -3.310 -2.085 -8.075 419 HA ARG 57 HA ARG 57 -5.290 -1.678 -10.071 420 1HB ARG 57 1HB ARG 57 -5.778 -2.155 -7.676 421 2HB ARG 57 2HB ARG 57 -5.196 -0.548 -7.269 422 1HG ARG 57 1HG ARG 57 -7.555 -0.436 -7.321 423 2HG ARG 57 2HG ARG 57 -6.978 0.374 -8.778 424 1HD ARG 57 1HD ARG 57 -7.774 -2.523 -8.780 425 2HD ARG 57 2HD ARG 57 -8.958 -1.237 -9.009 426 HE ARG 57 HE ARG 57 -6.729 -0.987 -10.778 427 1HH1 ARG 57 1HH1 ARG 57 -9.756 -2.645 -10.279 428 2HH1 ARG 57 2HH1 ARG 57 -10.011 -2.954 -11.964 429 1HH2 ARG 57 1HH2 ARG 57 -7.059 -1.393 -12.997 430 2HH2 ARG 57 2HH2 ARG 57 -8.478 -2.244 -13.509 431 H ILE 58 H ILE 58 -3.180 0.544 -8.267 432 HA ILE 58 HA ILE 58 -4.134 2.797 -9.850 433 HB ILE 58 HB ILE 58 -2.618 4.152 -8.418 434 1HG1 ILE 58 1HG1 ILE 58 -2.204 1.558 -6.913 435 2HG1 ILE 58 2HG1 ILE 58 -0.998 2.306 -7.956 436 1HG2 ILE 58 1HG2 ILE 58 -3.960 3.929 -6.376 437 2HG2 ILE 58 2HG2 ILE 58 -4.574 2.381 -6.959 438 3HG2 ILE 58 3HG2 ILE 58 -4.957 3.865 -7.830 439 1HD1 ILE 58 1HD1 ILE 58 -0.951 4.261 -6.493 440 2HD1 ILE 58 2HD1 ILE 58 -0.558 2.780 -5.620 441 3HD1 ILE 58 3HD1 ILE 58 -2.156 3.505 -5.451 442 H GLU 59 H GLU 59 -2.574 0.643 -11.109 443 HA GLU 59 HA GLU 59 -0.863 0.358 -12.587 444 1HB GLU 59 1HB GLU 59 -1.042 3.374 -12.684 445 2HB GLU 59 2HB GLU 59 -0.143 2.390 -13.829 446 1HG GLU 59 1HG GLU 59 -3.113 2.234 -13.368 447 2HG GLU 59 2HG GLU 59 -2.328 3.095 -14.691 448 H MET 60 H MET 60 -0.222 0.641 -9.752 449 HA MET 60 HA MET 60 2.387 1.948 -9.766 450 1HB MET 60 1HB MET 60 0.930 2.377 -7.859 451 2HB MET 60 2HB MET 60 0.817 0.654 -7.531 452 1HG MET 60 1HG MET 60 3.299 0.663 -7.170 453 2HG MET 60 2HG MET 60 3.226 2.423 -7.257 454 1HE MET 60 1HE MET 60 3.753 1.435 -3.435 455 2HE MET 60 2HE MET 60 4.470 2.275 -4.811 456 3HE MET 60 3HE MET 60 4.313 0.518 -4.835 457 H LEU 61 H LEU 61 1.018 -1.155 -10.130 458 HA LEU 61 HA LEU 61 3.688 -2.324 -10.151 459 1HB LEU 61 1HB LEU 61 2.832 -2.774 -7.907 460 2HB LEU 61 2HB LEU 61 1.382 -3.482 -8.588 461 HG LEU 61 HG LEU 61 2.781 -5.267 -9.610 462 1HD1 LEU 61 1HD1 LEU 61 4.891 -4.111 -9.764 463 2HD1 LEU 61 2HD1 LEU 61 5.081 -5.552 -8.764 464 3HD1 LEU 61 3HD1 LEU 61 4.975 -3.962 -8.008 465 1HD2 LEU 61 1HD2 LEU 61 1.643 -5.633 -7.488 466 2HD2 LEU 61 2HD2 LEU 61 3.022 -4.961 -6.619 467 3HD2 LEU 61 3HD2 LEU 61 3.196 -6.468 -7.519 468 H LYS 62 H LYS 62 3.732 -2.779 -12.284 469 HA LYS 62 HA LYS 62 1.426 -3.921 -13.608 470 1HB LYS 62 1HB LYS 62 4.197 -3.173 -14.529 471 2HB LYS 62 2HB LYS 62 3.059 -4.009 -15.576 472 1HG LYS 62 1HG LYS 62 2.083 -1.553 -14.253 473 2HG LYS 62 2HG LYS 62 3.304 -1.353 -15.512 474 1HD LYS 62 1HD LYS 62 1.198 -1.201 -16.590 475 2HD LYS 62 2HD LYS 62 1.847 -2.792 -16.986 476 1HE LYS 62 1HE LYS 62 0.459 -3.784 -15.221 477 2HE LYS 62 2HE LYS 62 -0.199 -2.191 -14.850 478 1HZ LYS 62 1HZ LYS 62 -1.698 -3.433 -16.260 479 2HZ LYS 62 2HZ LYS 62 -0.491 -3.636 -17.428 480 3HZ LYS 62 3HZ LYS 62 -1.098 -2.092 -17.100 481 H GLY 63 H GLY 63 1.337 -5.821 -12.230 482 1HA GLY 63 1HA GLY 63 1.521 -8.127 -12.144 483 2HA GLY 63 2HA GLY 63 2.713 -8.044 -13.434 484 H THR 64 H THR 64 4.746 -6.693 -12.541 485 HA THR 64 HA THR 64 5.481 -7.429 -9.849 486 HB THR 64 HB THR 64 7.588 -8.581 -10.624 487 HG1 THR 64 1HG THR 64 7.584 -9.394 -12.743 488 1HG2 THR 64 1HG2 THR 64 6.520 -10.756 -10.993 489 2HG2 THR 64 2HG2 THR 64 4.981 -9.950 -11.300 490 3HG2 THR 64 3HG2 THR 64 5.721 -9.861 -9.702 491 H GLU 65 H GLU 65 5.377 -5.185 -12.093 492 HA GLU 65 HA GLU 65 8.093 -4.156 -11.819 493 1HB GLU 65 1HB GLU 65 5.760 -3.012 -13.352 494 2HB GLU 65 2HB GLU 65 7.438 -2.506 -13.469 495 1HG GLU 65 1HG GLU 65 6.309 -5.169 -14.299 496 2HG GLU 65 2HG GLU 65 6.843 -3.871 -15.364 497 H LEU 66 H LEU 66 8.463 -3.127 -9.958 498 HA LEU 66 HA LEU 66 6.496 -1.805 -8.413 499 1HB LEU 66 1HB LEU 66 9.506 -1.721 -8.373 500 2HB LEU 66 2HB LEU 66 8.530 -0.811 -7.243 501 HG LEU 66 HG LEU 66 7.544 -2.951 -6.444 502 1HD1 LEU 66 1HD1 LEU 66 7.836 -4.390 -8.311 503 2HD1 LEU 66 2HD1 LEU 66 8.822 -5.027 -6.994 504 3HD1 LEU 66 3HD1 LEU 66 9.582 -4.134 -8.310 505 1HD2 LEU 66 1HD2 LEU 66 9.533 -3.659 -5.197 506 2HD2 LEU 66 2HD2 LEU 66 9.359 -1.905 -5.236 507 3HD2 LEU 66 3HD2 LEU 66 10.539 -2.700 -6.280 508 H TYR 67 H TYR 67 5.883 0.292 -8.285 509 HA TYR 67 HA TYR 67 7.314 2.303 -9.864 510 1HB TYR 67 1HB TYR 67 4.375 1.661 -10.096 511 2HB TYR 67 2HB TYR 67 5.035 3.217 -10.580 512 HD1 TYR 67 1HD TYR 67 4.349 -0.116 -11.605 513 HD2 TYR 67 2HD TYR 67 6.943 3.181 -12.321 514 HE1 TYR 67 1HE TYR 67 4.912 -1.044 -13.811 515 HE2 TYR 67 2HE TYR 67 7.514 2.260 -14.528 516 HH TYR 67 HH TYR 67 7.518 0.068 -15.664 517 H VAL 68 H VAL 68 6.719 4.534 -9.252 518 HA VAL 68 HA VAL 68 5.496 4.741 -6.595 519 HB VAL 68 HB VAL 68 7.762 6.538 -6.844 520 1HG1 VAL 68 1HG1 VAL 68 8.249 5.653 -4.594 521 2HG1 VAL 68 2HG1 VAL 68 6.967 4.461 -4.809 522 3HG1 VAL 68 3HG1 VAL 68 6.575 6.180 -4.769 523 1HG2 VAL 68 1HG2 VAL 68 8.754 4.708 -8.110 524 2HG2 VAL 68 2HG2 VAL 68 8.354 3.579 -6.815 525 3HG2 VAL 68 3HG2 VAL 68 9.526 4.867 -6.532 526 H GLU 69 H GLU 69 5.863 5.908 -9.725 527 HA GLU 69 HA GLU 69 5.527 8.659 -9.455 528 1HB GLU 69 1HB GLU 69 4.396 6.882 -11.626 529 2HB GLU 69 2HB GLU 69 4.605 8.624 -11.729 530 1HG GLU 69 1HG GLU 69 7.021 8.350 -11.535 531 2HG GLU 69 2HG GLU 69 6.814 6.602 -11.426 532 HA PRO 70 HA PRO 70 0.735 7.981 -9.488 533 1HB PRO 70 1HB PRO 70 -0.190 5.536 -8.755 534 2HB PRO 70 2HB PRO 70 0.133 5.974 -10.436 535 1HG PRO 70 1HG PRO 70 1.826 4.411 -8.526 536 2HG PRO 70 2HG PRO 70 1.490 4.099 -10.240 537 1HD PRO 70 1HD PRO 70 3.788 5.246 -9.387 538 2HD PRO 70 2HD PRO 70 3.051 5.634 -10.954 539 H VAL 71 H VAL 71 2.958 6.706 -7.225 540 HA VAL 71 HA VAL 71 1.200 6.743 -4.948 541 HB VAL 71 HB VAL 71 4.219 6.694 -4.956 542 1HG1 VAL 71 1HG1 VAL 71 3.303 7.229 -2.796 543 2HG1 VAL 71 2HG1 VAL 71 3.916 5.575 -2.770 544 3HG1 VAL 71 3HG1 VAL 71 2.181 5.873 -2.894 545 1HG2 VAL 71 1HG2 VAL 71 2.287 4.380 -5.019 546 2HG2 VAL 71 2HG2 VAL 71 4.033 4.256 -4.821 547 3HG2 VAL 71 3HG2 VAL 71 3.359 4.873 -6.328 548 H TYR 72 H TYR 72 3.845 8.810 -6.135 549 HA TYR 72 HA TYR 72 3.696 10.697 -4.045 550 1HB TYR 72 1HB TYR 72 4.540 11.248 -6.894 551 2HB TYR 72 2HB TYR 72 5.007 12.144 -5.458 552 HD1 TYR 72 1HD TYR 72 6.555 10.428 -7.754 553 HD2 TYR 72 2HD TYR 72 5.712 9.956 -3.612 554 HE1 TYR 72 1HE TYR 72 8.537 8.994 -7.519 555 HE2 TYR 72 2HE TYR 72 7.694 8.523 -3.364 556 HH TYR 72 HH TYR 72 9.127 7.106 -4.754 557 H LYS 73 H LYS 73 1.802 10.200 -6.904 558 HA LYS 73 HA LYS 73 0.635 12.813 -6.973 559 1HB LYS 73 1HB LYS 73 -0.107 10.228 -8.338 560 2HB LYS 73 2HB LYS 73 -0.946 11.750 -8.610 561 1HG LYS 73 1HG LYS 73 2.003 11.364 -9.063 562 2HG LYS 73 2HG LYS 73 0.777 11.180 -10.319 563 1HD LYS 73 1HD LYS 73 0.488 13.402 -10.532 564 2HD LYS 73 2HD LYS 73 0.593 13.679 -8.792 565 1HE LYS 73 1HE LYS 73 2.427 14.736 -10.099 566 2HE LYS 73 2HE LYS 73 2.985 13.612 -8.861 567 1HZ LYS 73 1HZ LYS 73 4.176 13.322 -10.947 568 2HZ LYS 73 2HZ LYS 73 2.727 12.997 -11.756 569 3HZ LYS 73 3HZ LYS 73 3.286 11.934 -10.567 570 H MET 74 H MET 74 -0.188 9.781 -5.412 571 HA MET 74 HA MET 74 -2.863 10.702 -4.797 572 1HB MET 74 1HB MET 74 -3.042 8.552 -3.537 573 2HB MET 74 2HB MET 74 -2.675 8.361 -5.244 574 1HG MET 74 1HG MET 74 -0.304 8.058 -4.654 575 2HG MET 74 2HG MET 74 -0.749 8.127 -2.950 576 1HE MET 74 1HE MET 74 -3.076 4.961 -2.649 577 2HE MET 74 2HE MET 74 -3.637 6.553 -3.162 578 3HE MET 74 3HE MET 74 -2.475 6.411 -1.844 579 H ILE 75 H ILE 75 0.177 10.063 -3.097 580 HA ILE 75 HA ILE 75 -0.584 10.573 -0.494 581 HB ILE 75 HB ILE 75 2.008 11.339 -1.849 582 1HG1 ILE 75 1HG1 ILE 75 1.412 8.946 -0.105 583 2HG1 ILE 75 2HG1 ILE 75 1.314 8.904 -1.862 584 1HG2 ILE 75 1HG2 ILE 75 1.518 10.979 1.100 585 2HG2 ILE 75 2HG2 ILE 75 1.569 12.547 0.295 586 3HG2 ILE 75 3HG2 ILE 75 3.001 11.519 0.314 587 1HD1 ILE 75 1HD1 ILE 75 3.431 8.017 -1.001 588 2HD1 ILE 75 2HD1 ILE 75 3.783 9.590 -0.287 589 3HD1 ILE 75 3HD1 ILE 75 3.663 9.423 -2.038 590 H GLU 76 H GLU 76 0.036 12.806 -3.119 591 HA GLU 76 HA GLU 76 0.264 15.204 -1.753 592 1HB GLU 76 1HB GLU 76 -0.828 14.497 -4.452 593 2HB GLU 76 2HB GLU 76 -0.904 16.156 -3.878 594 1HG GLU 76 1HG GLU 76 1.490 16.241 -3.661 595 2HG GLU 76 2HG GLU 76 1.627 14.535 -4.082 596 H VAL 77 H VAL 77 -2.769 13.850 -3.091 597 HA VAL 77 HA VAL 77 -4.342 15.775 -1.603 598 HB VAL 77 HB VAL 77 -5.321 13.433 -3.241 599 1HG1 VAL 77 1HG1 VAL 77 -6.698 15.962 -2.343 600 2HG1 VAL 77 2HG1 VAL 77 -6.991 14.337 -1.723 601 3HG1 VAL 77 3HG1 VAL 77 -7.395 14.729 -3.394 602 1HG2 VAL 77 1HG2 VAL 77 -4.859 16.288 -4.100 603 2HG2 VAL 77 2HG2 VAL 77 -5.598 15.021 -5.077 604 3HG2 VAL 77 3HG2 VAL 77 -3.907 14.890 -4.598 605 H VAL 78 H VAL 78 -3.268 12.528 -1.256 606 HA VAL 78 HA VAL 78 -5.254 11.586 0.523 607 HB VAL 78 HB VAL 78 -2.501 10.656 -0.245 608 1HG1 VAL 78 1HG1 VAL 78 -2.664 10.203 2.168 609 2HG1 VAL 78 2HG1 VAL 78 -2.712 8.719 1.221 610 3HG1 VAL 78 3HG1 VAL 78 -4.198 9.374 1.906 611 1HG2 VAL 78 1HG2 VAL 78 -4.359 10.186 -1.728 612 2HG2 VAL 78 2HG2 VAL 78 -5.248 9.425 -0.409 613 3HG2 VAL 78 3HG2 VAL 78 -3.759 8.694 -1.004 614 H HIS 79 H HIS 79 -2.840 13.881 0.918 615 HA HIS 79 HA HIS 79 -3.151 13.763 3.830 616 1HB HIS 79 1HB HIS 79 -0.549 14.190 2.347 617 2HB HIS 79 2HB HIS 79 -0.766 14.510 4.064 618 HD1 HIS 79 1HD HIS 79 -0.939 12.477 5.640 619 HD2 HIS 79 2HD HIS 79 -0.404 11.477 1.642 620 HE1 HIS 79 1HE HIS 79 -0.362 10.028 5.629 621 HE2 HIS 79 2HE HIS 79 -0.016 9.452 3.203 622 H ALA 80 H ALA 80 -4.757 15.313 2.382 623 HA ALA 80 HA ALA 80 -3.899 17.860 1.657 624 1HB ALA 80 1HB ALA 80 -6.215 18.546 1.871 625 2HB ALA 80 2HB ALA 80 -6.576 17.106 2.825 626 3HB ALA 80 3HB ALA 80 -6.119 16.948 1.129 627 H GLY 81 H GLY 81 -3.392 19.669 2.736 628 1HA GLY 81 1HA GLY 81 -4.074 20.964 4.844 629 2HA GLY 81 2HA GLY 81 -3.462 19.542 5.679 630 H ASN 82 H ASN 82 -1.173 18.921 5.053 631 HA ASN 82 HA ASN 82 0.450 21.371 4.895 632 1HB ASN 82 1HB ASN 82 1.088 18.705 6.174 633 2HB ASN 82 2HB ASN 82 2.199 20.066 6.081 634 1HD2 ASN 82 1HD2 ASN 82 2.385 20.309 8.260 635 2HD2 ASN 82 2HD2 ASN 82 1.107 20.900 9.254 636 H ALA 83 H ALA 83 2.313 21.392 3.616 637 HA ALA 83 HA ALA 83 2.136 19.765 1.246 638 1HB ALA 83 1HB ALA 83 3.917 21.171 0.385 639 2HB ALA 83 2HB ALA 83 4.164 21.870 1.985 640 3HB ALA 83 3HB ALA 83 2.655 22.159 1.119 641 H ASP 84 H ASP 84 4.302 19.994 4.033 642 HA ASP 84 HA ASP 84 6.205 18.170 2.890 643 1HB ASP 84 1HB ASP 84 7.378 18.284 4.957 644 2HB ASP 84 2HB ASP 84 6.824 19.912 4.571 645 H ASP 85 H ASP 85 3.400 17.924 4.972 646 HA ASP 85 HA ASP 85 3.792 15.400 6.065 647 1HB ASP 85 1HB ASP 85 1.323 16.893 5.218 648 2HB ASP 85 2HB ASP 85 1.195 15.236 5.800 649 H ILE 86 H ILE 86 3.271 16.402 2.857 650 HA ILE 86 HA ILE 86 2.540 13.801 1.831 651 HB ILE 86 HB ILE 86 3.270 16.393 0.436 652 1HG1 ILE 86 1HG1 ILE 86 0.535 15.144 0.609 653 2HG1 ILE 86 2HG1 ILE 86 1.123 16.257 1.842 654 1HG2 ILE 86 1HG2 ILE 86 2.014 13.932 -0.766 655 2HG2 ILE 86 2HG2 ILE 86 3.718 14.360 -0.918 656 3HG2 ILE 86 3HG2 ILE 86 2.482 15.411 -1.605 657 1HD1 ILE 86 1HD1 ILE 86 1.362 18.006 0.199 658 2HD1 ILE 86 2HD1 ILE 86 -0.276 17.351 0.146 659 3HD1 ILE 86 3HD1 ILE 86 0.898 16.896 -1.090 660 H GLN 87 H GLN 87 5.212 16.108 1.481 661 HA GLN 87 HA GLN 87 6.993 14.586 0.043 662 1HB GLN 87 1HB GLN 87 7.678 16.575 2.201 663 2HB GLN 87 2HB GLN 87 8.738 16.054 0.900 664 1HG GLN 87 1HG GLN 87 6.251 17.712 0.714 665 2HG GLN 87 2HG GLN 87 7.900 18.174 0.304 666 1HE2 GLN 87 1HE2 GLN 87 8.817 17.414 -1.610 667 2HE2 GLN 87 2HE2 GLN 87 7.852 16.784 -2.897 668 H LEU 88 H LEU 88 6.133 14.314 3.376 669 HA LEU 88 HA LEU 88 8.451 12.902 4.236 670 1HB LEU 88 1HB LEU 88 7.088 14.066 5.850 671 2HB LEU 88 2HB LEU 88 5.675 13.130 5.402 672 HG LEU 88 HG LEU 88 6.787 11.096 6.288 673 1HD1 LEU 88 1HD1 LEU 88 8.775 11.337 7.685 674 2HD1 LEU 88 2HD1 LEU 88 8.881 13.042 7.245 675 3HD1 LEU 88 3HD1 LEU 88 9.104 11.796 6.015 676 1HD2 LEU 88 1HD2 LEU 88 6.536 11.679 8.653 677 2HD2 LEU 88 2HD2 LEU 88 5.229 12.346 7.675 678 3HD2 LEU 88 3HD2 LEU 88 6.539 13.391 8.228 679 H VAL 89 H VAL 89 5.186 11.927 3.253 680 HA VAL 89 HA VAL 89 5.622 9.144 3.592 681 HB VAL 89 HB VAL 89 3.597 10.499 1.814 682 1HG1 VAL 89 1HG1 VAL 89 2.300 8.434 2.153 683 2HG1 VAL 89 2HG1 VAL 89 3.662 7.746 3.037 684 3HG1 VAL 89 3HG1 VAL 89 3.830 8.138 1.326 685 1HG2 VAL 89 1HG2 VAL 89 3.408 9.711 4.718 686 2HG2 VAL 89 2HG2 VAL 89 2.065 10.286 3.729 687 3HG2 VAL 89 3HG2 VAL 89 3.426 11.354 4.076 688 H LYS 90 H LYS 90 5.831 11.311 0.789 689 HA LYS 90 HA LYS 90 6.207 9.448 -1.214 690 1HB LYS 90 1HB LYS 90 7.743 12.025 -1.194 691 2HB LYS 90 2HB LYS 90 6.934 11.227 -2.524 692 1HG LYS 90 1HG LYS 90 4.863 11.772 -0.877 693 2HG LYS 90 2HG LYS 90 5.908 13.162 -0.636 694 1HD LYS 90 1HD LYS 90 4.974 12.118 -3.302 695 2HD LYS 90 2HD LYS 90 4.274 13.481 -2.432 696 1HE LYS 90 1HE LYS 90 6.412 14.629 -2.505 697 2HE LYS 90 2HE LYS 90 7.106 13.277 -3.393 698 1HZ LYS 90 1HZ LYS 90 6.482 15.080 -4.878 699 2HZ LYS 90 2HZ LYS 90 4.882 15.004 -4.338 700 3HZ LYS 90 3HZ LYS 90 5.546 13.705 -5.191 701 H GLY 91 H GLY 91 8.365 10.515 1.284 702 1HA GLY 91 1HA GLY 91 10.712 9.349 0.025 703 2HA GLY 91 2HA GLY 91 10.653 10.149 1.589 704 H ILE 92 H ILE 92 8.285 8.432 2.330 705 HA ILE 92 HA ILE 92 9.684 6.431 3.721 706 HB ILE 92 HB ILE 92 6.734 6.553 3.069 707 1HG1 ILE 92 1HG1 ILE 92 7.442 8.513 4.315 708 2HG1 ILE 92 2HG1 ILE 92 6.520 7.451 5.372 709 1HG2 ILE 92 1HG2 ILE 92 6.483 5.068 5.041 710 2HG2 ILE 92 2HG2 ILE 92 8.237 4.890 5.081 711 3HG2 ILE 92 3HG2 ILE 92 7.325 4.312 3.687 712 1HD1 ILE 92 1HD1 ILE 92 8.614 6.624 6.343 713 2HD1 ILE 92 2HD1 ILE 92 8.424 8.368 6.539 714 3HD1 ILE 92 3HD1 ILE 92 9.516 7.732 5.308 715 H ALA 93 H ALA 93 7.864 6.366 0.699 716 HA ALA 93 HA ALA 93 7.870 3.603 0.262 717 1HB ALA 93 1HB ALA 93 6.493 5.169 -1.020 718 2HB ALA 93 2HB ALA 93 7.456 4.138 -2.079 719 3HB ALA 93 3HB ALA 93 7.942 5.810 -1.794 720 H ASN 94 H ASN 94 10.344 6.015 -0.197 721 HA ASN 94 HA ASN 94 12.039 4.672 -1.962 722 1HB ASN 94 1HB ASN 94 12.355 7.018 -1.391 723 2HB ASN 94 2HB ASN 94 12.731 6.588 0.274 724 1HD2 ASN 94 1HD2 ASN 94 14.721 5.723 0.769 725 2HD2 ASN 94 2HD2 ASN 94 16.047 5.747 -0.336 726 H GLU 95 H GLU 95 11.367 4.089 1.373 727 HA GLU 95 HA GLU 95 13.771 2.587 1.887 728 1HB GLU 95 1HB GLU 95 12.278 3.867 3.583 729 2HB GLU 95 2HB GLU 95 11.267 2.427 3.549 730 1HG GLU 95 1HG GLU 95 14.196 2.447 4.245 731 2HG GLU 95 2HG GLU 95 12.881 2.479 5.418 732 H CYS 96 H CYS 96 10.422 1.894 1.069 733 HA CYS 96 HA CYS 96 10.651 -0.945 1.343 734 1HB CYS 96 1HB CYS 96 8.589 0.846 0.061 735 2HB CYS 96 2HB CYS 96 8.458 -0.909 0.076 736 H ILE 97 H ILE 97 10.960 1.326 -1.347 737 HA ILE 97 HA ILE 97 10.887 -0.462 -3.479 738 HB ILE 97 HB ILE 97 12.514 2.070 -3.202 739 1HG1 ILE 97 1HG1 ILE 97 9.889 1.631 -4.633 740 2HG1 ILE 97 2HG1 ILE 97 9.995 2.208 -2.973 741 1HG2 ILE 97 1HG2 ILE 97 13.436 0.717 -4.982 742 2HG2 ILE 97 2HG2 ILE 97 12.551 2.076 -5.673 743 3HG2 ILE 97 3HG2 ILE 97 11.829 0.466 -5.664 744 1HD1 ILE 97 1HD1 ILE 97 11.260 4.157 -3.744 745 2HD1 ILE 97 2HD1 ILE 97 9.672 4.049 -4.505 746 3HD1 ILE 97 3HD1 ILE 97 11.114 3.579 -5.405 747 H GLU 98 H GLU 98 13.381 0.127 -1.133 748 HA GLU 98 HA GLU 98 15.452 -1.188 -2.644 749 1HB GLU 98 1HB GLU 98 15.380 -0.373 0.267 750 2HB GLU 98 2HB GLU 98 16.804 -0.912 -0.611 751 1HG GLU 98 1HG GLU 98 15.204 1.565 -1.210 752 2HG GLU 98 2HG GLU 98 16.750 1.511 -0.365 753 H ASN 99 H ASN 99 13.637 -1.952 0.333 754 HA ASN 99 HA ASN 99 14.714 -4.568 0.561 755 1HB ASN 99 1HB ASN 99 12.910 -4.872 2.264 756 2HB ASN 99 2HB ASN 99 13.923 -3.457 2.523 757 1HD2 ASN 99 1HD2 ASN 99 11.069 -4.109 0.502 758 2HD2 ASN 99 2HD2 ASN 99 10.148 -2.776 1.097 759 H ALA 100 H ALA 100 12.238 -3.280 -1.401 760 HA ALA 100 HA ALA 100 10.717 -5.723 -1.617 761 1HB ALA 100 1HB ALA 100 9.409 -4.536 -3.289 762 2HB ALA 100 2HB ALA 100 10.582 -3.220 -3.292 763 3HB ALA 100 3HB ALA 100 9.624 -3.543 -1.847 764 H LYS 101 H LYS 101 12.886 -3.881 -3.740 765 HA LYS 101 HA LYS 101 14.155 -4.478 -5.523 766 1HB LYS 101 1HB LYS 101 13.875 -7.111 -4.108 767 2HB LYS 101 2HB LYS 101 14.810 -6.964 -5.589 768 1HG LYS 101 1HG LYS 101 16.314 -5.414 -4.553 769 2HG LYS 101 2HG LYS 101 15.311 -5.343 -3.104 770 1HD LYS 101 1HD LYS 101 16.659 -7.843 -4.115 771 2HD LYS 101 2HD LYS 101 17.334 -6.784 -2.878 772 1HE LYS 101 1HE LYS 101 15.255 -7.158 -1.537 773 2HE LYS 101 2HE LYS 101 14.765 -8.356 -2.736 774 1HZ LYS 101 1HZ LYS 101 15.838 -9.393 -0.841 775 2HZ LYS 101 2HZ LYS 101 17.235 -8.469 -1.088 776 3HZ LYS 101 3HZ LYS 101 16.766 -9.618 -2.238 777 H GLY 102 H GLY 102 14.205 -6.345 -7.372 778 1HA GLY 102 1HA GLY 102 11.595 -6.107 -8.623 779 2HA GLY 102 2HA GLY 102 13.084 -6.625 -9.402 780 H GLU 103 H GLU 103 11.513 -7.845 -6.487 781 HA GLU 103 HA GLU 103 11.926 -10.545 -7.072 782 1HB GLU 103 1HB GLU 103 9.881 -9.215 -5.291 783 2HB GLU 103 2HB GLU 103 10.165 -10.946 -5.319 784 1HG GLU 103 1HG GLU 103 12.130 -8.808 -4.534 785 2HG GLU 103 2HG GLU 103 11.333 -9.963 -3.466 786 H THR 104 H THR 104 10.965 -11.907 -8.430 787 HA THR 104 HA THR 104 8.832 -11.044 -10.117 788 HB THR 104 HB THR 104 10.563 -12.543 -10.972 789 HG1 THR 104 1HG THR 104 8.484 -12.650 -11.933 790 1HG2 THR 104 1HG2 THR 104 10.998 -13.844 -8.954 791 2HG2 THR 104 2HG2 THR 104 10.599 -14.912 -10.301 792 3HG2 THR 104 3HG2 THR 104 9.394 -14.569 -9.059 793 H ASP 105 H ASP 105 9.026 -12.890 -7.180 794 HA ASP 105 HA ASP 105 6.472 -14.144 -7.418 795 1HB ASP 105 1HB ASP 105 8.233 -15.061 -5.969 796 2HB ASP 105 2HB ASP 105 8.147 -13.628 -4.951 797 H GLU 106 H GLU 106 4.508 -13.460 -6.804 798 HA GLU 106 HA GLU 106 3.996 -10.715 -6.526 799 1HB GLU 106 1HB GLU 106 2.394 -12.387 -7.430 800 2HB GLU 106 2HB GLU 106 2.170 -13.009 -5.800 801 1HG GLU 106 1HG GLU 106 1.278 -10.860 -5.087 802 2HG GLU 106 2HG GLU 106 1.530 -10.211 -6.706 803 H CYS 107 H CYS 107 3.440 -13.279 -4.094 804 HA CYS 107 HA CYS 107 2.903 -11.522 -1.983 805 1HB CYS 107 1HB CYS 107 3.772 -14.395 -2.072 806 2HB CYS 107 2HB CYS 107 3.537 -13.559 -0.541 807 H ASN 108 H ASN 108 5.843 -12.076 -3.520 808 HA ASN 108 HA ASN 108 7.478 -11.594 -1.171 809 1HB ASN 108 1HB ASN 108 8.181 -13.089 -3.101 810 2HB ASN 108 2HB ASN 108 8.397 -11.618 -4.048 811 1HD2 ASN 108 1HD2 ASN 108 10.341 -13.632 -3.205 812 2HD2 ASN 108 2HD2 ASN 108 11.558 -12.778 -2.326 813 H ILE 109 H ILE 109 6.857 -9.941 -4.269 814 HA ILE 109 HA ILE 109 8.217 -7.594 -3.830 815 HB ILE 109 HB ILE 109 6.014 -8.449 -5.554 816 1HG1 ILE 109 1HG1 ILE 109 8.223 -6.432 -5.994 817 2HG1 ILE 109 2HG1 ILE 109 8.401 -8.166 -6.218 818 1HG2 ILE 109 1HG2 ILE 109 6.139 -5.558 -4.718 819 2HG2 ILE 109 2HG2 ILE 109 4.757 -6.652 -4.633 820 3HG2 ILE 109 3HG2 ILE 109 5.363 -6.116 -6.200 821 1HD1 ILE 109 1HD1 ILE 109 8.050 -7.063 -8.337 822 2HD1 ILE 109 2HD1 ILE 109 6.542 -6.365 -7.746 823 3HD1 ILE 109 3HD1 ILE 109 6.683 -8.109 -7.958 824 H GLY 110 H GLY 110 5.082 -8.585 -2.591 825 1HA GLY 110 1HA GLY 110 4.496 -5.959 -1.519 826 2HA GLY 110 2HA GLY 110 3.492 -7.387 -1.384 827 H ASN 111 H ASN 111 5.077 -9.193 -0.058 828 HA ASN 111 HA ASN 111 4.803 -8.403 2.591 829 1HB ASN 111 1HB ASN 111 4.952 -10.725 2.152 830 2HB ASN 111 2HB ASN 111 6.515 -10.557 1.357 831 1HD2 ASN 111 1HD2 ASN 111 5.579 -8.999 4.377 832 2HD2 ASN 111 2HD2 ASN 111 6.669 -9.890 5.371 833 H LYS 112 H LYS 112 7.328 -7.756 0.354 834 HA LYS 112 HA LYS 112 9.189 -6.894 2.407 835 1HB LYS 112 1HB LYS 112 9.279 -6.904 -0.606 836 2HB LYS 112 2HB LYS 112 10.527 -6.144 0.370 837 1HG LYS 112 1HG LYS 112 9.746 -9.034 0.645 838 2HG LYS 112 2HG LYS 112 11.033 -8.468 -0.421 839 1HD LYS 112 1HD LYS 112 12.177 -7.475 1.514 840 2HD LYS 112 2HD LYS 112 10.903 -8.089 2.570 841 1HE LYS 112 1HE LYS 112 12.754 -9.753 0.864 842 2HE LYS 112 2HE LYS 112 12.870 -9.540 2.611 843 1HZ LYS 112 1HZ LYS 112 10.710 -10.596 2.847 844 2HZ LYS 112 2HZ LYS 112 11.787 -11.622 2.041 845 3HZ LYS 112 3HZ LYS 112 10.594 -10.796 1.171 846 H TYR 113 H TYR 113 7.088 -5.513 -0.060 847 HA TYR 113 HA TYR 113 7.832 -2.797 0.513 848 1HB TYR 113 1HB TYR 113 7.002 -3.742 -1.722 849 2HB TYR 113 2HB TYR 113 5.389 -3.685 -1.014 850 HD1 TYR 113 1HD TYR 113 4.410 -1.477 -0.365 851 HD2 TYR 113 2HD TYR 113 8.078 -1.775 -2.504 852 HE1 TYR 113 1HE TYR 113 4.225 0.891 -1.006 853 HE2 TYR 113 2HE TYR 113 7.903 0.591 -3.147 854 HH TYR 113 HH TYR 113 6.146 2.304 -3.407 855 H THR 114 H THR 114 4.661 -4.429 0.705 856 HA THR 114 HA THR 114 3.260 -2.568 2.125 857 HB THR 114 HB THR 114 1.765 -4.296 2.849 858 HG1 THR 114 1HG THR 114 2.380 -6.431 2.987 859 1HG2 THR 114 1HG2 THR 114 1.337 -5.491 0.807 860 2HG2 THR 114 2HG2 THR 114 2.993 -5.235 0.260 861 3HG2 THR 114 3HG2 THR 114 1.891 -3.866 0.404 862 H ASP 115 H ASP 115 5.309 -5.127 3.475 863 HA ASP 115 HA ASP 115 4.974 -4.886 6.146 864 1HB ASP 115 1HB ASP 115 6.571 -6.430 5.112 865 2HB ASP 115 2HB ASP 115 7.634 -5.077 4.709 866 H CYS 116 H CYS 116 7.683 -3.172 4.616 867 HA CYS 116 HA CYS 116 8.161 -1.452 6.751 868 1HB CYS 116 1HB CYS 116 9.258 -0.019 4.847 869 2HB CYS 116 2HB CYS 116 9.934 -1.589 5.275 870 H TYR 117 H TYR 117 5.944 -1.134 4.056 871 HA TYR 117 HA TYR 117 5.438 1.601 4.168 872 1HB TYR 117 1HB TYR 117 4.459 -0.500 2.701 873 2HB TYR 117 2HB TYR 117 3.062 -0.064 3.678 874 HD1 TYR 117 1HD TYR 117 1.645 0.860 2.012 875 HD2 TYR 117 2HD TYR 117 5.647 2.260 2.388 876 HE1 TYR 117 1HE TYR 117 1.138 2.703 0.467 877 HE2 TYR 117 2HE TYR 117 5.150 4.105 0.843 878 HH TYR 117 HH TYR 117 3.531 4.619 -0.956 879 H ILE 118 H ILE 118 4.136 -1.040 6.100 880 HA ILE 118 HA ILE 118 2.355 0.700 7.584 881 HB ILE 118 HB ILE 118 3.128 -2.165 8.170 882 1HG1 ILE 118 1HG1 ILE 118 0.728 -1.110 6.655 883 2HG1 ILE 118 2HG1 ILE 118 2.132 -1.867 5.909 884 1HG2 ILE 118 1HG2 ILE 118 2.163 -1.023 10.082 885 2HG2 ILE 118 2HG2 ILE 118 1.018 -2.199 9.438 886 3HG2 ILE 118 3HG2 ILE 118 0.802 -0.482 9.099 887 1HD1 ILE 118 1HD1 ILE 118 0.229 -3.179 7.836 888 2HD1 ILE 118 2HD1 ILE 118 1.639 -3.941 7.102 889 3HD1 ILE 118 3HD1 ILE 118 0.288 -3.426 6.092 890 H GLU 119 H GLU 119 5.620 -0.328 7.749 891 HA GLU 119 HA GLU 119 5.986 -0.105 10.563 892 1HB GLU 119 1HB GLU 119 7.519 -1.394 9.154 893 2HB GLU 119 2HB GLU 119 7.999 0.073 8.313 894 1HG GLU 119 1HG GLU 119 9.670 -0.589 9.940 895 2HG GLU 119 2HG GLU 119 8.946 0.959 10.376 896 H LYS 120 H LYS 120 7.079 2.030 7.907 897 HA LYS 120 HA LYS 120 7.504 4.188 9.796 898 1HB LYS 120 1HB LYS 120 7.905 4.016 6.813 899 2HB LYS 120 2HB LYS 120 8.314 5.420 7.790 900 1HG LYS 120 1HG LYS 120 9.860 3.976 9.102 901 2HG LYS 120 2HG LYS 120 9.533 2.674 7.956 902 1HD LYS 120 1HD LYS 120 10.398 4.027 6.136 903 2HD LYS 120 2HD LYS 120 10.652 5.382 7.237 904 1HE LYS 120 1HE LYS 120 12.017 2.695 7.376 905 2HE LYS 120 2HE LYS 120 12.740 4.198 6.804 906 1HZ LYS 120 1HZ LYS 120 13.376 3.736 9.082 907 2HZ LYS 120 2HZ LYS 120 11.754 3.689 9.558 908 3HZ LYS 120 3HZ LYS 120 12.431 5.139 9.013 909 H LEU 121 H LEU 121 5.521 3.663 6.887 910 HA LEU 121 HA LEU 121 4.106 6.147 7.330 911 1HB LEU 121 1HB LEU 121 4.651 5.569 5.069 912 2HB LEU 121 2HB LEU 121 3.862 4.014 5.222 913 HG LEU 121 HG LEU 121 1.688 5.132 5.419 914 1HD1 LEU 121 1HD1 LEU 121 3.281 7.647 4.952 915 2HD1 LEU 121 2HD1 LEU 121 2.363 7.231 6.400 916 3HD1 LEU 121 3HD1 LEU 121 1.523 7.534 4.880 917 1HD2 LEU 121 1HD2 LEU 121 3.317 5.879 2.998 918 2HD2 LEU 121 2HD2 LEU 121 1.557 5.929 3.084 919 3HD2 LEU 121 3HD2 LEU 121 2.406 4.391 3.244 920 H PHE 122 H PHE 122 3.719 2.947 8.411 921 HA PHE 122 HA PHE 122 2.051 1.922 9.573 922 1HB PHE 122 1HB PHE 122 1.701 3.697 11.004 923 2HB PHE 122 2HB PHE 122 1.269 4.800 9.709 924 HD1 PHE 122 1HD PHE 122 -0.017 1.707 11.344 925 HD2 PHE 122 2HD PHE 122 -0.920 5.471 9.579 926 HE1 PHE 122 1HE PHE 122 -2.391 1.388 11.900 927 HE2 PHE 122 2HE PHE 122 -3.290 5.169 10.137 928 HZ PHE 122 HZ PHE 122 -4.041 3.142 11.283 929 H SER 123 H SER 123 1.693 3.202 6.544 930 HA SER 123 HA SER 123 -0.379 1.340 5.865 931 1HB SER 123 1HB SER 123 -0.944 4.304 5.616 932 2HB SER 123 2HB SER 123 -1.928 3.025 4.901 933 HG SER 123 HG SER 123 -2.792 2.651 6.783 934 1H4 TSD 124 1H4 TSP 124 -5.489 1.534 4.983 935 2H4 TSD 124 2H4 TSP 124 -4.582 2.541 3.879 936 3H4 TSD 124 3H4 TSP 124 -3.815 1.911 5.318 937 1H5 TSD 124 1H5 TSP 124 -4.191 -1.958 4.630 938 2H5 TSD 124 2H5 TSP 124 -5.433 -1.712 3.423 939 3H5 TSD 124 3H5 TSP 124 -5.583 -0.965 4.997 940 1H6 TSD 124 1H6 TSP 124 -1.971 -0.343 4.772 941 2H6 TSD 124 2H6 TSP 124 -1.697 0.899 3.572 942 3H6 TSD 124 3H6 TSP 124 -1.876 -0.769 3.079 943 1D3 TSD 124 1D3 TSP 124 -3.818 1.279 1.483 944 2D3 TSD 124 2D3 TSP 124 -4.120 -0.439 1.321 945 1D2 TSD 124 1D2 TSP 124 -6.184 1.678 2.003 946 2D2 TSD 124 2D2 TSP 124 -6.509 -0.052 1.926 Start of MODEL 7 1 HA ILE 1 HA ILE 1 -1.650 16.281 10.919 2 HB ILE 1 HB ILE 1 -0.868 14.414 9.471 3 1HG1 ILE 1 1HG1 ILE 1 1.691 13.888 10.071 4 2HG1 ILE 1 2HG1 ILE 1 1.079 14.128 11.704 5 1HG2 ILE 1 1HG2 ILE 1 1.193 16.525 10.093 6 2HG2 ILE 1 2HG2 ILE 1 -0.199 16.710 9.026 7 3HG2 ILE 1 3HG2 ILE 1 1.093 15.589 8.601 8 1HD1 ILE 1 1HD1 ILE 1 1.049 11.781 11.058 9 2HD1 ILE 1 2HD1 ILE 1 -0.005 12.166 9.697 10 3HD1 ILE 1 3HD1 ILE 1 -0.580 12.389 11.349 11 H ASP 2 H ASP 2 -3.269 14.707 10.419 12 HA ASP 2 HA ASP 2 -3.822 12.937 12.691 13 1HB ASP 2 1HB ASP 2 -5.652 13.992 10.523 14 2HB ASP 2 2HB ASP 2 -6.154 12.940 11.842 15 H GLN 3 H GLN 3 -4.075 10.771 12.474 16 HA GLN 3 HA GLN 3 -2.945 9.471 10.232 17 1HB GLN 3 1HB GLN 3 -4.654 8.295 12.430 18 2HB GLN 3 2HB GLN 3 -3.607 7.395 11.340 19 1HG GLN 3 1HG GLN 3 -1.708 8.822 12.268 20 2HG GLN 3 2HG GLN 3 -2.838 9.281 13.539 21 1HE2 GLN 3 1HE2 GLN 3 -4.133 6.652 13.557 22 2HE2 GLN 3 2HE2 GLN 3 -3.029 5.586 14.348 23 H ASP 4 H ASP 4 -5.956 10.846 10.635 24 HA ASP 4 HA ASP 4 -7.637 9.006 9.305 25 1HB ASP 4 1HB ASP 4 -7.846 12.017 9.527 26 2HB ASP 4 2HB ASP 4 -9.132 10.956 8.960 27 H THR 5 H THR 5 -5.714 11.751 8.158 28 HA THR 5 HA THR 5 -6.483 11.831 5.499 29 HB THR 5 HB THR 5 -4.870 13.394 6.704 30 HG1 THR 5 1HG THR 5 -5.240 13.655 4.505 31 1HG2 THR 5 1HG2 THR 5 -3.298 11.636 7.458 32 2HG2 THR 5 2HG2 THR 5 -2.503 12.906 6.529 33 3HG2 THR 5 3HG2 THR 5 -2.849 11.347 5.777 34 H VAL 6 H VAL 6 -4.590 9.474 7.167 35 HA VAL 6 HA VAL 6 -3.578 8.283 4.721 36 HB VAL 6 HB VAL 6 -3.343 7.382 7.596 37 1HG1 VAL 6 1HG1 VAL 6 -1.992 6.325 5.114 38 2HG1 VAL 6 2HG1 VAL 6 -3.190 5.481 6.096 39 3HG1 VAL 6 3HG1 VAL 6 -1.604 5.855 6.768 40 1HG2 VAL 6 1HG2 VAL 6 -1.363 8.738 5.769 41 2HG2 VAL 6 2HG2 VAL 6 -1.026 8.155 7.400 42 3HG2 VAL 6 3HG2 VAL 6 -2.175 9.469 7.152 43 H VAL 7 H VAL 7 -5.413 6.987 7.489 44 HA VAL 7 HA VAL 7 -6.286 4.672 6.164 45 HB VAL 7 HB VAL 7 -7.581 6.045 8.519 46 1HG1 VAL 7 1HG1 VAL 7 -9.023 4.362 7.520 47 2HG1 VAL 7 2HG1 VAL 7 -8.410 3.803 9.076 48 3HG1 VAL 7 3HG1 VAL 7 -7.714 3.183 7.579 49 1HG2 VAL 7 1HG2 VAL 7 -5.409 3.954 8.438 50 2HG2 VAL 7 2HG2 VAL 7 -6.209 4.548 9.894 51 3HG2 VAL 7 3HG2 VAL 7 -5.217 5.639 8.924 52 H ALA 8 H ALA 8 -8.253 7.497 7.097 53 HA ALA 8 HA ALA 8 -10.589 6.769 5.817 54 1HB ALA 8 1HB ALA 8 -10.393 8.610 7.431 55 2HB ALA 8 2HB ALA 8 -11.254 9.087 5.967 56 3HB ALA 8 3HB ALA 8 -9.577 9.581 6.204 57 H LYS 9 H LYS 9 -7.691 8.130 4.376 58 HA LYS 9 HA LYS 9 -9.121 8.766 1.921 59 1HB LYS 9 1HB LYS 9 -6.664 9.591 3.116 60 2HB LYS 9 2HB LYS 9 -6.334 8.962 1.508 61 1HG LYS 9 1HG LYS 9 -8.393 11.070 2.116 62 2HG LYS 9 2HG LYS 9 -6.746 11.406 1.581 63 1HD LYS 9 1HD LYS 9 -7.205 10.020 -0.446 64 2HD LYS 9 2HD LYS 9 -8.888 9.910 0.074 65 1HE LYS 9 1HE LYS 9 -7.400 12.469 -0.506 66 2HE LYS 9 2HE LYS 9 -8.526 11.675 -1.606 67 1HZ LYS 9 1HZ LYS 9 -10.280 11.982 0.030 68 2HZ LYS 9 2HZ LYS 9 -9.596 13.467 -0.402 69 3HZ LYS 9 3HZ LYS 9 -9.199 12.752 1.079 70 H TYR 10 H TYR 10 -6.274 6.749 2.713 71 HA TYR 10 HA TYR 10 -6.065 5.440 0.298 72 1HB TYR 10 1HB TYR 10 -5.364 4.637 3.097 73 2HB TYR 10 2HB TYR 10 -5.176 3.480 1.783 74 HD1 TYR 10 1HD TYR 10 -4.059 4.803 -0.409 75 HD2 TYR 10 2HD TYR 10 -3.385 5.620 3.710 76 HE1 TYR 10 1HE TYR 10 -1.881 5.798 -0.969 77 HE2 TYR 10 2HE TYR 10 -1.206 6.620 3.162 78 HH TYR 10 HH TYR 10 -0.295 7.433 0.016 79 H MET 11 H MET 11 -8.490 5.109 2.694 80 HA MET 11 HA MET 11 -9.411 2.531 1.773 81 1HB MET 11 1HB MET 11 -10.329 4.511 3.828 82 2HB MET 11 2HB MET 11 -11.425 3.246 3.295 83 1HG MET 11 1HG MET 11 -9.749 1.561 3.945 84 2HG MET 11 2HG MET 11 -8.713 2.856 4.543 85 1HE MET 11 1HE MET 11 -10.085 1.018 7.774 86 2HE MET 11 2HE MET 11 -8.636 1.461 6.872 87 3HE MET 11 3HE MET 11 -9.756 0.270 6.212 88 H GLU 12 H GLU 12 -10.905 5.769 1.912 89 HA GLU 12 HA GLU 12 -13.020 5.195 0.160 90 1HB GLU 12 1HB GLU 12 -13.035 7.118 1.667 91 2HB GLU 12 2HB GLU 12 -11.694 7.840 0.785 92 1HG GLU 12 1HG GLU 12 -13.161 7.913 -1.231 93 2HG GLU 12 2HG GLU 12 -14.496 7.381 -0.210 94 H TYR 13 H TYR 13 -9.971 6.906 -0.446 95 HA TYR 13 HA TYR 13 -10.144 7.558 -3.068 96 1HB TYR 13 1HB TYR 13 -8.191 7.812 -1.377 97 2HB TYR 13 2HB TYR 13 -7.631 6.275 -2.025 98 HD1 TYR 13 1HD TYR 13 -7.543 9.798 -2.404 99 HD2 TYR 13 2HD TYR 13 -7.341 6.167 -4.613 100 HE1 TYR 13 1HE TYR 13 -6.450 10.990 -4.258 101 HE2 TYR 13 2HE TYR 13 -6.246 7.347 -6.466 102 HH TYR 13 HH TYR 13 -4.979 10.478 -6.163 103 H LEU 14 H LEU 14 -9.630 4.336 -1.752 104 HA LEU 14 HA LEU 14 -10.159 3.215 -4.390 105 1HB LEU 14 1HB LEU 14 -7.692 2.610 -2.773 106 2HB LEU 14 2HB LEU 14 -8.261 1.587 -4.078 107 HG LEU 14 HG LEU 14 -7.514 4.489 -4.420 108 1HD1 LEU 14 1HD1 LEU 14 -5.588 3.109 -3.727 109 2HD1 LEU 14 2HD1 LEU 14 -5.437 3.734 -5.370 110 3HD1 LEU 14 3HD1 LEU 14 -5.887 2.050 -5.106 111 1HD2 LEU 14 1HD2 LEU 14 -8.016 2.287 -6.418 112 2HD2 LEU 14 2HD2 LEU 14 -7.490 3.926 -6.801 113 3HD2 LEU 14 3HD2 LEU 14 -9.080 3.655 -6.088 114 H MET 15 H MET 15 -12.092 3.069 -2.675 115 HA MET 15 HA MET 15 -11.864 0.706 -1.014 116 1HB MET 15 1HB MET 15 -13.068 2.518 -0.042 117 2HB MET 15 2HB MET 15 -14.087 2.686 -1.459 118 1HG MET 15 1HG MET 15 -15.345 1.650 0.285 119 2HG MET 15 2HG MET 15 -15.045 0.470 -0.990 120 1HE MET 15 1HE MET 15 -12.564 0.573 2.892 121 2HE MET 15 2HE MET 15 -13.935 1.654 2.645 122 3HE MET 15 3HE MET 15 -12.508 1.790 1.618 123 HA PRO 16 HA PRO 16 -15.185 -0.864 -4.123 124 1HB PRO 16 1HB PRO 16 -15.524 0.463 -6.460 125 2HB PRO 16 2HB PRO 16 -16.440 0.851 -5.000 126 1HG PRO 16 1HG PRO 16 -14.064 2.227 -6.169 127 2HG PRO 16 2HG PRO 16 -15.505 2.925 -5.412 128 1HD PRO 16 1HD PRO 16 -13.102 2.652 -4.144 129 2HD PRO 16 2HD PRO 16 -14.657 2.677 -3.296 130 H ASP 17 H ASP 17 -12.119 0.362 -4.935 131 HA ASP 17 HA ASP 17 -11.736 -1.446 -7.186 132 1HB ASP 17 1HB ASP 17 -9.816 0.495 -5.873 133 2HB ASP 17 2HB ASP 17 -9.502 -0.412 -7.349 134 H ILE 18 H ILE 18 -11.545 -1.510 -3.854 135 HA ILE 18 HA ILE 18 -9.325 -3.381 -3.685 136 HB ILE 18 HB ILE 18 -11.017 -1.913 -1.718 137 1HG1 ILE 18 1HG1 ILE 18 -8.048 -2.482 -1.852 138 2HG1 ILE 18 2HG1 ILE 18 -8.828 -1.059 -2.533 139 1HG2 ILE 18 1HG2 ILE 18 -9.502 -4.441 -1.064 140 2HG2 ILE 18 2HG2 ILE 18 -11.232 -4.156 -0.871 141 3HG2 ILE 18 3HG2 ILE 18 -10.076 -3.282 0.134 142 1HD1 ILE 18 1HD1 ILE 18 -8.727 -1.819 0.378 143 2HD1 ILE 18 2HD1 ILE 18 -9.560 -0.410 -0.283 144 3HD1 ILE 18 3HD1 ILE 18 -7.804 -0.538 -0.409 145 H MET 19 H MET 19 -12.831 -3.395 -3.081 146 HA MET 19 HA MET 19 -13.088 -5.987 -2.169 147 1HB MET 19 1HB MET 19 -15.457 -5.861 -3.005 148 2HB MET 19 2HB MET 19 -14.946 -4.569 -1.933 149 1HG MET 19 1HG MET 19 -14.633 -3.101 -3.870 150 2HG MET 19 2HG MET 19 -15.182 -4.400 -4.928 151 1HE MET 19 1HE MET 19 -17.849 -2.312 -1.790 152 2HE MET 19 2HE MET 19 -16.187 -1.833 -2.134 153 3HE MET 19 3HE MET 19 -16.516 -3.384 -1.360 154 HA PRO 20 HA PRO 20 -13.747 -7.329 -6.894 155 1HB PRO 20 1HB PRO 20 -11.227 -6.042 -7.825 156 2HB PRO 20 2HB PRO 20 -12.734 -6.327 -8.702 157 1HG PRO 20 1HG PRO 20 -12.136 -3.893 -7.842 158 2HG PRO 20 2HG PRO 20 -13.798 -4.504 -7.725 159 1HD PRO 20 1HD PRO 20 -11.721 -4.237 -5.593 160 2HD PRO 20 2HD PRO 20 -13.464 -3.930 -5.511 161 H CYS 21 H CYS 21 -10.385 -6.711 -5.810 162 HA CYS 21 HA CYS 21 -9.541 -9.334 -6.572 163 1HB CYS 21 1HB CYS 21 -8.251 -7.022 -5.190 164 2HB CYS 21 2HB CYS 21 -7.480 -8.605 -5.116 165 H ALA 22 H ALA 22 -10.925 -7.992 -3.715 166 HA ALA 22 HA ALA 22 -9.947 -9.672 -1.735 167 1HB ALA 22 1HB ALA 22 -11.405 -7.770 -1.268 168 2HB ALA 22 2HB ALA 22 -12.050 -9.246 -0.548 169 3HB ALA 22 3HB ALA 22 -12.757 -8.607 -2.031 170 H ASP 23 H ASP 23 -12.552 -10.217 -4.061 171 HA ASP 23 HA ASP 23 -13.088 -12.868 -3.024 172 1HB ASP 23 1HB ASP 23 -14.167 -11.464 -5.479 173 2HB ASP 23 2HB ASP 23 -14.751 -12.995 -4.837 174 H GLU 24 H GLU 24 -10.979 -11.417 -5.227 175 HA GLU 24 HA GLU 24 -10.714 -13.388 -7.197 176 1HB GLU 24 1HB GLU 24 -9.767 -11.049 -7.234 177 2HB GLU 24 2HB GLU 24 -8.490 -11.629 -6.178 178 1HG GLU 24 1HG GLU 24 -7.799 -13.237 -7.869 179 2HG GLU 24 2HG GLU 24 -9.095 -12.686 -8.930 180 H LEU 25 H LEU 25 -8.705 -12.890 -4.253 181 HA LEU 25 HA LEU 25 -7.455 -15.484 -4.732 182 1HB LEU 25 1HB LEU 25 -7.033 -13.699 -2.345 183 2HB LEU 25 2HB LEU 25 -5.942 -14.910 -2.998 184 HG LEU 25 HG LEU 25 -6.611 -12.254 -4.271 185 1HD1 LEU 25 1HD1 LEU 25 -4.344 -11.645 -3.763 186 2HD1 LEU 25 2HD1 LEU 25 -4.022 -13.247 -3.097 187 3HD1 LEU 25 3HD1 LEU 25 -5.144 -12.161 -2.278 188 1HD2 LEU 25 1HD2 LEU 25 -4.883 -12.823 -5.904 189 2HD2 LEU 25 2HD2 LEU 25 -6.239 -13.950 -5.972 190 3HD2 LEU 25 3HD2 LEU 25 -4.734 -14.426 -5.183 191 H HIS 26 H HIS 26 -9.509 -13.937 -2.292 192 HA HIS 26 HA HIS 26 -10.959 -16.212 -1.643 193 1HB HIS 26 1HB HIS 26 -8.555 -16.776 -0.735 194 2HB HIS 26 2HB HIS 26 -9.022 -15.716 0.590 195 HD1 HIS 26 1HD HIS 26 -9.497 -19.112 -0.750 196 HD2 HIS 26 2HD HIS 26 -11.240 -16.687 2.139 197 HE1 HIS 26 1HE HIS 26 -10.889 -20.653 0.669 198 HE2 HIS 26 2HE HIS 26 -11.886 -19.173 2.448 199 H ILE 27 H ILE 27 -9.317 -13.726 0.233 200 HA ILE 27 HA ILE 27 -11.831 -12.360 0.854 201 HB ILE 27 HB ILE 27 -11.115 -12.276 3.277 202 1HG1 ILE 27 1HG1 ILE 27 -9.074 -14.175 2.152 203 2HG1 ILE 27 2HG1 ILE 27 -8.859 -12.841 3.282 204 1HG2 ILE 27 1HG2 ILE 27 -12.924 -13.742 2.458 205 2HG2 ILE 27 2HG2 ILE 27 -12.064 -14.440 3.831 206 3HG2 ILE 27 3HG2 ILE 27 -11.743 -15.024 2.198 207 1HD1 ILE 27 1HD1 ILE 27 -9.995 -14.184 5.023 208 2HD1 ILE 27 2HD1 ILE 27 -8.496 -14.901 4.434 209 3HD1 ILE 27 3HD1 ILE 27 -10.049 -15.535 3.890 210 H SER 28 H SER 28 -11.399 -10.240 1.937 211 HA SER 28 HA SER 28 -9.018 -9.015 0.823 212 1HB SER 28 1HB SER 28 -10.530 -7.234 2.518 213 2HB SER 28 2HB SER 28 -10.251 -7.144 0.778 214 HG SER 28 HG SER 28 -12.208 -8.807 1.995 215 H GLU 29 H GLU 29 -7.436 -7.932 2.031 216 HA GLU 29 HA GLU 29 -6.504 -9.231 4.290 217 1HB GLU 29 1HB GLU 29 -5.067 -7.159 4.586 218 2HB GLU 29 2HB GLU 29 -4.948 -7.995 3.047 219 1HG GLU 29 1HG GLU 29 -4.987 -5.692 2.576 220 2HG GLU 29 2HG GLU 29 -6.570 -6.324 2.124 221 H ASP 30 H ASP 30 -8.989 -6.898 4.074 222 HA ASP 30 HA ASP 30 -8.763 -5.789 6.685 223 1HB ASP 30 1HB ASP 30 -10.029 -4.657 4.915 224 2HB ASP 30 2HB ASP 30 -11.170 -5.996 4.859 225 H ILE 31 H ILE 31 -10.920 -8.262 5.314 226 HA ILE 31 HA ILE 31 -11.759 -9.082 7.975 227 HB ILE 31 HB ILE 31 -12.519 -10.321 5.327 228 1HG1 ILE 31 1HG1 ILE 31 -14.008 -8.183 6.866 229 2HG1 ILE 31 2HG1 ILE 31 -13.033 -7.875 5.433 230 1HG2 ILE 31 1HG2 ILE 31 -14.511 -11.075 6.583 231 2HG2 ILE 31 2HG2 ILE 31 -13.805 -10.406 8.054 232 3HG2 ILE 31 3HG2 ILE 31 -13.006 -11.739 7.220 233 1HD1 ILE 31 1HD1 ILE 31 -15.487 -9.609 5.562 234 2HD1 ILE 31 2HD1 ILE 31 -14.508 -9.316 4.125 235 3HD1 ILE 31 3HD1 ILE 31 -15.386 -7.987 4.880 236 H ALA 32 H ALA 32 -9.223 -9.716 5.940 237 HA ALA 32 HA ALA 32 -8.958 -12.533 6.252 238 1HB ALA 32 1HB ALA 32 -6.850 -10.494 5.557 239 2HB ALA 32 2HB ALA 32 -7.905 -11.314 4.405 240 3HB ALA 32 3HB ALA 32 -6.728 -12.239 5.335 241 H THR 33 H THR 33 -8.798 -10.153 8.499 242 HA THR 33 HA THR 33 -6.507 -10.479 9.969 243 HB THR 33 HB THR 33 -8.084 -8.817 10.638 244 HG1 THR 33 1HG THR 33 -8.188 -10.666 12.778 245 1HG2 THR 33 1HG2 THR 33 -10.127 -10.112 9.983 246 2HG2 THR 33 2HG2 THR 33 -10.263 -9.267 11.523 247 3HG2 THR 33 3HG2 THR 33 -9.975 -11.005 11.496 248 H ASN 34 H ASN 34 -9.484 -12.429 10.305 249 HA ASN 34 HA ASN 34 -9.878 -14.375 11.456 250 1HB ASN 34 1HB ASN 34 -8.715 -15.022 9.295 251 2HB ASN 34 2HB ASN 34 -7.239 -15.196 10.239 252 1HD2 ASN 34 1HD2 ASN 34 -10.428 -16.459 9.645 253 2HD2 ASN 34 2HD2 ASN 34 -10.184 -17.983 10.420 254 H ILE 35 H ILE 35 -8.725 -12.515 13.164 255 HA ILE 35 HA ILE 35 -7.663 -12.296 15.165 256 HB ILE 35 HB ILE 35 -7.643 -15.297 15.384 257 1HG1 ILE 35 1HG1 ILE 35 -9.860 -14.704 14.561 258 2HG1 ILE 35 2HG1 ILE 35 -9.957 -15.155 16.260 259 1HG2 ILE 35 1HG2 ILE 35 -8.045 -14.809 17.761 260 2HG2 ILE 35 2HG2 ILE 35 -8.005 -13.083 17.401 261 3HG2 ILE 35 3HG2 ILE 35 -6.558 -14.067 17.170 262 1HD1 ILE 35 1HD1 ILE 35 -9.963 -12.352 15.167 263 2HD1 ILE 35 2HD1 ILE 35 -10.038 -12.790 16.872 264 3HD1 ILE 35 3HD1 ILE 35 -11.354 -13.238 15.789 265 H GLN 36 H GLN 36 -5.917 -11.999 13.208 266 HA GLN 36 HA GLN 36 -3.474 -13.150 14.291 267 1HB GLN 36 1HB GLN 36 -4.280 -13.417 11.387 268 2HB GLN 36 2HB GLN 36 -2.651 -13.697 11.985 269 1HG GLN 36 1HG GLN 36 -3.445 -15.524 13.368 270 2HG GLN 36 2HG GLN 36 -5.101 -15.223 12.842 271 1HE2 GLN 36 1HE2 GLN 36 -5.314 -17.292 11.995 272 2HE2 GLN 36 2HE2 GLN 36 -4.529 -17.777 10.535 273 H ALA 37 H ALA 37 -2.056 -11.566 14.552 274 HA ALA 37 HA ALA 37 -2.541 -8.976 13.408 275 1HB ALA 37 1HB ALA 37 -0.685 -8.227 14.765 276 2HB ALA 37 2HB ALA 37 -0.249 -9.898 15.127 277 3HB ALA 37 3HB ALA 37 -1.772 -9.237 15.720 278 H ALA 38 H ALA 38 0.363 -11.043 13.431 279 HA ALA 38 HA ALA 38 2.000 -11.397 11.903 280 1HB ALA 38 1HB ALA 38 1.465 -11.336 9.553 281 2HB ALA 38 2HB ALA 38 0.029 -10.363 9.870 282 3HB ALA 38 3HB ALA 38 0.110 -12.028 10.446 283 H LYS 39 H LYS 39 0.784 -8.765 9.916 284 HA LYS 39 HA LYS 39 3.217 -7.266 10.584 285 1HB LYS 39 1HB LYS 39 1.536 -7.483 8.134 286 2HB LYS 39 2HB LYS 39 2.415 -5.987 8.414 287 1HG LYS 39 1HG LYS 39 3.842 -8.606 8.566 288 2HG LYS 39 2HG LYS 39 3.490 -7.875 7.000 289 1HD LYS 39 1HD LYS 39 5.564 -6.988 7.419 290 2HD LYS 39 2HD LYS 39 4.537 -5.740 8.121 291 1HE LYS 39 1HE LYS 39 6.362 -6.258 9.625 292 2HE LYS 39 2HE LYS 39 4.833 -6.773 10.335 293 1HZ LYS 39 1HZ LYS 39 5.306 -9.034 9.674 294 2HZ LYS 39 2HZ LYS 39 6.583 -8.435 10.608 295 3HZ LYS 39 3HZ LYS 39 6.748 -8.555 8.929 296 H ASN 40 H ASN 40 -0.143 -6.489 9.621 297 HA ASN 40 HA ASN 40 -0.070 -4.288 11.574 298 1HB ASN 40 1HB ASN 40 -1.639 -3.097 9.889 299 2HB ASN 40 2HB ASN 40 0.095 -3.102 9.577 300 1HD2 ASN 40 1HD2 ASN 40 -1.972 -5.892 9.137 301 2HD2 ASN 40 2HD2 ASN 40 -1.862 -5.940 7.414 302 H GLY 41 H GLY 41 -1.436 -7.150 10.985 303 1HA GLY 41 1HA GLY 41 -3.207 -7.865 12.487 304 2HA GLY 41 2HA GLY 41 -3.981 -6.314 12.221 305 H ALA 42 H ALA 42 -2.899 -7.103 9.275 306 HA ALA 42 HA ALA 42 -5.512 -8.023 8.420 307 1HB ALA 42 1HB ALA 42 -3.042 -7.269 6.866 308 2HB ALA 42 2HB ALA 42 -4.474 -6.275 7.137 309 3HB ALA 42 3HB ALA 42 -4.584 -7.727 6.144 310 H ASP 43 H ASP 43 -2.238 -9.094 7.485 311 HA ASP 43 HA ASP 43 -2.589 -11.778 8.221 312 1HB ASP 43 1HB ASP 43 -4.320 -11.605 6.388 313 2HB ASP 43 2HB ASP 43 -2.989 -11.368 5.259 314 H MET 44 H MET 44 -0.999 -9.455 6.111 315 HA MET 44 HA MET 44 1.210 -9.135 5.644 316 1HB MET 44 1HB MET 44 2.075 -9.721 7.702 317 2HB MET 44 2HB MET 44 1.433 -11.353 7.639 318 1HG MET 44 1HG MET 44 3.127 -12.022 6.078 319 2HG MET 44 2HG MET 44 3.717 -10.367 5.949 320 1HE MET 44 1HE MET 44 6.199 -11.507 6.447 321 2HE MET 44 2HE MET 44 5.395 -13.064 6.627 322 3HE MET 44 3HE MET 44 6.500 -12.493 7.876 323 H SER 45 H SER 45 0.825 -12.696 5.730 324 HA SER 45 HA SER 45 2.307 -13.168 3.411 325 1HB SER 45 1HB SER 45 1.237 -15.397 3.396 326 2HB SER 45 2HB SER 45 1.786 -14.946 5.010 327 HG SER 45 HG SER 45 -0.482 -15.833 4.626 328 H GLN 46 H GLN 46 -1.188 -12.695 3.853 329 HA GLN 46 HA GLN 46 -1.620 -12.897 0.989 330 1HB GLN 46 1HB GLN 46 -3.221 -13.763 2.824 331 2HB GLN 46 2HB GLN 46 -3.713 -12.082 2.988 332 1HG GLN 46 1HG GLN 46 -5.152 -13.477 1.494 333 2HG GLN 46 2HG GLN 46 -4.518 -12.006 0.759 334 1HE2 GLN 46 1HE2 GLN 46 -2.841 -12.176 -0.774 335 2HE2 GLN 46 2HE2 GLN 46 -2.537 -13.652 -1.621 336 H LEU 47 H LEU 47 -1.359 -10.458 3.462 337 HA LEU 47 HA LEU 47 -2.479 -8.252 2.215 338 1HB LEU 47 1HB LEU 47 -1.474 -8.472 4.561 339 2HB LEU 47 2HB LEU 47 0.079 -8.186 3.813 340 HG LEU 47 HG LEU 47 -0.781 -6.166 4.860 341 1HD1 LEU 47 1HD1 LEU 47 -0.932 -5.806 1.881 342 2HD1 LEU 47 2HD1 LEU 47 0.580 -6.057 2.752 343 3HD1 LEU 47 3HD1 LEU 47 -0.412 -4.639 3.096 344 1HD2 LEU 47 1HD2 LEU 47 -2.772 -5.052 3.982 345 2HD2 LEU 47 2HD2 LEU 47 -3.144 -6.619 4.699 346 3HD2 LEU 47 3HD2 LEU 47 -3.082 -6.446 2.948 347 H GLY 48 H GLY 48 0.778 -9.592 1.904 348 1HA GLY 48 1HA GLY 48 1.759 -7.592 0.159 349 2HA GLY 48 2HA GLY 48 2.443 -9.199 0.378 350 H CYS 49 H CYS 49 -0.778 -9.489 -0.455 351 HA CYS 49 HA CYS 49 -0.212 -9.550 -3.328 352 1HB CYS 49 1HB CYS 49 -1.158 -11.763 -1.590 353 2HB CYS 49 2HB CYS 49 -1.816 -11.646 -3.215 354 H LEU 50 H LEU 50 -2.968 -10.500 -1.327 355 HA LEU 50 HA LEU 50 -5.005 -9.600 -2.903 356 1HB LEU 50 1HB LEU 50 -5.032 -10.836 -0.637 357 2HB LEU 50 2HB LEU 50 -5.051 -9.247 0.080 358 HG LEU 50 HG LEU 50 -7.290 -10.205 -0.018 359 1HD1 LEU 50 1HD1 LEU 50 -7.020 -7.908 -1.945 360 2HD1 LEU 50 2HD1 LEU 50 -7.008 -7.765 -0.187 361 3HD1 LEU 50 3HD1 LEU 50 -8.453 -8.346 -1.015 362 1HD2 LEU 50 1HD2 LEU 50 -6.996 -11.621 -1.978 363 2HD2 LEU 50 2HD2 LEU 50 -6.915 -10.190 -3.007 364 3HD2 LEU 50 3HD2 LEU 50 -8.407 -10.578 -2.149 365 H LYS 51 H LYS 51 -3.363 -7.786 -0.330 366 HA LYS 51 HA LYS 51 -4.687 -5.338 -0.993 367 1HB LYS 51 1HB LYS 51 -3.845 -5.858 1.291 368 2HB LYS 51 2HB LYS 51 -2.202 -5.772 0.680 369 1HG LYS 51 1HG LYS 51 -2.731 -3.718 1.786 370 2HG LYS 51 2HG LYS 51 -2.596 -3.415 0.054 371 1HD LYS 51 1HD LYS 51 -5.066 -3.560 -0.116 372 2HD LYS 51 2HD LYS 51 -5.141 -3.730 1.640 373 1HE LYS 51 1HE LYS 51 -5.565 -1.427 0.975 374 2HE LYS 51 2HE LYS 51 -4.067 -1.548 1.898 375 1HZ LYS 51 1HZ LYS 51 -2.835 -1.504 -0.193 376 2HZ LYS 51 2HZ LYS 51 -3.784 -0.115 -0.013 377 3HZ LYS 51 3HZ LYS 51 -4.279 -1.348 -1.059 378 H ALA 52 H ALA 52 -1.885 -7.047 -2.083 379 HA ALA 52 HA ALA 52 -0.426 -4.806 -3.103 380 1HB ALA 52 1HB ALA 52 -0.294 -7.689 -3.989 381 2HB ALA 52 2HB ALA 52 0.612 -7.002 -2.642 382 3HB ALA 52 3HB ALA 52 0.912 -6.437 -4.286 383 H CYS 53 H CYS 53 -3.183 -6.545 -4.125 384 HA CYS 53 HA CYS 53 -3.063 -6.211 -6.902 385 1HB CYS 53 1HB CYS 53 -4.733 -7.673 -6.190 386 2HB CYS 53 2HB CYS 53 -5.296 -6.577 -4.932 387 H VAL 54 H VAL 54 -4.036 -4.061 -4.320 388 HA VAL 54 HA VAL 54 -5.272 -2.076 -5.908 389 HB VAL 54 HB VAL 54 -3.857 -1.680 -3.267 390 1HG1 VAL 54 1HG1 VAL 54 -4.378 0.402 -4.403 391 2HG1 VAL 54 2HG1 VAL 54 -5.421 0.194 -2.996 392 3HG1 VAL 54 3HG1 VAL 54 -6.052 -0.110 -4.613 393 1HG2 VAL 54 1HG2 VAL 54 -6.686 -2.542 -3.854 394 2HG2 VAL 54 2HG2 VAL 54 -6.116 -2.003 -2.274 395 3HG2 VAL 54 3HG2 VAL 54 -5.445 -3.461 -3.004 396 H MET 55 H MET 55 -1.963 -2.838 -5.200 397 HA MET 55 HA MET 55 -0.829 -0.329 -5.886 398 1HB MET 55 1HB MET 55 0.405 -3.089 -5.923 399 2HB MET 55 2HB MET 55 1.297 -1.577 -6.035 400 1HG MET 55 1HG MET 55 0.202 -1.003 -3.786 401 2HG MET 55 2HG MET 55 -0.177 -2.722 -3.696 402 1HE MET 55 1HE MET 55 2.459 -3.955 -5.195 403 2HE MET 55 2HE MET 55 1.636 -4.624 -3.786 404 3HE MET 55 3HE MET 55 3.378 -4.352 -3.743 405 H LYS 56 H LYS 56 -1.138 -3.384 -7.700 406 HA LYS 56 HA LYS 56 -0.166 -2.204 -10.122 407 1HB LYS 56 1HB LYS 56 -1.077 -4.411 -11.108 408 2HB LYS 56 2HB LYS 56 0.280 -4.486 -9.995 409 1HG LYS 56 1HG LYS 56 -1.096 -5.239 -8.223 410 2HG LYS 56 2HG LYS 56 -2.566 -4.888 -9.131 411 1HD LYS 56 1HD LYS 56 -2.098 -6.645 -10.692 412 2HD LYS 56 2HD LYS 56 -0.498 -6.903 -9.994 413 1HE LYS 56 1HE LYS 56 -1.454 -7.721 -7.956 414 2HE LYS 56 2HE LYS 56 -3.077 -7.284 -8.486 415 1HZ LYS 56 1HZ LYS 56 -2.651 -9.654 -8.739 416 2HZ LYS 56 2HZ LYS 56 -1.343 -9.332 -9.760 417 3HZ LYS 56 3HZ LYS 56 -2.912 -8.926 -10.243 418 H ARG 57 H ARG 57 -3.160 -2.267 -8.538 419 HA ARG 57 HA ARG 57 -4.887 -2.172 -10.798 420 1HB ARG 57 1HB ARG 57 -5.665 -2.773 -8.531 421 2HB ARG 57 2HB ARG 57 -5.337 -1.132 -7.992 422 1HG ARG 57 1HG ARG 57 -7.606 -1.082 -8.366 423 2HG ARG 57 2HG ARG 57 -6.973 -0.452 -9.888 424 1HD ARG 57 1HD ARG 57 -7.818 -3.302 -9.364 425 2HD ARG 57 2HD ARG 57 -8.750 -2.100 -10.254 426 HE ARG 57 HE ARG 57 -6.523 -2.120 -11.681 427 1HH1 ARG 57 1HH1 ARG 57 -8.317 -4.789 -10.339 428 2HH1 ARG 57 2HH1 ARG 57 -7.873 -5.890 -11.600 429 1HH2 ARG 57 1HH2 ARG 57 -5.936 -3.564 -13.349 430 2HH2 ARG 57 2HH2 ARG 57 -6.521 -5.193 -13.311 431 H ILE 58 H ILE 58 -3.025 0.198 -9.041 432 HA ILE 58 HA ILE 58 -4.230 2.356 -10.629 433 HB ILE 58 HB ILE 58 -3.183 3.909 -9.039 434 1HG1 ILE 58 1HG1 ILE 58 -2.393 1.428 -7.495 435 2HG1 ILE 58 2HG1 ILE 58 -1.274 2.420 -8.424 436 1HG2 ILE 58 1HG2 ILE 58 -4.634 3.414 -7.134 437 2HG2 ILE 58 2HG2 ILE 58 -4.854 1.768 -7.727 438 3HG2 ILE 58 3HG2 ILE 58 -5.464 3.132 -8.663 439 1HD1 ILE 58 1HD1 ILE 58 -2.870 3.308 -6.032 440 2HD1 ILE 58 2HD1 ILE 58 -1.776 4.323 -6.971 441 3HD1 ILE 58 3HD1 ILE 58 -1.144 2.947 -6.068 442 H GLU 59 H GLU 59 -2.199 0.399 -11.569 443 HA GLU 59 HA GLU 59 -0.318 0.346 -12.840 444 1HB GLU 59 1HB GLU 59 -1.051 3.257 -13.071 445 2HB GLU 59 2HB GLU 59 0.318 2.567 -13.930 446 1HG GLU 59 1HG GLU 59 -2.537 1.649 -14.190 447 2HG GLU 59 2HG GLU 59 -1.701 2.717 -15.317 448 H MET 60 H MET 60 0.554 -0.041 -10.506 449 HA MET 60 HA MET 60 2.893 1.696 -10.223 450 1HB MET 60 1HB MET 60 1.020 2.288 -8.563 451 2HB MET 60 2HB MET 60 1.387 0.751 -7.791 452 1HG MET 60 1HG MET 60 3.625 2.636 -8.300 453 2HG MET 60 2HG MET 60 2.493 3.009 -7.004 454 1HE MET 60 1HE MET 60 2.245 1.621 -4.789 455 2HE MET 60 2HE MET 60 2.884 -0.012 -4.600 456 3HE MET 60 3HE MET 60 1.644 0.317 -5.811 457 H LEU 61 H LEU 61 1.520 -1.353 -10.388 458 HA LEU 61 HA LEU 61 4.056 -2.595 -9.618 459 1HB LEU 61 1HB LEU 61 2.680 -3.031 -7.745 460 2HB LEU 61 2HB LEU 61 1.296 -3.413 -8.743 461 HG LEU 61 HG LEU 61 2.553 -5.444 -9.549 462 1HD1 LEU 61 1HD1 LEU 61 4.413 -6.230 -8.187 463 2HD1 LEU 61 2HD1 LEU 61 4.381 -4.726 -7.266 464 3HD1 LEU 61 3HD1 LEU 61 4.799 -4.703 -8.979 465 1HD2 LEU 61 1HD2 LEU 61 2.000 -5.279 -6.590 466 2HD2 LEU 61 2HD2 LEU 61 2.064 -6.750 -7.558 467 3HD2 LEU 61 3HD2 LEU 61 0.794 -5.560 -7.846 468 H LYS 62 H LYS 62 4.747 -3.074 -11.660 469 HA LYS 62 HA LYS 62 2.907 -4.405 -13.495 470 1HB LYS 62 1HB LYS 62 5.496 -2.984 -13.765 471 2HB LYS 62 2HB LYS 62 5.203 -4.303 -14.890 472 1HG LYS 62 1HG LYS 62 4.227 -2.720 -16.132 473 2HG LYS 62 2HG LYS 62 2.854 -2.966 -15.054 474 1HD LYS 62 1HD LYS 62 5.018 -0.980 -14.436 475 2HD LYS 62 2HD LYS 62 3.641 -0.563 -15.456 476 1HE LYS 62 1HE LYS 62 2.127 -1.217 -13.620 477 2HE LYS 62 2HE LYS 62 3.531 -1.546 -12.607 478 1HZ LYS 62 1HZ LYS 62 2.686 0.623 -12.113 479 2HZ LYS 62 2HZ LYS 62 2.744 1.083 -13.740 480 3HZ LYS 62 3HZ LYS 62 4.180 0.799 -12.889 481 H GLY 63 H GLY 63 2.805 -6.307 -12.097 482 1HA GLY 63 1HA GLY 63 3.289 -8.557 -11.887 483 2HA GLY 63 2HA GLY 63 4.656 -8.324 -12.966 484 H THR 64 H THR 64 6.356 -6.754 -11.804 485 HA THR 64 HA THR 64 6.713 -7.441 -9.008 486 HB THR 64 HB THR 64 8.995 -8.301 -9.337 487 HG1 THR 64 1HG THR 64 9.882 -8.421 -11.299 488 1HG2 THR 64 1HG2 THR 64 8.431 -10.490 -10.219 489 2HG2 THR 64 2HG2 THR 64 6.984 -9.838 -10.985 490 3HG2 THR 64 3HG2 THR 64 7.104 -9.888 -9.227 491 H GLU 65 H GLU 65 6.704 -5.181 -11.306 492 HA GLU 65 HA GLU 65 9.063 -3.698 -10.440 493 1HB GLU 65 1HB GLU 65 6.976 -2.950 -12.494 494 2HB GLU 65 2HB GLU 65 8.532 -2.171 -12.246 495 1HG GLU 65 1HG GLU 65 9.666 -4.240 -12.919 496 2HG GLU 65 2HG GLU 65 8.096 -4.992 -13.201 497 H LEU 66 H LEU 66 9.001 -2.023 -9.046 498 HA LEU 66 HA LEU 66 6.344 -1.041 -8.231 499 1HB LEU 66 1HB LEU 66 8.896 -1.363 -6.673 500 2HB LEU 66 2HB LEU 66 7.577 -0.358 -6.103 501 HG LEU 66 HG LEU 66 7.333 -3.309 -6.697 502 1HD1 LEU 66 1HD1 LEU 66 7.670 -1.864 -4.072 503 2HD1 LEU 66 2HD1 LEU 66 8.820 -2.972 -4.821 504 3HD1 LEU 66 3HD1 LEU 66 7.263 -3.571 -4.249 505 1HD2 LEU 66 1HD2 LEU 66 5.237 -2.082 -6.924 506 2HD2 LEU 66 2HD2 LEU 66 5.467 -1.374 -5.326 507 3HD2 LEU 66 3HD2 LEU 66 5.210 -3.112 -5.492 508 H TYR 67 H TYR 67 5.908 0.895 -9.023 509 HA TYR 67 HA TYR 67 8.111 2.792 -9.462 510 1HB TYR 67 1HB TYR 67 5.346 2.641 -10.673 511 2HB TYR 67 2HB TYR 67 6.461 3.977 -10.944 512 HD1 TYR 67 1HD TYR 67 5.835 0.408 -11.580 513 HD2 TYR 67 2HD TYR 67 8.344 3.739 -12.420 514 HE1 TYR 67 1HE TYR 67 6.854 -0.837 -13.439 515 HE2 TYR 67 2HE TYR 67 9.369 2.504 -14.282 516 HH TYR 67 HH TYR 67 8.059 -0.358 -15.534 517 H VAL 68 H VAL 68 7.172 5.179 -9.381 518 HA VAL 68 HA VAL 68 5.536 5.491 -6.967 519 HB VAL 68 HB VAL 68 7.101 7.459 -6.423 520 1HG1 VAL 68 1HG1 VAL 68 6.896 5.419 -5.071 521 2HG1 VAL 68 2HG1 VAL 68 8.548 6.036 -5.089 522 3HG1 VAL 68 3HG1 VAL 68 8.116 4.643 -6.080 523 1HG2 VAL 68 1HG2 VAL 68 8.352 7.449 -8.512 524 2HG2 VAL 68 2HG2 VAL 68 8.937 5.822 -8.163 525 3HG2 VAL 68 3HG2 VAL 68 9.423 7.172 -7.139 526 H GLU 69 H GLU 69 5.062 5.862 -9.901 527 HA GLU 69 HA GLU 69 4.888 8.706 -10.291 528 1HB GLU 69 1HB GLU 69 3.733 6.441 -11.926 529 2HB GLU 69 2HB GLU 69 3.766 8.131 -12.409 530 1HG GLU 69 1HG GLU 69 6.212 8.087 -12.373 531 2HG GLU 69 2HG GLU 69 6.167 6.387 -11.910 532 HA PRO 70 HA PRO 70 0.180 7.909 -9.729 533 1HB PRO 70 1HB PRO 70 -0.647 5.586 -8.626 534 2HB PRO 70 2HB PRO 70 -0.399 5.780 -10.364 535 1HG PRO 70 1HG PRO 70 1.380 4.510 -8.327 536 2HG PRO 70 2HG PRO 70 1.012 3.986 -9.979 537 1HD PRO 70 1HD PRO 70 3.302 5.302 -9.282 538 2HD PRO 70 2HD PRO 70 2.579 5.372 -10.899 539 H VAL 71 H VAL 71 2.161 6.307 -7.246 540 HA VAL 71 HA VAL 71 0.543 7.003 -5.042 541 HB VAL 71 HB VAL 71 3.534 6.648 -4.917 542 1HG1 VAL 71 1HG1 VAL 71 3.165 5.927 -2.683 543 2HG1 VAL 71 2HG1 VAL 71 1.418 5.882 -2.920 544 3HG1 VAL 71 3HG1 VAL 71 2.265 7.428 -2.901 545 1HG2 VAL 71 1HG2 VAL 71 1.403 4.518 -5.033 546 2HG2 VAL 71 2HG2 VAL 71 3.085 4.236 -4.581 547 3HG2 VAL 71 3HG2 VAL 71 2.691 4.796 -6.206 548 H TYR 72 H TYR 72 3.385 8.595 -6.452 549 HA TYR 72 HA TYR 72 3.542 10.687 -4.592 550 1HB TYR 72 1HB TYR 72 4.459 10.379 -7.437 551 2HB TYR 72 2HB TYR 72 4.654 11.910 -6.598 552 HD1 TYR 72 1HD TYR 72 7.098 11.620 -7.016 553 HD2 TYR 72 2HD TYR 72 4.916 8.935 -4.536 554 HE1 TYR 72 1HE TYR 72 9.205 10.822 -6.035 555 HE2 TYR 72 2HE TYR 72 7.017 8.133 -3.549 556 HH TYR 72 HH TYR 72 9.373 8.029 -4.066 557 H LYS 73 H LYS 73 1.327 10.085 -7.145 558 HA LYS 73 HA LYS 73 0.480 12.827 -7.435 559 1HB LYS 73 1HB LYS 73 0.392 11.204 -9.315 560 2HB LYS 73 2HB LYS 73 -0.849 10.309 -8.447 561 1HG LYS 73 1HG LYS 73 -1.958 11.654 -10.044 562 2HG LYS 73 2HG LYS 73 -2.235 12.402 -8.470 563 1HD LYS 73 1HD LYS 73 -0.203 13.861 -9.015 564 2HD LYS 73 2HD LYS 73 -0.396 13.288 -10.673 565 1HE LYS 73 1HE LYS 73 -2.426 14.788 -9.025 566 2HE LYS 73 2HE LYS 73 -1.530 15.404 -10.412 567 1HZ LYS 73 1HZ LYS 73 -2.647 13.770 -11.806 568 2HZ LYS 73 2HZ LYS 73 -3.771 14.770 -11.033 569 3HZ LYS 73 3HZ LYS 73 -3.515 13.195 -10.473 570 H MET 74 H MET 74 -0.920 9.864 -5.993 571 HA MET 74 HA MET 74 -3.245 11.256 -5.076 572 1HB MET 74 1HB MET 74 -3.682 9.146 -3.788 573 2HB MET 74 2HB MET 74 -3.521 8.937 -5.525 574 1HG MET 74 1HG MET 74 -1.362 8.008 -5.303 575 2HG MET 74 2HG MET 74 -1.261 8.468 -3.603 576 1HE MET 74 1HE MET 74 -0.559 5.525 -4.565 577 2HE MET 74 2HE MET 74 -1.388 4.583 -3.324 578 3HE MET 74 3HE MET 74 -0.526 6.059 -2.885 579 H ILE 75 H ILE 75 -0.154 10.340 -3.687 580 HA ILE 75 HA ILE 75 -0.607 10.696 -0.999 581 HB ILE 75 HB ILE 75 1.783 11.174 -2.735 582 1HG1 ILE 75 1HG1 ILE 75 1.265 9.369 -0.362 583 2HG1 ILE 75 2HG1 ILE 75 1.163 8.891 -2.054 584 1HG2 ILE 75 1HG2 ILE 75 3.135 11.697 -0.725 585 2HG2 ILE 75 2HG2 ILE 75 1.640 11.874 0.192 586 3HG2 ILE 75 3HG2 ILE 75 1.986 12.964 -1.147 587 1HD1 ILE 75 1HD1 ILE 75 3.541 9.303 -2.325 588 2HD1 ILE 75 2HD1 ILE 75 3.245 8.158 -1.018 589 3HD1 ILE 75 3HD1 ILE 75 3.652 9.832 -0.647 590 H GLU 76 H GLU 76 -0.538 13.044 -3.526 591 HA GLU 76 HA GLU 76 -0.016 15.386 -2.096 592 1HB GLU 76 1HB GLU 76 -1.824 14.994 -4.487 593 2HB GLU 76 2HB GLU 76 -1.240 16.549 -3.908 594 1HG GLU 76 1HG GLU 76 1.086 15.732 -4.292 595 2HG GLU 76 2HG GLU 76 0.396 14.295 -5.044 596 H VAL 77 H VAL 77 -3.239 14.098 -2.989 597 HA VAL 77 HA VAL 77 -4.505 15.870 -1.065 598 HB VAL 77 HB VAL 77 -5.820 13.755 -2.772 599 1HG1 VAL 77 1HG1 VAL 77 -7.186 14.559 -0.924 600 2HG1 VAL 77 2HG1 VAL 77 -7.827 15.128 -2.466 601 3HG1 VAL 77 3HG1 VAL 77 -6.915 16.226 -1.431 602 1HG2 VAL 77 1HG2 VAL 77 -5.307 16.660 -3.404 603 2HG2 VAL 77 2HG2 VAL 77 -6.322 15.575 -4.354 604 3HG2 VAL 77 3HG2 VAL 77 -4.592 15.268 -4.215 605 H VAL 78 H VAL 78 -3.495 12.596 -1.301 606 HA VAL 78 HA VAL 78 -5.167 11.446 0.666 607 HB VAL 78 HB VAL 78 -2.546 10.613 -0.575 608 1HG1 VAL 78 1HG1 VAL 78 -4.091 9.115 1.547 609 2HG1 VAL 78 2HG1 VAL 78 -2.452 9.749 1.690 610 3HG1 VAL 78 3HG1 VAL 78 -2.793 8.434 0.567 611 1HG2 VAL 78 1HG2 VAL 78 -3.928 8.837 -1.533 612 2HG2 VAL 78 2HG2 VAL 78 -4.548 10.437 -1.941 613 3HG2 VAL 78 3HG2 VAL 78 -5.337 9.480 -0.689 614 H HIS 79 H HIS 79 -2.814 13.754 0.947 615 HA HIS 79 HA HIS 79 -2.548 13.263 3.813 616 1HB HIS 79 1HB HIS 79 -0.229 13.922 1.982 617 2HB HIS 79 2HB HIS 79 -0.157 13.931 3.739 618 HD1 HIS 79 1HD HIS 79 -0.055 11.667 4.942 619 HD2 HIS 79 2HD HIS 79 -0.332 11.351 0.808 620 HE1 HIS 79 1HE HIS 79 0.428 9.255 4.418 621 HE2 HIS 79 2HE HIS 79 0.304 9.097 1.907 622 H ALA 80 H ALA 80 -4.324 14.991 2.628 623 HA ALA 80 HA ALA 80 -3.425 17.623 2.266 624 1HB ALA 80 1HB ALA 80 -5.631 16.868 1.549 625 2HB ALA 80 2HB ALA 80 -5.755 18.278 2.600 626 3HB ALA 80 3HB ALA 80 -6.120 16.673 3.233 627 H GLY 81 H GLY 81 -2.963 19.254 3.627 628 1HA GLY 81 1HA GLY 81 -3.689 20.163 5.924 629 2HA GLY 81 2HA GLY 81 -3.025 18.643 6.506 630 H ASN 82 H ASN 82 -0.714 18.247 5.471 631 HA ASN 82 HA ASN 82 0.821 20.731 5.890 632 1HB ASN 82 1HB ASN 82 0.958 18.661 7.548 633 2HB ASN 82 2HB ASN 82 2.062 18.053 6.323 634 1HD2 ASN 82 1HD2 ASN 82 3.822 18.159 7.690 635 2HD2 ASN 82 2HD2 ASN 82 4.551 19.659 8.143 636 H ALA 83 H ALA 83 2.202 21.343 4.335 637 HA ALA 83 HA ALA 83 2.171 20.055 1.810 638 1HB ALA 83 1HB ALA 83 4.036 22.209 2.800 639 2HB ALA 83 2HB ALA 83 2.452 22.481 2.074 640 3HB ALA 83 3HB ALA 83 3.749 21.765 1.116 641 H ASP 84 H ASP 84 4.301 19.885 4.568 642 HA ASP 84 HA ASP 84 6.376 18.513 3.086 643 1HB ASP 84 1HB ASP 84 6.166 18.826 6.083 644 2HB ASP 84 2HB ASP 84 7.598 18.417 5.138 645 H ASP 85 H ASP 85 3.540 17.676 4.885 646 HA ASP 85 HA ASP 85 4.258 15.062 5.661 647 1HB ASP 85 1HB ASP 85 2.167 16.360 6.370 648 2HB ASP 85 2HB ASP 85 1.480 15.905 4.814 649 H ILE 86 H ILE 86 3.457 16.543 2.692 650 HA ILE 86 HA ILE 86 2.968 14.092 1.239 651 HB ILE 86 HB ILE 86 3.321 16.950 0.303 652 1HG1 ILE 86 1HG1 ILE 86 0.802 15.290 0.498 653 2HG1 ILE 86 2HG1 ILE 86 1.307 16.457 1.715 654 1HG2 ILE 86 1HG2 ILE 86 2.486 16.225 -1.848 655 2HG2 ILE 86 2HG2 ILE 86 2.341 14.570 -1.262 656 3HG2 ILE 86 3HG2 ILE 86 3.932 15.307 -1.428 657 1HD1 ILE 86 1HD1 ILE 86 -0.369 17.397 0.239 658 2HD1 ILE 86 2HD1 ILE 86 0.657 17.070 -1.158 659 3HD1 ILE 86 3HD1 ILE 86 1.168 18.243 0.057 660 H GLN 87 H GLN 87 5.564 16.307 1.924 661 HA GLN 87 HA GLN 87 7.333 15.273 -0.096 662 1HB GLN 87 1HB GLN 87 7.852 17.135 2.219 663 2HB GLN 87 2HB GLN 87 9.010 16.760 0.951 664 1HG GLN 87 1HG GLN 87 6.394 18.197 0.675 665 2HG GLN 87 2HG GLN 87 8.009 18.868 0.480 666 1HE2 GLN 87 1HE2 GLN 87 9.174 18.425 -1.386 667 2HE2 GLN 87 2HE2 GLN 87 8.429 17.786 -2.809 668 H LEU 88 H LEU 88 6.547 14.497 3.158 669 HA LEU 88 HA LEU 88 9.039 13.134 3.703 670 1HB LEU 88 1HB LEU 88 7.716 14.289 5.473 671 2HB LEU 88 2HB LEU 88 6.462 13.080 5.269 672 HG LEU 88 HG LEU 88 8.166 11.338 5.903 673 1HD1 LEU 88 1HD1 LEU 88 10.151 12.106 7.115 674 2HD1 LEU 88 2HD1 LEU 88 9.761 13.773 6.690 675 3HD1 LEU 88 3HD1 LEU 88 10.179 12.614 5.427 676 1HD2 LEU 88 1HD2 LEU 88 7.566 13.468 7.953 677 2HD2 LEU 88 2HD2 LEU 88 7.986 11.787 8.288 678 3HD2 LEU 88 3HD2 LEU 88 6.473 12.171 7.466 679 H VAL 89 H VAL 89 5.637 12.088 3.588 680 HA VAL 89 HA VAL 89 6.082 9.354 3.621 681 HB VAL 89 HB VAL 89 3.842 9.092 2.710 682 1HG1 VAL 89 1HG1 VAL 89 4.162 9.805 5.065 683 2HG1 VAL 89 2HG1 VAL 89 2.624 10.322 4.381 684 3HG1 VAL 89 3HG1 VAL 89 3.943 11.477 4.551 685 1HG2 VAL 89 1HG2 VAL 89 2.558 11.092 2.004 686 2HG2 VAL 89 2HG2 VAL 89 3.894 10.700 0.922 687 3HG2 VAL 89 3HG2 VAL 89 4.051 12.029 2.070 688 H LYS 90 H LYS 90 6.250 11.601 0.942 689 HA LYS 90 HA LYS 90 6.139 9.822 -1.201 690 1HB LYS 90 1HB LYS 90 6.764 12.555 -0.785 691 2HB LYS 90 2HB LYS 90 8.061 11.868 -1.750 692 1HG LYS 90 1HG LYS 90 6.738 11.542 -3.553 693 2HG LYS 90 2HG LYS 90 5.310 11.198 -2.579 694 1HD LYS 90 1HD LYS 90 4.819 13.446 -2.271 695 2HD LYS 90 2HD LYS 90 6.456 13.954 -2.682 696 1HE LYS 90 1HE LYS 90 6.065 13.286 -5.011 697 2HE LYS 90 2HE LYS 90 4.423 12.803 -4.587 698 1HZ LYS 90 1HZ LYS 90 5.523 15.555 -4.381 699 2HZ LYS 90 2HZ LYS 90 3.947 15.093 -3.976 700 3HZ LYS 90 3HZ LYS 90 4.468 15.000 -5.583 701 H GLY 91 H GLY 91 8.873 10.830 0.807 702 1HA GLY 91 1HA GLY 91 10.762 9.222 -0.666 703 2HA GLY 91 2HA GLY 91 11.074 10.096 0.830 704 H ILE 92 H ILE 92 8.552 8.701 1.901 705 HA ILE 92 HA ILE 92 9.902 6.602 3.244 706 HB ILE 92 HB ILE 92 6.989 7.315 3.085 707 1HG1 ILE 92 1HG1 ILE 92 9.031 7.611 5.230 708 2HG1 ILE 92 2HG1 ILE 92 8.375 8.909 4.260 709 1HG2 ILE 92 1HG2 ILE 92 6.677 5.755 5.001 710 2HG2 ILE 92 2HG2 ILE 92 8.298 5.140 4.682 711 3HG2 ILE 92 3HG2 ILE 92 7.032 4.961 3.469 712 1HD1 ILE 92 1HD1 ILE 92 6.916 7.243 6.295 713 2HD1 ILE 92 2HD1 ILE 92 6.155 8.442 5.246 714 3HD1 ILE 92 3HD1 ILE 92 7.362 8.945 6.431 715 H ALA 93 H ALA 93 7.598 6.688 0.562 716 HA ALA 93 HA ALA 93 7.161 3.936 0.309 717 1HB ALA 93 1HB ALA 93 6.403 4.415 -1.942 718 2HB ALA 93 2HB ALA 93 7.189 5.994 -1.895 719 3HB ALA 93 3HB ALA 93 5.824 5.656 -0.830 720 H ASN 94 H ASN 94 9.964 5.766 -0.311 721 HA ASN 94 HA ASN 94 11.096 4.152 -2.372 722 1HB ASN 94 1HB ASN 94 11.824 6.458 -2.014 723 2HB ASN 94 2HB ASN 94 12.414 6.040 -0.410 724 1HD2 ASN 94 1HD2 ASN 94 12.961 5.791 -3.822 725 2HD2 ASN 94 2HD2 ASN 94 14.589 5.220 -3.725 726 H GLU 95 H GLU 95 11.613 4.336 1.143 727 HA GLU 95 HA GLU 95 13.566 2.349 1.345 728 1HB GLU 95 1HB GLU 95 13.037 3.897 3.166 729 2HB GLU 95 2HB GLU 95 11.455 3.153 3.358 730 1HG GLU 95 1HG GLU 95 13.006 2.403 5.071 731 2HG GLU 95 2HG GLU 95 12.495 1.068 4.039 732 H CYS 96 H CYS 96 10.194 2.087 0.744 733 HA CYS 96 HA CYS 96 10.002 -0.662 1.645 734 1HB CYS 96 1HB CYS 96 7.976 0.941 0.078 735 2HB CYS 96 2HB CYS 96 7.686 -0.526 1.007 736 H ILE 97 H ILE 97 10.163 1.091 -1.423 737 HA ILE 97 HA ILE 97 9.699 -1.171 -3.077 738 HB ILE 97 HB ILE 97 11.002 1.481 -3.690 739 1HG1 ILE 97 1HG1 ILE 97 8.254 0.418 -4.374 740 2HG1 ILE 97 2HG1 ILE 97 8.597 1.509 -3.036 741 1HG2 ILE 97 1HG2 ILE 97 11.824 -0.123 -5.279 742 2HG2 ILE 97 2HG2 ILE 97 10.614 0.886 -6.071 743 3HG2 ILE 97 3HG2 ILE 97 10.199 -0.747 -5.554 744 1HD1 ILE 97 1HD1 ILE 97 7.719 2.726 -4.927 745 2HD1 ILE 97 2HD1 ILE 97 9.000 2.095 -5.959 746 3HD1 ILE 97 3HD1 ILE 97 9.394 3.188 -4.632 747 H GLU 98 H GLU 98 12.645 0.420 -1.923 748 HA GLU 98 HA GLU 98 14.467 -1.059 -3.469 749 1HB GLU 98 1HB GLU 98 14.861 0.259 -0.780 750 2HB GLU 98 2HB GLU 98 16.156 -0.318 -1.822 751 1HG GLU 98 1HG GLU 98 14.189 1.869 -2.464 752 2HG GLU 98 2HG GLU 98 15.886 2.077 -2.035 753 H ASN 99 H ASN 99 12.638 -1.968 -0.696 754 HA ASN 99 HA ASN 99 14.378 -4.298 -0.284 755 1HB ASN 99 1HB ASN 99 13.878 -4.254 1.927 756 2HB ASN 99 2HB ASN 99 13.561 -2.560 1.588 757 1HD2 ASN 99 1HD2 ASN 99 11.456 -1.820 1.529 758 2HD2 ASN 99 2HD2 ASN 99 10.134 -2.741 2.153 759 H ALA 100 H ALA 100 11.491 -3.407 -1.741 760 HA ALA 100 HA ALA 100 10.261 -6.035 -1.303 761 1HB ALA 100 1HB ALA 100 9.126 -3.536 -2.548 762 2HB ALA 100 2HB ALA 100 8.803 -4.143 -0.924 763 3HB ALA 100 3HB ALA 100 8.254 -5.053 -2.332 764 H LYS 101 H LYS 101 11.744 -4.062 -3.767 765 HA LYS 101 HA LYS 101 10.864 -5.630 -5.989 766 1HB LYS 101 1HB LYS 101 11.858 -4.058 -7.268 767 2HB LYS 101 2HB LYS 101 11.898 -3.149 -5.764 768 1HG LYS 101 1HG LYS 101 14.139 -4.849 -6.810 769 2HG LYS 101 2HG LYS 101 14.030 -3.100 -6.994 770 1HD LYS 101 1HD LYS 101 14.886 -2.789 -4.962 771 2HD LYS 101 2HD LYS 101 13.656 -3.831 -4.242 772 1HE LYS 101 1HE LYS 101 15.914 -4.658 -3.779 773 2HE LYS 101 2HE LYS 101 14.996 -5.802 -4.758 774 1HZ LYS 101 1HZ LYS 101 17.033 -3.888 -5.770 775 2HZ LYS 101 2HZ LYS 101 16.142 -4.964 -6.723 776 3HZ LYS 101 3HZ LYS 101 17.245 -5.556 -5.585 777 H GLY 102 H GLY 102 12.862 -6.351 -7.527 778 1HA GLY 102 1HA GLY 102 14.645 -7.782 -7.849 779 2HA GLY 102 2HA GLY 102 15.012 -7.645 -6.136 780 H GLU 103 H GLU 103 12.215 -8.467 -5.461 781 HA GLU 103 HA GLU 103 12.714 -11.215 -5.144 782 1HB GLU 103 1HB GLU 103 10.256 -9.519 -4.779 783 2HB GLU 103 2HB GLU 103 10.239 -11.250 -4.469 784 1HG GLU 103 1HG GLU 103 12.005 -9.227 -3.109 785 2HG GLU 103 2HG GLU 103 10.560 -9.970 -2.426 786 H THR 104 H THR 104 10.828 -12.820 -5.795 787 HA THR 104 HA THR 104 10.293 -12.443 -8.668 788 HB THR 104 HB THR 104 10.592 -14.861 -8.997 789 HG1 THR 104 1HG THR 104 10.816 -16.149 -7.332 790 1HG2 THR 104 1HG2 THR 104 12.492 -13.392 -9.407 791 2HG2 THR 104 2HG2 THR 104 13.040 -14.932 -8.745 792 3HG2 THR 104 3HG2 THR 104 12.965 -13.505 -7.711 793 H ASP 105 H ASP 105 9.069 -13.319 -5.576 794 HA ASP 105 HA ASP 105 6.599 -14.372 -6.766 795 1HB ASP 105 1HB ASP 105 7.618 -15.760 -5.022 796 2HB ASP 105 2HB ASP 105 7.537 -14.413 -3.892 797 H GLU 106 H GLU 106 4.639 -13.394 -6.488 798 HA GLU 106 HA GLU 106 4.531 -10.631 -6.183 799 1HB GLU 106 1HB GLU 106 2.811 -11.892 -7.359 800 2HB GLU 106 2HB GLU 106 2.318 -12.663 -5.858 801 1HG GLU 106 1HG GLU 106 0.791 -10.880 -6.521 802 2HG GLU 106 2HG GLU 106 1.568 -10.540 -4.975 803 H CYS 107 H CYS 107 3.067 -12.979 -3.922 804 HA CYS 107 HA CYS 107 2.527 -11.250 -1.859 805 1HB CYS 107 1HB CYS 107 3.251 -14.172 -1.826 806 2HB CYS 107 2HB CYS 107 2.792 -13.306 -0.362 807 H ASN 108 H ASN 108 5.614 -12.661 -2.718 808 HA ASN 108 HA ASN 108 6.945 -12.038 -0.287 809 1HB ASN 108 1HB ASN 108 7.936 -12.619 -3.075 810 2HB ASN 108 2HB ASN 108 9.034 -12.240 -1.753 811 1HD2 ASN 108 1HD2 ASN 108 9.994 -14.255 -1.822 812 2HD2 ASN 108 2HD2 ASN 108 9.195 -15.682 -1.264 813 H ILE 109 H ILE 109 6.517 -10.330 -3.345 814 HA ILE 109 HA ILE 109 8.217 -8.141 -2.719 815 HB ILE 109 HB ILE 109 5.911 -8.291 -4.669 816 1HG1 ILE 109 1HG1 ILE 109 8.878 -8.509 -5.197 817 2HG1 ILE 109 2HG1 ILE 109 7.810 -9.898 -5.027 818 1HG2 ILE 109 1HG2 ILE 109 6.409 -5.987 -4.117 819 2HG2 ILE 109 2HG2 ILE 109 6.972 -6.346 -5.749 820 3HG2 ILE 109 3HG2 ILE 109 8.126 -6.260 -4.418 821 1HD1 ILE 109 1HD1 ILE 109 8.228 -9.379 -7.360 822 2HD1 ILE 109 2HD1 ILE 109 7.587 -7.753 -7.122 823 3HD1 ILE 109 3HD1 ILE 109 6.526 -9.150 -6.957 824 H GLY 110 H GLY 110 4.699 -8.609 -2.556 825 1HA GLY 110 1HA GLY 110 4.052 -6.031 -1.656 826 2HA GLY 110 2HA GLY 110 3.063 -7.463 -1.440 827 H ASN 111 H ASN 111 4.461 -9.035 0.253 828 HA ASN 111 HA ASN 111 3.988 -7.919 2.749 829 1HB ASN 111 1HB ASN 111 4.146 -10.310 2.515 830 2HB ASN 111 2HB ASN 111 5.818 -10.196 1.972 831 1HD2 ASN 111 1HD2 ASN 111 4.401 -8.362 4.621 832 2HD2 ASN 111 2HD2 ASN 111 5.325 -9.111 5.869 833 H LYS 112 H LYS 112 6.948 -8.038 0.849 834 HA LYS 112 HA LYS 112 8.642 -6.917 2.833 835 1HB LYS 112 1HB LYS 112 8.834 -7.284 -0.141 836 2HB LYS 112 2HB LYS 112 10.049 -6.348 0.716 837 1HG LYS 112 1HG LYS 112 9.330 -9.161 1.483 838 2HG LYS 112 2HG LYS 112 10.583 -8.776 0.302 839 1HD LYS 112 1HD LYS 112 11.745 -7.430 1.997 840 2HD LYS 112 2HD LYS 112 10.506 -7.865 3.177 841 1HE LYS 112 1HE LYS 112 12.332 -9.797 1.749 842 2HE LYS 112 2HE LYS 112 12.529 -9.240 3.410 843 1HZ LYS 112 1HZ LYS 112 10.207 -10.774 2.370 844 2HZ LYS 112 2HZ LYS 112 10.410 -10.254 3.966 845 3HZ LYS 112 3HZ LYS 112 11.461 -11.407 3.314 846 H TYR 113 H TYR 113 6.400 -5.618 0.551 847 HA TYR 113 HA TYR 113 7.433 -2.922 0.681 848 1HB TYR 113 1HB TYR 113 6.330 -3.859 -1.358 849 2HB TYR 113 2HB TYR 113 4.811 -3.898 -0.468 850 HD1 TYR 113 1HD TYR 113 3.495 -1.954 -0.218 851 HD2 TYR 113 2HD TYR 113 7.419 -1.650 -1.830 852 HE1 TYR 113 1HE TYR 113 3.034 0.365 -0.879 853 HE2 TYR 113 2HE TYR 113 6.971 0.676 -2.496 854 HH TYR 113 HH TYR 113 4.327 2.435 -1.362 855 H THR 114 H THR 114 4.276 -4.365 1.517 856 HA THR 114 HA THR 114 3.162 -2.299 2.890 857 HB THR 114 HB THR 114 1.906 -4.310 2.437 858 HG1 THR 114 1HG THR 114 1.834 -4.358 5.215 859 1HG2 THR 114 1HG2 THR 114 3.778 -5.907 2.905 860 2HG2 THR 114 2HG2 THR 114 2.230 -6.376 3.603 861 3HG2 THR 114 3HG2 THR 114 3.478 -5.667 4.626 862 H ASP 115 H ASP 115 5.262 -4.819 4.255 863 HA ASP 115 HA ASP 115 5.304 -4.214 6.900 864 1HB ASP 115 1HB ASP 115 6.601 -6.047 6.092 865 2HB ASP 115 2HB ASP 115 7.584 -4.992 5.081 866 H CYS 116 H CYS 116 7.633 -2.836 4.595 867 HA CYS 116 HA CYS 116 8.819 -1.001 6.293 868 1HB CYS 116 1HB CYS 116 9.988 -1.250 4.334 869 2HB CYS 116 2HB CYS 116 8.537 -1.247 3.339 870 H TYR 117 H TYR 117 6.059 -0.483 4.102 871 HA TYR 117 HA TYR 117 5.723 2.240 4.559 872 1HB TYR 117 1HB TYR 117 4.474 0.402 2.998 873 2HB TYR 117 2HB TYR 117 3.233 0.694 4.214 874 HD1 TYR 117 1HD TYR 117 1.644 2.216 3.554 875 HD2 TYR 117 2HD TYR 117 5.668 2.813 2.307 876 HE1 TYR 117 1HE TYR 117 0.968 4.268 2.380 877 HE2 TYR 117 2HE TYR 117 5.001 4.866 1.129 878 HH TYR 117 HH TYR 117 2.948 5.840 0.143 879 H ILE 118 H ILE 118 4.929 -0.461 6.575 880 HA ILE 118 HA ILE 118 3.148 1.057 8.290 881 HB ILE 118 HB ILE 118 4.313 -1.714 8.618 882 1HG1 ILE 118 1HG1 ILE 118 2.751 -1.438 6.703 883 2HG1 ILE 118 2HG1 ILE 118 2.129 -2.523 7.941 884 1HG2 ILE 118 1HG2 ILE 118 2.196 -0.287 10.222 885 2HG2 ILE 118 2HG2 ILE 118 3.788 -0.798 10.784 886 3HG2 ILE 118 3HG2 ILE 118 2.577 -2.005 10.355 887 1HD1 ILE 118 1HD1 ILE 118 0.402 -1.046 7.061 888 2HD1 ILE 118 2HD1 ILE 118 1.336 0.357 7.580 889 3HD1 ILE 118 3HD1 ILE 118 0.684 -0.761 8.777 890 H GLU 119 H GLU 119 6.511 0.054 8.231 891 HA GLU 119 HA GLU 119 7.037 0.659 10.969 892 1HB GLU 119 1HB GLU 119 8.399 -0.932 9.669 893 2HB GLU 119 2HB GLU 119 8.967 0.392 8.660 894 1HG GLU 119 1HG GLU 119 10.012 1.428 10.612 895 2HG GLU 119 2HG GLU 119 9.447 0.097 11.619 896 H LYS 120 H LYS 120 7.599 2.410 7.922 897 HA LYS 120 HA LYS 120 8.699 4.677 9.347 898 1HB LYS 120 1HB LYS 120 8.114 4.297 6.410 899 2HB LYS 120 2HB LYS 120 8.976 5.661 7.109 900 1HG LYS 120 1HG LYS 120 9.905 2.817 7.387 901 2HG LYS 120 2HG LYS 120 10.403 3.882 6.070 902 1HD LYS 120 1HD LYS 120 11.391 5.429 7.630 903 2HD LYS 120 2HD LYS 120 10.772 4.501 8.998 904 1HE LYS 120 1HE LYS 120 12.179 2.627 8.410 905 2HE LYS 120 2HE LYS 120 12.729 3.457 6.955 906 1HZ LYS 120 1HZ LYS 120 13.792 5.118 8.311 907 2HZ LYS 120 2HZ LYS 120 14.336 3.586 8.782 908 3HZ LYS 120 3HZ LYS 120 13.198 4.409 9.729 909 H LEU 121 H LEU 121 5.933 4.213 7.126 910 HA LEU 121 HA LEU 121 4.825 6.743 8.093 911 1HB LEU 121 1HB LEU 121 5.049 6.520 5.697 912 2HB LEU 121 2HB LEU 121 4.117 5.038 5.714 913 HG LEU 121 HG LEU 121 2.104 6.232 6.289 914 1HD1 LEU 121 1HD1 LEU 121 2.987 7.924 7.760 915 2HD1 LEU 121 2HD1 LEU 121 2.108 8.705 6.445 916 3HD1 LEU 121 3HD1 LEU 121 3.870 8.672 6.429 917 1HD2 LEU 121 1HD2 LEU 121 2.675 6.108 3.932 918 2HD2 LEU 121 2HD2 LEU 121 3.607 7.601 4.062 919 3HD2 LEU 121 3HD2 LEU 121 1.859 7.630 4.291 920 H PHE 122 H PHE 122 4.401 3.419 8.635 921 HA PHE 122 HA PHE 122 2.862 2.258 9.848 922 1HB PHE 122 1HB PHE 122 2.619 3.682 11.608 923 2HB PHE 122 2HB PHE 122 2.299 5.070 10.582 924 HD1 PHE 122 1HD PHE 122 0.748 1.969 11.905 925 HD2 PHE 122 2HD PHE 122 0.136 5.886 10.362 926 HE1 PHE 122 1HE PHE 122 -1.640 1.811 12.472 927 HE2 PHE 122 2HE PHE 122 -2.249 5.743 10.929 928 HZ PHE 122 HZ PHE 122 -3.151 3.707 11.962 929 H SER 123 H SER 123 1.985 4.278 7.259 930 HA SER 123 HA SER 123 -0.743 3.710 6.980 931 1HB SER 123 1HB SER 123 0.260 5.480 5.688 932 2HB SER 123 2HB SER 123 1.370 4.351 4.914 933 HG SER 123 HG SER 123 -0.230 4.577 3.467 934 1H4 TSD 124 1H4 TSP 124 -5.354 -0.458 4.269 935 2H4 TSD 124 2H4 TSP 124 -5.457 0.472 2.792 936 3H4 TSD 124 3H4 TSP 124 -5.820 1.226 4.327 937 1H5 TSD 124 1H5 TSP 124 -1.461 -0.172 4.729 938 2H5 TSD 124 2H5 TSP 124 -2.767 -1.290 4.411 939 3H5 TSD 124 3H5 TSP 124 -2.756 -0.354 5.887 940 1H6 TSD 124 1H6 TSP 124 -3.318 2.322 6.007 941 2H6 TSD 124 2H6 TSP 124 -4.150 3.173 4.728 942 3H6 TSD 124 3H6 TSP 124 -2.407 3.043 4.702 943 1D3 TSD 124 1D3 TSP 124 -2.928 0.366 1.762 944 2D3 TSD 124 2D3 TSP 124 -3.260 2.081 1.894 945 1D2 TSD 124 1D2 TSP 124 -0.681 0.722 2.740 946 2D2 TSD 124 2D2 TSP 124 -1.015 2.449 2.861 Start of MODEL 8 1 HA ILE 1 HA ILE 1 0.149 13.274 10.459 2 HB ILE 1 HB ILE 1 -0.370 11.475 8.868 3 1HG1 ILE 1 1HG1 ILE 1 0.505 9.573 11.054 4 2HG1 ILE 1 2HG1 ILE 1 -1.175 9.847 10.602 5 1HG2 ILE 1 1HG2 ILE 1 1.910 12.322 9.030 6 2HG2 ILE 1 2HG2 ILE 1 1.902 10.608 8.618 7 3HG2 ILE 1 3HG2 ILE 1 2.279 11.117 10.264 8 1HD1 ILE 1 1HD1 ILE 1 -0.688 9.027 8.348 9 2HD1 ILE 1 2HD1 ILE 1 -0.329 7.824 9.586 10 3HD1 ILE 1 3HD1 ILE 1 0.982 8.728 8.827 11 H ASP 2 H ASP 2 -1.980 12.724 9.149 12 HA ASP 2 HA ASP 2 -4.127 12.701 11.142 13 1HB ASP 2 1HB ASP 2 -4.125 13.618 8.259 14 2HB ASP 2 2HB ASP 2 -5.509 13.703 9.345 15 H GLN 3 H GLN 3 -4.818 10.684 11.497 16 HA GLN 3 HA GLN 3 -4.740 8.547 9.705 17 1HB GLN 3 1HB GLN 3 -6.217 7.394 11.243 18 2HB GLN 3 2HB GLN 3 -5.010 8.298 12.142 19 1HG GLN 3 1HG GLN 3 -7.826 9.237 11.654 20 2HG GLN 3 2HG GLN 3 -7.289 8.397 13.106 21 1HE2 GLN 3 1HE2 GLN 3 -5.916 9.453 14.551 22 2HE2 GLN 3 2HE2 GLN 3 -5.720 11.168 14.536 23 H ASP 4 H ASP 4 -7.271 10.893 10.365 24 HA ASP 4 HA ASP 4 -9.392 9.778 8.991 25 1HB ASP 4 1HB ASP 4 -10.211 12.112 8.691 26 2HB ASP 4 2HB ASP 4 -9.689 11.762 10.336 27 H THR 5 H THR 5 -6.905 11.971 7.689 28 HA THR 5 HA THR 5 -7.874 11.968 5.035 29 HB THR 5 HB THR 5 -5.591 12.775 4.415 30 HG1 THR 5 1HG THR 5 -4.622 11.566 6.286 31 1HG2 THR 5 1HG2 THR 5 -7.363 14.330 5.116 32 2HG2 THR 5 2HG2 THR 5 -5.765 14.898 5.597 33 3HG2 THR 5 3HG2 THR 5 -6.835 14.163 6.790 34 H VAL 6 H VAL 6 -6.096 9.663 6.833 35 HA VAL 6 HA VAL 6 -4.921 8.354 4.540 36 HB VAL 6 HB VAL 6 -5.080 7.529 7.442 37 1HG1 VAL 6 1HG1 VAL 6 -3.413 5.836 6.896 38 2HG1 VAL 6 2HG1 VAL 6 -3.504 6.282 5.196 39 3HG1 VAL 6 3HG1 VAL 6 -4.905 5.568 5.996 40 1HG2 VAL 6 1HG2 VAL 6 -2.778 8.611 5.825 41 2HG2 VAL 6 2HG2 VAL 6 -2.739 8.161 7.530 42 3HG2 VAL 6 3HG2 VAL 6 -3.721 9.526 7.000 43 H VAL 7 H VAL 7 -7.165 7.237 7.061 44 HA VAL 7 HA VAL 7 -7.982 4.908 5.760 45 HB VAL 7 HB VAL 7 -9.539 6.530 7.773 46 1HG1 VAL 7 1HG1 VAL 7 -10.587 4.380 8.343 47 2HG1 VAL 7 2HG1 VAL 7 -9.711 3.613 7.018 48 3HG1 VAL 7 3HG1 VAL 7 -10.917 4.854 6.676 49 1HG2 VAL 7 1HG2 VAL 7 -7.528 4.320 8.194 50 2HG2 VAL 7 2HG2 VAL 7 -8.505 5.076 9.453 51 3HG2 VAL 7 3HG2 VAL 7 -7.300 6.025 8.582 52 H ALA 8 H ALA 8 -9.786 7.977 6.071 53 HA ALA 8 HA ALA 8 -11.975 7.248 4.518 54 1HB ALA 8 1HB ALA 8 -11.927 9.210 5.981 55 2HB ALA 8 2HB ALA 8 -12.469 9.616 4.352 56 3HB ALA 8 3HB ALA 8 -10.827 10.014 4.860 57 H LYS 9 H LYS 9 -8.822 8.416 3.477 58 HA LYS 9 HA LYS 9 -9.769 8.885 0.779 59 1HB LYS 9 1HB LYS 9 -7.129 9.172 2.147 60 2HB LYS 9 2HB LYS 9 -7.215 9.174 0.392 61 1HG LYS 9 1HG LYS 9 -9.111 10.951 1.786 62 2HG LYS 9 2HG LYS 9 -7.405 11.390 1.884 63 1HD LYS 9 1HD LYS 9 -8.443 12.475 -0.024 64 2HD LYS 9 2HD LYS 9 -7.254 11.294 -0.567 65 1HE LYS 9 1HE LYS 9 -9.282 11.207 -1.923 66 2HE LYS 9 2HE LYS 9 -9.034 9.701 -1.039 67 1HZ LYS 9 1HZ LYS 9 -10.889 11.883 -0.243 68 2HZ LYS 9 2HZ LYS 9 -10.657 10.435 0.597 69 3HZ LYS 9 3HZ LYS 9 -11.342 10.413 -0.949 70 H TYR 10 H TYR 10 -7.261 6.725 2.160 71 HA TYR 10 HA TYR 10 -6.797 5.208 -0.097 72 1HB TYR 10 1HB TYR 10 -6.659 4.546 2.828 73 2HB TYR 10 2HB TYR 10 -6.324 3.311 1.619 74 HD1 TYR 10 1HD TYR 10 -4.702 4.386 -0.361 75 HD2 TYR 10 2HD TYR 10 -4.769 5.460 3.753 76 HE1 TYR 10 1HE TYR 10 -2.380 5.175 -0.535 77 HE2 TYR 10 2HE TYR 10 -2.448 6.253 3.590 78 HH TYR 10 HH TYR 10 -0.876 6.743 0.631 79 H MET 11 H MET 11 -9.572 5.249 1.932 80 HA MET 11 HA MET 11 -10.569 2.684 1.030 81 1HB MET 11 1HB MET 11 -11.035 3.424 3.312 82 2HB MET 11 2HB MET 11 -11.861 4.848 2.698 83 1HG MET 11 1HG MET 11 -13.592 3.485 1.731 84 2HG MET 11 2HG MET 11 -12.740 2.015 2.201 85 1HE MET 11 1HE MET 11 -14.650 4.980 5.175 86 2HE MET 11 2HE MET 11 -14.700 5.164 3.421 87 3HE MET 11 3HE MET 11 -13.172 5.341 4.283 88 H GLU 12 H GLU 12 -11.872 6.005 0.883 89 HA GLU 12 HA GLU 12 -13.872 5.479 -0.992 90 1HB GLU 12 1HB GLU 12 -13.780 7.501 0.412 91 2HB GLU 12 2HB GLU 12 -12.400 8.074 -0.514 92 1HG GLU 12 1HG GLU 12 -13.855 8.052 -2.543 93 2HG GLU 12 2HG GLU 12 -15.217 7.689 -1.485 94 H TYR 13 H TYR 13 -10.483 6.187 -1.448 95 HA TYR 13 HA TYR 13 -10.463 7.014 -4.099 96 1HB TYR 13 1HB TYR 13 -8.540 6.716 -2.295 97 2HB TYR 13 2HB TYR 13 -8.292 5.199 -3.153 98 HD1 TYR 13 1HD TYR 13 -6.991 8.310 -2.909 99 HD2 TYR 13 2HD TYR 13 -8.562 5.728 -5.908 100 HE1 TYR 13 1HE TYR 13 -5.680 9.498 -4.615 101 HE2 TYR 13 2HE TYR 13 -7.260 6.915 -7.621 102 HH TYR 13 HH TYR 13 -4.760 9.075 -6.858 103 H LEU 14 H LEU 14 -10.350 3.710 -2.789 104 HA LEU 14 HA LEU 14 -11.271 2.725 -5.391 105 1HB LEU 14 1HB LEU 14 -8.937 1.573 -3.861 106 2HB LEU 14 2HB LEU 14 -9.664 0.853 -5.283 107 HG LEU 14 HG LEU 14 -8.356 3.571 -5.268 108 1HD1 LEU 14 1HD1 LEU 14 -6.437 2.533 -6.280 109 2HD1 LEU 14 2HD1 LEU 14 -7.218 0.953 -6.235 110 3HD1 LEU 14 3HD1 LEU 14 -6.761 1.757 -4.732 111 1HD2 LEU 14 1HD2 LEU 14 -9.234 1.754 -7.509 112 2HD2 LEU 14 2HD2 LEU 14 -8.371 3.279 -7.703 113 3HD2 LEU 14 3HD2 LEU 14 -10.002 3.268 -7.032 114 H MET 15 H MET 15 -12.814 3.061 -3.059 115 HA MET 15 HA MET 15 -12.970 0.821 -1.408 116 1HB MET 15 1HB MET 15 -14.131 2.745 -0.706 117 2HB MET 15 2HB MET 15 -14.996 2.886 -2.229 118 1HG MET 15 1HG MET 15 -16.299 0.932 -1.713 119 2HG MET 15 2HG MET 15 -15.389 0.678 -0.226 120 1HE MET 15 1HE MET 15 -16.560 4.161 -1.663 121 2HE MET 15 2HE MET 15 -18.159 4.306 -0.932 122 3HE MET 15 3HE MET 15 -17.851 3.058 -2.139 123 HA PRO 16 HA PRO 16 -16.250 -1.024 -4.430 124 1HB PRO 16 1HB PRO 16 -16.343 -0.066 -6.961 125 2HB PRO 16 2HB PRO 16 -17.315 0.613 -5.649 126 1HG PRO 16 1HG PRO 16 -14.731 1.595 -6.799 127 2HG PRO 16 2HG PRO 16 -16.179 2.518 -6.353 128 1HD PRO 16 1HD PRO 16 -13.990 2.378 -4.766 129 2HD PRO 16 2HD PRO 16 -15.634 2.531 -4.115 130 H ASP 17 H ASP 17 -13.046 -0.144 -5.245 131 HA ASP 17 HA ASP 17 -12.750 -2.447 -7.036 132 1HB ASP 17 1HB ASP 17 -10.907 -0.115 -6.493 133 2HB ASP 17 2HB ASP 17 -10.518 -1.460 -7.560 134 H ILE 18 H ILE 18 -12.406 -1.662 -3.822 135 HA ILE 18 HA ILE 18 -10.055 -3.288 -3.325 136 HB ILE 18 HB ILE 18 -11.846 -1.616 -1.609 137 1HG1 ILE 18 1HG1 ILE 18 -8.834 -1.840 -1.728 138 2HG1 ILE 18 2HG1 ILE 18 -9.767 -0.749 -2.744 139 1HG2 ILE 18 1HG2 ILE 18 -10.002 -3.767 -0.578 140 2HG2 ILE 18 2HG2 ILE 18 -11.745 -3.652 -0.336 141 3HG2 ILE 18 3HG2 ILE 18 -10.672 -2.468 0.410 142 1HD1 ILE 18 1HD1 ILE 18 -10.577 0.415 -0.772 143 2HD1 ILE 18 2HD1 ILE 18 -8.814 0.389 -0.812 144 3HD1 ILE 18 3HD1 ILE 18 -9.689 -0.702 0.264 145 H MET 19 H MET 19 -13.553 -3.446 -2.757 146 HA MET 19 HA MET 19 -13.676 -5.805 -1.309 147 1HB MET 19 1HB MET 19 -15.661 -4.947 -3.420 148 2HB MET 19 2HB MET 19 -15.967 -6.025 -2.066 149 1HG MET 19 1HG MET 19 -15.294 -3.098 -1.898 150 2HG MET 19 2HG MET 19 -16.877 -3.825 -1.645 151 1HE MET 19 1HE MET 19 -17.468 -5.410 0.427 152 2HE MET 19 2HE MET 19 -16.278 -5.914 1.625 153 3HE MET 19 3HE MET 19 -16.134 -6.463 -0.044 154 HA PRO 20 HA PRO 20 -14.051 -8.025 -5.822 155 1HB PRO 20 1HB PRO 20 -11.780 -6.326 -6.799 156 2HB PRO 20 2HB PRO 20 -13.055 -7.124 -7.726 157 1HG PRO 20 1HG PRO 20 -13.212 -4.530 -7.220 158 2HG PRO 20 2HG PRO 20 -14.659 -5.551 -7.126 159 1HD PRO 20 1HD PRO 20 -13.052 -4.341 -4.940 160 2HD PRO 20 2HD PRO 20 -14.782 -4.723 -4.993 161 H CYS 21 H CYS 21 -10.903 -6.678 -4.791 162 HA CYS 21 HA CYS 21 -9.389 -8.972 -5.276 163 1HB CYS 21 1HB CYS 21 -8.912 -6.784 -3.249 164 2HB CYS 21 2HB CYS 21 -7.711 -7.964 -3.770 165 H ALA 22 H ALA 22 -11.346 -8.103 -2.501 166 HA ALA 22 HA ALA 22 -10.294 -10.040 -0.717 167 1HB ALA 22 1HB ALA 22 -12.274 -9.619 0.622 168 2HB ALA 22 2HB ALA 22 -13.045 -8.801 -0.738 169 3HB ALA 22 3HB ALA 22 -11.616 -8.097 0.018 170 H ASP 23 H ASP 23 -13.106 -10.043 -2.882 171 HA ASP 23 HA ASP 23 -13.817 -12.749 -2.238 172 1HB ASP 23 1HB ASP 23 -15.513 -11.117 -2.971 173 2HB ASP 23 2HB ASP 23 -14.710 -10.982 -4.532 174 H GLU 24 H GLU 24 -11.541 -11.248 -4.230 175 HA GLU 24 HA GLU 24 -11.389 -12.982 -6.411 176 1HB GLU 24 1HB GLU 24 -9.762 -10.887 -5.228 177 2HB GLU 24 2HB GLU 24 -8.785 -12.160 -5.936 178 1HG GLU 24 1HG GLU 24 -10.956 -10.623 -7.345 179 2HG GLU 24 2HG GLU 24 -9.221 -10.353 -7.515 180 H LEU 25 H LEU 25 -9.917 -13.213 -3.172 181 HA LEU 25 HA LEU 25 -8.934 -15.881 -3.986 182 1HB LEU 25 1HB LEU 25 -7.857 -14.307 -1.663 183 2HB LEU 25 2HB LEU 25 -7.108 -15.648 -2.518 184 HG LEU 25 HG LEU 25 -7.406 -13.676 -4.468 185 1HD1 LEU 25 1HD1 LEU 25 -6.309 -12.434 -1.953 186 2HD1 LEU 25 2HD1 LEU 25 -7.909 -12.094 -2.619 187 3HD1 LEU 25 3HD1 LEU 25 -6.464 -11.680 -3.542 188 1HD2 LEU 25 1HD2 LEU 25 -5.084 -14.599 -2.803 189 2HD2 LEU 25 2HD2 LEU 25 -4.902 -13.444 -4.122 190 3HD2 LEU 25 3HD2 LEU 25 -5.511 -15.069 -4.448 191 H HIS 26 H HIS 26 -10.401 -14.026 -1.324 192 HA HIS 26 HA HIS 26 -12.096 -16.075 -0.514 193 1HB HIS 26 1HB HIS 26 -10.773 -16.356 1.822 194 2HB HIS 26 2HB HIS 26 -10.628 -17.483 0.482 195 HD1 HIS 26 1HD HIS 26 -8.291 -18.094 0.057 196 HD2 HIS 26 2HD HIS 26 -8.603 -14.194 1.454 197 HE1 HIS 26 1HE HIS 26 -5.933 -17.233 0.183 198 HE2 HIS 26 2HE HIS 26 -6.156 -14.841 0.935 199 H ILE 27 H ILE 27 -10.022 -13.682 1.079 200 HA ILE 27 HA ILE 27 -12.379 -12.218 2.017 201 HB ILE 27 HB ILE 27 -10.755 -12.098 4.231 202 1HG1 ILE 27 1HG1 ILE 27 -10.863 -15.030 3.676 203 2HG1 ILE 27 2HG1 ILE 27 -9.561 -14.099 2.940 204 1HG2 ILE 27 1HG2 ILE 27 -13.193 -12.357 4.194 205 2HG2 ILE 27 2HG2 ILE 27 -12.438 -13.495 5.310 206 3HG2 ILE 27 3HG2 ILE 27 -13.007 -14.049 3.734 207 1HD1 ILE 27 1HD1 ILE 27 -10.151 -14.054 5.884 208 2HD1 ILE 27 2HD1 ILE 27 -8.716 -13.456 5.048 209 3HD1 ILE 27 3HD1 ILE 27 -9.031 -15.190 5.131 210 H SER 28 H SER 28 -11.493 -10.191 3.340 211 HA SER 28 HA SER 28 -9.631 -8.851 1.569 212 1HB SER 28 1HB SER 28 -10.961 -7.695 4.018 213 2HB SER 28 2HB SER 28 -10.234 -6.824 2.666 214 HG SER 28 HG SER 28 -12.671 -8.213 2.795 215 H GLU 29 H GLU 29 -8.029 -7.329 2.649 216 HA GLU 29 HA GLU 29 -6.145 -8.886 4.092 217 1HB GLU 29 1HB GLU 29 -5.352 -7.200 2.589 218 2HB GLU 29 2HB GLU 29 -6.289 -5.950 3.394 219 1HG GLU 29 1HG GLU 29 -4.276 -7.394 5.007 220 2HG GLU 29 2HG GLU 29 -3.688 -6.272 3.784 221 H ASP 30 H ASP 30 -8.757 -6.853 5.004 222 HA ASP 30 HA ASP 30 -7.763 -6.355 7.687 223 1HB ASP 30 1HB ASP 30 -10.445 -5.728 6.435 224 2HB ASP 30 2HB ASP 30 -9.907 -5.184 8.021 225 H ILE 31 H ILE 31 -10.395 -8.191 6.169 226 HA ILE 31 HA ILE 31 -11.342 -9.312 8.609 227 HB ILE 31 HB ILE 31 -11.741 -10.503 5.868 228 1HG1 ILE 31 1HG1 ILE 31 -13.343 -8.284 7.165 229 2HG1 ILE 31 2HG1 ILE 31 -12.231 -8.071 5.817 230 1HG2 ILE 31 1HG2 ILE 31 -12.515 -11.879 7.701 231 2HG2 ILE 31 2HG2 ILE 31 -13.901 -11.212 6.839 232 3HG2 ILE 31 3HG2 ILE 31 -13.407 -10.520 8.383 233 1HD1 ILE 31 1HD1 ILE 31 -13.636 -9.549 4.454 234 2HD1 ILE 31 2HD1 ILE 31 -14.508 -8.129 5.030 235 3HD1 ILE 31 3HD1 ILE 31 -14.763 -9.695 5.803 236 H ALA 32 H ALA 32 -8.558 -9.831 6.883 237 HA ALA 32 HA ALA 32 -8.134 -12.541 6.778 238 1HB ALA 32 1HB ALA 32 -6.560 -10.891 5.905 239 2HB ALA 32 2HB ALA 32 -5.750 -12.056 6.953 240 3HB ALA 32 3HB ALA 32 -6.117 -10.437 7.551 241 H THR 33 H THR 33 -7.503 -10.391 9.558 242 HA THR 33 HA THR 33 -7.999 -12.596 11.375 243 HB THR 33 HB THR 33 -5.366 -11.137 11.600 244 HG1 THR 33 1HG THR 33 -4.814 -13.566 10.969 245 1HG2 THR 33 1HG2 THR 33 -6.401 -13.670 12.882 246 2HG2 THR 33 2HG2 THR 33 -6.267 -12.100 13.673 247 3HG2 THR 33 3HG2 THR 33 -4.814 -12.947 13.146 248 H ASN 34 H ASN 34 -7.950 -9.329 10.589 249 HA ASN 34 HA ASN 34 -8.751 -7.459 11.590 250 1HB ASN 34 1HB ASN 34 -9.815 -9.409 13.642 251 2HB ASN 34 2HB ASN 34 -10.268 -7.711 13.529 252 1HD2 ASN 34 1HD2 ASN 34 -10.511 -10.850 12.060 253 2HD2 ASN 34 2HD2 ASN 34 -11.816 -10.475 10.993 254 H ILE 35 H ILE 35 -6.261 -7.372 11.914 255 HA ILE 35 HA ILE 35 -4.481 -6.711 13.170 256 HB ILE 35 HB ILE 35 -6.467 -5.714 15.200 257 1HG1 ILE 35 1HG1 ILE 35 -5.686 -4.331 12.622 258 2HG1 ILE 35 2HG1 ILE 35 -7.223 -5.151 12.879 259 1HG2 ILE 35 1HG2 ILE 35 -4.835 -3.900 15.452 260 2HG2 ILE 35 2HG2 ILE 35 -3.811 -4.657 14.233 261 3HG2 ILE 35 3HG2 ILE 35 -4.110 -5.477 15.766 262 1HD1 ILE 35 1HD1 ILE 35 -6.219 -2.774 14.426 263 2HD1 ILE 35 2HD1 ILE 35 -7.765 -3.589 14.666 264 3HD1 ILE 35 3HD1 ILE 35 -7.436 -2.748 13.151 265 H GLN 36 H GLN 36 -4.985 -9.371 13.547 266 HA GLN 36 HA GLN 36 -4.008 -9.728 16.269 267 1HB GLN 36 1HB GLN 36 -6.449 -11.108 15.169 268 2HB GLN 36 2HB GLN 36 -5.554 -11.719 16.553 269 1HG GLN 36 1HG GLN 36 -5.973 -9.570 17.712 270 2HG GLN 36 2HG GLN 36 -6.972 -9.072 16.346 271 1HE2 GLN 36 1HE2 GLN 36 -8.959 -10.065 16.009 272 2HE2 GLN 36 2HE2 GLN 36 -9.743 -10.994 17.240 273 H ALA 37 H ALA 37 -3.296 -10.082 13.247 274 HA ALA 37 HA ALA 37 -2.609 -12.892 13.149 275 1HB ALA 37 1HB ALA 37 -3.365 -11.701 11.130 276 2HB ALA 37 2HB ALA 37 -1.774 -12.434 10.931 277 3HB ALA 37 3HB ALA 37 -1.916 -10.698 11.204 278 H ALA 38 H ALA 38 -0.575 -10.037 12.470 279 HA ALA 38 HA ALA 38 1.414 -10.986 14.367 280 1HB ALA 38 1HB ALA 38 2.073 -10.714 11.440 281 2HB ALA 38 2HB ALA 38 1.935 -12.230 12.331 282 3HB ALA 38 3HB ALA 38 3.213 -11.083 12.735 283 H LYS 39 H LYS 39 1.649 -8.811 11.551 284 HA LYS 39 HA LYS 39 2.710 -6.751 13.305 285 1HB LYS 39 1HB LYS 39 3.138 -5.535 11.135 286 2HB LYS 39 2HB LYS 39 3.990 -7.058 11.344 287 1HG LYS 39 1HG LYS 39 2.230 -8.150 9.957 288 2HG LYS 39 2HG LYS 39 1.563 -6.548 9.644 289 1HD LYS 39 1HD LYS 39 4.390 -7.385 9.007 290 2HD LYS 39 2HD LYS 39 3.064 -7.363 7.843 291 1HE LYS 39 1HE LYS 39 4.159 -4.991 9.353 292 2HE LYS 39 2HE LYS 39 4.421 -5.351 7.646 293 1HZ LYS 39 1HZ LYS 39 1.810 -4.733 8.923 294 2HZ LYS 39 2HZ LYS 39 2.026 -5.130 7.293 295 3HZ LYS 39 3HZ LYS 39 2.694 -3.706 7.911 296 H ASN 40 H ASN 40 0.204 -6.831 10.740 297 HA ASN 40 HA ASN 40 -1.188 -4.709 12.243 298 1HB ASN 40 1HB ASN 40 -1.906 -3.706 10.191 299 2HB ASN 40 2HB ASN 40 -0.166 -3.948 10.073 300 1HD2 ASN 40 1HD2 ASN 40 0.639 -5.540 8.697 301 2HD2 ASN 40 2HD2 ASN 40 -0.323 -6.227 7.437 302 H GLY 41 H GLY 41 -1.329 -7.867 11.307 303 1HA GLY 41 1HA GLY 41 -3.191 -9.227 11.962 304 2HA GLY 41 2HA GLY 41 -4.257 -7.877 11.600 305 H ALA 42 H ALA 42 -2.056 -7.960 9.174 306 HA ALA 42 HA ALA 42 -3.946 -9.176 7.348 307 1HB ALA 42 1HB ALA 42 -1.279 -7.870 6.826 308 2HB ALA 42 2HB ALA 42 -2.854 -7.082 6.740 309 3HB ALA 42 3HB ALA 42 -2.444 -8.362 5.598 310 H ASP 43 H ASP 43 -1.548 -10.318 9.279 311 HA ASP 43 HA ASP 43 -0.521 -12.332 9.462 312 1HB ASP 43 1HB ASP 43 -2.653 -13.205 8.434 313 2HB ASP 43 2HB ASP 43 -1.844 -13.138 6.871 314 H MET 44 H MET 44 -0.171 -10.315 6.767 315 HA MET 44 HA MET 44 1.643 -9.740 5.522 316 1HB MET 44 1HB MET 44 2.922 -10.188 7.617 317 2HB MET 44 2HB MET 44 3.160 -11.843 7.071 318 1HG MET 44 1HG MET 44 4.263 -10.897 5.021 319 2HG MET 44 2HG MET 44 4.200 -9.324 5.817 320 1HE MET 44 1HE MET 44 4.717 -10.057 8.857 321 2HE MET 44 2HE MET 44 5.506 -8.715 8.025 322 3HE MET 44 3HE MET 44 6.470 -9.870 8.946 323 H SER 45 H SER 45 0.771 -13.104 5.808 324 HA SER 45 HA SER 45 2.256 -14.101 3.633 325 1HB SER 45 1HB SER 45 1.251 -15.587 5.295 326 2HB SER 45 2HB SER 45 -0.363 -15.091 4.787 327 HG SER 45 HG SER 45 1.139 -17.027 3.786 328 H GLN 46 H GLN 46 -1.215 -13.217 3.787 329 HA GLN 46 HA GLN 46 -1.340 -13.241 0.890 330 1HB GLN 46 1HB GLN 46 -3.250 -13.417 3.058 331 2HB GLN 46 2HB GLN 46 -3.756 -12.236 1.856 332 1HG GLN 46 1HG GLN 46 -3.116 -15.139 1.394 333 2HG GLN 46 2HG GLN 46 -4.692 -14.363 1.306 334 1HE2 GLN 46 1HE2 GLN 46 -1.614 -14.767 -0.260 335 2HE2 GLN 46 2HE2 GLN 46 -2.083 -14.154 -1.804 336 H LEU 47 H LEU 47 -0.590 -11.031 3.304 337 HA LEU 47 HA LEU 47 -1.727 -8.662 2.383 338 1HB LEU 47 1HB LEU 47 -0.582 -8.847 4.532 339 2HB LEU 47 2HB LEU 47 0.944 -9.100 3.716 340 HG LEU 47 HG LEU 47 0.735 -6.804 2.747 341 1HD1 LEU 47 1HD1 LEU 47 -1.516 -6.554 4.726 342 2HD1 LEU 47 2HD1 LEU 47 -1.702 -6.623 2.977 343 3HD1 LEU 47 3HD1 LEU 47 -0.853 -5.268 3.720 344 1HD2 LEU 47 1HD2 LEU 47 2.150 -7.197 4.668 345 2HD2 LEU 47 2HD2 LEU 47 0.766 -7.063 5.751 346 3HD2 LEU 47 3HD2 LEU 47 1.318 -5.651 4.851 347 H GLY 48 H GLY 48 1.284 -10.259 1.409 348 1HA GLY 48 1HA GLY 48 2.015 -8.185 -0.418 349 2HA GLY 48 2HA GLY 48 2.729 -9.788 -0.325 350 H CYS 49 H CYS 49 -0.657 -9.826 -0.624 351 HA CYS 49 HA CYS 49 -0.610 -9.893 -3.529 352 1HB CYS 49 1HB CYS 49 -1.047 -12.248 -1.774 353 2HB CYS 49 2HB CYS 49 -1.989 -12.117 -3.253 354 H LEU 50 H LEU 50 -2.817 -11.112 -1.050 355 HA LEU 50 HA LEU 50 -5.207 -10.436 -2.138 356 1HB LEU 50 1HB LEU 50 -5.190 -11.676 -0.131 357 2HB LEU 50 2HB LEU 50 -4.272 -10.452 0.717 358 HG LEU 50 HG LEU 50 -6.193 -9.003 0.836 359 1HD1 LEU 50 1HD1 LEU 50 -7.181 -9.556 -1.345 360 2HD1 LEU 50 2HD1 LEU 50 -8.365 -9.636 -0.039 361 3HD1 LEU 50 3HD1 LEU 50 -7.685 -11.120 -0.706 362 1HD2 LEU 50 1HD2 LEU 50 -6.658 -11.858 1.647 363 2HD2 LEU 50 2HD2 LEU 50 -7.749 -10.552 2.100 364 3HD2 LEU 50 3HD2 LEU 50 -6.069 -10.518 2.631 365 H LYS 51 H LYS 51 -3.376 -8.361 0.116 366 HA LYS 51 HA LYS 51 -5.044 -6.097 -0.488 367 1HB LYS 51 1HB LYS 51 -3.993 -6.409 1.745 368 2HB LYS 51 2HB LYS 51 -2.412 -6.184 1.007 369 1HG LYS 51 1HG LYS 51 -3.170 -3.924 0.262 370 2HG LYS 51 2HG LYS 51 -4.632 -4.164 1.220 371 1HD LYS 51 1HD LYS 51 -3.275 -4.418 3.235 372 2HD LYS 51 2HD LYS 51 -1.808 -4.200 2.277 373 1HE LYS 51 1HE LYS 51 -2.605 -1.953 1.633 374 2HE LYS 51 2HE LYS 51 -4.006 -2.176 2.680 375 1HZ LYS 51 1HZ LYS 51 -2.276 -0.905 3.781 376 2HZ LYS 51 2HZ LYS 51 -1.172 -2.169 3.567 377 3HZ LYS 51 3HZ LYS 51 -2.516 -2.383 4.570 378 H ALA 52 H ALA 52 -2.168 -7.550 -1.747 379 HA ALA 52 HA ALA 52 -1.096 -5.149 -2.929 380 1HB ALA 52 1HB ALA 52 0.524 -6.564 -3.965 381 2HB ALA 52 2HB ALA 52 -0.462 -7.997 -3.675 382 3HB ALA 52 3HB ALA 52 0.277 -7.148 -2.318 383 H CYS 53 H CYS 53 -3.731 -7.057 -3.600 384 HA CYS 53 HA CYS 53 -3.661 -7.071 -6.449 385 1HB CYS 53 1HB CYS 53 -5.068 -8.702 -5.528 386 2HB CYS 53 2HB CYS 53 -5.788 -7.570 -4.387 387 H VAL 54 H VAL 54 -4.938 -4.913 -3.994 388 HA VAL 54 HA VAL 54 -6.471 -3.256 -5.682 389 HB VAL 54 HB VAL 54 -5.036 -2.476 -3.138 390 1HG1 VAL 54 1HG1 VAL 54 -7.371 -1.217 -4.572 391 2HG1 VAL 54 2HG1 VAL 54 -5.759 -0.532 -4.377 392 3HG1 VAL 54 3HG1 VAL 54 -6.797 -0.752 -2.971 393 1HG2 VAL 54 1HG2 VAL 54 -7.169 -2.964 -2.020 394 2HG2 VAL 54 2HG2 VAL 54 -6.472 -4.400 -2.770 395 3HG2 VAL 54 3HG2 VAL 54 -7.818 -3.566 -3.545 396 H MET 55 H MET 55 -3.088 -3.594 -5.206 397 HA MET 55 HA MET 55 -2.265 -1.018 -6.079 398 1HB MET 55 1HB MET 55 -0.755 -3.638 -6.162 399 2HB MET 55 2HB MET 55 -0.049 -2.037 -6.324 400 1HG MET 55 1HG MET 55 -0.859 -1.514 -4.034 401 2HG MET 55 2HG MET 55 -1.380 -3.194 -3.890 402 1HE MET 55 1HE MET 55 0.698 -1.587 -1.931 403 2HE MET 55 2HE MET 55 1.834 -2.896 -1.604 404 3HE MET 55 3HE MET 55 0.101 -3.218 -1.631 405 H LYS 56 H LYS 56 -2.602 -4.153 -7.706 406 HA LYS 56 HA LYS 56 -1.696 -3.370 -10.237 407 1HB LYS 56 1HB LYS 56 -3.840 -5.426 -9.691 408 2HB LYS 56 2HB LYS 56 -2.756 -5.359 -11.071 409 1HG LYS 56 1HG LYS 56 -0.869 -5.892 -9.675 410 2HG LYS 56 2HG LYS 56 -1.881 -5.828 -8.231 411 1HD LYS 56 1HD LYS 56 -3.115 -7.747 -8.918 412 2HD LYS 56 2HD LYS 56 -2.374 -7.723 -10.521 413 1HE LYS 56 1HE LYS 56 -0.897 -8.202 -7.935 414 2HE LYS 56 2HE LYS 56 -1.432 -9.467 -9.042 415 1HZ LYS 56 1HZ LYS 56 0.850 -8.988 -9.476 416 2HZ LYS 56 2HZ LYS 56 0.550 -7.329 -9.601 417 3HZ LYS 56 3HZ LYS 56 -0.054 -8.387 -10.775 418 H ARG 57 H ARG 57 -4.570 -2.606 -8.563 419 HA ARG 57 HA ARG 57 -6.327 -2.216 -10.748 420 1HB ARG 57 1HB ARG 57 -6.821 -2.378 -8.201 421 2HB ARG 57 2HB ARG 57 -6.494 -0.651 -8.193 422 1HG ARG 57 1HG ARG 57 -8.816 -0.836 -8.392 423 2HG ARG 57 2HG ARG 57 -8.249 -0.465 -10.021 424 1HD ARG 57 1HD ARG 57 -8.683 -3.289 -9.100 425 2HD ARG 57 2HD ARG 57 -10.002 -2.321 -9.757 426 HE ARG 57 HE ARG 57 -8.055 -2.101 -11.632 427 1HH1 ARG 57 1HH1 ARG 57 -9.589 -4.805 -10.056 428 2HH1 ARG 57 2HH1 ARG 57 -9.403 -5.866 -11.413 429 1HH2 ARG 57 1HH2 ARG 57 -7.800 -3.493 -13.419 430 2HH2 ARG 57 2HH2 ARG 57 -8.383 -5.120 -13.323 431 H ILE 58 H ILE 58 -4.196 0.002 -8.967 432 HA ILE 58 HA ILE 58 -4.781 2.089 -10.948 433 HB ILE 58 HB ILE 58 -3.575 3.604 -9.336 434 1HG1 ILE 58 1HG1 ILE 58 -3.876 1.226 -7.486 435 2HG1 ILE 58 2HG1 ILE 58 -2.348 1.809 -8.139 436 1HG2 ILE 58 1HG2 ILE 58 -6.038 2.191 -8.320 437 2HG2 ILE 58 2HG2 ILE 58 -6.012 3.500 -9.502 438 3HG2 ILE 58 3HG2 ILE 58 -5.495 3.800 -7.843 439 1HD1 ILE 58 1HD1 ILE 58 -2.645 2.562 -5.865 440 2HD1 ILE 58 2HD1 ILE 58 -4.183 3.313 -6.288 441 3HD1 ILE 58 3HD1 ILE 58 -2.681 3.937 -6.968 442 H GLU 59 H GLU 59 -3.069 -0.135 -11.604 443 HA GLU 59 HA GLU 59 -1.104 -0.566 -12.658 444 1HB GLU 59 1HB GLU 59 -0.985 2.449 -12.792 445 2HB GLU 59 2HB GLU 59 0.080 1.368 -13.679 446 1HG GLU 59 1HG GLU 59 -1.853 0.429 -14.849 447 2HG GLU 59 2HG GLU 59 -2.912 1.529 -13.966 448 H MET 60 H MET 60 -1.218 0.271 -9.647 449 HA MET 60 HA MET 60 1.409 1.209 -9.061 450 1HB MET 60 1HB MET 60 -0.339 1.613 -7.466 451 2HB MET 60 2HB MET 60 -0.712 -0.101 -7.356 452 1HG MET 60 1HG MET 60 0.509 0.743 -5.401 453 2HG MET 60 2HG MET 60 1.375 -0.539 -6.247 454 1HE MET 60 1HE MET 60 3.636 0.105 -4.966 455 2HE MET 60 2HE MET 60 2.706 1.325 -4.098 456 3HE MET 60 3HE MET 60 4.235 1.761 -4.861 457 H LEU 61 H LEU 61 0.183 -1.791 -10.019 458 HA LEU 61 HA LEU 61 2.752 -3.044 -9.616 459 1HB LEU 61 1HB LEU 61 1.501 -3.439 -7.488 460 2HB LEU 61 2HB LEU 61 0.287 -4.301 -8.414 461 HG LEU 61 HG LEU 61 2.041 -5.930 -9.108 462 1HD1 LEU 61 1HD1 LEU 61 3.726 -4.451 -7.092 463 2HD1 LEU 61 2HD1 LEU 61 3.995 -4.503 -8.834 464 3HD1 LEU 61 3HD1 LEU 61 4.151 -5.975 -7.875 465 1HD2 LEU 61 1HD2 LEU 61 0.554 -6.443 -7.265 466 2HD2 LEU 61 2HD2 LEU 61 1.613 -5.587 -6.144 467 3HD2 LEU 61 3HD2 LEU 61 2.170 -7.065 -6.931 468 H LYS 62 H LYS 62 3.038 -3.532 -11.717 469 HA LYS 62 HA LYS 62 0.859 -4.766 -13.223 470 1HB LYS 62 1HB LYS 62 3.580 -3.767 -14.086 471 2HB LYS 62 2HB LYS 62 2.401 -4.492 -15.170 472 1HG LYS 62 1HG LYS 62 1.478 -2.200 -13.548 473 2HG LYS 62 2HG LYS 62 2.647 -1.860 -14.823 474 1HD LYS 62 1HD LYS 62 0.492 -1.589 -15.781 475 2HD LYS 62 2HD LYS 62 1.131 -3.114 -16.396 476 1HE LYS 62 1HE LYS 62 -0.187 -4.339 -14.748 477 2HE LYS 62 2HE LYS 62 -0.804 -2.820 -14.100 478 1HZ LYS 62 1HZ LYS 62 -2.371 -3.882 -15.623 479 2HZ LYS 62 2HZ LYS 62 -1.235 -3.793 -16.873 480 3HZ LYS 62 3HZ LYS 62 -1.870 -2.376 -16.206 481 H GLY 63 H GLY 63 0.930 -6.767 -12.022 482 1HA GLY 63 1HA GLY 63 1.440 -9.021 -12.004 483 2HA GLY 63 2HA GLY 63 2.630 -8.715 -13.261 484 H THR 64 H THR 64 4.621 -7.555 -12.500 485 HA THR 64 HA THR 64 5.344 -8.066 -9.732 486 HB THR 64 HB THR 64 7.487 -9.147 -10.426 487 HG1 THR 64 1HG THR 64 6.437 -9.933 -12.862 488 1HG2 THR 64 1HG2 THR 64 5.668 -10.524 -9.592 489 2HG2 THR 64 2HG2 THR 64 6.514 -11.366 -10.890 490 3HG2 THR 64 3HG2 THR 64 4.957 -10.601 -11.204 491 H GLU 65 H GLU 65 4.896 -5.727 -11.488 492 HA GLU 65 HA GLU 65 7.584 -4.541 -11.442 493 1HB GLU 65 1HB GLU 65 5.135 -3.627 -12.951 494 2HB GLU 65 2HB GLU 65 6.743 -2.937 -13.062 495 1HG GLU 65 1HG GLU 65 7.589 -5.023 -13.995 496 2HG GLU 65 2HG GLU 65 5.977 -5.727 -13.877 497 H LEU 66 H LEU 66 7.898 -3.431 -9.610 498 HA LEU 66 HA LEU 66 5.767 -2.252 -8.115 499 1HB LEU 66 1HB LEU 66 8.765 -2.016 -7.901 500 2HB LEU 66 2HB LEU 66 7.662 -1.204 -6.807 501 HG LEU 66 HG LEU 66 7.811 -4.196 -7.168 502 1HD1 LEU 66 1HD1 LEU 66 8.937 -2.425 -5.006 503 2HD1 LEU 66 2HD1 LEU 66 9.857 -3.377 -6.171 504 3HD1 LEU 66 3HD1 LEU 66 8.876 -4.186 -4.949 505 1HD2 LEU 66 1HD2 LEU 66 6.335 -2.460 -5.194 506 2HD2 LEU 66 2HD2 LEU 66 6.463 -4.216 -5.099 507 3HD2 LEU 66 3HD2 LEU 66 5.621 -3.466 -6.456 508 H TYR 67 H TYR 67 4.961 -0.241 -8.183 509 HA TYR 67 HA TYR 67 6.317 1.723 -9.912 510 1HB TYR 67 1HB TYR 67 3.422 0.996 -9.669 511 2HB TYR 67 2HB TYR 67 3.865 2.638 -10.124 512 HD1 TYR 67 1HD TYR 67 4.245 -0.920 -11.106 513 HD2 TYR 67 2HD TYR 67 4.515 3.145 -12.327 514 HE1 TYR 67 1HE TYR 67 4.526 -1.646 -13.438 515 HE2 TYR 67 2HE TYR 67 4.796 2.432 -14.664 516 HH TYR 67 HH TYR 67 5.531 0.460 -15.912 517 H VAL 68 H VAL 68 5.474 4.030 -9.405 518 HA VAL 68 HA VAL 68 4.885 4.447 -6.588 519 HB VAL 68 HB VAL 68 6.778 6.102 -6.394 520 1HG1 VAL 68 1HG1 VAL 68 6.807 3.909 -5.297 521 2HG1 VAL 68 2HG1 VAL 68 8.421 4.417 -5.790 522 3HG1 VAL 68 3HG1 VAL 68 7.552 3.208 -6.733 523 1HG2 VAL 68 1HG2 VAL 68 8.712 5.782 -7.861 524 2HG2 VAL 68 2HG2 VAL 68 7.295 6.319 -8.765 525 3HG2 VAL 68 3HG2 VAL 68 7.788 4.627 -8.823 526 H GLU 69 H GLU 69 4.916 5.469 -9.846 527 HA GLU 69 HA GLU 69 4.481 8.214 -9.599 528 1HB GLU 69 1HB GLU 69 3.449 6.296 -11.693 529 2HB GLU 69 2HB GLU 69 3.385 8.048 -11.830 530 1HG GLU 69 1HG GLU 69 5.827 8.141 -11.724 531 2HG GLU 69 2HG GLU 69 5.882 6.382 -11.604 532 HA PRO 70 HA PRO 70 -0.311 7.236 -9.544 533 1HB PRO 70 1HB PRO 70 -0.929 4.821 -8.377 534 2HB PRO 70 2HB PRO 70 -0.876 5.105 -10.120 535 1HG PRO 70 1HG PRO 70 1.191 3.889 -8.336 536 2HG PRO 70 2HG PRO 70 0.688 3.401 -9.964 537 1HD PRO 70 1HD PRO 70 2.949 4.779 -9.546 538 2HD PRO 70 2HD PRO 70 1.946 5.054 -10.984 539 H VAL 71 H VAL 71 1.840 5.923 -7.071 540 HA VAL 71 HA VAL 71 0.113 6.532 -4.876 541 HB VAL 71 HB VAL 71 3.098 6.064 -4.837 542 1HG1 VAL 71 1HG1 VAL 71 1.033 5.835 -2.649 543 2HG1 VAL 71 2HG1 VAL 71 2.248 7.102 -2.800 544 3HG1 VAL 71 3HG1 VAL 71 2.745 5.439 -2.502 545 1HG2 VAL 71 1HG2 VAL 71 0.839 4.095 -4.495 546 2HG2 VAL 71 2HG2 VAL 71 2.558 3.743 -4.303 547 3HG2 VAL 71 3HG2 VAL 71 1.921 4.199 -5.884 548 H TYR 72 H TYR 72 3.017 8.089 -6.210 549 HA TYR 72 HA TYR 72 3.255 10.170 -4.399 550 1HB TYR 72 1HB TYR 72 3.853 10.113 -7.360 551 2HB TYR 72 2HB TYR 72 4.327 11.430 -6.300 552 HD1 TYR 72 1HD TYR 72 6.472 10.418 -7.690 553 HD2 TYR 72 2HD TYR 72 4.651 8.679 -4.258 554 HE1 TYR 72 1HE TYR 72 8.570 9.249 -7.173 555 HE2 TYR 72 2HE TYR 72 6.745 7.507 -3.734 556 HH TYR 72 HH TYR 72 9.699 8.247 -5.257 557 H LYS 73 H LYS 73 0.904 9.673 -6.877 558 HA LYS 73 HA LYS 73 0.047 12.434 -6.915 559 1HB LYS 73 1HB LYS 73 -0.873 9.951 -8.333 560 2HB LYS 73 2HB LYS 73 -1.796 11.446 -8.409 561 1HG LYS 73 1HG LYS 73 1.072 11.113 -9.269 562 2HG LYS 73 2HG LYS 73 -0.328 11.183 -10.342 563 1HD LYS 73 1HD LYS 73 -0.776 13.444 -9.738 564 2HD LYS 73 2HD LYS 73 0.393 13.388 -8.419 565 1HE LYS 73 1HE LYS 73 1.403 14.586 -10.203 566 2HE LYS 73 2HE LYS 73 2.174 13.002 -10.134 567 1HZ LYS 73 1HZ LYS 73 1.668 13.631 -12.406 568 2HZ LYS 73 2HZ LYS 73 0.029 13.801 -12.028 569 3HZ LYS 73 3HZ LYS 73 0.759 12.276 -11.958 570 H MET 74 H MET 74 -1.101 9.386 -5.504 571 HA MET 74 HA MET 74 -3.599 10.537 -4.702 572 1HB MET 74 1HB MET 74 -3.997 8.466 -3.512 573 2HB MET 74 2HB MET 74 -3.387 8.121 -5.126 574 1HG MET 74 1HG MET 74 -1.123 7.854 -4.095 575 2HG MET 74 2HG MET 74 -1.906 7.934 -2.521 576 1HE MET 74 1HE MET 74 -3.911 6.248 -1.846 577 2HE MET 74 2HE MET 74 -4.325 4.805 -2.771 578 3HE MET 74 3HE MET 74 -4.718 6.404 -3.406 579 H ILE 75 H ILE 75 -0.481 9.907 -3.163 580 HA ILE 75 HA ILE 75 -1.082 10.432 -0.524 581 HB ILE 75 HB ILE 75 1.404 11.276 -2.030 582 1HG1 ILE 75 1HG1 ILE 75 0.932 8.826 -0.322 583 2HG1 ILE 75 2HG1 ILE 75 0.826 8.832 -2.080 584 1HG2 ILE 75 1HG2 ILE 75 1.028 10.902 0.937 585 2HG2 ILE 75 2HG2 ILE 75 1.131 12.458 0.117 586 3HG2 ILE 75 3HG2 ILE 75 2.516 11.366 0.114 587 1HD1 ILE 75 1HD1 ILE 75 3.276 9.490 -0.462 588 2HD1 ILE 75 2HD1 ILE 75 3.170 9.479 -2.223 589 3HD1 ILE 75 3HD1 ILE 75 2.968 7.979 -1.317 590 H GLU 76 H GLU 76 -1.056 12.564 -3.224 591 HA GLU 76 HA GLU 76 -0.676 15.041 -1.980 592 1HB GLU 76 1HB GLU 76 -2.441 14.409 -4.353 593 2HB GLU 76 2HB GLU 76 -1.850 16.004 -3.909 594 1HG GLU 76 1HG GLU 76 0.456 15.230 -4.275 595 2HG GLU 76 2HG GLU 76 -0.170 13.659 -4.773 596 H VAL 77 H VAL 77 -3.786 13.496 -2.839 597 HA VAL 77 HA VAL 77 -5.212 15.339 -1.095 598 HB VAL 77 HB VAL 77 -6.354 13.048 -2.699 599 1HG1 VAL 77 1HG1 VAL 77 -7.797 13.963 -0.927 600 2HG1 VAL 77 2HG1 VAL 77 -8.441 14.273 -2.540 601 3HG1 VAL 77 3HG1 VAL 77 -7.642 15.566 -1.647 602 1HG2 VAL 77 1HG2 VAL 77 -5.135 14.518 -4.196 603 2HG2 VAL 77 2HG2 VAL 77 -5.957 15.925 -3.522 604 3HG2 VAL 77 3HG2 VAL 77 -6.871 14.719 -4.428 605 H VAL 78 H VAL 78 -4.026 12.117 -1.091 606 HA VAL 78 HA VAL 78 -5.715 10.986 0.862 607 HB VAL 78 HB VAL 78 -2.971 10.242 -0.155 608 1HG1 VAL 78 1HG1 VAL 78 -3.086 9.483 2.163 609 2HG1 VAL 78 2HG1 VAL 78 -3.197 8.116 1.057 610 3HG1 VAL 78 3HG1 VAL 78 -4.647 8.725 1.853 611 1HG2 VAL 78 1HG2 VAL 78 -4.157 8.415 -1.210 612 2HG2 VAL 78 2HG2 VAL 78 -4.899 9.951 -1.652 613 3HG2 VAL 78 3HG2 VAL 78 -5.665 8.917 -0.446 614 H HIS 79 H HIS 79 -3.475 13.428 1.114 615 HA HIS 79 HA HIS 79 -3.451 13.194 4.019 616 1HB HIS 79 1HB HIS 79 -0.949 13.586 2.362 617 2HB HIS 79 2HB HIS 79 -1.033 13.810 4.104 618 HD1 HIS 79 1HD HIS 79 -1.226 11.679 5.569 619 HD2 HIS 79 2HD HIS 79 -0.896 10.927 1.496 620 HE1 HIS 79 1HE HIS 79 -0.720 9.223 5.378 621 HE2 HIS 79 2HE HIS 79 -0.553 8.785 2.902 622 H ALA 80 H ALA 80 -5.099 14.845 2.725 623 HA ALA 80 HA ALA 80 -4.122 17.385 2.033 624 1HB ALA 80 1HB ALA 80 -6.831 16.685 3.162 625 2HB ALA 80 2HB ALA 80 -6.375 16.590 1.461 626 3HB ALA 80 3HB ALA 80 -6.415 18.152 2.278 627 H GLY 81 H GLY 81 -3.366 19.024 3.207 628 1HA GLY 81 1HA GLY 81 -4.097 20.273 5.387 629 2HA GLY 81 2HA GLY 81 -3.479 18.805 6.129 630 H ASN 82 H ASN 82 -1.201 18.223 5.547 631 HA ASN 82 HA ASN 82 0.422 20.673 5.504 632 1HB ASN 82 1HB ASN 82 1.066 17.902 6.534 633 2HB ASN 82 2HB ASN 82 2.198 19.250 6.519 634 1HD2 ASN 82 1HD2 ASN 82 2.431 19.308 8.723 635 2HD2 ASN 82 2HD2 ASN 82 1.177 19.839 9.789 636 H ALA 83 H ALA 83 1.960 21.002 4.000 637 HA ALA 83 HA ALA 83 1.837 19.523 1.575 638 1HB ALA 83 1HB ALA 83 2.276 21.927 1.619 639 2HB ALA 83 2HB ALA 83 3.562 21.055 0.784 640 3HB ALA 83 3HB ALA 83 3.813 21.634 2.430 641 H ASP 84 H ASP 84 3.936 19.412 4.369 642 HA ASP 84 HA ASP 84 5.934 17.821 3.008 643 1HB ASP 84 1HB ASP 84 5.677 18.416 5.962 644 2HB ASP 84 2HB ASP 84 7.080 17.731 5.140 645 H ASP 85 H ASP 85 3.073 17.299 4.899 646 HA ASP 85 HA ASP 85 3.574 14.697 5.822 647 1HB ASP 85 1HB ASP 85 1.592 16.203 6.406 648 2HB ASP 85 2HB ASP 85 0.881 15.696 4.878 649 H ILE 86 H ILE 86 2.835 16.019 2.747 650 HA ILE 86 HA ILE 86 2.212 13.498 1.478 651 HB ILE 86 HB ILE 86 2.714 16.243 0.302 652 1HG1 ILE 86 1HG1 ILE 86 0.085 14.801 0.684 653 2HG1 ILE 86 2HG1 ILE 86 0.717 15.985 1.824 654 1HG2 ILE 86 1HG2 ILE 86 1.731 15.381 -1.745 655 2HG2 ILE 86 2HG2 ILE 86 1.531 13.794 -1.004 656 3HG2 ILE 86 3HG2 ILE 86 3.149 14.431 -1.299 657 1HD1 ILE 86 1HD1 ILE 86 0.118 16.539 -1.072 658 2HD1 ILE 86 2HD1 ILE 86 0.622 17.710 0.147 659 3HD1 ILE 86 3HD1 ILE 86 -0.950 16.919 0.279 660 H GLN 87 H GLN 87 4.921 15.582 2.041 661 HA GLN 87 HA GLN 87 6.638 14.344 0.092 662 1HB GLN 87 1HB GLN 87 7.212 16.280 2.332 663 2HB GLN 87 2HB GLN 87 8.413 15.729 1.174 664 1HG GLN 87 1HG GLN 87 6.933 16.658 -0.630 665 2HG GLN 87 2HG GLN 87 5.971 17.383 0.654 666 1HE2 GLN 87 1HE2 GLN 87 7.517 18.643 -1.485 667 2HE2 GLN 87 2HE2 GLN 87 8.642 19.694 -0.702 668 H LEU 88 H LEU 88 5.679 13.739 3.312 669 HA LEU 88 HA LEU 88 8.024 12.280 4.098 670 1HB LEU 88 1HB LEU 88 6.657 13.368 5.783 671 2HB LEU 88 2HB LEU 88 5.259 12.428 5.300 672 HG LEU 88 HG LEU 88 6.399 10.374 6.067 673 1HD1 LEU 88 1HD1 LEU 88 8.425 10.567 7.430 674 2HD1 LEU 88 2HD1 LEU 88 8.518 12.284 7.038 675 3HD1 LEU 88 3HD1 LEU 88 8.704 11.078 5.765 676 1HD2 LEU 88 1HD2 LEU 88 6.198 10.821 8.458 677 2HD2 LEU 88 2HD2 LEU 88 4.880 11.568 7.556 678 3HD2 LEU 88 3HD2 LEU 88 6.219 12.556 8.140 679 H VAL 89 H VAL 89 4.662 11.346 3.351 680 HA VAL 89 HA VAL 89 5.009 8.588 3.429 681 HB VAL 89 HB VAL 89 3.160 10.056 1.544 682 1HG1 VAL 89 1HG1 VAL 89 1.745 8.051 1.825 683 2HG1 VAL 89 2HG1 VAL 89 3.031 7.306 2.775 684 3HG1 VAL 89 3HG1 VAL 89 3.300 7.692 1.076 685 1HG2 VAL 89 1HG2 VAL 89 2.595 9.214 4.382 686 2HG2 VAL 89 2HG2 VAL 89 1.521 10.091 3.294 687 3HG2 VAL 89 3HG2 VAL 89 2.990 10.861 3.893 688 H LYS 90 H LYS 90 5.619 10.896 0.857 689 HA LYS 90 HA LYS 90 6.058 9.092 -1.247 690 1HB LYS 90 1HB LYS 90 6.588 11.927 -0.696 691 2HB LYS 90 2HB LYS 90 7.736 11.191 -1.807 692 1HG LYS 90 1HG LYS 90 6.157 10.837 -3.421 693 2HG LYS 90 2HG LYS 90 4.832 10.743 -2.262 694 1HD LYS 90 1HD LYS 90 4.587 13.018 -2.150 695 2HD LYS 90 2HD LYS 90 6.275 13.329 -2.568 696 1HE LYS 90 1HE LYS 90 4.157 12.317 -4.462 697 2HE LYS 90 2HE LYS 90 4.723 13.983 -4.363 698 1HZ LYS 90 1HZ LYS 90 6.434 11.649 -5.029 699 2HZ LYS 90 2HZ LYS 90 6.912 13.271 -5.020 700 3HZ LYS 90 3HZ LYS 90 5.787 12.728 -6.160 701 H GLY 91 H GLY 91 8.070 10.133 1.402 702 1HA GLY 91 1HA GLY 91 10.491 9.012 0.275 703 2HA GLY 91 2HA GLY 91 10.310 9.717 1.875 704 H ILE 92 H ILE 92 7.907 7.951 2.322 705 HA ILE 92 HA ILE 92 9.326 5.788 3.540 706 HB ILE 92 HB ILE 92 6.343 6.144 3.228 707 1HG1 ILE 92 1HG1 ILE 92 7.305 8.048 4.399 708 2HG1 ILE 92 2HG1 ILE 92 6.428 7.032 5.537 709 1HG2 ILE 92 1HG2 ILE 92 6.935 3.860 3.755 710 2HG2 ILE 92 2HG2 ILE 92 6.205 4.630 5.164 711 3HG2 ILE 92 3HG2 ILE 92 7.951 4.403 5.091 712 1HD1 ILE 92 1HD1 ILE 92 8.479 7.784 6.532 713 2HD1 ILE 92 2HD1 ILE 92 9.411 7.160 5.171 714 3HD1 ILE 92 3HD1 ILE 92 8.572 6.046 6.252 715 H ALA 93 H ALA 93 7.197 6.136 0.743 716 HA ALA 93 HA ALA 93 6.876 3.440 0.101 717 1HB ALA 93 1HB ALA 93 7.017 5.795 -1.780 718 2HB ALA 93 2HB ALA 93 5.575 5.225 -0.941 719 3HB ALA 93 3HB ALA 93 6.346 4.208 -2.157 720 H ASN 94 H ASN 94 9.608 5.521 -0.215 721 HA ASN 94 HA ASN 94 10.974 3.999 -2.221 722 1HB ASN 94 1HB ASN 94 11.367 6.446 -1.714 723 2HB ASN 94 2HB ASN 94 12.191 5.936 -0.244 724 1HD2 ASN 94 1HD2 ASN 94 13.200 7.389 -2.563 725 2HD2 ASN 94 2HD2 ASN 94 14.528 6.462 -3.164 726 H GLU 95 H GLU 95 10.965 4.112 1.298 727 HA GLU 95 HA GLU 95 13.202 2.541 1.833 728 1HB GLU 95 1HB GLU 95 11.622 3.834 3.436 729 2HB GLU 95 2HB GLU 95 10.683 2.348 3.471 730 1HG GLU 95 1HG GLU 95 13.608 2.471 4.154 731 2HG GLU 95 2HG GLU 95 12.321 2.660 5.343 732 H CYS 96 H CYS 96 10.045 1.680 0.696 733 HA CYS 96 HA CYS 96 10.321 -1.136 1.245 734 1HB CYS 96 1HB CYS 96 8.291 0.516 -0.247 735 2HB CYS 96 2HB CYS 96 8.236 -1.244 -0.225 736 H ILE 97 H ILE 97 11.014 1.021 -1.403 737 HA ILE 97 HA ILE 97 11.194 -1.006 -3.414 738 HB ILE 97 HB ILE 97 12.494 1.719 -3.451 739 1HG1 ILE 97 1HG1 ILE 97 9.756 0.965 -4.487 740 2HG1 ILE 97 2HG1 ILE 97 10.035 1.794 -2.959 741 1HG2 ILE 97 1HG2 ILE 97 11.642 -0.135 -5.672 742 2HG2 ILE 97 2HG2 ILE 97 13.300 0.197 -5.169 743 3HG2 ILE 97 3HG2 ILE 97 12.322 1.479 -5.885 744 1HD1 ILE 97 1HD1 ILE 97 11.132 3.625 -4.226 745 2HD1 ILE 97 2HD1 ILE 97 9.424 3.406 -4.604 746 3HD1 ILE 97 3HD1 ILE 97 10.656 2.812 -5.717 747 H GLU 98 H GLU 98 13.275 0.148 -0.932 748 HA GLU 98 HA GLU 98 15.737 -0.672 -2.151 749 1HB GLU 98 1HB GLU 98 15.113 -0.029 0.735 750 2HB GLU 98 2HB GLU 98 16.723 -0.235 0.061 751 1HG GLU 98 1HG GLU 98 14.747 1.912 -0.672 752 2HG GLU 98 2HG GLU 98 16.193 2.110 0.316 753 H ASN 99 H ASN 99 13.335 -2.170 -0.103 754 HA ASN 99 HA ASN 99 15.071 -4.479 0.333 755 1HB ASN 99 1HB ASN 99 13.680 -5.096 2.083 756 2HB ASN 99 2HB ASN 99 13.599 -3.342 2.150 757 1HD2 ASN 99 1HD2 ASN 99 11.720 -2.298 1.508 758 2HD2 ASN 99 2HD2 ASN 99 10.216 -3.134 1.355 759 H ALA 100 H ALA 100 11.981 -3.609 -1.154 760 HA ALA 100 HA ALA 100 11.442 -6.284 -2.054 761 1HB ALA 100 1HB ALA 100 9.619 -4.729 -1.568 762 2HB ALA 100 2HB ALA 100 9.553 -5.292 -3.239 763 3HB ALA 100 3HB ALA 100 10.162 -3.678 -2.876 764 H LYS 101 H LYS 101 12.540 -3.276 -3.566 765 HA LYS 101 HA LYS 101 13.612 -2.821 -5.497 766 1HB LYS 101 1HB LYS 101 15.291 -4.324 -4.560 767 2HB LYS 101 2HB LYS 101 14.477 -5.707 -5.275 768 1HG LYS 101 1HG LYS 101 14.865 -4.615 -7.517 769 2HG LYS 101 2HG LYS 101 15.916 -3.478 -6.669 770 1HD LYS 101 1HD LYS 101 17.314 -5.196 -7.539 771 2HD LYS 101 2HD LYS 101 17.185 -5.472 -5.801 772 1HE LYS 101 1HE LYS 101 15.393 -7.136 -6.253 773 2HE LYS 101 2HE LYS 101 15.683 -6.917 -7.979 774 1HZ LYS 101 1HZ LYS 101 17.962 -7.668 -7.649 775 2HZ LYS 101 2HZ LYS 101 16.858 -8.844 -7.145 776 3HZ LYS 101 3HZ LYS 101 17.666 -7.900 -6.000 777 H GLY 102 H GLY 102 12.922 -6.214 -6.290 778 1HA GLY 102 1HA GLY 102 10.624 -5.779 -7.829 779 2HA GLY 102 2HA GLY 102 12.023 -5.641 -8.886 780 H GLU 103 H GLU 103 10.820 -7.783 -6.310 781 HA GLU 103 HA GLU 103 12.237 -10.062 -7.106 782 1HB GLU 103 1HB GLU 103 9.896 -9.503 -5.371 783 2HB GLU 103 2HB GLU 103 10.131 -11.170 -5.875 784 1HG GLU 103 1HG GLU 103 12.154 -9.458 -4.446 785 2HG GLU 103 2HG GLU 103 11.154 -10.708 -3.708 786 H THR 104 H THR 104 11.191 -12.123 -7.863 787 HA THR 104 HA THR 104 9.757 -11.557 -10.331 788 HB THR 104 HB THR 104 11.706 -13.000 -10.492 789 HG1 THR 104 1HG THR 104 9.883 -14.966 -10.953 790 1HG2 THR 104 1HG2 THR 104 11.673 -13.967 -8.253 791 2HG2 THR 104 2HG2 THR 104 11.710 -15.239 -9.474 792 3HG2 THR 104 3HG2 THR 104 10.201 -14.856 -8.643 793 H ASP 105 H ASP 105 9.118 -12.824 -7.196 794 HA ASP 105 HA ASP 105 6.656 -14.119 -8.097 795 1HB ASP 105 1HB ASP 105 8.107 -15.304 -6.466 796 2HB ASP 105 2HB ASP 105 7.833 -14.000 -5.315 797 H GLU 106 H GLU 106 4.621 -13.457 -7.484 798 HA GLU 106 HA GLU 106 4.244 -10.688 -7.102 799 1HB GLU 106 1HB GLU 106 2.566 -11.895 -8.277 800 2HB GLU 106 2HB GLU 106 2.350 -13.025 -6.948 801 1HG GLU 106 1HG GLU 106 0.532 -11.344 -7.191 802 2HG GLU 106 2HG GLU 106 1.297 -11.378 -5.607 803 H CYS 107 H CYS 107 3.071 -13.277 -4.942 804 HA CYS 107 HA CYS 107 2.489 -11.698 -2.772 805 1HB CYS 107 1HB CYS 107 3.268 -14.575 -3.025 806 2HB CYS 107 2HB CYS 107 3.075 -13.869 -1.424 807 H ASN 108 H ASN 108 5.608 -12.652 -3.913 808 HA ASN 108 HA ASN 108 6.993 -12.114 -1.456 809 1HB ASN 108 1HB ASN 108 7.836 -13.652 -3.270 810 2HB ASN 108 2HB ASN 108 8.164 -12.221 -4.241 811 1HD2 ASN 108 1HD2 ASN 108 9.958 -14.274 -3.151 812 2HD2 ASN 108 2HD2 ASN 108 11.138 -13.417 -2.226 813 H ILE 109 H ILE 109 6.632 -10.413 -4.562 814 HA ILE 109 HA ILE 109 8.090 -8.128 -3.945 815 HB ILE 109 HB ILE 109 6.069 -8.860 -5.942 816 1HG1 ILE 109 1HG1 ILE 109 8.517 -7.088 -6.037 817 2HG1 ILE 109 2HG1 ILE 109 8.495 -8.817 -6.353 818 1HG2 ILE 109 1HG2 ILE 109 4.888 -6.935 -5.113 819 2HG2 ILE 109 2HG2 ILE 109 5.639 -6.522 -6.654 820 3HG2 ILE 109 3HG2 ILE 109 6.362 -5.969 -5.145 821 1HD1 ILE 109 1HD1 ILE 109 7.035 -8.436 -8.277 822 2HD1 ILE 109 2HD1 ILE 109 8.567 -7.574 -8.418 823 3HD1 ILE 109 3HD1 ILE 109 7.102 -6.701 -7.967 824 H GLY 110 H GLY 110 4.666 -8.861 -3.379 825 1HA GLY 110 1HA GLY 110 3.993 -6.311 -2.333 826 2HA GLY 110 2HA GLY 110 3.058 -7.784 -2.147 827 H ASN 111 H ASN 111 4.685 -9.413 -0.710 828 HA ASN 111 HA ASN 111 4.328 -8.538 1.900 829 1HB ASN 111 1HB ASN 111 4.565 -10.869 1.550 830 2HB ASN 111 2HB ASN 111 6.118 -10.673 0.741 831 1HD2 ASN 111 1HD2 ASN 111 5.298 -8.926 3.639 832 2HD2 ASN 111 2HD2 ASN 111 6.352 -9.792 4.693 833 H LYS 112 H LYS 112 7.063 -8.143 -0.253 834 HA LYS 112 HA LYS 112 8.826 -7.163 1.782 835 1HB LYS 112 1HB LYS 112 8.949 -7.102 -1.232 836 2HB LYS 112 2HB LYS 112 10.217 -6.443 -0.209 837 1HG LYS 112 1HG LYS 112 9.290 -9.304 -0.102 838 2HG LYS 112 2HG LYS 112 10.654 -8.739 -1.068 839 1HD LYS 112 1HD LYS 112 11.717 -7.895 1.005 840 2HD LYS 112 2HD LYS 112 10.381 -8.580 1.934 841 1HE LYS 112 1HE LYS 112 10.948 -10.808 1.130 842 2HE LYS 112 2HE LYS 112 12.256 -10.138 0.157 843 1HZ LYS 112 1HZ LYS 112 12.082 -10.049 3.121 844 2HZ LYS 112 2HZ LYS 112 13.333 -9.393 2.192 845 3HZ LYS 112 3HZ LYS 112 13.088 -11.066 2.219 846 H TYR 113 H TYR 113 6.527 -5.759 -0.442 847 HA TYR 113 HA TYR 113 7.418 -3.044 0.069 848 1HB TYR 113 1HB TYR 113 6.254 -4.212 -2.077 849 2HB TYR 113 2HB TYR 113 4.837 -3.520 -1.297 850 HD1 TYR 113 1HD TYR 113 4.413 -1.185 -1.381 851 HD2 TYR 113 2HD TYR 113 8.126 -2.719 -2.777 852 HE1 TYR 113 1HE TYR 113 4.927 0.997 -2.392 853 HE2 TYR 113 2HE TYR 113 8.653 -0.543 -3.791 854 HH TYR 113 HH TYR 113 7.458 1.447 -4.605 855 H THR 114 H THR 114 4.228 -4.610 0.314 856 HA THR 114 HA THR 114 2.887 -2.762 1.799 857 HB THR 114 HB THR 114 1.412 -4.543 2.561 858 HG1 THR 114 1HG THR 114 2.357 -6.742 1.635 859 1HG2 THR 114 1HG2 THR 114 2.444 -5.085 -0.226 860 2HG2 THR 114 2HG2 THR 114 1.260 -3.854 0.214 861 3HG2 THR 114 3HG2 THR 114 0.869 -5.562 0.410 862 H ASP 115 H ASP 115 4.977 -5.333 3.065 863 HA ASP 115 HA ASP 115 4.547 -5.210 5.749 864 1HB ASP 115 1HB ASP 115 6.155 -6.733 4.705 865 2HB ASP 115 2HB ASP 115 7.241 -5.379 4.378 866 H CYS 116 H CYS 116 7.104 -3.308 4.160 867 HA CYS 116 HA CYS 116 7.637 -1.739 6.444 868 1HB CYS 116 1HB CYS 116 8.744 -0.246 4.553 869 2HB CYS 116 2HB CYS 116 9.450 -1.782 5.049 870 H TYR 117 H TYR 117 5.457 -1.300 3.737 871 HA TYR 117 HA TYR 117 5.003 1.421 3.851 872 1HB TYR 117 1HB TYR 117 4.023 -0.399 2.270 873 2HB TYR 117 2HB TYR 117 2.728 -0.503 3.456 874 HD1 TYR 117 1HD TYR 117 0.994 0.227 1.980 875 HD2 TYR 117 2HD TYR 117 4.422 2.675 2.604 876 HE1 TYR 117 1HE TYR 117 -0.152 2.109 0.887 877 HE2 TYR 117 2HE TYR 117 3.281 4.561 1.518 878 HH TYR 117 HH TYR 117 1.451 4.912 -0.108 879 H ILE 118 H ILE 118 3.314 -1.128 5.667 880 HA ILE 118 HA ILE 118 1.840 0.754 7.273 881 HB ILE 118 HB ILE 118 2.236 -2.208 7.730 882 1HG1 ILE 118 1HG1 ILE 118 -0.013 -0.806 6.271 883 2HG1 ILE 118 2HG1 ILE 118 1.305 -1.660 5.477 884 1HG2 ILE 118 1HG2 ILE 118 0.133 -2.036 8.989 885 2HG2 ILE 118 2HG2 ILE 118 0.131 -0.293 8.727 886 3HG2 ILE 118 3HG2 ILE 118 1.408 -1.039 9.689 887 1HD1 ILE 118 1HD1 ILE 118 -0.739 -2.877 7.320 888 2HD1 ILE 118 2HD1 ILE 118 0.592 -3.739 6.547 889 3HD1 ILE 118 3HD1 ILE 118 -0.689 -3.028 5.564 890 H GLU 119 H GLU 119 4.962 -0.647 7.386 891 HA GLU 119 HA GLU 119 5.357 -0.752 10.180 892 1HB GLU 119 1HB GLU 119 6.819 -1.886 8.548 893 2HB GLU 119 2HB GLU 119 7.404 -0.321 7.999 894 1HG GLU 119 1HG GLU 119 9.021 -1.277 9.472 895 2HG GLU 119 2HG GLU 119 8.274 0.102 10.275 896 H LYS 120 H LYS 120 6.543 1.695 7.847 897 HA LYS 120 HA LYS 120 7.089 3.514 10.036 898 1HB LYS 120 1HB LYS 120 7.480 3.787 7.059 899 2HB LYS 120 2HB LYS 120 7.965 4.997 8.242 900 1HG LYS 120 1HG LYS 120 9.365 3.178 9.318 901 2HG LYS 120 2HG LYS 120 9.060 2.230 7.862 902 1HD LYS 120 1HD LYS 120 10.067 3.963 6.491 903 2HD LYS 120 2HD LYS 120 10.310 4.975 7.916 904 1HE LYS 120 1HE LYS 120 11.762 3.202 8.864 905 2HE LYS 120 2HE LYS 120 11.588 2.300 7.360 906 1HZ LYS 120 1HZ LYS 120 12.602 4.157 6.181 907 2HZ LYS 120 2HZ LYS 120 13.637 3.570 7.384 908 3HZ LYS 120 3HZ LYS 120 12.780 5.008 7.632 909 H LEU 121 H LEU 121 5.137 3.699 7.043 910 HA LEU 121 HA LEU 121 3.857 6.113 8.005 911 1HB LEU 121 1HB LEU 121 4.554 5.319 5.545 912 2HB LEU 121 2HB LEU 121 2.905 4.740 5.555 913 HG LEU 121 HG LEU 121 3.201 6.972 4.523 914 1HD1 LEU 121 1HD1 LEU 121 1.471 7.091 6.973 915 2HD1 LEU 121 2HD1 LEU 121 1.054 6.190 5.517 916 3HD1 LEU 121 3HD1 LEU 121 1.244 7.941 5.446 917 1HD2 LEU 121 1HD2 LEU 121 3.734 7.916 7.331 918 2HD2 LEU 121 2HD2 LEU 121 3.618 8.911 5.881 919 3HD2 LEU 121 3HD2 LEU 121 4.955 7.779 6.068 920 H PHE 122 H PHE 122 3.270 2.795 8.332 921 HA PHE 122 HA PHE 122 1.532 1.649 9.247 922 1HB PHE 122 1HB PHE 122 0.760 2.872 10.954 923 2HB PHE 122 2HB PHE 122 1.083 4.373 10.098 924 HD1 PHE 122 1HD PHE 122 -1.420 1.741 10.702 925 HD2 PHE 122 2HD PHE 122 -0.657 5.593 9.063 926 HE1 PHE 122 1HE PHE 122 -3.839 2.124 10.481 927 HE2 PHE 122 2HE PHE 122 -3.068 5.986 8.849 928 HZ PHE 122 HZ PHE 122 -4.672 4.232 9.538 929 H SER 123 H SER 123 1.230 3.663 6.563 930 HA SER 123 HA SER 123 -0.671 1.903 5.335 931 1HB SER 123 1HB SER 123 -1.466 4.770 5.889 932 2HB SER 123 2HB SER 123 -2.313 3.698 4.774 933 HG SER 123 HG SER 123 -3.359 3.563 6.715 934 1H4 TSD 124 1H4 TSP 124 -2.803 2.257 -1.150 935 2H4 TSD 124 2H4 TSP 124 -1.955 0.858 -0.534 936 3H4 TSD 124 3H4 TSP 124 -2.600 2.047 0.573 937 1H5 TSD 124 1H5 TSP 124 -3.519 -1.643 -0.138 938 2H5 TSD 124 2H5 TSP 124 -3.553 -1.085 -1.795 939 3H5 TSD 124 3H5 TSP 124 -5.035 -1.570 -1.007 940 1H6 TSD 124 1H6 TSP 124 -5.201 1.675 -2.267 941 2H6 TSD 124 2H6 TSP 124 -5.906 2.361 -0.823 942 3H6 TSD 124 3H6 TSP 124 -6.456 0.810 -1.411 943 1D3 TSD 124 1D3 TSP 124 -4.131 0.116 2.043 944 2D3 TSD 124 2D3 TSP 124 -5.042 1.590 1.780 945 1D2 TSD 124 1D2 TSP 124 -6.122 -1.215 1.346 946 2D2 TSD 124 2D2 TSP 124 -7.031 0.285 1.167 Start of MODEL 9 1 HA ILE 1 HA ILE 1 -0.485 14.678 10.433 2 HB ILE 1 HB ILE 1 -0.545 12.801 8.833 3 1HG1 ILE 1 1HG1 ILE 1 1.698 11.619 10.488 4 2HG1 ILE 1 2HG1 ILE 1 0.039 11.035 10.525 5 1HG2 ILE 1 1HG2 ILE 1 2.051 14.121 9.524 6 2HG2 ILE 1 2HG2 ILE 1 0.940 14.465 8.197 7 3HG2 ILE 1 3HG2 ILE 1 1.942 13.016 8.155 8 1HD1 ILE 1 1HD1 ILE 1 1.842 11.061 8.116 9 2HD1 ILE 1 2HD1 ILE 1 0.183 10.465 8.160 10 3HD1 ILE 1 3HD1 ILE 1 1.437 9.653 9.100 11 H ASP 2 H ASP 2 -2.629 14.107 10.255 12 HA ASP 2 HA ASP 2 -3.733 12.684 12.482 13 1HB ASP 2 1HB ASP 2 -4.776 14.716 11.482 14 2HB ASP 2 2HB ASP 2 -5.149 13.774 10.042 15 H GLN 3 H GLN 3 -4.815 10.752 12.511 16 HA GLN 3 HA GLN 3 -3.972 8.766 10.675 17 1HB GLN 3 1HB GLN 3 -4.538 8.410 13.104 18 2HB GLN 3 2HB GLN 3 -6.233 8.569 12.662 19 1HG GLN 3 1HG GLN 3 -6.136 6.609 11.303 20 2HG GLN 3 2HG GLN 3 -4.387 6.509 11.486 21 1HE2 GLN 3 1HE2 GLN 3 -6.623 7.267 14.094 22 2HE2 GLN 3 2HE2 GLN 3 -6.359 5.814 14.985 23 H ASP 4 H ASP 4 -6.263 11.111 10.323 24 HA ASP 4 HA ASP 4 -8.259 9.554 8.939 25 1HB ASP 4 1HB ASP 4 -8.917 11.542 10.210 26 2HB ASP 4 2HB ASP 4 -7.922 12.550 9.163 27 H THR 5 H THR 5 -6.033 12.170 7.959 28 HA THR 5 HA THR 5 -6.471 12.142 5.240 29 HB THR 5 HB THR 5 -5.017 13.775 6.416 30 HG1 THR 5 1HG THR 5 -3.581 13.971 4.656 31 1HG2 THR 5 1HG2 THR 5 -2.986 11.538 6.333 32 2HG2 THR 5 2HG2 THR 5 -3.716 12.231 7.782 33 3HG2 THR 5 3HG2 THR 5 -2.653 13.214 6.776 34 H VAL 6 H VAL 6 -4.745 9.834 7.162 35 HA VAL 6 HA VAL 6 -3.543 8.545 4.861 36 HB VAL 6 HB VAL 6 -3.551 7.782 7.783 37 1HG1 VAL 6 1HG1 VAL 6 -1.768 6.194 7.172 38 2HG1 VAL 6 2HG1 VAL 6 -2.051 6.557 5.470 39 3HG1 VAL 6 3HG1 VAL 6 -3.316 5.789 6.431 40 1HG2 VAL 6 1HG2 VAL 6 -1.399 8.989 6.048 41 2HG2 VAL 6 2HG2 VAL 6 -1.221 8.520 7.738 42 3HG2 VAL 6 3HG2 VAL 6 -2.317 9.829 7.298 43 H VAL 7 H VAL 7 -5.628 7.351 7.500 44 HA VAL 7 HA VAL 7 -6.366 4.982 6.188 45 HB VAL 7 HB VAL 7 -7.822 6.445 8.389 46 1HG1 VAL 7 1HG1 VAL 7 -8.026 3.572 7.488 47 2HG1 VAL 7 2HG1 VAL 7 -9.262 4.814 7.294 48 3HG1 VAL 7 3HG1 VAL 7 -8.814 4.263 8.907 49 1HG2 VAL 7 1HG2 VAL 7 -5.514 5.915 8.972 50 2HG2 VAL 7 2HG2 VAL 7 -5.772 4.234 8.509 51 3HG2 VAL 7 3HG2 VAL 7 -6.639 4.912 9.889 52 H ALA 8 H ALA 8 -8.349 7.899 6.753 53 HA ALA 8 HA ALA 8 -10.597 7.130 5.354 54 1HB ALA 8 1HB ALA 8 -10.432 9.131 6.787 55 2HB ALA 8 2HB ALA 8 -11.189 9.460 5.228 56 3HB ALA 8 3HB ALA 8 -9.515 9.935 5.513 57 H LYS 9 H LYS 9 -7.548 8.278 4.063 58 HA LYS 9 HA LYS 9 -8.702 8.658 1.418 59 1HB LYS 9 1HB LYS 9 -6.035 9.184 2.651 60 2HB LYS 9 2HB LYS 9 -6.136 9.012 0.904 61 1HG LYS 9 1HG LYS 9 -6.267 11.342 1.527 62 2HG LYS 9 2HG LYS 9 -7.798 10.812 0.831 63 1HD LYS 9 1HD LYS 9 -8.661 10.500 3.152 64 2HD LYS 9 2HD LYS 9 -7.164 11.220 3.751 65 1HE LYS 9 1HE LYS 9 -8.929 12.885 3.655 66 2HE LYS 9 2HE LYS 9 -7.658 13.268 2.497 67 1HZ LYS 9 1HZ LYS 9 -9.855 13.563 1.537 68 2HZ LYS 9 2HZ LYS 9 -10.238 11.946 1.851 69 3HZ LYS 9 3HZ LYS 9 -9.020 12.325 0.740 70 H TYR 10 H TYR 10 -6.010 6.689 2.726 71 HA TYR 10 HA TYR 10 -5.568 5.119 0.506 72 1HB TYR 10 1HB TYR 10 -5.183 4.676 3.434 73 2HB TYR 10 2HB TYR 10 -4.975 3.311 2.344 74 HD1 TYR 10 1HD TYR 10 -3.435 3.824 0.243 75 HD2 TYR 10 2HD TYR 10 -3.331 5.973 3.913 76 HE1 TYR 10 1HE TYR 10 -1.145 4.562 -0.261 77 HE2 TYR 10 2HE TYR 10 -1.041 6.718 3.417 78 HH TYR 10 HH TYR 10 0.384 6.357 0.343 79 H MET 11 H MET 11 -8.284 5.102 2.593 80 HA MET 11 HA MET 11 -9.134 2.424 1.893 81 1HB MET 11 1HB MET 11 -9.636 3.315 4.118 82 2HB MET 11 2HB MET 11 -10.544 4.636 3.399 83 1HG MET 11 1HG MET 11 -12.009 2.906 4.278 84 2HG MET 11 2HG MET 11 -12.182 3.083 2.533 85 1HE MET 11 1HE MET 11 -13.230 0.538 4.262 86 2HE MET 11 2HE MET 11 -12.817 -0.747 3.126 87 3HE MET 11 3HE MET 11 -13.491 0.771 2.532 88 H GLU 12 H GLU 12 -10.506 5.678 1.455 89 HA GLU 12 HA GLU 12 -12.465 4.850 -0.427 90 1HB GLU 12 1HB GLU 12 -12.812 6.801 0.955 91 2HB GLU 12 2HB GLU 12 -11.384 7.578 0.285 92 1HG GLU 12 1HG GLU 12 -12.515 7.555 -1.939 93 2HG GLU 12 2HG GLU 12 -13.962 6.973 -1.126 94 H TYR 13 H TYR 13 -9.161 5.760 -0.732 95 HA TYR 13 HA TYR 13 -9.273 6.624 -3.458 96 1HB TYR 13 1HB TYR 13 -7.523 7.201 -1.642 97 2HB TYR 13 2HB TYR 13 -6.788 5.660 -2.070 98 HD1 TYR 13 1HD TYR 13 -7.474 9.081 -3.183 99 HD2 TYR 13 2HD TYR 13 -5.709 5.352 -4.221 100 HE1 TYR 13 1HE TYR 13 -6.298 10.164 -5.053 101 HE2 TYR 13 2HE TYR 13 -4.529 6.424 -6.091 102 HH TYR 13 HH TYR 13 -4.268 9.774 -6.425 103 H LEU 14 H LEU 14 -9.012 3.564 -1.871 104 HA LEU 14 HA LEU 14 -8.670 2.287 -4.493 105 1HB LEU 14 1HB LEU 14 -7.267 1.449 -1.957 106 2HB LEU 14 2HB LEU 14 -7.203 0.597 -3.486 107 HG LEU 14 HG LEU 14 -6.165 3.398 -3.045 108 1HD1 LEU 14 1HD1 LEU 14 -4.855 1.764 -1.794 109 2HD1 LEU 14 2HD1 LEU 14 -3.943 2.395 -3.166 110 3HD1 LEU 14 3HD1 LEU 14 -4.666 0.790 -3.253 111 1HD2 LEU 14 1HD2 LEU 14 -5.901 1.507 -5.381 112 2HD2 LEU 14 2HD2 LEU 14 -5.099 3.072 -5.229 113 3HD2 LEU 14 3HD2 LEU 14 -6.858 2.988 -5.339 114 H MET 15 H MET 15 -10.873 2.759 -2.356 115 HA MET 15 HA MET 15 -11.614 0.303 -1.254 116 1HB MET 15 1HB MET 15 -12.597 2.741 -0.979 117 2HB MET 15 2HB MET 15 -13.731 2.181 -2.198 118 1HG MET 15 1HG MET 15 -13.215 0.787 0.415 119 2HG MET 15 2HG MET 15 -14.533 1.920 0.127 120 1HE MET 15 1HE MET 15 -16.646 0.026 -2.577 121 2HE MET 15 2HE MET 15 -15.391 1.238 -2.833 122 3HE MET 15 3HE MET 15 -16.567 1.445 -1.533 123 HA PRO 16 HA PRO 16 -14.296 -0.509 -5.209 124 1HB PRO 16 1HB PRO 16 -13.141 1.242 -7.266 125 2HB PRO 16 2HB PRO 16 -14.834 1.007 -6.816 126 1HG PRO 16 1HG PRO 16 -13.543 3.287 -6.248 127 2HG PRO 16 2HG PRO 16 -14.745 2.597 -5.140 128 1HD PRO 16 1HD PRO 16 -11.751 2.438 -5.013 129 2HD PRO 16 2HD PRO 16 -12.910 2.802 -3.717 130 H ASP 17 H ASP 17 -10.954 -0.126 -4.977 131 HA ASP 17 HA ASP 17 -10.443 -2.001 -7.180 132 1HB ASP 17 1HB ASP 17 -8.547 -0.226 -5.632 133 2HB ASP 17 2HB ASP 17 -8.058 -1.348 -6.898 134 H ILE 18 H ILE 18 -10.652 -1.772 -3.794 135 HA ILE 18 HA ILE 18 -8.923 -4.057 -3.295 136 HB ILE 18 HB ILE 18 -10.531 -2.265 -1.485 137 1HG1 ILE 18 1HG1 ILE 18 -7.572 -2.883 -1.547 138 2HG1 ILE 18 2HG1 ILE 18 -8.303 -1.524 -2.393 139 1HG2 ILE 18 1HG2 ILE 18 -9.586 -3.569 0.412 140 2HG2 ILE 18 2HG2 ILE 18 -9.044 -4.783 -0.748 141 3HG2 ILE 18 3HG2 ILE 18 -10.767 -4.464 -0.545 142 1HD1 ILE 18 1HD1 ILE 18 -9.066 -0.612 -0.263 143 2HD1 ILE 18 2HD1 ILE 18 -7.318 -0.831 -0.288 144 3HD1 ILE 18 3HD1 ILE 18 -8.338 -1.977 0.581 145 H MET 19 H MET 19 -12.377 -3.241 -2.940 146 HA MET 19 HA MET 19 -13.318 -5.607 -1.906 147 1HB MET 19 1HB MET 19 -14.693 -3.884 -3.971 148 2HB MET 19 2HB MET 19 -15.479 -5.076 -2.945 149 1HG MET 19 1HG MET 19 -14.077 -2.582 -2.022 150 2HG MET 19 2HG MET 19 -15.820 -2.835 -2.096 151 1HE MET 19 1HE MET 19 -16.297 -5.670 0.596 152 2HE MET 19 2HE MET 19 -16.005 -5.888 -1.128 153 3HE MET 19 3HE MET 19 -17.110 -4.631 -0.574 154 HA PRO 20 HA PRO 20 -13.907 -7.235 -6.561 155 1HB PRO 20 1HB PRO 20 -11.345 -6.050 -7.533 156 2HB PRO 20 2HB PRO 20 -12.844 -6.367 -8.415 157 1HG PRO 20 1HG PRO 20 -12.234 -3.898 -7.676 158 2HG PRO 20 2HG PRO 20 -13.903 -4.485 -7.549 159 1HD PRO 20 1HD PRO 20 -11.863 -4.090 -5.405 160 2HD PRO 20 2HD PRO 20 -13.618 -3.823 -5.360 161 H CYS 21 H CYS 21 -10.522 -6.681 -5.531 162 HA CYS 21 HA CYS 21 -9.811 -9.398 -6.129 163 1HB CYS 21 1HB CYS 21 -8.412 -6.996 -5.748 164 2HB CYS 21 2HB CYS 21 -7.878 -8.065 -4.453 165 H ALA 22 H ALA 22 -11.021 -7.737 -3.359 166 HA ALA 22 HA ALA 22 -10.020 -9.276 -1.269 167 1HB ALA 22 1HB ALA 22 -12.793 -8.105 -1.517 168 2HB ALA 22 2HB ALA 22 -11.362 -7.260 -0.923 169 3HB ALA 22 3HB ALA 22 -12.017 -8.625 -0.020 170 H ASP 23 H ASP 23 -12.599 -9.954 -3.551 171 HA ASP 23 HA ASP 23 -13.363 -12.402 -2.207 172 1HB ASP 23 1HB ASP 23 -14.209 -11.223 -4.863 173 2HB ASP 23 2HB ASP 23 -14.891 -12.685 -4.157 174 H GLU 24 H GLU 24 -11.044 -11.403 -4.465 175 HA GLU 24 HA GLU 24 -10.811 -13.635 -6.127 176 1HB GLU 24 1HB GLU 24 -9.638 -11.295 -6.193 177 2HB GLU 24 2HB GLU 24 -8.388 -12.107 -5.262 178 1HG GLU 24 1HG GLU 24 -9.392 -12.980 -7.961 179 2HG GLU 24 2HG GLU 24 -7.908 -12.078 -7.664 180 H LEU 25 H LEU 25 -9.050 -12.932 -3.062 181 HA LEU 25 HA LEU 25 -8.021 -15.680 -3.125 182 1HB LEU 25 1HB LEU 25 -7.479 -13.557 -1.055 183 2HB LEU 25 2HB LEU 25 -6.537 -15.002 -1.381 184 HG LEU 25 HG LEU 25 -6.813 -12.793 -3.410 185 1HD1 LEU 25 1HD1 LEU 25 -5.896 -11.848 -1.345 186 2HD1 LEU 25 2HD1 LEU 25 -4.687 -11.920 -2.627 187 3HD1 LEU 25 3HD1 LEU 25 -4.661 -13.107 -1.322 188 1HD2 LEU 25 1HD2 LEU 25 -4.740 -13.756 -4.281 189 2HD2 LEU 25 2HD2 LEU 25 -6.042 -14.946 -4.249 190 3HD2 LEU 25 3HD2 LEU 25 -4.781 -14.984 -3.017 191 H HIS 26 H HIS 26 -9.944 -13.529 -1.077 192 HA HIS 26 HA HIS 26 -11.701 -15.459 -0.141 193 1HB HIS 26 1HB HIS 26 -9.547 -16.294 0.971 194 2HB HIS 26 2HB HIS 26 -9.633 -14.850 1.974 195 HD1 HIS 26 1HD HIS 26 -11.210 -18.182 1.458 196 HD2 HIS 26 2HD HIS 26 -11.697 -14.850 3.893 197 HE1 HIS 26 1HE HIS 26 -12.762 -18.915 3.298 198 HE2 HIS 26 2HE HIS 26 -13.069 -16.872 4.742 199 H ILE 27 H ILE 27 -9.772 -12.885 1.268 200 HA ILE 27 HA ILE 27 -12.070 -11.104 1.509 201 HB ILE 27 HB ILE 27 -11.347 -10.647 3.924 202 1HG1 ILE 27 1HG1 ILE 27 -9.840 -13.180 3.307 203 2HG1 ILE 27 2HG1 ILE 27 -9.268 -11.713 4.093 204 1HG2 ILE 27 1HG2 ILE 27 -12.602 -13.321 3.293 205 2HG2 ILE 27 2HG2 ILE 27 -13.444 -11.771 3.327 206 3HG2 ILE 27 3HG2 ILE 27 -12.756 -12.433 4.810 207 1HD1 ILE 27 1HD1 ILE 27 -11.062 -13.813 5.276 208 2HD1 ILE 27 2HD1 ILE 27 -10.693 -12.275 6.051 209 3HD1 ILE 27 3HD1 ILE 27 -9.402 -13.432 5.732 210 H SER 28 H SER 28 -11.267 -8.919 2.422 211 HA SER 28 HA SER 28 -8.856 -8.202 1.007 212 1HB SER 28 1HB SER 28 -9.412 -5.913 1.569 213 2HB SER 28 2HB SER 28 -10.878 -6.730 1.030 214 HG SER 28 HG SER 28 -11.711 -6.238 2.884 215 H GLU 29 H GLU 29 -7.011 -7.207 1.980 216 HA GLU 29 HA GLU 29 -6.100 -8.510 4.292 217 1HB GLU 29 1HB GLU 29 -4.113 -7.253 4.085 218 2HB GLU 29 2HB GLU 29 -4.689 -7.510 2.446 219 1HG GLU 29 1HG GLU 29 -5.007 -4.992 4.063 220 2HG GLU 29 2HG GLU 29 -3.863 -5.254 2.745 221 H ASP 30 H ASP 30 -8.242 -5.950 4.052 222 HA ASP 30 HA ASP 30 -7.466 -4.679 6.546 223 1HB ASP 30 1HB ASP 30 -8.349 -3.299 4.701 224 2HB ASP 30 2HB ASP 30 -9.868 -4.189 4.768 225 H ILE 31 H ILE 31 -10.073 -6.687 5.270 226 HA ILE 31 HA ILE 31 -11.281 -6.939 7.911 227 HB ILE 31 HB ILE 31 -12.126 -8.339 5.374 228 1HG1 ILE 31 1HG1 ILE 31 -13.153 -5.694 6.423 229 2HG1 ILE 31 2HG1 ILE 31 -12.020 -5.852 5.086 230 1HG2 ILE 31 1HG2 ILE 31 -13.081 -9.273 7.388 231 2HG2 ILE 31 2HG2 ILE 31 -14.326 -8.397 6.499 232 3HG2 ILE 31 3HG2 ILE 31 -13.587 -7.672 7.926 233 1HD1 ILE 31 1HD1 ILE 31 -14.284 -5.500 4.292 234 2HD1 ILE 31 2HD1 ILE 31 -14.826 -6.937 5.159 235 3HD1 ILE 31 3HD1 ILE 31 -13.693 -7.091 3.816 236 H ALA 32 H ALA 32 -8.822 -8.361 6.207 237 HA ALA 32 HA ALA 32 -9.246 -11.099 6.930 238 1HB ALA 32 1HB ALA 32 -6.992 -11.468 6.075 239 2HB ALA 32 2HB ALA 32 -6.737 -9.726 5.974 240 3HB ALA 32 3HB ALA 32 -7.947 -10.502 4.949 241 H THR 33 H THR 33 -8.765 -8.593 8.851 242 HA THR 33 HA THR 33 -6.550 -9.243 10.453 243 HB THR 33 HB THR 33 -7.611 -7.058 10.591 244 HG1 THR 33 1HG THR 33 -8.130 -7.497 13.122 245 1HG2 THR 33 1HG2 THR 33 -9.939 -8.507 11.859 246 2HG2 THR 33 2HG2 THR 33 -9.938 -7.754 10.264 247 3HG2 THR 33 3HG2 THR 33 -9.765 -6.759 11.709 248 H ASN 34 H ASN 34 -9.266 -11.058 9.946 249 HA ASN 34 HA ASN 34 -9.833 -11.978 12.576 250 1HB ASN 34 1HB ASN 34 -10.353 -13.266 9.888 251 2HB ASN 34 2HB ASN 34 -11.014 -13.835 11.418 252 1HD2 ASN 34 1HD2 ASN 34 -11.399 -11.149 12.466 253 2HD2 ASN 34 2HD2 ASN 34 -12.767 -10.499 11.636 254 H ILE 35 H ILE 35 -7.188 -12.452 10.566 255 HA ILE 35 HA ILE 35 -6.525 -15.049 11.769 256 HB ILE 35 HB ILE 35 -5.209 -13.618 9.456 257 1HG1 ILE 35 1HG1 ILE 35 -6.969 -16.079 9.463 258 2HG1 ILE 35 2HG1 ILE 35 -7.506 -14.469 8.998 259 1HG2 ILE 35 1HG2 ILE 35 -4.011 -15.735 9.110 260 2HG2 ILE 35 2HG2 ILE 35 -4.734 -16.373 10.588 261 3HG2 ILE 35 3HG2 ILE 35 -3.626 -15.003 10.667 262 1HD1 ILE 35 1HD1 ILE 35 -5.376 -16.090 7.623 263 2HD1 ILE 35 2HD1 ILE 35 -5.899 -14.472 7.158 264 3HD1 ILE 35 3HD1 ILE 35 -7.023 -15.827 7.051 265 H GLN 36 H GLN 36 -5.199 -11.803 11.213 266 HA GLN 36 HA GLN 36 -3.609 -10.588 12.288 267 1HB GLN 36 1HB GLN 36 -4.126 -12.511 14.561 268 2HB GLN 36 2HB GLN 36 -3.291 -10.969 14.688 269 1HG GLN 36 1HG GLN 36 -5.339 -9.810 14.027 270 2HG GLN 36 2HG GLN 36 -6.173 -11.359 13.913 271 1HE2 GLN 36 1HE2 GLN 36 -6.730 -9.043 15.603 272 2HE2 GLN 36 2HE2 GLN 36 -6.693 -9.620 17.230 273 H ALA 37 H ALA 37 -1.745 -10.917 11.193 274 HA ALA 37 HA ALA 37 -0.227 -13.358 11.568 275 1HB ALA 37 1HB ALA 37 -0.338 -12.406 9.339 276 2HB ALA 37 2HB ALA 37 1.326 -12.395 9.923 277 3HB ALA 37 3HB ALA 37 0.382 -10.906 9.922 278 H ALA 38 H ALA 38 0.938 -9.989 11.566 279 HA ALA 38 HA ALA 38 1.693 -9.733 14.203 280 1HB ALA 38 1HB ALA 38 4.126 -10.266 14.128 281 2HB ALA 38 2HB ALA 38 3.860 -11.048 12.570 282 3HB ALA 38 3HB ALA 38 3.080 -11.681 14.019 283 H LYS 39 H LYS 39 2.195 -8.970 10.867 284 HA LYS 39 HA LYS 39 4.091 -6.904 11.159 285 1HB LYS 39 1HB LYS 39 3.528 -7.963 9.002 286 2HB LYS 39 2HB LYS 39 1.952 -7.188 9.047 287 1HG LYS 39 1HG LYS 39 3.337 -5.924 7.593 288 2HG LYS 39 2HG LYS 39 3.117 -4.982 9.067 289 1HD LYS 39 1HD LYS 39 5.469 -6.780 8.963 290 2HD LYS 39 2HD LYS 39 5.507 -5.358 7.922 291 1HE LYS 39 1HE LYS 39 5.104 -5.395 10.911 292 2HE LYS 39 2HE LYS 39 6.544 -4.855 10.051 293 1HZ LYS 39 1HZ LYS 39 5.173 -2.994 10.750 294 2HZ LYS 39 2HZ LYS 39 3.860 -3.599 9.873 295 3HZ LYS 39 3HZ LYS 39 5.247 -3.077 9.060 296 H ASN 40 H ASN 40 0.581 -6.568 10.573 297 HA ASN 40 HA ASN 40 0.656 -4.126 12.213 298 1HB ASN 40 1HB ASN 40 -0.894 -3.021 10.719 299 2HB ASN 40 2HB ASN 40 0.517 -3.540 9.806 300 1HD2 ASN 40 1HD2 ASN 40 -0.311 -6.329 9.699 301 2HD2 ASN 40 2HD2 ASN 40 -1.619 -6.404 8.577 302 H GLY 41 H GLY 41 -0.528 -7.164 11.967 303 1HA GLY 41 1HA GLY 41 -1.974 -8.005 13.694 304 2HA GLY 41 2HA GLY 41 -2.850 -6.481 13.644 305 H ALA 42 H ALA 42 -2.449 -6.914 10.537 306 HA ALA 42 HA ALA 42 -5.057 -8.139 10.183 307 1HB ALA 42 1HB ALA 42 -4.519 -6.100 8.961 308 2HB ALA 42 2HB ALA 42 -4.844 -7.434 7.856 309 3HB ALA 42 3HB ALA 42 -3.183 -6.924 8.155 310 H ASP 43 H ASP 43 -2.158 -8.540 8.175 311 HA ASP 43 HA ASP 43 -1.584 -11.197 8.641 312 1HB ASP 43 1HB ASP 43 -3.978 -11.531 7.874 313 2HB ASP 43 2HB ASP 43 -3.469 -10.968 6.287 314 H MET 44 H MET 44 0.477 -10.552 8.166 315 HA MET 44 HA MET 44 1.452 -8.978 6.159 316 1HB MET 44 1HB MET 44 3.072 -9.611 7.663 317 2HB MET 44 2HB MET 44 2.559 -11.290 7.681 318 1HG MET 44 1HG MET 44 3.601 -11.679 5.545 319 2HG MET 44 2HG MET 44 4.018 -9.974 5.399 320 1HE MET 44 1HE MET 44 4.952 -9.343 8.462 321 2HE MET 44 2HE MET 44 5.708 -8.741 6.987 322 3HE MET 44 3HE MET 44 6.687 -9.535 8.219 323 H SER 45 H SER 45 0.666 -12.428 5.917 324 HA SER 45 HA SER 45 1.739 -12.844 3.354 325 1HB SER 45 1HB SER 45 0.280 -14.854 3.296 326 2HB SER 45 2HB SER 45 1.197 -14.715 4.795 327 HG SER 45 HG SER 45 -1.078 -15.240 5.042 328 H GLN 46 H GLN 46 -1.682 -12.330 4.269 329 HA GLN 46 HA GLN 46 -2.459 -12.032 1.524 330 1HB GLN 46 1HB GLN 46 -3.838 -12.035 4.145 331 2HB GLN 46 2HB GLN 46 -4.635 -11.178 2.832 332 1HG GLN 46 1HG GLN 46 -5.182 -13.668 3.232 333 2HG GLN 46 2HG GLN 46 -4.942 -13.092 1.585 334 1HE2 GLN 46 1HE2 GLN 46 -3.078 -13.676 0.467 335 2HE2 GLN 46 2HE2 GLN 46 -2.070 -14.984 0.975 336 H LEU 47 H LEU 47 -1.112 -9.919 3.784 337 HA LEU 47 HA LEU 47 -2.384 -7.545 2.715 338 1HB LEU 47 1HB LEU 47 -1.870 -7.437 5.036 339 2HB LEU 47 2HB LEU 47 -0.238 -8.000 4.774 340 HG LEU 47 HG LEU 47 0.238 -5.838 3.594 341 1HD1 LEU 47 1HD1 LEU 47 -2.467 -5.116 4.701 342 2HD1 LEU 47 2HD1 LEU 47 -2.006 -5.193 3.001 343 3HD1 LEU 47 3HD1 LEU 47 -1.297 -3.967 4.053 344 1HD2 LEU 47 1HD2 LEU 47 -0.644 -5.728 6.475 345 2HD2 LEU 47 2HD2 LEU 47 0.386 -4.536 5.682 346 3HD2 LEU 47 3HD2 LEU 47 0.948 -6.196 5.877 347 H GLY 48 H GLY 48 0.551 -9.360 2.355 348 1HA GLY 48 1HA GLY 48 1.667 -7.363 0.543 349 2HA GLY 48 2HA GLY 48 2.444 -8.860 1.061 350 H CYS 49 H CYS 49 -0.804 -9.181 0.226 351 HA CYS 49 HA CYS 49 -0.169 -10.100 -2.480 352 1HB CYS 49 1HB CYS 49 -0.860 -11.706 -0.256 353 2HB CYS 49 2HB CYS 49 -2.230 -11.705 -1.354 354 H LEU 50 H LEU 50 -3.085 -10.178 -0.480 355 HA LEU 50 HA LEU 50 -4.889 -9.495 -2.447 356 1HB LEU 50 1HB LEU 50 -5.375 -10.303 -0.103 357 2HB LEU 50 2HB LEU 50 -5.107 -8.664 0.446 358 HG LEU 50 HG LEU 50 -7.509 -9.325 0.181 359 1HD1 LEU 50 1HD1 LEU 50 -6.714 -6.964 0.163 360 2HD1 LEU 50 2HD1 LEU 50 -8.216 -7.237 -0.720 361 3HD1 LEU 50 3HD1 LEU 50 -6.701 -7.039 -1.598 362 1HD2 LEU 50 1HD2 LEU 50 -6.754 -9.338 -2.732 363 2HD2 LEU 50 2HD2 LEU 50 -8.409 -9.282 -2.131 364 3HD2 LEU 50 3HD2 LEU 50 -7.394 -10.681 -1.783 365 H LYS 51 H LYS 51 -3.123 -7.373 -0.223 366 HA LYS 51 HA LYS 51 -4.191 -4.983 -1.376 367 1HB LYS 51 1HB LYS 51 -3.298 -5.158 0.975 368 2HB LYS 51 2HB LYS 51 -1.682 -5.255 0.287 369 1HG LYS 51 1HG LYS 51 -2.035 -3.051 -0.768 370 2HG LYS 51 2HG LYS 51 -3.601 -2.952 0.038 371 1HD LYS 51 1HD LYS 51 -2.462 -3.132 2.215 372 2HD LYS 51 2HD LYS 51 -0.907 -3.157 1.380 373 1HE LYS 51 1HE LYS 51 -2.925 -0.915 1.350 374 2HE LYS 51 2HE LYS 51 -1.385 -0.927 2.210 375 1HZ LYS 51 1HZ LYS 51 -0.236 -1.046 0.097 376 2HZ LYS 51 2HZ LYS 51 -1.255 0.303 0.127 377 3HZ LYS 51 3HZ LYS 51 -1.706 -1.077 -0.739 378 H ALA 52 H ALA 52 -1.563 -7.150 -2.037 379 HA ALA 52 HA ALA 52 0.063 -5.358 -3.553 380 1HB ALA 52 1HB ALA 52 1.242 -7.295 -4.288 381 2HB ALA 52 2HB ALA 52 -0.121 -8.346 -3.909 382 3HB ALA 52 3HB ALA 52 0.786 -7.578 -2.609 383 H CYS 53 H CYS 53 -2.858 -7.032 -4.133 384 HA CYS 53 HA CYS 53 -2.740 -7.095 -6.983 385 1HB CYS 53 1HB CYS 53 -4.194 -8.665 -5.984 386 2HB CYS 53 2HB CYS 53 -4.936 -7.449 -4.954 387 H VAL 54 H VAL 54 -4.017 -4.904 -4.558 388 HA VAL 54 HA VAL 54 -5.454 -3.190 -6.265 389 HB VAL 54 HB VAL 54 -4.079 -2.297 -3.741 390 1HG1 VAL 54 1HG1 VAL 54 -6.026 -0.845 -3.526 391 2HG1 VAL 54 2HG1 VAL 54 -6.698 -1.513 -5.013 392 3HG1 VAL 54 3HG1 VAL 54 -5.204 -0.578 -5.063 393 1HG2 VAL 54 1HG2 VAL 54 -6.673 -3.822 -3.954 394 2HG2 VAL 54 2HG2 VAL 54 -6.008 -3.112 -2.484 395 3HG2 VAL 54 3HG2 VAL 54 -5.164 -4.438 -3.283 396 H MET 55 H MET 55 -2.092 -3.598 -5.718 397 HA MET 55 HA MET 55 -1.158 -1.018 -6.360 398 1HB MET 55 1HB MET 55 0.281 -3.603 -6.953 399 2HB MET 55 2HB MET 55 0.992 -2.025 -6.652 400 1HG MET 55 1HG MET 55 -0.477 -3.725 -4.650 401 2HG MET 55 2HG MET 55 1.266 -3.478 -4.737 402 1HE MET 55 1HE MET 55 0.361 -1.537 -1.480 403 2HE MET 55 2HE MET 55 1.383 -2.775 -2.209 404 3HE MET 55 3HE MET 55 -0.352 -3.045 -2.048 405 H LYS 56 H LYS 56 -1.520 -3.925 -8.378 406 HA LYS 56 HA LYS 56 -0.723 -2.744 -10.795 407 1HB LYS 56 1HB LYS 56 -2.706 -4.999 -10.530 408 2HB LYS 56 2HB LYS 56 -1.618 -4.678 -11.872 409 1HG LYS 56 1HG LYS 56 -0.244 -6.151 -10.952 410 2HG LYS 56 2HG LYS 56 0.076 -4.941 -9.712 411 1HD LYS 56 1HD LYS 56 -0.497 -6.952 -8.583 412 2HD LYS 56 2HD LYS 56 -1.886 -5.878 -8.442 413 1HE LYS 56 1HE LYS 56 -1.713 -7.886 -10.657 414 2HE LYS 56 2HE LYS 56 -2.275 -8.358 -9.054 415 1HZ LYS 56 1HZ LYS 56 -3.483 -6.310 -10.832 416 2HZ LYS 56 2HZ LYS 56 -3.968 -6.583 -9.235 417 3HZ LYS 56 3HZ LYS 56 -4.152 -7.801 -10.393 418 H ARG 57 H ARG 57 -3.570 -2.332 -8.974 419 HA ARG 57 HA ARG 57 -5.358 -1.763 -11.125 420 1HB ARG 57 1HB ARG 57 -5.530 -0.938 -8.221 421 2HB ARG 57 2HB ARG 57 -6.842 -0.872 -9.388 422 1HG ARG 57 1HG ARG 57 -5.461 -3.452 -8.749 423 2HG ARG 57 2HG ARG 57 -6.769 -2.831 -7.742 424 1HD ARG 57 1HD ARG 57 -7.662 -4.381 -9.363 425 2HD ARG 57 2HD ARG 57 -8.224 -2.751 -9.732 426 HE ARG 57 HE ARG 57 -5.856 -3.456 -11.174 427 1HH1 ARG 57 1HH1 ARG 57 -9.328 -3.746 -11.123 428 2HH1 ARG 57 2HH1 ARG 57 -9.460 -3.982 -12.833 429 1HH2 ARG 57 1HH2 ARG 57 -6.024 -3.766 -13.427 430 2HH2 ARG 57 2HH2 ARG 57 -7.585 -3.991 -14.141 431 H ILE 58 H ILE 58 -3.143 0.134 -9.169 432 HA ILE 58 HA ILE 58 -3.966 2.555 -10.623 433 HB ILE 58 HB ILE 58 -2.780 3.833 -8.878 434 1HG1 ILE 58 1HG1 ILE 58 -2.468 1.141 -7.528 435 2HG1 ILE 58 2HG1 ILE 58 -1.161 2.091 -8.221 436 1HG2 ILE 58 1HG2 ILE 58 -5.191 3.354 -8.733 437 2HG2 ILE 58 2HG2 ILE 58 -4.442 3.520 -7.145 438 3HG2 ILE 58 3HG2 ILE 58 -4.831 1.919 -7.774 439 1HD1 ILE 58 1HD1 ILE 58 -1.511 3.831 -6.587 440 2HD1 ILE 58 2HD1 ILE 58 -1.292 2.278 -5.779 441 3HD1 ILE 58 3HD1 ILE 58 -2.904 2.970 -5.933 442 H GLU 59 H GLU 59 -2.352 0.553 -11.821 443 HA GLU 59 HA GLU 59 -0.384 0.175 -12.891 444 1HB GLU 59 1HB GLU 59 0.383 2.064 -14.251 445 2HB GLU 59 2HB GLU 59 -1.364 1.885 -14.288 446 1HG GLU 59 1HG GLU 59 -1.589 3.716 -12.699 447 2HG GLU 59 2HG GLU 59 0.163 3.885 -12.641 448 H MET 60 H MET 60 0.130 0.345 -10.143 449 HA MET 60 HA MET 60 2.735 1.722 -10.122 450 1HB MET 60 1HB MET 60 2.606 1.893 -7.748 451 2HB MET 60 2HB MET 60 1.070 2.454 -8.387 452 1HG MET 60 1HG MET 60 -0.053 0.525 -7.692 453 2HG MET 60 2HG MET 60 1.448 -0.360 -7.436 454 1HE MET 60 1HE MET 60 3.102 0.073 -5.400 455 2HE MET 60 2HE MET 60 2.880 1.377 -4.232 456 3HE MET 60 3HE MET 60 3.240 1.753 -5.917 457 H LEU 61 H LEU 61 1.607 -1.104 -10.875 458 HA LEU 61 HA LEU 61 4.001 -2.512 -10.145 459 1HB LEU 61 1HB LEU 61 2.559 -2.863 -8.158 460 2HB LEU 61 2HB LEU 61 1.332 -3.571 -9.194 461 HG LEU 61 HG LEU 61 2.959 -5.363 -9.805 462 1HD1 LEU 61 1HD1 LEU 61 5.025 -4.178 -9.347 463 2HD1 LEU 61 2HD1 LEU 61 4.940 -5.657 -8.390 464 3HD1 LEU 61 3HD1 LEU 61 4.621 -4.098 -7.631 465 1HD2 LEU 61 1HD2 LEU 61 2.330 -5.045 -6.873 466 2HD2 LEU 61 2HD2 LEU 61 2.791 -6.554 -7.661 467 3HD2 LEU 61 3HD2 LEU 61 1.281 -5.757 -8.099 468 H LYS 62 H LYS 62 4.449 -2.878 -12.247 469 HA LYS 62 HA LYS 62 2.398 -4.140 -13.929 470 1HB LYS 62 1HB LYS 62 5.009 -2.817 -14.689 471 2HB LYS 62 2HB LYS 62 3.848 -3.497 -15.822 472 1HG LYS 62 1HG LYS 62 3.195 -1.256 -13.926 473 2HG LYS 62 2HG LYS 62 3.785 -1.006 -15.569 474 1HD LYS 62 1HD LYS 62 1.564 -0.935 -16.023 475 2HD LYS 62 2HD LYS 62 1.764 -2.687 -16.086 476 1HE LYS 62 1HE LYS 62 1.011 -2.893 -13.798 477 2HE LYS 62 2HE LYS 62 0.922 -1.139 -13.639 478 1HZ LYS 62 1HZ LYS 62 -0.721 -2.791 -15.480 479 2HZ LYS 62 2HZ LYS 62 -0.808 -1.109 -15.323 480 3HZ LYS 62 3HZ LYS 62 -1.255 -2.102 -14.030 481 H GLY 63 H GLY 63 2.552 -6.297 -13.375 482 1HA GLY 63 1HA GLY 63 3.437 -8.415 -13.289 483 2HA GLY 63 2HA GLY 63 4.428 -7.889 -14.643 484 H THR 64 H THR 64 4.296 -7.187 -11.162 485 HA THR 64 HA THR 64 5.813 -7.406 -9.489 486 HB THR 64 HB THR 64 7.580 -8.920 -9.555 487 HG1 THR 64 1HG THR 64 8.686 -9.465 -11.454 488 1HG2 THR 64 1HG2 THR 64 6.766 -10.900 -10.645 489 2HG2 THR 64 2HG2 THR 64 5.798 -9.943 -11.766 490 3HG2 THR 64 3HG2 THR 64 5.377 -9.985 -10.053 491 H GLU 65 H GLU 65 5.786 -5.257 -11.594 492 HA GLU 65 HA GLU 65 8.498 -4.217 -11.125 493 1HB GLU 65 1HB GLU 65 6.535 -3.621 -13.325 494 2HB GLU 65 2HB GLU 65 8.030 -2.751 -13.083 495 1HG GLU 65 1HG GLU 65 7.791 -5.684 -13.688 496 2HG GLU 65 2HG GLU 65 8.255 -4.425 -14.831 497 H LEU 66 H LEU 66 8.367 -2.967 -9.367 498 HA LEU 66 HA LEU 66 6.043 -1.386 -8.765 499 1HB LEU 66 1HB LEU 66 8.732 -1.714 -7.472 500 2HB LEU 66 2HB LEU 66 7.631 -0.452 -6.951 501 HG LEU 66 HG LEU 66 5.939 -2.465 -6.742 502 1HD1 LEU 66 1HD1 LEU 66 7.027 -4.510 -6.013 503 2HD1 LEU 66 2HD1 LEU 66 8.604 -3.815 -6.381 504 3HD1 LEU 66 3HD1 LEU 66 7.454 -4.129 -7.681 505 1HD2 LEU 66 1HD2 LEU 66 8.128 -1.879 -4.758 506 2HD2 LEU 66 2HD2 LEU 66 6.610 -2.699 -4.394 507 3HD2 LEU 66 3HD2 LEU 66 6.598 -1.016 -4.919 508 H TYR 67 H TYR 67 5.775 0.795 -8.919 509 HA TYR 67 HA TYR 67 7.809 2.245 -10.480 510 1HB TYR 67 1HB TYR 67 4.809 2.375 -10.474 511 2HB TYR 67 2HB TYR 67 5.759 3.746 -11.032 512 HD1 TYR 67 1HD TYR 67 5.655 0.037 -11.541 513 HD2 TYR 67 2HD TYR 67 6.120 3.884 -13.297 514 HE1 TYR 67 1HE TYR 67 5.849 -1.005 -13.760 515 HE2 TYR 67 2HE TYR 67 6.315 2.854 -15.520 516 HH TYR 67 HH TYR 67 5.515 -0.379 -16.125 517 H VAL 68 H VAL 68 7.254 4.779 -10.191 518 HA VAL 68 HA VAL 68 7.084 5.306 -7.299 519 HB VAL 68 HB VAL 68 8.847 6.979 -7.481 520 1HG1 VAL 68 1HG1 VAL 68 9.491 4.725 -6.854 521 2HG1 VAL 68 2HG1 VAL 68 10.760 5.479 -7.817 522 3HG1 VAL 68 3HG1 VAL 68 9.687 4.288 -8.551 523 1HG2 VAL 68 1HG2 VAL 68 9.100 6.056 -10.342 524 2HG2 VAL 68 2HG2 VAL 68 10.211 7.152 -9.520 525 3HG2 VAL 68 3HG2 VAL 68 8.537 7.638 -9.799 526 H GLU 69 H GLU 69 6.468 6.357 -10.562 527 HA GLU 69 HA GLU 69 5.636 8.990 -10.004 528 1HB GLU 69 1HB GLU 69 4.920 7.142 -12.280 529 2HB GLU 69 2HB GLU 69 4.464 8.839 -12.214 530 1HG GLU 69 1HG GLU 69 7.293 7.813 -12.162 531 2HG GLU 69 2HG GLU 69 6.456 8.415 -13.593 532 HA PRO 70 HA PRO 70 1.084 7.178 -10.012 533 1HB PRO 70 1HB PRO 70 1.003 4.584 -9.024 534 2HB PRO 70 2HB PRO 70 0.817 5.039 -10.719 535 1HG PRO 70 1HG PRO 70 3.208 3.997 -9.285 536 2HG PRO 70 2HG PRO 70 2.669 3.696 -10.943 537 1HD PRO 70 1HD PRO 70 4.707 5.361 -10.375 538 2HD PRO 70 2HD PRO 70 3.609 5.642 -11.741 539 H VAL 71 H VAL 71 3.652 6.713 -7.805 540 HA VAL 71 HA VAL 71 1.909 6.618 -5.469 541 HB VAL 71 HB VAL 71 4.922 6.765 -5.496 542 1HG1 VAL 71 1HG1 VAL 71 4.711 5.718 -3.282 543 2HG1 VAL 71 2HG1 VAL 71 2.955 5.805 -3.424 544 3HG1 VAL 71 3HG1 VAL 71 3.908 7.285 -3.361 545 1HG2 VAL 71 1HG2 VAL 71 4.892 4.307 -5.256 546 2HG2 VAL 71 2HG2 VAL 71 4.272 4.848 -6.817 547 3HG2 VAL 71 3HG2 VAL 71 3.153 4.322 -5.558 548 H TYR 72 H TYR 72 4.380 8.760 -6.869 549 HA TYR 72 HA TYR 72 4.176 10.764 -4.904 550 1HB TYR 72 1HB TYR 72 4.917 11.107 -7.816 551 2HB TYR 72 2HB TYR 72 5.271 12.236 -6.518 552 HD1 TYR 72 1HD TYR 72 7.086 10.594 -8.566 553 HD2 TYR 72 2HD TYR 72 6.156 10.232 -4.429 554 HE1 TYR 72 1HE TYR 72 9.238 9.469 -8.187 555 HE2 TYR 72 2HE TYR 72 8.305 9.104 -4.039 556 HH TYR 72 HH TYR 72 9.969 7.817 -5.315 557 H LYS 73 H LYS 73 2.134 9.868 -7.508 558 HA LYS 73 HA LYS 73 0.786 12.409 -7.719 559 1HB LYS 73 1HB LYS 73 0.138 9.700 -8.881 560 2HB LYS 73 2HB LYS 73 -0.749 11.173 -9.240 561 1HG LYS 73 1HG LYS 73 2.198 10.898 -9.744 562 2HG LYS 73 2HG LYS 73 0.977 10.447 -10.934 563 1HD LYS 73 1HD LYS 73 1.291 12.593 -11.599 564 2HD LYS 73 2HD LYS 73 0.098 12.899 -10.337 565 1HE LYS 73 1HE LYS 73 2.008 14.432 -10.186 566 2HE LYS 73 2HE LYS 73 1.867 13.413 -8.755 567 1HZ LYS 73 1HZ LYS 73 4.158 13.594 -9.515 568 2HZ LYS 73 2HZ LYS 73 3.732 12.943 -11.017 569 3HZ LYS 73 3HZ LYS 73 3.610 11.996 -9.621 570 H MET 74 H MET 74 -0.045 9.184 -6.415 571 HA MET 74 HA MET 74 -2.626 10.016 -5.548 572 1HB MET 74 1HB MET 74 -2.775 7.869 -4.447 573 2HB MET 74 2HB MET 74 -2.095 7.660 -6.054 574 1HG MET 74 1HG MET 74 0.113 7.417 -5.138 575 2HG MET 74 2HG MET 74 -0.483 7.768 -3.516 576 1HE MET 74 1HE MET 74 1.281 5.255 -3.983 577 2HE MET 74 2HE MET 74 0.368 4.001 -3.145 578 3HE MET 74 3HE MET 74 0.514 5.609 -2.437 579 H ILE 75 H ILE 75 0.518 9.657 -3.974 580 HA ILE 75 HA ILE 75 -0.150 9.997 -1.334 581 HB ILE 75 HB ILE 75 2.241 10.875 -2.919 582 1HG1 ILE 75 1HG1 ILE 75 1.886 8.874 -0.677 583 2HG1 ILE 75 2HG1 ILE 75 1.900 8.479 -2.392 584 1HG2 ILE 75 1HG2 ILE 75 1.905 11.271 0.053 585 2HG2 ILE 75 2HG2 ILE 75 1.956 12.555 -1.157 586 3HG2 ILE 75 3HG2 ILE 75 3.377 11.550 -0.879 587 1HD1 ILE 75 1HD1 ILE 75 4.192 9.701 -0.872 588 2HD1 ILE 75 2HD1 ILE 75 4.198 9.218 -2.568 589 3HD1 ILE 75 3HD1 ILE 75 4.036 7.999 -1.303 590 H GLU 76 H GLU 76 -0.126 12.359 -3.892 591 HA GLU 76 HA GLU 76 -0.046 14.731 -2.447 592 1HB GLU 76 1HB GLU 76 -1.573 14.096 -4.976 593 2HB GLU 76 2HB GLU 76 -1.323 15.720 -4.352 594 1HG GLU 76 1HG GLU 76 1.084 15.453 -4.589 595 2HG GLU 76 2HG GLU 76 0.851 13.811 -5.183 596 H VAL 77 H VAL 77 -3.027 13.081 -3.559 597 HA VAL 77 HA VAL 77 -4.619 14.695 -1.743 598 HB VAL 77 HB VAL 77 -5.544 12.448 -3.535 599 1HG1 VAL 77 1HG1 VAL 77 -7.118 13.033 -1.771 600 2HG1 VAL 77 2HG1 VAL 77 -7.731 13.535 -3.347 601 3HG1 VAL 77 3HG1 VAL 77 -7.040 14.728 -2.249 602 1HG2 VAL 77 1HG2 VAL 77 -5.365 15.404 -4.105 603 2HG2 VAL 77 2HG2 VAL 77 -6.185 14.223 -5.125 604 3HG2 VAL 77 3HG2 VAL 77 -4.441 14.121 -4.887 605 H VAL 78 H VAL 78 -3.339 11.484 -1.959 606 HA VAL 78 HA VAL 78 -4.983 10.208 -0.061 607 HB VAL 78 HB VAL 78 -2.236 9.590 -1.152 608 1HG1 VAL 78 1HG1 VAL 78 -3.809 7.944 0.835 609 2HG1 VAL 78 2HG1 VAL 78 -2.248 8.716 1.119 610 3HG1 VAL 78 3HG1 VAL 78 -2.381 7.394 -0.042 611 1HG2 VAL 78 1HG2 VAL 78 -4.918 8.244 -1.453 612 2HG2 VAL 78 2HG2 VAL 78 -3.413 7.744 -2.226 613 3HG2 VAL 78 3HG2 VAL 78 -4.144 9.295 -2.639 614 H HIS 79 H HIS 79 -2.822 12.692 0.344 615 HA HIS 79 HA HIS 79 -2.682 12.229 3.226 616 1HB HIS 79 1HB HIS 79 -0.316 13.009 1.505 617 2HB HIS 79 2HB HIS 79 -0.334 13.064 3.264 618 HD1 HIS 79 1HD HIS 79 0.006 10.879 4.514 619 HD2 HIS 79 2HD HIS 79 -0.309 10.380 0.403 620 HE1 HIS 79 1HE HIS 79 0.669 8.496 4.076 621 HE2 HIS 79 2HE HIS 79 0.568 8.246 1.570 622 H ALA 80 H ALA 80 -4.368 13.880 1.592 623 HA ALA 80 HA ALA 80 -3.569 16.549 1.431 624 1HB ALA 80 1HB ALA 80 -5.944 17.088 1.328 625 2HB ALA 80 2HB ALA 80 -6.344 15.472 1.909 626 3HB ALA 80 3HB ALA 80 -5.573 15.678 0.337 627 H GLY 81 H GLY 81 -3.434 18.188 2.844 628 1HA GLY 81 1HA GLY 81 -4.522 19.138 4.928 629 2HA GLY 81 2HA GLY 81 -4.102 17.594 5.656 630 H ASN 82 H ASN 82 -1.605 17.099 4.914 631 HA ASN 82 HA ASN 82 -0.084 19.436 5.869 632 1HB ASN 82 1HB ASN 82 0.395 16.489 6.347 633 2HB ASN 82 2HB ASN 82 1.546 17.752 6.774 634 1HD2 ASN 82 1HD2 ASN 82 1.099 19.123 8.479 635 2HD2 ASN 82 2HD2 ASN 82 -0.140 18.787 9.635 636 H ALA 83 H ALA 83 0.971 20.317 4.219 637 HA ALA 83 HA ALA 83 1.582 19.053 1.795 638 1HB ALA 83 1HB ALA 83 2.962 21.006 1.314 639 2HB ALA 83 2HB ALA 83 2.888 21.487 3.009 640 3HB ALA 83 3HB ALA 83 1.422 21.480 2.029 641 H ASP 84 H ASP 84 3.365 19.257 4.801 642 HA ASP 84 HA ASP 84 5.814 18.296 3.630 643 1HB ASP 84 1HB ASP 84 5.084 18.420 6.560 644 2HB ASP 84 2HB ASP 84 6.697 18.236 5.866 645 H ASP 85 H ASP 85 2.923 16.867 4.822 646 HA ASP 85 HA ASP 85 3.957 14.378 5.659 647 1HB ASP 85 1HB ASP 85 1.575 15.195 5.998 648 2HB ASP 85 2HB ASP 85 1.284 14.801 4.305 649 H ILE 86 H ILE 86 3.148 15.767 2.578 650 HA ILE 86 HA ILE 86 3.517 13.392 1.040 651 HB ILE 86 HB ILE 86 3.425 16.311 0.245 652 1HG1 ILE 86 1HG1 ILE 86 1.315 14.184 -0.137 653 2HG1 ILE 86 2HG1 ILE 86 1.362 15.243 1.268 654 1HG2 ILE 86 1HG2 ILE 86 3.048 15.477 -2.048 655 2HG2 ILE 86 2HG2 ILE 86 3.378 13.839 -1.485 656 3HG2 ILE 86 3HG2 ILE 86 4.645 15.063 -1.429 657 1HD1 ILE 86 1HD1 ILE 86 1.114 17.184 -0.173 658 2HD1 ILE 86 2HD1 ILE 86 -0.205 16.039 -0.414 659 3HD1 ILE 86 3HD1 ILE 86 1.103 16.137 -1.592 660 H GLN 87 H GLN 87 5.479 16.057 2.156 661 HA GLN 87 HA GLN 87 7.707 15.526 0.454 662 1HB GLN 87 1HB GLN 87 8.025 17.654 1.073 663 2HB GLN 87 2HB GLN 87 6.945 17.488 2.447 664 1HG GLN 87 1HG GLN 87 9.036 18.127 3.306 665 2HG GLN 87 2HG GLN 87 8.848 16.415 3.677 666 1HE2 GLN 87 1HE2 GLN 87 9.615 17.579 0.483 667 2HE2 GLN 87 2HE2 GLN 87 11.241 16.991 0.442 668 H LEU 88 H LEU 88 6.661 14.491 3.604 669 HA LEU 88 HA LEU 88 9.214 13.335 4.298 670 1HB LEU 88 1HB LEU 88 7.561 14.349 5.939 671 2HB LEU 88 2HB LEU 88 6.573 12.923 5.690 672 HG LEU 88 HG LEU 88 9.422 12.630 6.577 673 1HD1 LEU 88 1HD1 LEU 88 8.441 14.236 8.119 674 2HD1 LEU 88 2HD1 LEU 88 8.659 12.671 8.904 675 3HD1 LEU 88 3HD1 LEU 88 7.056 13.172 8.366 676 1HD2 LEU 88 1HD2 LEU 88 8.489 10.608 7.648 677 2HD2 LEU 88 2HD2 LEU 88 8.270 10.619 5.898 678 3HD2 LEU 88 3HD2 LEU 88 6.914 11.000 6.958 679 H VAL 89 H VAL 89 5.975 12.182 3.448 680 HA VAL 89 HA VAL 89 6.548 9.426 3.585 681 HB VAL 89 HB VAL 89 4.254 10.481 3.550 682 1HG1 VAL 89 1HG1 VAL 89 4.673 11.941 1.607 683 2HG1 VAL 89 2HG1 VAL 89 3.217 10.963 1.444 684 3HG1 VAL 89 3HG1 VAL 89 4.683 10.512 0.575 685 1HG2 VAL 89 1HG2 VAL 89 4.626 8.059 3.321 686 2HG2 VAL 89 2HG2 VAL 89 4.706 8.255 1.572 687 3HG2 VAL 89 3HG2 VAL 89 3.208 8.611 2.432 688 H LYS 90 H LYS 90 6.931 11.796 1.023 689 HA LYS 90 HA LYS 90 7.171 10.169 -1.200 690 1HB LYS 90 1HB LYS 90 7.714 12.860 -0.568 691 2HB LYS 90 2HB LYS 90 9.184 12.227 -1.286 692 1HG LYS 90 1HG LYS 90 8.198 12.802 -3.213 693 2HG LYS 90 2HG LYS 90 7.344 11.278 -3.016 694 1HD LYS 90 1HD LYS 90 5.482 12.434 -1.949 695 2HD LYS 90 2HD LYS 90 6.350 13.960 -2.112 696 1HE LYS 90 1HE LYS 90 5.510 12.195 -4.400 697 2HE LYS 90 2HE LYS 90 4.648 13.632 -3.863 698 1HZ LYS 90 1HZ LYS 90 6.071 14.118 -5.747 699 2HZ LYS 90 2HZ LYS 90 7.429 13.571 -4.900 700 3HZ LYS 90 3HZ LYS 90 6.610 14.954 -4.377 701 H GLY 91 H GLY 91 9.485 10.797 1.361 702 1HA GLY 91 1HA GLY 91 11.622 9.392 0.009 703 2HA GLY 91 2HA GLY 91 11.673 10.055 1.636 704 H ILE 92 H ILE 92 9.190 8.672 2.420 705 HA ILE 92 HA ILE 92 10.342 6.302 3.440 706 HB ILE 92 HB ILE 92 7.395 6.925 3.251 707 1HG1 ILE 92 1HG1 ILE 92 8.487 8.807 4.305 708 2HG1 ILE 92 2HG1 ILE 92 7.657 7.868 5.541 709 1HG2 ILE 92 1HG2 ILE 92 8.955 5.170 5.139 710 2HG2 ILE 92 2HG2 ILE 92 7.885 4.624 3.847 711 3HG2 ILE 92 3HG2 ILE 92 7.224 5.493 5.233 712 1HD1 ILE 92 1HD1 ILE 92 10.609 7.856 4.963 713 2HD1 ILE 92 2HD1 ILE 92 9.805 6.825 6.145 714 3HD1 ILE 92 3HD1 ILE 92 9.803 8.575 6.354 715 H ALA 93 H ALA 93 8.278 6.978 0.677 716 HA ALA 93 HA ALA 93 7.536 4.345 0.054 717 1HB ALA 93 1HB ALA 93 7.026 5.195 -2.171 718 2HB ALA 93 2HB ALA 93 7.934 6.669 -1.828 719 3HB ALA 93 3HB ALA 93 6.460 6.312 -0.928 720 H ASN 94 H ASN 94 10.438 6.182 -0.638 721 HA ASN 94 HA ASN 94 11.503 4.418 -2.585 722 1HB ASN 94 1HB ASN 94 12.214 6.814 -2.173 723 2HB ASN 94 2HB ASN 94 13.092 6.227 -0.763 724 1HD2 ASN 94 1HD2 ASN 94 15.061 6.879 -1.634 725 2HD2 ASN 94 2HD2 ASN 94 15.818 6.022 -2.928 726 H GLU 95 H GLU 95 11.311 4.287 0.850 727 HA GLU 95 HA GLU 95 13.539 2.568 1.301 728 1HB GLU 95 1HB GLU 95 12.443 3.966 3.065 729 2HB GLU 95 2HB GLU 95 11.058 2.883 3.011 730 1HG GLU 95 1HG GLU 95 12.493 2.344 4.877 731 2HG GLU 95 2HG GLU 95 12.479 1.026 3.707 732 H CYS 96 H CYS 96 10.181 2.089 0.480 733 HA CYS 96 HA CYS 96 10.312 -0.781 0.881 734 1HB CYS 96 1HB CYS 96 8.135 1.090 -0.028 735 2HB CYS 96 2HB CYS 96 7.949 -0.660 -0.020 736 H ILE 97 H ILE 97 9.684 1.383 -1.886 737 HA ILE 97 HA ILE 97 9.447 -0.466 -3.898 738 HB ILE 97 HB ILE 97 10.840 2.203 -4.130 739 1HG1 ILE 97 1HG1 ILE 97 7.929 1.550 -4.609 740 2HG1 ILE 97 2HG1 ILE 97 8.533 2.215 -3.096 741 1HG2 ILE 97 1HG2 ILE 97 11.212 0.798 -6.079 742 2HG2 ILE 97 2HG2 ILE 97 10.111 2.117 -6.476 743 3HG2 ILE 97 3HG2 ILE 97 9.480 0.492 -6.211 744 1HD1 ILE 97 1HD1 ILE 97 7.620 3.980 -4.426 745 2HD1 ILE 97 2HD1 ILE 97 8.617 3.515 -5.804 746 3HD1 ILE 97 3HD1 ILE 97 9.371 4.175 -4.353 747 H GLU 98 H GLU 98 12.384 0.517 -2.277 748 HA GLU 98 HA GLU 98 14.124 -0.564 -4.287 749 1HB GLU 98 1HB GLU 98 14.612 0.411 -1.478 750 2HB GLU 98 2HB GLU 98 15.890 -0.241 -2.496 751 1HG GLU 98 1HG GLU 98 14.197 2.174 -3.096 752 2HG GLU 98 2HG GLU 98 15.878 2.180 -2.566 753 H ASN 99 H ASN 99 12.736 -1.747 -1.267 754 HA ASN 99 HA ASN 99 14.306 -4.195 -1.487 755 1HB ASN 99 1HB ASN 99 13.811 -4.628 0.712 756 2HB ASN 99 2HB ASN 99 13.750 -2.872 0.714 757 1HD2 ASN 99 1HD2 ASN 99 11.787 -1.840 0.941 758 2HD2 ASN 99 2HD2 ASN 99 10.354 -2.667 1.440 759 H ALA 100 H ALA 100 11.461 -3.056 -2.736 760 HA ALA 100 HA ALA 100 10.128 -5.667 -2.631 761 1HB ALA 100 1HB ALA 100 8.750 -3.752 -2.048 762 2HB ALA 100 2HB ALA 100 8.171 -4.496 -3.537 763 3HB ALA 100 3HB ALA 100 9.105 -3.000 -3.602 764 H LYS 101 H LYS 101 11.594 -3.370 -4.803 765 HA LYS 101 HA LYS 101 11.711 -3.340 -7.128 766 1HB LYS 101 1HB LYS 101 13.217 -5.637 -7.516 767 2HB LYS 101 2HB LYS 101 13.819 -4.039 -7.107 768 1HG LYS 101 1HG LYS 101 14.811 -5.377 -5.513 769 2HG LYS 101 2HG LYS 101 13.396 -4.767 -4.660 770 1HD LYS 101 1HD LYS 101 12.201 -6.858 -5.336 771 2HD LYS 101 2HD LYS 101 13.749 -7.468 -5.927 772 1HE LYS 101 1HE LYS 101 13.428 -6.440 -3.128 773 2HE LYS 101 2HE LYS 101 13.034 -8.100 -3.549 774 1HZ LYS 101 1HZ LYS 101 15.294 -7.909 -2.722 775 2HZ LYS 101 2HZ LYS 101 15.673 -6.802 -3.943 776 3HZ LYS 101 3HZ LYS 101 15.297 -8.403 -4.340 777 H GLY 102 H GLY 102 11.766 -6.872 -6.903 778 1HA GLY 102 1HA GLY 102 9.157 -7.195 -8.027 779 2HA GLY 102 2HA GLY 102 10.415 -7.367 -9.240 780 H GLU 103 H GLU 103 9.299 -8.617 -6.123 781 HA GLU 103 HA GLU 103 10.986 -10.888 -6.095 782 1HB GLU 103 1HB GLU 103 8.364 -10.338 -4.704 783 2HB GLU 103 2HB GLU 103 9.349 -11.762 -4.400 784 1HG GLU 103 1HG GLU 103 10.258 -8.920 -4.001 785 2HG GLU 103 2HG GLU 103 9.663 -9.985 -2.727 786 H THR 104 H THR 104 10.054 -13.165 -6.072 787 HA THR 104 HA THR 104 8.698 -13.576 -8.606 788 HB THR 104 HB THR 104 9.200 -15.979 -8.237 789 HG1 THR 104 1HG THR 104 9.295 -15.463 -5.779 790 1HG2 THR 104 1HG2 THR 104 11.552 -14.116 -7.891 791 2HG2 THR 104 2HG2 THR 104 10.806 -14.576 -9.421 792 3HG2 THR 104 3HG2 THR 104 11.641 -15.786 -8.448 793 H ASP 105 H ASP 105 8.189 -14.346 -5.178 794 HA ASP 105 HA ASP 105 5.655 -15.609 -5.698 795 1HB ASP 105 1HB ASP 105 7.004 -16.390 -3.832 796 2HB ASP 105 2HB ASP 105 6.966 -14.790 -3.100 797 H GLU 106 H GLU 106 3.688 -14.720 -5.675 798 HA GLU 106 HA GLU 106 3.238 -12.037 -6.014 799 1HB GLU 106 1HB GLU 106 1.622 -13.835 -6.537 800 2HB GLU 106 2HB GLU 106 1.298 -14.021 -4.820 801 1HG GLU 106 1HG GLU 106 0.426 -11.756 -4.720 802 2HG GLU 106 2HG GLU 106 0.792 -11.527 -6.430 803 H CYS 107 H CYS 107 2.348 -13.777 -3.023 804 HA CYS 107 HA CYS 107 1.768 -11.530 -1.505 805 1HB CYS 107 1HB CYS 107 2.783 -14.218 -0.575 806 2HB CYS 107 2HB CYS 107 2.022 -13.008 0.455 807 H ASN 108 H ASN 108 4.847 -12.787 -2.414 808 HA ASN 108 HA ASN 108 6.281 -11.498 -0.264 809 1HB ASN 108 1HB ASN 108 7.176 -12.918 -2.769 810 2HB ASN 108 2HB ASN 108 8.304 -12.146 -1.660 811 1HD2 ASN 108 1HD2 ASN 108 9.291 -14.083 -1.143 812 2HD2 ASN 108 2HD2 ASN 108 8.530 -15.276 -0.152 813 H ILE 109 H ILE 109 5.375 -10.770 -3.556 814 HA ILE 109 HA ILE 109 7.158 -8.611 -3.972 815 HB ILE 109 HB ILE 109 4.460 -9.143 -5.221 816 1HG1 ILE 109 1HG1 ILE 109 7.210 -9.614 -6.375 817 2HG1 ILE 109 2HG1 ILE 109 6.289 -10.859 -5.541 818 1HG2 ILE 109 1HG2 ILE 109 6.638 -7.236 -6.065 819 2HG2 ILE 109 2HG2 ILE 109 5.059 -6.793 -5.414 820 3HG2 ILE 109 3HG2 ILE 109 5.174 -7.593 -6.982 821 1HD1 ILE 109 1HD1 ILE 109 5.430 -9.414 -8.034 822 2HD1 ILE 109 2HD1 ILE 109 4.526 -10.681 -7.206 823 3HD1 ILE 109 3HD1 ILE 109 6.079 -11.051 -7.955 824 H GLY 110 H GLY 110 3.883 -8.829 -2.660 825 1HA GLY 110 1HA GLY 110 3.671 -5.961 -2.352 826 2HA GLY 110 2HA GLY 110 2.497 -7.160 -1.833 827 H ASN 111 H ASN 111 4.310 -8.752 -0.284 828 HA ASN 111 HA ASN 111 4.067 -7.492 2.187 829 1HB ASN 111 1HB ASN 111 4.334 -9.923 1.950 830 2HB ASN 111 2HB ASN 111 6.005 -9.693 1.443 831 1HD2 ASN 111 1HD2 ASN 111 4.365 -7.846 3.901 832 2HD2 ASN 111 2HD2 ASN 111 5.291 -8.435 5.228 833 H LYS 112 H LYS 112 6.930 -7.829 0.107 834 HA LYS 112 HA LYS 112 8.791 -6.558 1.718 835 1HB LYS 112 1HB LYS 112 8.510 -6.630 -1.285 836 2HB LYS 112 2HB LYS 112 9.892 -5.901 -0.481 837 1HG LYS 112 1HG LYS 112 9.051 -8.763 -0.094 838 2HG LYS 112 2HG LYS 112 10.248 -8.236 -1.276 839 1HD LYS 112 1HD LYS 112 11.610 -7.295 0.534 840 2HD LYS 112 2HD LYS 112 10.414 -7.842 1.712 841 1HE LYS 112 1HE LYS 112 10.822 -10.151 1.099 842 2HE LYS 112 2HE LYS 112 11.945 -9.643 -0.162 843 1HZ LYS 112 1HZ LYS 112 13.103 -10.369 1.831 844 2HZ LYS 112 2HZ LYS 112 12.309 -9.192 2.751 845 3HZ LYS 112 3HZ LYS 112 13.392 -8.728 1.535 846 H TYR 113 H TYR 113 6.159 -5.225 -0.108 847 HA TYR 113 HA TYR 113 7.150 -2.505 0.065 848 1HB TYR 113 1HB TYR 113 5.795 -3.491 -1.867 849 2HB TYR 113 2HB TYR 113 4.395 -3.359 -0.809 850 HD1 TYR 113 1HD TYR 113 3.113 -1.440 -0.971 851 HD2 TYR 113 2HD TYR 113 7.223 -1.259 -2.043 852 HE1 TYR 113 1HE TYR 113 2.821 0.899 -1.674 853 HE2 TYR 113 2HE TYR 113 6.948 1.075 -2.742 854 HH TYR 113 HH TYR 113 4.207 2.917 -1.978 855 H THR 114 H THR 114 4.064 -3.994 1.068 856 HA THR 114 HA THR 114 3.204 -1.961 2.721 857 HB THR 114 HB THR 114 1.743 -3.780 2.027 858 HG1 THR 114 1HG THR 114 1.678 -2.602 4.282 859 1HG2 THR 114 1HG2 THR 114 3.233 -5.501 4.013 860 2HG2 THR 114 2HG2 THR 114 3.403 -5.611 2.261 861 3HG2 THR 114 3HG2 THR 114 1.856 -5.980 3.021 862 H ASP 115 H ASP 115 5.100 -4.821 3.623 863 HA ASP 115 HA ASP 115 5.273 -4.758 6.286 864 1HB ASP 115 1HB ASP 115 6.564 -6.287 4.850 865 2HB ASP 115 2HB ASP 115 7.673 -4.970 4.457 866 H CYS 116 H CYS 116 7.459 -2.784 4.273 867 HA CYS 116 HA CYS 116 8.493 -1.392 6.563 868 1HB CYS 116 1HB CYS 116 9.520 0.036 4.612 869 2HB CYS 116 2HB CYS 116 10.100 -1.599 4.924 870 H TYR 117 H TYR 117 6.120 -0.677 4.055 871 HA TYR 117 HA TYR 117 5.933 2.077 4.424 872 1HB TYR 117 1HB TYR 117 4.704 0.324 2.782 873 2HB TYR 117 2HB TYR 117 3.392 0.647 3.913 874 HD1 TYR 117 1HD TYR 117 1.954 2.368 3.360 875 HD2 TYR 117 2HD TYR 117 5.987 2.568 2.022 876 HE1 TYR 117 1HE TYR 117 1.455 4.468 2.189 877 HE2 TYR 117 2HE TYR 117 5.499 4.671 0.844 878 HH TYR 117 HH TYR 117 3.572 5.856 -0.084 879 H ILE 118 H ILE 118 4.618 -0.562 6.306 880 HA ILE 118 HA ILE 118 2.971 1.177 7.934 881 HB ILE 118 HB ILE 118 3.686 -1.718 8.411 882 1HG1 ILE 118 1HG1 ILE 118 1.243 -0.557 7.054 883 2HG1 ILE 118 2HG1 ILE 118 2.575 -1.348 6.218 884 1HG2 ILE 118 1HG2 ILE 118 2.860 -0.587 10.397 885 2HG2 ILE 118 2HG2 ILE 118 1.659 -1.730 9.797 886 3HG2 ILE 118 3HG2 ILE 118 1.458 -0.002 9.501 887 1HD1 ILE 118 1HD1 ILE 118 0.721 -2.865 6.456 888 2HD1 ILE 118 2HD1 ILE 118 0.703 -2.616 8.202 889 3HD1 ILE 118 3HD1 ILE 118 2.075 -3.421 7.440 890 H GLU 119 H GLU 119 6.203 0.034 7.896 891 HA GLU 119 HA GLU 119 6.741 0.159 10.680 892 1HB GLU 119 1HB GLU 119 8.146 -1.087 9.073 893 2HB GLU 119 2HB GLU 119 8.659 0.436 8.360 894 1HG GLU 119 1HG GLU 119 9.725 1.088 10.427 895 2HG GLU 119 2HG GLU 119 9.141 -0.376 11.219 896 H LYS 120 H LYS 120 7.657 2.406 8.044 897 HA LYS 120 HA LYS 120 8.329 4.444 9.987 898 1HB LYS 120 1HB LYS 120 8.358 4.500 6.974 899 2HB LYS 120 2HB LYS 120 8.993 5.765 8.017 900 1HG LYS 120 1HG LYS 120 10.567 4.078 8.974 901 2HG LYS 120 2HG LYS 120 10.011 2.949 7.736 902 1HD LYS 120 1HD LYS 120 10.741 4.495 5.992 903 2HD LYS 120 2HD LYS 120 11.274 5.641 7.224 904 1HE LYS 120 1HE LYS 120 12.361 2.862 6.779 905 2HE LYS 120 2HE LYS 120 13.159 4.373 6.346 906 1HZ LYS 120 1HZ LYS 120 14.019 3.497 8.419 907 2HZ LYS 120 2HZ LYS 120 12.471 3.499 9.101 908 3HZ LYS 120 3HZ LYS 120 13.218 4.963 8.695 909 H LEU 121 H LEU 121 6.014 4.183 7.274 910 HA LEU 121 HA LEU 121 4.715 6.635 8.171 911 1HB LEU 121 1HB LEU 121 5.230 5.622 5.689 912 2HB LEU 121 2HB LEU 121 3.548 5.185 5.905 913 HG LEU 121 HG LEU 121 3.752 7.298 4.728 914 1HD1 LEU 121 1HD1 LEU 121 2.694 7.692 7.515 915 2HD1 LEU 121 2HD1 LEU 121 1.817 6.963 6.171 916 3HD1 LEU 121 3HD1 LEU 121 2.289 8.661 6.098 917 1HD2 LEU 121 1HD2 LEU 121 5.878 8.060 5.582 918 2HD2 LEU 121 2HD2 LEU 121 5.193 8.256 7.193 919 3HD2 LEU 121 3HD2 LEU 121 4.648 9.288 5.870 920 H PHE 122 H PHE 122 4.323 3.302 8.692 921 HA PHE 122 HA PHE 122 2.697 2.117 9.767 922 1HB PHE 122 1HB PHE 122 2.006 3.412 11.465 923 2HB PHE 122 2HB PHE 122 2.138 4.873 10.497 924 HD1 PHE 122 1HD PHE 122 -0.084 2.102 11.452 925 HD2 PHE 122 2HD PHE 122 0.228 5.887 9.532 926 HE1 PHE 122 1HE PHE 122 -2.533 2.266 11.387 927 HE2 PHE 122 2HE PHE 122 -2.226 6.062 9.470 928 HZ PHE 122 HZ PHE 122 -3.612 4.251 10.400 929 H SER 123 H SER 123 2.096 4.034 7.034 930 HA SER 123 HA SER 123 -0.582 3.195 6.501 931 1HB SER 123 1HB SER 123 1.527 4.326 4.646 932 2HB SER 123 2HB SER 123 -0.178 4.124 4.241 933 HG SER 123 HG SER 123 -0.384 6.041 5.067 934 1H4 TSD 124 1H4 TSP 124 -2.807 -1.528 4.753 935 2H4 TSD 124 2H4 TSP 124 -1.575 -0.867 5.803 936 3H4 TSD 124 3H4 TSP 124 -1.688 -0.332 4.142 937 1H5 TSD 124 1H5 TSP 124 -3.041 3.063 5.455 938 2H5 TSD 124 2H5 TSP 124 -3.493 2.455 3.879 939 3H5 TSD 124 3H5 TSP 124 -1.862 2.226 4.471 940 1H6 TSD 124 1H6 TSP 124 -2.754 0.111 7.754 941 2H6 TSD 124 2H6 TSP 124 -4.414 0.658 7.686 942 3H6 TSD 124 3H6 TSP 124 -3.107 1.817 7.609 943 1D3 TSD 124 1D3 TSP 124 -5.351 -0.682 5.377 944 2D3 TSD 124 2D3 TSP 124 -5.751 1.020 5.294 945 1D2 TSD 124 1D2 TSP 124 -4.598 -0.628 3.019 946 2D2 TSD 124 2D2 TSP 124 -5.002 1.086 2.936 Start of MODEL 10 1 HA ILE 1 HA ILE 1 1.058 13.568 11.138 2 HB ILE 1 HB ILE 1 0.492 12.989 8.813 3 1HG1 ILE 1 1HG1 ILE 1 1.983 10.411 9.352 4 2HG1 ILE 1 2HG1 ILE 1 0.233 10.539 9.208 5 1HG2 ILE 1 1HG2 ILE 1 3.374 12.486 9.540 6 2HG2 ILE 1 2HG2 ILE 1 2.621 14.062 9.304 7 3HG2 ILE 1 3HG2 ILE 1 2.784 12.951 7.945 8 1HD1 ILE 1 1HD1 ILE 1 0.497 11.324 6.901 9 2HD1 ILE 1 2HD1 ILE 1 1.197 9.724 7.154 10 3HD1 ILE 1 3HD1 ILE 1 2.244 11.138 7.055 11 H ASP 2 H ASP 2 -1.160 13.334 9.745 12 HA ASP 2 HA ASP 2 -3.048 12.306 11.614 13 1HB ASP 2 1HB ASP 2 -3.407 13.401 8.817 14 2HB ASP 2 2HB ASP 2 -4.731 13.026 9.917 15 H GLN 3 H GLN 3 -3.885 10.346 11.752 16 HA GLN 3 HA GLN 3 -3.164 8.269 9.941 17 1HB GLN 3 1HB GLN 3 -4.780 6.911 11.328 18 2HB GLN 3 2HB GLN 3 -3.469 7.669 12.224 19 1HG GLN 3 1HG GLN 3 -4.956 9.416 12.985 20 2HG GLN 3 2HG GLN 3 -6.269 8.754 12.013 21 1HE2 GLN 3 1HE2 GLN 3 -7.276 6.854 12.662 22 2HE2 GLN 3 2HE2 GLN 3 -7.114 6.229 14.265 23 H ASP 4 H ASP 4 -6.055 10.172 10.506 24 HA ASP 4 HA ASP 4 -7.883 8.801 8.941 25 1HB ASP 4 1HB ASP 4 -9.061 10.994 8.725 26 2HB ASP 4 2HB ASP 4 -8.602 10.597 10.378 27 H THR 5 H THR 5 -5.685 11.425 7.960 28 HA THR 5 HA THR 5 -6.467 11.675 5.304 29 HB THR 5 HB THR 5 -4.205 12.539 4.848 30 HG1 THR 5 1HG THR 5 -2.671 11.687 6.031 31 1HG2 THR 5 1HG2 THR 5 -4.248 14.385 6.474 32 2HG2 THR 5 2HG2 THR 5 -5.387 13.475 7.466 33 3HG2 THR 5 3HG2 THR 5 -5.860 14.019 5.856 34 H VAL 6 H VAL 6 -4.684 9.156 6.843 35 HA VAL 6 HA VAL 6 -3.647 8.098 4.352 36 HB VAL 6 HB VAL 6 -3.564 6.922 7.133 37 1HG1 VAL 6 1HG1 VAL 6 -1.793 5.485 6.246 38 2HG1 VAL 6 2HG1 VAL 6 -2.053 6.161 4.638 39 3HG1 VAL 6 3HG1 VAL 6 -3.324 5.218 5.414 40 1HG2 VAL 6 1HG2 VAL 6 -1.476 8.462 5.597 41 2HG2 VAL 6 2HG2 VAL 6 -1.250 7.710 7.176 42 3HG2 VAL 6 3HG2 VAL 6 -2.381 9.050 6.990 43 H VAL 7 H VAL 7 -5.663 6.695 6.942 44 HA VAL 7 HA VAL 7 -6.551 4.501 5.454 45 HB VAL 7 HB VAL 7 -7.941 5.854 7.766 46 1HG1 VAL 7 1HG1 VAL 7 -9.444 4.361 6.595 47 2HG1 VAL 7 2HG1 VAL 7 -8.967 3.640 8.133 48 3HG1 VAL 7 3HG1 VAL 7 -8.239 3.076 6.629 49 1HG2 VAL 7 1HG2 VAL 7 -5.950 3.590 7.723 50 2HG2 VAL 7 2HG2 VAL 7 -6.803 4.181 9.150 51 3HG2 VAL 7 3HG2 VAL 7 -5.652 5.224 8.311 52 H ALA 8 H ALA 8 -8.468 7.379 6.339 53 HA ALA 8 HA ALA 8 -10.719 6.818 4.852 54 1HB ALA 8 1HB ALA 8 -11.266 9.173 5.015 55 2HB ALA 8 2HB ALA 8 -9.593 9.553 5.424 56 3HB ALA 8 3HB ALA 8 -10.577 8.595 6.531 57 H LYS 9 H LYS 9 -7.663 8.088 3.680 58 HA LYS 9 HA LYS 9 -8.863 8.864 1.150 59 1HB LYS 9 1HB LYS 9 -6.041 8.985 2.184 60 2HB LYS 9 2HB LYS 9 -6.466 9.406 0.532 61 1HG LYS 9 1HG LYS 9 -7.755 10.721 2.903 62 2HG LYS 9 2HG LYS 9 -6.257 11.313 2.186 63 1HD LYS 9 1HD LYS 9 -7.699 12.565 0.963 64 2HD LYS 9 2HD LYS 9 -7.747 11.108 -0.031 65 1HE LYS 9 1HE LYS 9 -9.760 10.368 1.122 66 2HE LYS 9 2HE LYS 9 -9.696 11.783 2.173 67 1HZ LYS 9 1HZ LYS 9 -10.022 13.194 0.248 68 2HZ LYS 9 2HZ LYS 9 -11.280 12.071 0.366 69 3HZ LYS 9 3HZ LYS 9 -10.051 11.847 -0.776 70 H TYR 10 H TYR 10 -6.206 6.660 2.082 71 HA TYR 10 HA TYR 10 -5.889 5.393 -0.349 72 1HB TYR 10 1HB TYR 10 -5.449 4.506 2.478 73 2HB TYR 10 2HB TYR 10 -5.255 3.348 1.169 74 HD1 TYR 10 1HD TYR 10 -3.755 4.288 -0.850 75 HD2 TYR 10 2HD TYR 10 -3.569 5.630 3.182 76 HE1 TYR 10 1HE TYR 10 -1.472 5.115 -1.237 77 HE2 TYR 10 2HE TYR 10 -1.285 6.460 2.805 78 HH TYR 10 HH TYR 10 0.593 6.056 1.289 79 H MET 11 H MET 11 -8.393 4.980 2.027 80 HA MET 11 HA MET 11 -9.398 2.516 0.957 81 1HB MET 11 1HB MET 11 -10.405 4.502 2.975 82 2HB MET 11 2HB MET 11 -11.429 3.189 2.421 83 1HG MET 11 1HG MET 11 -8.738 2.886 3.735 84 2HG MET 11 2HG MET 11 -10.301 2.650 4.514 85 1HE MET 11 1HE MET 11 -11.686 -0.498 2.658 86 2HE MET 11 2HE MET 11 -11.998 1.202 2.305 87 3HE MET 11 3HE MET 11 -11.946 0.643 3.977 88 H GLU 12 H GLU 12 -10.827 5.780 1.109 89 HA GLU 12 HA GLU 12 -12.908 5.297 -0.688 90 1HB GLU 12 1HB GLU 12 -12.804 7.223 0.849 91 2HB GLU 12 2HB GLU 12 -11.508 7.913 -0.116 92 1HG GLU 12 1HG GLU 12 -13.018 8.102 -2.022 93 2HG GLU 12 2HG GLU 12 -14.319 7.398 -1.060 94 H TYR 13 H TYR 13 -9.564 5.895 -1.262 95 HA TYR 13 HA TYR 13 -9.696 6.975 -3.858 96 1HB TYR 13 1HB TYR 13 -7.684 6.751 -2.212 97 2HB TYR 13 2HB TYR 13 -7.452 5.185 -2.977 98 HD1 TYR 13 1HD TYR 13 -6.262 8.377 -2.990 99 HD2 TYR 13 2HD TYR 13 -7.719 5.469 -5.734 100 HE1 TYR 13 1HE TYR 13 -4.996 9.459 -4.799 101 HE2 TYR 13 2HE TYR 13 -6.461 6.545 -7.549 102 HH TYR 13 HH TYR 13 -5.513 8.749 -8.076 103 H LEU 14 H LEU 14 -9.333 3.598 -2.757 104 HA LEU 14 HA LEU 14 -10.331 2.739 -5.379 105 1HB LEU 14 1HB LEU 14 -7.894 1.634 -3.987 106 2HB LEU 14 2HB LEU 14 -8.637 0.925 -5.405 107 HG LEU 14 HG LEU 14 -7.491 3.711 -5.334 108 1HD1 LEU 14 1HD1 LEU 14 -5.588 2.793 -6.544 109 2HD1 LEU 14 2HD1 LEU 14 -6.253 1.169 -6.378 110 3HD1 LEU 14 3HD1 LEU 14 -5.736 2.061 -4.948 111 1HD2 LEU 14 1HD2 LEU 14 -7.599 3.520 -7.775 112 2HD2 LEU 14 2HD2 LEU 14 -9.194 3.377 -7.037 113 3HD2 LEU 14 3HD2 LEU 14 -8.357 1.936 -7.614 114 H MET 15 H MET 15 -11.727 2.863 -2.873 115 HA MET 15 HA MET 15 -11.799 0.497 -1.440 116 1HB MET 15 1HB MET 15 -13.010 2.676 -0.949 117 2HB MET 15 2HB MET 15 -14.248 2.133 -2.073 118 1HG MET 15 1HG MET 15 -14.673 0.182 -0.705 119 2HG MET 15 2HG MET 15 -13.381 0.659 0.395 120 1HE MET 15 1HE MET 15 -13.485 2.712 2.017 121 2HE MET 15 2HE MET 15 -14.802 3.884 2.048 122 3HE MET 15 3HE MET 15 -13.741 3.786 0.642 123 HA PRO 16 HA PRO 16 -15.160 -1.216 -4.471 124 1HB PRO 16 1HB PRO 16 -15.376 -0.106 -6.918 125 2HB PRO 16 2HB PRO 16 -16.271 0.508 -5.523 126 1HG PRO 16 1HG PRO 16 -13.704 1.507 -6.710 127 2HG PRO 16 2HG PRO 16 -15.136 2.433 -6.218 128 1HD PRO 16 1HD PRO 16 -12.954 2.241 -4.653 129 2HD PRO 16 2HD PRO 16 -14.592 2.316 -3.973 130 H ASP 17 H ASP 17 -11.962 -0.360 -5.223 131 HA ASP 17 HA ASP 17 -11.743 -2.418 -7.300 132 1HB ASP 17 1HB ASP 17 -9.722 -0.365 -6.388 133 2HB ASP 17 2HB ASP 17 -9.502 -1.493 -7.720 134 H ILE 18 H ILE 18 -11.187 -1.905 -3.986 135 HA ILE 18 HA ILE 18 -9.052 -3.826 -3.702 136 HB ILE 18 HB ILE 18 -10.804 -2.460 -1.652 137 1HG1 ILE 18 1HG1 ILE 18 -7.854 -2.087 -2.135 138 2HG1 ILE 18 2HG1 ILE 18 -9.061 -1.142 -2.992 139 1HG2 ILE 18 1HG2 ILE 18 -8.449 -4.297 -1.232 140 2HG2 ILE 18 2HG2 ILE 18 -10.122 -4.603 -0.767 141 3HG2 ILE 18 3HG2 ILE 18 -9.206 -3.319 0.024 142 1HD1 ILE 18 1HD1 ILE 18 -8.674 -1.236 -0.011 143 2HD1 ILE 18 2HD1 ILE 18 -9.900 -0.294 -0.859 144 3HD1 ILE 18 3HD1 ILE 18 -8.189 0.073 -1.087 145 H MET 19 H MET 19 -12.506 -3.700 -2.879 146 HA MET 19 HA MET 19 -12.853 -6.162 -1.723 147 1HB MET 19 1HB MET 19 -14.743 -4.743 -3.600 148 2HB MET 19 2HB MET 19 -15.190 -6.073 -2.542 149 1HG MET 19 1HG MET 19 -14.635 -4.734 -0.593 150 2HG MET 19 2HG MET 19 -14.131 -3.406 -1.637 151 1HE MET 19 1HE MET 19 -17.133 -5.583 -0.372 152 2HE MET 19 2HE MET 19 -17.214 -5.823 -2.117 153 3HE MET 19 3HE MET 19 -18.481 -4.913 -1.293 154 HA PRO 20 HA PRO 20 -13.701 -7.823 -6.440 155 1HB PRO 20 1HB PRO 20 -11.121 -6.492 -7.201 156 2HB PRO 20 2HB PRO 20 -12.479 -6.968 -8.228 157 1HG PRO 20 1HG PRO 20 -12.186 -4.439 -7.435 158 2HG PRO 20 2HG PRO 20 -13.790 -5.184 -7.552 159 1HD PRO 20 1HD PRO 20 -12.232 -4.443 -5.156 160 2HD PRO 20 2HD PRO 20 -13.981 -4.658 -5.342 161 H CYS 21 H CYS 21 -10.268 -7.279 -5.528 162 HA CYS 21 HA CYS 21 -9.602 -9.990 -6.066 163 1HB CYS 21 1HB CYS 21 -8.072 -7.755 -4.760 164 2HB CYS 21 2HB CYS 21 -7.413 -9.376 -4.908 165 H ALA 22 H ALA 22 -10.701 -8.337 -3.217 166 HA ALA 22 HA ALA 22 -9.749 -9.978 -1.200 167 1HB ALA 22 1HB ALA 22 -11.651 -9.272 0.121 168 2HB ALA 22 2HB ALA 22 -12.507 -8.762 -1.333 169 3HB ALA 22 3HB ALA 22 -11.049 -7.911 -0.826 170 H ASP 23 H ASP 23 -12.597 -10.425 -3.255 171 HA ASP 23 HA ASP 23 -13.203 -12.988 -2.042 172 1HB ASP 23 1HB ASP 23 -15.048 -11.550 -2.768 173 2HB ASP 23 2HB ASP 23 -14.432 -11.566 -4.418 174 H GLU 24 H GLU 24 -11.236 -11.780 -4.503 175 HA GLU 24 HA GLU 24 -11.328 -13.894 -6.367 176 1HB GLU 24 1HB GLU 24 -10.380 -11.570 -6.697 177 2HB GLU 24 2HB GLU 24 -8.952 -12.126 -5.840 178 1HG GLU 24 1HG GLU 24 -8.573 -12.253 -8.208 179 2HG GLU 24 2HG GLU 24 -8.642 -13.881 -7.534 180 H LEU 25 H LEU 25 -8.887 -13.221 -3.796 181 HA LEU 25 HA LEU 25 -7.736 -15.850 -4.296 182 1HB LEU 25 1HB LEU 25 -6.951 -13.984 -2.071 183 2HB LEU 25 2HB LEU 25 -5.971 -15.205 -2.870 184 HG LEU 25 HG LEU 25 -6.603 -13.498 -4.942 185 1HD1 LEU 25 1HD1 LEU 25 -5.894 -11.778 -2.589 186 2HD1 LEU 25 2HD1 LEU 25 -7.540 -11.959 -3.191 187 3HD1 LEU 25 3HD1 LEU 25 -6.293 -11.271 -4.231 188 1HD2 LEU 25 1HD2 LEU 25 -4.429 -14.481 -4.583 189 2HD2 LEU 25 2HD2 LEU 25 -4.191 -13.497 -3.138 190 3HD2 LEU 25 3HD2 LEU 25 -4.272 -12.730 -4.724 191 H HIS 26 H HIS 26 -9.424 -14.180 -1.642 192 HA HIS 26 HA HIS 26 -10.774 -16.453 -0.758 193 1HB HIS 26 1HB HIS 26 -8.363 -17.101 -0.149 194 2HB HIS 26 2HB HIS 26 -8.471 -15.860 1.093 195 HD1 HIS 26 1HD HIS 26 -10.808 -18.688 0.049 196 HD2 HIS 26 2HD HIS 26 -9.022 -17.074 3.434 197 HE1 HIS 26 1HE HIS 26 -11.636 -20.078 1.973 198 HE2 HIS 26 2HE HIS 26 -10.498 -19.120 4.006 199 H ILE 27 H ILE 27 -8.956 -13.880 0.815 200 HA ILE 27 HA ILE 27 -11.393 -12.522 1.676 201 HB ILE 27 HB ILE 27 -10.121 -12.413 4.013 202 1HG1 ILE 27 1HG1 ILE 27 -9.520 -15.254 3.402 203 2HG1 ILE 27 2HG1 ILE 27 -8.409 -14.060 2.725 204 1HG2 ILE 27 1HG2 ILE 27 -12.415 -13.186 3.682 205 2HG2 ILE 27 2HG2 ILE 27 -11.551 -14.233 4.807 206 3HG2 ILE 27 3HG2 ILE 27 -11.815 -14.756 3.144 207 1HD1 ILE 27 1HD1 ILE 27 -9.097 -14.495 5.627 208 2HD1 ILE 27 2HD1 ILE 27 -8.124 -13.153 5.027 209 3HD1 ILE 27 3HD1 ILE 27 -7.558 -14.810 4.826 210 H SER 28 H SER 28 -10.880 -10.389 2.667 211 HA SER 28 HA SER 28 -8.611 -9.176 1.340 212 1HB SER 28 1HB SER 28 -9.559 -7.067 1.941 213 2HB SER 28 2HB SER 28 -10.897 -8.097 1.440 214 HG SER 28 HG SER 28 -10.124 -7.416 4.078 215 H GLU 29 H GLU 29 -7.205 -7.639 2.570 216 HA GLU 29 HA GLU 29 -6.061 -9.002 4.804 217 1HB GLU 29 1HB GLU 29 -4.502 -7.014 4.843 218 2HB GLU 29 2HB GLU 29 -4.535 -7.936 3.347 219 1HG GLU 29 1HG GLU 29 -4.487 -5.663 2.743 220 2HG GLU 29 2HG GLU 29 -6.130 -6.226 2.441 221 H ASP 30 H ASP 30 -8.725 -7.136 4.664 222 HA ASP 30 HA ASP 30 -8.274 -5.600 7.087 223 1HB ASP 30 1HB ASP 30 -9.614 -4.606 5.291 224 2HB ASP 30 2HB ASP 30 -10.760 -5.939 5.389 225 H ILE 31 H ILE 31 -10.037 -8.445 6.017 226 HA ILE 31 HA ILE 31 -10.952 -8.943 8.762 227 HB ILE 31 HB ILE 31 -11.719 -10.463 6.268 228 1HG1 ILE 31 1HG1 ILE 31 -12.374 -8.111 6.027 229 2HG1 ILE 31 2HG1 ILE 31 -13.786 -9.135 6.251 230 1HG2 ILE 31 1HG2 ILE 31 -13.642 -11.178 7.634 231 2HG2 ILE 31 2HG2 ILE 31 -12.956 -10.318 9.012 232 3HG2 ILE 31 3HG2 ILE 31 -12.097 -11.691 8.314 233 1HD1 ILE 31 1HD1 ILE 31 -13.970 -7.064 7.509 234 2HD1 ILE 31 2HD1 ILE 31 -12.485 -7.448 8.376 235 3HD1 ILE 31 3HD1 ILE 31 -13.915 -8.459 8.585 236 H ALA 32 H ALA 32 -8.591 -9.852 6.502 237 HA ALA 32 HA ALA 32 -8.171 -12.553 7.102 238 1HB ALA 32 1HB ALA 32 -6.153 -10.471 6.271 239 2HB ALA 32 2HB ALA 32 -7.142 -11.453 5.191 240 3HB ALA 32 3HB ALA 32 -5.918 -12.217 6.203 241 H THR 33 H THR 33 -7.606 -9.744 8.976 242 HA THR 33 HA THR 33 -5.528 -10.884 10.626 243 HB THR 33 HB THR 33 -5.587 -8.462 10.251 244 HG1 THR 33 1HG THR 33 -5.134 -7.944 12.355 245 1HG2 THR 33 1HG2 THR 33 -8.159 -8.507 11.834 246 2HG2 THR 33 2HG2 THR 33 -8.028 -8.190 10.104 247 3HG2 THR 33 3HG2 THR 33 -7.313 -7.069 11.263 248 H ASN 34 H ASN 34 -7.940 -12.436 10.467 249 HA ASN 34 HA ASN 34 -9.493 -12.077 12.830 250 1HB ASN 34 1HB ASN 34 -10.335 -13.260 10.817 251 2HB ASN 34 2HB ASN 34 -9.178 -14.552 11.116 252 1HD2 ASN 34 1HD2 ASN 34 -10.896 -12.844 13.637 253 2HD2 ASN 34 2HD2 ASN 34 -11.878 -14.175 14.135 254 H ILE 35 H ILE 35 -6.366 -13.065 12.384 255 HA ILE 35 HA ILE 35 -6.392 -14.632 14.877 256 HB ILE 35 HB ILE 35 -4.292 -15.714 14.070 257 1HG1 ILE 35 1HG1 ILE 35 -3.974 -13.854 12.275 258 2HG1 ILE 35 2HG1 ILE 35 -3.502 -15.504 11.889 259 1HG2 ILE 35 1HG2 ILE 35 -6.809 -16.155 12.480 260 2HG2 ILE 35 2HG2 ILE 35 -6.358 -16.922 14.003 261 3HG2 ILE 35 3HG2 ILE 35 -5.450 -17.277 12.534 262 1HD1 ILE 35 1HD1 ILE 35 -5.471 -15.825 10.574 263 2HD1 ILE 35 2HD1 ILE 35 -4.701 -14.322 10.068 264 3HD1 ILE 35 3HD1 ILE 35 -6.132 -14.276 11.095 265 H GLN 36 H GLN 36 -4.907 -12.070 13.035 266 HA GLN 36 HA GLN 36 -3.474 -10.397 13.597 267 1HB GLN 36 1HB GLN 36 -4.064 -11.218 16.445 268 2HB GLN 36 2HB GLN 36 -3.381 -9.685 15.924 269 1HG GLN 36 1HG GLN 36 -5.441 -9.127 14.777 270 2HG GLN 36 2HG GLN 36 -6.128 -10.690 15.215 271 1HE2 GLN 36 1HE2 GLN 36 -7.094 -8.021 15.821 272 2HE2 GLN 36 2HE2 GLN 36 -7.181 -7.914 17.544 273 H ALA 37 H ALA 37 -1.445 -10.790 13.003 274 HA ALA 37 HA ALA 37 0.082 -12.945 14.152 275 1HB ALA 37 1HB ALA 37 0.238 -12.408 11.767 276 2HB ALA 37 2HB ALA 37 1.807 -12.313 12.567 277 3HB ALA 37 3HB ALA 37 0.928 -10.836 12.172 278 H ALA 38 H ALA 38 1.126 -9.567 13.638 279 HA ALA 38 HA ALA 38 1.606 -9.021 16.368 280 1HB ALA 38 1HB ALA 38 3.325 -10.744 16.106 281 2HB ALA 38 2HB ALA 38 4.033 -9.164 16.443 282 3HB ALA 38 3HB ALA 38 4.059 -9.811 14.803 283 H LYS 39 H LYS 39 3.350 -8.392 13.302 284 HA LYS 39 HA LYS 39 3.968 -5.735 13.821 285 1HB LYS 39 1HB LYS 39 4.928 -7.090 11.980 286 2HB LYS 39 2HB LYS 39 3.403 -6.960 11.117 287 1HG LYS 39 1HG LYS 39 4.970 -5.377 10.220 288 2HG LYS 39 2HG LYS 39 3.681 -4.508 11.055 289 1HD LYS 39 1HD LYS 39 5.126 -4.228 13.006 290 2HD LYS 39 2HD LYS 39 6.411 -5.119 12.188 291 1HE LYS 39 1HE LYS 39 6.503 -3.403 10.452 292 2HE LYS 39 2HE LYS 39 5.201 -2.521 11.247 293 1HZ LYS 39 1HZ LYS 39 7.374 -1.597 11.777 294 2HZ LYS 39 2HZ LYS 39 7.869 -3.078 12.428 295 3HZ LYS 39 3HZ LYS 39 6.623 -2.205 13.166 296 H ASN 40 H ASN 40 1.335 -6.856 11.679 297 HA ASN 40 HA ASN 40 -0.169 -4.454 12.472 298 1HB ASN 40 1HB ASN 40 -0.993 -4.166 10.233 299 2HB ASN 40 2HB ASN 40 0.764 -4.245 10.169 300 1HD2 ASN 40 1HD2 ASN 40 0.929 -7.100 10.470 301 2HD2 ASN 40 2HD2 ASN 40 0.376 -7.795 8.990 302 H GLY 41 H GLY 41 -0.195 -7.857 11.860 303 1HA GLY 41 1HA GLY 41 -1.857 -9.174 13.036 304 2HA GLY 41 2HA GLY 41 -3.028 -7.915 12.672 305 H ALA 42 H ALA 42 -1.583 -7.914 9.888 306 HA ALA 42 HA ALA 42 -3.482 -9.730 8.680 307 1HB ALA 42 1HB ALA 42 -3.098 -7.512 7.712 308 2HB ALA 42 2HB ALA 42 -2.727 -8.796 6.562 309 3HB ALA 42 3HB ALA 42 -1.421 -7.948 7.386 310 H ASP 43 H ASP 43 -0.500 -10.119 9.987 311 HA ASP 43 HA ASP 43 1.009 -11.813 9.973 312 1HB ASP 43 1HB ASP 43 -1.032 -13.243 9.660 313 2HB ASP 43 2HB ASP 43 -0.747 -13.170 7.924 314 H MET 44 H MET 44 0.356 -9.885 7.380 315 HA MET 44 HA MET 44 1.540 -9.203 5.558 316 1HB MET 44 1HB MET 44 3.353 -9.473 7.493 317 2HB MET 44 2HB MET 44 3.962 -10.709 6.400 318 1HG MET 44 1HG MET 44 4.173 -9.085 4.624 319 2HG MET 44 2HG MET 44 3.465 -7.837 5.649 320 1HE MET 44 1HE MET 44 6.201 -7.327 8.379 321 2HE MET 44 2HE MET 44 4.796 -8.387 8.470 322 3HE MET 44 3HE MET 44 4.647 -6.785 7.748 323 H SER 45 H SER 45 0.481 -12.183 5.904 324 HA SER 45 HA SER 45 1.988 -13.500 3.800 325 1HB SER 45 1HB SER 45 1.209 -14.851 5.678 326 2HB SER 45 2HB SER 45 -0.460 -14.391 5.346 327 HG SER 45 HG SER 45 1.231 -16.120 3.931 328 H GLN 46 H GLN 46 -1.451 -12.664 4.299 329 HA GLN 46 HA GLN 46 -1.932 -12.854 1.441 330 1HB GLN 46 1HB GLN 46 -3.629 -12.582 3.876 331 2HB GLN 46 2HB GLN 46 -4.279 -11.974 2.361 332 1HG GLN 46 1HG GLN 46 -3.248 -14.771 2.760 333 2HG GLN 46 2HG GLN 46 -4.943 -14.303 2.890 334 1HE2 GLN 46 1HE2 GLN 46 -2.242 -14.729 0.738 335 2HE2 GLN 46 2HE2 GLN 46 -3.149 -14.714 -0.731 336 H LEU 47 H LEU 47 -1.058 -10.523 3.724 337 HA LEU 47 HA LEU 47 -2.214 -8.218 2.524 338 1HB LEU 47 1HB LEU 47 -1.450 -8.342 4.882 339 2HB LEU 47 2HB LEU 47 0.203 -8.458 4.316 340 HG LEU 47 HG LEU 47 -0.210 -6.184 3.196 341 1HD1 LEU 47 1HD1 LEU 47 -2.505 -6.241 5.149 342 2HD1 LEU 47 2HD1 LEU 47 -2.625 -6.150 3.392 343 3HD1 LEU 47 3HD1 LEU 47 -1.921 -4.811 4.298 344 1HD2 LEU 47 1HD2 LEU 47 1.231 -6.513 5.136 345 2HD2 LEU 47 2HD2 LEU 47 -0.170 -6.412 6.203 346 3HD2 LEU 47 3HD2 LEU 47 0.328 -5.003 5.265 347 H GLY 48 H GLY 48 0.826 -9.947 2.147 348 1HA GLY 48 1HA GLY 48 2.044 -7.947 0.511 349 2HA GLY 48 2HA GLY 48 2.599 -9.601 0.724 350 H CYS 49 H CYS 49 -0.653 -9.534 -0.205 351 HA CYS 49 HA CYS 49 -0.048 -9.470 -3.044 352 1HB CYS 49 1HB CYS 49 -1.532 -11.696 -3.068 353 2HB CYS 49 2HB CYS 49 0.226 -11.696 -3.071 354 H LEU 50 H LEU 50 -2.728 -10.549 -0.933 355 HA LEU 50 HA LEU 50 -4.808 -9.816 -2.571 356 1HB LEU 50 1HB LEU 50 -5.210 -11.033 -0.531 357 2HB LEU 50 2HB LEU 50 -4.627 -9.699 0.440 358 HG LEU 50 HG LEU 50 -7.156 -10.111 0.327 359 1HD1 LEU 50 1HD1 LEU 50 -6.215 -7.335 -0.325 360 2HD1 LEU 50 2HD1 LEU 50 -6.044 -8.099 1.255 361 3HD1 LEU 50 3HD1 LEU 50 -7.649 -7.803 0.587 362 1HD2 LEU 50 1HD2 LEU 50 -6.680 -8.929 -2.393 363 2HD2 LEU 50 2HD2 LEU 50 -8.225 -8.789 -1.556 364 3HD2 LEU 50 3HD2 LEU 50 -7.586 -10.379 -1.962 365 H LYS 51 H LYS 51 -2.990 -7.818 -0.296 366 HA LYS 51 HA LYS 51 -4.477 -5.450 -0.991 367 1HB LYS 51 1HB LYS 51 -3.430 -5.875 1.281 368 2HB LYS 51 2HB LYS 51 -1.868 -5.582 0.528 369 1HG LYS 51 1HG LYS 51 -2.473 -3.328 -0.004 370 2HG LYS 51 2HG LYS 51 -4.132 -3.599 0.532 371 1HD LYS 51 1HD LYS 51 -3.249 -4.059 2.814 372 2HD LYS 51 2HD LYS 51 -1.644 -3.604 2.238 373 1HE LYS 51 1HE LYS 51 -2.487 -1.376 1.669 374 2HE LYS 51 2HE LYS 51 -4.090 -1.835 2.242 375 1HZ LYS 51 1HZ LYS 51 -2.857 -0.566 3.900 376 2HZ LYS 51 2HZ LYS 51 -1.637 -1.739 3.914 377 3HZ LYS 51 3HZ LYS 51 -3.190 -2.130 4.454 378 H ALA 52 H ALA 52 -1.735 -7.178 -2.166 379 HA ALA 52 HA ALA 52 -0.375 -4.985 -3.400 380 1HB ALA 52 1HB ALA 52 -0.279 -7.888 -4.214 381 2HB ALA 52 2HB ALA 52 0.667 -7.202 -2.895 382 3HB ALA 52 3HB ALA 52 0.923 -6.641 -4.548 383 H CYS 53 H CYS 53 -3.152 -6.849 -4.131 384 HA CYS 53 HA CYS 53 -3.280 -6.632 -6.915 385 1HB CYS 53 1HB CYS 53 -4.853 -8.082 -5.964 386 2HB CYS 53 2HB CYS 53 -5.343 -6.907 -4.748 387 H VAL 54 H VAL 54 -3.971 -4.375 -4.361 388 HA VAL 54 HA VAL 54 -5.411 -2.461 -5.866 389 HB VAL 54 HB VAL 54 -3.684 -1.980 -3.432 390 1HG1 VAL 54 1HG1 VAL 54 -4.318 0.068 -4.573 391 2HG1 VAL 54 2HG1 VAL 54 -5.181 -0.076 -3.043 392 3HG1 VAL 54 3HG1 VAL 54 -6.011 -0.428 -4.559 393 1HG2 VAL 54 1HG2 VAL 54 -6.586 -2.781 -3.617 394 2HG2 VAL 54 2HG2 VAL 54 -5.768 -2.267 -2.142 395 3HG2 VAL 54 3HG2 VAL 54 -5.265 -3.746 -2.957 396 H MET 55 H MET 55 -2.025 -3.158 -5.461 397 HA MET 55 HA MET 55 -1.051 -0.671 -6.454 398 1HB MET 55 1HB MET 55 0.281 -3.370 -6.191 399 2HB MET 55 2HB MET 55 1.118 -1.894 -6.647 400 1HG MET 55 1HG MET 55 0.338 -0.903 -4.473 401 2HG MET 55 2HG MET 55 -0.208 -2.518 -4.025 402 1HE MET 55 1HE MET 55 1.931 -4.354 -5.323 403 2HE MET 55 2HE MET 55 1.481 -4.605 -3.637 404 3HE MET 55 3HE MET 55 3.182 -4.515 -4.092 405 H LYS 56 H LYS 56 -0.862 -3.922 -7.924 406 HA LYS 56 HA LYS 56 -0.187 -3.040 -10.482 407 1HB LYS 56 1HB LYS 56 -1.502 -5.361 -11.018 408 2HB LYS 56 2HB LYS 56 0.176 -5.245 -10.514 409 1HG LYS 56 1HG LYS 56 -0.230 -6.122 -8.489 410 2HG LYS 56 2HG LYS 56 -1.798 -5.327 -8.340 411 1HD LYS 56 1HD LYS 56 -1.333 -7.593 -10.244 412 2HD LYS 56 2HD LYS 56 -1.784 -7.872 -8.560 413 1HE LYS 56 1HE LYS 56 -3.808 -6.540 -8.885 414 2HE LYS 56 2HE LYS 56 -3.350 -6.245 -10.562 415 1HZ LYS 56 1HZ LYS 56 -3.519 -8.609 -10.994 416 2HZ LYS 56 2HZ LYS 56 -4.980 -8.024 -10.372 417 3HZ LYS 56 3HZ LYS 56 -3.931 -8.908 -9.381 418 H ARG 57 H ARG 57 -3.158 -2.797 -8.864 419 HA ARG 57 HA ARG 57 -4.901 -2.925 -11.118 420 1HB ARG 57 1HB ARG 57 -5.651 -3.272 -8.779 421 2HB ARG 57 2HB ARG 57 -5.340 -1.575 -8.447 422 1HG ARG 57 1HG ARG 57 -7.645 -1.719 -8.795 423 2HG ARG 57 2HG ARG 57 -7.002 -1.069 -10.304 424 1HD ARG 57 1HD ARG 57 -7.577 -3.991 -9.846 425 2HD ARG 57 2HD ARG 57 -8.732 -2.872 -10.569 426 HE ARG 57 HE ARG 57 -6.604 -2.531 -12.145 427 1HH1 ARG 57 1HH1 ARG 57 -8.139 -5.430 -10.968 428 2HH1 ARG 57 2HH1 ARG 57 -7.708 -6.375 -12.355 429 1HH2 ARG 57 1HH2 ARG 57 -6.033 -3.767 -13.972 430 2HH2 ARG 57 2HH2 ARG 57 -6.511 -5.430 -14.060 431 H ILE 58 H ILE 58 -3.089 -0.361 -9.543 432 HA ILE 58 HA ILE 58 -4.154 1.551 -11.517 433 HB ILE 58 HB ILE 58 -3.430 3.339 -9.958 434 1HG1 ILE 58 1HG1 ILE 58 -3.015 1.066 -8.001 435 2HG1 ILE 58 2HG1 ILE 58 -1.713 1.962 -8.774 436 1HG2 ILE 58 1HG2 ILE 58 -5.272 3.040 -8.381 437 2HG2 ILE 58 2HG2 ILE 58 -5.361 1.331 -8.805 438 3HG2 ILE 58 3HG2 ILE 58 -5.742 2.559 -10.011 439 1HD1 ILE 58 1HD1 ILE 58 -3.776 3.084 -6.894 440 2HD1 ILE 58 2HD1 ILE 58 -2.509 4.014 -7.696 441 3HD1 ILE 58 3HD1 ILE 58 -2.081 2.763 -6.529 442 H GLU 59 H GLU 59 -2.013 -0.278 -12.089 443 HA GLU 59 HA GLU 59 -0.002 -0.302 -13.143 444 1HB GLU 59 1HB GLU 59 -0.481 2.676 -13.170 445 2HB GLU 59 2HB GLU 59 0.908 1.921 -13.941 446 1HG GLU 59 1HG GLU 59 -1.978 1.359 -14.594 447 2HG GLU 59 2HG GLU 59 -0.892 2.390 -15.525 448 H MET 60 H MET 60 -0.367 0.420 -10.104 449 HA MET 60 HA MET 60 2.172 1.606 -9.446 450 1HB MET 60 1HB MET 60 0.299 2.028 -7.987 451 2HB MET 60 2HB MET 60 0.014 0.311 -7.771 452 1HG MET 60 1HG MET 60 1.053 1.359 -5.818 453 2HG MET 60 2HG MET 60 2.049 0.083 -6.511 454 1HE MET 60 1HE MET 60 3.166 2.101 -4.426 455 2HE MET 60 2HE MET 60 4.695 2.615 -5.140 456 3HE MET 60 3HE MET 60 4.219 0.918 -5.203 457 H LEU 61 H LEU 61 1.501 -1.249 -10.736 458 HA LEU 61 HA LEU 61 3.930 -2.466 -9.912 459 1HB LEU 61 1HB LEU 61 2.718 -3.108 -7.954 460 2HB LEU 61 2HB LEU 61 1.330 -3.603 -8.900 461 HG LEU 61 HG LEU 61 2.574 -5.505 -9.788 462 1HD1 LEU 61 1HD1 LEU 61 4.829 -4.506 -8.049 463 2HD1 LEU 61 2HD1 LEU 61 4.808 -4.558 -9.812 464 3HD1 LEU 61 3HD1 LEU 61 4.794 -6.058 -8.885 465 1HD2 LEU 61 1HD2 LEU 61 2.817 -5.361 -6.788 466 2HD2 LEU 61 2HD2 LEU 61 2.684 -6.815 -7.774 467 3HD2 LEU 61 3HD2 LEU 61 1.323 -5.701 -7.661 468 H LYS 62 H LYS 62 4.449 -2.741 -12.033 469 HA LYS 62 HA LYS 62 2.561 -3.955 -13.867 470 1HB LYS 62 1HB LYS 62 5.386 -2.948 -14.198 471 2HB LYS 62 2HB LYS 62 4.498 -3.741 -15.492 472 1HG LYS 62 1HG LYS 62 2.871 -1.674 -14.399 473 2HG LYS 62 2HG LYS 62 4.469 -1.021 -14.760 474 1HD LYS 62 1HD LYS 62 3.084 -0.768 -16.706 475 2HD LYS 62 2HD LYS 62 4.297 -2.006 -17.038 476 1HE LYS 62 1HE LYS 62 2.638 -3.746 -16.542 477 2HE LYS 62 2HE LYS 62 1.430 -2.500 -16.234 478 1HZ LYS 62 1HZ LYS 62 1.653 -1.769 -18.527 479 2HZ LYS 62 2HZ LYS 62 1.217 -3.402 -18.460 480 3HZ LYS 62 3HZ LYS 62 2.811 -2.969 -18.822 481 H GLY 63 H GLY 63 2.385 -5.966 -12.672 482 1HA GLY 63 1HA GLY 63 2.784 -8.246 -12.698 483 2HA GLY 63 2HA GLY 63 4.188 -7.950 -13.713 484 H THR 64 H THR 64 5.989 -6.723 -12.468 485 HA THR 64 HA THR 64 6.208 -7.541 -9.688 486 HB THR 64 HB THR 64 8.361 -8.642 -9.990 487 HG1 THR 64 1HG THR 64 8.778 -9.163 -12.384 488 1HG2 THR 64 1HG2 THR 64 6.286 -9.803 -11.857 489 2HG2 THR 64 2HG2 THR 64 6.352 -10.048 -10.113 490 3HG2 THR 64 3HG2 THR 64 7.639 -10.677 -11.140 491 H GLU 65 H GLU 65 6.251 -5.088 -11.611 492 HA GLU 65 HA GLU 65 8.782 -3.912 -10.688 493 1HB GLU 65 1HB GLU 65 6.930 -2.957 -12.869 494 2HB GLU 65 2HB GLU 65 8.518 -2.313 -12.487 495 1HG GLU 65 1HG GLU 65 7.966 -5.093 -13.496 496 2HG GLU 65 2HG GLU 65 8.555 -3.744 -14.467 497 H LEU 66 H LEU 66 8.506 -2.807 -8.821 498 HA LEU 66 HA LEU 66 6.055 -1.613 -8.043 499 1HB LEU 66 1HB LEU 66 8.885 -1.340 -7.056 500 2HB LEU 66 2HB LEU 66 7.548 -0.473 -6.327 501 HG LEU 66 HG LEU 66 8.092 -2.449 -5.049 502 1HD1 LEU 66 1HD1 LEU 66 5.475 -2.758 -6.499 503 2HD1 LEU 66 2HD1 LEU 66 5.766 -1.724 -5.101 504 3HD1 LEU 66 3HD1 LEU 66 5.886 -3.476 -4.941 505 1HD2 LEU 66 1HD2 LEU 66 7.410 -4.056 -7.492 506 2HD2 LEU 66 2HD2 LEU 66 7.842 -4.685 -5.902 507 3HD2 LEU 66 3HD2 LEU 66 9.035 -3.803 -6.854 508 H TYR 67 H TYR 67 5.294 0.431 -8.325 509 HA TYR 67 HA TYR 67 6.934 2.227 -9.976 510 1HB TYR 67 1HB TYR 67 4.063 1.582 -9.903 511 2HB TYR 67 2HB TYR 67 4.426 3.295 -10.078 512 HD1 TYR 67 1HD TYR 67 5.843 0.117 -11.455 513 HD2 TYR 67 2HD TYR 67 4.344 4.015 -12.265 514 HE1 TYR 67 1HE TYR 67 6.252 -0.231 -13.853 515 HE2 TYR 67 2HE TYR 67 4.748 3.677 -14.667 516 HH TYR 67 HH TYR 67 5.420 0.648 -16.009 517 H VAL 68 H VAL 68 6.228 4.624 -9.659 518 HA VAL 68 HA VAL 68 5.842 5.251 -6.827 519 HB VAL 68 HB VAL 68 7.683 6.898 -6.889 520 1HG1 VAL 68 1HG1 VAL 68 8.044 4.703 -5.897 521 2HG1 VAL 68 2HG1 VAL 68 9.514 5.297 -6.670 522 3HG1 VAL 68 3HG1 VAL 68 8.535 4.066 -7.467 523 1HG2 VAL 68 1HG2 VAL 68 7.817 7.264 -9.281 524 2HG2 VAL 68 2HG2 VAL 68 8.349 5.600 -9.527 525 3HG2 VAL 68 3HG2 VAL 68 9.381 6.736 -8.662 526 H GLU 69 H GLU 69 5.664 6.132 -10.170 527 HA GLU 69 HA GLU 69 5.038 8.835 -9.999 528 1HB GLU 69 1HB GLU 69 4.036 6.779 -11.975 529 2HB GLU 69 2HB GLU 69 3.868 8.518 -12.172 530 1HG GLU 69 1HG GLU 69 6.466 7.007 -11.987 531 2HG GLU 69 2HG GLU 69 5.738 7.642 -13.462 532 HA PRO 70 HA PRO 70 0.340 7.600 -9.650 533 1HB PRO 70 1HB PRO 70 -0.124 5.147 -8.507 534 2HB PRO 70 2HB PRO 70 -0.140 5.448 -10.248 535 1HG PRO 70 1HG PRO 70 2.029 4.299 -8.541 536 2HG PRO 70 2HG PRO 70 1.499 3.813 -10.162 537 1HD PRO 70 1HD PRO 70 3.714 5.292 -9.765 538 2HD PRO 70 2HD PRO 70 2.685 5.504 -11.195 539 H VAL 71 H VAL 71 2.897 6.953 -7.473 540 HA VAL 71 HA VAL 71 1.270 7.159 -5.081 541 HB VAL 71 HB VAL 71 4.267 7.291 -5.107 542 1HG1 VAL 71 1HG1 VAL 71 4.078 6.288 -2.938 543 2HG1 VAL 71 2HG1 VAL 71 2.346 6.032 -3.158 544 3HG1 VAL 71 3HG1 VAL 71 2.984 7.669 -3.011 545 1HG2 VAL 71 1HG2 VAL 71 4.314 4.831 -4.996 546 2HG2 VAL 71 2HG2 VAL 71 3.711 5.421 -6.544 547 3HG2 VAL 71 3HG2 VAL 71 2.584 4.798 -5.338 548 H TYR 72 H TYR 72 3.838 9.076 -6.635 549 HA TYR 72 HA TYR 72 3.846 11.204 -4.839 550 1HB TYR 72 1HB TYR 72 4.338 11.350 -7.822 551 2HB TYR 72 2HB TYR 72 4.882 12.513 -6.621 552 HD1 TYR 72 1HD TYR 72 6.474 10.799 -8.710 553 HD2 TYR 72 2HD TYR 72 5.748 10.409 -4.535 554 HE1 TYR 72 1HE TYR 72 8.579 9.551 -8.465 555 HE2 TYR 72 2HE TYR 72 7.852 9.160 -4.280 556 HH TYR 72 HH TYR 72 10.216 9.025 -6.705 557 H LYS 73 H LYS 73 1.530 10.312 -7.218 558 HA LYS 73 HA LYS 73 0.318 12.933 -7.381 559 1HB LYS 73 1HB LYS 73 -0.379 10.259 -8.569 560 2HB LYS 73 2HB LYS 73 -1.412 11.669 -8.752 561 1HG LYS 73 1HG LYS 73 1.478 11.597 -9.585 562 2HG LYS 73 2HG LYS 73 0.129 11.240 -10.666 563 1HD LYS 73 1HD LYS 73 -0.580 13.417 -10.723 564 2HD LYS 73 2HD LYS 73 0.053 13.779 -9.117 565 1HE LYS 73 1HE LYS 73 2.297 13.867 -9.958 566 2HE LYS 73 2HE LYS 73 1.773 13.311 -11.547 567 1HZ LYS 73 1HZ LYS 73 2.143 15.710 -11.488 568 2HZ LYS 73 2HZ LYS 73 0.968 15.874 -10.281 569 3HZ LYS 73 3HZ LYS 73 0.525 15.347 -11.825 570 H MET 74 H MET 74 -0.523 9.783 -5.924 571 HA MET 74 HA MET 74 -3.051 10.705 -4.983 572 1HB MET 74 1HB MET 74 -3.175 8.619 -3.754 573 2HB MET 74 2HB MET 74 -2.599 8.314 -5.386 574 1HG MET 74 1HG MET 74 -0.342 8.109 -4.586 575 2HG MET 74 2HG MET 74 -0.846 8.517 -2.951 576 1HE MET 74 1HE MET 74 -2.503 6.171 -5.672 577 2HE MET 74 2HE MET 74 -1.890 4.601 -5.152 578 3HE MET 74 3HE MET 74 -0.775 5.824 -5.765 579 H ILE 75 H ILE 75 0.162 10.342 -3.545 580 HA ILE 75 HA ILE 75 -0.357 10.822 -0.894 581 HB ILE 75 HB ILE 75 1.959 11.769 -2.583 582 1HG1 ILE 75 1HG1 ILE 75 1.766 9.513 -0.575 583 2HG1 ILE 75 2HG1 ILE 75 1.607 9.308 -2.317 584 1HG2 ILE 75 1HG2 ILE 75 3.181 12.156 -0.507 585 2HG2 ILE 75 2HG2 ILE 75 1.729 11.791 0.421 586 3HG2 ILE 75 3HG2 ILE 75 1.773 13.209 -0.626 587 1HD1 ILE 75 1HD1 ILE 75 3.835 8.718 -1.524 588 2HD1 ILE 75 2HD1 ILE 75 4.045 10.354 -0.895 589 3HD1 ILE 75 3HD1 ILE 75 3.883 10.090 -2.632 590 H GLU 76 H GLU 76 -0.492 13.024 -3.568 591 HA GLU 76 HA GLU 76 -0.316 15.479 -2.254 592 1HB GLU 76 1HB GLU 76 -1.994 14.751 -4.663 593 2HB GLU 76 2HB GLU 76 -1.613 16.390 -4.157 594 1HG GLU 76 1HG GLU 76 0.780 15.909 -4.490 595 2HG GLU 76 2HG GLU 76 0.353 14.302 -5.074 596 H VAL 77 H VAL 77 -3.292 13.684 -3.101 597 HA VAL 77 HA VAL 77 -4.861 15.387 -1.340 598 HB VAL 77 HB VAL 77 -5.775 13.001 -2.953 599 1HG1 VAL 77 1HG1 VAL 77 -7.315 13.627 -1.180 600 2HG1 VAL 77 2HG1 VAL 77 -7.992 14.033 -2.756 601 3HG1 VAL 77 3HG1 VAL 77 -7.306 15.298 -1.738 602 1HG2 VAL 77 1HG2 VAL 77 -4.763 14.660 -4.419 603 2HG2 VAL 77 2HG2 VAL 77 -5.769 15.922 -3.708 604 3HG2 VAL 77 3HG2 VAL 77 -6.513 14.622 -4.637 605 H VAL 78 H VAL 78 -3.375 12.293 -1.340 606 HA VAL 78 HA VAL 78 -4.927 11.048 0.680 607 HB VAL 78 HB VAL 78 -2.204 10.459 -0.493 608 1HG1 VAL 78 1HG1 VAL 78 -3.664 8.865 1.621 609 2HG1 VAL 78 2HG1 VAL 78 -2.123 9.697 1.819 610 3HG1 VAL 78 3HG1 VAL 78 -2.246 8.318 0.727 611 1HG2 VAL 78 1HG2 VAL 78 -4.150 10.036 -1.899 612 2HG2 VAL 78 2HG2 VAL 78 -4.849 9.019 -0.640 613 3HG2 VAL 78 3HG2 VAL 78 -3.355 8.531 -1.439 614 H HIS 79 H HIS 79 -2.818 13.614 0.813 615 HA HIS 79 HA HIS 79 -2.606 13.389 3.707 616 1HB HIS 79 1HB HIS 79 -0.216 13.859 1.913 617 2HB HIS 79 2HB HIS 79 -0.213 14.100 3.656 618 HD1 HIS 79 1HD HIS 79 -0.368 11.950 5.145 619 HD2 HIS 79 2HD HIS 79 0.016 11.228 1.072 620 HE1 HIS 79 1HE HIS 79 0.252 9.521 4.948 621 HE2 HIS 79 2HE HIS 79 0.356 9.080 2.471 622 H ALA 80 H ALA 80 -4.351 14.973 2.340 623 HA ALA 80 HA ALA 80 -3.428 17.561 1.721 624 1HB ALA 80 1HB ALA 80 -6.169 16.733 2.672 625 2HB ALA 80 2HB ALA 80 -5.608 16.694 1.001 626 3HB ALA 80 3HB ALA 80 -5.761 18.235 1.842 627 H GLY 81 H GLY 81 -2.605 19.055 3.020 628 1HA GLY 81 1HA GLY 81 -3.555 20.298 5.155 629 2HA GLY 81 2HA GLY 81 -2.981 18.819 5.904 630 H ASN 82 H ASN 82 -0.668 18.267 5.497 631 HA ASN 82 HA ASN 82 0.938 20.712 5.675 632 1HB ASN 82 1HB ASN 82 1.534 17.867 6.507 633 2HB ASN 82 2HB ASN 82 2.679 19.198 6.640 634 1HD2 ASN 82 1HD2 ASN 82 2.347 20.794 8.173 635 2HD2 ASN 82 2HD2 ASN 82 1.238 20.598 9.482 636 H ALA 83 H ALA 83 2.192 21.311 4.052 637 HA ALA 83 HA ALA 83 2.353 19.913 1.621 638 1HB ALA 83 1HB ALA 83 4.148 22.114 2.642 639 2HB ALA 83 2HB ALA 83 2.619 22.339 1.792 640 3HB ALA 83 3HB ALA 83 3.988 21.600 0.963 641 H ASP 84 H ASP 84 4.276 19.751 4.502 642 HA ASP 84 HA ASP 84 6.477 18.404 3.190 643 1HB ASP 84 1HB ASP 84 5.988 18.698 6.156 644 2HB ASP 84 2HB ASP 84 7.500 18.263 5.358 645 H ASP 85 H ASP 85 3.529 17.567 4.818 646 HA ASP 85 HA ASP 85 4.096 14.949 5.608 647 1HB ASP 85 1HB ASP 85 1.952 16.267 6.030 648 2HB ASP 85 2HB ASP 85 1.471 15.838 4.392 649 H ILE 86 H ILE 86 3.292 16.358 2.519 650 HA ILE 86 HA ILE 86 3.115 13.907 1.073 651 HB ILE 86 HB ILE 86 3.484 16.773 0.180 652 1HG1 ILE 86 1HG1 ILE 86 1.065 14.978 -0.060 653 2HG1 ILE 86 2HG1 ILE 86 1.319 16.083 1.287 654 1HG2 ILE 86 1HG2 ILE 86 4.441 15.288 -1.495 655 2HG2 ILE 86 2HG2 ILE 86 2.945 16.011 -2.084 656 3HG2 ILE 86 3HG2 ILE 86 2.956 14.340 -1.523 657 1HD1 ILE 86 1HD1 ILE 86 1.079 16.864 -1.610 658 2HD1 ILE 86 2HD1 ILE 86 1.312 17.968 -0.254 659 3HD1 ILE 86 3HD1 ILE 86 -0.174 17.029 -0.379 660 H GLN 87 H GLN 87 5.644 16.086 2.017 661 HA GLN 87 HA GLN 87 7.589 15.070 0.158 662 1HB GLN 87 1HB GLN 87 8.343 17.136 0.564 663 2HB GLN 87 2HB GLN 87 7.349 17.287 2.003 664 1HG GLN 87 1HG GLN 87 9.561 17.593 2.705 665 2HG GLN 87 2HG GLN 87 9.119 15.966 3.216 666 1HE2 GLN 87 1HE2 GLN 87 11.241 15.276 3.313 667 2HE2 GLN 87 2HE2 GLN 87 12.197 15.001 1.901 668 H LEU 88 H LEU 88 6.501 14.293 3.329 669 HA LEU 88 HA LEU 88 8.903 12.958 4.161 670 1HB LEU 88 1HB LEU 88 7.282 14.020 5.727 671 2HB LEU 88 2HB LEU 88 6.122 12.772 5.317 672 HG LEU 88 HG LEU 88 8.790 11.938 6.367 673 1HD1 LEU 88 1HD1 LEU 88 8.106 13.722 7.879 674 2HD1 LEU 88 2HD1 LEU 88 7.974 12.148 8.662 675 3HD1 LEU 88 3HD1 LEU 88 6.525 12.964 8.074 676 1HD2 LEU 88 1HD2 LEU 88 5.977 10.887 6.668 677 2HD2 LEU 88 2HD2 LEU 88 7.421 10.152 7.362 678 3HD2 LEU 88 3HD2 LEU 88 7.230 10.237 5.611 679 H VAL 89 H VAL 89 5.602 11.760 3.539 680 HA VAL 89 HA VAL 89 6.246 9.045 3.497 681 HB VAL 89 HB VAL 89 4.118 8.737 2.252 682 1HG1 VAL 89 1HG1 VAL 89 3.936 10.681 4.551 683 2HG1 VAL 89 2HG1 VAL 89 4.168 8.939 4.704 684 3HG1 VAL 89 3HG1 VAL 89 2.674 9.572 4.012 685 1HG2 VAL 89 1HG2 VAL 89 2.731 10.707 1.791 686 2HG2 VAL 89 2HG2 VAL 89 4.220 10.711 0.844 687 3HG2 VAL 89 3HG2 VAL 89 4.072 11.749 2.261 688 H LYS 90 H LYS 90 6.567 11.481 1.034 689 HA LYS 90 HA LYS 90 6.636 9.910 -1.265 690 1HB LYS 90 1HB LYS 90 7.129 12.584 -0.617 691 2HB LYS 90 2HB LYS 90 8.620 12.020 -1.353 692 1HG LYS 90 1HG LYS 90 7.721 11.947 -3.394 693 2HG LYS 90 2HG LYS 90 6.237 11.199 -2.809 694 1HD LYS 90 1HD LYS 90 5.284 13.275 -2.240 695 2HD LYS 90 2HD LYS 90 6.833 14.105 -2.387 696 1HE LYS 90 1HE LYS 90 6.807 13.559 -4.825 697 2HE LYS 90 2HE LYS 90 5.174 12.926 -4.610 698 1HZ LYS 90 1HZ LYS 90 4.482 15.120 -3.834 699 2HZ LYS 90 2HZ LYS 90 5.103 15.186 -5.406 700 3HZ LYS 90 3HZ LYS 90 6.042 15.721 -4.104 701 H GLY 91 H GLY 91 9.108 10.535 1.155 702 1HA GLY 91 1HA GLY 91 11.155 9.133 -0.340 703 2HA GLY 91 2HA GLY 91 11.314 9.801 1.279 704 H ILE 92 H ILE 92 8.696 8.319 1.916 705 HA ILE 92 HA ILE 92 9.952 5.992 3.005 706 HB ILE 92 HB ILE 92 6.989 6.552 2.878 707 1HG1 ILE 92 1HG1 ILE 92 8.023 8.482 3.899 708 2HG1 ILE 92 2HG1 ILE 92 7.284 7.511 5.167 709 1HG2 ILE 92 1HG2 ILE 92 6.885 5.127 4.854 710 2HG2 ILE 92 2HG2 ILE 92 8.630 4.883 4.776 711 3HG2 ILE 92 3HG2 ILE 92 7.596 4.269 3.487 712 1HD1 ILE 92 1HD1 ILE 92 10.210 7.630 4.481 713 2HD1 ILE 92 2HD1 ILE 92 9.496 6.568 5.695 714 3HD1 ILE 92 3HD1 ILE 92 9.424 8.318 5.901 715 H ALA 93 H ALA 93 7.843 6.657 0.271 716 HA ALA 93 HA ALA 93 7.157 3.996 -0.354 717 1HB ALA 93 1HB ALA 93 7.412 6.349 -2.224 718 2HB ALA 93 2HB ALA 93 5.982 5.939 -1.280 719 3HB ALA 93 3HB ALA 93 6.542 4.851 -2.548 720 H ASN 94 H ASN 94 10.035 5.844 -0.864 721 HA ASN 94 HA ASN 94 11.107 4.088 -2.892 722 1HB ASN 94 1HB ASN 94 11.609 6.587 -2.659 723 2HB ASN 94 2HB ASN 94 12.637 6.147 -1.300 724 1HD2 ASN 94 1HD2 ASN 94 13.338 7.377 -3.839 725 2HD2 ASN 94 2HD2 ASN 94 14.509 6.339 -4.571 726 H GLU 95 H GLU 95 11.181 4.390 0.564 727 HA GLU 95 HA GLU 95 13.519 2.846 1.038 728 1HB GLU 95 1HB GLU 95 12.302 4.449 2.640 729 2HB GLU 95 2HB GLU 95 11.217 3.101 2.965 730 1HG GLU 95 1HG GLU 95 12.953 3.236 4.643 731 2HG GLU 95 2HG GLU 95 13.109 1.752 3.706 732 H CYS 96 H CYS 96 10.313 2.030 0.155 733 HA CYS 96 HA CYS 96 10.439 -0.673 1.209 734 1HB CYS 96 1HB CYS 96 8.384 0.498 -0.674 735 2HB CYS 96 2HB CYS 96 8.219 -0.938 0.329 736 H ILE 97 H ILE 97 10.577 0.932 -1.956 737 HA ILE 97 HA ILE 97 10.664 -1.375 -3.545 738 HB ILE 97 HB ILE 97 11.973 1.291 -4.100 739 1HG1 ILE 97 1HG1 ILE 97 9.242 0.253 -4.897 740 2HG1 ILE 97 2HG1 ILE 97 9.539 1.425 -3.617 741 1HG2 ILE 97 1HG2 ILE 97 11.811 0.632 -6.459 742 2HG2 ILE 97 2HG2 ILE 97 11.184 -0.942 -5.970 743 3HG2 ILE 97 3HG2 ILE 97 12.829 -0.477 -5.540 744 1HD1 ILE 97 1HD1 ILE 97 8.791 2.513 -5.646 745 2HD1 ILE 97 2HD1 ILE 97 10.138 1.807 -6.540 746 3HD1 ILE 97 3HD1 ILE 97 10.446 2.984 -5.261 747 H GLU 98 H GLU 98 13.219 0.371 -1.850 748 HA GLU 98 HA GLU 98 15.435 -0.866 -3.026 749 1HB GLU 98 1HB GLU 98 15.067 0.220 -0.231 750 2HB GLU 98 2HB GLU 98 16.616 -0.283 -0.892 751 1HG GLU 98 1HG GLU 98 16.455 1.416 -2.620 752 2HG GLU 98 2HG GLU 98 14.871 1.900 -2.014 753 H ASN 99 H ASN 99 13.339 -1.895 -0.398 754 HA ASN 99 HA ASN 99 14.910 -4.343 -0.066 755 1HB ASN 99 1HB ASN 99 14.121 -4.457 2.065 756 2HB ASN 99 2HB ASN 99 13.861 -2.735 1.823 757 1HD2 ASN 99 1HD2 ASN 99 11.741 -2.037 1.205 758 2HD2 ASN 99 2HD2 ASN 99 10.359 -2.948 1.703 759 H ALA 100 H ALA 100 12.382 -3.224 -1.861 760 HA ALA 100 HA ALA 100 11.361 -5.939 -2.291 761 1HB ALA 100 1HB ALA 100 9.585 -3.511 -2.060 762 2HB ALA 100 2HB ALA 100 9.786 -4.740 -0.810 763 3HB ALA 100 3HB ALA 100 9.073 -5.171 -2.366 764 H LYS 101 H LYS 101 13.232 -4.905 -3.893 765 HA LYS 101 HA LYS 101 12.670 -3.256 -5.966 766 1HB LYS 101 1HB LYS 101 13.991 -5.190 -7.342 767 2HB LYS 101 2HB LYS 101 14.759 -3.962 -6.350 768 1HG LYS 101 1HG LYS 101 15.665 -6.155 -5.879 769 2HG LYS 101 2HG LYS 101 14.819 -5.514 -4.477 770 1HD LYS 101 1HD LYS 101 12.803 -6.838 -5.310 771 2HD LYS 101 2HD LYS 101 13.954 -7.682 -6.350 772 1HE LYS 101 1HE LYS 101 14.267 -7.419 -3.368 773 2HE LYS 101 2HE LYS 101 13.492 -8.788 -4.150 774 1HZ LYS 101 1HZ LYS 101 15.554 -9.235 -5.333 775 2HZ LYS 101 2HZ LYS 101 15.807 -9.253 -3.661 776 3HZ LYS 101 3HZ LYS 101 16.295 -7.917 -4.575 777 H GLY 102 H GLY 102 11.314 -6.417 -5.448 778 1HA GLY 102 1HA GLY 102 9.045 -6.517 -6.598 779 2HA GLY 102 2HA GLY 102 9.970 -6.256 -8.068 780 H GLU 103 H GLU 103 9.121 -8.522 -5.567 781 HA GLU 103 HA GLU 103 10.800 -10.650 -6.392 782 1HB GLU 103 1HB GLU 103 8.175 -10.696 -4.892 783 2HB GLU 103 2HB GLU 103 9.252 -12.075 -5.069 784 1HG GLU 103 1HG GLU 103 10.072 -9.482 -3.792 785 2HG GLU 103 2HG GLU 103 9.416 -10.849 -2.895 786 H THR 104 H THR 104 9.503 -12.848 -6.956 787 HA THR 104 HA THR 104 8.311 -12.288 -9.563 788 HB THR 104 HB THR 104 10.129 -13.890 -9.561 789 HG1 THR 104 1HG THR 104 8.850 -14.597 -11.118 790 1HG2 THR 104 1HG2 THR 104 8.415 -15.550 -7.706 791 2HG2 THR 104 2HG2 THR 104 9.899 -14.707 -7.259 792 3HG2 THR 104 3HG2 THR 104 9.955 -16.041 -8.412 793 H ASP 105 H ASP 105 7.456 -13.569 -6.440 794 HA ASP 105 HA ASP 105 4.843 -14.420 -7.467 795 1HB ASP 105 1HB ASP 105 6.067 -16.071 -6.112 796 2HB ASP 105 2HB ASP 105 6.112 -14.934 -4.768 797 H GLU 106 H GLU 106 2.947 -13.517 -6.776 798 HA GLU 106 HA GLU 106 2.816 -10.861 -6.125 799 1HB GLU 106 1HB GLU 106 0.839 -13.074 -5.606 800 2HB GLU 106 2HB GLU 106 0.469 -11.385 -5.289 801 1HG GLU 106 1HG GLU 106 0.801 -10.838 -7.616 802 2HG GLU 106 2HG GLU 106 1.279 -12.501 -7.963 803 H CYS 107 H CYS 107 1.913 -13.382 -3.768 804 HA CYS 107 HA CYS 107 1.899 -11.756 -1.531 805 1HB CYS 107 1HB CYS 107 2.524 -14.705 -1.723 806 2HB CYS 107 2HB CYS 107 2.182 -13.857 -0.219 807 H ASN 108 H ASN 108 4.608 -12.825 -3.312 808 HA ASN 108 HA ASN 108 6.459 -12.573 -1.089 809 1HB ASN 108 1HB ASN 108 6.670 -14.218 -3.073 810 2HB ASN 108 2HB ASN 108 7.256 -12.826 -3.979 811 1HD2 ASN 108 1HD2 ASN 108 8.687 -15.223 -3.328 812 2HD2 ASN 108 2HD2 ASN 108 10.053 -14.755 -2.380 813 H ILE 109 H ILE 109 5.428 -10.732 -3.899 814 HA ILE 109 HA ILE 109 7.461 -8.751 -3.761 815 HB ILE 109 HB ILE 109 4.709 -8.589 -4.995 816 1HG1 ILE 109 1HG1 ILE 109 7.368 -9.073 -6.342 817 2HG1 ILE 109 2HG1 ILE 109 6.265 -10.362 -5.882 818 1HG2 ILE 109 1HG2 ILE 109 5.568 -6.372 -4.590 819 2HG2 ILE 109 2HG2 ILE 109 5.665 -6.726 -6.314 820 3HG2 ILE 109 3HG2 ILE 109 7.116 -6.802 -5.315 821 1HD1 ILE 109 1HD1 ILE 109 6.031 -9.831 -8.223 822 2HD1 ILE 109 2HD1 ILE 109 5.694 -8.145 -7.831 823 3HD1 ILE 109 3HD1 ILE 109 4.558 -9.408 -7.354 824 H GLY 110 H GLY 110 4.017 -8.671 -2.816 825 1HA GLY 110 1HA GLY 110 4.092 -6.122 -1.642 826 2HA GLY 110 2HA GLY 110 2.897 -7.364 -1.302 827 H ASN 111 H ASN 111 4.542 -9.335 -0.191 828 HA ASN 111 HA ASN 111 4.608 -8.642 2.474 829 1HB ASN 111 1HB ASN 111 4.703 -10.953 1.801 830 2HB ASN 111 2HB ASN 111 6.255 -10.707 1.005 831 1HD2 ASN 111 1HD2 ASN 111 4.633 -10.659 4.123 832 2HD2 ASN 111 2HD2 ASN 111 6.020 -11.068 5.059 833 H LYS 112 H LYS 112 7.011 -8.099 0.014 834 HA LYS 112 HA LYS 112 9.026 -7.258 1.926 835 1HB LYS 112 1HB LYS 112 8.962 -7.358 -1.090 836 2HB LYS 112 2HB LYS 112 10.322 -6.714 -0.180 837 1HG LYS 112 1HG LYS 112 9.284 -9.496 0.240 838 2HG LYS 112 2HG LYS 112 10.509 -9.104 -0.969 839 1HD LYS 112 1HD LYS 112 11.949 -8.191 0.776 840 2HD LYS 112 2HD LYS 112 10.722 -8.557 1.991 841 1HE LYS 112 1HE LYS 112 12.467 -10.256 1.982 842 2HE LYS 112 2HE LYS 112 10.923 -10.940 1.476 843 1HZ LYS 112 1HZ LYS 112 13.123 -10.117 -0.341 844 2HZ LYS 112 2HZ LYS 112 11.644 -10.781 -0.822 845 3HZ LYS 112 3HZ LYS 112 12.734 -11.708 0.078 846 H TYR 113 H TYR 113 6.570 -5.864 -0.074 847 HA TYR 113 HA TYR 113 7.666 -3.187 0.067 848 1HB TYR 113 1HB TYR 113 6.328 -4.208 -1.891 849 2HB TYR 113 2HB TYR 113 4.906 -3.881 -0.902 850 HD1 TYR 113 1HD TYR 113 4.079 -1.652 -0.631 851 HD2 TYR 113 2HD TYR 113 7.723 -2.343 -2.714 852 HE1 TYR 113 1HE TYR 113 4.045 0.667 -1.448 853 HE2 TYR 113 2HE TYR 113 7.700 -0.026 -3.535 854 HH TYR 113 HH TYR 113 6.065 1.772 -3.934 855 H THR 114 H THR 114 4.499 -4.561 1.007 856 HA THR 114 HA THR 114 3.581 -2.477 2.532 857 HB THR 114 HB THR 114 2.251 -4.501 1.956 858 HG1 THR 114 1HG THR 114 1.000 -3.714 3.459 859 1HG2 THR 114 1HG2 THR 114 3.624 -5.756 4.335 860 2HG2 THR 114 2HG2 THR 114 3.950 -6.177 2.655 861 3HG2 THR 114 3HG2 THR 114 2.356 -6.475 3.343 862 H ASP 115 H ASP 115 5.651 -5.152 3.590 863 HA ASP 115 HA ASP 115 5.825 -4.778 6.276 864 1HB ASP 115 1HB ASP 115 7.054 -6.514 5.035 865 2HB ASP 115 2HB ASP 115 8.155 -5.285 4.413 866 H CYS 116 H CYS 116 7.396 -2.831 3.792 867 HA CYS 116 HA CYS 116 8.876 -1.263 5.690 868 1HB CYS 116 1HB CYS 116 10.073 -1.278 3.766 869 2HB CYS 116 2HB CYS 116 8.642 -1.425 2.749 870 H TYR 117 H TYR 117 6.104 -0.615 3.536 871 HA TYR 117 HA TYR 117 5.730 2.057 4.220 872 1HB TYR 117 1HB TYR 117 4.329 0.087 2.720 873 2HB TYR 117 2HB TYR 117 3.171 0.876 3.787 874 HD1 TYR 117 1HD TYR 117 2.966 3.392 3.702 875 HD2 TYR 117 2HD TYR 117 5.148 1.178 0.798 876 HE1 TYR 117 1HE TYR 117 2.847 5.305 2.163 877 HE2 TYR 117 2HE TYR 117 5.034 3.086 -0.750 878 HH TYR 117 HH TYR 117 3.628 5.071 -1.126 879 H ILE 118 H ILE 118 4.564 -0.859 5.823 880 HA ILE 118 HA ILE 118 2.955 0.579 7.723 881 HB ILE 118 HB ILE 118 3.906 -2.287 7.829 882 1HG1 ILE 118 1HG1 ILE 118 1.295 -1.150 6.800 883 2HG1 ILE 118 2HG1 ILE 118 2.603 -1.753 5.786 884 1HG2 ILE 118 1HG2 ILE 118 1.665 -0.886 9.281 885 2HG2 ILE 118 2HG2 ILE 118 3.173 -1.458 9.994 886 3HG2 ILE 118 3HG2 ILE 118 2.007 -2.615 9.350 887 1HD1 ILE 118 1HD1 ILE 118 0.987 -3.363 7.745 888 2HD1 ILE 118 2HD1 ILE 118 2.321 -3.976 6.770 889 3HD1 ILE 118 3HD1 ILE 118 0.850 -3.399 5.987 890 H GLU 119 H GLU 119 6.256 -0.318 7.451 891 HA GLU 119 HA GLU 119 6.868 -0.365 10.233 892 1HB GLU 119 1HB GLU 119 8.277 -1.496 8.575 893 2HB GLU 119 2HB GLU 119 8.683 0.055 7.852 894 1HG GLU 119 1HG GLU 119 9.819 0.739 9.870 895 2HG GLU 119 2HG GLU 119 9.340 -0.754 10.675 896 H LYS 120 H LYS 120 7.576 2.055 7.692 897 HA LYS 120 HA LYS 120 8.296 3.988 9.726 898 1HB LYS 120 1HB LYS 120 8.179 4.381 6.741 899 2HB LYS 120 2HB LYS 120 9.025 5.381 7.914 900 1HG LYS 120 1HG LYS 120 10.841 4.156 7.613 901 2HG LYS 120 2HG LYS 120 9.980 2.749 8.244 902 1HD LYS 120 1HD LYS 120 9.028 2.509 5.880 903 2HD LYS 120 2HD LYS 120 10.299 3.633 5.392 904 1HE LYS 120 1HE LYS 120 10.603 0.907 6.632 905 2HE LYS 120 2HE LYS 120 11.145 1.443 5.040 906 1HZ LYS 120 1HZ LYS 120 12.708 2.947 6.148 907 2HZ LYS 120 2HZ LYS 120 12.995 1.332 6.560 908 3HZ LYS 120 3HZ LYS 120 12.217 2.357 7.656 909 H LEU 121 H LEU 121 5.771 3.656 7.235 910 HA LEU 121 HA LEU 121 4.495 6.076 8.280 911 1HB LEU 121 1HB LEU 121 4.894 5.921 5.855 912 2HB LEU 121 2HB LEU 121 3.869 4.500 5.790 913 HG LEU 121 HG LEU 121 1.941 5.843 6.479 914 1HD1 LEU 121 1HD1 LEU 121 3.874 8.154 6.378 915 2HD1 LEU 121 2HD1 LEU 121 3.057 7.527 7.811 916 3HD1 LEU 121 3HD1 LEU 121 2.123 8.296 6.528 917 1HD2 LEU 121 1HD2 LEU 121 3.450 6.935 4.109 918 2HD2 LEU 121 2HD2 LEU 121 1.731 7.175 4.418 919 3HD2 LEU 121 3HD2 LEU 121 2.353 5.553 4.117 920 H PHE 122 H PHE 122 4.218 2.723 8.627 921 HA PHE 122 HA PHE 122 2.704 1.446 9.752 922 1HB PHE 122 1HB PHE 122 2.081 2.736 11.490 923 2HB PHE 122 2HB PHE 122 1.904 4.170 10.491 924 HD1 PHE 122 1HD PHE 122 0.201 1.004 11.419 925 HD2 PHE 122 2HD PHE 122 -0.207 4.989 9.983 926 HE1 PHE 122 1HE PHE 122 -2.239 0.813 11.596 927 HE2 PHE 122 2HE PHE 122 -2.654 4.808 10.161 928 HZ PHE 122 HZ PHE 122 -3.677 2.717 10.970 929 H SER 123 H SER 123 1.746 3.515 7.174 930 HA SER 123 HA SER 123 0.162 1.456 5.995 931 1HB SER 123 1HB SER 123 -1.236 3.917 7.060 932 2HB SER 123 2HB SER 123 -1.935 2.861 5.833 933 HG SER 123 HG SER 123 -2.059 2.560 8.425 934 1H4 TSD 124 1H4 TSP 124 -1.175 -1.822 -0.043 935 2H4 TSD 124 2H4 TSP 124 -0.317 -1.486 -1.529 936 3H4 TSD 124 3H4 TSP 124 -1.672 -0.487 -1.057 937 1H5 TSD 124 1H5 TSP 124 2.128 -1.501 0.104 938 2H5 TSD 124 2H5 TSP 124 1.372 -1.512 1.680 939 3H5 TSD 124 3H5 TSP 124 2.458 -0.214 1.241 940 1H6 TSD 124 1H6 TSP 124 -1.607 1.069 1.275 941 2H6 TSD 124 2H6 TSP 124 -0.122 1.855 1.758 942 3H6 TSD 124 3H6 TSP 124 -0.554 0.307 2.444 943 1D3 TSD 124 1D3 TSP 124 1.617 1.961 -0.403 944 2D3 TSD 124 2D3 TSP 124 1.506 0.807 -1.717 945 1D2 TSD 124 1D2 TSP 124 -0.676 2.746 -0.888 946 2D2 TSD 124 2D2 TSP 124 -0.798 1.577 -2.200 Start of MODEL 11 1 HA ILE 1 HA ILE 1 -0.729 14.167 10.875 2 HB ILE 1 HB ILE 1 -0.793 12.652 8.930 3 1HG1 ILE 1 1HG1 ILE 1 1.249 11.012 10.450 4 2HG1 ILE 1 2HG1 ILE 1 -0.432 10.541 10.218 5 1HG2 ILE 1 1HG2 ILE 1 0.864 14.405 8.982 6 2HG2 ILE 1 2HG2 ILE 1 1.565 12.965 8.247 7 3HG2 ILE 1 3HG2 ILE 1 1.962 13.386 9.911 8 1HD1 ILE 1 1HD1 ILE 1 -0.074 10.489 7.801 9 2HD1 ILE 1 2HD1 ILE 1 1.018 9.396 8.652 10 3HD1 ILE 1 3HD1 ILE 1 1.613 10.942 8.045 11 H ASP 2 H ASP 2 -2.897 13.815 10.533 12 HA ASP 2 HA ASP 2 -4.253 12.187 12.401 13 1HB ASP 2 1HB ASP 2 -5.367 13.476 9.899 14 2HB ASP 2 2HB ASP 2 -6.294 12.921 11.290 15 H GLN 3 H GLN 3 -5.182 10.211 12.238 16 HA GLN 3 HA GLN 3 -4.263 8.463 10.176 17 1HB GLN 3 1HB GLN 3 -6.295 7.998 12.367 18 2HB GLN 3 2HB GLN 3 -5.595 6.748 11.346 19 1HG GLN 3 1HG GLN 3 -3.454 7.034 12.298 20 2HG GLN 3 2HG GLN 3 -3.927 8.536 13.090 21 1HE2 GLN 3 1HE2 GLN 3 -5.913 5.644 13.004 22 2HE2 GLN 3 2HE2 GLN 3 -5.800 5.291 14.688 23 H ASP 4 H ASP 4 -6.745 10.658 10.237 24 HA ASP 4 HA ASP 4 -8.799 9.195 8.916 25 1HB ASP 4 1HB ASP 4 -8.293 12.177 9.020 26 2HB ASP 4 2HB ASP 4 -9.777 11.417 8.454 27 H THR 5 H THR 5 -6.316 11.466 7.775 28 HA THR 5 HA THR 5 -7.004 11.442 5.062 29 HB THR 5 HB THR 5 -5.391 13.027 6.195 30 HG1 THR 5 1HG THR 5 -4.495 13.432 4.254 31 1HG2 THR 5 1HG2 THR 5 -3.042 12.403 6.262 32 2HG2 THR 5 2HG2 THR 5 -3.434 10.783 5.687 33 3HG2 THR 5 3HG2 THR 5 -3.985 11.310 7.276 34 H VAL 6 H VAL 6 -5.358 9.098 6.989 35 HA VAL 6 HA VAL 6 -4.240 7.707 4.700 36 HB VAL 6 HB VAL 6 -4.245 7.031 7.642 37 1HG1 VAL 6 1HG1 VAL 6 -2.622 5.275 7.075 38 2HG1 VAL 6 2HG1 VAL 6 -2.881 5.601 5.361 39 3HG1 VAL 6 3HG1 VAL 6 -4.200 4.973 6.349 40 1HG2 VAL 6 1HG2 VAL 6 -2.043 7.966 5.810 41 2HG2 VAL 6 2HG2 VAL 6 -1.877 7.588 7.524 42 3HG2 VAL 6 3HG2 VAL 6 -2.868 8.956 7.013 43 H VAL 7 H VAL 7 -6.363 6.674 7.371 44 HA VAL 7 HA VAL 7 -7.222 4.308 6.151 45 HB VAL 7 HB VAL 7 -8.655 5.942 8.245 46 1HG1 VAL 7 1HG1 VAL 7 -10.136 4.303 7.254 47 2HG1 VAL 7 2HG1 VAL 7 -9.684 3.793 8.881 48 3HG1 VAL 7 3HG1 VAL 7 -8.927 3.038 7.477 49 1HG2 VAL 7 1HG2 VAL 7 -7.537 4.484 9.859 50 2HG2 VAL 7 2HG2 VAL 7 -6.369 5.392 8.898 51 3HG2 VAL 7 3HG2 VAL 7 -6.669 3.691 8.544 52 H ALA 8 H ALA 8 -9.092 7.326 6.563 53 HA ALA 8 HA ALA 8 -11.329 6.553 5.118 54 1HB ALA 8 1HB ALA 8 -11.183 8.545 6.572 55 2HB ALA 8 2HB ALA 8 -11.915 8.878 5.004 56 3HB ALA 8 3HB ALA 8 -10.246 9.355 5.316 57 H LYS 9 H LYS 9 -8.231 7.638 3.901 58 HA LYS 9 HA LYS 9 -9.320 8.098 1.242 59 1HB LYS 9 1HB LYS 9 -6.629 8.456 2.499 60 2HB LYS 9 2HB LYS 9 -6.770 8.399 0.749 61 1HG LYS 9 1HG LYS 9 -6.771 10.691 1.577 62 2HG LYS 9 2HG LYS 9 -8.293 10.290 0.781 63 1HD LYS 9 1HD LYS 9 -9.327 9.915 2.978 64 2HD LYS 9 2HD LYS 9 -7.805 10.340 3.760 65 1HE LYS 9 1HE LYS 9 -7.925 12.577 2.794 66 2HE LYS 9 2HE LYS 9 -9.429 12.153 1.979 67 1HZ LYS 9 1HZ LYS 9 -9.028 12.212 4.922 68 2HZ LYS 9 2HZ LYS 9 -10.474 11.842 4.126 69 3HZ LYS 9 3HZ LYS 9 -9.824 13.399 4.016 70 H TYR 10 H TYR 10 -6.727 6.030 2.565 71 HA TYR 10 HA TYR 10 -6.277 4.478 0.344 72 1HB TYR 10 1HB TYR 10 -5.984 4.006 3.271 73 2HB TYR 10 2HB TYR 10 -5.816 2.626 2.191 74 HD1 TYR 10 1HD TYR 10 -4.466 3.791 -0.123 75 HD2 TYR 10 2HD TYR 10 -3.837 4.496 4.027 76 HE1 TYR 10 1HE TYR 10 -2.127 4.403 -0.585 77 HE2 TYR 10 2HE TYR 10 -1.501 5.116 3.576 78 HH TYR 10 HH TYR 10 -0.335 5.752 0.473 79 H MET 11 H MET 11 -9.002 4.432 2.459 80 HA MET 11 HA MET 11 -9.932 1.834 1.621 81 1HB MET 11 1HB MET 11 -10.377 2.912 3.877 82 2HB MET 11 2HB MET 11 -11.501 3.979 3.053 83 1HG MET 11 1HG MET 11 -11.728 0.987 2.961 84 2HG MET 11 2HG MET 11 -12.490 1.972 4.208 85 1HE MET 11 1HE MET 11 -14.852 0.975 3.618 86 2HE MET 11 2HE MET 11 -14.136 -0.037 2.365 87 3HE MET 11 3HE MET 11 -15.543 0.960 1.996 88 H GLU 12 H GLU 12 -11.301 5.111 1.325 89 HA GLU 12 HA GLU 12 -13.173 4.387 -0.671 90 1HB GLU 12 1HB GLU 12 -13.496 6.299 0.819 91 2HB GLU 12 2HB GLU 12 -12.111 7.108 0.100 92 1HG GLU 12 1HG GLU 12 -14.147 8.030 -0.788 93 2HG GLU 12 2HG GLU 12 -13.287 7.161 -2.057 94 H TYR 13 H TYR 13 -10.171 6.308 -0.892 95 HA TYR 13 HA TYR 13 -10.184 6.810 -3.605 96 1HB TYR 13 1HB TYR 13 -8.593 7.837 -2.052 97 2HB TYR 13 2HB TYR 13 -7.788 6.290 -1.832 98 HD1 TYR 13 1HD TYR 13 -8.689 8.716 -4.528 99 HD2 TYR 13 2HD TYR 13 -5.931 5.800 -3.120 100 HE1 TYR 13 1HE TYR 13 -7.191 9.231 -6.409 101 HE2 TYR 13 2HE TYR 13 -4.426 6.308 -4.994 102 HH TYR 13 HH TYR 13 -4.557 7.267 -7.253 103 H LEU 14 H LEU 14 -9.595 3.811 -1.985 104 HA LEU 14 HA LEU 14 -9.161 2.549 -4.590 105 1HB LEU 14 1HB LEU 14 -7.467 2.061 -2.142 106 2HB LEU 14 2HB LEU 14 -7.440 1.057 -3.577 107 HG LEU 14 HG LEU 14 -6.668 3.975 -3.477 108 1HD1 LEU 14 1HD1 LEU 14 -5.047 2.597 -2.322 109 2HD1 LEU 14 2HD1 LEU 14 -4.390 3.136 -3.868 110 3HD1 LEU 14 3HD1 LEU 14 -4.984 1.485 -3.689 111 1HD2 LEU 14 1HD2 LEU 14 -7.530 3.486 -5.644 112 2HD2 LEU 14 2HD2 LEU 14 -6.657 1.958 -5.712 113 3HD2 LEU 14 3HD2 LEU 14 -5.771 3.481 -5.766 114 H MET 15 H MET 15 -11.569 2.334 -3.811 115 HA MET 15 HA MET 15 -11.806 -0.134 -2.233 116 1HB MET 15 1HB MET 15 -13.047 1.600 -1.186 117 2HB MET 15 2HB MET 15 -13.762 2.104 -2.709 118 1HG MET 15 1HG MET 15 -15.035 0.057 -2.825 119 2HG MET 15 2HG MET 15 -14.279 -0.523 -1.341 120 1HE MET 15 1HE MET 15 -17.159 3.083 -1.547 121 2HE MET 15 2HE MET 15 -16.700 2.103 -2.941 122 3HE MET 15 3HE MET 15 -15.507 3.144 -2.163 123 HA PRO 16 HA PRO 16 -14.735 -0.740 -6.124 124 1HB PRO 16 1HB PRO 16 -13.384 1.084 -8.032 125 2HB PRO 16 2HB PRO 16 -15.106 0.758 -7.814 126 1HG PRO 16 1HG PRO 16 -14.018 3.056 -6.993 127 2HG PRO 16 2HG PRO 16 -15.305 2.262 -6.067 128 1HD PRO 16 1HD PRO 16 -12.365 2.348 -5.540 129 2HD PRO 16 2HD PRO 16 -13.720 2.413 -4.397 130 H ASP 17 H ASP 17 -11.351 -0.269 -5.923 131 HA ASP 17 HA ASP 17 -10.775 -2.130 -8.095 132 1HB ASP 17 1HB ASP 17 -8.877 -0.607 -6.296 133 2HB ASP 17 2HB ASP 17 -8.430 -1.542 -7.722 134 H ILE 18 H ILE 18 -11.116 -2.052 -4.684 135 HA ILE 18 HA ILE 18 -9.483 -4.375 -4.172 136 HB ILE 18 HB ILE 18 -11.389 -2.797 -2.455 137 1HG1 ILE 18 1HG1 ILE 18 -8.392 -3.212 -2.399 138 2HG1 ILE 18 2HG1 ILE 18 -9.232 -1.751 -2.905 139 1HG2 ILE 18 1HG2 ILE 18 -9.864 -5.297 -1.732 140 2HG2 ILE 18 2HG2 ILE 18 -11.612 -5.071 -1.714 141 3HG2 ILE 18 3HG2 ILE 18 -10.600 -4.209 -0.556 142 1HD1 ILE 18 1HD1 ILE 18 -9.224 -2.914 -0.130 143 2HD1 ILE 18 2HD1 ILE 18 -10.069 -1.450 -0.632 144 3HD1 ILE 18 3HD1 ILE 18 -8.307 -1.511 -0.677 145 H MET 19 H MET 19 -12.905 -3.690 -4.631 146 HA MET 19 HA MET 19 -14.129 -5.937 -3.708 147 1HB MET 19 1HB MET 19 -14.775 -4.552 -6.312 148 2HB MET 19 2HB MET 19 -15.861 -5.588 -5.396 149 1HG MET 19 1HG MET 19 -15.791 -4.002 -3.533 150 2HG MET 19 2HG MET 19 -14.724 -2.959 -4.474 151 1HE MET 19 1HE MET 19 -18.133 -1.000 -4.413 152 2HE MET 19 2HE MET 19 -16.398 -0.887 -4.114 153 3HE MET 19 3HE MET 19 -17.395 -1.957 -3.128 154 HA PRO 20 HA PRO 20 -13.294 -8.167 -8.077 155 1HB PRO 20 1HB PRO 20 -10.526 -7.088 -8.356 156 2HB PRO 20 2HB PRO 20 -11.692 -7.536 -9.606 157 1HG PRO 20 1HG PRO 20 -11.258 -4.981 -9.024 158 2HG PRO 20 2HG PRO 20 -12.895 -5.563 -9.377 159 1HD PRO 20 1HD PRO 20 -11.661 -4.845 -6.761 160 2HD PRO 20 2HD PRO 20 -13.332 -4.638 -7.316 161 H CYS 21 H CYS 21 -10.366 -7.454 -6.139 162 HA CYS 21 HA CYS 21 -9.716 -10.280 -6.020 163 1HB CYS 21 1HB CYS 21 -8.344 -7.765 -5.147 164 2HB CYS 21 2HB CYS 21 -7.796 -9.331 -4.558 165 H ALA 22 H ALA 22 -11.504 -8.088 -4.162 166 HA ALA 22 HA ALA 22 -11.020 -9.110 -1.570 167 1HB ALA 22 1HB ALA 22 -13.081 -7.973 -0.929 168 2HB ALA 22 2HB ALA 22 -13.480 -7.727 -2.629 169 3HB ALA 22 3HB ALA 22 -12.065 -6.938 -1.932 170 H ASP 23 H ASP 23 -12.432 -10.560 -4.222 171 HA ASP 23 HA ASP 23 -14.396 -12.120 -2.783 172 1HB ASP 23 1HB ASP 23 -14.829 -11.511 -5.110 173 2HB ASP 23 2HB ASP 23 -13.366 -12.350 -5.620 174 H GLU 24 H GLU 24 -11.353 -12.796 -4.494 175 HA GLU 24 HA GLU 24 -11.215 -15.469 -3.388 176 1HB GLU 24 1HB GLU 24 -10.269 -14.251 -5.695 177 2HB GLU 24 2HB GLU 24 -8.820 -14.507 -4.734 178 1HG GLU 24 1HG GLU 24 -10.822 -16.632 -5.466 179 2HG GLU 24 2HG GLU 24 -9.268 -16.365 -6.259 180 H LEU 25 H LEU 25 -10.102 -12.353 -2.597 181 HA LEU 25 HA LEU 25 -8.261 -13.455 -0.573 182 1HB LEU 25 1HB LEU 25 -8.021 -10.851 -2.044 183 2HB LEU 25 2HB LEU 25 -6.915 -11.427 -0.815 184 HG LEU 25 HG LEU 25 -7.359 -12.762 -3.489 185 1HD1 LEU 25 1HD1 LEU 25 -6.298 -10.571 -3.727 186 2HD1 LEU 25 2HD1 LEU 25 -5.174 -11.880 -4.093 187 3HD1 LEU 25 3HD1 LEU 25 -5.074 -11.037 -2.547 188 1HD2 LEU 25 1HD2 LEU 25 -5.380 -14.060 -2.910 189 2HD2 LEU 25 2HD2 LEU 25 -6.658 -14.301 -1.720 190 3HD2 LEU 25 3HD2 LEU 25 -5.293 -13.249 -1.346 191 H HIS 26 H HIS 26 -10.980 -13.007 -0.144 192 HA HIS 26 HA HIS 26 -11.631 -10.511 0.959 193 1HB HIS 26 1HB HIS 26 -13.212 -12.394 0.304 194 2HB HIS 26 2HB HIS 26 -12.814 -13.138 1.849 195 HD1 HIS 26 1HD HIS 26 -14.846 -10.454 0.315 196 HD2 HIS 26 2HD HIS 26 -13.783 -11.717 4.129 197 HE1 HIS 26 1HE HIS 26 -16.426 -9.277 1.876 198 HE2 HIS 26 2HE HIS 26 -15.731 -10.014 4.183 199 H ILE 27 H ILE 27 -9.426 -10.346 2.099 200 HA ILE 27 HA ILE 27 -9.907 -10.584 4.923 201 HB ILE 27 HB ILE 27 -7.424 -11.561 5.051 202 1HG1 ILE 27 1HG1 ILE 27 -7.262 -13.433 3.388 203 2HG1 ILE 27 2HG1 ILE 27 -8.602 -12.713 2.527 204 1HG2 ILE 27 1HG2 ILE 27 -9.872 -13.285 4.709 205 2HG2 ILE 27 2HG2 ILE 27 -9.403 -12.450 6.190 206 3HG2 ILE 27 3HG2 ILE 27 -8.385 -13.735 5.542 207 1HD1 ILE 27 1HD1 ILE 27 -6.472 -12.149 1.506 208 2HD1 ILE 27 2HD1 ILE 27 -5.937 -11.418 3.019 209 3HD1 ILE 27 3HD1 ILE 27 -7.285 -10.712 2.126 210 H SER 28 H SER 28 -9.850 -8.267 3.706 211 HA SER 28 HA SER 28 -7.412 -7.061 3.118 212 1HB SER 28 1HB SER 28 -8.627 -4.903 3.799 213 2HB SER 28 2HB SER 28 -9.349 -5.863 2.507 214 HG SER 28 HG SER 28 -10.114 -6.210 5.203 215 H GLU 29 H GLU 29 -6.833 -4.957 4.620 216 HA GLU 29 HA GLU 29 -5.477 -6.082 6.829 217 1HB GLU 29 1HB GLU 29 -5.201 -3.801 5.350 218 2HB GLU 29 2HB GLU 29 -5.811 -3.165 6.873 219 1HG GLU 29 1HG GLU 29 -4.006 -4.221 8.080 220 2HG GLU 29 2HG GLU 29 -3.423 -4.976 6.594 221 H ASP 30 H ASP 30 -8.617 -5.814 6.659 222 HA ASP 30 HA ASP 30 -9.008 -4.768 9.375 223 1HB ASP 30 1HB ASP 30 -10.409 -3.707 7.671 224 2HB ASP 30 2HB ASP 30 -11.021 -5.280 7.171 225 H ILE 31 H ILE 31 -9.240 -7.590 7.357 226 HA ILE 31 HA ILE 31 -10.410 -9.141 9.568 227 HB ILE 31 HB ILE 31 -10.121 -9.925 6.663 228 1HG1 ILE 31 1HG1 ILE 31 -11.738 -8.103 6.953 229 2HG1 ILE 31 2HG1 ILE 31 -12.550 -9.603 6.521 230 1HG2 ILE 31 1HG2 ILE 31 -11.550 -11.279 8.946 231 2HG2 ILE 31 2HG2 ILE 31 -10.098 -11.852 8.126 232 3HG2 ILE 31 3HG2 ILE 31 -11.631 -11.777 7.256 233 1HD1 ILE 31 1HD1 ILE 31 -13.172 -9.928 8.865 234 2HD1 ILE 31 2HD1 ILE 31 -13.786 -8.406 8.221 235 3HD1 ILE 31 3HD1 ILE 31 -12.376 -8.410 9.279 236 H ALA 32 H ALA 32 -7.737 -9.059 7.263 237 HA ALA 32 HA ALA 32 -6.439 -11.423 8.115 238 1HB ALA 32 1HB ALA 32 -4.453 -10.448 6.968 239 2HB ALA 32 2HB ALA 32 -5.394 -8.980 6.698 240 3HB ALA 32 3HB ALA 32 -5.910 -10.504 5.976 241 H THR 33 H THR 33 -7.056 -8.752 9.883 242 HA THR 33 HA THR 33 -4.560 -9.002 11.421 243 HB THR 33 HB THR 33 -4.781 -6.791 10.366 244 HG1 THR 33 1HG THR 33 -5.139 -6.712 13.190 245 1HG2 THR 33 1HG2 THR 33 -7.234 -6.662 10.309 246 2HG2 THR 33 2HG2 THR 33 -6.524 -5.240 11.076 247 3HG2 THR 33 3HG2 THR 33 -7.262 -6.500 12.065 248 H ASN 34 H ASN 34 -6.437 -10.819 12.006 249 HA ASN 34 HA ASN 34 -8.472 -10.240 13.760 250 1HB ASN 34 1HB ASN 34 -7.760 -12.538 14.828 251 2HB ASN 34 2HB ASN 34 -8.412 -12.472 13.195 252 1HD2 ASN 34 1HD2 ASN 34 -5.187 -11.373 13.969 253 2HD2 ASN 34 2HD2 ASN 34 -4.351 -12.652 13.165 254 H ILE 35 H ILE 35 -8.174 -8.676 15.252 255 HA ILE 35 HA ILE 35 -7.542 -7.666 17.188 256 HB ILE 35 HB ILE 35 -6.257 -10.254 18.037 257 1HG1 ILE 35 1HG1 ILE 35 -8.472 -10.803 17.141 258 2HG1 ILE 35 2HG1 ILE 35 -8.452 -10.968 18.893 259 1HG2 ILE 35 1HG2 ILE 35 -7.649 -8.051 19.556 260 2HG2 ILE 35 2HG2 ILE 35 -5.913 -8.358 19.506 261 3HG2 ILE 35 3HG2 ILE 35 -6.992 -9.526 20.268 262 1HD1 ILE 35 1HD1 ILE 35 -9.565 -8.797 19.097 263 2HD1 ILE 35 2HD1 ILE 35 -10.510 -9.943 18.145 264 3HD1 ILE 35 3HD1 ILE 35 -9.603 -8.662 17.339 265 H GLN 36 H GLN 36 -5.977 -6.786 15.388 266 HA GLN 36 HA GLN 36 -3.464 -6.362 16.608 267 1HB GLN 36 1HB GLN 36 -3.655 -8.374 14.441 268 2HB GLN 36 2HB GLN 36 -2.382 -7.176 14.254 269 1HG GLN 36 1HG GLN 36 -2.767 -9.029 16.593 270 2HG GLN 36 2HG GLN 36 -1.528 -9.145 15.347 271 1HE2 GLN 36 1HE2 GLN 36 -2.606 -7.436 18.172 272 2HE2 GLN 36 2HE2 GLN 36 -1.135 -6.576 18.464 273 H ALA 37 H ALA 37 -2.037 -5.101 14.893 274 HA ALA 37 HA ALA 37 -3.800 -3.041 13.870 275 1HB ALA 37 1HB ALA 37 -0.801 -3.086 13.953 276 2HB ALA 37 2HB ALA 37 -1.844 -2.508 15.251 277 3HB ALA 37 3HB ALA 37 -1.841 -1.686 13.690 278 H ALA 38 H ALA 38 -0.859 -4.534 12.477 279 HA ALA 38 HA ALA 38 -2.223 -5.086 9.982 280 1HB ALA 38 1HB ALA 38 -1.651 -2.670 9.844 281 2HB ALA 38 2HB ALA 38 -0.888 -3.659 8.597 282 3HB ALA 38 3HB ALA 38 0.051 -3.116 9.987 283 H LYS 39 H LYS 39 0.421 -4.933 8.546 284 HA LYS 39 HA LYS 39 1.252 -7.536 8.652 285 1HB LYS 39 1HB LYS 39 2.546 -6.798 6.993 286 2HB LYS 39 2HB LYS 39 2.155 -5.145 7.431 287 1HG LYS 39 1HG LYS 39 4.370 -6.632 8.798 288 2HG LYS 39 2HG LYS 39 4.616 -5.812 7.259 289 1HD LYS 39 1HD LYS 39 3.949 -3.701 8.227 290 2HD LYS 39 2HD LYS 39 3.549 -4.494 9.753 291 1HE LYS 39 1HE LYS 39 5.906 -5.147 10.008 292 2HE LYS 39 2HE LYS 39 6.288 -4.308 8.504 293 1HZ LYS 39 1HZ LYS 39 6.797 -2.946 10.430 294 2HZ LYS 39 2HZ LYS 39 5.194 -3.043 10.958 295 3HZ LYS 39 3HZ LYS 39 5.562 -2.238 9.517 296 H ASN 40 H ASN 40 1.700 -5.153 11.001 297 HA ASN 40 HA ASN 40 4.043 -6.131 12.274 298 1HB ASN 40 1HB ASN 40 3.310 -4.702 14.180 299 2HB ASN 40 2HB ASN 40 3.366 -3.841 12.642 300 1HD2 ASN 40 1HD2 ASN 40 1.489 -3.133 11.708 301 2HD2 ASN 40 2HD2 ASN 40 -0.026 -3.120 12.539 302 H GLY 41 H GLY 41 2.121 -8.200 11.696 303 1HA GLY 41 1HA GLY 41 2.146 -10.201 13.136 304 2HA GLY 41 2HA GLY 41 1.619 -9.158 14.444 305 H ALA 42 H ALA 42 0.200 -8.555 11.380 306 HA ALA 42 HA ALA 42 -2.388 -9.518 12.308 307 1HB ALA 42 1HB ALA 42 -1.558 -8.073 9.794 308 2HB ALA 42 2HB ALA 42 -2.355 -7.375 11.202 309 3HB ALA 42 3HB ALA 42 -3.216 -8.527 10.181 310 H ASP 43 H ASP 43 -0.211 -10.003 9.583 311 HA ASP 43 HA ASP 43 -0.563 -12.794 9.486 312 1HB ASP 43 1HB ASP 43 -2.784 -11.909 8.545 313 2HB ASP 43 2HB ASP 43 -1.847 -11.374 7.154 314 H MET 44 H MET 44 0.083 -9.893 7.557 315 HA MET 44 HA MET 44 1.838 -9.255 6.250 316 1HB MET 44 1HB MET 44 3.097 -9.821 8.327 317 2HB MET 44 2HB MET 44 3.350 -11.442 7.695 318 1HG MET 44 1HG MET 44 4.581 -10.507 5.800 319 2HG MET 44 2HG MET 44 4.335 -8.886 6.449 320 1HE MET 44 1HE MET 44 8.181 -9.715 6.976 321 2HE MET 44 2HE MET 44 7.041 -8.606 6.213 322 3HE MET 44 3HE MET 44 7.151 -10.276 5.657 323 H SER 45 H SER 45 0.444 -12.275 6.026 324 HA SER 45 HA SER 45 2.078 -13.195 3.802 325 1HB SER 45 1HB SER 45 1.333 -14.830 5.490 326 2HB SER 45 2HB SER 45 -0.345 -14.479 5.077 327 HG SER 45 HG SER 45 1.631 -15.758 3.526 328 H GLN 46 H GLN 46 -1.405 -12.582 4.369 329 HA GLN 46 HA GLN 46 -1.866 -12.515 1.509 330 1HB GLN 46 1HB GLN 46 -3.660 -12.469 3.902 331 2HB GLN 46 2HB GLN 46 -4.274 -12.095 2.297 332 1HG GLN 46 1HG GLN 46 -2.981 -14.657 3.192 333 2HG GLN 46 2HG GLN 46 -4.670 -14.400 2.770 334 1HE2 GLN 46 1HE2 GLN 46 -2.730 -16.267 1.646 335 2HE2 GLN 46 2HE2 GLN 46 -2.652 -15.917 -0.045 336 H LEU 47 H LEU 47 -1.589 -10.217 4.127 337 HA LEU 47 HA LEU 47 -2.965 -8.045 3.153 338 1HB LEU 47 1HB LEU 47 -1.573 -8.335 5.312 339 2HB LEU 47 2HB LEU 47 -0.215 -7.788 4.353 340 HG LEU 47 HG LEU 47 -2.729 -6.176 4.815 341 1HD1 LEU 47 1HD1 LEU 47 -0.031 -6.021 6.154 342 2HD1 LEU 47 2HD1 LEU 47 -1.551 -6.507 6.906 343 3HD1 LEU 47 3HD1 LEU 47 -1.335 -4.849 6.346 344 1HD2 LEU 47 1HD2 LEU 47 -1.265 -4.305 4.039 345 2HD2 LEU 47 2HD2 LEU 47 -1.652 -5.490 2.792 346 3HD2 LEU 47 3HD2 LEU 47 -0.067 -5.510 3.566 347 H GLY 48 H GLY 48 0.335 -9.025 2.328 348 1HA GLY 48 1HA GLY 48 0.649 -6.908 0.424 349 2HA GLY 48 2HA GLY 48 1.724 -8.280 0.647 350 H CYS 49 H CYS 49 -1.700 -8.658 0.082 351 HA CYS 49 HA CYS 49 -1.152 -9.453 -2.667 352 1HB CYS 49 1HB CYS 49 -1.669 -11.242 -0.617 353 2HB CYS 49 2HB CYS 49 -3.200 -11.084 -1.468 354 H LEU 50 H LEU 50 -4.059 -9.520 -0.601 355 HA LEU 50 HA LEU 50 -5.849 -8.669 -2.542 356 1HB LEU 50 1HB LEU 50 -6.585 -9.505 -0.363 357 2HB LEU 50 2HB LEU 50 -5.905 -8.099 0.430 358 HG LEU 50 HG LEU 50 -7.511 -6.676 -0.871 359 1HD1 LEU 50 1HD1 LEU 50 -8.781 -9.323 -1.531 360 2HD1 LEU 50 2HD1 LEU 50 -7.945 -8.275 -2.675 361 3HD1 LEU 50 3HD1 LEU 50 -9.430 -7.724 -1.899 362 1HD2 LEU 50 1HD2 LEU 50 -9.528 -7.458 0.470 363 2HD2 LEU 50 2HD2 LEU 50 -8.068 -7.043 1.367 364 3HD2 LEU 50 3HD2 LEU 50 -8.477 -8.735 1.084 365 H LYS 51 H LYS 51 -3.955 -6.787 -0.232 366 HA LYS 51 HA LYS 51 -4.853 -4.258 -1.208 367 1HB LYS 51 1HB LYS 51 -3.891 -4.822 1.120 368 2HB LYS 51 2HB LYS 51 -2.315 -4.720 0.348 369 1HG LYS 51 1HG LYS 51 -2.703 -2.418 -0.246 370 2HG LYS 51 2HG LYS 51 -4.352 -2.502 0.377 371 1HD LYS 51 1HD LYS 51 -3.385 -3.047 2.621 372 2HD LYS 51 2HD LYS 51 -1.787 -2.726 1.947 373 1HE LYS 51 1HE LYS 51 -2.643 -0.779 3.137 374 2HE LYS 51 2HE LYS 51 -2.463 -0.441 1.416 375 1HZ LYS 51 1HZ LYS 51 -4.549 0.418 2.294 376 2HZ LYS 51 2HZ LYS 51 -5.012 -1.138 2.773 377 3HZ LYS 51 3HZ LYS 51 -4.832 -0.777 1.130 378 H ALA 52 H ALA 52 -2.373 -6.544 -2.035 379 HA ALA 52 HA ALA 52 -0.757 -4.668 -3.533 380 1HB ALA 52 1HB ALA 52 0.219 -6.677 -2.496 381 2HB ALA 52 2HB ALA 52 0.503 -6.620 -4.235 382 3HB ALA 52 3HB ALA 52 -0.738 -7.686 -3.579 383 H CYS 53 H CYS 53 -3.613 -6.408 -4.039 384 HA CYS 53 HA CYS 53 -3.444 -6.812 -6.845 385 1HB CYS 53 1HB CYS 53 -4.993 -8.114 -5.516 386 2HB CYS 53 2HB CYS 53 -5.810 -6.655 -4.968 387 H VAL 54 H VAL 54 -4.494 -4.203 -4.776 388 HA VAL 54 HA VAL 54 -5.824 -2.671 -6.756 389 HB VAL 54 HB VAL 54 -4.474 -1.586 -4.287 390 1HG1 VAL 54 1HG1 VAL 54 -5.305 0.064 -5.902 391 2HG1 VAL 54 2HG1 VAL 54 -6.206 0.110 -4.388 392 3HG1 VAL 54 3HG1 VAL 54 -6.909 -0.663 -5.808 393 1HG2 VAL 54 1HG2 VAL 54 -5.831 -3.495 -3.638 394 2HG2 VAL 54 2HG2 VAL 54 -7.205 -2.844 -4.530 395 3HG2 VAL 54 3HG2 VAL 54 -6.593 -1.993 -3.112 396 H MET 55 H MET 55 -2.494 -3.120 -5.922 397 HA MET 55 HA MET 55 -1.404 -0.736 -6.911 398 1HB MET 55 1HB MET 55 -0.163 -3.492 -6.882 399 2HB MET 55 2HB MET 55 0.707 -1.977 -7.091 400 1HG MET 55 1HG MET 55 -0.285 -1.324 -4.820 401 2HG MET 55 2HG MET 55 -0.654 -3.039 -4.646 402 1HE MET 55 1HE MET 55 1.218 -4.951 -4.741 403 2HE MET 55 2HE MET 55 2.944 -4.621 -4.881 404 3HE MET 55 3HE MET 55 1.872 -4.294 -6.242 405 H LYS 56 H LYS 56 -2.032 -3.837 -8.536 406 HA LYS 56 HA LYS 56 -1.067 -2.879 -11.063 407 1HB LYS 56 1HB LYS 56 -2.613 -5.043 -11.708 408 2HB LYS 56 2HB LYS 56 -0.914 -5.109 -11.278 409 1HG LYS 56 1HG LYS 56 -1.435 -5.685 -9.023 410 2HG LYS 56 2HG LYS 56 -3.152 -5.417 -9.303 411 1HD LYS 56 1HD LYS 56 -3.109 -7.244 -10.985 412 2HD LYS 56 2HD LYS 56 -1.429 -7.556 -10.542 413 1HE LYS 56 1HE LYS 56 -3.785 -7.685 -8.664 414 2HE LYS 56 2HE LYS 56 -3.002 -9.078 -9.413 415 1HZ LYS 56 1HZ LYS 56 -0.949 -8.482 -8.277 416 2HZ LYS 56 2HZ LYS 56 -2.201 -8.728 -7.167 417 3HZ LYS 56 3HZ LYS 56 -1.710 -7.155 -7.551 418 H ARG 57 H ARG 57 -3.961 -2.534 -9.332 419 HA ARG 57 HA ARG 57 -5.717 -2.260 -11.582 420 1HB ARG 57 1HB ARG 57 -6.030 -1.433 -8.691 421 2HB ARG 57 2HB ARG 57 -7.304 -1.316 -9.897 422 1HG ARG 57 1HG ARG 57 -5.954 -3.917 -9.253 423 2HG ARG 57 2HG ARG 57 -7.343 -3.323 -8.343 424 1HD ARG 57 1HD ARG 57 -8.252 -4.738 -9.977 425 2HD ARG 57 2HD ARG 57 -8.516 -3.109 -10.595 426 HE ARG 57 HE ARG 57 -6.154 -3.843 -11.711 427 1HH1 ARG 57 1HH1 ARG 57 -9.323 -5.288 -11.591 428 2HH1 ARG 57 2HH1 ARG 57 -9.162 -6.077 -13.125 429 1HH2 ARG 57 1HH2 ARG 57 -5.932 -4.879 -13.730 430 2HH2 ARG 57 2HH2 ARG 57 -7.235 -5.846 -14.340 431 H ILE 58 H ILE 58 -3.510 -0.217 -9.896 432 HA ILE 58 HA ILE 58 -4.582 2.146 -11.296 433 HB ILE 58 HB ILE 58 -3.357 3.510 -9.636 434 1HG1 ILE 58 1HG1 ILE 58 -2.907 0.886 -8.198 435 2HG1 ILE 58 2HG1 ILE 58 -1.659 1.762 -9.075 436 1HG2 ILE 58 1HG2 ILE 58 -5.320 1.532 -8.485 437 2HG2 ILE 58 2HG2 ILE 58 -5.711 3.039 -9.312 438 3HG2 ILE 58 3HG2 ILE 58 -4.880 3.077 -7.757 439 1HD1 ILE 58 1HD1 ILE 58 -3.167 2.787 -6.681 440 2HD1 ILE 58 2HD1 ILE 58 -1.888 3.639 -7.548 441 3HD1 ILE 58 3HD1 ILE 58 -1.521 2.151 -6.677 442 H GLU 59 H GLU 59 -2.728 0.053 -12.326 443 HA GLU 59 HA GLU 59 -0.856 -0.108 -13.603 444 1HB GLU 59 1HB GLU 59 -1.285 2.876 -13.696 445 2HB GLU 59 2HB GLU 59 -0.042 2.061 -14.634 446 1HG GLU 59 1HG GLU 59 -1.744 0.751 -15.778 447 2HG GLU 59 2HG GLU 59 -3.000 1.526 -14.813 448 H MET 60 H MET 60 -0.026 -0.668 -11.293 449 HA MET 60 HA MET 60 2.445 0.863 -10.928 450 1HB MET 60 1HB MET 60 0.750 1.618 -9.249 451 2HB MET 60 2HB MET 60 0.703 -0.022 -8.622 452 1HG MET 60 1HG MET 60 3.309 1.411 -8.792 453 2HG MET 60 2HG MET 60 2.186 1.791 -7.488 454 1HE MET 60 1HE MET 60 4.209 1.109 -5.831 455 2HE MET 60 2HE MET 60 5.222 0.619 -7.189 456 3HE MET 60 3HE MET 60 4.969 -0.483 -5.836 457 H LEU 61 H LEU 61 0.721 -2.099 -10.927 458 HA LEU 61 HA LEU 61 3.210 -3.545 -10.324 459 1HB LEU 61 1HB LEU 61 1.818 -3.964 -8.460 460 2HB LEU 61 2HB LEU 61 0.395 -4.174 -9.457 461 HG LEU 61 HG LEU 61 1.183 -6.315 -10.244 462 1HD1 LEU 61 1HD1 LEU 61 3.675 -5.752 -8.635 463 2HD1 LEU 61 2HD1 LEU 61 3.560 -5.863 -10.393 464 3HD1 LEU 61 3HD1 LEU 61 3.281 -7.293 -9.399 465 1HD2 LEU 61 1HD2 LEU 61 -0.009 -6.308 -8.131 466 2HD2 LEU 61 2HD2 LEU 61 1.500 -6.050 -7.258 467 3HD2 LEU 61 3HD2 LEU 61 1.235 -7.559 -8.130 468 H LYS 62 H LYS 62 3.878 -4.016 -12.346 469 HA LYS 62 HA LYS 62 2.015 -5.540 -14.046 470 1HB LYS 62 1HB LYS 62 4.159 -3.597 -14.923 471 2HB LYS 62 2HB LYS 62 3.217 -4.609 -16.008 472 1HG LYS 62 1HG LYS 62 1.809 -2.760 -14.139 473 2HG LYS 62 2HG LYS 62 2.553 -2.124 -15.608 474 1HD LYS 62 1HD LYS 62 0.415 -2.590 -16.338 475 2HD LYS 62 2HD LYS 62 1.264 -4.076 -16.765 476 1HE LYS 62 1HE LYS 62 0.448 -5.136 -14.722 477 2HE LYS 62 2HE LYS 62 -0.378 -3.645 -14.273 478 1HZ LYS 62 1HZ LYS 62 -0.955 -5.291 -16.679 479 2HZ LYS 62 2HZ LYS 62 -1.745 -3.856 -16.260 480 3HZ LYS 62 3HZ LYS 62 -1.899 -5.223 -15.277 481 H GLY 63 H GLY 63 2.790 -7.520 -13.210 482 1HA GLY 63 1HA GLY 63 4.139 -9.378 -13.228 483 2HA GLY 63 2HA GLY 63 4.922 -8.668 -14.631 484 H THR 64 H THR 64 4.739 -7.974 -11.156 485 HA THR 64 HA THR 64 6.315 -7.764 -9.540 486 HB THR 64 HB THR 64 8.449 -8.720 -9.683 487 HG1 THR 64 1HG THR 64 9.660 -8.635 -11.433 488 1HG2 THR 64 1HG2 THR 64 6.722 -10.253 -11.631 489 2HG2 THR 64 2HG2 THR 64 6.698 -10.407 -9.875 490 3HG2 THR 64 3HG2 THR 64 8.130 -10.893 -10.783 491 H GLU 65 H GLU 65 5.885 -5.891 -12.047 492 HA GLU 65 HA GLU 65 8.205 -4.160 -11.701 493 1HB GLU 65 1HB GLU 65 5.822 -4.063 -13.543 494 2HB GLU 65 2HB GLU 65 7.007 -2.775 -13.451 495 1HG GLU 65 1HG GLU 65 8.768 -4.345 -14.107 496 2HG GLU 65 2HG GLU 65 7.563 -5.628 -14.226 497 H LEU 66 H LEU 66 8.219 -2.558 -10.270 498 HA LEU 66 HA LEU 66 5.633 -1.537 -9.305 499 1HB LEU 66 1HB LEU 66 8.289 -1.592 -7.875 500 2HB LEU 66 2HB LEU 66 6.820 -0.880 -7.243 501 HG LEU 66 HG LEU 66 7.461 -3.787 -7.645 502 1HD1 LEU 66 1HD1 LEU 66 8.107 -2.738 -5.538 503 2HD1 LEU 66 2HD1 LEU 66 6.825 -3.925 -5.299 504 3HD1 LEU 66 3HD1 LEU 66 6.445 -2.203 -5.291 505 1HD2 LEU 66 1HD2 LEU 66 5.118 -4.273 -7.000 506 2HD2 LEU 66 2HD2 LEU 66 5.256 -3.522 -8.589 507 3HD2 LEU 66 3HD2 LEU 66 4.739 -2.563 -7.203 508 H TYR 67 H TYR 67 5.149 0.370 -10.121 509 HA TYR 67 HA TYR 67 7.178 2.124 -11.175 510 1HB TYR 67 1HB TYR 67 4.172 2.343 -10.975 511 2HB TYR 67 2HB TYR 67 5.182 3.608 -11.665 512 HD1 TYR 67 1HD TYR 67 4.165 0.064 -12.066 513 HD2 TYR 67 2HD TYR 67 5.946 3.470 -13.892 514 HE1 TYR 67 1HE TYR 67 4.090 -1.073 -14.245 515 HE2 TYR 67 2HE TYR 67 5.876 2.342 -16.077 516 HH TYR 67 HH TYR 67 4.092 -0.509 -16.617 517 H VAL 68 H VAL 68 6.695 4.592 -10.651 518 HA VAL 68 HA VAL 68 6.375 4.948 -7.760 519 HB VAL 68 HB VAL 68 8.804 4.706 -8.258 520 1HG1 VAL 68 1HG1 VAL 68 9.957 6.510 -9.452 521 2HG1 VAL 68 2HG1 VAL 68 8.401 7.236 -9.851 522 3HG1 VAL 68 3HG1 VAL 68 8.826 5.652 -10.497 523 1HG2 VAL 68 1HG2 VAL 68 8.051 5.999 -6.332 524 2HG2 VAL 68 2HG2 VAL 68 7.952 7.449 -7.331 525 3HG2 VAL 68 3HG2 VAL 68 9.515 6.696 -7.022 526 H GLU 69 H GLU 69 5.836 5.954 -10.925 527 HA GLU 69 HA GLU 69 5.503 8.746 -10.506 528 1HB GLU 69 1HB GLU 69 4.316 6.990 -12.661 529 2HB GLU 69 2HB GLU 69 4.407 8.746 -12.694 530 1HG GLU 69 1HG GLU 69 6.816 8.661 -12.764 531 2HG GLU 69 2HG GLU 69 6.786 6.907 -12.607 532 HA PRO 70 HA PRO 70 0.781 7.665 -10.213 533 1HB PRO 70 1HB PRO 70 0.178 5.133 -9.376 534 2HB PRO 70 2HB PRO 70 0.219 5.625 -11.072 535 1HG PRO 70 1HG PRO 70 2.266 4.160 -9.472 536 2HG PRO 70 2HG PRO 70 1.768 3.915 -11.153 537 1HD PRO 70 1HD PRO 70 4.046 5.215 -10.467 538 2HD PRO 70 2HD PRO 70 3.124 5.597 -11.934 539 H VAL 71 H VAL 71 3.099 6.142 -8.045 540 HA VAL 71 HA VAL 71 1.536 6.232 -5.693 541 HB VAL 71 HB VAL 71 4.546 6.446 -5.836 542 1HG1 VAL 71 1HG1 VAL 71 4.457 5.333 -3.646 543 2HG1 VAL 71 2HG1 VAL 71 2.695 5.393 -3.699 544 3HG1 VAL 71 3HG1 VAL 71 3.627 6.889 -3.634 545 1HG2 VAL 71 1HG2 VAL 71 2.774 4.014 -5.966 546 2HG2 VAL 71 2HG2 VAL 71 4.499 3.954 -5.609 547 3HG2 VAL 71 3HG2 VAL 71 3.943 4.560 -7.169 548 H TYR 72 H TYR 72 4.074 8.453 -6.856 549 HA TYR 72 HA TYR 72 3.845 10.341 -4.829 550 1HB TYR 72 1HB TYR 72 4.665 10.567 -7.715 551 2HB TYR 72 2HB TYR 72 4.637 11.977 -6.665 552 HD1 TYR 72 1HD TYR 72 7.051 12.258 -7.101 553 HD2 TYR 72 2HD TYR 72 5.544 8.775 -5.171 554 HE1 TYR 72 1HE TYR 72 9.314 11.723 -6.305 555 HE2 TYR 72 2HE TYR 72 7.802 8.235 -4.373 556 HH TYR 72 HH TYR 72 10.380 10.440 -4.512 557 H LYS 73 H LYS 73 1.702 9.582 -7.393 558 HA LYS 73 HA LYS 73 0.302 12.111 -7.325 559 1HB LYS 73 1HB LYS 73 0.473 9.913 -9.123 560 2HB LYS 73 2HB LYS 73 -1.214 10.101 -8.662 561 1HG LYS 73 1HG LYS 73 0.547 12.274 -9.779 562 2HG LYS 73 2HG LYS 73 -0.669 11.365 -10.679 563 1HD LYS 73 1HD LYS 73 -2.429 12.258 -9.288 564 2HD LYS 73 2HD LYS 73 -1.250 13.064 -8.253 565 1HE LYS 73 1HE LYS 73 -2.141 14.715 -9.708 566 2HE LYS 73 2HE LYS 73 -0.511 14.356 -10.275 567 1HZ LYS 73 1HZ LYS 73 -1.474 12.901 -11.963 568 2HZ LYS 73 2HZ LYS 73 -2.046 14.484 -12.120 569 3HZ LYS 73 3HZ LYS 73 -3.031 13.293 -11.433 570 H MET 74 H MET 74 -0.220 8.815 -6.100 571 HA MET 74 HA MET 74 -2.888 9.358 -5.244 572 1HB MET 74 1HB MET 74 -2.848 7.194 -4.209 573 2HB MET 74 2HB MET 74 -2.061 7.069 -5.774 574 1HG MET 74 1HG MET 74 -0.609 5.864 -4.522 575 2HG MET 74 2HG MET 74 0.103 7.460 -4.330 576 1HE MET 74 1HE MET 74 0.599 5.659 -0.841 577 2HE MET 74 2HE MET 74 1.408 6.293 -2.275 578 3HE MET 74 3HE MET 74 0.476 4.800 -2.377 579 H ILE 75 H ILE 75 0.278 9.264 -3.670 580 HA ILE 75 HA ILE 75 -0.451 9.629 -1.035 581 HB ILE 75 HB ILE 75 1.895 10.916 -2.447 582 1HG1 ILE 75 1HG1 ILE 75 1.752 8.295 -0.941 583 2HG1 ILE 75 2HG1 ILE 75 1.759 8.442 -2.695 584 1HG2 ILE 75 1HG2 ILE 75 1.419 11.911 -0.255 585 2HG2 ILE 75 2HG2 ILE 75 2.939 11.017 -0.257 586 3HG2 ILE 75 3HG2 ILE 75 1.504 10.310 0.480 587 1HD1 ILE 75 1HD1 ILE 75 3.976 9.446 -2.607 588 2HD1 ILE 75 2HD1 ILE 75 3.957 7.858 -1.839 589 3HD1 ILE 75 3HD1 ILE 75 3.967 9.317 -0.849 590 H GLU 76 H GLU 76 -0.563 11.870 -3.683 591 HA GLU 76 HA GLU 76 -0.593 14.305 -2.320 592 1HB GLU 76 1HB GLU 76 -1.953 13.473 -4.878 593 2HB GLU 76 2HB GLU 76 -1.941 15.131 -4.293 594 1HG GLU 76 1HG GLU 76 0.538 15.066 -4.328 595 2HG GLU 76 2HG GLU 76 0.443 13.469 -5.065 596 H VAL 77 H VAL 77 -3.442 12.434 -3.412 597 HA VAL 77 HA VAL 77 -5.175 14.057 -1.737 598 HB VAL 77 HB VAL 77 -5.908 11.660 -3.425 599 1HG1 VAL 77 1HG1 VAL 77 -7.576 13.899 -2.281 600 2HG1 VAL 77 2HG1 VAL 77 -7.582 12.214 -1.757 601 3HG1 VAL 77 3HG1 VAL 77 -8.163 12.640 -3.367 602 1HG2 VAL 77 1HG2 VAL 77 -6.605 13.298 -5.128 603 2HG2 VAL 77 2HG2 VAL 77 -4.866 13.339 -4.828 604 3HG2 VAL 77 3HG2 VAL 77 -5.909 14.589 -4.148 605 H VAL 78 H VAL 78 -3.617 10.990 -1.686 606 HA VAL 78 HA VAL 78 -5.248 9.756 0.295 607 HB VAL 78 HB VAL 78 -2.520 9.114 -0.842 608 1HG1 VAL 78 1HG1 VAL 78 -2.552 7.018 0.406 609 2HG1 VAL 78 2HG1 VAL 78 -4.030 7.512 1.232 610 3HG1 VAL 78 3HG1 VAL 78 -2.527 8.390 1.510 611 1HG2 VAL 78 1HG2 VAL 78 -4.426 8.700 -2.278 612 2HG2 VAL 78 2HG2 VAL 78 -5.205 7.753 -1.011 613 3HG2 VAL 78 3HG2 VAL 78 -3.714 7.176 -1.752 614 H HIS 79 H HIS 79 -3.112 12.294 0.444 615 HA HIS 79 HA HIS 79 -2.941 12.104 3.342 616 1HB HIS 79 1HB HIS 79 -0.538 12.393 1.539 617 2HB HIS 79 2HB HIS 79 -0.514 12.857 3.238 618 HD1 HIS 79 1HD HIS 79 -0.628 10.938 4.990 619 HD2 HIS 79 2HD HIS 79 -0.466 9.657 1.041 620 HE1 HIS 79 1HE HIS 79 -0.100 8.482 5.103 621 HE2 HIS 79 2HE HIS 79 -0.066 7.715 2.702 622 H ALA 80 H ALA 80 -4.623 13.702 1.870 623 HA ALA 80 HA ALA 80 -3.601 16.270 1.288 624 1HB ALA 80 1HB ALA 80 -5.923 16.992 1.240 625 2HB ALA 80 2HB ALA 80 -6.421 15.496 2.031 626 3HB ALA 80 3HB ALA 80 -5.736 15.450 0.405 627 H GLY 81 H GLY 81 -3.185 17.991 2.526 628 1HA GLY 81 1HA GLY 81 -4.337 18.968 4.743 629 2HA GLY 81 2HA GLY 81 -3.344 17.679 5.409 630 H ASN 82 H ASN 82 -1.009 17.739 4.394 631 HA ASN 82 HA ASN 82 -0.080 20.533 4.396 632 1HB ASN 82 1HB ASN 82 1.179 18.172 5.804 633 2HB ASN 82 2HB ASN 82 1.937 19.752 5.639 634 1HD2 ASN 82 1HD2 ASN 82 1.142 21.484 6.808 635 2HD2 ASN 82 2HD2 ASN 82 0.074 21.278 8.149 636 H ALA 83 H ALA 83 1.719 21.003 3.124 637 HA ALA 83 HA ALA 83 1.970 19.497 0.744 638 1HB ALA 83 1HB ALA 83 3.707 21.095 0.136 639 2HB ALA 83 2HB ALA 83 3.761 21.685 1.797 640 3HB ALA 83 3HB ALA 83 2.308 21.920 0.824 641 H ASP 84 H ASP 84 3.863 19.606 3.710 642 HA ASP 84 HA ASP 84 5.967 17.978 2.582 643 1HB ASP 84 1HB ASP 84 6.991 18.052 4.762 644 2HB ASP 84 2HB ASP 84 6.455 19.671 4.325 645 H ASP 85 H ASP 85 3.073 17.536 4.490 646 HA ASP 85 HA ASP 85 3.495 15.008 5.546 647 1HB ASP 85 1HB ASP 85 1.486 16.240 6.094 648 2HB ASP 85 2HB ASP 85 0.960 16.216 4.414 649 H ILE 86 H ILE 86 2.845 16.034 2.302 650 HA ILE 86 HA ILE 86 2.440 13.366 1.275 651 HB ILE 86 HB ILE 86 2.771 16.038 -0.109 652 1HG1 ILE 86 1HG1 ILE 86 0.305 14.308 0.137 653 2HG1 ILE 86 2HG1 ILE 86 0.685 15.605 1.264 654 1HG2 ILE 86 1HG2 ILE 86 3.565 14.256 -1.562 655 2HG2 ILE 86 2HG2 ILE 86 2.030 14.890 -2.150 656 3HG2 ILE 86 3HG2 ILE 86 2.076 13.351 -1.294 657 1HD1 ILE 86 1HD1 ILE 86 -0.919 16.295 -0.444 658 2HD1 ILE 86 2HD1 ILE 86 0.271 15.943 -1.697 659 3HD1 ILE 86 3HD1 ILE 86 0.575 17.229 -0.528 660 H GLN 87 H GLN 87 4.969 15.768 1.527 661 HA GLN 87 HA GLN 87 6.843 14.478 -0.176 662 1HB GLN 87 1HB GLN 87 7.193 16.557 1.980 663 2HB GLN 87 2HB GLN 87 8.493 16.010 0.930 664 1HG GLN 87 1HG GLN 87 5.978 17.423 0.115 665 2HG GLN 87 2HG GLN 87 7.608 18.085 0.121 666 1HE2 GLN 87 1HE2 GLN 87 8.773 15.606 -0.903 667 2HE2 GLN 87 2HE2 GLN 87 8.369 15.548 -2.582 668 H LEU 88 H LEU 88 5.815 13.947 3.039 669 HA LEU 88 HA LEU 88 8.225 12.686 3.965 670 1HB LEU 88 1HB LEU 88 6.755 13.744 5.564 671 2HB LEU 88 2HB LEU 88 5.415 12.732 5.065 672 HG LEU 88 HG LEU 88 6.670 10.747 5.916 673 1HD1 LEU 88 1HD1 LEU 88 8.558 11.114 7.414 674 2HD1 LEU 88 2HD1 LEU 88 8.523 12.840 7.048 675 3HD1 LEU 88 3HD1 LEU 88 8.922 11.679 5.782 676 1HD2 LEU 88 1HD2 LEU 88 6.146 12.929 7.930 677 2HD2 LEU 88 2HD2 LEU 88 6.220 11.199 8.266 678 3HD2 LEU 88 3HD2 LEU 88 4.935 11.845 7.247 679 H VAL 89 H VAL 89 5.055 11.592 2.816 680 HA VAL 89 HA VAL 89 5.619 8.819 3.120 681 HB VAL 89 HB VAL 89 3.591 10.053 1.258 682 1HG1 VAL 89 1HG1 VAL 89 3.971 7.674 0.909 683 2HG1 VAL 89 2HG1 VAL 89 2.377 7.952 1.612 684 3HG1 VAL 89 3HG1 VAL 89 3.699 7.366 2.624 685 1HG2 VAL 89 1HG2 VAL 89 3.273 11.003 3.458 686 2HG2 VAL 89 2HG2 VAL 89 3.335 9.400 4.191 687 3HG2 VAL 89 3HG2 VAL 89 1.995 9.833 3.129 688 H LYS 90 H LYS 90 6.148 11.165 0.592 689 HA LYS 90 HA LYS 90 6.512 9.566 -1.629 690 1HB LYS 90 1HB LYS 90 7.270 12.233 -0.810 691 2HB LYS 90 2HB LYS 90 8.553 11.492 -1.756 692 1HG LYS 90 1HG LYS 90 7.407 12.283 -3.506 693 2HG LYS 90 2HG LYS 90 6.382 10.875 -3.252 694 1HD LYS 90 1HD LYS 90 4.857 12.187 -1.904 695 2HD LYS 90 2HD LYS 90 5.901 13.595 -2.083 696 1HE LYS 90 1HE LYS 90 4.597 12.146 -4.374 697 2HE LYS 90 2HE LYS 90 3.939 13.589 -3.610 698 1HZ LYS 90 1HZ LYS 90 5.941 14.790 -4.239 699 2HZ LYS 90 2HZ LYS 90 5.181 14.139 -5.602 700 3HZ LYS 90 3HZ LYS 90 6.569 13.402 -4.976 701 H GLY 91 H GLY 91 8.666 10.156 1.083 702 1HA GLY 91 1HA GLY 91 10.868 8.710 -0.110 703 2HA GLY 91 2HA GLY 91 10.805 9.363 1.521 704 H ILE 92 H ILE 92 8.258 8.034 2.132 705 HA ILE 92 HA ILE 92 9.246 5.664 3.257 706 HB ILE 92 HB ILE 92 6.349 6.257 2.644 707 1HG1 ILE 92 1HG1 ILE 92 7.237 8.150 3.850 708 2HG1 ILE 92 2HG1 ILE 92 6.274 7.183 4.962 709 1HG2 ILE 92 1HG2 ILE 92 5.915 4.830 4.599 710 2HG2 ILE 92 2HG2 ILE 92 7.644 4.499 4.721 711 3HG2 ILE 92 3HG2 ILE 92 6.742 3.963 3.303 712 1HD1 ILE 92 1HD1 ILE 92 8.320 6.203 5.866 713 2HD1 ILE 92 2HD1 ILE 92 8.289 7.955 6.036 714 3HD1 ILE 92 3HD1 ILE 92 9.275 7.208 4.779 715 H ALA 93 H ALA 93 7.607 6.314 0.223 716 HA ALA 93 HA ALA 93 7.240 3.551 -0.460 717 1HB ALA 93 1HB ALA 93 6.507 4.387 -2.623 718 2HB ALA 93 2HB ALA 93 7.099 5.999 -2.219 719 3HB ALA 93 3HB ALA 93 5.751 5.303 -1.319 720 H ASN 94 H ASN 94 9.822 5.785 -0.641 721 HA ASN 94 HA ASN 94 11.188 4.617 -2.871 722 1HB ASN 94 1HB ASN 94 11.618 6.932 -2.276 723 2HB ASN 94 2HB ASN 94 12.148 6.456 -0.667 724 1HD2 ASN 94 1HD2 ASN 94 12.939 4.736 -3.614 725 2HD2 ASN 94 2HD2 ASN 94 14.629 5.096 -3.592 726 H GLU 95 H GLU 95 11.391 4.352 0.641 727 HA GLU 95 HA GLU 95 13.599 2.551 0.654 728 1HB GLU 95 1HB GLU 95 11.516 3.020 2.802 729 2HB GLU 95 2HB GLU 95 13.091 2.271 3.020 730 1HG GLU 95 1HG GLU 95 14.208 4.336 2.526 731 2HG GLU 95 2HG GLU 95 12.677 5.108 2.120 732 H CYS 96 H CYS 96 10.270 2.238 0.035 733 HA CYS 96 HA CYS 96 10.058 -0.542 0.777 734 1HB CYS 96 1HB CYS 96 8.298 1.644 0.054 735 2HB CYS 96 2HB CYS 96 7.881 0.176 -0.807 736 H ILE 97 H ILE 97 10.379 1.382 -2.171 737 HA ILE 97 HA ILE 97 9.987 -0.786 -3.970 738 HB ILE 97 HB ILE 97 11.270 1.917 -4.361 739 1HG1 ILE 97 1HG1 ILE 97 8.611 0.850 -5.328 740 2HG1 ILE 97 2HG1 ILE 97 8.809 1.791 -3.855 741 1HG2 ILE 97 1HG2 ILE 97 11.057 1.469 -6.788 742 2HG2 ILE 97 2HG2 ILE 97 10.628 -0.199 -6.412 743 3HG2 ILE 97 3HG2 ILE 97 12.225 0.418 -5.989 744 1HD1 ILE 97 1HD1 ILE 97 9.611 3.681 -5.145 745 2HD1 ILE 97 2HD1 ILE 97 8.030 3.153 -5.724 746 3HD1 ILE 97 3HD1 ILE 97 9.485 2.736 -6.630 747 H GLU 98 H GLU 98 12.817 0.627 -2.424 748 HA GLU 98 HA GLU 98 14.748 -0.755 -3.986 749 1HB GLU 98 1HB GLU 98 14.966 0.469 -1.232 750 2HB GLU 98 2HB GLU 98 16.328 -0.112 -2.181 751 1HG GLU 98 1HG GLU 98 15.851 1.540 -3.901 752 2HG GLU 98 2HG GLU 98 14.463 2.112 -2.979 753 H ASN 99 H ASN 99 12.626 -1.800 -1.578 754 HA ASN 99 HA ASN 99 14.335 -4.094 -0.898 755 1HB ASN 99 1HB ASN 99 13.571 -2.919 1.062 756 2HB ASN 99 2HB ASN 99 11.905 -2.948 0.490 757 1HD2 ASN 99 1HD2 ASN 99 10.736 -4.861 0.591 758 2HD2 ASN 99 2HD2 ASN 99 11.238 -6.195 1.569 759 H ALA 100 H ALA 100 10.996 -3.278 -1.780 760 HA ALA 100 HA ALA 100 10.504 -6.064 -2.518 761 1HB ALA 100 1HB ALA 100 8.864 -4.883 -1.091 762 2HB ALA 100 2HB ALA 100 8.168 -5.474 -2.600 763 3HB ALA 100 3HB ALA 100 8.557 -3.763 -2.418 764 H LYS 101 H LYS 101 12.290 -4.762 -4.178 765 HA LYS 101 HA LYS 101 11.515 -3.405 -6.358 766 1HB LYS 101 1HB LYS 101 13.146 -4.982 -7.671 767 2HB LYS 101 2HB LYS 101 13.745 -3.881 -6.439 768 1HG LYS 101 1HG LYS 101 14.822 -5.942 -6.080 769 2HG LYS 101 2HG LYS 101 13.598 -5.785 -4.825 770 1HD LYS 101 1HD LYS 101 12.357 -7.069 -6.993 771 2HD LYS 101 2HD LYS 101 13.922 -7.852 -6.763 772 1HE LYS 101 1HE LYS 101 11.892 -7.366 -4.581 773 2HE LYS 101 2HE LYS 101 12.116 -8.890 -5.433 774 1HZ LYS 101 1HZ LYS 101 14.189 -7.524 -3.808 775 2HZ LYS 101 2HZ LYS 101 14.363 -9.014 -4.589 776 3HZ LYS 101 3HZ LYS 101 13.275 -8.857 -3.305 777 H GLY 102 H GLY 102 10.608 -6.685 -5.643 778 1HA GLY 102 1HA GLY 102 8.358 -7.030 -6.926 779 2HA GLY 102 2HA GLY 102 9.438 -7.023 -8.311 780 H GLU 103 H GLU 103 8.339 -8.787 -5.529 781 HA GLU 103 HA GLU 103 10.184 -10.926 -5.643 782 1HB GLU 103 1HB GLU 103 7.370 -10.783 -4.552 783 2HB GLU 103 2HB GLU 103 8.433 -12.168 -4.340 784 1HG GLU 103 1HG GLU 103 9.012 -9.377 -3.376 785 2HG GLU 103 2HG GLU 103 8.383 -10.690 -2.382 786 H THR 104 H THR 104 9.061 -13.265 -5.904 787 HA THR 104 HA THR 104 8.300 -13.364 -8.715 788 HB THR 104 HB THR 104 10.084 -14.858 -8.054 789 HG1 THR 104 1HG THR 104 8.000 -16.693 -8.317 790 1HG2 THR 104 1HG2 THR 104 9.519 -15.111 -5.688 791 2HG2 THR 104 2HG2 THR 104 9.712 -16.685 -6.459 792 3HG2 THR 104 3HG2 THR 104 8.097 -16.061 -6.121 793 H ASP 105 H ASP 105 6.992 -14.074 -5.542 794 HA ASP 105 HA ASP 105 4.567 -15.206 -6.714 795 1HB ASP 105 1HB ASP 105 5.506 -16.388 -4.798 796 2HB ASP 105 2HB ASP 105 5.421 -14.922 -3.827 797 H GLU 106 H GLU 106 2.586 -14.247 -6.624 798 HA GLU 106 HA GLU 106 2.303 -11.547 -6.808 799 1HB GLU 106 1HB GLU 106 0.563 -13.152 -7.441 800 2HB GLU 106 2HB GLU 106 0.242 -13.482 -5.745 801 1HG GLU 106 1HG GLU 106 -0.458 -11.155 -5.433 802 2HG GLU 106 2HG GLU 106 -0.158 -10.846 -7.142 803 H CYS 107 H CYS 107 1.263 -13.339 -3.895 804 HA CYS 107 HA CYS 107 0.814 -11.111 -2.300 805 1HB CYS 107 1HB CYS 107 1.655 -13.888 -1.450 806 2HB CYS 107 2HB CYS 107 0.979 -12.665 -0.382 807 H ASN 108 H ASN 108 3.772 -13.041 -2.679 808 HA ASN 108 HA ASN 108 5.290 -11.862 -0.666 809 1HB ASN 108 1HB ASN 108 6.150 -13.030 -3.316 810 2HB ASN 108 2HB ASN 108 7.273 -12.564 -2.043 811 1HD2 ASN 108 1HD2 ASN 108 8.025 -14.646 -1.762 812 2HD2 ASN 108 2HD2 ASN 108 7.079 -15.884 -1.021 813 H ILE 109 H ILE 109 4.713 -10.779 -3.976 814 HA ILE 109 HA ILE 109 6.653 -8.760 -4.094 815 HB ILE 109 HB ILE 109 3.958 -8.916 -5.449 816 1HG1 ILE 109 1HG1 ILE 109 6.722 -9.478 -6.536 817 2HG1 ILE 109 2HG1 ILE 109 5.631 -10.722 -5.939 818 1HG2 ILE 109 1HG2 ILE 109 6.278 -7.070 -6.003 819 2HG2 ILE 109 2HG2 ILE 109 4.684 -6.609 -5.405 820 3HG2 ILE 109 3HG2 ILE 109 4.862 -7.258 -7.035 821 1HD1 ILE 109 1HD1 ILE 109 5.517 -10.637 -8.330 822 2HD1 ILE 109 2HD1 ILE 109 5.178 -8.905 -8.292 823 3HD1 ILE 109 3HD1 ILE 109 3.994 -10.051 -7.661 824 H GLY 110 H GLY 110 3.322 -8.706 -2.890 825 1HA GLY 110 1HA GLY 110 3.501 -5.878 -2.258 826 2HA GLY 110 2HA GLY 110 2.113 -6.921 -1.995 827 H ASN 111 H ASN 111 3.786 -8.929 -0.570 828 HA ASN 111 HA ASN 111 3.324 -8.055 2.041 829 1HB ASN 111 1HB ASN 111 5.079 -10.260 0.966 830 2HB ASN 111 2HB ASN 111 4.852 -9.986 2.689 831 1HD2 ASN 111 1HD2 ASN 111 2.209 -9.397 2.887 832 2HD2 ASN 111 2HD2 ASN 111 1.263 -10.745 2.366 833 H LYS 112 H LYS 112 6.220 -7.882 0.057 834 HA LYS 112 HA LYS 112 7.834 -6.869 2.216 835 1HB LYS 112 1HB LYS 112 8.282 -7.235 -0.738 836 2HB LYS 112 2HB LYS 112 9.439 -6.367 0.262 837 1HG LYS 112 1HG LYS 112 9.631 -8.379 1.697 838 2HG LYS 112 2HG LYS 112 8.581 -9.236 0.568 839 1HD LYS 112 1HD LYS 112 10.181 -8.948 -1.212 840 2HD LYS 112 2HD LYS 112 11.196 -7.934 -0.184 841 1HE LYS 112 1HE LYS 112 11.528 -9.850 1.331 842 2HE LYS 112 2HE LYS 112 10.573 -10.855 0.241 843 1HZ LYS 112 1HZ LYS 112 12.967 -11.115 -0.101 844 2HZ LYS 112 2HZ LYS 112 13.097 -9.475 -0.493 845 3HZ LYS 112 3HZ LYS 112 12.200 -10.511 -1.483 846 H TYR 113 H TYR 113 6.093 -5.580 -0.547 847 HA TYR 113 HA TYR 113 7.038 -2.917 -0.330 848 1HB TYR 113 1HB TYR 113 5.983 -3.925 -2.368 849 2HB TYR 113 2HB TYR 113 4.429 -3.835 -1.545 850 HD1 TYR 113 1HD TYR 113 3.148 -1.880 -1.659 851 HD2 TYR 113 2HD TYR 113 7.273 -1.730 -2.691 852 HE1 TYR 113 1HE TYR 113 2.860 0.428 -2.454 853 HE2 TYR 113 2HE TYR 113 6.998 0.578 -3.486 854 HH TYR 113 HH TYR 113 4.236 2.432 -2.827 855 H THR 114 H THR 114 4.570 -4.689 1.349 856 HA THR 114 HA THR 114 3.305 -2.270 2.350 857 HB THR 114 HB THR 114 1.884 -4.227 1.861 858 HG1 THR 114 1HG THR 114 0.767 -3.242 3.366 859 1HG2 THR 114 1HG2 THR 114 3.297 -5.537 4.189 860 2HG2 THR 114 2HG2 THR 114 3.510 -5.978 2.495 861 3HG2 THR 114 3HG2 THR 114 1.943 -6.200 3.272 862 H ASP 115 H ASP 115 5.265 -4.952 3.556 863 HA ASP 115 HA ASP 115 5.468 -4.511 6.209 864 1HB ASP 115 1HB ASP 115 6.723 -6.230 4.896 865 2HB ASP 115 2HB ASP 115 7.855 -4.965 4.408 866 H CYS 116 H CYS 116 7.876 -3.115 4.014 867 HA CYS 116 HA CYS 116 9.016 -1.333 5.794 868 1HB CYS 116 1HB CYS 116 9.595 -0.057 3.596 869 2HB CYS 116 2HB CYS 116 10.232 -1.679 3.852 870 H TYR 117 H TYR 117 6.239 -0.848 3.654 871 HA TYR 117 HA TYR 117 5.944 1.899 3.886 872 1HB TYR 117 1HB TYR 117 4.458 -0.200 2.796 873 2HB TYR 117 2HB TYR 117 3.369 0.564 3.950 874 HD1 TYR 117 1HD TYR 117 2.774 2.956 3.690 875 HD2 TYR 117 2HD TYR 117 5.083 0.898 0.767 876 HE1 TYR 117 1HE TYR 117 2.289 4.734 2.065 877 HE2 TYR 117 2HE TYR 117 4.608 2.674 -0.867 878 HH TYR 117 HH TYR 117 2.915 4.411 -1.256 879 H ILE 118 H ILE 118 4.962 -0.655 6.085 880 HA ILE 118 HA ILE 118 3.631 1.183 7.872 881 HB ILE 118 HB ILE 118 4.225 -1.742 8.082 882 1HG1 ILE 118 1HG1 ILE 118 1.556 -0.392 7.832 883 2HG1 ILE 118 2HG1 ILE 118 2.486 -0.927 6.436 884 1HG2 ILE 118 1HG2 ILE 118 2.763 -1.786 10.054 885 2HG2 ILE 118 2HG2 ILE 118 2.705 -0.025 10.017 886 3HG2 ILE 118 3HG2 ILE 118 4.233 -0.849 10.316 887 1HD1 ILE 118 1HD1 ILE 118 0.753 -2.525 7.079 888 2HD1 ILE 118 2HD1 ILE 118 1.510 -2.699 8.663 889 3HD1 ILE 118 3HD1 ILE 118 2.370 -3.214 7.210 890 H GLU 119 H GLU 119 6.669 -0.552 7.666 891 HA GLU 119 HA GLU 119 7.611 -0.290 10.254 892 1HB GLU 119 1HB GLU 119 8.722 -1.630 8.527 893 2HB GLU 119 2HB GLU 119 9.201 -0.161 7.688 894 1HG GLU 119 1HG GLU 119 10.563 0.496 9.599 895 2HG GLU 119 2HG GLU 119 10.075 -0.966 10.453 896 H LYS 120 H LYS 120 7.936 2.019 7.556 897 HA LYS 120 HA LYS 120 9.298 3.904 9.279 898 1HB LYS 120 1HB LYS 120 8.489 4.001 6.379 899 2HB LYS 120 2HB LYS 120 9.224 5.364 7.209 900 1HG LYS 120 1HG LYS 120 10.998 4.316 6.128 901 2HG LYS 120 2HG LYS 120 11.123 3.769 7.801 902 1HD LYS 120 1HD LYS 120 10.025 1.673 7.210 903 2HD LYS 120 2HD LYS 120 9.848 2.224 5.543 904 1HE LYS 120 1HE LYS 120 12.308 2.375 5.372 905 2HE LYS 120 2HE LYS 120 12.439 1.734 7.009 906 1HZ LYS 120 1HZ LYS 120 12.748 -0.004 5.374 907 2HZ LYS 120 2HZ LYS 120 11.240 0.327 4.683 908 3HZ LYS 120 3HZ LYS 120 11.332 -0.287 6.257 909 H LEU 121 H LEU 121 6.147 3.738 7.605 910 HA LEU 121 HA LEU 121 5.367 6.205 8.990 911 1HB LEU 121 1HB LEU 121 4.985 5.401 6.408 912 2HB LEU 121 2HB LEU 121 3.448 4.986 7.136 913 HG LEU 121 HG LEU 121 4.719 7.722 7.094 914 1HD1 LEU 121 1HD1 LEU 121 3.832 7.051 4.937 915 2HD1 LEU 121 2HD1 LEU 121 2.818 8.300 5.658 916 3HD1 LEU 121 3HD1 LEU 121 2.296 6.615 5.684 917 1HD2 LEU 121 1HD2 LEU 121 2.063 6.842 8.224 918 2HD2 LEU 121 2HD2 LEU 121 2.638 8.505 8.107 919 3HD2 LEU 121 3HD2 LEU 121 3.464 7.358 9.162 920 H PHE 122 H PHE 122 4.024 2.998 8.318 921 HA PHE 122 HA PHE 122 3.299 1.729 10.359 922 1HB PHE 122 1HB PHE 122 1.512 2.593 11.643 923 2HB PHE 122 2HB PHE 122 2.711 3.862 11.519 924 HD1 PHE 122 1HD PHE 122 0.002 4.450 12.388 925 HD2 PHE 122 2HD PHE 122 1.606 4.230 8.452 926 HE1 PHE 122 1HE PHE 122 -1.734 6.008 11.604 927 HE2 PHE 122 2HE PHE 122 -0.130 5.798 7.657 928 HZ PHE 122 HZ PHE 122 -1.801 6.685 9.235 929 H SER 123 H SER 123 2.378 2.924 7.409 930 HA SER 123 HA SER 123 0.381 0.802 7.085 931 1HB SER 123 1HB SER 123 -1.063 2.266 5.780 932 2HB SER 123 2HB SER 123 -0.807 2.956 7.381 933 HG SER 123 HG SER 123 0.637 4.409 6.504 934 1H4 TSD 124 1H4 TSP 124 -0.133 0.718 1.477 935 2H4 TSD 124 2H4 TSP 124 -0.564 2.335 0.973 936 3H4 TSD 124 3H4 TSP 124 1.059 1.739 0.707 937 1H5 TSD 124 1H5 TSP 124 -2.514 1.648 -1.901 938 2H5 TSD 124 2H5 TSP 124 -2.728 1.335 -0.194 939 3H5 TSD 124 3H5 TSP 124 -2.705 0.006 -1.330 940 1H6 TSD 124 1H6 TSP 124 1.099 -0.986 -0.932 941 2H6 TSD 124 2H6 TSP 124 -0.205 -1.262 -2.063 942 3H6 TSD 124 3H6 TSP 124 -0.463 -1.515 -0.352 943 1D3 TSD 124 1D3 TSP 124 0.041 2.851 -2.057 944 2D3 TSD 124 2D3 TSP 124 1.397 1.741 -2.057 945 1D2 TSD 124 1D2 TSP 124 -1.055 1.569 -3.837 946 2D2 TSD 124 2D2 TSP 124 0.245 0.378 -3.804 Start of MODEL 12 1 HA ILE 1 HA ILE 1 -1.005 13.906 11.294 2 HB ILE 1 HB ILE 1 -1.155 12.569 9.199 3 1HG1 ILE 1 1HG1 ILE 1 1.105 10.971 10.428 4 2HG1 ILE 1 2HG1 ILE 1 -0.540 10.384 10.209 5 1HG2 ILE 1 1HG2 ILE 1 1.635 13.381 10.006 6 2HG2 ILE 1 2HG2 ILE 1 0.376 14.463 9.411 7 3HG2 ILE 1 3HG2 ILE 1 1.037 13.214 8.354 8 1HD1 ILE 1 1HD1 ILE 1 -0.292 10.622 7.787 9 2HD1 ILE 1 2HD1 ILE 1 0.918 9.538 8.475 10 3HD1 ILE 1 3HD1 ILE 1 1.364 11.183 8.020 11 H ASP 2 H ASP 2 -3.171 13.489 10.922 12 HA ASP 2 HA ASP 2 -4.474 11.779 12.709 13 1HB ASP 2 1HB ASP 2 -5.544 13.019 10.165 14 2HB ASP 2 2HB ASP 2 -6.525 12.336 11.459 15 H GLN 3 H GLN 3 -5.347 9.776 12.557 16 HA GLN 3 HA GLN 3 -4.217 7.909 10.808 17 1HB GLN 3 1HB GLN 3 -6.656 7.778 12.577 18 2HB GLN 3 2HB GLN 3 -6.083 6.398 11.652 19 1HG GLN 3 1HG GLN 3 -5.283 6.238 13.908 20 2HG GLN 3 2HG GLN 3 -3.923 6.538 12.825 21 1HE2 GLN 3 1HE2 GLN 3 -2.867 8.512 12.898 22 2HE2 GLN 3 2HE2 GLN 3 -3.061 9.617 14.213 23 H ASP 4 H ASP 4 -6.753 10.105 10.312 24 HA ASP 4 HA ASP 4 -8.209 8.590 8.361 25 1HB ASP 4 1HB ASP 4 -8.191 11.558 8.949 26 2HB ASP 4 2HB ASP 4 -9.331 10.749 7.880 27 H THR 5 H THR 5 -5.804 11.174 8.279 28 HA THR 5 HA THR 5 -5.649 11.757 5.608 29 HB THR 5 HB THR 5 -3.248 11.400 7.404 30 HG1 THR 5 1HG THR 5 -3.715 13.759 7.729 31 1HG2 THR 5 1HG2 THR 5 -2.287 13.194 6.041 32 2HG2 THR 5 2HG2 THR 5 -3.744 13.221 5.049 33 3HG2 THR 5 3HG2 THR 5 -2.706 11.795 5.054 34 H VAL 6 H VAL 6 -4.204 9.023 7.286 35 HA VAL 6 HA VAL 6 -3.034 8.015 4.830 36 HB VAL 6 HB VAL 6 -3.065 6.820 7.602 37 1HG1 VAL 6 1HG1 VAL 6 -2.774 5.101 5.919 38 2HG1 VAL 6 2HG1 VAL 6 -1.252 5.383 6.765 39 3HG1 VAL 6 3HG1 VAL 6 -1.496 6.041 5.147 40 1HG2 VAL 6 1HG2 VAL 6 -0.914 8.346 6.138 41 2HG2 VAL 6 2HG2 VAL 6 -0.745 7.590 7.724 42 3HG2 VAL 6 3HG2 VAL 6 -1.861 8.937 7.503 43 H VAL 7 H VAL 7 -5.123 6.518 7.306 44 HA VAL 7 HA VAL 7 -5.895 4.356 5.688 45 HB VAL 7 HB VAL 7 -7.389 5.483 8.054 46 1HG1 VAL 7 1HG1 VAL 7 -8.721 3.905 6.782 47 2HG1 VAL 7 2HG1 VAL 7 -8.214 3.176 8.306 48 3HG1 VAL 7 3HG1 VAL 7 -7.400 2.736 6.804 49 1HG2 VAL 7 1HG2 VAL 7 -5.177 3.435 7.943 50 2HG2 VAL 7 2HG2 VAL 7 -6.117 3.844 9.377 51 3HG2 VAL 7 3HG2 VAL 7 -5.071 5.054 8.634 52 H ALA 8 H ALA 8 -7.945 7.089 6.740 53 HA ALA 8 HA ALA 8 -10.164 6.484 5.220 54 1HB ALA 8 1HB ALA 8 -9.264 9.287 5.834 55 2HB ALA 8 2HB ALA 8 -10.004 8.210 7.018 56 3HB ALA 8 3HB ALA 8 -10.911 8.708 5.590 57 H LYS 9 H LYS 9 -7.158 7.890 4.106 58 HA LYS 9 HA LYS 9 -8.399 8.779 1.624 59 1HB LYS 9 1HB LYS 9 -5.563 8.939 2.631 60 2HB LYS 9 2HB LYS 9 -6.056 9.483 1.033 61 1HG LYS 9 1HG LYS 9 -7.168 10.546 3.621 62 2HG LYS 9 2HG LYS 9 -5.883 11.309 2.685 63 1HD LYS 9 1HD LYS 9 -7.579 12.451 1.742 64 2HD LYS 9 2HD LYS 9 -7.780 10.988 0.777 65 1HE LYS 9 1HE LYS 9 -9.914 11.717 1.690 66 2HE LYS 9 2HE LYS 9 -9.440 10.166 2.380 67 1HZ LYS 9 1HZ LYS 9 -9.106 12.807 3.696 68 2HZ LYS 9 2HZ LYS 9 -8.678 11.311 4.359 69 3HZ LYS 9 3HZ LYS 9 -10.306 11.670 4.064 70 H TYR 10 H TYR 10 -5.656 6.637 2.439 71 HA TYR 10 HA TYR 10 -5.334 5.528 -0.091 72 1HB TYR 10 1HB TYR 10 -4.707 4.500 2.664 73 2HB TYR 10 2HB TYR 10 -4.377 3.527 1.237 74 HD1 TYR 10 1HD TYR 10 -3.138 5.032 -0.695 75 HD2 TYR 10 2HD TYR 10 -2.894 5.635 3.510 76 HE1 TYR 10 1HE TYR 10 -0.998 6.205 -0.993 77 HE2 TYR 10 2HE TYR 10 -0.753 6.808 3.222 78 HH TYR 10 HH TYR 10 1.068 6.954 1.616 79 H MET 11 H MET 11 -7.760 4.915 2.285 80 HA MET 11 HA MET 11 -8.539 2.363 1.164 81 1HB MET 11 1HB MET 11 -8.762 2.719 3.560 82 2HB MET 11 2HB MET 11 -9.825 4.091 3.283 83 1HG MET 11 1HG MET 11 -11.495 2.620 2.308 84 2HG MET 11 2HG MET 11 -10.426 1.239 2.538 85 1HE MET 11 1HE MET 11 -13.417 1.286 3.567 86 2HE MET 11 2HE MET 11 -13.245 0.615 5.188 87 3HE MET 11 3HE MET 11 -12.337 -0.080 3.846 88 H GLU 12 H GLU 12 -10.117 5.546 1.517 89 HA GLU 12 HA GLU 12 -12.337 4.926 -0.098 90 1HB GLU 12 1HB GLU 12 -12.273 6.793 1.518 91 2HB GLU 12 2HB GLU 12 -11.135 7.639 0.477 92 1HG GLU 12 1HG GLU 12 -13.367 8.520 0.191 93 2HG GLU 12 2HG GLU 12 -12.819 7.735 -1.289 94 H TYR 13 H TYR 13 -9.108 5.849 -0.905 95 HA TYR 13 HA TYR 13 -9.490 7.049 -3.397 96 1HB TYR 13 1HB TYR 13 -7.321 6.612 -1.928 97 2HB TYR 13 2HB TYR 13 -7.153 5.236 -3.011 98 HD1 TYR 13 1HD TYR 13 -6.110 8.481 -2.527 99 HD2 TYR 13 2HD TYR 13 -7.645 5.970 -5.602 100 HE1 TYR 13 1HE TYR 13 -5.096 9.944 -4.221 101 HE2 TYR 13 2HE TYR 13 -6.633 7.427 -7.304 102 HH TYR 13 HH TYR 13 -4.339 9.814 -6.553 103 H LEU 14 H LEU 14 -9.129 3.611 -2.561 104 HA LEU 14 HA LEU 14 -10.343 2.951 -5.146 105 1HB LEU 14 1HB LEU 14 -7.823 1.739 -4.026 106 2HB LEU 14 2HB LEU 14 -8.760 0.990 -5.304 107 HG LEU 14 HG LEU 14 -8.384 3.465 -6.353 108 1HD1 LEU 14 1HD1 LEU 14 -5.892 2.820 -4.786 109 2HD1 LEU 14 2HD1 LEU 14 -6.979 4.176 -4.491 110 3HD1 LEU 14 3HD1 LEU 14 -6.058 4.096 -5.993 111 1HD2 LEU 14 1HD2 LEU 14 -6.520 1.104 -6.567 112 2HD2 LEU 14 2HD2 LEU 14 -6.645 2.429 -7.724 113 3HD2 LEU 14 3HD2 LEU 14 -8.009 1.338 -7.482 114 H MET 15 H MET 15 -11.437 3.012 -2.450 115 HA MET 15 HA MET 15 -11.570 0.599 -1.145 116 1HB MET 15 1HB MET 15 -12.647 2.820 -0.508 117 2HB MET 15 2HB MET 15 -13.990 2.347 -1.538 118 1HG MET 15 1HG MET 15 -14.332 0.349 -0.180 119 2HG MET 15 2HG MET 15 -12.980 0.824 0.847 120 1HE MET 15 1HE MET 15 -15.766 3.110 -0.767 121 2HE MET 15 2HE MET 15 -16.950 3.160 0.539 122 3HE MET 15 3HE MET 15 -16.634 1.645 -0.306 123 HA PRO 16 HA PRO 16 -15.225 -0.821 -3.996 124 1HB PRO 16 1HB PRO 16 -15.391 0.346 -6.451 125 2HB PRO 16 2HB PRO 16 -16.288 0.923 -5.042 126 1HG PRO 16 1HG PRO 16 -13.728 1.950 -6.208 127 2HG PRO 16 2HG PRO 16 -15.132 2.859 -5.614 128 1HD PRO 16 1HD PRO 16 -12.901 2.550 -4.138 129 2HD PRO 16 2HD PRO 16 -14.513 2.614 -3.403 130 H ASP 17 H ASP 17 -12.238 0.291 -5.510 131 HA ASP 17 HA ASP 17 -12.110 -1.918 -7.346 132 1HB ASP 17 1HB ASP 17 -10.033 0.141 -6.580 133 2HB ASP 17 2HB ASP 17 -9.862 -1.024 -7.890 134 H ILE 18 H ILE 18 -11.738 -1.819 -4.109 135 HA ILE 18 HA ILE 18 -9.396 -3.534 -3.942 136 HB ILE 18 HB ILE 18 -11.182 -2.255 -1.897 137 1HG1 ILE 18 1HG1 ILE 18 -8.175 -2.276 -2.156 138 2HG1 ILE 18 2HG1 ILE 18 -9.199 -1.080 -2.940 139 1HG2 ILE 18 1HG2 ILE 18 -9.173 -4.443 -1.377 140 2HG2 ILE 18 2HG2 ILE 18 -10.907 -4.490 -1.053 141 3HG2 ILE 18 3HG2 ILE 18 -9.868 -3.404 -0.132 142 1HD1 ILE 18 1HD1 ILE 18 -10.007 -0.341 -0.764 143 2HD1 ILE 18 2HD1 ILE 18 -8.251 -0.227 -0.872 144 3HD1 ILE 18 3HD1 ILE 18 -8.996 -1.551 0.026 145 H MET 19 H MET 19 -12.898 -3.755 -3.398 146 HA MET 19 HA MET 19 -12.952 -6.350 -2.381 147 1HB MET 19 1HB MET 19 -15.302 -6.402 -2.888 148 2HB MET 19 2HB MET 19 -14.863 -4.814 -2.280 149 1HG MET 19 1HG MET 19 -14.905 -3.919 -4.532 150 2HG MET 19 2HG MET 19 -15.278 -5.515 -5.175 151 1HE MET 19 1HE MET 19 -17.000 -2.936 -5.852 152 2HE MET 19 2HE MET 19 -18.639 -3.564 -5.691 153 3HE MET 19 3HE MET 19 -17.394 -4.541 -6.468 154 HA PRO 20 HA PRO 20 -13.556 -7.691 -7.159 155 1HB PRO 20 1HB PRO 20 -11.019 -6.298 -7.915 156 2HB PRO 20 2HB PRO 20 -12.436 -6.661 -8.906 157 1HG PRO 20 1HG PRO 20 -12.053 -4.207 -8.009 158 2HG PRO 20 2HG PRO 20 -13.680 -4.918 -7.995 159 1HD PRO 20 1HD PRO 20 -11.771 -4.505 -5.739 160 2HD PRO 20 2HD PRO 20 -13.536 -4.354 -5.763 161 H CYS 21 H CYS 21 -10.274 -7.006 -5.906 162 HA CYS 21 HA CYS 21 -9.337 -9.617 -6.621 163 1HB CYS 21 1HB CYS 21 -8.123 -7.345 -5.065 164 2HB CYS 21 2HB CYS 21 -7.299 -8.889 -5.266 165 H ALA 22 H ALA 22 -10.678 -8.166 -3.751 166 HA ALA 22 HA ALA 22 -9.804 -9.902 -1.780 167 1HB ALA 22 1HB ALA 22 -11.163 -7.914 -1.331 168 2HB ALA 22 2HB ALA 22 -11.858 -9.349 -0.576 169 3HB ALA 22 3HB ALA 22 -12.563 -8.704 -2.058 170 H ASP 23 H ASP 23 -12.398 -10.320 -4.139 171 HA ASP 23 HA ASP 23 -13.109 -12.926 -3.083 172 1HB ASP 23 1HB ASP 23 -14.856 -11.449 -3.998 173 2HB ASP 23 2HB ASP 23 -14.066 -11.486 -5.571 174 H GLU 24 H GLU 24 -10.890 -11.618 -5.272 175 HA GLU 24 HA GLU 24 -10.702 -13.613 -7.225 176 1HB GLU 24 1HB GLU 24 -9.619 -11.353 -7.287 177 2HB GLU 24 2HB GLU 24 -8.424 -11.953 -6.148 178 1HG GLU 24 1HG GLU 24 -7.766 -13.675 -7.771 179 2HG GLU 24 2HG GLU 24 -8.926 -13.010 -8.921 180 H LEU 25 H LEU 25 -8.718 -13.213 -4.258 181 HA LEU 25 HA LEU 25 -7.616 -15.881 -4.692 182 1HB LEU 25 1HB LEU 25 -7.093 -14.068 -2.345 183 2HB LEU 25 2HB LEU 25 -6.075 -15.361 -2.962 184 HG LEU 25 HG LEU 25 -6.600 -12.728 -4.349 185 1HD1 LEU 25 1HD1 LEU 25 -4.264 -12.246 -3.835 186 2HD1 LEU 25 2HD1 LEU 25 -4.138 -13.769 -2.954 187 3HD1 LEU 25 3HD1 LEU 25 -5.204 -12.495 -2.363 188 1HD2 LEU 25 1HD2 LEU 25 -6.241 -14.531 -5.943 189 2HD2 LEU 25 2HD2 LEU 25 -4.774 -15.008 -5.091 190 3HD2 LEU 25 3HD2 LEU 25 -4.854 -13.445 -5.902 191 H HIS 26 H HIS 26 -9.601 -14.176 -2.302 192 HA HIS 26 HA HIS 26 -11.156 -16.369 -1.604 193 1HB HIS 26 1HB HIS 26 -8.865 -17.099 -0.660 194 2HB HIS 26 2HB HIS 26 -9.128 -15.865 0.567 195 HD1 HIS 26 1HD HIS 26 -10.244 -19.243 -0.510 196 HD2 HIS 26 2HD HIS 26 -11.181 -16.451 2.421 197 HE1 HIS 26 1HE HIS 26 -11.682 -20.469 1.150 198 HE2 HIS 26 2HE HIS 26 -12.182 -18.776 2.950 199 H ILE 27 H ILE 27 -9.437 -13.826 0.146 200 HA ILE 27 HA ILE 27 -11.934 -12.404 0.680 201 HB ILE 27 HB ILE 27 -11.171 -12.161 3.097 202 1HG1 ILE 27 1HG1 ILE 27 -9.284 -14.270 2.084 203 2HG1 ILE 27 2HG1 ILE 27 -8.965 -12.899 3.142 204 1HG2 ILE 27 1HG2 ILE 27 -12.022 -14.902 2.168 205 2HG2 ILE 27 2HG2 ILE 27 -13.092 -13.521 2.394 206 3HG2 ILE 27 3HG2 ILE 27 -12.261 -14.227 3.778 207 1HD1 ILE 27 1HD1 ILE 27 -8.760 -14.911 4.408 208 2HD1 ILE 27 2HD1 ILE 27 -10.349 -15.464 3.883 209 3HD1 ILE 27 3HD1 ILE 27 -10.210 -14.062 4.946 210 H SER 28 H SER 28 -11.350 -10.324 2.000 211 HA SER 28 HA SER 28 -9.227 -8.990 0.556 212 1HB SER 28 1HB SER 28 -10.080 -6.940 1.650 213 2HB SER 28 2HB SER 28 -11.338 -7.814 0.777 214 HG SER 28 HG SER 28 -12.199 -7.336 2.736 215 H GLU 29 H GLU 29 -8.077 -7.218 1.988 216 HA GLU 29 HA GLU 29 -6.300 -8.624 3.685 217 1HB GLU 29 1HB GLU 29 -5.493 -6.733 2.447 218 2HB GLU 29 2HB GLU 29 -6.708 -5.679 3.155 219 1HG GLU 29 1HG GLU 29 -4.846 -7.014 5.020 220 2HG GLU 29 2HG GLU 29 -4.177 -5.755 3.983 221 H ASP 30 H ASP 30 -9.312 -7.095 4.205 222 HA ASP 30 HA ASP 30 -8.838 -6.763 7.072 223 1HB ASP 30 1HB ASP 30 -11.197 -5.837 7.050 224 2HB ASP 30 2HB ASP 30 -10.007 -4.926 6.126 225 H ILE 31 H ILE 31 -10.711 -8.730 4.841 226 HA ILE 31 HA ILE 31 -12.061 -10.147 6.972 227 HB ILE 31 HB ILE 31 -11.958 -10.836 4.032 228 1HG1 ILE 31 1HG1 ILE 31 -12.815 -8.554 4.386 229 2HG1 ILE 31 2HG1 ILE 31 -14.078 -9.638 3.817 230 1HG2 ILE 31 1HG2 ILE 31 -13.828 -11.671 6.243 231 2HG2 ILE 31 2HG2 ILE 31 -12.710 -12.697 5.343 232 3HG2 ILE 31 3HG2 ILE 31 -14.106 -11.988 4.530 233 1HD1 ILE 31 1HD1 ILE 31 -14.870 -8.128 5.563 234 2HD1 ILE 31 2HD1 ILE 31 -13.669 -8.787 6.674 235 3HD1 ILE 31 3HD1 ILE 31 -14.965 -9.816 6.066 236 H ALA 32 H ALA 32 -9.025 -10.208 5.662 237 HA ALA 32 HA ALA 32 -8.289 -12.795 5.210 238 1HB ALA 32 1HB ALA 32 -6.688 -10.754 6.745 239 2HB ALA 32 2HB ALA 32 -6.775 -10.888 4.987 240 3HB ALA 32 3HB ALA 32 -6.048 -12.184 5.937 241 H THR 33 H THR 33 -8.219 -11.210 8.417 242 HA THR 33 HA THR 33 -8.933 -13.733 9.664 243 HB THR 33 HB THR 33 -6.528 -13.966 9.602 244 HG1 THR 33 1HG THR 33 -7.533 -14.657 11.521 245 1HG2 THR 33 1HG2 THR 33 -5.043 -12.348 10.690 246 2HG2 THR 33 2HG2 THR 33 -6.421 -11.299 11.018 247 3HG2 THR 33 3HG2 THR 33 -5.922 -11.605 9.354 248 H ASN 34 H ASN 34 -8.185 -10.321 9.961 249 HA ASN 34 HA ASN 34 -8.771 -8.716 11.468 250 1HB ASN 34 1HB ASN 34 -11.162 -8.542 11.872 251 2HB ASN 34 2HB ASN 34 -10.867 -9.055 10.214 252 1HD2 ASN 34 1HD2 ASN 34 -11.961 -10.047 13.372 253 2HD2 ASN 34 2HD2 ASN 34 -12.775 -11.481 12.855 254 H ILE 35 H ILE 35 -7.648 -11.219 12.640 255 HA ILE 35 HA ILE 35 -8.508 -10.689 15.392 256 HB ILE 35 HB ILE 35 -8.210 -13.454 14.213 257 1HG1 ILE 35 1HG1 ILE 35 -10.604 -12.180 15.549 258 2HG1 ILE 35 2HG1 ILE 35 -10.374 -12.226 13.804 259 1HG2 ILE 35 1HG2 ILE 35 -8.777 -14.261 16.475 260 2HG2 ILE 35 2HG2 ILE 35 -8.670 -12.603 17.070 261 3HG2 ILE 35 3HG2 ILE 35 -7.237 -13.405 16.427 262 1HD1 ILE 35 1HD1 ILE 35 -10.613 -14.618 15.614 263 2HD1 ILE 35 2HD1 ILE 35 -10.396 -14.663 13.864 264 3HD1 ILE 35 3HD1 ILE 35 -11.870 -13.985 14.552 265 H GLN 36 H GLN 36 -6.070 -12.000 13.207 266 HA GLN 36 HA GLN 36 -4.082 -11.961 15.347 267 1HB GLN 36 1HB GLN 36 -4.002 -13.066 12.538 268 2HB GLN 36 2HB GLN 36 -2.586 -12.970 13.573 269 1HG GLN 36 1HG GLN 36 -3.203 -15.094 14.026 270 2HG GLN 36 2HG GLN 36 -4.176 -14.269 15.243 271 1HE2 GLN 36 1HE2 GLN 36 -6.396 -14.071 14.933 272 2HE2 GLN 36 2HE2 GLN 36 -7.253 -15.052 13.798 273 H ALA 37 H ALA 37 -3.561 -9.880 15.650 274 HA ALA 37 HA ALA 37 -3.247 -8.011 13.518 275 1HB ALA 37 1HB ALA 37 -4.003 -7.411 15.790 276 2HB ALA 37 2HB ALA 37 -2.643 -6.439 15.225 277 3HB ALA 37 3HB ALA 37 -2.376 -7.743 16.385 278 H ALA 38 H ALA 38 -0.892 -9.252 15.902 279 HA ALA 38 HA ALA 38 1.361 -9.543 15.804 280 1HB ALA 38 1HB ALA 38 0.836 -9.975 12.865 281 2HB ALA 38 2HB ALA 38 0.730 -11.207 14.121 282 3HB ALA 38 3HB ALA 38 2.285 -10.462 13.747 283 H LYS 39 H LYS 39 1.344 -8.290 12.523 284 HA LYS 39 HA LYS 39 2.922 -5.997 13.460 285 1HB LYS 39 1HB LYS 39 3.557 -7.788 11.554 286 2HB LYS 39 2HB LYS 39 2.717 -6.602 10.565 287 1HG LYS 39 1HG LYS 39 5.074 -6.039 12.354 288 2HG LYS 39 2HG LYS 39 5.126 -6.220 10.599 289 1HD LYS 39 1HD LYS 39 3.540 -4.295 10.434 290 2HD LYS 39 2HD LYS 39 3.712 -4.071 12.175 291 1HE LYS 39 1HE LYS 39 5.884 -3.879 10.093 292 2HE LYS 39 2HE LYS 39 5.190 -2.555 11.029 293 1HZ LYS 39 1HZ LYS 39 6.759 -4.825 12.129 294 2HZ LYS 39 2HZ LYS 39 6.077 -3.575 13.042 295 3HZ LYS 39 3HZ LYS 39 7.312 -3.237 11.936 296 H ASN 40 H ASN 40 0.588 -6.706 10.868 297 HA ASN 40 HA ASN 40 -0.635 -4.072 11.360 298 1HB ASN 40 1HB ASN 40 -1.173 -4.599 8.709 299 2HB ASN 40 2HB ASN 40 0.087 -3.522 9.305 300 1HD2 ASN 40 1HD2 ASN 40 -0.616 -6.714 8.093 301 2HD2 ASN 40 2HD2 ASN 40 1.010 -7.132 7.687 302 H GLY 41 H GLY 41 -1.081 -7.446 10.879 303 1HA GLY 41 1HA GLY 41 -3.111 -8.439 11.750 304 2HA GLY 41 2HA GLY 41 -3.997 -7.069 11.102 305 H ALA 42 H ALA 42 -2.129 -7.396 8.645 306 HA ALA 42 HA ALA 42 -3.929 -9.174 7.223 307 1HB ALA 42 1HB ALA 42 -1.592 -7.648 6.101 308 2HB ALA 42 2HB ALA 42 -3.200 -6.955 6.314 309 3HB ALA 42 3HB ALA 42 -2.965 -8.320 5.222 310 H ASP 43 H ASP 43 -1.266 -9.633 9.032 311 HA ASP 43 HA ASP 43 0.145 -11.382 9.340 312 1HB ASP 43 1HB ASP 43 -1.821 -12.766 8.629 313 2HB ASP 43 2HB ASP 43 -1.208 -12.699 6.979 314 H MET 44 H MET 44 0.081 -9.435 6.704 315 HA MET 44 HA MET 44 1.603 -8.739 5.180 316 1HB MET 44 1HB MET 44 3.678 -8.514 6.002 317 2HB MET 44 2HB MET 44 3.041 -9.304 7.435 318 1HG MET 44 1HG MET 44 3.813 -11.470 6.538 319 2HG MET 44 2HG MET 44 4.523 -10.619 5.167 320 1HE MET 44 1HE MET 44 6.857 -11.772 5.695 321 2HE MET 44 2HE MET 44 6.164 -12.602 7.088 322 3HE MET 44 3HE MET 44 7.662 -11.687 7.262 323 H SER 45 H SER 45 0.687 -11.906 5.419 324 HA SER 45 HA SER 45 2.436 -13.038 3.438 325 1HB SER 45 1HB SER 45 0.903 -14.977 3.528 326 2HB SER 45 2HB SER 45 1.425 -14.477 5.136 327 HG SER 45 HG SER 45 -0.758 -14.764 5.252 328 H GLN 46 H GLN 46 -1.067 -12.322 3.456 329 HA GLN 46 HA GLN 46 -1.077 -12.386 0.556 330 1HB GLN 46 1HB GLN 46 -3.267 -12.119 2.597 331 2HB GLN 46 2HB GLN 46 -3.557 -11.934 0.872 332 1HG GLN 46 1HG GLN 46 -2.688 -14.376 2.373 333 2HG GLN 46 2HG GLN 46 -4.108 -14.147 1.357 334 1HE2 GLN 46 1HE2 GLN 46 -2.633 -12.818 -0.769 335 2HE2 GLN 46 2HE2 GLN 46 -1.711 -14.042 -1.571 336 H LEU 47 H LEU 47 -0.659 -10.084 2.991 337 HA LEU 47 HA LEU 47 -1.911 -7.827 1.892 338 1HB LEU 47 1HB LEU 47 -0.650 -8.206 4.177 339 2HB LEU 47 2HB LEU 47 0.736 -7.620 3.284 340 HG LEU 47 HG LEU 47 -1.834 -6.087 3.698 341 1HD1 LEU 47 1HD1 LEU 47 0.882 -5.704 4.950 342 2HD1 LEU 47 2HD1 LEU 47 -0.536 -6.365 5.764 343 3HD1 LEU 47 3HD1 LEU 47 -0.539 -4.694 5.205 344 1HD2 LEU 47 1HD2 LEU 47 -0.802 -5.433 1.631 345 2HD2 LEU 47 2HD2 LEU 47 0.776 -5.325 2.401 346 3HD2 LEU 47 3HD2 LEU 47 -0.495 -4.182 2.833 347 H GLY 48 H GLY 48 1.294 -9.208 1.369 348 1HA GLY 48 1HA GLY 48 2.140 -7.169 -0.441 349 2HA GLY 48 2HA GLY 48 2.910 -8.732 -0.197 350 H CYS 49 H CYS 49 -0.356 -9.112 -0.844 351 HA CYS 49 HA CYS 49 0.027 -9.286 -3.736 352 1HB CYS 49 1HB CYS 49 -0.458 -11.510 -1.872 353 2HB CYS 49 2HB CYS 49 -1.478 -11.494 -3.304 354 H LEU 50 H LEU 50 -2.548 -10.502 -1.652 355 HA LEU 50 HA LEU 50 -4.692 -9.627 -3.121 356 1HB LEU 50 1HB LEU 50 -4.670 -11.130 -1.078 357 2HB LEU 50 2HB LEU 50 -4.616 -9.680 -0.105 358 HG LEU 50 HG LEU 50 -6.885 -10.731 -0.337 359 1HD1 LEU 50 1HD1 LEU 50 -6.645 -7.908 -1.366 360 2HD1 LEU 50 2HD1 LEU 50 -6.587 -8.389 0.329 361 3HD1 LEU 50 3HD1 LEU 50 -8.060 -8.633 -0.606 362 1HD2 LEU 50 1HD2 LEU 50 -8.121 -10.330 -2.408 363 2HD2 LEU 50 2HD2 LEU 50 -6.743 -11.396 -2.672 364 3HD2 LEU 50 3HD2 LEU 50 -6.656 -9.707 -3.163 365 H LYS 51 H LYS 51 -3.174 -7.956 -0.377 366 HA LYS 51 HA LYS 51 -4.693 -5.571 -0.788 367 1HB LYS 51 1HB LYS 51 -3.175 -6.565 1.280 368 2HB LYS 51 2HB LYS 51 -2.142 -5.294 0.643 369 1HG LYS 51 1HG LYS 51 -5.005 -4.923 1.492 370 2HG LYS 51 2HG LYS 51 -3.592 -4.525 2.471 371 1HD LYS 51 1HD LYS 51 -2.891 -2.864 0.889 372 2HD LYS 51 2HD LYS 51 -4.147 -3.352 -0.250 373 1HE LYS 51 1HE LYS 51 -5.852 -2.685 1.426 374 2HE LYS 51 2HE LYS 51 -4.554 -2.085 2.456 375 1HZ LYS 51 1HZ LYS 51 -3.948 -0.515 0.735 376 2HZ LYS 51 2HZ LYS 51 -5.574 -0.314 1.155 377 3HZ LYS 51 3HZ LYS 51 -5.164 -1.108 -0.282 378 H ALA 52 H ALA 52 -1.801 -6.949 -2.080 379 HA ALA 52 HA ALA 52 -0.645 -4.477 -2.997 380 1HB ALA 52 1HB ALA 52 -0.065 -7.284 -3.932 381 2HB ALA 52 2HB ALA 52 0.712 -6.495 -2.559 382 3HB ALA 52 3HB ALA 52 0.937 -5.856 -4.187 383 H CYS 53 H CYS 53 -3.266 -6.332 -3.953 384 HA CYS 53 HA CYS 53 -3.181 -6.146 -6.747 385 1HB CYS 53 1HB CYS 53 -4.863 -7.549 -5.957 386 2HB CYS 53 2HB CYS 53 -5.392 -6.396 -4.736 387 H VAL 54 H VAL 54 -4.155 -3.901 -4.249 388 HA VAL 54 HA VAL 54 -5.388 -1.954 -5.856 389 HB VAL 54 HB VAL 54 -3.787 -1.444 -3.340 390 1HG1 VAL 54 1HG1 VAL 54 -5.287 0.483 -3.081 391 2HG1 VAL 54 2HG1 VAL 54 -6.035 0.100 -4.633 392 3HG1 VAL 54 3HG1 VAL 54 -4.338 0.580 -4.565 393 1HG2 VAL 54 1HG2 VAL 54 -5.392 -3.162 -2.857 394 2HG2 VAL 54 2HG2 VAL 54 -6.668 -2.267 -3.682 395 3HG2 VAL 54 3HG2 VAL 54 -5.983 -1.644 -2.181 396 H MET 55 H MET 55 -2.060 -2.737 -5.257 397 HA MET 55 HA MET 55 -0.868 -0.341 -6.155 398 1HB MET 55 1HB MET 55 0.322 -3.099 -6.413 399 2HB MET 55 2HB MET 55 1.171 -1.579 -6.252 400 1HG MET 55 1HG MET 55 0.332 -1.340 -3.971 401 2HG MET 55 2HG MET 55 -0.511 -2.881 -4.129 402 1HE MET 55 1HE MET 55 0.635 -3.686 -1.918 403 2HE MET 55 2HE MET 55 1.609 -2.227 -1.738 404 3HE MET 55 3HE MET 55 2.377 -3.813 -1.675 405 H LYS 56 H LYS 56 -1.567 -3.407 -7.797 406 HA LYS 56 HA LYS 56 -0.628 -2.632 -10.339 407 1HB LYS 56 1HB LYS 56 -2.827 -4.633 -9.816 408 2HB LYS 56 2HB LYS 56 -1.716 -4.591 -11.178 409 1HG LYS 56 1HG LYS 56 0.143 -5.053 -9.592 410 2HG LYS 56 2HG LYS 56 -1.057 -5.252 -8.318 411 1HD LYS 56 1HD LYS 56 -1.258 -6.810 -10.862 412 2HD LYS 56 2HD LYS 56 -0.167 -7.333 -9.579 413 1HE LYS 56 1HE LYS 56 -2.143 -8.484 -9.166 414 2HE LYS 56 2HE LYS 56 -2.185 -7.141 -8.030 415 1HZ LYS 56 1HZ LYS 56 -4.317 -7.503 -9.161 416 2HZ LYS 56 2HZ LYS 56 -3.583 -7.182 -10.651 417 3HZ LYS 56 3HZ LYS 56 -3.681 -5.968 -9.477 418 H ARG 57 H ARG 57 -3.608 -2.058 -8.657 419 HA ARG 57 HA ARG 57 -5.186 -1.386 -10.930 420 1HB ARG 57 1HB ARG 57 -5.519 -0.686 -8.009 421 2HB ARG 57 2HB ARG 57 -6.725 -0.374 -9.250 422 1HG ARG 57 1HG ARG 57 -5.712 -3.150 -8.943 423 2HG ARG 57 2HG ARG 57 -6.822 -2.521 -7.725 424 1HD ARG 57 1HD ARG 57 -7.929 -3.745 -9.599 425 2HD ARG 57 2HD ARG 57 -8.501 -2.094 -9.374 426 HE ARG 57 HE ARG 57 -6.450 -2.653 -11.396 427 1HH1 ARG 57 1HH1 ARG 57 -9.685 -1.650 -10.571 428 2HH1 ARG 57 2HH1 ARG 57 -10.038 -1.042 -12.153 429 1HH2 ARG 57 1HH2 ARG 57 -6.910 -1.856 -13.484 430 2HH2 ARG 57 2HH2 ARG 57 -8.462 -1.161 -13.809 431 H ILE 58 H ILE 58 -2.974 0.387 -8.877 432 HA ILE 58 HA ILE 58 -3.747 2.915 -10.129 433 HB ILE 58 HB ILE 58 -2.272 4.004 -8.522 434 1HG1 ILE 58 1HG1 ILE 58 -1.734 1.239 -7.416 435 2HG1 ILE 58 2HG1 ILE 58 -0.594 2.153 -8.398 436 1HG2 ILE 58 1HG2 ILE 58 -4.577 3.565 -7.878 437 2HG2 ILE 58 2HG2 ILE 58 -3.510 3.458 -6.478 438 3HG2 ILE 58 3HG2 ILE 58 -4.114 1.988 -7.240 439 1HD1 ILE 58 1HD1 ILE 58 -0.061 2.317 -6.036 440 2HD1 ILE 58 2HD1 ILE 58 -1.663 2.978 -5.707 441 3HD1 ILE 58 3HD1 ILE 58 -0.517 3.891 -6.689 442 H GLU 59 H GLU 59 -2.107 0.560 -11.284 443 HA GLU 59 HA GLU 59 -0.408 0.269 -12.765 444 1HB GLU 59 1HB GLU 59 -0.581 3.278 -12.998 445 2HB GLU 59 2HB GLU 59 0.247 2.213 -14.125 446 1HG GLU 59 1HG GLU 59 -1.880 1.135 -14.667 447 2HG GLU 59 2HG GLU 59 -2.706 2.215 -13.544 448 H MET 60 H MET 60 0.432 0.232 -10.148 449 HA MET 60 HA MET 60 3.059 1.559 -10.331 450 1HB MET 60 1HB MET 60 3.068 2.057 -8.074 451 2HB MET 60 2HB MET 60 1.375 2.295 -8.472 452 1HG MET 60 1HG MET 60 1.134 1.078 -6.586 453 2HG MET 60 2HG MET 60 1.236 -0.243 -7.747 454 1HE MET 60 1HE MET 60 4.113 2.110 -6.424 455 2HE MET 60 2HE MET 60 4.737 1.150 -5.082 456 3HE MET 60 3HE MET 60 3.110 1.826 -5.002 457 H LEU 61 H LEU 61 1.418 -1.326 -10.334 458 HA LEU 61 HA LEU 61 3.884 -2.814 -9.844 459 1HB LEU 61 1HB LEU 61 2.667 -2.993 -7.764 460 2HB LEU 61 2HB LEU 61 1.203 -3.448 -8.615 461 HG LEU 61 HG LEU 61 2.268 -5.554 -9.320 462 1HD1 LEU 61 1HD1 LEU 61 4.589 -4.805 -9.356 463 2HD1 LEU 61 2HD1 LEU 61 4.399 -6.233 -8.339 464 3HD1 LEU 61 3HD1 LEU 61 4.572 -4.641 -7.601 465 1HD2 LEU 61 1HD2 LEU 61 2.277 -6.633 -7.131 466 2HD2 LEU 61 2HD2 LEU 61 0.945 -5.484 -7.269 467 3HD2 LEU 61 3HD2 LEU 61 2.389 -5.058 -6.347 468 H LYS 62 H LYS 62 4.199 -3.403 -11.923 469 HA LYS 62 HA LYS 62 1.974 -4.533 -13.439 470 1HB LYS 62 1HB LYS 62 4.803 -3.968 -14.342 471 2HB LYS 62 2HB LYS 62 3.438 -4.378 -15.370 472 1HG LYS 62 1HG LYS 62 3.786 -1.865 -13.759 473 2HG LYS 62 2HG LYS 62 3.871 -2.025 -15.514 474 1HD LYS 62 1HD LYS 62 1.433 -2.538 -13.810 475 2HD LYS 62 2HD LYS 62 1.725 -1.105 -14.789 476 1HE LYS 62 1HE LYS 62 1.726 -2.448 -16.808 477 2HE LYS 62 2HE LYS 62 1.518 -3.915 -15.853 478 1HZ LYS 62 1HZ LYS 62 -0.572 -3.158 -16.806 479 2HZ LYS 62 2HZ LYS 62 -0.425 -1.674 -16.008 480 3HZ LYS 62 3HZ LYS 62 -0.625 -3.097 -15.116 481 H GLY 63 H GLY 63 1.884 -6.430 -12.052 482 1HA GLY 63 1HA GLY 63 2.183 -8.722 -11.916 483 2HA GLY 63 2HA GLY 63 3.435 -8.590 -13.145 484 H THR 64 H THR 64 5.429 -7.328 -12.280 485 HA THR 64 HA THR 64 6.029 -7.913 -9.502 486 HB THR 64 HB THR 64 8.154 -9.051 -10.082 487 HG1 THR 64 1HG THR 64 7.471 -9.842 -12.572 488 1HG2 THR 64 1HG2 THR 64 6.167 -10.377 -9.494 489 2HG2 THR 64 2HG2 THR 64 7.192 -11.217 -10.658 490 3HG2 THR 64 3HG2 THR 64 5.708 -10.430 -11.195 491 H GLU 65 H GLU 65 5.834 -5.636 -11.596 492 HA GLU 65 HA GLU 65 8.507 -4.475 -11.171 493 1HB GLU 65 1HB GLU 65 7.181 -4.704 -13.495 494 2HB GLU 65 2HB GLU 65 6.566 -3.142 -12.970 495 1HG GLU 65 1HG GLU 65 9.454 -3.897 -13.370 496 2HG GLU 65 2HG GLU 65 8.485 -2.850 -14.403 497 H LEU 66 H LEU 66 8.591 -3.224 -9.420 498 HA LEU 66 HA LEU 66 6.246 -1.814 -8.472 499 1HB LEU 66 1HB LEU 66 9.087 -1.857 -7.446 500 2HB LEU 66 2HB LEU 66 7.757 -1.018 -6.668 501 HG LEU 66 HG LEU 66 7.869 -4.003 -7.100 502 1HD1 LEU 66 1HD1 LEU 66 8.269 -4.107 -4.673 503 2HD1 LEU 66 2HD1 LEU 66 8.427 -2.350 -4.641 504 3HD1 LEU 66 3HD1 LEU 66 9.588 -3.323 -5.542 505 1HD2 LEU 66 1HD2 LEU 66 5.602 -3.175 -6.995 506 2HD2 LEU 66 2HD2 LEU 66 5.977 -2.242 -5.547 507 3HD2 LEU 66 3HD2 LEU 66 5.996 -4.003 -5.489 508 H TYR 67 H TYR 67 5.879 0.348 -8.549 509 HA TYR 67 HA TYR 67 7.758 1.937 -10.164 510 1HB TYR 67 1HB TYR 67 4.758 2.019 -9.921 511 2HB TYR 67 2HB TYR 67 5.662 3.394 -10.547 512 HD1 TYR 67 1HD TYR 67 5.781 -0.313 -11.060 513 HD2 TYR 67 2HD TYR 67 5.572 3.541 -12.850 514 HE1 TYR 67 1HE TYR 67 5.790 -1.352 -13.289 515 HE2 TYR 67 2HE TYR 67 5.580 2.514 -15.083 516 HH TYR 67 HH TYR 67 6.311 0.402 -16.136 517 H VAL 68 H VAL 68 6.940 4.465 -9.662 518 HA VAL 68 HA VAL 68 6.820 4.853 -6.784 519 HB VAL 68 HB VAL 68 9.239 4.577 -7.354 520 1HG1 VAL 68 1HG1 VAL 68 10.377 6.396 -8.534 521 2HG1 VAL 68 2HG1 VAL 68 8.819 7.151 -8.872 522 3HG1 VAL 68 3HG1 VAL 68 9.210 5.580 -9.573 523 1HG2 VAL 68 1HG2 VAL 68 8.416 7.295 -6.340 524 2HG2 VAL 68 2HG2 VAL 68 9.988 6.536 -6.091 525 3HG2 VAL 68 3HG2 VAL 68 8.541 5.819 -5.380 526 H GLU 69 H GLU 69 6.304 5.903 -9.974 527 HA GLU 69 HA GLU 69 5.958 8.686 -9.453 528 1HB GLU 69 1HB GLU 69 4.999 6.974 -11.748 529 2HB GLU 69 2HB GLU 69 4.871 8.727 -11.693 530 1HG GLU 69 1HG GLU 69 7.320 8.878 -11.534 531 2HG GLU 69 2HG GLU 69 7.417 7.123 -11.668 532 HA PRO 70 HA PRO 70 1.179 7.348 -9.619 533 1HB PRO 70 1HB PRO 70 1.556 4.807 -8.116 534 2HB PRO 70 2HB PRO 70 0.391 5.203 -9.385 535 1HG PRO 70 1HG PRO 70 2.509 3.670 -9.899 536 2HG PRO 70 2HG PRO 70 1.922 4.851 -11.085 537 1HD PRO 70 1HD PRO 70 4.302 4.977 -9.296 538 2HD PRO 70 2HD PRO 70 4.091 5.604 -10.942 539 H VAL 71 H VAL 71 3.069 5.986 -6.914 540 HA VAL 71 HA VAL 71 1.385 6.771 -4.843 541 HB VAL 71 HB VAL 71 4.393 6.630 -4.643 542 1HG1 VAL 71 1HG1 VAL 71 3.975 5.980 -2.342 543 2HG1 VAL 71 2HG1 VAL 71 2.235 6.076 -2.610 544 3HG1 VAL 71 3HG1 VAL 71 3.222 7.536 -2.683 545 1HG2 VAL 71 1HG2 VAL 71 2.377 4.389 -4.508 546 2HG2 VAL 71 2HG2 VAL 71 4.094 4.247 -4.131 547 3HG2 VAL 71 3HG2 VAL 71 3.583 4.637 -5.772 548 H TYR 72 H TYR 72 4.106 8.541 -6.288 549 HA TYR 72 HA TYR 72 4.165 10.703 -4.545 550 1HB TYR 72 1HB TYR 72 4.847 10.442 -7.462 551 2HB TYR 72 2HB TYR 72 5.003 11.981 -6.629 552 HD1 TYR 72 1HD TYR 72 7.410 11.921 -7.234 553 HD2 TYR 72 2HD TYR 72 5.682 8.984 -4.682 554 HE1 TYR 72 1HE TYR 72 9.652 11.286 -6.453 555 HE2 TYR 72 2HE TYR 72 7.921 8.346 -3.895 556 HH TYR 72 HH TYR 72 10.243 8.462 -4.657 557 H LYS 73 H LYS 73 1.841 9.877 -6.955 558 HA LYS 73 HA LYS 73 0.700 12.535 -7.088 559 1HB LYS 73 1HB LYS 73 0.706 11.056 -9.069 560 2HB LYS 73 2HB LYS 73 -0.336 9.928 -8.214 561 1HG LYS 73 1HG LYS 73 -1.686 11.219 -9.693 562 2HG LYS 73 2HG LYS 73 -2.044 11.725 -8.041 563 1HD LYS 73 1HD LYS 73 -0.356 13.589 -8.405 564 2HD LYS 73 2HD LYS 73 -0.403 13.160 -10.115 565 1HE LYS 73 1HE LYS 73 -2.731 14.048 -8.418 566 2HE LYS 73 2HE LYS 73 -1.924 14.994 -9.667 567 1HZ LYS 73 1HZ LYS 73 -2.657 13.402 -11.316 568 2HZ LYS 73 2HZ LYS 73 -3.988 14.007 -10.466 569 3HZ LYS 73 3HZ LYS 73 -3.401 12.457 -10.125 570 H MET 74 H MET 74 0.039 9.474 -5.485 571 HA MET 74 HA MET 74 -2.571 10.170 -4.590 572 1HB MET 74 1HB MET 74 -0.809 8.165 -3.213 573 2HB MET 74 2HB MET 74 -2.554 8.142 -3.417 574 1HG MET 74 1HG MET 74 -2.108 7.868 -5.899 575 2HG MET 74 2HG MET 74 -0.436 7.546 -5.450 576 1HE MET 74 1HE MET 74 -0.757 4.313 -3.287 577 2HE MET 74 2HE MET 74 -0.671 5.991 -2.756 578 3HE MET 74 3HE MET 74 0.361 5.431 -4.072 579 H ILE 75 H ILE 75 0.610 10.041 -3.018 580 HA ILE 75 HA ILE 75 -0.055 10.848 -0.480 581 HB ILE 75 HB ILE 75 2.407 11.703 -2.009 582 1HG1 ILE 75 1HG1 ILE 75 1.994 9.289 -0.233 583 2HG1 ILE 75 2HG1 ILE 75 1.978 9.240 -1.991 584 1HG2 ILE 75 1HG2 ILE 75 1.956 11.446 0.961 585 2HG2 ILE 75 2HG2 ILE 75 2.053 12.962 0.067 586 3HG2 ILE 75 3HG2 ILE 75 3.462 11.908 0.170 587 1HD1 ILE 75 1HD1 ILE 75 4.116 8.511 -1.120 588 2HD1 ILE 75 2HD1 ILE 75 4.307 10.043 -0.264 589 3HD1 ILE 75 3HD1 ILE 75 4.296 10.014 -2.028 590 H GLU 76 H GLU 76 -0.173 12.717 -3.380 591 HA GLU 76 HA GLU 76 0.086 15.302 -2.269 592 1HB GLU 76 1HB GLU 76 -1.278 14.307 -4.765 593 2HB GLU 76 2HB GLU 76 -1.216 16.013 -4.339 594 1HG GLU 76 1HG GLU 76 1.263 15.845 -4.298 595 2HG GLU 76 2HG GLU 76 1.113 14.196 -4.903 596 H VAL 77 H VAL 77 -2.901 13.596 -3.263 597 HA VAL 77 HA VAL 77 -4.520 15.468 -1.757 598 HB VAL 77 HB VAL 77 -5.372 12.964 -3.223 599 1HG1 VAL 77 1HG1 VAL 77 -7.601 13.997 -3.198 600 2HG1 VAL 77 2HG1 VAL 77 -6.966 15.315 -2.213 601 3HG1 VAL 77 3HG1 VAL 77 -7.001 13.674 -1.570 602 1HG2 VAL 77 1HG2 VAL 77 -4.300 14.544 -4.737 603 2HG2 VAL 77 2HG2 VAL 77 -5.352 15.834 -4.152 604 3HG2 VAL 77 3HG2 VAL 77 -6.037 14.470 -5.038 605 H VAL 78 H VAL 78 -3.356 12.199 -1.474 606 HA VAL 78 HA VAL 78 -4.992 11.276 0.598 607 HB VAL 78 HB VAL 78 -2.210 10.508 -0.302 608 1HG1 VAL 78 1HG1 VAL 78 -2.369 8.529 1.149 609 2HG1 VAL 78 2HG1 VAL 78 -3.844 9.172 1.865 610 3HG1 VAL 78 3HG1 VAL 78 -2.316 10.018 2.090 611 1HG2 VAL 78 1HG2 VAL 78 -3.352 8.499 -1.094 612 2HG2 VAL 78 2HG2 VAL 78 -4.060 9.959 -1.786 613 3HG2 VAL 78 3HG2 VAL 78 -4.881 9.117 -0.472 614 H HIS 79 H HIS 79 -2.697 13.727 0.617 615 HA HIS 79 HA HIS 79 -2.732 13.816 3.536 616 1HB HIS 79 1HB HIS 79 -0.251 14.058 1.828 617 2HB HIS 79 2HB HIS 79 -0.326 14.562 3.512 618 HD1 HIS 79 1HD HIS 79 -0.357 12.718 5.302 619 HD2 HIS 79 2HD HIS 79 -0.201 11.282 1.406 620 HE1 HIS 79 1HE HIS 79 0.205 10.277 5.509 621 HE2 HIS 79 2HE HIS 79 0.371 9.445 3.136 622 H ALA 80 H ALA 80 -4.444 15.300 2.204 623 HA ALA 80 HA ALA 80 -3.455 17.815 1.313 624 1HB ALA 80 1HB ALA 80 -5.790 18.512 1.305 625 2HB ALA 80 2HB ALA 80 -6.236 17.068 2.211 626 3HB ALA 80 3HB ALA 80 -5.607 16.919 0.571 627 H GLY 81 H GLY 81 -2.417 19.159 2.639 628 1HA GLY 81 1HA GLY 81 -3.574 20.625 4.639 629 2HA GLY 81 2HA GLY 81 -2.898 19.229 5.468 630 H ASN 82 H ASN 82 -0.547 18.758 4.819 631 HA ASN 82 HA ASN 82 0.915 21.310 4.870 632 1HB ASN 82 1HB ASN 82 1.694 18.575 5.895 633 2HB ASN 82 2HB ASN 82 2.765 19.970 5.893 634 1HD2 ASN 82 1HD2 ASN 82 2.981 20.019 8.088 635 2HD2 ASN 82 2HD2 ASN 82 1.704 20.497 9.146 636 H ALA 83 H ALA 83 2.885 21.496 3.681 637 HA ALA 83 HA ALA 83 2.742 20.206 1.106 638 1HB ALA 83 1HB ALA 83 3.245 22.597 1.299 639 2HB ALA 83 2HB ALA 83 4.525 21.721 0.461 640 3HB ALA 83 3HB ALA 83 4.745 22.208 2.143 641 H ASP 84 H ASP 84 5.119 20.306 3.770 642 HA ASP 84 HA ASP 84 6.913 18.535 2.438 643 1HB ASP 84 1HB ASP 84 6.817 19.154 5.393 644 2HB ASP 84 2HB ASP 84 8.173 18.485 4.483 645 H ASP 85 H ASP 85 4.153 18.116 4.513 646 HA ASP 85 HA ASP 85 4.642 15.529 5.462 647 1HB ASP 85 1HB ASP 85 2.722 16.973 6.167 648 2HB ASP 85 2HB ASP 85 1.959 16.657 4.612 649 H ILE 86 H ILE 86 3.589 16.738 2.380 650 HA ILE 86 HA ILE 86 2.935 14.187 1.256 651 HB ILE 86 HB ILE 86 3.519 16.846 -0.076 652 1HG1 ILE 86 1HG1 ILE 86 0.866 15.475 0.406 653 2HG1 ILE 86 2HG1 ILE 86 1.521 16.735 1.445 654 1HG2 ILE 86 1HG2 ILE 86 2.345 14.318 -1.236 655 2HG2 ILE 86 2HG2 ILE 86 3.917 15.017 -1.625 656 3HG2 ILE 86 3HG2 ILE 86 2.438 15.873 -2.062 657 1HD1 ILE 86 1HD1 ILE 86 -0.130 17.600 -0.130 658 2HD1 ILE 86 2HD1 ILE 86 0.870 17.050 -1.476 659 3HD1 ILE 86 3HD1 ILE 86 1.462 18.311 -0.394 660 H GLN 87 H GLN 87 5.741 16.196 1.588 661 HA GLN 87 HA GLN 87 7.363 14.711 -0.268 662 1HB GLN 87 1HB GLN 87 8.095 16.816 1.768 663 2HB GLN 87 2HB GLN 87 9.204 16.138 0.585 664 1HG GLN 87 1HG GLN 87 7.611 16.969 -1.187 665 2HG GLN 87 2HG GLN 87 6.792 17.848 0.101 666 1HE2 GLN 87 1HE2 GLN 87 10.243 17.334 0.022 667 2HE2 GLN 87 2HE2 GLN 87 10.680 18.980 -0.267 668 H LEU 88 H LEU 88 6.442 14.465 2.999 669 HA LEU 88 HA LEU 88 8.727 13.101 4.009 670 1HB LEU 88 1HB LEU 88 6.806 14.332 5.261 671 2HB LEU 88 2HB LEU 88 5.956 12.807 5.128 672 HG LEU 88 HG LEU 88 7.061 13.093 7.310 673 1HD1 LEU 88 1HD1 LEU 88 8.116 10.926 7.425 674 2HD1 LEU 88 2HD1 LEU 88 8.309 10.893 5.673 675 3HD1 LEU 88 3HD1 LEU 88 6.696 10.843 6.384 676 1HD2 LEU 88 1HD2 LEU 88 9.475 13.059 7.495 677 2HD2 LEU 88 2HD2 LEU 88 8.959 14.441 6.527 678 3HD2 LEU 88 3HD2 LEU 88 9.632 13.013 5.739 679 H VAL 89 H VAL 89 5.436 11.910 3.300 680 HA VAL 89 HA VAL 89 6.038 9.188 3.485 681 HB VAL 89 HB VAL 89 3.940 10.393 1.679 682 1HG1 VAL 89 1HG1 VAL 89 4.071 7.732 3.091 683 2HG1 VAL 89 2HG1 VAL 89 4.327 8.001 1.367 684 3HG1 VAL 89 3HG1 VAL 89 2.744 8.307 2.082 685 1HG2 VAL 89 1HG2 VAL 89 3.790 9.774 4.627 686 2HG2 VAL 89 2HG2 VAL 89 2.421 10.219 3.609 687 3HG2 VAL 89 3HG2 VAL 89 3.727 11.373 3.884 688 H LYS 90 H LYS 90 6.463 11.464 0.887 689 HA LYS 90 HA LYS 90 6.763 9.711 -1.273 690 1HB LYS 90 1HB LYS 90 7.272 12.500 -0.696 691 2HB LYS 90 2HB LYS 90 8.539 11.830 -1.713 692 1HG LYS 90 1HG LYS 90 7.111 11.427 -3.464 693 2HG LYS 90 2HG LYS 90 5.692 11.328 -2.424 694 1HD LYS 90 1HD LYS 90 5.416 13.594 -2.346 695 2HD LYS 90 2HD LYS 90 7.132 13.918 -2.595 696 1HE LYS 90 1HE LYS 90 6.909 13.243 -4.940 697 2HE LYS 90 2HE LYS 90 5.193 12.931 -4.682 698 1HZ LYS 90 1HZ LYS 90 6.528 15.569 -4.387 699 2HZ LYS 90 2HZ LYS 90 4.879 15.267 -4.162 700 3HZ LYS 90 3HZ LYS 90 5.569 15.094 -5.697 701 H GLY 91 H GLY 91 8.975 10.676 1.267 702 1HA GLY 91 1HA GLY 91 11.243 9.384 -0.010 703 2HA GLY 91 2HA GLY 91 11.245 10.198 1.547 704 H ILE 92 H ILE 92 8.816 8.618 2.341 705 HA ILE 92 HA ILE 92 10.184 6.494 3.635 706 HB ILE 92 HB ILE 92 7.205 6.912 3.351 707 1HG1 ILE 92 1HG1 ILE 92 8.158 8.855 4.400 708 2HG1 ILE 92 2HG1 ILE 92 7.399 7.883 5.652 709 1HG2 ILE 92 1HG2 ILE 92 7.062 5.532 5.391 710 2HG2 ILE 92 2HG2 ILE 92 8.796 5.224 5.273 711 3HG2 ILE 92 3HG2 ILE 92 7.709 4.651 4.008 712 1HD1 ILE 92 1HD1 ILE 92 9.508 8.750 6.427 713 2HD1 ILE 92 2HD1 ILE 92 10.343 8.026 5.053 714 3HD1 ILE 92 3HD1 ILE 92 9.598 6.996 6.276 715 H ALA 93 H ALA 93 8.133 6.708 0.792 716 HA ALA 93 HA ALA 93 7.770 3.916 0.431 717 1HB ALA 93 1HB ALA 93 6.978 4.494 -1.793 718 2HB ALA 93 2HB ALA 93 7.633 6.122 -1.622 719 3HB ALA 93 3HB ALA 93 6.303 5.593 -0.591 720 H ASN 94 H ASN 94 10.445 5.955 -0.045 721 HA ASN 94 HA ASN 94 11.658 4.520 -2.208 722 1HB ASN 94 1HB ASN 94 12.185 6.878 -1.792 723 2HB ASN 94 2HB ASN 94 12.862 6.460 -0.221 724 1HD2 ASN 94 1HD2 ASN 94 14.876 7.261 -0.716 725 2HD2 ASN 94 2HD2 ASN 94 15.943 6.483 -1.830 726 H GLU 95 H GLU 95 11.627 4.240 1.260 727 HA GLU 95 HA GLU 95 13.969 2.651 1.524 728 1HB GLU 95 1HB GLU 95 12.812 3.921 3.377 729 2HB GLU 95 2HB GLU 95 11.576 2.669 3.376 730 1HG GLU 95 1HG GLU 95 13.187 2.283 5.135 731 2HG GLU 95 2HG GLU 95 13.269 0.999 3.931 732 H CYS 96 H CYS 96 10.780 1.999 0.461 733 HA CYS 96 HA CYS 96 10.905 -0.847 1.000 734 1HB CYS 96 1HB CYS 96 8.850 0.904 -0.343 735 2HB CYS 96 2HB CYS 96 8.695 -0.845 -0.207 736 H ILE 97 H ILE 97 10.917 1.267 -1.855 737 HA ILE 97 HA ILE 97 10.979 -0.732 -3.808 738 HB ILE 97 HB ILE 97 12.300 1.977 -4.001 739 1HG1 ILE 97 1HG1 ILE 97 9.446 1.228 -4.669 740 2HG1 ILE 97 2HG1 ILE 97 9.929 2.068 -3.200 741 1HG2 ILE 97 1HG2 ILE 97 11.805 1.753 -6.399 742 2HG2 ILE 97 2HG2 ILE 97 11.176 0.132 -6.107 743 3HG2 ILE 97 3HG2 ILE 97 12.881 0.480 -5.823 744 1HD1 ILE 97 1HD1 ILE 97 10.782 3.919 -4.551 745 2HD1 ILE 97 2HD1 ILE 97 9.068 3.623 -4.837 746 3HD1 ILE 97 3HD1 ILE 97 10.266 3.079 -6.013 747 H GLU 98 H GLU 98 13.401 0.227 -1.592 748 HA GLU 98 HA GLU 98 15.574 -0.805 -3.236 749 1HB GLU 98 1HB GLU 98 15.603 0.437 -0.484 750 2HB GLU 98 2HB GLU 98 17.031 -0.046 -1.391 751 1HG GLU 98 1HG GLU 98 16.469 1.567 -3.137 752 2HG GLU 98 2HG GLU 98 15.041 2.053 -2.224 753 H ASN 99 H ASN 99 13.404 -1.983 -0.899 754 HA ASN 99 HA ASN 99 15.186 -4.260 -0.379 755 1HB ASN 99 1HB ASN 99 14.630 -4.260 1.809 756 2HB ASN 99 2HB ASN 99 14.273 -2.571 1.506 757 1HD2 ASN 99 1HD2 ASN 99 12.138 -1.901 1.358 758 2HD2 ASN 99 2HD2 ASN 99 10.831 -2.873 1.934 759 H ALA 100 H ALA 100 12.508 -3.397 -2.097 760 HA ALA 100 HA ALA 100 11.180 -5.991 -1.690 761 1HB ALA 100 1HB ALA 100 9.226 -5.008 -2.756 762 2HB ALA 100 2HB ALA 100 10.119 -3.514 -3.040 763 3HB ALA 100 3HB ALA 100 9.758 -4.025 -1.391 764 H LYS 101 H LYS 101 12.994 -4.149 -3.955 765 HA LYS 101 HA LYS 101 12.200 -5.467 -6.337 766 1HB LYS 101 1HB LYS 101 13.925 -4.295 -7.393 767 2HB LYS 101 2HB LYS 101 13.420 -3.234 -6.083 768 1HG LYS 101 1HG LYS 101 15.724 -5.132 -5.913 769 2HG LYS 101 2HG LYS 101 15.887 -3.435 -6.372 770 1HD LYS 101 1HD LYS 101 16.188 -3.086 -4.169 771 2HD LYS 101 2HD LYS 101 14.437 -3.268 -4.063 772 1HE LYS 101 1HE LYS 101 14.977 -4.833 -2.518 773 2HE LYS 101 2HE LYS 101 15.169 -5.853 -3.944 774 1HZ LYS 101 1HZ LYS 101 17.532 -5.354 -3.946 775 2HZ LYS 101 2HZ LYS 101 17.067 -6.043 -2.472 776 3HZ LYS 101 3HZ LYS 101 17.352 -4.378 -2.573 777 H GLY 102 H GLY 102 14.467 -6.291 -7.587 778 1HA GLY 102 1HA GLY 102 15.755 -8.158 -7.922 779 2HA GLY 102 2HA GLY 102 16.223 -7.962 -6.243 780 H GLU 103 H GLU 103 12.883 -8.431 -6.601 781 HA GLU 103 HA GLU 103 13.191 -11.161 -5.618 782 1HB GLU 103 1HB GLU 103 10.811 -9.307 -5.630 783 2HB GLU 103 2HB GLU 103 10.771 -10.956 -5.022 784 1HG GLU 103 1HG GLU 103 12.330 -8.631 -3.934 785 2HG GLU 103 2HG GLU 103 11.008 -9.504 -3.163 786 H THR 104 H THR 104 11.131 -12.571 -6.305 787 HA THR 104 HA THR 104 10.742 -12.290 -9.204 788 HB THR 104 HB THR 104 12.493 -13.942 -8.948 789 HG1 THR 104 1HG THR 104 11.551 -15.278 -10.328 790 1HG2 THR 104 1HG2 THR 104 12.053 -14.615 -6.639 791 2HG2 THR 104 2HG2 THR 104 12.119 -16.022 -7.699 792 3HG2 THR 104 3HG2 THR 104 10.562 -15.408 -7.145 793 H ASP 105 H ASP 105 9.458 -13.022 -6.126 794 HA ASP 105 HA ASP 105 7.004 -14.108 -7.315 795 1HB ASP 105 1HB ASP 105 7.962 -15.475 -5.538 796 2HB ASP 105 2HB ASP 105 7.934 -14.100 -4.438 797 H GLU 106 H GLU 106 5.033 -13.134 -7.031 798 HA GLU 106 HA GLU 106 4.964 -10.346 -6.772 799 1HB GLU 106 1HB GLU 106 3.278 -11.646 -8.006 800 2HB GLU 106 2HB GLU 106 2.678 -12.303 -6.490 801 1HG GLU 106 1HG GLU 106 2.026 -10.071 -5.769 802 2HG GLU 106 2HG GLU 106 2.654 -9.395 -7.270 803 H CYS 107 H CYS 107 3.453 -12.716 -4.554 804 HA CYS 107 HA CYS 107 2.831 -10.982 -2.511 805 1HB CYS 107 1HB CYS 107 3.681 -13.874 -2.311 806 2HB CYS 107 2HB CYS 107 2.918 -12.966 -1.010 807 H ASN 108 H ASN 108 5.944 -12.327 -3.329 808 HA ASN 108 HA ASN 108 7.219 -11.673 -0.858 809 1HB ASN 108 1HB ASN 108 8.045 -13.385 -2.523 810 2HB ASN 108 2HB ASN 108 8.543 -12.045 -3.551 811 1HD2 ASN 108 1HD2 ASN 108 10.127 -14.137 -2.263 812 2HD2 ASN 108 2HD2 ASN 108 11.300 -13.318 -1.296 813 H ILE 109 H ILE 109 6.985 -10.122 -4.032 814 HA ILE 109 HA ILE 109 8.635 -7.908 -3.473 815 HB ILE 109 HB ILE 109 6.509 -8.467 -5.507 816 1HG1 ILE 109 1HG1 ILE 109 9.382 -7.576 -5.800 817 2HG1 ILE 109 2HG1 ILE 109 8.872 -9.259 -5.754 818 1HG2 ILE 109 1HG2 ILE 109 6.932 -6.220 -6.504 819 2HG2 ILE 109 2HG2 ILE 109 7.754 -5.770 -5.010 820 3HG2 ILE 109 3HG2 ILE 109 6.040 -6.181 -4.985 821 1HD1 ILE 109 1HD1 ILE 109 8.025 -7.232 -7.806 822 2HD1 ILE 109 2HD1 ILE 109 7.565 -8.934 -7.773 823 3HD1 ILE 109 3HD1 ILE 109 9.250 -8.481 -8.030 824 H GLY 110 H GLY 110 5.134 -8.388 -3.195 825 1HA GLY 110 1HA GLY 110 4.538 -5.745 -2.381 826 2HA GLY 110 2HA GLY 110 3.502 -7.146 -2.172 827 H ASN 111 H ASN 111 5.075 -8.729 -0.503 828 HA ASN 111 HA ASN 111 4.487 -7.639 2.003 829 1HB ASN 111 1HB ASN 111 4.677 -10.020 1.782 830 2HB ASN 111 2HB ASN 111 6.346 -9.892 1.236 831 1HD2 ASN 111 1HD2 ASN 111 5.197 -7.878 3.829 832 2HD2 ASN 111 2HD2 ASN 111 6.021 -8.703 5.097 833 H LYS 112 H LYS 112 7.597 -7.905 0.308 834 HA LYS 112 HA LYS 112 9.175 -6.698 2.289 835 1HB LYS 112 1HB LYS 112 9.506 -6.810 -0.714 836 2HB LYS 112 2HB LYS 112 10.746 -6.199 0.373 837 1HG LYS 112 1HG LYS 112 9.600 -8.976 0.561 838 2HG LYS 112 2HG LYS 112 11.036 -8.570 -0.383 839 1HD LYS 112 1HD LYS 112 12.103 -7.703 1.660 840 2HD LYS 112 2HD LYS 112 10.681 -8.186 2.588 841 1HE LYS 112 1HE LYS 112 12.473 -10.037 1.017 842 2HE LYS 112 2HE LYS 112 12.487 -9.833 2.769 843 1HZ LYS 112 1HZ LYS 112 10.216 -10.649 2.848 844 2HZ LYS 112 2HZ LYS 112 11.227 -11.786 2.109 845 3HZ LYS 112 3HZ LYS 112 10.194 -10.835 1.165 846 H TYR 113 H TYR 113 6.866 -5.421 0.126 847 HA TYR 113 HA TYR 113 7.860 -2.700 0.218 848 1HB TYR 113 1HB TYR 113 6.660 -3.838 -1.758 849 2HB TYR 113 2HB TYR 113 5.182 -3.569 -0.844 850 HD1 TYR 113 1HD TYR 113 4.122 -1.467 -0.849 851 HD2 TYR 113 2HD TYR 113 8.056 -1.843 -2.427 852 HE1 TYR 113 1HE TYR 113 3.972 0.816 -1.746 853 HE2 TYR 113 2HE TYR 113 7.919 0.441 -3.328 854 HH TYR 113 HH TYR 113 5.483 2.629 -2.432 855 H THR 114 H THR 114 4.839 -4.327 1.211 856 HA THR 114 HA THR 114 3.787 -2.165 2.639 857 HB THR 114 HB THR 114 2.393 -4.034 1.933 858 HG1 THR 114 1HG THR 114 1.661 -2.819 3.712 859 1HG2 THR 114 1HG2 THR 114 2.456 -6.174 3.110 860 2HG2 THR 114 2HG2 THR 114 3.839 -5.624 4.055 861 3HG2 THR 114 3HG2 THR 114 3.997 -5.852 2.315 862 H ASP 115 H ASP 115 5.898 -4.789 3.607 863 HA ASP 115 HA ASP 115 5.821 -4.716 6.336 864 1HB ASP 115 1HB ASP 115 7.193 -6.289 5.043 865 2HB ASP 115 2HB ASP 115 8.296 -4.979 4.614 866 H CYS 116 H CYS 116 7.713 -2.576 4.233 867 HA CYS 116 HA CYS 116 8.763 -1.133 6.504 868 1HB CYS 116 1HB CYS 116 9.623 0.335 4.457 869 2HB CYS 116 2HB CYS 116 10.392 -1.185 4.908 870 H TYR 117 H TYR 117 6.438 -0.518 3.893 871 HA TYR 117 HA TYR 117 6.035 2.196 4.330 872 1HB TYR 117 1HB TYR 117 4.912 0.297 2.677 873 2HB TYR 117 2HB TYR 117 3.560 0.762 3.707 874 HD1 TYR 117 1HD TYR 117 3.505 3.466 4.095 875 HD2 TYR 117 2HD TYR 117 5.080 1.449 0.695 876 HE1 TYR 117 1HE TYR 117 3.153 5.487 2.739 877 HE2 TYR 117 2HE TYR 117 4.733 3.466 -0.669 878 HH TYR 117 HH TYR 117 4.034 6.496 0.677 879 H ILE 118 H ILE 118 4.752 -0.581 6.039 880 HA ILE 118 HA ILE 118 3.001 1.029 7.693 881 HB ILE 118 HB ILE 118 3.751 -1.884 7.996 882 1HG1 ILE 118 1HG1 ILE 118 1.323 -0.669 6.657 883 2HG1 ILE 118 2HG1 ILE 118 2.699 -1.357 5.801 884 1HG2 ILE 118 1HG2 ILE 118 1.670 -2.020 9.305 885 2HG2 ILE 118 2HG2 ILE 118 1.478 -0.274 9.153 886 3HG2 ILE 118 3HG2 ILE 118 2.854 -0.936 10.036 887 1HD1 ILE 118 1HD1 ILE 118 0.868 -2.926 5.866 888 2HD1 ILE 118 2HD1 ILE 118 0.816 -2.831 7.626 889 3HD1 ILE 118 3HD1 ILE 118 2.219 -3.534 6.821 890 H GLU 119 H GLU 119 6.253 0.025 7.682 891 HA GLU 119 HA GLU 119 6.678 -0.028 10.504 892 1HB GLU 119 1HB GLU 119 8.130 -1.229 8.916 893 2HB GLU 119 2HB GLU 119 8.675 0.309 8.262 894 1HG GLU 119 1HG GLU 119 9.733 0.886 10.328 895 2HG GLU 119 2HG GLU 119 9.044 -0.526 11.129 896 H LYS 120 H LYS 120 7.636 2.350 7.994 897 HA LYS 120 HA LYS 120 8.320 4.266 10.054 898 1HB LYS 120 1HB LYS 120 8.373 4.465 7.044 899 2HB LYS 120 2HB LYS 120 8.914 5.736 8.130 900 1HG LYS 120 1HG LYS 120 10.873 4.660 7.506 901 2HG LYS 120 2HG LYS 120 10.506 3.971 9.089 902 1HD LYS 120 1HD LYS 120 9.645 1.976 8.102 903 2HD LYS 120 2HD LYS 120 9.703 2.683 6.485 904 1HE LYS 120 1HE LYS 120 11.550 1.107 6.887 905 2HE LYS 120 2HE LYS 120 12.121 2.742 6.562 906 1HZ LYS 120 1HZ LYS 120 12.438 3.068 8.932 907 2HZ LYS 120 2HZ LYS 120 13.317 1.724 8.399 908 3HZ LYS 120 3HZ LYS 120 11.873 1.504 9.252 909 H LEU 121 H LEU 121 5.903 4.110 7.422 910 HA LEU 121 HA LEU 121 4.630 6.507 8.529 911 1HB LEU 121 1HB LEU 121 5.187 5.814 5.954 912 2HB LEU 121 2HB LEU 121 3.512 5.320 6.084 913 HG LEU 121 HG LEU 121 3.692 7.563 5.171 914 1HD1 LEU 121 1HD1 LEU 121 1.735 7.026 6.519 915 2HD1 LEU 121 2HD1 LEU 121 2.177 8.727 6.668 916 3HD1 LEU 121 3HD1 LEU 121 2.571 7.598 7.963 917 1HD2 LEU 121 1HD2 LEU 121 5.037 8.271 7.773 918 2HD2 LEU 121 2HD2 LEU 121 4.535 9.418 6.529 919 3HD2 LEU 121 3HD2 LEU 121 5.795 8.234 6.181 920 H PHE 122 H PHE 122 4.262 3.152 8.703 921 HA PHE 122 HA PHE 122 2.654 1.867 9.672 922 1HB PHE 122 1HB PHE 122 1.861 3.047 11.409 923 2HB PHE 122 2HB PHE 122 1.885 4.554 10.502 924 HD1 PHE 122 1HD PHE 122 -0.108 1.578 11.330 925 HD2 PHE 122 2HD PHE 122 -0.079 5.416 9.490 926 HE1 PHE 122 1HE PHE 122 -2.568 1.552 11.237 927 HE2 PHE 122 2HE PHE 122 -2.532 5.397 9.397 928 HZ PHE 122 HZ PHE 122 -3.781 3.417 10.207 929 H SER 123 H SER 123 1.946 4.017 7.091 930 HA SER 123 HA SER 123 -0.611 3.233 6.340 931 1HB SER 123 1HB SER 123 0.512 5.104 5.266 932 2HB SER 123 2HB SER 123 1.733 4.022 4.593 933 HG SER 123 HG SER 123 -0.004 2.988 3.445 934 1H4 TSD 124 1H4 TSP 124 0.438 0.066 -1.415 935 2H4 TSD 124 2H4 TSP 124 -1.184 -0.524 -1.697 936 3H4 TSD 124 3H4 TSP 124 -0.170 -1.289 -0.495 937 1H5 TSD 124 1H5 TSP 124 -2.300 2.622 -0.649 938 2H5 TSD 124 2H5 TSP 124 -3.280 1.726 0.489 939 3H5 TSD 124 3H5 TSP 124 -2.986 1.082 -1.109 940 1H6 TSD 124 1H6 TSP 124 -0.248 2.888 1.169 941 2H6 TSD 124 2H6 TSP 124 0.777 2.277 -0.109 942 3H6 TSD 124 3H6 TSP 124 0.875 1.587 1.494 943 1D3 TSD 124 1D3 TSP 124 -2.243 -0.908 1.516 944 2D3 TSD 124 2D3 TSP 124 -0.622 -0.682 2.142 945 1D2 TSD 124 1D2 TSP 124 -2.951 1.196 2.656 946 2D2 TSD 124 2D2 TSP 124 -1.333 1.339 3.342 Start of MODEL 13 1 HA ILE 1 HA ILE 1 -0.725 14.455 11.426 2 HB ILE 1 HB ILE 1 -0.757 13.131 9.344 3 1HG1 ILE 1 1HG1 ILE 1 1.186 11.301 10.773 4 2HG1 ILE 1 2HG1 ILE 1 -0.495 10.903 10.438 5 1HG2 ILE 1 1HG2 ILE 1 0.948 14.838 9.689 6 2HG2 ILE 1 2HG2 ILE 1 1.585 13.495 8.740 7 3HG2 ILE 1 3HG2 ILE 1 2.003 13.645 10.448 8 1HD1 ILE 1 1HD1 ILE 1 1.643 11.444 8.391 9 2HD1 ILE 1 2HD1 ILE 1 -0.044 11.078 8.038 10 3HD1 ILE 1 3HD1 ILE 1 0.976 9.870 8.821 11 H ASP 2 H ASP 2 -2.870 14.172 10.866 12 HA ASP 2 HA ASP 2 -4.422 12.530 12.537 13 1HB ASP 2 1HB ASP 2 -5.193 13.934 9.968 14 2HB ASP 2 2HB ASP 2 -6.328 13.260 11.134 15 H GLN 3 H GLN 3 -4.805 10.442 12.426 16 HA GLN 3 HA GLN 3 -3.900 8.710 10.468 17 1HB GLN 3 1HB GLN 3 -5.366 7.029 11.475 18 2HB GLN 3 2HB GLN 3 -4.536 7.968 12.704 19 1HG GLN 3 1HG GLN 3 -7.349 8.530 11.814 20 2HG GLN 3 2HG GLN 3 -6.948 7.458 13.154 21 1HE2 GLN 3 1HE2 GLN 3 -6.058 8.330 15.037 22 2HE2 GLN 3 2HE2 GLN 3 -6.183 10.012 15.408 23 H ASP 4 H ASP 4 -6.996 10.322 10.754 24 HA ASP 4 HA ASP 4 -8.507 8.992 8.880 25 1HB ASP 4 1HB ASP 4 -8.446 11.962 9.445 26 2HB ASP 4 2HB ASP 4 -9.724 11.137 8.558 27 H THR 5 H THR 5 -6.187 11.617 8.307 28 HA THR 5 HA THR 5 -6.594 12.005 5.589 29 HB THR 5 HB THR 5 -4.943 13.143 7.351 30 HG1 THR 5 1HG THR 5 -3.902 14.068 5.422 31 1HG2 THR 5 1HG2 THR 5 -2.620 12.682 6.840 32 2HG2 THR 5 2HG2 THR 5 -3.089 11.447 5.672 33 3HG2 THR 5 3HG2 THR 5 -3.403 11.200 7.390 34 H VAL 6 H VAL 6 -4.911 9.438 7.236 35 HA VAL 6 HA VAL 6 -3.816 8.394 4.757 36 HB VAL 6 HB VAL 6 -3.706 7.225 7.541 37 1HG1 VAL 6 1HG1 VAL 6 -3.383 5.539 5.824 38 2HG1 VAL 6 2HG1 VAL 6 -1.862 5.872 6.651 39 3HG1 VAL 6 3HG1 VAL 6 -2.158 6.539 5.045 40 1HG2 VAL 6 1HG2 VAL 6 -2.600 9.378 7.466 41 2HG2 VAL 6 2HG2 VAL 6 -1.702 8.897 6.028 42 3HG2 VAL 6 3HG2 VAL 6 -1.399 8.092 7.568 43 H VAL 7 H VAL 7 -5.739 6.907 7.366 44 HA VAL 7 HA VAL 7 -6.561 4.689 5.879 45 HB VAL 7 HB VAL 7 -8.000 5.919 8.228 46 1HG1 VAL 7 1HG1 VAL 7 -8.787 3.636 8.636 47 2HG1 VAL 7 2HG1 VAL 7 -7.980 3.098 7.162 48 3HG1 VAL 7 3HG1 VAL 7 -9.322 4.238 7.067 49 1HG2 VAL 7 1HG2 VAL 7 -6.656 4.398 9.606 50 2HG2 VAL 7 2HG2 VAL 7 -5.652 5.568 8.752 51 3HG2 VAL 7 3HG2 VAL 7 -5.753 3.906 8.173 52 H ALA 8 H ALA 8 -8.620 7.440 6.866 53 HA ALA 8 HA ALA 8 -10.850 6.691 5.390 54 1HB ALA 8 1HB ALA 8 -10.058 9.499 6.133 55 2HB ALA 8 2HB ALA 8 -10.863 8.350 7.200 56 3HB ALA 8 3HB ALA 8 -11.680 8.925 5.748 57 H LYS 9 H LYS 9 -7.940 8.244 4.242 58 HA LYS 9 HA LYS 9 -9.278 9.150 1.817 59 1HB LYS 9 1HB LYS 9 -6.426 9.391 2.750 60 2HB LYS 9 2HB LYS 9 -6.983 9.953 1.181 61 1HG LYS 9 1HG LYS 9 -8.497 10.895 3.537 62 2HG LYS 9 2HG LYS 9 -6.863 11.523 3.336 63 1HD LYS 9 1HD LYS 9 -8.380 13.025 2.249 64 2HD LYS 9 2HD LYS 9 -7.472 12.168 1.005 65 1HE LYS 9 1HE LYS 9 -9.853 12.357 0.450 66 2HE LYS 9 2HE LYS 9 -9.338 10.679 0.622 67 1HZ LYS 9 1HZ LYS 9 -10.286 10.649 2.840 68 2HZ LYS 9 2HZ LYS 9 -11.464 11.085 1.706 69 3HZ LYS 9 3HZ LYS 9 -10.762 12.266 2.691 70 H TYR 10 H TYR 10 -6.475 7.055 2.528 71 HA TYR 10 HA TYR 10 -6.136 6.032 -0.030 72 1HB TYR 10 1HB TYR 10 -5.478 4.994 2.701 73 2HB TYR 10 2HB TYR 10 -5.224 3.964 1.298 74 HD1 TYR 10 1HD TYR 10 -3.946 5.248 -0.702 75 HD2 TYR 10 2HD TYR 10 -3.667 6.210 3.432 76 HE1 TYR 10 1HE TYR 10 -1.769 6.317 -1.104 77 HE2 TYR 10 2HE TYR 10 -1.490 7.285 3.040 78 HH TYR 10 HH TYR 10 -0.321 7.988 -0.083 79 H MET 11 H MET 11 -8.456 5.148 2.427 80 HA MET 11 HA MET 11 -9.227 2.680 1.188 81 1HB MET 11 1HB MET 11 -9.453 3.211 3.640 82 2HB MET 11 2HB MET 11 -10.766 4.299 3.217 83 1HG MET 11 1HG MET 11 -11.558 2.118 3.994 84 2HG MET 11 2HG MET 11 -12.064 2.477 2.345 85 1HE MET 11 1HE MET 11 -9.595 0.413 4.603 86 2HE MET 11 2HE MET 11 -8.503 1.323 3.557 87 3HE MET 11 3HE MET 11 -8.632 -0.429 3.388 88 H GLU 12 H GLU 12 -10.778 5.865 1.519 89 HA GLU 12 HA GLU 12 -12.989 5.225 -0.144 90 1HB GLU 12 1HB GLU 12 -13.019 6.995 1.586 91 2HB GLU 12 2HB GLU 12 -11.899 7.940 0.616 92 1HG GLU 12 1HG GLU 12 -13.547 8.124 -1.153 93 2HG GLU 12 2HG GLU 12 -14.664 7.112 -0.241 94 H TYR 13 H TYR 13 -9.773 6.288 -0.802 95 HA TYR 13 HA TYR 13 -10.155 7.612 -3.248 96 1HB TYR 13 1HB TYR 13 -8.022 7.379 -1.764 97 2HB TYR 13 2HB TYR 13 -7.721 5.932 -2.721 98 HD1 TYR 13 1HD TYR 13 -7.278 9.442 -2.529 99 HD2 TYR 13 2HD TYR 13 -7.737 6.252 -5.308 100 HE1 TYR 13 1HE TYR 13 -6.257 10.831 -4.282 101 HE2 TYR 13 2HE TYR 13 -6.717 7.634 -7.069 102 HH TYR 13 HH TYR 13 -5.079 10.532 -6.419 103 H LEU 14 H LEU 14 -9.860 4.194 -2.466 104 HA LEU 14 HA LEU 14 -10.763 3.548 -5.172 105 1HB LEU 14 1HB LEU 14 -8.347 2.324 -3.841 106 2HB LEU 14 2HB LEU 14 -9.104 1.687 -5.286 107 HG LEU 14 HG LEU 14 -7.870 4.434 -5.082 108 1HD1 LEU 14 1HD1 LEU 14 -6.780 1.932 -6.364 109 2HD1 LEU 14 2HD1 LEU 14 -6.197 2.652 -4.863 110 3HD1 LEU 14 3HD1 LEU 14 -6.034 3.532 -6.383 111 1HD2 LEU 14 1HD2 LEU 14 -9.640 4.281 -6.751 112 2HD2 LEU 14 2HD2 LEU 14 -8.873 2.856 -7.450 113 3HD2 LEU 14 3HD2 LEU 14 -8.060 4.419 -7.522 114 H MET 15 H MET 15 -12.197 3.565 -2.738 115 HA MET 15 HA MET 15 -12.352 1.173 -1.359 116 1HB MET 15 1HB MET 15 -13.561 3.411 -0.957 117 2HB MET 15 2HB MET 15 -14.796 2.779 -2.034 118 1HG MET 15 1HG MET 15 -13.870 1.345 0.436 119 2HG MET 15 2HG MET 15 -15.221 2.477 0.417 120 1HE MET 15 1HE MET 15 -17.464 2.082 -0.922 121 2HE MET 15 2HE MET 15 -17.762 0.683 -1.952 122 3HE MET 15 3HE MET 15 -16.553 1.877 -2.417 123 HA PRO 16 HA PRO 16 -15.627 -0.456 -4.526 124 1HB PRO 16 1HB PRO 16 -15.708 0.675 -6.980 125 2HB PRO 16 2HB PRO 16 -16.672 1.278 -5.627 126 1HG PRO 16 1HG PRO 16 -14.054 2.288 -6.680 127 2HG PRO 16 2HG PRO 16 -15.503 3.207 -6.228 128 1HD PRO 16 1HD PRO 16 -13.382 2.979 -4.581 129 2HD PRO 16 2HD PRO 16 -15.046 3.057 -3.967 130 H ASP 17 H ASP 17 -12.392 0.371 -5.126 131 HA ASP 17 HA ASP 17 -12.105 -1.767 -7.123 132 1HB ASP 17 1HB ASP 17 -10.142 0.410 -6.385 133 2HB ASP 17 2HB ASP 17 -9.939 -0.776 -7.667 134 H ILE 18 H ILE 18 -11.569 -1.013 -3.853 135 HA ILE 18 HA ILE 18 -9.336 -2.825 -3.498 136 HB ILE 18 HB ILE 18 -11.008 -1.230 -1.564 137 1HG1 ILE 18 1HG1 ILE 18 -8.043 -1.157 -2.139 138 2HG1 ILE 18 2HG1 ILE 18 -9.215 -0.130 -2.955 139 1HG2 ILE 18 1HG2 ILE 18 -9.480 -2.033 0.215 140 2HG2 ILE 18 2HG2 ILE 18 -8.827 -3.211 -0.924 141 3HG2 ILE 18 3HG2 ILE 18 -10.519 -3.300 -0.435 142 1HD1 ILE 18 1HD1 ILE 18 -9.829 0.869 -0.818 143 2HD1 ILE 18 2HD1 ILE 18 -8.107 1.052 -1.148 144 3HD1 ILE 18 3HD1 ILE 18 -8.661 -0.165 0.002 145 H MET 19 H MET 19 -12.802 -2.780 -2.738 146 HA MET 19 HA MET 19 -12.989 -5.161 -1.333 147 1HB MET 19 1HB MET 19 -15.010 -4.038 -3.279 148 2HB MET 19 2HB MET 19 -15.338 -5.242 -2.043 149 1HG MET 19 1HG MET 19 -14.449 -2.409 -1.561 150 2HG MET 19 2HG MET 19 -16.085 -3.037 -1.357 151 1HE MET 19 1HE MET 19 -14.942 -2.406 2.336 152 2HE MET 19 2HE MET 19 -16.208 -2.123 1.142 153 3HE MET 19 3HE MET 19 -14.604 -1.428 0.907 154 HA PRO 20 HA PRO 20 -13.783 -7.213 -5.874 155 1HB PRO 20 1HB PRO 20 -11.431 -5.691 -6.931 156 2HB PRO 20 2HB PRO 20 -12.829 -6.336 -7.799 157 1HG PRO 20 1HG PRO 20 -12.673 -3.746 -7.188 158 2HG PRO 20 2HG PRO 20 -14.217 -4.614 -7.116 159 1HD PRO 20 1HD PRO 20 -12.500 -3.631 -4.916 160 2HD PRO 20 2HD PRO 20 -14.249 -3.919 -4.943 161 H CYS 21 H CYS 21 -10.489 -6.141 -4.976 162 HA CYS 21 HA CYS 21 -9.187 -8.533 -5.557 163 1HB CYS 21 1HB CYS 21 -8.334 -6.736 -3.300 164 2HB CYS 21 2HB CYS 21 -7.327 -7.684 -4.386 165 H ALA 22 H ALA 22 -10.716 -7.463 -2.545 166 HA ALA 22 HA ALA 22 -9.919 -9.486 -0.837 167 1HB ALA 22 1HB ALA 22 -11.266 -7.482 -0.208 168 2HB ALA 22 2HB ALA 22 -11.859 -8.990 0.488 169 3HB ALA 22 3HB ALA 22 -12.682 -8.275 -0.898 170 H ASP 23 H ASP 23 -12.761 -9.448 -2.973 171 HA ASP 23 HA ASP 23 -13.427 -12.178 -2.362 172 1HB ASP 23 1HB ASP 23 -14.456 -10.319 -4.519 173 2HB ASP 23 2HB ASP 23 -15.138 -11.898 -4.138 174 H GLU 24 H GLU 24 -11.278 -10.592 -4.436 175 HA GLU 24 HA GLU 24 -11.245 -12.316 -6.649 176 1HB GLU 24 1HB GLU 24 -10.128 -10.014 -6.353 177 2HB GLU 24 2HB GLU 24 -8.801 -10.902 -5.622 178 1HG GLU 24 1HG GLU 24 -8.293 -10.523 -7.922 179 2HG GLU 24 2HG GLU 24 -8.612 -12.242 -7.692 180 H LEU 25 H LEU 25 -9.175 -12.326 -3.698 181 HA LEU 25 HA LEU 25 -8.290 -15.017 -4.528 182 1HB LEU 25 1HB LEU 25 -7.121 -13.393 -2.282 183 2HB LEU 25 2HB LEU 25 -6.376 -14.708 -3.182 184 HG LEU 25 HG LEU 25 -6.849 -11.881 -4.122 185 1HD1 LEU 25 1HD1 LEU 25 -4.864 -12.412 -2.684 186 2HD1 LEU 25 2HD1 LEU 25 -4.491 -11.733 -4.267 187 3HD1 LEU 25 3HD1 LEU 25 -4.296 -13.463 -3.982 188 1HD2 LEU 25 1HD2 LEU 25 -7.387 -13.355 -5.965 189 2HD2 LEU 25 2HD2 LEU 25 -5.885 -14.248 -5.715 190 3HD2 LEU 25 3HD2 LEU 25 -5.835 -12.567 -6.248 191 H HIS 26 H HIS 26 -9.487 -13.230 -1.682 192 HA HIS 26 HA HIS 26 -11.112 -15.264 -0.745 193 1HB HIS 26 1HB HIS 26 -9.519 -15.716 1.385 194 2HB HIS 26 2HB HIS 26 -9.586 -16.770 -0.021 195 HD1 HIS 26 1HD HIS 26 -7.410 -17.273 -1.064 196 HD2 HIS 26 2HD HIS 26 -7.279 -13.758 1.144 197 HE1 HIS 26 1HE HIS 26 -5.011 -16.525 -1.137 198 HE2 HIS 26 2HE HIS 26 -4.994 -14.316 0.072 199 H ILE 27 H ILE 27 -8.746 -13.090 0.784 200 HA ILE 27 HA ILE 27 -10.909 -11.556 2.021 201 HB ILE 27 HB ILE 27 -9.681 -11.754 4.237 202 1HG1 ILE 27 1HG1 ILE 27 -8.295 -13.884 2.604 203 2HG1 ILE 27 2HG1 ILE 27 -7.581 -12.608 3.588 204 1HG2 ILE 27 1HG2 ILE 27 -11.822 -12.886 3.734 205 2HG2 ILE 27 2HG2 ILE 27 -10.809 -13.816 4.839 206 3HG2 ILE 27 3HG2 ILE 27 -10.920 -14.281 3.141 207 1HD1 ILE 27 1HD1 ILE 27 -8.992 -15.065 4.597 208 2HD1 ILE 27 2HD1 ILE 27 -8.406 -13.752 5.617 209 3HD1 ILE 27 3HD1 ILE 27 -7.265 -14.715 4.678 210 H SER 28 H SER 28 -10.397 -9.430 2.340 211 HA SER 28 HA SER 28 -7.802 -8.498 1.440 212 1HB SER 28 1HB SER 28 -9.716 -7.271 0.640 213 2HB SER 28 2HB SER 28 -10.293 -7.010 2.283 214 HG SER 28 HG SER 28 -8.830 -5.388 0.949 215 H GLU 29 H GLU 29 -7.144 -6.363 2.857 216 HA GLU 29 HA GLU 29 -5.927 -7.370 5.151 217 1HB GLU 29 1HB GLU 29 -5.508 -5.176 3.759 218 2HB GLU 29 2HB GLU 29 -6.570 -4.456 4.959 219 1HG GLU 29 1HG GLU 29 -5.077 -5.265 6.735 220 2HG GLU 29 2HG GLU 29 -3.992 -5.912 5.503 221 H ASP 30 H ASP 30 -9.151 -6.352 4.688 222 HA ASP 30 HA ASP 30 -9.658 -5.502 7.382 223 1HB ASP 30 1HB ASP 30 -11.963 -5.360 6.751 224 2HB ASP 30 2HB ASP 30 -11.011 -4.783 5.389 225 H ILE 31 H ILE 31 -9.785 -8.526 5.654 226 HA ILE 31 HA ILE 31 -10.782 -9.856 8.089 227 HB ILE 31 HB ILE 31 -10.792 -10.976 5.281 228 1HG1 ILE 31 1HG1 ILE 31 -13.099 -9.776 6.827 229 2HG1 ILE 31 2HG1 ILE 31 -12.250 -8.971 5.513 230 1HG2 ILE 31 1HG2 ILE 31 -12.139 -11.883 7.825 231 2HG2 ILE 31 2HG2 ILE 31 -10.798 -12.682 7.004 232 3HG2 ILE 31 3HG2 ILE 31 -12.382 -12.604 6.234 233 1HD1 ILE 31 1HD1 ILE 31 -12.952 -10.776 3.995 234 2HD1 ILE 31 2HD1 ILE 31 -14.311 -9.906 4.707 235 3HD1 ILE 31 3HD1 ILE 31 -13.865 -11.500 5.318 236 H ALA 32 H ALA 32 -8.041 -9.254 6.307 237 HA ALA 32 HA ALA 32 -6.686 -11.724 6.349 238 1HB ALA 32 1HB ALA 32 -4.660 -10.413 5.992 239 2HB ALA 32 2HB ALA 32 -5.539 -8.937 6.394 240 3HB ALA 32 3HB ALA 32 -5.971 -9.856 4.953 241 H THR 33 H THR 33 -7.191 -9.266 8.766 242 HA THR 33 HA THR 33 -5.177 -10.346 10.552 243 HB THR 33 HB THR 33 -5.524 -7.936 10.539 244 HG1 THR 33 1HG THR 33 -5.042 -8.046 12.588 245 1HG2 THR 33 1HG2 THR 33 -7.883 -7.873 9.925 246 2HG2 THR 33 2HG2 THR 33 -7.605 -6.953 11.403 247 3HG2 THR 33 3HG2 THR 33 -8.322 -8.562 11.489 248 H ASN 34 H ASN 34 -7.073 -12.264 9.860 249 HA ASN 34 HA ASN 34 -9.147 -12.470 11.798 250 1HB ASN 34 1HB ASN 34 -9.522 -14.688 10.923 251 2HB ASN 34 2HB ASN 34 -9.205 -13.598 9.578 252 1HD2 ASN 34 1HD2 ASN 34 -6.349 -13.498 10.001 253 2HD2 ASN 34 2HD2 ASN 34 -5.720 -15.026 9.502 254 H ILE 35 H ILE 35 -5.824 -13.588 11.634 255 HA ILE 35 HA ILE 35 -5.990 -14.327 14.459 256 HB ILE 35 HB ILE 35 -4.642 -16.376 14.058 257 1HG1 ILE 35 1HG1 ILE 35 -5.394 -15.960 11.156 258 2HG1 ILE 35 2HG1 ILE 35 -3.786 -15.682 11.816 259 1HG2 ILE 35 1HG2 ILE 35 -6.512 -17.759 13.291 260 2HG2 ILE 35 2HG2 ILE 35 -7.334 -16.314 12.703 261 3HG2 ILE 35 3HG2 ILE 35 -7.042 -16.520 14.430 262 1HD1 ILE 35 1HD1 ILE 35 -3.907 -17.825 10.698 263 2HD1 ILE 35 2HD1 ILE 35 -5.241 -18.316 11.741 264 3HD1 ILE 35 3HD1 ILE 35 -3.639 -18.046 12.427 265 H GLN 36 H GLN 36 -4.812 -12.104 12.928 266 HA GLN 36 HA GLN 36 -2.951 -10.800 12.988 267 1HB GLN 36 1HB GLN 36 -2.951 -11.947 15.405 268 2HB GLN 36 2HB GLN 36 -1.473 -12.656 14.773 269 1HG GLN 36 1HG GLN 36 -0.672 -10.781 15.811 270 2HG GLN 36 2HG GLN 36 -0.870 -10.208 14.156 271 1HE2 GLN 36 1HE2 GLN 36 -3.806 -10.102 14.428 272 2HE2 GLN 36 2HE2 GLN 36 -4.130 -8.693 15.372 273 H ALA 37 H ALA 37 -1.453 -10.622 11.475 274 HA ALA 37 HA ALA 37 -0.494 -12.999 10.133 275 1HB ALA 37 1HB ALA 37 0.367 -11.483 8.455 276 2HB ALA 37 2HB ALA 37 0.019 -10.100 9.491 277 3HB ALA 37 3HB ALA 37 -1.304 -11.072 8.846 278 H ALA 38 H ALA 38 1.325 -10.024 10.913 279 HA ALA 38 HA ALA 38 3.147 -11.176 12.692 280 1HB ALA 38 1HB ALA 38 4.321 -11.055 9.930 281 2HB ALA 38 2HB ALA 38 3.687 -12.537 10.641 282 3HB ALA 38 3HB ALA 38 5.048 -11.709 11.397 283 H LYS 39 H LYS 39 3.615 -9.108 9.791 284 HA LYS 39 HA LYS 39 5.351 -7.292 10.933 285 1HB LYS 39 1HB LYS 39 3.248 -6.406 8.981 286 2HB LYS 39 2HB LYS 39 4.915 -5.865 9.120 287 1HG LYS 39 1HG LYS 39 3.938 -8.511 8.076 288 2HG LYS 39 2HG LYS 39 4.708 -7.215 7.162 289 1HD LYS 39 1HD LYS 39 6.026 -8.774 9.387 290 2HD LYS 39 2HD LYS 39 6.237 -9.104 7.666 291 1HE LYS 39 1HE LYS 39 7.198 -6.903 7.337 292 2HE LYS 39 2HE LYS 39 6.909 -6.496 9.027 293 1HZ LYS 39 1HZ LYS 39 9.212 -7.149 8.604 294 2HZ LYS 39 2HZ LYS 39 8.695 -8.672 8.082 295 3HZ LYS 39 3HZ LYS 39 8.455 -8.204 9.689 296 H ASN 40 H ASN 40 1.903 -6.632 10.389 297 HA ASN 40 HA ASN 40 1.801 -5.231 12.975 298 1HB ASN 40 1HB ASN 40 0.090 -3.696 11.822 299 2HB ASN 40 2HB ASN 40 1.788 -3.440 11.433 300 1HD2 ASN 40 1HD2 ASN 40 2.559 -4.036 9.405 301 2HD2 ASN 40 2HD2 ASN 40 1.497 -4.326 8.074 302 H GLY 41 H GLY 41 0.929 -7.823 11.413 303 1HA GLY 41 1HA GLY 41 -0.615 -9.449 11.928 304 2HA GLY 41 2HA GLY 41 -1.437 -8.303 12.975 305 H ALA 42 H ALA 42 -1.417 -6.367 10.617 306 HA ALA 42 HA ALA 42 -3.893 -7.342 9.427 307 1HB ALA 42 1HB ALA 42 -3.779 -5.051 10.391 308 2HB ALA 42 2HB ALA 42 -4.266 -5.089 8.698 309 3HB ALA 42 3HB ALA 42 -2.623 -4.625 9.131 310 H ASP 43 H ASP 43 -0.672 -6.258 8.520 311 HA ASP 43 HA ASP 43 -1.167 -7.051 5.742 312 1HB ASP 43 1HB ASP 43 1.047 -5.334 6.872 313 2HB ASP 43 2HB ASP 43 0.765 -5.663 5.168 314 H MET 44 H MET 44 0.400 -8.249 4.582 315 HA MET 44 HA MET 44 2.748 -9.280 5.685 316 1HB MET 44 1HB MET 44 0.919 -10.496 7.039 317 2HB MET 44 2HB MET 44 0.646 -11.419 5.567 318 1HG MET 44 1HG MET 44 2.124 -12.630 7.030 319 2HG MET 44 2HG MET 44 2.999 -12.118 5.584 320 1HE MET 44 1HE MET 44 4.587 -13.149 8.048 321 2HE MET 44 2HE MET 44 5.840 -11.920 8.214 322 3HE MET 44 3HE MET 44 5.366 -12.485 6.612 323 H SER 45 H SER 45 2.183 -11.995 4.348 324 HA SER 45 HA SER 45 3.105 -11.209 1.744 325 1HB SER 45 1HB SER 45 4.067 -13.160 2.884 326 2HB SER 45 2HB SER 45 2.490 -13.948 2.880 327 HG SER 45 HG SER 45 2.649 -14.306 0.768 328 H GLN 46 H GLN 46 0.225 -12.792 3.072 329 HA GLN 46 HA GLN 46 -1.017 -13.127 0.528 330 1HB GLN 46 1HB GLN 46 -1.492 -14.294 2.865 331 2HB GLN 46 2HB GLN 46 -2.632 -12.967 3.038 332 1HG GLN 46 1HG GLN 46 -3.648 -15.021 2.131 333 2HG GLN 46 2HG GLN 46 -3.802 -13.632 1.055 334 1HE2 GLN 46 1HE2 GLN 46 -2.658 -13.596 -0.877 335 2HE2 GLN 46 2HE2 GLN 46 -1.903 -15.005 -1.537 336 H LEU 47 H LEU 47 -1.160 -10.761 3.129 337 HA LEU 47 HA LEU 47 -3.161 -9.142 1.958 338 1HB LEU 47 1HB LEU 47 -2.626 -9.008 4.330 339 2HB LEU 47 2HB LEU 47 -0.991 -8.504 3.960 340 HG LEU 47 HG LEU 47 -2.696 -6.743 4.736 341 1HD1 LEU 47 1HD1 LEU 47 -0.418 -6.347 3.784 342 2HD1 LEU 47 2HD1 LEU 47 -1.576 -5.040 3.551 343 3HD1 LEU 47 3HD1 LEU 47 -1.190 -6.125 2.214 344 1HD2 LEU 47 1HD2 LEU 47 -3.484 -6.977 1.837 345 2HD2 LEU 47 2HD2 LEU 47 -3.988 -5.702 2.943 346 3HD2 LEU 47 3HD2 LEU 47 -4.501 -7.365 3.223 347 H GLY 48 H GLY 48 0.399 -9.043 1.964 348 1HA GLY 48 1HA GLY 48 0.759 -6.740 0.461 349 2HA GLY 48 2HA GLY 48 1.854 -8.114 0.455 350 H CYS 49 H CYS 49 -0.863 -9.510 -0.508 351 HA CYS 49 HA CYS 49 -0.283 -9.080 -3.353 352 1HB CYS 49 1HB CYS 49 -1.180 -11.380 -1.743 353 2HB CYS 49 2HB CYS 49 -1.930 -11.211 -3.325 354 H LEU 50 H LEU 50 -3.122 -9.864 -1.337 355 HA LEU 50 HA LEU 50 -5.075 -9.108 -3.153 356 1HB LEU 50 1HB LEU 50 -4.979 -9.245 -0.173 357 2HB LEU 50 2HB LEU 50 -6.386 -8.543 -0.948 358 HG LEU 50 HG LEU 50 -5.922 -10.962 -2.276 359 1HD1 LEU 50 1HD1 LEU 50 -4.453 -11.617 -0.430 360 2HD1 LEU 50 2HD1 LEU 50 -5.911 -12.605 -0.494 361 3HD1 LEU 50 3HD1 LEU 50 -5.766 -11.325 0.710 362 1HD2 LEU 50 1HD2 LEU 50 -8.048 -11.603 -1.195 363 2HD2 LEU 50 2HD2 LEU 50 -8.085 -9.991 -1.908 364 3HD2 LEU 50 3HD2 LEU 50 -7.917 -10.178 -0.165 365 H LYS 51 H LYS 51 -3.203 -7.208 -0.898 366 HA LYS 51 HA LYS 51 -4.628 -4.778 -1.475 367 1HB LYS 51 1HB LYS 51 -2.929 -5.632 0.571 368 2HB LYS 51 2HB LYS 51 -2.002 -4.406 -0.284 369 1HG LYS 51 1HG LYS 51 -3.239 -3.407 1.534 370 2HG LYS 51 2HG LYS 51 -3.860 -2.828 -0.013 371 1HD LYS 51 1HD LYS 51 -5.688 -4.475 0.132 372 2HD LYS 51 2HD LYS 51 -5.081 -4.989 1.705 373 1HE LYS 51 1HE LYS 51 -5.459 -2.752 2.594 374 2HE LYS 51 2HE LYS 51 -6.028 -2.211 1.016 375 1HZ LYS 51 1HZ LYS 51 -7.309 -4.300 2.695 376 2HZ LYS 51 2HZ LYS 51 -7.855 -3.787 1.177 377 3HZ LYS 51 3HZ LYS 51 -7.871 -2.717 2.486 378 H ALA 52 H ALA 52 -2.021 -6.591 -2.801 379 HA ALA 52 HA ALA 52 -0.731 -4.388 -4.129 380 1HB ALA 52 1HB ALA 52 0.631 -6.281 -3.769 381 2HB ALA 52 2HB ALA 52 0.314 -6.257 -5.504 382 3HB ALA 52 3HB ALA 52 -0.565 -7.375 -4.462 383 H CYS 53 H CYS 53 -3.451 -6.410 -4.680 384 HA CYS 53 HA CYS 53 -3.703 -6.208 -7.473 385 1HB CYS 53 1HB CYS 53 -5.121 -7.812 -6.660 386 2HB CYS 53 2HB CYS 53 -5.488 -6.906 -5.199 387 H VAL 54 H VAL 54 -4.359 -4.013 -4.886 388 HA VAL 54 HA VAL 54 -6.062 -2.256 -6.392 389 HB VAL 54 HB VAL 54 -4.542 -1.611 -3.863 390 1HG1 VAL 54 1HG1 VAL 54 -6.347 0.007 -3.501 391 2HG1 VAL 54 2HG1 VAL 54 -7.062 -0.453 -5.046 392 3HG1 VAL 54 3HG1 VAL 54 -5.480 0.324 -5.005 393 1HG2 VAL 54 1HG2 VAL 54 -6.577 -2.287 -2.652 394 2HG2 VAL 54 2HG2 VAL 54 -5.822 -3.638 -3.499 395 3HG2 VAL 54 3HG2 VAL 54 -7.265 -2.875 -4.166 396 H MET 55 H MET 55 -2.670 -2.691 -5.937 397 HA MET 55 HA MET 55 -1.781 -0.097 -6.638 398 1HB MET 55 1HB MET 55 -0.370 -2.757 -6.965 399 2HB MET 55 2HB MET 55 0.394 -1.173 -7.035 400 1HG MET 55 1HG MET 55 -0.278 -0.777 -4.697 401 2HG MET 55 2HG MET 55 -0.950 -2.405 -4.641 402 1HE MET 55 1HE MET 55 0.563 -2.877 -2.466 403 2HE MET 55 2HE MET 55 1.222 -1.245 -2.586 404 3HE MET 55 3HE MET 55 2.309 -2.625 -2.434 405 H LYS 56 H LYS 56 -1.950 -3.101 -8.538 406 HA LYS 56 HA LYS 56 -1.197 -2.022 -11.000 407 1HB LYS 56 1HB LYS 56 -3.159 -4.286 -10.639 408 2HB LYS 56 2HB LYS 56 -2.054 -4.025 -11.980 409 1HG LYS 56 1HG LYS 56 -0.180 -4.607 -10.671 410 2HG LYS 56 2HG LYS 56 -1.115 -4.541 -9.177 411 1HD LYS 56 1HD LYS 56 -2.475 -6.440 -9.995 412 2HD LYS 56 2HD LYS 56 -1.436 -6.534 -11.419 413 1HE LYS 56 1HE LYS 56 -0.469 -6.796 -8.577 414 2HE LYS 56 2HE LYS 56 -0.849 -8.156 -9.630 415 1HZ LYS 56 1HZ LYS 56 0.863 -7.397 -11.162 416 2HZ LYS 56 2HZ LYS 56 1.514 -7.681 -9.630 417 3HZ LYS 56 3HZ LYS 56 1.229 -6.097 -10.143 418 H ARG 57 H ARG 57 -4.156 -1.796 -9.256 419 HA ARG 57 HA ARG 57 -5.965 -1.318 -11.349 420 1HB ARG 57 1HB ARG 57 -6.340 -1.681 -8.781 421 2HB ARG 57 2HB ARG 57 -6.215 0.071 -8.705 422 1HG ARG 57 1HG ARG 57 -8.482 -0.241 -8.898 423 2HG ARG 57 2HG ARG 57 -8.012 0.019 -10.578 424 1HD ARG 57 1HD ARG 57 -8.337 -2.691 -9.296 425 2HD ARG 57 2HD ARG 57 -9.585 -1.888 -10.245 426 HE ARG 57 HE ARG 57 -7.371 -1.939 -11.862 427 1HH1 ARG 57 1HH1 ARG 57 -9.308 -4.311 -10.202 428 2HH1 ARG 57 2HH1 ARG 57 -9.009 -5.558 -11.367 429 1HH2 ARG 57 1HH2 ARG 57 -6.972 -3.572 -13.399 430 2HH2 ARG 57 2HH2 ARG 57 -7.681 -5.138 -13.184 431 H ILE 58 H ILE 58 -3.747 0.801 -9.627 432 HA ILE 58 HA ILE 58 -4.556 3.021 -11.386 433 HB ILE 58 HB ILE 58 -3.520 4.520 -9.697 434 1HG1 ILE 58 1HG1 ILE 58 -3.430 2.036 -7.971 435 2HG1 ILE 58 2HG1 ILE 58 -2.019 2.775 -8.718 436 1HG2 ILE 58 1HG2 ILE 58 -5.340 4.338 -8.061 437 2HG2 ILE 58 2HG2 ILE 58 -5.727 2.734 -8.682 438 3HG2 ILE 58 3HG2 ILE 58 -5.922 4.152 -9.715 439 1HD1 ILE 58 1HD1 ILE 58 -2.210 3.403 -6.384 440 2HD1 ILE 58 2HD1 ILE 58 -3.818 4.063 -6.679 441 3HD1 ILE 58 3HD1 ILE 58 -2.407 4.811 -7.427 442 H GLU 59 H GLU 59 -2.623 0.833 -11.959 443 HA GLU 59 HA GLU 59 -0.583 0.538 -12.919 444 1HB GLU 59 1HB GLU 59 -0.913 3.510 -13.323 445 2HB GLU 59 2HB GLU 59 0.432 2.597 -13.993 446 1HG GLU 59 1HG GLU 59 -1.120 1.218 -15.262 447 2HG GLU 59 2HG GLU 59 -2.480 2.098 -14.569 448 H MET 60 H MET 60 -0.245 0.260 -10.393 449 HA MET 60 HA MET 60 2.117 1.877 -9.692 450 1HB MET 60 1HB MET 60 0.121 2.393 -8.280 451 2HB MET 60 2HB MET 60 0.105 0.716 -7.752 452 1HG MET 60 1HG MET 60 2.497 1.139 -6.956 453 2HG MET 60 2HG MET 60 2.124 2.847 -7.164 454 1HE MET 60 1HE MET 60 2.904 0.924 -4.469 455 2HE MET 60 2HE MET 60 2.035 1.855 -3.249 456 3HE MET 60 3HE MET 60 2.986 2.685 -4.482 457 H LEU 61 H LEU 61 1.211 -1.031 -10.748 458 HA LEU 61 HA LEU 61 3.566 -2.330 -9.765 459 1HB LEU 61 1HB LEU 61 1.955 -2.667 -7.900 460 2HB LEU 61 2HB LEU 61 0.888 -3.504 -9.014 461 HG LEU 61 HG LEU 61 2.717 -5.186 -9.382 462 1HD1 LEU 61 1HD1 LEU 61 4.495 -5.301 -7.694 463 2HD1 LEU 61 2HD1 LEU 61 3.969 -3.747 -7.048 464 3HD1 LEU 61 3HD1 LEU 61 4.612 -3.847 -8.685 465 1HD2 LEU 61 1HD2 LEU 61 0.815 -5.563 -7.859 466 2HD2 LEU 61 2HD2 LEU 61 1.770 -4.898 -6.535 467 3HD2 LEU 61 3HD2 LEU 61 2.283 -6.384 -7.332 468 H LYS 62 H LYS 62 4.324 -3.581 -11.331 469 HA LYS 62 HA LYS 62 2.444 -4.591 -13.362 470 1HB LYS 62 1HB LYS 62 5.346 -3.791 -13.664 471 2HB LYS 62 2HB LYS 62 4.388 -4.551 -14.926 472 1HG LYS 62 1HG LYS 62 3.279 -2.087 -13.731 473 2HG LYS 62 2HG LYS 62 4.725 -1.910 -14.725 474 1HD LYS 62 1HD LYS 62 2.873 -1.628 -16.177 475 2HD LYS 62 2HD LYS 62 3.523 -3.236 -16.504 476 1HE LYS 62 1HE LYS 62 1.784 -4.232 -15.116 477 2HE LYS 62 2HE LYS 62 1.147 -2.631 -14.745 478 1HZ LYS 62 1HZ LYS 62 -0.124 -3.714 -16.493 479 2HZ LYS 62 2HZ LYS 62 1.264 -3.857 -17.448 480 3HZ LYS 62 3HZ LYS 62 0.641 -2.326 -17.086 481 H GLY 63 H GLY 63 2.129 -6.469 -12.015 482 1HA GLY 63 1HA GLY 63 2.492 -8.716 -11.642 483 2HA GLY 63 2HA GLY 63 3.912 -8.605 -12.673 484 H THR 64 H THR 64 5.820 -7.532 -11.682 485 HA THR 64 HA THR 64 5.974 -7.805 -8.781 486 HB THR 64 HB THR 64 8.152 -8.969 -8.958 487 HG1 THR 64 1HG THR 64 7.988 -9.980 -11.400 488 1HG2 THR 64 1HG2 THR 64 7.275 -11.176 -9.602 489 2HG2 THR 64 2HG2 THR 64 5.864 -10.397 -10.318 490 3HG2 THR 64 3HG2 THR 64 6.141 -10.292 -8.579 491 H GLU 65 H GLU 65 5.875 -5.533 -10.640 492 HA GLU 65 HA GLU 65 8.527 -4.357 -10.099 493 1HB GLU 65 1HB GLU 65 7.795 -4.646 -12.528 494 2HB GLU 65 2HB GLU 65 6.596 -3.398 -12.204 495 1HG GLU 65 1HG GLU 65 8.515 -2.407 -13.244 496 2HG GLU 65 2HG GLU 65 8.416 -1.861 -11.570 497 H LEU 66 H LEU 66 8.362 -3.135 -8.309 498 HA LEU 66 HA LEU 66 5.986 -1.903 -7.421 499 1HB LEU 66 1HB LEU 66 8.823 -1.194 -6.682 500 2HB LEU 66 2HB LEU 66 7.382 -0.806 -5.768 501 HG LEU 66 HG LEU 66 8.223 -2.582 -4.588 502 1HD1 LEU 66 1HD1 LEU 66 6.519 -4.030 -6.589 503 2HD1 LEU 66 2HD1 LEU 66 5.889 -3.007 -5.298 504 3HD1 LEU 66 3HD1 LEU 66 6.800 -4.464 -4.904 505 1HD2 LEU 66 1HD2 LEU 66 9.837 -3.051 -6.683 506 2HD2 LEU 66 2HD2 LEU 66 8.776 -4.460 -6.773 507 3HD2 LEU 66 3HD2 LEU 66 9.679 -4.126 -5.297 508 H TYR 67 H TYR 67 5.324 0.231 -7.435 509 HA TYR 67 HA TYR 67 6.856 2.166 -9.003 510 1HB TYR 67 1HB TYR 67 4.078 1.208 -9.633 511 2HB TYR 67 2HB TYR 67 4.586 2.834 -10.075 512 HD1 TYR 67 1HD TYR 67 4.858 -0.706 -10.839 513 HD2 TYR 67 2HD TYR 67 6.404 3.157 -11.716 514 HE1 TYR 67 1HE TYR 67 5.885 -1.591 -12.892 515 HE2 TYR 67 2HE TYR 67 7.435 2.286 -13.771 516 HH TYR 67 HH TYR 67 8.199 0.125 -14.674 517 H VAL 68 H VAL 68 6.203 4.383 -8.626 518 HA VAL 68 HA VAL 68 4.428 4.804 -6.343 519 HB VAL 68 HB VAL 68 6.090 6.388 -5.372 520 1HG1 VAL 68 1HG1 VAL 68 7.454 4.659 -4.306 521 2HG1 VAL 68 2HG1 VAL 68 6.964 3.510 -5.552 522 3HG1 VAL 68 3HG1 VAL 68 5.766 4.160 -4.432 523 1HG2 VAL 68 1HG2 VAL 68 7.982 5.058 -7.303 524 2HG2 VAL 68 2HG2 VAL 68 8.437 6.174 -6.017 525 3HG2 VAL 68 3HG2 VAL 68 7.451 6.738 -7.365 526 H GLU 69 H GLU 69 5.031 5.534 -9.426 527 HA GLU 69 HA GLU 69 5.083 8.326 -9.568 528 1HB GLU 69 1HB GLU 69 3.790 6.417 -11.524 529 2HB GLU 69 2HB GLU 69 4.259 8.078 -11.855 530 1HG GLU 69 1HG GLU 69 6.590 7.518 -11.539 531 2HG GLU 69 2HG GLU 69 6.156 5.867 -11.102 532 HA PRO 70 HA PRO 70 0.245 8.267 -9.750 533 1HB PRO 70 1HB PRO 70 -1.012 6.064 -8.756 534 2HB PRO 70 2HB PRO 70 -0.617 6.271 -10.465 535 1HG PRO 70 1HG PRO 70 0.818 4.703 -8.364 536 2HG PRO 70 2HG PRO 70 0.493 4.280 -10.054 537 1HD PRO 70 1HD PRO 70 2.898 5.196 -9.207 538 2HD PRO 70 2HD PRO 70 2.268 5.515 -10.835 539 H VAL 71 H VAL 71 1.904 6.614 -7.126 540 HA VAL 71 HA VAL 71 0.131 7.309 -5.040 541 HB VAL 71 HB VAL 71 3.113 6.922 -4.771 542 1HG1 VAL 71 1HG1 VAL 71 0.850 6.451 -2.832 543 2HG1 VAL 71 2HG1 VAL 71 1.985 7.800 -2.786 544 3HG1 VAL 71 3HG1 VAL 71 2.561 6.154 -2.522 545 1HG2 VAL 71 1HG2 VAL 71 2.624 4.543 -4.403 546 2HG2 VAL 71 2HG2 VAL 71 2.191 5.062 -6.032 547 3HG2 VAL 71 3HG2 VAL 71 0.934 4.837 -4.816 548 H TYR 72 H TYR 72 3.106 8.886 -6.197 549 HA TYR 72 HA TYR 72 3.236 10.965 -4.389 550 1HB TYR 72 1HB TYR 72 3.953 10.871 -7.320 551 2HB TYR 72 2HB TYR 72 4.287 12.274 -6.314 552 HD1 TYR 72 1HD TYR 72 6.663 11.791 -7.153 553 HD2 TYR 72 2HD TYR 72 4.581 9.204 -4.487 554 HE1 TYR 72 1HE TYR 72 8.798 10.790 -6.462 555 HE2 TYR 72 2HE TYR 72 6.713 8.200 -3.792 556 HH TYR 72 HH TYR 72 8.989 7.916 -4.672 557 H LYS 73 H LYS 73 0.924 10.396 -6.861 558 HA LYS 73 HA LYS 73 -0.029 13.120 -6.985 559 1HB LYS 73 1HB LYS 73 -0.143 11.668 -8.964 560 2HB LYS 73 2HB LYS 73 -1.207 10.566 -8.101 561 1HG LYS 73 1HG LYS 73 -2.566 11.884 -9.522 562 2HG LYS 73 2HG LYS 73 -2.838 12.454 -7.875 563 1HD LYS 73 1HD LYS 73 -1.033 14.202 -8.389 564 2HD LYS 73 2HD LYS 73 -1.269 13.758 -10.079 565 1HE LYS 73 1HE LYS 73 -3.699 14.250 -9.790 566 2HE LYS 73 2HE LYS 73 -3.333 14.854 -8.175 567 1HZ LYS 73 1HZ LYS 73 -2.261 15.936 -10.725 568 2HZ LYS 73 2HZ LYS 73 -1.857 16.498 -9.181 569 3HZ LYS 73 3HZ LYS 73 -3.441 16.660 -9.751 570 H MET 74 H MET 74 -0.982 10.098 -5.417 571 HA MET 74 HA MET 74 -3.484 11.106 -4.462 572 1HB MET 74 1HB MET 74 -2.055 8.786 -3.209 573 2HB MET 74 2HB MET 74 -3.781 9.028 -3.448 574 1HG MET 74 1HG MET 74 -3.301 8.832 -5.935 575 2HG MET 74 2HG MET 74 -1.711 8.234 -5.462 576 1HE MET 74 1HE MET 74 -1.328 5.960 -4.087 577 2HE MET 74 2HE MET 74 -2.659 5.011 -3.424 578 3HE MET 74 3HE MET 74 -2.353 6.640 -2.825 579 H ILE 75 H ILE 75 -0.271 10.586 -3.081 580 HA ILE 75 HA ILE 75 -0.701 11.209 -0.442 581 HB ILE 75 HB ILE 75 1.669 12.138 -2.077 582 1HG1 ILE 75 1HG1 ILE 75 1.406 9.570 -0.507 583 2HG1 ILE 75 2HG1 ILE 75 1.090 9.670 -2.235 584 1HG2 ILE 75 1HG2 ILE 75 1.415 11.574 0.874 585 2HG2 ILE 75 2HG2 ILE 75 1.527 13.169 0.134 586 3HG2 ILE 75 3HG2 ILE 75 2.889 12.053 0.032 587 1HD1 ILE 75 1HD1 ILE 75 3.318 8.842 -1.829 588 2HD1 ILE 75 2HD1 ILE 75 3.699 10.266 -0.862 589 3HD1 ILE 75 3HD1 ILE 75 3.395 10.431 -2.591 590 H GLU 76 H GLU 76 -0.856 13.280 -3.200 591 HA GLU 76 HA GLU 76 -0.487 15.774 -1.908 592 1HB GLU 76 1HB GLU 76 -1.986 15.061 -4.432 593 2HB GLU 76 2HB GLU 76 -1.680 16.709 -3.903 594 1HG GLU 76 1HG GLU 76 0.760 16.190 -3.968 595 2HG GLU 76 2HG GLU 76 0.349 14.644 -4.704 596 H VAL 77 H VAL 77 -3.527 14.226 -2.998 597 HA VAL 77 HA VAL 77 -5.108 16.051 -1.418 598 HB VAL 77 HB VAL 77 -5.983 13.588 -2.936 599 1HG1 VAL 77 1HG1 VAL 77 -7.570 15.915 -1.858 600 2HG1 VAL 77 2HG1 VAL 77 -7.598 14.259 -1.252 601 3HG1 VAL 77 3HG1 VAL 77 -8.210 14.618 -2.866 602 1HG2 VAL 77 1HG2 VAL 77 -6.644 15.138 -4.708 603 2HG2 VAL 77 2HG2 VAL 77 -4.909 15.218 -4.402 604 3HG2 VAL 77 3HG2 VAL 77 -5.972 16.483 -3.786 605 H VAL 78 H VAL 78 -4.340 12.605 -1.356 606 HA VAL 78 HA VAL 78 -5.851 11.682 0.706 607 HB VAL 78 HB VAL 78 -3.042 10.990 -0.134 608 1HG1 VAL 78 1HG1 VAL 78 -4.645 9.624 2.036 609 2HG1 VAL 78 2HG1 VAL 78 -3.144 10.522 2.261 610 3HG1 VAL 78 3HG1 VAL 78 -3.144 9.021 1.335 611 1HG2 VAL 78 1HG2 VAL 78 -4.829 10.359 -1.637 612 2HG2 VAL 78 2HG2 VAL 78 -5.690 9.557 -0.324 613 3HG2 VAL 78 3HG2 VAL 78 -4.143 8.919 -0.883 614 H HIS 79 H HIS 79 -2.839 13.506 0.959 615 HA HIS 79 HA HIS 79 -3.182 13.643 3.871 616 1HB HIS 79 1HB HIS 79 -0.750 14.164 2.149 617 2HB HIS 79 2HB HIS 79 -0.810 14.445 3.886 618 HD1 HIS 79 1HD HIS 79 -0.531 12.442 5.406 619 HD2 HIS 79 2HD HIS 79 -0.844 11.410 1.395 620 HE1 HIS 79 1HE HIS 79 0.047 9.998 5.294 621 HE2 HIS 79 2HE HIS 79 -0.210 9.381 2.864 622 H ALA 80 H ALA 80 -4.976 15.186 2.702 623 HA ALA 80 HA ALA 80 -4.149 17.779 1.956 624 1HB ALA 80 1HB ALA 80 -6.482 18.410 2.226 625 2HB ALA 80 2HB ALA 80 -6.803 16.908 3.093 626 3HB ALA 80 3HB ALA 80 -6.348 16.863 1.390 627 H GLY 81 H GLY 81 -3.342 19.366 3.154 628 1HA GLY 81 1HA GLY 81 -4.127 20.656 5.289 629 2HA GLY 81 2HA GLY 81 -3.564 19.189 6.073 630 H ASN 82 H ASN 82 -1.282 18.579 5.670 631 HA ASN 82 HA ASN 82 0.388 20.979 5.751 632 1HB ASN 82 1HB ASN 82 1.005 18.112 6.488 633 2HB ASN 82 2HB ASN 82 2.125 19.458 6.658 634 1HD2 ASN 82 1HD2 ASN 82 1.782 20.985 8.257 635 2HD2 ASN 82 2HD2 ASN 82 0.710 20.704 9.581 636 H ALA 83 H ALA 83 2.147 21.305 4.428 637 HA ALA 83 HA ALA 83 2.033 20.019 1.848 638 1HB ALA 83 1HB ALA 83 2.386 22.438 2.032 639 2HB ALA 83 2HB ALA 83 3.715 21.648 1.183 640 3HB ALA 83 3HB ALA 83 3.915 22.150 2.862 641 H ASP 84 H ASP 84 4.040 19.856 4.706 642 HA ASP 84 HA ASP 84 6.165 18.443 3.370 643 1HB ASP 84 1HB ASP 84 5.693 18.719 6.343 644 2HB ASP 84 2HB ASP 84 7.182 18.214 5.544 645 H ASP 85 H ASP 85 3.226 17.627 5.060 646 HA ASP 85 HA ASP 85 3.797 14.964 5.724 647 1HB ASP 85 1HB ASP 85 1.228 16.375 5.007 648 2HB ASP 85 2HB ASP 85 1.254 14.647 5.347 649 H ILE 86 H ILE 86 3.261 16.553 2.748 650 HA ILE 86 HA ILE 86 2.812 14.136 1.225 651 HB ILE 86 HB ILE 86 3.288 16.974 0.287 652 1HG1 ILE 86 1HG1 ILE 86 0.681 15.455 0.497 653 2HG1 ILE 86 2HG1 ILE 86 1.234 16.630 1.685 654 1HG2 ILE 86 1HG2 ILE 86 2.381 16.208 -1.850 655 2HG2 ILE 86 2HG2 ILE 86 2.240 14.572 -1.210 656 3HG2 ILE 86 3HG2 ILE 86 3.831 15.304 -1.415 657 1HD1 ILE 86 1HD1 ILE 86 1.207 18.369 -0.029 658 2HD1 ILE 86 2HD1 ILE 86 -0.375 17.614 0.165 659 3HD1 ILE 86 3HD1 ILE 86 0.642 17.191 -1.211 660 H GLN 87 H GLN 87 5.360 16.376 2.028 661 HA GLN 87 HA GLN 87 7.258 15.382 0.138 662 1HB GLN 87 1HB GLN 87 7.633 17.063 2.613 663 2HB GLN 87 2HB GLN 87 8.885 16.743 1.421 664 1HG GLN 87 1HG GLN 87 7.415 17.822 -0.281 665 2HG GLN 87 2HG GLN 87 6.336 18.274 1.036 666 1HE2 GLN 87 1HE2 GLN 87 6.988 19.827 2.523 667 2HE2 GLN 87 2HE2 GLN 87 8.317 20.888 2.221 668 H LEU 88 H LEU 88 6.189 14.414 3.248 669 HA LEU 88 HA LEU 88 8.588 12.965 3.934 670 1HB LEU 88 1HB LEU 88 7.118 13.969 5.652 671 2HB LEU 88 2HB LEU 88 5.846 12.855 5.190 672 HG LEU 88 HG LEU 88 7.329 10.967 5.861 673 1HD1 LEU 88 1HD1 LEU 88 9.283 11.443 7.238 674 2HD1 LEU 88 2HD1 LEU 88 9.069 13.170 6.956 675 3HD1 LEU 88 3HD1 LEU 88 9.475 12.101 5.613 676 1HD2 LEU 88 1HD2 LEU 88 7.050 11.306 8.273 677 2HD2 LEU 88 2HD2 LEU 88 5.615 11.796 7.372 678 3HD2 LEU 88 3HD2 LEU 88 6.729 13.017 7.989 679 H VAL 89 H VAL 89 5.230 12.034 3.176 680 HA VAL 89 HA VAL 89 5.611 9.281 3.083 681 HB VAL 89 HB VAL 89 3.693 10.895 1.400 682 1HG1 VAL 89 1HG1 VAL 89 3.865 8.633 0.587 683 2HG1 VAL 89 2HG1 VAL 89 2.331 8.827 1.435 684 3HG1 VAL 89 3HG1 VAL 89 3.674 7.993 2.219 685 1HG2 VAL 89 1HG2 VAL 89 2.090 10.572 3.186 686 2HG2 VAL 89 2HG2 VAL 89 3.526 11.387 3.807 687 3HG2 VAL 89 3HG2 VAL 89 3.281 9.670 4.124 688 H LYS 90 H LYS 90 6.282 11.735 0.677 689 HA LYS 90 HA LYS 90 6.540 10.140 -1.596 690 1HB LYS 90 1HB LYS 90 7.206 12.821 -0.819 691 2HB LYS 90 2HB LYS 90 8.546 12.131 -1.723 692 1HG LYS 90 1HG LYS 90 7.464 12.582 -3.598 693 2HG LYS 90 2HG LYS 90 6.208 11.445 -3.122 694 1HD LYS 90 1HD LYS 90 5.022 13.211 -1.946 695 2HD LYS 90 2HD LYS 90 6.296 14.352 -2.380 696 1HE LYS 90 1HE LYS 90 4.580 12.851 -4.346 697 2HE LYS 90 2HE LYS 90 4.310 14.514 -3.837 698 1HZ LYS 90 1HZ LYS 90 6.731 13.508 -5.230 699 2HZ LYS 90 2HZ LYS 90 6.471 15.106 -4.742 700 3HZ LYS 90 3HZ LYS 90 5.492 14.419 -5.937 701 H GLY 91 H GLY 91 8.750 10.710 1.070 702 1HA GLY 91 1HA GLY 91 10.924 9.293 -0.226 703 2HA GLY 91 2HA GLY 91 10.943 9.979 1.391 704 H ILE 92 H ILE 92 8.377 8.602 2.039 705 HA ILE 92 HA ILE 92 9.502 6.239 3.139 706 HB ILE 92 HB ILE 92 6.577 6.946 2.894 707 1HG1 ILE 92 1HG1 ILE 92 7.789 8.745 4.011 708 2HG1 ILE 92 2HG1 ILE 92 6.804 7.867 5.174 709 1HG2 ILE 92 1HG2 ILE 92 6.304 5.472 4.837 710 2HG2 ILE 92 2HG2 ILE 92 8.019 5.073 4.764 711 3HG2 ILE 92 3HG2 ILE 92 6.949 4.612 3.441 712 1HD1 ILE 92 1HD1 ILE 92 9.776 7.621 4.785 713 2HD1 ILE 92 2HD1 ILE 92 8.818 6.638 5.890 714 3HD1 ILE 92 3HD1 ILE 92 8.941 8.378 6.139 715 H ALA 93 H ALA 93 7.438 6.910 0.363 716 HA ALA 93 HA ALA 93 6.842 4.210 -0.267 717 1HB ALA 93 1HB ALA 93 6.896 6.597 -2.111 718 2HB ALA 93 2HB ALA 93 5.532 6.124 -1.098 719 3HB ALA 93 3HB ALA 93 6.073 5.066 -2.401 720 H ASN 94 H ASN 94 9.637 6.133 -0.655 721 HA ASN 94 HA ASN 94 10.742 4.607 -2.848 722 1HB ASN 94 1HB ASN 94 11.254 6.998 -2.635 723 2HB ASN 94 2HB ASN 94 12.001 6.706 -1.068 724 1HD2 ASN 94 1HD2 ASN 94 12.311 6.358 -4.505 725 2HD2 ASN 94 2HD2 ASN 94 13.988 5.944 -4.517 726 H GLU 95 H GLU 95 10.902 4.660 0.631 727 HA GLU 95 HA GLU 95 13.244 3.055 0.889 728 1HB GLU 95 1HB GLU 95 11.843 4.599 2.606 729 2HB GLU 95 2HB GLU 95 11.225 3.016 3.061 730 1HG GLU 95 1HG GLU 95 14.110 3.879 3.043 731 2HG GLU 95 2HG GLU 95 13.093 3.627 4.460 732 H CYS 96 H CYS 96 9.868 2.394 0.414 733 HA CYS 96 HA CYS 96 9.979 -0.345 1.267 734 1HB CYS 96 1HB CYS 96 7.885 0.860 -0.536 735 2HB CYS 96 2HB CYS 96 7.719 -0.500 0.565 736 H ILE 97 H ILE 97 10.716 1.355 -1.645 737 HA ILE 97 HA ILE 97 10.379 -0.846 -3.443 738 HB ILE 97 HB ILE 97 12.042 1.654 -3.799 739 1HG1 ILE 97 1HG1 ILE 97 9.227 1.080 -4.751 740 2HG1 ILE 97 2HG1 ILE 97 9.616 2.064 -3.344 741 1HG2 ILE 97 1HG2 ILE 97 12.694 -0.093 -5.345 742 2HG2 ILE 97 2HG2 ILE 97 11.817 1.174 -6.205 743 3HG2 ILE 97 3HG2 ILE 97 11.011 -0.344 -5.809 744 1HD1 ILE 97 1HD1 ILE 97 9.126 3.450 -5.271 745 2HD1 ILE 97 2HD1 ILE 97 10.407 2.657 -6.186 746 3HD1 ILE 97 3HD1 ILE 97 10.808 3.639 -4.778 747 H GLU 98 H GLU 98 13.225 0.681 -1.940 748 HA GLU 98 HA GLU 98 15.087 -1.159 -3.033 749 1HB GLU 98 1HB GLU 98 16.610 -0.240 -1.234 750 2HB GLU 98 2HB GLU 98 15.933 0.946 -2.341 751 1HG GLU 98 1HG GLU 98 14.277 1.575 -0.680 752 2HG GLU 98 2HG GLU 98 14.905 0.351 0.424 753 H ASN 99 H ASN 99 13.364 -0.968 0.038 754 HA ASN 99 HA ASN 99 14.631 -3.052 1.387 755 1HB ASN 99 1HB ASN 99 13.169 -1.643 2.623 756 2HB ASN 99 2HB ASN 99 11.817 -1.977 1.544 757 1HD2 ASN 99 1HD2 ASN 99 10.729 -3.931 1.706 758 2HD2 ASN 99 2HD2 ASN 99 10.867 -4.946 3.096 759 H ALA 100 H ALA 100 11.746 -3.140 -0.697 760 HA ALA 100 HA ALA 100 11.507 -5.994 -0.513 761 1HB ALA 100 1HB ALA 100 9.725 -5.759 -2.156 762 2HB ALA 100 2HB ALA 100 10.179 -4.076 -2.423 763 3HB ALA 100 3HB ALA 100 9.542 -4.579 -0.859 764 H LYS 101 H LYS 101 13.416 -3.878 -2.265 765 HA LYS 101 HA LYS 101 14.569 -3.958 -4.245 766 1HB LYS 101 1HB LYS 101 15.852 -6.403 -4.064 767 2HB LYS 101 2HB LYS 101 16.384 -4.880 -3.369 768 1HG LYS 101 1HG LYS 101 16.466 -6.171 -1.512 769 2HG LYS 101 2HG LYS 101 14.787 -5.651 -1.399 770 1HD LYS 101 1HD LYS 101 14.133 -7.729 -2.601 771 2HD LYS 101 2HD LYS 101 15.815 -8.258 -2.487 772 1HE LYS 101 1HE LYS 101 14.298 -7.414 -0.051 773 2HE LYS 101 2HE LYS 101 14.138 -9.041 -0.693 774 1HZ LYS 101 1HZ LYS 101 15.837 -8.924 1.021 775 2HZ LYS 101 2HZ LYS 101 16.684 -7.762 0.131 776 3HZ LYS 101 3HZ LYS 101 16.523 -9.334 -0.471 777 H GLY 102 H GLY 102 11.876 -4.993 -4.634 778 1HA GLY 102 1HA GLY 102 10.667 -6.033 -6.280 779 2HA GLY 102 2HA GLY 102 12.130 -5.943 -7.248 780 H GLU 103 H GLU 103 10.618 -7.857 -4.660 781 HA GLU 103 HA GLU 103 12.260 -10.118 -4.940 782 1HB GLU 103 1HB GLU 103 9.481 -9.732 -3.854 783 2HB GLU 103 2HB GLU 103 10.235 -11.317 -3.894 784 1HG GLU 103 1HG GLU 103 11.361 -8.898 -2.505 785 2HG GLU 103 2HG GLU 103 10.471 -10.202 -1.722 786 H THR 104 H THR 104 11.447 -12.299 -5.680 787 HA THR 104 HA THR 104 10.708 -12.082 -8.447 788 HB THR 104 HB THR 104 10.947 -14.542 -8.489 789 HG1 THR 104 1HG THR 104 10.280 -15.105 -6.425 790 1HG2 THR 104 1HG2 THR 104 13.339 -14.621 -7.973 791 2HG2 THR 104 2HG2 THR 104 13.196 -13.119 -7.059 792 3HG2 THR 104 3HG2 THR 104 12.921 -13.122 -8.802 793 H ASP 105 H ASP 105 9.177 -13.298 -5.505 794 HA ASP 105 HA ASP 105 6.793 -14.050 -6.998 795 1HB ASP 105 1HB ASP 105 7.641 -15.545 -5.222 796 2HB ASP 105 2HB ASP 105 7.369 -14.272 -4.039 797 H GLU 106 H GLU 106 4.810 -13.084 -6.802 798 HA GLU 106 HA GLU 106 4.676 -10.344 -6.409 799 1HB GLU 106 1HB GLU 106 3.004 -11.473 -7.709 800 2HB GLU 106 2HB GLU 106 2.493 -12.427 -6.324 801 1HG GLU 106 1HG GLU 106 0.894 -10.684 -6.767 802 2HG GLU 106 2HG GLU 106 1.697 -10.386 -5.228 803 H CYS 107 H CYS 107 3.054 -12.722 -4.291 804 HA CYS 107 HA CYS 107 2.457 -11.039 -2.215 805 1HB CYS 107 1HB CYS 107 3.073 -13.985 -2.248 806 2HB CYS 107 2HB CYS 107 2.588 -13.152 -0.775 807 H ASN 108 H ASN 108 5.520 -12.657 -2.884 808 HA ASN 108 HA ASN 108 6.795 -12.112 -0.443 809 1HB ASN 108 1HB ASN 108 7.656 -13.545 -2.399 810 2HB ASN 108 2HB ASN 108 8.194 -12.031 -3.121 811 1HD2 ASN 108 1HD2 ASN 108 9.790 -14.269 -2.280 812 2HD2 ASN 108 2HD2 ASN 108 10.882 -13.680 -1.077 813 H ILE 109 H ILE 109 6.720 -10.291 -3.484 814 HA ILE 109 HA ILE 109 8.071 -8.012 -2.653 815 HB ILE 109 HB ILE 109 6.362 -8.793 -4.882 816 1HG1 ILE 109 1HG1 ILE 109 8.607 -6.785 -4.645 817 2HG1 ILE 109 2HG1 ILE 109 8.795 -8.500 -4.983 818 1HG2 ILE 109 1HG2 ILE 109 4.898 -7.031 -4.155 819 2HG2 ILE 109 2HG2 ILE 109 5.766 -6.503 -5.596 820 3HG2 ILE 109 3HG2 ILE 109 6.253 -5.912 -4.008 821 1HD1 ILE 109 1HD1 ILE 109 8.994 -7.229 -7.014 822 2HD1 ILE 109 2HD1 ILE 109 7.421 -6.483 -6.732 823 3HD1 ILE 109 3HD1 ILE 109 7.529 -8.211 -7.063 824 H GLY 110 H GLY 110 4.755 -9.039 -2.214 825 1HA GLY 110 1HA GLY 110 3.650 -6.554 -1.452 826 2HA GLY 110 2HA GLY 110 2.974 -8.140 -1.100 827 H ASN 111 H ASN 111 4.562 -9.336 0.594 828 HA ASN 111 HA ASN 111 4.079 -8.019 3.016 829 1HB ASN 111 1HB ASN 111 4.307 -10.466 2.818 830 2HB ASN 111 2HB ASN 111 6.024 -10.278 2.497 831 1HD2 ASN 111 1HD2 ASN 111 4.179 -8.416 4.860 832 2HD2 ASN 111 2HD2 ASN 111 4.936 -9.090 6.235 833 H LYS 112 H LYS 112 6.764 -7.828 0.859 834 HA LYS 112 HA LYS 112 8.519 -6.653 2.851 835 1HB LYS 112 1HB LYS 112 8.888 -7.131 -0.107 836 2HB LYS 112 2HB LYS 112 10.119 -6.462 0.954 837 1HG LYS 112 1HG LYS 112 8.863 -9.176 1.298 838 2HG LYS 112 2HG LYS 112 10.403 -8.874 0.493 839 1HD LYS 112 1HD LYS 112 11.320 -7.949 2.547 840 2HD LYS 112 2HD LYS 112 9.768 -8.171 3.358 841 1HE LYS 112 1HE LYS 112 9.945 -10.583 3.059 842 2HE LYS 112 2HE LYS 112 11.473 -10.378 2.205 843 1HZ LYS 112 1HZ LYS 112 11.797 -11.005 4.525 844 2HZ LYS 112 2HZ LYS 112 10.976 -9.618 5.034 845 3HZ LYS 112 3HZ LYS 112 12.446 -9.475 4.212 846 H TYR 113 H TYR 113 6.439 -5.612 0.238 847 HA TYR 113 HA TYR 113 7.522 -2.933 0.192 848 1HB TYR 113 1HB TYR 113 6.561 -4.102 -1.826 849 2HB TYR 113 2HB TYR 113 4.970 -3.900 -1.100 850 HD1 TYR 113 1HD TYR 113 3.835 -1.809 -1.191 851 HD2 TYR 113 2HD TYR 113 7.872 -2.096 -2.499 852 HE1 TYR 113 1HE TYR 113 3.667 0.435 -2.182 853 HE2 TYR 113 2HE TYR 113 7.718 0.147 -3.493 854 HH TYR 113 HH TYR 113 5.156 2.276 -2.840 855 H THR 114 H THR 114 4.228 -4.169 0.844 856 HA THR 114 HA THR 114 3.199 -1.831 1.914 857 HB THR 114 HB THR 114 1.873 -3.885 1.313 858 HG1 THR 114 1HG THR 114 1.332 -2.008 2.965 859 1HG2 THR 114 1HG2 THR 114 3.337 -5.437 2.684 860 2HG2 THR 114 2HG2 THR 114 1.597 -5.654 2.874 861 3HG2 THR 114 3HG2 THR 114 2.522 -4.803 4.111 862 H ASP 115 H ASP 115 5.215 -4.251 3.428 863 HA ASP 115 HA ASP 115 4.804 -3.693 6.118 864 1HB ASP 115 1HB ASP 115 6.141 -5.576 5.510 865 2HB ASP 115 2HB ASP 115 7.290 -4.559 4.642 866 H CYS 116 H CYS 116 7.407 -2.386 4.064 867 HA CYS 116 HA CYS 116 8.508 -0.606 5.840 868 1HB CYS 116 1HB CYS 116 9.788 -0.630 3.978 869 2HB CYS 116 2HB CYS 116 8.409 -0.866 2.908 870 H TYR 117 H TYR 117 5.632 -0.179 3.852 871 HA TYR 117 HA TYR 117 5.287 2.580 4.300 872 1HB TYR 117 1HB TYR 117 3.994 0.635 2.820 873 2HB TYR 117 2HB TYR 117 2.796 1.068 4.035 874 HD1 TYR 117 1HD TYR 117 1.214 2.438 3.061 875 HD2 TYR 117 2HD TYR 117 5.320 3.102 2.159 876 HE1 TYR 117 1HE TYR 117 0.601 4.425 1.751 877 HE2 TYR 117 2HE TYR 117 4.716 5.093 0.849 878 HH TYR 117 HH TYR 117 1.654 6.523 0.982 879 H ILE 118 H ILE 118 4.359 -0.254 6.143 880 HA ILE 118 HA ILE 118 2.759 1.230 8.038 881 HB ILE 118 HB ILE 118 3.781 -1.611 8.199 882 1HG1 ILE 118 1HG1 ILE 118 2.355 -1.211 6.214 883 2HG1 ILE 118 2HG1 ILE 118 1.597 -2.292 7.376 884 1HG2 ILE 118 1HG2 ILE 118 3.155 -0.760 10.372 885 2HG2 ILE 118 2HG2 ILE 118 1.951 -1.923 9.819 886 3HG2 ILE 118 3HG2 ILE 118 1.609 -0.195 9.738 887 1HD1 ILE 118 1HD1 ILE 118 0.179 -0.500 8.162 888 2HD1 ILE 118 2HD1 ILE 118 0.024 -0.682 6.414 889 3HD1 ILE 118 3HD1 ILE 118 0.985 0.638 7.083 890 H GLU 119 H GLU 119 6.061 0.172 7.737 891 HA GLU 119 HA GLU 119 6.759 0.290 10.480 892 1HB GLU 119 1HB GLU 119 8.456 0.482 7.993 893 2HB GLU 119 2HB GLU 119 9.106 0.374 9.622 894 1HG GLU 119 1HG GLU 119 7.990 -1.795 9.905 895 2HG GLU 119 2HG GLU 119 7.402 -1.689 8.247 896 H LYS 120 H LYS 120 7.562 2.569 7.833 897 HA LYS 120 HA LYS 120 8.369 4.543 9.796 898 1HB LYS 120 1HB LYS 120 8.294 4.827 6.797 899 2HB LYS 120 2HB LYS 120 9.163 5.843 7.937 900 1HG LYS 120 1HG LYS 120 10.926 4.568 7.481 901 2HG LYS 120 2HG LYS 120 10.149 3.342 8.487 902 1HD LYS 120 1HD LYS 120 9.031 2.449 6.481 903 2HD LYS 120 2HD LYS 120 9.890 3.633 5.496 904 1HE LYS 120 1HE LYS 120 11.029 1.508 5.386 905 2HE LYS 120 2HE LYS 120 12.027 2.669 6.260 906 1HZ LYS 120 1HZ LYS 120 12.003 0.522 7.360 907 2HZ LYS 120 2HZ LYS 120 10.318 0.580 7.499 908 3HZ LYS 120 3HZ LYS 120 11.273 1.695 8.340 909 H LEU 121 H LEU 121 5.820 4.237 7.326 910 HA LEU 121 HA LEU 121 4.716 6.793 8.236 911 1HB LEU 121 1HB LEU 121 5.078 6.481 5.828 912 2HB LEU 121 2HB LEU 121 3.981 5.116 5.844 913 HG LEU 121 HG LEU 121 2.129 6.595 6.461 914 1HD1 LEU 121 1HD1 LEU 121 2.421 9.022 6.399 915 2HD1 LEU 121 2HD1 LEU 121 4.159 8.809 6.186 916 3HD1 LEU 121 3HD1 LEU 121 3.383 8.290 7.682 917 1HD2 LEU 121 1HD2 LEU 121 2.565 6.133 4.113 918 2HD2 LEU 121 2HD2 LEU 121 3.671 7.504 4.036 919 3HD2 LEU 121 3HD2 LEU 121 1.951 7.773 4.324 920 H PHE 122 H PHE 122 4.160 3.440 8.627 921 HA PHE 122 HA PHE 122 2.536 2.284 9.729 922 1HB PHE 122 1HB PHE 122 2.367 3.625 11.573 923 2HB PHE 122 2HB PHE 122 2.072 5.076 10.627 924 HD1 PHE 122 1HD PHE 122 0.469 1.960 11.836 925 HD2 PHE 122 2HD PHE 122 -0.085 5.925 10.396 926 HE1 PHE 122 1HE PHE 122 -1.924 1.814 12.370 927 HE2 PHE 122 2HE PHE 122 -2.482 5.789 10.930 928 HZ PHE 122 HZ PHE 122 -3.408 3.733 11.917 929 H SER 123 H SER 123 1.866 4.442 7.224 930 HA SER 123 HA SER 123 -0.879 4.264 6.858 931 1HB SER 123 1HB SER 123 0.529 5.766 5.545 932 2HB SER 123 2HB SER 123 1.304 4.388 4.765 933 HG SER 123 HG SER 123 -1.005 5.620 4.135 934 1H4 TSD 124 1H4 TSP 124 -0.984 -0.620 1.907 935 2H4 TSD 124 2H4 TSP 124 -1.442 -0.534 3.592 936 3H4 TSD 124 3H4 TSP 124 -0.434 0.715 2.897 937 1H5 TSD 124 1H5 TSP 124 -1.822 2.928 3.351 938 2H5 TSD 124 2H5 TSP 124 -3.250 2.348 4.177 939 3H5 TSD 124 3H5 TSP 124 -3.408 3.261 2.694 940 1H6 TSD 124 1H6 TSP 124 -4.946 0.160 1.772 941 2H6 TSD 124 2H6 TSP 124 -4.680 0.286 3.495 942 3H6 TSD 124 3H6 TSP 124 -3.982 -1.042 2.598 943 1D3 TSD 124 1D3 TSP 124 -3.540 1.980 0.236 944 2D3 TSD 124 2D3 TSP 124 -1.791 2.029 0.327 945 1D2 TSD 124 1D2 TSP 124 -3.440 -0.428 -0.345 946 2D2 TSD 124 2D2 TSP 124 -1.680 -0.363 -0.275 Start of MODEL 14 1 HA ILE 1 HA ILE 1 -1.676 15.755 10.693 2 HB ILE 1 HB ILE 1 -0.071 15.338 8.876 3 1HG1 ILE 1 1HG1 ILE 1 -1.585 13.972 7.429 4 2HG1 ILE 1 2HG1 ILE 1 -2.519 13.563 8.863 5 1HG2 ILE 1 1HG2 ILE 1 0.473 13.020 8.235 6 2HG2 ILE 1 2HG2 ILE 1 -0.291 12.455 9.721 7 3HG2 ILE 1 3HG2 ILE 1 1.147 13.475 9.799 8 1HD1 ILE 1 1HD1 ILE 1 -3.008 15.948 9.192 9 2HD1 ILE 1 2HD1 ILE 1 -3.599 15.336 7.646 10 3HD1 ILE 1 3HD1 ILE 1 -2.129 16.312 7.707 11 H ASP 2 H ASP 2 -3.563 14.582 10.757 12 HA ASP 2 HA ASP 2 -3.734 12.558 12.752 13 1HB ASP 2 1HB ASP 2 -5.521 14.237 12.311 14 2HB ASP 2 2HB ASP 2 -5.854 13.434 10.780 15 H GLN 3 H GLN 3 -4.148 10.393 12.571 16 HA GLN 3 HA GLN 3 -3.050 9.011 10.390 17 1HB GLN 3 1HB GLN 3 -4.859 8.047 12.608 18 2HB GLN 3 2HB GLN 3 -4.039 6.985 11.473 19 1HG GLN 3 1HG GLN 3 -2.763 7.010 13.462 20 2HG GLN 3 2HG GLN 3 -1.873 7.946 12.263 21 1HE2 GLN 3 1HE2 GLN 3 -3.740 8.070 15.196 22 2HE2 GLN 3 2HE2 GLN 3 -3.296 9.677 15.649 23 H ASP 4 H ASP 4 -6.125 10.403 10.760 24 HA ASP 4 HA ASP 4 -7.706 8.603 9.266 25 1HB ASP 4 1HB ASP 4 -8.685 10.355 10.672 26 2HB ASP 4 2HB ASP 4 -8.014 11.594 9.616 27 H THR 5 H THR 5 -5.641 11.296 8.341 28 HA THR 5 HA THR 5 -6.389 11.642 5.690 29 HB THR 5 HB THR 5 -4.684 12.974 7.082 30 HG1 THR 5 1HG THR 5 -4.033 13.858 5.213 31 1HG2 THR 5 1HG2 THR 5 -2.346 12.391 6.744 32 2HG2 THR 5 2HG2 THR 5 -2.814 10.951 5.841 33 3HG2 THR 5 3HG2 THR 5 -3.183 11.071 7.561 34 H VAL 6 H VAL 6 -4.531 9.096 7.151 35 HA VAL 6 HA VAL 6 -3.599 8.084 4.598 36 HB VAL 6 HB VAL 6 -3.358 6.760 7.297 37 1HG1 VAL 6 1HG1 VAL 6 -1.447 5.625 6.281 38 2HG1 VAL 6 2HG1 VAL 6 -1.758 6.458 4.759 39 3HG1 VAL 6 3HG1 VAL 6 -2.932 5.302 5.388 40 1HG2 VAL 6 1HG2 VAL 6 -1.110 7.778 7.395 41 2HG2 VAL 6 2HG2 VAL 6 -2.406 8.973 7.457 42 3HG2 VAL 6 3HG2 VAL 6 -1.505 8.726 5.962 43 H VAL 7 H VAL 7 -5.415 6.589 7.284 44 HA VAL 7 HA VAL 7 -6.297 4.376 5.817 45 HB VAL 7 HB VAL 7 -7.609 5.628 8.231 46 1HG1 VAL 7 1HG1 VAL 7 -8.497 3.368 8.632 47 2HG1 VAL 7 2HG1 VAL 7 -7.812 2.841 7.093 48 3HG1 VAL 7 3HG1 VAL 7 -9.088 4.058 7.119 49 1HG2 VAL 7 1HG2 VAL 7 -5.251 5.120 8.617 50 2HG2 VAL 7 2HG2 VAL 7 -5.506 3.470 8.048 51 3HG2 VAL 7 3HG2 VAL 7 -6.292 4.024 9.527 52 H ALA 8 H ALA 8 -8.290 7.147 6.867 53 HA ALA 8 HA ALA 8 -10.588 6.483 5.487 54 1HB ALA 8 1HB ALA 8 -10.427 8.226 7.219 55 2HB ALA 8 2HB ALA 8 -11.290 8.768 5.779 56 3HB ALA 8 3HB ALA 8 -9.624 9.279 6.055 57 H LYS 9 H LYS 9 -7.672 7.948 4.198 58 HA LYS 9 HA LYS 9 -9.045 8.718 1.750 59 1HB LYS 9 1HB LYS 9 -6.183 8.986 2.645 60 2HB LYS 9 2HB LYS 9 -6.722 9.430 1.033 61 1HG LYS 9 1HG LYS 9 -7.823 10.601 3.579 62 2HG LYS 9 2HG LYS 9 -6.566 11.345 2.590 63 1HD LYS 9 1HD LYS 9 -9.340 10.659 1.618 64 2HD LYS 9 2HD LYS 9 -8.832 12.260 2.158 65 1HE LYS 9 1HE LYS 9 -7.108 12.274 0.393 66 2HE LYS 9 2HE LYS 9 -7.698 10.710 -0.169 67 1HZ LYS 9 1HZ LYS 9 -9.238 13.248 -0.118 68 2HZ LYS 9 2HZ LYS 9 -9.856 11.749 -0.598 69 3HZ LYS 9 3HZ LYS 9 -8.621 12.479 -1.493 70 H TYR 10 H TYR 10 -6.208 6.667 2.485 71 HA TYR 10 HA TYR 10 -5.952 5.490 -0.003 72 1HB TYR 10 1HB TYR 10 -5.251 4.595 2.766 73 2HB TYR 10 2HB TYR 10 -5.067 3.468 1.427 74 HD1 TYR 10 1HD TYR 10 -3.796 4.544 -0.680 75 HD2 TYR 10 2HD TYR 10 -3.405 5.848 3.351 76 HE1 TYR 10 1HE TYR 10 -1.606 5.526 -1.216 77 HE2 TYR 10 2HE TYR 10 -1.217 6.836 2.826 78 HH TYR 10 HH TYR 10 -0.108 7.262 -0.362 79 H MET 11 H MET 11 -8.410 5.020 2.334 80 HA MET 11 HA MET 11 -9.243 2.440 1.314 81 1HB MET 11 1HB MET 11 -10.221 4.279 3.469 82 2HB MET 11 2HB MET 11 -11.240 2.963 2.905 83 1HG MET 11 1HG MET 11 -8.473 2.687 4.056 84 2HG MET 11 2HG MET 11 -9.983 2.335 4.890 85 1HE MET 11 1HE MET 11 -11.328 -0.738 2.867 86 2HE MET 11 2HE MET 11 -11.706 0.964 2.609 87 3HE MET 11 3HE MET 11 -11.601 0.322 4.248 88 H GLU 12 H GLU 12 -10.843 5.618 1.609 89 HA GLU 12 HA GLU 12 -12.987 4.984 -0.101 90 1HB GLU 12 1HB GLU 12 -13.121 6.798 1.510 91 2HB GLU 12 2HB GLU 12 -11.837 7.668 0.679 92 1HG GLU 12 1HG GLU 12 -13.247 7.986 -1.253 93 2HG GLU 12 2HG GLU 12 -14.519 7.007 -0.522 94 H TYR 13 H TYR 13 -9.775 6.135 -0.752 95 HA TYR 13 HA TYR 13 -10.170 7.251 -3.299 96 1HB TYR 13 1HB TYR 13 -8.082 7.269 -1.731 97 2HB TYR 13 2HB TYR 13 -7.650 5.789 -2.574 98 HD1 TYR 13 1HD TYR 13 -6.963 9.141 -2.496 99 HD2 TYR 13 2HD TYR 13 -8.057 6.122 -5.288 100 HE1 TYR 13 1HE TYR 13 -5.974 10.470 -4.313 101 HE2 TYR 13 2HE TYR 13 -7.071 7.441 -7.112 102 HH TYR 13 HH TYR 13 -5.037 10.084 -6.578 103 H LEU 14 H LEU 14 -9.295 3.957 -2.307 104 HA LEU 14 HA LEU 14 -10.017 3.041 -5.013 105 1HB LEU 14 1HB LEU 14 -7.947 1.813 -3.194 106 2HB LEU 14 2HB LEU 14 -8.338 1.303 -4.825 107 HG LEU 14 HG LEU 14 -7.161 3.992 -4.128 108 1HD1 LEU 14 1HD1 LEU 14 -5.068 3.108 -5.024 109 2HD1 LEU 14 2HD1 LEU 14 -5.816 1.524 -5.216 110 3HD1 LEU 14 3HD1 LEU 14 -5.593 2.202 -3.604 111 1HD2 LEU 14 1HD2 LEU 14 -8.458 3.980 -6.192 112 2HD2 LEU 14 2HD2 LEU 14 -7.539 2.590 -6.773 113 3HD2 LEU 14 3HD2 LEU 14 -6.736 4.141 -6.530 114 H MET 15 H MET 15 -11.784 3.276 -2.764 115 HA MET 15 HA MET 15 -12.150 0.944 -1.304 116 1HB MET 15 1HB MET 15 -13.346 3.238 -1.152 117 2HB MET 15 2HB MET 15 -14.480 2.545 -2.301 118 1HG MET 15 1HG MET 15 -13.800 1.266 0.330 119 2HG MET 15 2HG MET 15 -15.142 2.386 0.106 120 1HE MET 15 1HE MET 15 -17.494 0.462 -2.309 121 2HE MET 15 2HE MET 15 -16.257 1.637 -2.759 122 3HE MET 15 3HE MET 15 -17.256 1.910 -1.331 123 HA PRO 16 HA PRO 16 -15.016 -0.762 -4.779 124 1HB PRO 16 1HB PRO 16 -14.922 0.346 -7.232 125 2HB PRO 16 2HB PRO 16 -15.978 0.975 -5.961 126 1HG PRO 16 1HG PRO 16 -13.293 1.965 -6.852 127 2HG PRO 16 2HG PRO 16 -14.764 2.891 -6.499 128 1HD PRO 16 1HD PRO 16 -12.725 2.640 -4.728 129 2HD PRO 16 2HD PRO 16 -14.418 2.811 -4.225 130 H ASP 17 H ASP 17 -11.764 0.026 -4.966 131 HA ASP 17 HA ASP 17 -11.233 -2.078 -6.955 132 1HB ASP 17 1HB ASP 17 -9.453 0.195 -6.051 133 2HB ASP 17 2HB ASP 17 -9.010 -1.037 -7.229 134 H ILE 18 H ILE 18 -11.051 -1.299 -3.654 135 HA ILE 18 HA ILE 18 -8.857 -3.128 -3.100 136 HB ILE 18 HB ILE 18 -10.536 -1.358 -1.338 137 1HG1 ILE 18 1HG1 ILE 18 -7.548 -1.473 -1.785 138 2HG1 ILE 18 2HG1 ILE 18 -8.633 -0.405 -2.668 139 1HG2 ILE 18 1HG2 ILE 18 -9.152 -2.146 0.563 140 2HG2 ILE 18 2HG2 ILE 18 -8.505 -3.415 -0.476 141 3HG2 ILE 18 3HG2 ILE 18 -10.224 -3.388 -0.080 142 1HD1 ILE 18 1HD1 ILE 18 -7.521 0.771 -0.866 143 2HD1 ILE 18 2HD1 ILE 18 -8.158 -0.384 0.303 144 3HD1 ILE 18 3HD1 ILE 18 -9.258 0.683 -0.572 145 H MET 19 H MET 19 -12.361 -2.928 -2.574 146 HA MET 19 HA MET 19 -12.693 -5.217 -1.032 147 1HB MET 19 1HB MET 19 -14.589 -4.153 -3.132 148 2HB MET 19 2HB MET 19 -15.007 -5.274 -1.846 149 1HG MET 19 1HG MET 19 -14.303 -3.493 -0.218 150 2HG MET 19 2HG MET 19 -14.205 -2.394 -1.591 151 1HE MET 19 1HE MET 19 -16.304 -1.860 -3.181 152 2HE MET 19 2HE MET 19 -17.934 -2.459 -2.876 153 3HE MET 19 3HE MET 19 -16.662 -3.577 -3.369 154 HA PRO 20 HA PRO 20 -13.307 -7.629 -5.316 155 1HB PRO 20 1HB PRO 20 -11.197 -6.119 -6.786 156 2HB PRO 20 2HB PRO 20 -12.690 -6.844 -7.392 157 1HG PRO 20 1HG PRO 20 -12.511 -4.214 -7.063 158 2HG PRO 20 2HG PRO 20 -14.003 -5.079 -6.647 159 1HD PRO 20 1HD PRO 20 -11.871 -4.002 -4.853 160 2HD PRO 20 2HD PRO 20 -13.629 -4.051 -4.615 161 H CYS 21 H CYS 21 -10.134 -6.189 -4.560 162 HA CYS 21 HA CYS 21 -8.566 -8.413 -5.169 163 1HB CYS 21 1HB CYS 21 -8.074 -6.250 -3.118 164 2HB CYS 21 2HB CYS 21 -6.860 -7.388 -3.690 165 H ALA 22 H ALA 22 -9.744 -7.410 -1.939 166 HA ALA 22 HA ALA 22 -8.763 -9.498 -0.436 167 1HB ALA 22 1HB ALA 22 -11.458 -8.178 -0.112 168 2HB ALA 22 2HB ALA 22 -9.928 -7.562 0.509 169 3HB ALA 22 3HB ALA 22 -10.584 -9.076 1.128 170 H ASP 23 H ASP 23 -11.726 -9.442 -2.379 171 HA ASP 23 HA ASP 23 -12.390 -12.164 -1.650 172 1HB ASP 23 1HB ASP 23 -13.632 -10.267 -3.657 173 2HB ASP 23 2HB ASP 23 -14.264 -11.863 -3.267 174 H GLU 24 H GLU 24 -10.463 -10.594 -3.947 175 HA GLU 24 HA GLU 24 -10.677 -12.268 -6.174 176 1HB GLU 24 1HB GLU 24 -9.466 -10.053 -6.029 177 2HB GLU 24 2HB GLU 24 -8.143 -10.913 -5.264 178 1HG GLU 24 1HG GLU 24 -7.720 -10.582 -7.626 179 2HG GLU 24 2HG GLU 24 -7.871 -12.296 -7.245 180 H LEU 25 H LEU 25 -8.265 -12.413 -3.506 181 HA LEU 25 HA LEU 25 -7.507 -15.074 -4.477 182 1HB LEU 25 1HB LEU 25 -6.357 -13.481 -2.184 183 2HB LEU 25 2HB LEU 25 -5.659 -14.912 -2.921 184 HG LEU 25 HG LEU 25 -6.021 -12.271 -4.344 185 1HD1 LEU 25 1HD1 LEU 25 -3.589 -13.507 -3.067 186 2HD1 LEU 25 2HD1 LEU 25 -4.377 -11.995 -2.622 187 3HD1 LEU 25 3HD1 LEU 25 -3.548 -12.132 -4.171 188 1HD2 LEU 25 1HD2 LEU 25 -4.556 -14.780 -5.136 189 2HD2 LEU 25 2HD2 LEU 25 -4.556 -13.262 -6.032 190 3HD2 LEU 25 3HD2 LEU 25 -6.051 -14.178 -5.850 191 H HIS 26 H HIS 26 -8.741 -13.524 -1.509 192 HA HIS 26 HA HIS 26 -10.366 -15.649 -0.781 193 1HB HIS 26 1HB HIS 26 -7.990 -16.689 -0.514 194 2HB HIS 26 2HB HIS 26 -7.933 -15.745 0.969 195 HD1 HIS 26 1HD HIS 26 -8.354 -17.327 2.825 196 HD2 HIS 26 2HD HIS 26 -10.877 -18.022 -0.404 197 HE1 HIS 26 1HE HIS 26 -9.905 -19.163 3.565 198 HE2 HIS 26 2HE HIS 26 -11.451 -19.537 1.611 199 H ILE 27 H ILE 27 -8.021 -13.670 1.008 200 HA ILE 27 HA ILE 27 -10.161 -12.192 2.341 201 HB ILE 27 HB ILE 27 -9.084 -12.765 4.577 202 1HG1 ILE 27 1HG1 ILE 27 -7.627 -14.578 2.693 203 2HG1 ILE 27 2HG1 ILE 27 -7.043 -13.725 4.121 204 1HG2 ILE 27 1HG2 ILE 27 -10.399 -14.773 4.854 205 2HG2 ILE 27 2HG2 ILE 27 -10.416 -15.047 3.111 206 3HG2 ILE 27 3HG2 ILE 27 -11.266 -13.661 3.796 207 1HD1 ILE 27 1HD1 ILE 27 -8.683 -16.246 4.090 208 2HD1 ILE 27 2HD1 ILE 27 -8.238 -15.356 5.545 209 3HD1 ILE 27 3HD1 ILE 27 -6.986 -16.081 4.536 210 H SER 28 H SER 28 -9.499 -10.232 3.200 211 HA SER 28 HA SER 28 -6.859 -9.284 2.458 212 1HB SER 28 1HB SER 28 -7.703 -7.086 3.246 213 2HB SER 28 2HB SER 28 -8.763 -7.816 2.044 214 HG SER 28 HG SER 28 -9.988 -8.620 3.911 215 H GLU 29 H GLU 29 -6.006 -7.596 4.293 216 HA GLU 29 HA GLU 29 -5.006 -9.260 6.351 217 1HB GLU 29 1HB GLU 29 -4.822 -6.510 7.142 218 2HB GLU 29 2HB GLU 29 -3.546 -7.592 6.610 219 1HG GLU 29 1HG GLU 29 -3.320 -5.989 5.038 220 2HG GLU 29 2HG GLU 29 -4.532 -6.982 4.237 221 H ASP 30 H ASP 30 -7.905 -7.535 5.983 222 HA ASP 30 HA ASP 30 -8.490 -7.046 8.738 223 1HB ASP 30 1HB ASP 30 -10.359 -7.264 6.364 224 2HB ASP 30 2HB ASP 30 -10.787 -6.623 7.947 225 H ILE 31 H ILE 31 -9.707 -9.446 6.401 226 HA ILE 31 HA ILE 31 -10.978 -11.008 8.446 227 HB ILE 31 HB ILE 31 -10.327 -11.893 5.631 228 1HG1 ILE 31 1HG1 ILE 31 -11.513 -9.751 5.536 229 2HG1 ILE 31 2HG1 ILE 31 -12.556 -11.061 4.994 230 1HG2 ILE 31 1HG2 ILE 31 -12.454 -12.755 7.585 231 2HG2 ILE 31 2HG2 ILE 31 -11.035 -13.683 7.098 232 3HG2 ILE 31 3HG2 ILE 31 -12.303 -13.329 5.925 233 1HD1 ILE 31 1HD1 ILE 31 -13.771 -9.496 6.385 234 2HD1 ILE 31 2HD1 ILE 31 -12.625 -9.752 7.702 235 3HD1 ILE 31 3HD1 ILE 31 -13.667 -11.071 7.170 236 H ALA 32 H ALA 32 -7.819 -10.737 7.206 237 HA ALA 32 HA ALA 32 -6.776 -13.293 7.399 238 1HB ALA 32 1HB ALA 32 -5.504 -11.379 6.560 239 2HB ALA 32 2HB ALA 32 -4.615 -12.232 7.821 240 3HB ALA 32 3HB ALA 32 -5.428 -10.710 8.189 241 H THR 33 H THR 33 -7.343 -10.887 9.907 242 HA THR 33 HA THR 33 -7.608 -12.894 11.936 243 HB THR 33 HB THR 33 -5.365 -10.899 12.289 244 HG1 THR 33 1HG THR 33 -4.459 -13.383 12.326 245 1HG2 THR 33 1HG2 THR 33 -4.840 -12.219 14.275 246 2HG2 THR 33 2HG2 THR 33 -6.204 -13.284 13.939 247 3HG2 THR 33 3HG2 THR 33 -6.488 -11.595 14.359 248 H ASN 34 H ASN 34 -9.301 -12.211 13.052 249 HA ASN 34 HA ASN 34 -10.481 -9.718 12.865 250 1HB ASN 34 1HB ASN 34 -11.664 -10.430 15.045 251 2HB ASN 34 2HB ASN 34 -11.877 -11.423 13.607 252 1HD2 ASN 34 1HD2 ASN 34 -8.947 -11.386 15.519 253 2HD2 ASN 34 2HD2 ASN 34 -9.109 -12.988 16.142 254 H ILE 35 H ILE 35 -7.642 -10.413 14.552 255 HA ILE 35 HA ILE 35 -7.960 -7.919 16.083 256 HB ILE 35 HB ILE 35 -6.335 -8.956 17.766 257 1HG1 ILE 35 1HG1 ILE 35 -6.946 -11.550 17.848 258 2HG1 ILE 35 2HG1 ILE 35 -7.054 -11.325 16.106 259 1HG2 ILE 35 1HG2 ILE 35 -8.173 -9.982 19.022 260 2HG2 ILE 35 2HG2 ILE 35 -9.155 -9.998 17.558 261 3HG2 ILE 35 3HG2 ILE 35 -8.656 -8.462 18.268 262 1HD1 ILE 35 1HD1 ILE 35 -4.766 -10.518 16.053 263 2HD1 ILE 35 2HD1 ILE 35 -4.857 -12.116 16.793 264 3HD1 ILE 35 3HD1 ILE 35 -4.656 -10.686 17.806 265 H GLN 36 H GLN 36 -6.915 -8.000 13.534 266 HA GLN 36 HA GLN 36 -4.233 -6.998 14.014 267 1HB GLN 36 1HB GLN 36 -4.819 -9.202 12.029 268 2HB GLN 36 2HB GLN 36 -3.340 -8.254 12.037 269 1HG GLN 36 1HG GLN 36 -4.304 -10.021 14.274 270 2HG GLN 36 2HG GLN 36 -3.039 -10.419 13.111 271 1HE2 GLN 36 1HE2 GLN 36 -2.889 -10.253 16.003 272 2HE2 GLN 36 2HE2 GLN 36 -1.675 -9.076 16.362 273 H ALA 37 H ALA 37 -3.975 -5.152 12.947 274 HA ALA 37 HA ALA 37 -6.060 -4.205 11.217 275 1HB ALA 37 1HB ALA 37 -4.979 -2.775 12.891 276 2HB ALA 37 2HB ALA 37 -4.886 -2.099 11.264 277 3HB ALA 37 3HB ALA 37 -3.471 -2.873 11.981 278 H ALA 38 H ALA 38 -2.526 -4.561 10.763 279 HA ALA 38 HA ALA 38 -2.995 -5.262 7.967 280 1HB ALA 38 1HB ALA 38 -2.751 -2.760 8.134 281 2HB ALA 38 2HB ALA 38 -1.598 -3.567 7.070 282 3HB ALA 38 3HB ALA 38 -1.095 -3.044 8.677 283 H LYS 39 H LYS 39 -0.053 -4.555 7.547 284 HA LYS 39 HA LYS 39 1.025 -7.099 7.975 285 1HB LYS 39 1HB LYS 39 2.416 -4.455 7.515 286 2HB LYS 39 2HB LYS 39 3.226 -6.016 7.479 287 1HG LYS 39 1HG LYS 39 2.827 -5.576 5.242 288 2HG LYS 39 2HG LYS 39 1.490 -6.636 5.683 289 1HD LYS 39 1HD LYS 39 0.139 -4.534 6.100 290 2HD LYS 39 2HD LYS 39 1.450 -3.648 5.322 291 1HE LYS 39 1HE LYS 39 1.163 -5.108 3.334 292 2HE LYS 39 2HE LYS 39 -0.245 -5.822 4.114 293 1HZ LYS 39 1HZ LYS 39 0.071 -2.962 3.380 294 2HZ LYS 39 2HZ LYS 39 -1.274 -3.628 4.160 295 3HZ LYS 39 3HZ LYS 39 -0.899 -4.092 2.577 296 H ASN 40 H ASN 40 0.171 -4.950 10.225 297 HA ASN 40 HA ASN 40 2.356 -5.156 12.057 298 1HB ASN 40 1HB ASN 40 0.534 -3.305 11.909 299 2HB ASN 40 2HB ASN 40 -0.460 -4.430 12.833 300 1HD2 ASN 40 1HD2 ASN 40 3.002 -4.134 13.140 301 2HD2 ASN 40 2HD2 ASN 40 3.003 -3.473 14.737 302 H GLY 41 H GLY 41 1.330 -7.645 11.002 303 1HA GLY 41 1HA GLY 41 1.595 -9.670 12.370 304 2HA GLY 41 2HA GLY 41 0.528 -8.921 13.542 305 H ALA 42 H ALA 42 -0.648 -8.240 10.489 306 HA ALA 42 HA ALA 42 -2.735 -10.253 10.760 307 1HB ALA 42 1HB ALA 42 -2.467 -8.109 8.654 308 2HB ALA 42 2HB ALA 42 -3.302 -7.903 10.194 309 3HB ALA 42 3HB ALA 42 -3.899 -9.072 9.014 310 H ASP 43 H ASP 43 0.000 -11.021 10.083 311 HA ASP 43 HA ASP 43 1.061 -12.538 8.799 312 1HB ASP 43 1HB ASP 43 -1.630 -12.957 7.550 313 2HB ASP 43 2HB ASP 43 -0.246 -14.014 7.359 314 H MET 44 H MET 44 2.087 -10.535 7.981 315 HA MET 44 HA MET 44 1.488 -9.157 5.676 316 1HB MET 44 1HB MET 44 3.791 -8.574 5.553 317 2HB MET 44 2HB MET 44 3.414 -8.764 7.261 318 1HG MET 44 1HG MET 44 4.316 -11.120 7.055 319 2HG MET 44 2HG MET 44 4.934 -10.638 5.472 320 1HE MET 44 1HE MET 44 5.116 -10.032 9.360 321 2HE MET 44 2HE MET 44 4.643 -8.452 8.734 322 3HE MET 44 3HE MET 44 6.240 -8.676 9.449 323 H SER 45 H SER 45 2.455 -12.431 6.034 324 HA SER 45 HA SER 45 3.693 -13.037 3.644 325 1HB SER 45 1HB SER 45 2.896 -15.338 3.995 326 2HB SER 45 2HB SER 45 3.476 -14.624 5.501 327 HG SER 45 HG SER 45 1.420 -14.421 6.211 328 H GLN 46 H GLN 46 0.173 -13.038 4.321 329 HA GLN 46 HA GLN 46 -0.353 -13.588 1.517 330 1HB GLN 46 1HB GLN 46 -1.660 -14.630 3.418 331 2HB GLN 46 2HB GLN 46 -2.379 -13.049 3.684 332 1HG GLN 46 1HG GLN 46 -3.810 -14.525 2.350 333 2HG GLN 46 2HG GLN 46 -3.343 -13.067 1.477 334 1HE2 GLN 46 1HE2 GLN 46 -1.952 -13.220 -0.275 335 2HE2 GLN 46 2HE2 GLN 46 -1.585 -14.727 -1.038 336 H LEU 47 H LEU 47 -0.066 -10.883 3.588 337 HA LEU 47 HA LEU 47 -1.815 -9.127 2.216 338 1HB LEU 47 1HB LEU 47 0.610 -8.279 3.777 339 2HB LEU 47 2HB LEU 47 -0.876 -7.385 3.515 340 HG LEU 47 HG LEU 47 -0.422 -9.734 5.333 341 1HD1 LEU 47 1HD1 LEU 47 0.130 -7.639 6.322 342 2HD1 LEU 47 2HD1 LEU 47 -1.416 -8.162 6.989 343 3HD1 LEU 47 3HD1 LEU 47 -1.369 -6.911 5.747 344 1HD2 LEU 47 1HD2 LEU 47 -2.840 -9.662 5.830 345 2HD2 LEU 47 2HD2 LEU 47 -2.494 -10.195 4.185 346 3HD2 LEU 47 3HD2 LEU 47 -3.058 -8.550 4.478 347 H GLY 48 H GLY 48 1.472 -10.148 1.696 348 1HA GLY 48 1HA GLY 48 2.201 -8.039 -0.071 349 2HA GLY 48 2HA GLY 48 3.017 -9.586 0.085 350 H CYS 49 H CYS 49 -0.274 -9.959 -0.500 351 HA CYS 49 HA CYS 49 0.093 -10.081 -3.408 352 1HB CYS 49 1HB CYS 49 -0.725 -12.254 -1.553 353 2HB CYS 49 2HB CYS 49 -1.487 -12.175 -3.134 354 H LEU 50 H LEU 50 -2.400 -10.720 -0.947 355 HA LEU 50 HA LEU 50 -4.616 -9.992 -2.406 356 1HB LEU 50 1HB LEU 50 -3.950 -10.319 0.401 357 2HB LEU 50 2HB LEU 50 -5.130 -9.047 0.173 358 HG LEU 50 HG LEU 50 -6.496 -10.845 0.512 359 1HD1 LEU 50 1HD1 LEU 50 -6.054 -11.132 -2.446 360 2HD1 LEU 50 2HD1 LEU 50 -6.992 -9.841 -1.696 361 3HD1 LEU 50 3HD1 LEU 50 -7.514 -11.519 -1.534 362 1HD2 LEU 50 1HD2 LEU 50 -4.418 -12.503 -0.882 363 2HD2 LEU 50 2HD2 LEU 50 -6.007 -13.125 -0.440 364 3HD2 LEU 50 3HD2 LEU 50 -4.905 -12.554 0.811 365 H LYS 51 H LYS 51 -2.549 -7.965 -0.379 366 HA LYS 51 HA LYS 51 -3.930 -5.562 -1.164 367 1HB LYS 51 1HB LYS 51 -1.679 -6.233 0.668 368 2HB LYS 51 2HB LYS 51 -1.748 -4.594 0.033 369 1HG LYS 51 1HG LYS 51 -2.838 -4.871 2.242 370 2HG LYS 51 2HG LYS 51 -3.908 -4.240 0.991 371 1HD LYS 51 1HD LYS 51 -5.020 -5.938 2.370 372 2HD LYS 51 2HD LYS 51 -4.885 -6.451 0.689 373 1HE LYS 51 1HE LYS 51 -3.029 -7.880 1.216 374 2HE LYS 51 2HE LYS 51 -2.973 -7.265 2.866 375 1HZ LYS 51 1HZ LYS 51 -4.069 -9.453 2.649 376 2HZ LYS 51 2HZ LYS 51 -5.284 -8.730 1.720 377 3HZ LYS 51 3HZ LYS 51 -5.067 -8.271 3.331 378 H ALA 52 H ALA 52 -1.326 -7.500 -2.310 379 HA ALA 52 HA ALA 52 0.089 -5.439 -3.690 380 1HB ALA 52 1HB ALA 52 1.067 -7.659 -3.161 381 2HB ALA 52 2HB ALA 52 1.210 -7.230 -4.867 382 3HB ALA 52 3HB ALA 52 -0.016 -8.386 -4.348 383 H CYS 53 H CYS 53 -2.854 -7.046 -4.134 384 HA CYS 53 HA CYS 53 -3.130 -6.928 -6.950 385 1HB CYS 53 1HB CYS 53 -4.613 -8.394 -5.878 386 2HB CYS 53 2HB CYS 53 -5.030 -7.215 -4.643 387 H VAL 54 H VAL 54 -4.170 -4.783 -4.322 388 HA VAL 54 HA VAL 54 -5.511 -2.895 -5.914 389 HB VAL 54 HB VAL 54 -4.080 -2.380 -3.303 390 1HG1 VAL 54 1HG1 VAL 54 -6.365 -0.941 -4.645 391 2HG1 VAL 54 2HG1 VAL 54 -4.721 -0.337 -4.439 392 3HG1 VAL 54 3HG1 VAL 54 -5.748 -0.594 -3.030 393 1HG2 VAL 54 1HG2 VAL 54 -6.908 -3.311 -3.793 394 2HG2 VAL 54 2HG2 VAL 54 -6.223 -2.871 -2.227 395 3HG2 VAL 54 3HG2 VAL 54 -5.602 -4.273 -3.098 396 H MET 55 H MET 55 -2.151 -3.448 -5.310 397 HA MET 55 HA MET 55 -1.153 -0.890 -5.959 398 1HB MET 55 1HB MET 55 0.212 -3.563 -6.324 399 2HB MET 55 2HB MET 55 0.999 -1.994 -6.229 400 1HG MET 55 1HG MET 55 -0.147 -1.847 -3.908 401 2HG MET 55 2HG MET 55 -0.298 -3.594 -4.069 402 1HE MET 55 1HE MET 55 1.815 -5.194 -4.503 403 2HE MET 55 2HE MET 55 3.490 -4.644 -4.435 404 3HE MET 55 3HE MET 55 2.456 -4.161 -5.780 405 H LYS 56 H LYS 56 -1.655 -3.808 -7.919 406 HA LYS 56 HA LYS 56 -0.711 -2.681 -10.342 407 1HB LYS 56 1HB LYS 56 -2.585 -5.007 -9.870 408 2HB LYS 56 2HB LYS 56 -1.864 -4.602 -11.422 409 1HG LYS 56 1HG LYS 56 0.361 -4.979 -10.468 410 2HG LYS 56 2HG LYS 56 -0.376 -5.410 -8.929 411 1HD LYS 56 1HD LYS 56 -0.984 -6.823 -11.513 412 2HD LYS 56 2HD LYS 56 0.308 -7.325 -10.421 413 1HE LYS 56 1HE LYS 56 -2.629 -7.148 -9.777 414 2HE LYS 56 2HE LYS 56 -1.679 -8.612 -10.006 415 1HZ LYS 56 1HZ LYS 56 -1.266 -6.620 -7.850 416 2HZ LYS 56 2HZ LYS 56 -0.367 -8.036 -8.068 417 3HZ LYS 56 3HZ LYS 56 -2.007 -8.129 -7.663 418 H ARG 57 H ARG 57 -3.739 -2.533 -8.673 419 HA ARG 57 HA ARG 57 -5.453 -1.907 -10.808 420 1HB ARG 57 1HB ARG 57 -5.585 -1.081 -7.901 421 2HB ARG 57 2HB ARG 57 -6.895 -0.871 -9.055 422 1HG ARG 57 1HG ARG 57 -5.746 -3.588 -8.694 423 2HG ARG 57 2HG ARG 57 -6.805 -2.940 -7.441 424 1HD ARG 57 1HD ARG 57 -7.938 -4.315 -9.221 425 2HD ARG 57 2HD ARG 57 -8.609 -2.707 -8.962 426 HE ARG 57 HE ARG 57 -7.087 -2.127 -10.970 427 1HH1 ARG 57 1HH1 ARG 57 -8.794 -5.129 -10.508 428 2HH1 ARG 57 2HH1 ARG 57 -8.973 -5.436 -12.203 429 1HH2 ARG 57 1HH2 ARG 57 -7.321 -2.524 -13.204 430 2HH2 ARG 57 2HH2 ARG 57 -8.136 -3.957 -13.734 431 H ILE 58 H ILE 58 -3.343 0.112 -8.832 432 HA ILE 58 HA ILE 58 -4.191 2.489 -10.321 433 HB ILE 58 HB ILE 58 -2.785 3.740 -8.685 434 1HG1 ILE 58 1HG1 ILE 58 -2.616 1.080 -7.252 435 2HG1 ILE 58 2HG1 ILE 58 -1.283 1.810 -8.143 436 1HG2 ILE 58 1HG2 ILE 58 -5.185 3.492 -8.371 437 2HG2 ILE 58 2HG2 ILE 58 -4.348 3.490 -6.819 438 3HG2 ILE 58 3HG2 ILE 58 -4.928 1.974 -7.511 439 1HD1 ILE 58 1HD1 ILE 58 -2.646 2.992 -5.733 440 2HD1 ILE 58 2HD1 ILE 58 -1.299 3.708 -6.617 441 3HD1 ILE 58 3HD1 ILE 58 -1.077 2.188 -5.751 442 H GLU 59 H GLU 59 -2.351 0.198 -11.207 443 HA GLU 59 HA GLU 59 -0.505 -0.071 -12.498 444 1HB GLU 59 1HB GLU 59 -0.989 2.877 -12.901 445 2HB GLU 59 2HB GLU 59 0.262 1.991 -13.763 446 1HG GLU 59 1HG GLU 59 -1.473 0.491 -14.668 447 2HG GLU 59 2HG GLU 59 -2.700 1.468 -13.866 448 H MET 60 H MET 60 0.297 -0.310 -10.088 449 HA MET 60 HA MET 60 2.687 1.397 -9.840 450 1HB MET 60 1HB MET 60 0.804 1.629 -8.054 451 2HB MET 60 2HB MET 60 1.401 0.083 -7.464 452 1HG MET 60 1HG MET 60 3.713 1.281 -7.500 453 2HG MET 60 2HG MET 60 2.735 2.748 -7.484 454 1HE MET 60 1HE MET 60 3.023 -0.392 -4.140 455 2HE MET 60 2HE MET 60 4.142 -0.228 -5.492 456 3HE MET 60 3HE MET 60 2.501 -0.811 -5.771 457 H LEU 61 H LEU 61 1.729 -1.500 -10.774 458 HA LEU 61 HA LEU 61 4.251 -2.753 -10.114 459 1HB LEU 61 1HB LEU 61 2.873 -3.426 -8.228 460 2HB LEU 61 2HB LEU 61 1.609 -3.973 -9.312 461 HG LEU 61 HG LEU 61 3.151 -5.721 -10.171 462 1HD1 LEU 61 1HD1 LEU 61 4.947 -4.736 -7.960 463 2HD1 LEU 61 2HD1 LEU 61 5.272 -4.651 -9.692 464 3HD1 LEU 61 3HD1 LEU 61 5.185 -6.218 -8.887 465 1HD2 LEU 61 1HD2 LEU 61 1.531 -6.196 -8.392 466 2HD2 LEU 61 2HD2 LEU 61 2.741 -5.761 -7.186 467 3HD2 LEU 61 3HD2 LEU 61 2.997 -7.163 -8.226 468 H LYS 62 H LYS 62 4.816 -2.916 -12.227 469 HA LYS 62 HA LYS 62 2.921 -4.071 -14.125 470 1HB LYS 62 1HB LYS 62 5.469 -2.536 -14.380 471 2HB LYS 62 2HB LYS 62 4.959 -3.568 -15.707 472 1HG LYS 62 1HG LYS 62 3.850 -1.766 -16.414 473 2HG LYS 62 2HG LYS 62 2.669 -2.198 -15.176 474 1HD LYS 62 1HD LYS 62 5.019 -0.488 -14.486 475 2HD LYS 62 2HD LYS 62 3.610 0.224 -15.273 476 1HE LYS 62 1HE LYS 62 2.200 -0.700 -13.452 477 2HE LYS 62 2HE LYS 62 3.666 -1.266 -12.654 478 1HZ LYS 62 1HZ LYS 62 4.432 1.052 -12.576 479 2HZ LYS 62 2HZ LYS 62 2.991 0.823 -11.719 480 3HZ LYS 62 3HZ LYS 62 2.959 1.556 -13.242 481 H GLY 63 H GLY 63 2.889 -6.259 -13.721 482 1HA GLY 63 1HA GLY 63 3.651 -8.430 -13.605 483 2HA GLY 63 2HA GLY 63 4.699 -7.929 -14.923 484 H THR 64 H THR 64 4.531 -7.414 -11.413 485 HA THR 64 HA THR 64 5.992 -7.810 -9.731 486 HB THR 64 HB THR 64 7.760 -9.347 -9.879 487 HG1 THR 64 1HG THR 64 8.312 -8.219 -12.159 488 1HG2 THR 64 1HG2 THR 64 5.738 -10.176 -11.963 489 2HG2 THR 64 2HG2 THR 64 5.569 -10.379 -10.219 490 3HG2 THR 64 3HG2 THR 64 6.826 -11.256 -11.091 491 H GLU 65 H GLU 65 6.082 -5.463 -11.529 492 HA GLU 65 HA GLU 65 8.856 -4.621 -11.013 493 1HB GLU 65 1HB GLU 65 6.859 -3.723 -13.069 494 2HB GLU 65 2HB GLU 65 8.311 -2.817 -12.709 495 1HG GLU 65 1HG GLU 65 9.685 -4.725 -13.351 496 2HG GLU 65 2HG GLU 65 8.227 -5.653 -13.702 497 H LEU 66 H LEU 66 9.005 -3.440 -9.241 498 HA LEU 66 HA LEU 66 6.797 -2.125 -8.025 499 1HB LEU 66 1HB LEU 66 9.758 -1.947 -7.483 500 2HB LEU 66 2HB LEU 66 8.532 -1.182 -6.489 501 HG LEU 66 HG LEU 66 8.820 -4.156 -6.932 502 1HD1 LEU 66 1HD1 LEU 66 10.612 -3.200 -5.566 503 2HD1 LEU 66 2HD1 LEU 66 9.538 -4.223 -4.613 504 3HD1 LEU 66 3HD1 LEU 66 9.408 -2.467 -4.505 505 1HD2 LEU 66 1HD2 LEU 66 6.505 -3.565 -6.587 506 2HD2 LEU 66 2HD2 LEU 66 6.933 -2.567 -5.197 507 3HD2 LEU 66 3HD2 LEU 66 7.141 -4.316 -5.125 508 H TYR 67 H TYR 67 6.200 -0.025 -7.971 509 HA TYR 67 HA TYR 67 7.843 2.005 -9.266 510 1HB TYR 67 1HB TYR 67 5.151 1.109 -10.235 511 2HB TYR 67 2HB TYR 67 5.630 2.793 -10.424 512 HD1 TYR 67 1HD TYR 67 6.189 -0.637 -11.541 513 HD2 TYR 67 2HD TYR 67 7.490 3.399 -11.896 514 HE1 TYR 67 1HE TYR 67 7.429 -1.221 -13.584 515 HE2 TYR 67 2HE TYR 67 8.730 2.826 -13.940 516 HH TYR 67 HH TYR 67 9.742 0.795 -14.971 517 H VAL 68 H VAL 68 6.778 4.233 -8.983 518 HA VAL 68 HA VAL 68 5.026 4.401 -6.669 519 HB VAL 68 HB VAL 68 6.628 6.156 -5.705 520 1HG1 VAL 68 1HG1 VAL 68 7.838 4.458 -4.418 521 2HG1 VAL 68 2HG1 VAL 68 7.352 3.236 -5.592 522 3HG1 VAL 68 3HG1 VAL 68 6.133 4.044 -4.606 523 1HG2 VAL 68 1HG2 VAL 68 9.006 5.756 -6.154 524 2HG2 VAL 68 2HG2 VAL 68 8.146 6.299 -7.594 525 3HG2 VAL 68 3HG2 VAL 68 8.561 4.596 -7.406 526 H GLU 69 H GLU 69 4.975 5.144 -9.578 527 HA GLU 69 HA GLU 69 5.092 8.003 -9.669 528 1HB GLU 69 1HB GLU 69 3.909 6.005 -11.603 529 2HB GLU 69 2HB GLU 69 4.024 7.733 -11.910 530 1HG GLU 69 1HG GLU 69 6.475 7.578 -11.681 531 2HG GLU 69 2HG GLU 69 6.317 5.834 -11.481 532 HA PRO 70 HA PRO 70 0.252 7.638 -9.644 533 1HB PRO 70 1HB PRO 70 -0.770 5.386 -8.475 534 2HB PRO 70 2HB PRO 70 -0.539 5.575 -10.216 535 1HG PRO 70 1HG PRO 70 1.177 4.163 -8.218 536 2HG PRO 70 2HG PRO 70 0.744 3.680 -9.867 537 1HD PRO 70 1HD PRO 70 3.139 4.765 -9.254 538 2HD PRO 70 2HD PRO 70 2.345 5.031 -10.820 539 H VAL 71 H VAL 71 1.814 5.845 -6.978 540 HA VAL 71 HA VAL 71 0.183 6.772 -4.910 541 HB VAL 71 HB VAL 71 2.139 6.310 -3.400 542 1HG1 VAL 71 1HG1 VAL 71 0.483 4.603 -3.941 543 2HG1 VAL 71 2HG1 VAL 71 2.089 3.896 -3.773 544 3HG1 VAL 71 3HG1 VAL 71 1.404 4.155 -5.376 545 1HG2 VAL 71 1HG2 VAL 71 3.994 6.827 -4.794 546 2HG2 VAL 71 2HG2 VAL 71 3.463 5.690 -6.033 547 3HG2 VAL 71 3HG2 VAL 71 4.053 5.094 -4.482 548 H TYR 72 H TYR 72 3.199 8.184 -6.177 549 HA TYR 72 HA TYR 72 3.488 10.239 -4.338 550 1HB TYR 72 1HB TYR 72 4.204 10.025 -7.247 551 2HB TYR 72 2HB TYR 72 4.509 11.508 -6.358 552 HD1 TYR 72 1HD TYR 72 6.941 11.055 -7.042 553 HD2 TYR 72 2HD TYR 72 4.774 8.540 -4.378 554 HE1 TYR 72 1HE TYR 72 9.056 10.114 -6.218 555 HE2 TYR 72 2HE TYR 72 6.883 7.594 -3.547 556 HH TYR 72 HH TYR 72 9.902 8.979 -4.195 557 H LYS 73 H LYS 73 1.124 9.821 -6.798 558 HA LYS 73 HA LYS 73 0.307 12.601 -6.827 559 1HB LYS 73 1HB LYS 73 0.163 10.747 -8.729 560 2HB LYS 73 2HB LYS 73 -1.391 10.427 -7.972 561 1HG LYS 73 1HG LYS 73 -0.561 13.163 -8.894 562 2HG LYS 73 2HG LYS 73 -1.404 12.011 -9.930 563 1HD LYS 73 1HD LYS 73 -3.275 11.950 -8.383 564 2HD LYS 73 2HD LYS 73 -2.423 13.031 -7.280 565 1HE LYS 73 1HE LYS 73 -4.106 14.209 -8.631 566 2HE LYS 73 2HE LYS 73 -2.474 14.806 -8.923 567 1HZ LYS 73 1HZ LYS 73 -3.677 14.545 -10.988 568 2HZ LYS 73 2HZ LYS 73 -3.966 12.912 -10.657 569 3HZ LYS 73 3HZ LYS 73 -2.388 13.451 -10.931 570 H MET 74 H MET 74 -0.740 9.547 -5.415 571 HA MET 74 HA MET 74 -3.234 10.462 -4.432 572 1HB MET 74 1HB MET 74 -1.660 8.277 -3.109 573 2HB MET 74 2HB MET 74 -3.397 8.397 -3.353 574 1HG MET 74 1HG MET 74 -3.018 8.078 -5.780 575 2HG MET 74 2HG MET 74 -1.315 7.808 -5.437 576 1HE MET 74 1HE MET 74 -4.698 5.055 -3.929 577 2HE MET 74 2HE MET 74 -4.973 6.439 -4.985 578 3HE MET 74 3HE MET 74 -4.435 6.690 -3.325 579 H ILE 75 H ILE 75 -0.045 10.055 -2.954 580 HA ILE 75 HA ILE 75 -0.543 10.766 -0.358 581 HB ILE 75 HB ILE 75 1.866 11.610 -1.976 582 1HG1 ILE 75 1HG1 ILE 75 1.556 9.141 -0.266 583 2HG1 ILE 75 2HG1 ILE 75 1.260 9.141 -2.001 584 1HG2 ILE 75 1HG2 ILE 75 3.045 11.637 0.159 585 2HG2 ILE 75 2HG2 ILE 75 1.550 11.225 0.998 586 3HG2 ILE 75 3HG2 ILE 75 1.695 12.772 0.166 587 1HD1 ILE 75 1HD1 ILE 75 3.859 9.800 -0.636 588 2HD1 ILE 75 2HD1 ILE 75 3.574 9.860 -2.375 589 3HD1 ILE 75 3HD1 ILE 75 3.478 8.321 -1.519 590 H GLU 76 H GLU 76 -0.627 12.794 -3.162 591 HA GLU 76 HA GLU 76 -0.206 15.302 -1.968 592 1HB GLU 76 1HB GLU 76 -1.930 14.592 -4.347 593 2HB GLU 76 2HB GLU 76 -1.439 16.223 -3.912 594 1HG GLU 76 1HG GLU 76 0.924 15.529 -4.181 595 2HG GLU 76 2HG GLU 76 0.357 13.961 -4.752 596 H VAL 77 H VAL 77 -3.343 13.792 -2.807 597 HA VAL 77 HA VAL 77 -4.745 15.667 -1.094 598 HB VAL 77 HB VAL 77 -5.886 13.288 -2.566 599 1HG1 VAL 77 1HG1 VAL 77 -7.330 14.174 -0.817 600 2HG1 VAL 77 2HG1 VAL 77 -7.994 14.527 -2.412 601 3HG1 VAL 77 3HG1 VAL 77 -7.179 15.795 -1.496 602 1HG2 VAL 77 1HG2 VAL 77 -4.736 14.756 -4.136 603 2HG2 VAL 77 2HG2 VAL 77 -5.621 16.144 -3.501 604 3HG2 VAL 77 3HG2 VAL 77 -6.485 14.858 -4.345 605 H VAL 78 H VAL 78 -3.853 12.293 -1.138 606 HA VAL 78 HA VAL 78 -5.339 11.367 1.038 607 HB VAL 78 HB VAL 78 -2.704 10.427 -0.117 608 1HG1 VAL 78 1HG1 VAL 78 -2.738 9.609 2.131 609 2HG1 VAL 78 2HG1 VAL 78 -3.209 8.278 1.075 610 3HG1 VAL 78 3HG1 VAL 78 -4.433 9.146 1.997 611 1HG2 VAL 78 1HG2 VAL 78 -4.597 10.272 -1.624 612 2HG2 VAL 78 2HG2 VAL 78 -5.527 9.406 -0.400 613 3HG2 VAL 78 3HG2 VAL 78 -4.091 8.665 -1.105 614 H HIS 79 H HIS 79 -2.952 13.681 1.022 615 HA HIS 79 HA HIS 79 -2.631 13.502 3.909 616 1HB HIS 79 1HB HIS 79 -0.341 13.574 1.951 617 2HB HIS 79 2HB HIS 79 -0.165 14.081 3.623 618 HD1 HIS 79 1HD HIS 79 -0.054 12.264 5.405 619 HD2 HIS 79 2HD HIS 79 -0.726 10.791 1.579 620 HE1 HIS 79 1HE HIS 79 0.267 9.776 5.577 621 HE2 HIS 79 2HE HIS 79 -0.252 8.896 3.276 622 H ALA 80 H ALA 80 -4.270 15.231 2.539 623 HA ALA 80 HA ALA 80 -3.081 17.703 1.873 624 1HB ALA 80 1HB ALA 80 -5.896 17.163 2.810 625 2HB ALA 80 2HB ALA 80 -5.327 17.070 1.143 626 3HB ALA 80 3HB ALA 80 -5.332 18.617 1.986 627 H GLY 81 H GLY 81 -2.534 19.449 3.056 628 1HA GLY 81 1HA GLY 81 -3.319 20.622 5.247 629 2HA GLY 81 2HA GLY 81 -2.660 19.163 5.974 630 H ASN 82 H ASN 82 -0.356 18.660 4.960 631 HA ASN 82 HA ASN 82 1.193 21.164 5.117 632 1HB ASN 82 1HB ASN 82 1.918 18.406 6.118 633 2HB ASN 82 2HB ASN 82 3.020 19.777 6.102 634 1HD2 ASN 82 1HD2 ASN 82 2.688 21.475 7.530 635 2HD2 ASN 82 2HD2 ASN 82 1.664 21.325 8.912 636 H ALA 83 H ALA 83 3.059 21.339 3.822 637 HA ALA 83 HA ALA 83 2.843 19.955 1.299 638 1HB ALA 83 1HB ALA 83 4.590 21.477 0.544 639 2HB ALA 83 2HB ALA 83 4.823 22.045 2.197 640 3HB ALA 83 3HB ALA 83 3.300 22.355 1.366 641 H ASP 84 H ASP 84 5.020 19.935 4.067 642 HA ASP 84 HA ASP 84 6.948 18.258 2.727 643 1HB ASP 84 1HB ASP 84 6.758 18.900 5.673 644 2HB ASP 84 2HB ASP 84 8.140 18.212 4.821 645 H ASP 85 H ASP 85 4.124 17.810 4.702 646 HA ASP 85 HA ASP 85 4.623 15.226 5.657 647 1HB ASP 85 1HB ASP 85 2.697 16.617 6.376 648 2HB ASP 85 2HB ASP 85 1.955 16.376 4.797 649 H ILE 86 H ILE 86 3.628 16.445 2.557 650 HA ILE 86 HA ILE 86 3.037 13.887 1.402 651 HB ILE 86 HB ILE 86 3.563 16.580 0.120 652 1HG1 ILE 86 1HG1 ILE 86 0.945 15.124 0.532 653 2HG1 ILE 86 2HG1 ILE 86 1.547 16.387 1.603 654 1HG2 ILE 86 1HG2 ILE 86 4.048 14.803 -1.454 655 2HG2 ILE 86 2HG2 ILE 86 2.542 15.603 -1.900 656 3HG2 ILE 86 3HG2 ILE 86 2.502 14.031 -1.101 657 1HD1 ILE 86 1HD1 ILE 86 -0.102 17.234 0.020 658 2HD1 ILE 86 2HD1 ILE 86 0.923 16.728 -1.322 659 3HD1 ILE 86 3HD1 ILE 86 1.473 17.988 -0.217 660 H GLN 87 H GLN 87 5.783 15.972 1.799 661 HA GLN 87 HA GLN 87 7.463 14.647 -0.100 662 1HB GLN 87 1HB GLN 87 8.440 16.649 0.118 663 2HB GLN 87 2HB GLN 87 7.582 16.977 1.614 664 1HG GLN 87 1HG GLN 87 9.865 17.109 2.124 665 2HG GLN 87 2HG GLN 87 9.312 15.570 2.779 666 1HE2 GLN 87 1HE2 GLN 87 9.860 16.103 -0.625 667 2HE2 GLN 87 2HE2 GLN 87 11.255 15.094 -0.761 668 H LEU 88 H LEU 88 6.580 14.202 3.192 669 HA LEU 88 HA LEU 88 8.863 12.655 3.954 670 1HB LEU 88 1HB LEU 88 7.420 13.916 5.553 671 2HB LEU 88 2HB LEU 88 6.136 12.763 5.244 672 HG LEU 88 HG LEU 88 7.589 10.958 6.131 673 1HD1 LEU 88 1HD1 LEU 88 9.427 13.242 6.834 674 2HD1 LEU 88 2HD1 LEU 88 9.758 11.945 5.687 675 3HD1 LEU 88 3HD1 LEU 88 9.592 11.582 7.404 676 1HD2 LEU 88 1HD2 LEU 88 5.950 12.032 7.570 677 2HD2 LEU 88 2HD2 LEU 88 7.117 13.285 7.990 678 3HD2 LEU 88 3HD2 LEU 88 7.400 11.616 8.484 679 H VAL 89 H VAL 89 5.489 11.883 3.115 680 HA VAL 89 HA VAL 89 5.724 9.092 3.326 681 HB VAL 89 HB VAL 89 3.871 10.620 1.493 682 1HG1 VAL 89 1HG1 VAL 89 3.670 7.846 2.663 683 2HG1 VAL 89 2HG1 VAL 89 3.979 8.247 0.973 684 3HG1 VAL 89 3HG1 VAL 89 2.425 8.647 1.705 685 1HG2 VAL 89 1HG2 VAL 89 2.259 10.546 3.311 686 2HG2 VAL 89 2HG2 VAL 89 3.718 11.397 3.816 687 3HG2 VAL 89 3HG2 VAL 89 3.436 9.737 4.345 688 H LYS 90 H LYS 90 6.446 11.316 0.705 689 HA LYS 90 HA LYS 90 6.708 9.467 -1.384 690 1HB LYS 90 1HB LYS 90 7.416 12.235 -0.894 691 2HB LYS 90 2HB LYS 90 8.657 11.420 -1.835 692 1HG LYS 90 1HG LYS 90 7.424 11.607 -3.660 693 2HG LYS 90 2HG LYS 90 6.115 10.714 -2.893 694 1HD LYS 90 1HD LYS 90 5.232 12.747 -1.937 695 2HD LYS 90 2HD LYS 90 6.582 13.664 -2.606 696 1HE LYS 90 1HE LYS 90 4.613 12.107 -4.261 697 2HE LYS 90 2HE LYS 90 4.463 13.825 -3.913 698 1HZ LYS 90 1HZ LYS 90 6.558 14.216 -5.023 699 2HZ LYS 90 2HZ LYS 90 5.499 13.412 -6.068 700 3HZ LYS 90 3HZ LYS 90 6.752 12.562 -5.318 701 H GLY 91 H GLY 91 8.895 10.445 1.176 702 1HA GLY 91 1HA GLY 91 11.142 8.984 0.121 703 2HA GLY 91 2HA GLY 91 11.038 9.746 1.704 704 H ILE 92 H ILE 92 8.428 8.296 2.131 705 HA ILE 92 HA ILE 92 9.437 6.104 3.579 706 HB ILE 92 HB ILE 92 6.631 6.744 2.714 707 1HG1 ILE 92 1HG1 ILE 92 8.070 7.076 5.300 708 2HG1 ILE 92 2HG1 ILE 92 7.577 8.363 4.225 709 1HG2 ILE 92 1HG2 ILE 92 5.916 5.107 4.433 710 2HG2 ILE 92 2HG2 ILE 92 7.598 4.591 4.566 711 3HG2 ILE 92 3HG2 ILE 92 6.727 4.376 3.049 712 1HD1 ILE 92 1HD1 ILE 92 5.768 6.541 5.795 713 2HD1 ILE 92 2HD1 ILE 92 5.230 7.771 4.652 714 3HD1 ILE 92 3HD1 ILE 92 6.091 8.244 6.116 715 H ALA 93 H ALA 93 7.862 6.349 0.424 716 HA ALA 93 HA ALA 93 7.620 3.591 -0.080 717 1HB ALA 93 1HB ALA 93 7.312 4.207 -2.401 718 2HB ALA 93 2HB ALA 93 7.984 5.809 -2.094 719 3HB ALA 93 3HB ALA 93 6.448 5.341 -1.362 720 H ASN 94 H ASN 94 10.293 5.802 -0.351 721 HA ASN 94 HA ASN 94 11.941 4.322 -2.077 722 1HB ASN 94 1HB ASN 94 12.273 6.720 -1.374 723 2HB ASN 94 2HB ASN 94 12.879 6.116 0.166 724 1HD2 ASN 94 1HD2 ASN 94 13.478 6.406 -3.239 725 2HD2 ASN 94 2HD2 ASN 94 15.149 5.978 -3.189 726 H GLU 95 H GLU 95 11.571 4.250 1.446 727 HA GLU 95 HA GLU 95 13.707 2.534 2.030 728 1HB GLU 95 1HB GLU 95 12.451 3.803 3.739 729 2HB GLU 95 2HB GLU 95 11.057 2.763 3.479 730 1HG GLU 95 1HG GLU 95 12.293 2.125 5.474 731 2HG GLU 95 2HG GLU 95 12.314 0.843 4.266 732 H CYS 96 H CYS 96 10.386 1.864 1.079 733 HA CYS 96 HA CYS 96 10.530 -0.952 1.452 734 1HB CYS 96 1HB CYS 96 8.639 0.840 -0.064 735 2HB CYS 96 2HB CYS 96 8.460 -0.912 -0.027 736 H ILE 97 H ILE 97 11.099 1.175 -1.307 737 HA ILE 97 HA ILE 97 11.268 -0.843 -3.278 738 HB ILE 97 HB ILE 97 12.526 1.905 -3.220 739 1HG1 ILE 97 1HG1 ILE 97 10.050 0.994 -4.685 740 2HG1 ILE 97 2HG1 ILE 97 9.995 1.707 -3.078 741 1HG2 ILE 97 1HG2 ILE 97 13.690 0.536 -4.827 742 2HG2 ILE 97 2HG2 ILE 97 12.644 1.670 -5.681 743 3HG2 ILE 97 3HG2 ILE 97 12.164 -0.019 -5.513 744 1HD1 ILE 97 1HD1 ILE 97 9.510 3.339 -4.823 745 2HD1 ILE 97 2HD1 ILE 97 11.090 3.036 -5.547 746 3HD1 ILE 97 3HD1 ILE 97 10.979 3.755 -3.940 747 H GLU 98 H GLU 98 13.419 0.099 -0.779 748 HA GLU 98 HA GLU 98 15.797 -0.892 -2.100 749 1HB GLU 98 1HB GLU 98 15.313 0.113 0.704 750 2HB GLU 98 2HB GLU 98 16.881 -0.417 0.110 751 1HG GLU 98 1HG GLU 98 15.265 1.846 -1.042 752 2HG GLU 98 2HG GLU 98 16.623 2.021 0.068 753 H ASN 99 H ASN 99 13.479 -2.047 0.284 754 HA ASN 99 HA ASN 99 15.100 -4.432 0.747 755 1HB ASN 99 1HB ASN 99 13.908 -4.774 2.684 756 2HB ASN 99 2HB ASN 99 13.810 -3.023 2.555 757 1HD2 ASN 99 1HD2 ASN 99 11.866 -2.066 1.946 758 2HD2 ASN 99 2HD2 ASN 99 10.366 -2.920 2.024 759 H ALA 100 H ALA 100 12.457 -3.407 -1.157 760 HA ALA 100 HA ALA 100 11.508 -6.160 -1.524 761 1HB ALA 100 1HB ALA 100 9.802 -4.476 -1.041 762 2HB ALA 100 2HB ALA 100 9.577 -5.188 -2.639 763 3HB ALA 100 3HB ALA 100 10.281 -3.578 -2.482 764 H LYS 101 H LYS 101 13.363 -3.716 -3.015 765 HA LYS 101 HA LYS 101 14.031 -3.340 -5.196 766 1HB LYS 101 1HB LYS 101 15.263 -5.753 -5.772 767 2HB LYS 101 2HB LYS 101 15.965 -4.391 -4.914 768 1HG LYS 101 1HG LYS 101 16.395 -6.121 -3.472 769 2HG LYS 101 2HG LYS 101 14.884 -5.491 -2.820 770 1HD LYS 101 1HD LYS 101 13.707 -7.224 -4.237 771 2HD LYS 101 2HD LYS 101 15.296 -7.939 -4.510 772 1HE LYS 101 1HE LYS 101 14.121 -7.423 -1.786 773 2HE LYS 101 2HE LYS 101 14.002 -8.960 -2.633 774 1HZ LYS 101 1HZ LYS 101 16.533 -7.618 -1.853 775 2HZ LYS 101 2HZ LYS 101 16.409 -9.109 -2.642 776 3HZ LYS 101 3HZ LYS 101 15.838 -8.940 -1.059 777 H GLY 102 H GLY 102 13.596 -6.800 -5.769 778 1HA GLY 102 1HA GLY 102 11.231 -6.480 -7.343 779 2HA GLY 102 2HA GLY 102 12.671 -6.579 -8.346 780 H GLU 103 H GLU 103 10.882 -8.272 -5.800 781 HA GLU 103 HA GLU 103 12.277 -10.732 -6.109 782 1HB GLU 103 1HB GLU 103 9.643 -10.025 -4.819 783 2HB GLU 103 2HB GLU 103 10.300 -11.653 -4.808 784 1HG GLU 103 1HG GLU 103 11.601 -9.209 -3.631 785 2HG GLU 103 2HG GLU 103 10.786 -10.490 -2.735 786 H THR 104 H THR 104 11.620 -12.640 -7.118 787 HA THR 104 HA THR 104 10.186 -12.259 -9.575 788 HB THR 104 HB THR 104 10.667 -14.638 -9.999 789 HG1 THR 104 1HG THR 104 10.711 -14.874 -7.435 790 1HG2 THR 104 1HG2 THR 104 12.364 -12.965 -10.549 791 2HG2 THR 104 2HG2 THR 104 13.115 -14.473 -10.025 792 3HG2 THR 104 3HG2 THR 104 13.033 -13.097 -8.923 793 H ASP 105 H ASP 105 9.342 -13.269 -6.415 794 HA ASP 105 HA ASP 105 6.912 -14.600 -7.367 795 1HB ASP 105 1HB ASP 105 8.216 -15.788 -5.664 796 2HB ASP 105 2HB ASP 105 8.068 -14.411 -4.580 797 H GLU 106 H GLU 106 4.861 -13.889 -6.839 798 HA GLU 106 HA GLU 106 4.453 -11.128 -6.694 799 1HB GLU 106 1HB GLU 106 2.815 -12.739 -7.604 800 2HB GLU 106 2HB GLU 106 2.502 -13.319 -5.974 801 1HG GLU 106 1HG GLU 106 0.764 -11.802 -6.656 802 2HG GLU 106 2HG GLU 106 1.704 -11.085 -5.349 803 H CYS 107 H CYS 107 3.444 -13.464 -4.190 804 HA CYS 107 HA CYS 107 2.937 -11.628 -2.194 805 1HB CYS 107 1HB CYS 107 3.764 -14.515 -2.084 806 2HB CYS 107 2HB CYS 107 3.455 -13.594 -0.615 807 H ASN 108 H ASN 108 6.008 -12.734 -3.347 808 HA ASN 108 HA ASN 108 7.488 -11.997 -1.008 809 1HB ASN 108 1HB ASN 108 8.304 -12.640 -3.838 810 2HB ASN 108 2HB ASN 108 9.469 -12.151 -2.611 811 1HD2 ASN 108 1HD2 ASN 108 10.526 -14.122 -2.677 812 2HD2 ASN 108 2HD2 ASN 108 9.844 -15.562 -2.009 813 H ILE 109 H ILE 109 6.811 -10.472 -4.137 814 HA ILE 109 HA ILE 109 8.370 -8.158 -3.682 815 HB ILE 109 HB ILE 109 6.317 -8.972 -5.649 816 1HG1 ILE 109 1HG1 ILE 109 8.956 -7.506 -5.803 817 2HG1 ILE 109 2HG1 ILE 109 8.679 -9.209 -6.139 818 1HG2 ILE 109 1HG2 ILE 109 6.077 -6.670 -6.541 819 2HG2 ILE 109 2HG2 ILE 109 6.860 -6.061 -5.083 820 3HG2 ILE 109 3HG2 ILE 109 5.310 -6.894 -4.970 821 1HD1 ILE 109 1HD1 ILE 109 8.927 -7.991 -8.197 822 2HD1 ILE 109 2HD1 ILE 109 7.636 -6.883 -7.732 823 3HD1 ILE 109 3HD1 ILE 109 7.271 -8.579 -8.051 824 H GLY 110 H GLY 110 4.976 -8.940 -3.080 825 1HA GLY 110 1HA GLY 110 4.237 -6.317 -2.255 826 2HA GLY 110 2HA GLY 110 3.310 -7.785 -2.002 827 H ASN 111 H ASN 111 4.929 -9.296 -0.411 828 HA ASN 111 HA ASN 111 4.429 -8.308 2.114 829 1HB ASN 111 1HB ASN 111 4.863 -10.621 1.954 830 2HB ASN 111 2HB ASN 111 6.418 -10.363 1.165 831 1HD2 ASN 111 1HD2 ASN 111 5.328 -8.516 3.903 832 2HD2 ASN 111 2HD2 ASN 111 6.445 -9.171 5.041 833 H LYS 112 H LYS 112 7.638 -8.418 0.549 834 HA LYS 112 HA LYS 112 9.036 -7.010 2.476 835 1HB LYS 112 1HB LYS 112 9.442 -7.115 -0.509 836 2HB LYS 112 2HB LYS 112 10.602 -6.411 0.607 837 1HG LYS 112 1HG LYS 112 9.665 -9.247 0.875 838 2HG LYS 112 2HG LYS 112 11.013 -8.798 -0.169 839 1HD LYS 112 1HD LYS 112 12.203 -9.216 1.716 840 2HD LYS 112 2HD LYS 112 11.769 -7.542 2.069 841 1HE LYS 112 1HE LYS 112 9.839 -8.330 3.367 842 2HE LYS 112 2HE LYS 112 10.300 -9.998 3.027 843 1HZ LYS 112 1HZ LYS 112 11.058 -9.299 5.208 844 2HZ LYS 112 2HZ LYS 112 11.937 -8.025 4.528 845 3HZ LYS 112 3HZ LYS 112 12.380 -9.624 4.201 846 H TYR 113 H TYR 113 7.291 -5.726 -0.336 847 HA TYR 113 HA TYR 113 8.039 -3.015 0.156 848 1HB TYR 113 1HB TYR 113 7.392 -3.993 -2.074 849 2HB TYR 113 2HB TYR 113 5.723 -4.007 -1.513 850 HD1 TYR 113 1HD TYR 113 4.475 -1.937 -1.287 851 HD2 TYR 113 2HD TYR 113 8.524 -1.901 -2.593 852 HE1 TYR 113 1HE TYR 113 4.204 0.386 -2.043 853 HE2 TYR 113 2HE TYR 113 8.264 0.423 -3.353 854 HH TYR 113 HH TYR 113 6.487 1.954 -4.025 855 H THR 114 H THR 114 4.786 -4.467 0.211 856 HA THR 114 HA THR 114 3.444 -2.399 1.411 857 HB THR 114 HB THR 114 1.705 -3.958 1.995 858 HG1 THR 114 1HG THR 114 2.757 -5.641 2.964 859 1HG2 THR 114 1HG2 THR 114 3.080 -4.899 -0.521 860 2HG2 THR 114 2HG2 THR 114 2.035 -3.487 -0.398 861 3HG2 THR 114 3HG2 THR 114 1.375 -5.098 -0.124 862 H ASP 115 H ASP 115 5.162 -5.051 3.034 863 HA ASP 115 HA ASP 115 4.486 -4.792 5.634 864 1HB ASP 115 1HB ASP 115 6.158 -6.386 4.859 865 2HB ASP 115 2HB ASP 115 7.300 -5.072 4.568 866 H CYS 116 H CYS 116 7.314 -3.028 4.378 867 HA CYS 116 HA CYS 116 7.709 -1.444 6.629 868 1HB CYS 116 1HB CYS 116 8.801 0.125 4.773 869 2HB CYS 116 2HB CYS 116 9.547 -1.385 5.292 870 H TYR 117 H TYR 117 5.401 -1.006 4.055 871 HA TYR 117 HA TYR 117 5.002 1.752 4.245 872 1HB TYR 117 1HB TYR 117 3.853 -0.272 2.791 873 2HB TYR 117 2HB TYR 117 2.536 0.201 3.859 874 HD1 TYR 117 1HD TYR 117 1.039 1.384 2.521 875 HD2 TYR 117 2HD TYR 117 5.190 2.290 2.267 876 HE1 TYR 117 1HE TYR 117 0.531 3.290 1.051 877 HE2 TYR 117 2HE TYR 117 4.694 4.198 0.802 878 HH TYR 117 HH TYR 117 1.570 5.429 0.378 879 H ILE 118 H ILE 118 3.989 -0.846 6.329 880 HA ILE 118 HA ILE 118 2.200 0.825 7.888 881 HB ILE 118 HB ILE 118 3.210 -1.954 8.509 882 1HG1 ILE 118 1HG1 ILE 118 2.029 -1.933 6.365 883 2HG1 ILE 118 2HG1 ILE 118 1.070 -2.752 7.594 884 1HG2 ILE 118 1HG2 ILE 118 2.345 -0.809 10.459 885 2HG2 ILE 118 2HG2 ILE 118 1.226 -2.077 9.959 886 3HG2 ILE 118 3HG2 ILE 118 0.870 -0.389 9.588 887 1HD1 ILE 118 1HD1 ILE 118 -0.325 -1.350 6.207 888 2HD1 ILE 118 2HD1 ILE 118 0.660 0.060 6.599 889 3HD1 ILE 118 3HD1 ILE 118 -0.289 -0.732 7.857 890 H GLU 119 H GLU 119 5.510 -0.199 7.912 891 HA GLU 119 HA GLU 119 6.047 0.309 10.656 892 1HB GLU 119 1HB GLU 119 7.477 -1.123 9.241 893 2HB GLU 119 2HB GLU 119 7.947 0.286 8.304 894 1HG GLU 119 1HG GLU 119 9.684 -0.264 9.868 895 2HG GLU 119 2HG GLU 119 8.947 1.272 10.319 896 H LYS 120 H LYS 120 6.766 2.176 7.703 897 HA LYS 120 HA LYS 120 7.491 4.497 9.270 898 1HB LYS 120 1HB LYS 120 7.226 4.315 6.278 899 2HB LYS 120 2HB LYS 120 8.161 5.483 7.203 900 1HG LYS 120 1HG LYS 120 8.738 2.531 7.055 901 2HG LYS 120 2HG LYS 120 9.556 3.779 6.113 902 1HD LYS 120 1HD LYS 120 10.384 4.807 8.151 903 2HD LYS 120 2HD LYS 120 9.513 3.621 9.125 904 1HE LYS 120 1HE LYS 120 10.854 1.828 8.121 905 2HE LYS 120 2HE LYS 120 11.733 3.027 7.171 906 1HZ LYS 120 1HZ LYS 120 11.680 2.892 10.139 907 2HZ LYS 120 2HZ LYS 120 12.546 4.013 9.214 908 3HZ LYS 120 3HZ LYS 120 12.956 2.373 9.155 909 H LEU 121 H LEU 121 5.126 3.885 6.662 910 HA LEU 121 HA LEU 121 3.748 6.353 7.282 911 1HB LEU 121 1HB LEU 121 4.115 5.664 4.961 912 2HB LEU 121 2HB LEU 121 3.145 4.232 5.229 913 HG LEU 121 HG LEU 121 1.169 5.627 5.609 914 1HD1 LEU 121 1HD1 LEU 121 3.007 7.923 4.947 915 2HD1 LEU 121 2HD1 LEU 121 2.240 7.612 6.504 916 3HD1 LEU 121 3HD1 LEU 121 1.253 8.026 5.102 917 1HD2 LEU 121 1HD2 LEU 121 0.881 6.392 3.308 918 2HD2 LEU 121 2HD2 LEU 121 1.649 4.805 3.370 919 3HD2 LEU 121 3HD2 LEU 121 2.618 6.240 3.041 920 H PHE 122 H PHE 122 3.492 3.165 8.403 921 HA PHE 122 HA PHE 122 1.984 2.150 9.770 922 1HB PHE 122 1HB PHE 122 1.621 3.925 11.176 923 2HB PHE 122 2HB PHE 122 1.097 4.988 9.879 924 HD1 PHE 122 1HD PHE 122 -0.005 1.929 11.693 925 HD2 PHE 122 2HD PHE 122 -1.131 5.549 9.764 926 HE1 PHE 122 1HE PHE 122 -2.341 1.549 12.359 927 HE2 PHE 122 2HE PHE 122 -3.466 5.185 10.430 928 HZ PHE 122 HZ PHE 122 -4.087 3.185 11.702 929 H SER 123 H SER 123 1.031 3.627 6.832 930 HA SER 123 HA SER 123 -0.543 1.478 6.004 931 1HB SER 123 1HB SER 123 -2.229 2.186 7.574 932 2HB SER 123 2HB SER 123 -2.126 3.853 7.007 933 HG SER 123 HG SER 123 -3.662 1.887 6.088 934 1H4 TSD 124 1H4 TSP 124 -4.057 -2.502 -0.432 935 2H4 TSD 124 2H4 TSP 124 -4.899 -1.122 -1.094 936 3H4 TSD 124 3H4 TSP 124 -5.118 -1.554 0.585 937 1H5 TSD 124 1H5 TSP 124 -2.015 -2.441 1.123 938 2H5 TSD 124 2H5 TSP 124 -1.417 -1.016 1.943 939 3H5 TSD 124 3H5 TSP 124 -0.821 -1.424 0.351 940 1H6 TSD 124 1H6 TSP 124 -4.370 1.417 0.952 941 2H6 TSD 124 2H6 TSP 124 -2.754 1.520 1.613 942 3H6 TSD 124 3H6 TSP 124 -3.911 0.407 2.304 943 1D3 TSD 124 1D3 TSP 124 -2.083 -0.418 -1.966 944 2D3 TSD 124 2D3 TSP 124 -3.173 0.931 -1.716 945 1D2 TSD 124 1D2 TSP 124 -0.335 0.740 -0.657 946 2D2 TSD 124 2D2 TSP 124 -1.431 2.096 -0.394 Start of MODEL 15 1 HA ILE 1 HA ILE 1 -1.917 14.639 10.911 2 HB ILE 1 HB ILE 1 -1.284 12.768 9.405 3 1HG1 ILE 1 1HG1 ILE 1 0.838 12.222 11.498 4 2HG1 ILE 1 2HG1 ILE 1 -0.547 11.188 11.163 5 1HG2 ILE 1 1HG2 ILE 1 0.901 13.670 8.793 6 2HG2 ILE 1 2HG2 ILE 1 1.019 14.465 10.363 7 3HG2 ILE 1 3HG2 ILE 1 -0.224 14.962 9.214 8 1HD1 ILE 1 1HD1 ILE 1 1.718 11.814 9.284 9 2HD1 ILE 1 2HD1 ILE 1 0.307 10.837 8.882 10 3HD1 ILE 1 3HD1 ILE 1 1.432 10.291 10.126 11 H ASP 2 H ASP 2 -3.901 13.801 10.643 12 HA ASP 2 HA ASP 2 -4.881 11.951 12.608 13 1HB ASP 2 1HB ASP 2 -6.256 13.232 10.237 14 2HB ASP 2 2HB ASP 2 -7.066 12.306 11.497 15 H GLN 3 H GLN 3 -5.455 9.863 12.373 16 HA GLN 3 HA GLN 3 -4.255 8.249 10.452 17 1HB GLN 3 1HB GLN 3 -5.943 6.518 11.244 18 2HB GLN 3 2HB GLN 3 -4.904 7.226 12.474 19 1HG GLN 3 1HG GLN 3 -6.717 8.731 13.127 20 2HG GLN 3 2HG GLN 3 -7.753 8.006 11.899 21 1HE2 GLN 3 1HE2 GLN 3 -8.084 8.147 14.801 22 2HE2 GLN 3 2HE2 GLN 3 -8.241 6.513 15.340 23 H ASP 4 H ASP 4 -7.374 9.793 10.495 24 HA ASP 4 HA ASP 4 -8.785 8.456 8.564 25 1HB ASP 4 1HB ASP 4 -9.710 10.323 9.847 26 2HB ASP 4 2HB ASP 4 -8.666 11.450 8.987 27 H THR 5 H THR 5 -6.312 10.947 8.064 28 HA THR 5 HA THR 5 -6.553 11.299 5.321 29 HB THR 5 HB THR 5 -5.030 12.538 6.998 30 HG1 THR 5 1HG THR 5 -3.823 13.264 5.258 31 1HG2 THR 5 1HG2 THR 5 -3.034 10.496 6.018 32 2HG2 THR 5 2HG2 THR 5 -3.745 10.473 7.631 33 3HG2 THR 5 3HG2 THR 5 -2.745 11.835 7.129 34 H VAL 6 H VAL 6 -5.027 8.710 7.103 35 HA VAL 6 HA VAL 6 -3.872 7.567 4.696 36 HB VAL 6 HB VAL 6 -3.902 6.517 7.527 37 1HG1 VAL 6 1HG1 VAL 6 -3.644 4.707 5.931 38 2HG1 VAL 6 2HG1 VAL 6 -2.118 5.008 6.761 39 3HG1 VAL 6 3HG1 VAL 6 -2.353 5.588 5.112 40 1HG2 VAL 6 1HG2 VAL 6 -2.665 8.594 7.346 41 2HG2 VAL 6 2HG2 VAL 6 -1.762 7.963 5.970 42 3HG2 VAL 6 3HG2 VAL 6 -1.551 7.245 7.567 43 H VAL 7 H VAL 7 -5.953 6.206 7.255 44 HA VAL 7 HA VAL 7 -6.759 3.973 5.776 45 HB VAL 7 HB VAL 7 -8.279 5.271 8.036 46 1HG1 VAL 7 1HG1 VAL 7 -8.243 2.431 7.015 47 2HG1 VAL 7 2HG1 VAL 7 -9.568 3.582 6.855 48 3HG1 VAL 7 3HG1 VAL 7 -9.100 2.993 8.449 49 1HG2 VAL 7 1HG2 VAL 7 -6.048 3.241 8.115 50 2HG2 VAL 7 2HG2 VAL 7 -7.016 3.750 9.499 51 3HG2 VAL 7 3HG2 VAL 7 -5.966 4.909 8.682 52 H ALA 8 H ALA 8 -8.786 6.792 6.621 53 HA ALA 8 HA ALA 8 -10.977 6.083 5.076 54 1HB ALA 8 1HB ALA 8 -10.108 8.891 5.723 55 2HB ALA 8 2HB ALA 8 -10.975 7.819 6.824 56 3HB ALA 8 3HB ALA 8 -11.738 8.346 5.325 57 H LYS 9 H LYS 9 -7.970 7.523 4.008 58 HA LYS 9 HA LYS 9 -9.172 8.356 1.488 59 1HB LYS 9 1HB LYS 9 -6.362 8.569 2.554 60 2HB LYS 9 2HB LYS 9 -6.813 9.064 0.931 61 1HG LYS 9 1HG LYS 9 -7.960 10.189 3.478 62 2HG LYS 9 2HG LYS 9 -6.723 10.954 2.480 63 1HD LYS 9 1HD LYS 9 -9.497 10.244 1.524 64 2HD LYS 9 2HD LYS 9 -9.017 11.842 2.097 65 1HE LYS 9 1HE LYS 9 -7.339 11.971 0.317 66 2HE LYS 9 2HE LYS 9 -7.826 10.375 -0.257 67 1HZ LYS 9 1HZ LYS 9 -9.562 12.785 -0.171 68 2HZ LYS 9 2HZ LYS 9 -10.026 11.257 -0.728 69 3HZ LYS 9 3HZ LYS 9 -8.844 12.136 -1.559 70 H TYR 10 H TYR 10 -6.421 6.251 2.377 71 HA TYR 10 HA TYR 10 -6.042 5.130 -0.130 72 1HB TYR 10 1HB TYR 10 -5.498 4.086 2.638 73 2HB TYR 10 2HB TYR 10 -5.116 3.130 1.210 74 HD1 TYR 10 1HD TYR 10 -3.843 4.635 -0.672 75 HD2 TYR 10 2HD TYR 10 -3.734 5.270 3.531 76 HE1 TYR 10 1HE TYR 10 -1.707 5.828 -0.914 77 HE2 TYR 10 2HE TYR 10 -1.599 6.469 3.303 78 HH TYR 10 HH TYR 10 0.282 6.597 1.725 79 H MET 11 H MET 11 -8.597 4.615 2.093 80 HA MET 11 HA MET 11 -9.391 2.063 0.985 81 1HB MET 11 1HB MET 11 -10.494 3.896 3.085 82 2HB MET 11 2HB MET 11 -11.494 2.606 2.435 83 1HG MET 11 1HG MET 11 -8.822 2.267 3.779 84 2HG MET 11 2HG MET 11 -10.397 1.941 4.500 85 1HE MET 11 1HE MET 11 -8.943 -1.657 4.051 86 2HE MET 11 2HE MET 11 -9.700 -0.525 5.170 87 3HE MET 11 3HE MET 11 -8.088 -0.194 4.535 88 H GLU 12 H GLU 12 -10.880 5.293 1.161 89 HA GLU 12 HA GLU 12 -12.950 4.745 -0.675 90 1HB GLU 12 1HB GLU 12 -13.090 6.566 0.934 91 2HB GLU 12 2HB GLU 12 -11.724 7.372 0.177 92 1HG GLU 12 1HG GLU 12 -13.032 7.678 -1.861 93 2HG GLU 12 2HG GLU 12 -14.400 6.867 -1.103 94 H TYR 13 H TYR 13 -9.851 6.415 -1.067 95 HA TYR 13 HA TYR 13 -9.963 7.302 -3.634 96 1HB TYR 13 1HB TYR 13 -8.037 7.352 -1.878 97 2HB TYR 13 2HB TYR 13 -7.490 5.889 -2.689 98 HD1 TYR 13 1HD TYR 13 -7.703 9.490 -2.829 99 HD2 TYR 13 2HD TYR 13 -6.857 5.999 -5.111 100 HE1 TYR 13 1HE TYR 13 -6.570 10.873 -4.516 101 HE2 TYR 13 2HE TYR 13 -5.722 7.375 -6.805 102 HH TYR 13 HH TYR 13 -5.723 9.702 -7.587 103 H LEU 14 H LEU 14 -9.512 3.971 -2.586 104 HA LEU 14 HA LEU 14 -9.891 3.118 -5.367 105 1HB LEU 14 1HB LEU 14 -7.802 1.957 -3.524 106 2HB LEU 14 2HB LEU 14 -8.167 1.407 -5.147 107 HG LEU 14 HG LEU 14 -7.111 4.159 -4.514 108 1HD1 LEU 14 1HD1 LEU 14 -5.621 1.715 -5.462 109 2HD1 LEU 14 2HD1 LEU 14 -5.478 2.465 -3.872 110 3HD1 LEU 14 3HD1 LEU 14 -4.954 3.341 -5.309 111 1HD2 LEU 14 1HD2 LEU 14 -7.320 2.634 -7.109 112 2HD2 LEU 14 2HD2 LEU 14 -6.637 4.246 -6.902 113 3HD2 LEU 14 3HD2 LEU 14 -8.355 3.973 -6.615 114 H MET 15 H MET 15 -11.911 3.153 -3.518 115 HA MET 15 HA MET 15 -12.142 0.702 -2.093 116 1HB MET 15 1HB MET 15 -13.370 2.542 -1.261 117 2HB MET 15 2HB MET 15 -14.105 2.860 -2.826 118 1HG MET 15 1HG MET 15 -15.367 0.787 -2.658 119 2HG MET 15 2HG MET 15 -14.635 0.463 -1.088 120 1HE MET 15 1HE MET 15 -15.854 3.923 -2.544 121 2HE MET 15 2HE MET 15 -17.505 3.983 -1.928 122 3HE MET 15 3HE MET 15 -17.055 2.775 -3.132 123 HA PRO 16 HA PRO 16 -15.080 -0.610 -5.708 124 1HB PRO 16 1HB PRO 16 -14.857 0.713 -8.064 125 2HB PRO 16 2HB PRO 16 -15.986 1.203 -6.796 126 1HG PRO 16 1HG PRO 16 -13.281 2.307 -7.456 127 2HG PRO 16 2HG PRO 16 -14.777 3.175 -7.059 128 1HD PRO 16 1HD PRO 16 -12.808 2.772 -5.251 129 2HD PRO 16 2HD PRO 16 -14.523 2.834 -4.793 130 H ASP 17 H ASP 17 -11.816 0.074 -5.727 131 HA ASP 17 HA ASP 17 -11.249 -1.736 -7.966 132 1HB ASP 17 1HB ASP 17 -9.419 0.142 -6.458 133 2HB ASP 17 2HB ASP 17 -8.927 -0.890 -7.797 134 H ILE 18 H ILE 18 -11.247 -1.541 -4.538 135 HA ILE 18 HA ILE 18 -9.323 -3.678 -4.177 136 HB ILE 18 HB ILE 18 -11.061 -2.144 -2.255 137 1HG1 ILE 18 1HG1 ILE 18 -8.053 -2.387 -2.418 138 2HG1 ILE 18 2HG1 ILE 18 -8.967 -1.122 -3.232 139 1HG2 ILE 18 1HG2 ILE 18 -9.232 -4.465 -1.652 140 2HG2 ILE 18 2HG2 ILE 18 -10.975 -4.394 -1.397 141 3HG2 ILE 18 3HG2 ILE 18 -9.904 -3.374 -0.437 142 1HD1 ILE 18 1HD1 ILE 18 -8.883 -1.599 -0.262 143 2HD1 ILE 18 2HD1 ILE 18 -9.778 -0.319 -1.080 144 3HD1 ILE 18 3HD1 ILE 18 -8.015 -0.338 -1.137 145 H MET 19 H MET 19 -12.825 -3.284 -4.118 146 HA MET 19 HA MET 19 -13.638 -5.634 -2.948 147 1HB MET 19 1HB MET 19 -15.180 -4.977 -5.361 148 2HB MET 19 2HB MET 19 -15.707 -5.133 -3.693 149 1HG MET 19 1HG MET 19 -14.804 -2.885 -3.234 150 2HG MET 19 2HG MET 19 -14.380 -2.736 -4.939 151 1HE MET 19 1HE MET 19 -16.224 -2.853 -6.907 152 2HE MET 19 2HE MET 19 -17.960 -2.936 -6.604 153 3HE MET 19 3HE MET 19 -16.931 -4.314 -6.216 154 HA PRO 20 HA PRO 20 -13.525 -7.616 -7.612 155 1HB PRO 20 1HB PRO 20 -10.787 -6.438 -7.933 156 2HB PRO 20 2HB PRO 20 -11.945 -6.937 -9.173 157 1HG PRO 20 1HG PRO 20 -11.678 -4.370 -8.501 158 2HG PRO 20 2HG PRO 20 -13.265 -5.059 -8.886 159 1HD PRO 20 1HD PRO 20 -12.170 -4.204 -6.280 160 2HD PRO 20 2HD PRO 20 -13.858 -4.364 -6.799 161 H CYS 21 H CYS 21 -10.436 -7.107 -5.867 162 HA CYS 21 HA CYS 21 -9.879 -9.962 -6.016 163 1HB CYS 21 1HB CYS 21 -8.218 -7.790 -4.734 164 2HB CYS 21 2HB CYS 21 -7.691 -9.410 -5.180 165 H ALA 22 H ALA 22 -10.488 -7.514 -3.540 166 HA ALA 22 HA ALA 22 -10.098 -9.194 -1.316 167 1HB ALA 22 1HB ALA 22 -10.120 -6.752 -1.156 168 2HB ALA 22 2HB ALA 22 -11.268 -7.486 -0.036 169 3HB ALA 22 3HB ALA 22 -11.843 -6.743 -1.529 170 H ASP 23 H ASP 23 -12.458 -9.375 -3.673 171 HA ASP 23 HA ASP 23 -14.595 -10.254 -1.927 172 1HB ASP 23 1HB ASP 23 -14.302 -9.686 -4.810 173 2HB ASP 23 2HB ASP 23 -15.433 -10.971 -4.406 174 H GLU 24 H GLU 24 -12.064 -11.682 -3.849 175 HA GLU 24 HA GLU 24 -13.195 -14.342 -3.711 176 1HB GLU 24 1HB GLU 24 -11.868 -13.448 -5.666 177 2HB GLU 24 2HB GLU 24 -10.440 -13.558 -4.648 178 1HG GLU 24 1HG GLU 24 -10.751 -15.954 -4.425 179 2HG GLU 24 2HG GLU 24 -12.224 -15.867 -5.392 180 H LEU 25 H LEU 25 -10.211 -12.809 -2.531 181 HA LEU 25 HA LEU 25 -9.983 -14.936 -0.507 182 1HB LEU 25 1HB LEU 25 -7.699 -13.187 -1.089 183 2HB LEU 25 2HB LEU 25 -7.714 -14.878 -0.659 184 HG LEU 25 HG LEU 25 -8.855 -14.778 -3.211 185 1HD1 LEU 25 1HD1 LEU 25 -6.376 -13.056 -3.106 186 2HD1 LEU 25 2HD1 LEU 25 -8.011 -12.472 -3.426 187 3HD1 LEU 25 3HD1 LEU 25 -7.234 -13.582 -4.556 188 1HD2 LEU 25 1HD2 LEU 25 -7.429 -16.541 -2.342 189 2HD2 LEU 25 2HD2 LEU 25 -6.047 -15.444 -2.337 190 3HD2 LEU 25 3HD2 LEU 25 -6.785 -15.926 -3.865 191 H HIS 26 H HIS 26 -11.663 -12.858 0.030 192 HA HIS 26 HA HIS 26 -10.731 -10.609 1.290 193 1HB HIS 26 1HB HIS 26 -13.140 -11.214 0.753 194 2HB HIS 26 2HB HIS 26 -13.136 -12.168 2.229 195 HD1 HIS 26 1HD HIS 26 -12.908 -8.599 1.045 196 HD2 HIS 26 2HD HIS 26 -13.454 -10.736 4.567 197 HE1 HIS 26 1HE HIS 26 -13.557 -6.892 2.773 198 HE2 HIS 26 2HE HIS 26 -13.976 -8.221 4.870 199 H ILE 27 H ILE 27 -8.861 -11.312 2.352 200 HA ILE 27 HA ILE 27 -9.353 -12.027 5.146 201 HB ILE 27 HB ILE 27 -7.305 -13.421 5.199 202 1HG1 ILE 27 1HG1 ILE 27 -7.441 -13.336 2.178 203 2HG1 ILE 27 2HG1 ILE 27 -6.284 -12.419 3.132 204 1HG2 ILE 27 1HG2 ILE 27 -9.500 -14.467 5.025 205 2HG2 ILE 27 2HG2 ILE 27 -8.284 -15.405 4.159 206 3HG2 ILE 27 3HG2 ILE 27 -9.410 -14.385 3.265 207 1HD1 ILE 27 1HD1 ILE 27 -5.315 -14.469 3.970 208 2HD1 ILE 27 2HD1 ILE 27 -5.330 -14.471 2.206 209 3HD1 ILE 27 3HD1 ILE 27 -6.520 -15.418 3.099 210 H SER 28 H SER 28 -9.147 -9.524 4.352 211 HA SER 28 HA SER 28 -6.728 -8.300 3.922 212 1HB SER 28 1HB SER 28 -8.841 -7.109 3.807 213 2HB SER 28 2HB SER 28 -9.062 -7.281 5.549 214 HG SER 28 HG SER 28 -7.942 -5.526 5.745 215 H GLU 29 H GLU 29 -5.880 -6.612 5.642 216 HA GLU 29 HA GLU 29 -4.112 -7.810 7.292 217 1HB GLU 29 1HB GLU 29 -5.366 -5.135 7.227 218 2HB GLU 29 2HB GLU 29 -4.513 -5.555 8.705 219 1HG GLU 29 1HG GLU 29 -2.481 -5.851 7.566 220 2HG GLU 29 2HG GLU 29 -3.267 -5.827 5.989 221 H ASP 30 H ASP 30 -7.484 -7.632 7.883 222 HA ASP 30 HA ASP 30 -7.221 -7.913 10.751 223 1HB ASP 30 1HB ASP 30 -9.634 -7.994 8.937 224 2HB ASP 30 2HB ASP 30 -9.715 -8.149 10.689 225 H ILE 31 H ILE 31 -8.941 -9.921 8.355 226 HA ILE 31 HA ILE 31 -8.848 -12.228 10.043 227 HB ILE 31 HB ILE 31 -9.551 -12.093 7.106 228 1HG1 ILE 31 1HG1 ILE 31 -11.389 -11.887 9.500 229 2HG1 ILE 31 2HG1 ILE 31 -10.869 -10.516 8.526 230 1HG2 ILE 31 1HG2 ILE 31 -10.222 -14.113 9.246 231 2HG2 ILE 31 2HG2 ILE 31 -9.157 -14.356 7.862 232 3HG2 ILE 31 3HG2 ILE 31 -10.885 -14.111 7.612 233 1HD1 ILE 31 1HD1 ILE 31 -11.958 -11.498 6.573 234 2HD1 ILE 31 2HD1 ILE 31 -13.093 -11.238 7.899 235 3HD1 ILE 31 3HD1 ILE 31 -12.490 -12.860 7.560 236 H ALA 32 H ALA 32 -6.626 -10.869 7.862 237 HA ALA 32 HA ALA 32 -5.402 -12.985 6.612 238 1HB ALA 32 1HB ALA 32 -4.720 -10.651 6.300 239 2HB ALA 32 2HB ALA 32 -3.337 -11.686 6.652 240 3HB ALA 32 3HB ALA 32 -4.003 -10.645 7.911 241 H THR 33 H THR 33 -4.761 -11.780 9.884 242 HA THR 33 HA THR 33 -4.326 -14.357 10.962 243 HB THR 33 HB THR 33 -1.888 -12.754 10.242 244 HG1 THR 33 1HG THR 33 -1.269 -15.134 9.915 245 1HG2 THR 33 1HG2 THR 33 -2.106 -14.799 12.451 246 2HG2 THR 33 2HG2 THR 33 -1.697 -13.093 12.630 247 3HG2 THR 33 3HG2 THR 33 -0.593 -14.181 11.791 248 H ASN 34 H ASN 34 -5.119 -14.126 12.921 249 HA ASN 34 HA ASN 34 -5.865 -11.955 14.269 250 1HB ASN 34 1HB ASN 34 -5.460 -13.241 16.415 251 2HB ASN 34 2HB ASN 34 -6.414 -14.063 15.188 252 1HD2 ASN 34 1HD2 ASN 34 -4.848 -15.132 17.411 253 2HD2 ASN 34 2HD2 ASN 34 -3.717 -16.232 16.710 254 H ILE 35 H ILE 35 -2.900 -13.437 15.577 255 HA ILE 35 HA ILE 35 -1.513 -10.890 15.435 256 HB ILE 35 HB ILE 35 -0.976 -11.037 17.931 257 1HG1 ILE 35 1HG1 ILE 35 -3.556 -12.621 17.933 258 2HG1 ILE 35 2HG1 ILE 35 -1.962 -13.305 18.235 259 1HG2 ILE 35 1HG2 ILE 35 -3.771 -10.277 17.097 260 2HG2 ILE 35 2HG2 ILE 35 -2.334 -9.270 16.926 261 3HG2 ILE 35 3HG2 ILE 35 -2.922 -9.705 18.532 262 1HD1 ILE 35 1HD1 ILE 35 -3.327 -11.207 19.906 263 2HD1 ILE 35 2HD1 ILE 35 -1.732 -11.895 20.212 264 3HD1 ILE 35 3HD1 ILE 35 -3.166 -12.917 20.307 265 H GLN 36 H GLN 36 -1.064 -13.579 14.365 266 HA GLN 36 HA GLN 36 1.000 -14.841 15.876 267 1HB GLN 36 1HB GLN 36 -0.351 -16.032 14.174 268 2HB GLN 36 2HB GLN 36 0.425 -15.079 12.919 269 1HG GLN 36 1HG GLN 36 2.599 -16.029 13.578 270 2HG GLN 36 2HG GLN 36 1.772 -17.034 14.766 271 1HE2 GLN 36 1HE2 GLN 36 -0.536 -17.456 13.022 272 2HE2 GLN 36 2HE2 GLN 36 -0.026 -18.587 11.821 273 H ALA 37 H ALA 37 1.296 -13.279 12.673 274 HA ALA 37 HA ALA 37 4.070 -12.980 12.753 275 1HB ALA 37 1HB ALA 37 3.796 -11.381 10.931 276 2HB ALA 37 2HB ALA 37 2.070 -11.270 11.276 277 3HB ALA 37 3HB ALA 37 2.760 -12.788 10.699 278 H ALA 38 H ALA 38 1.498 -10.758 13.704 279 HA ALA 38 HA ALA 38 1.443 -8.979 15.105 280 1HB ALA 38 1HB ALA 38 3.107 -8.781 16.849 281 2HB ALA 38 2HB ALA 38 4.174 -9.889 15.987 282 3HB ALA 38 3HB ALA 38 2.642 -10.470 16.639 283 H LYS 39 H LYS 39 3.442 -9.143 12.513 284 HA LYS 39 HA LYS 39 5.213 -7.017 12.733 285 1HB LYS 39 1HB LYS 39 4.914 -8.635 10.773 286 2HB LYS 39 2HB LYS 39 3.615 -7.578 10.234 287 1HG LYS 39 1HG LYS 39 5.615 -7.027 9.043 288 2HG LYS 39 2HG LYS 39 5.229 -5.706 10.147 289 1HD LYS 39 1HD LYS 39 6.869 -6.599 11.753 290 2HD LYS 39 2HD LYS 39 7.277 -7.874 10.606 291 1HE LYS 39 1HE LYS 39 7.981 -6.166 8.984 292 2HE LYS 39 2HE LYS 39 7.606 -4.909 10.162 293 1HZ LYS 39 1HZ LYS 39 9.964 -5.430 10.141 294 2HZ LYS 39 2HZ LYS 39 9.637 -7.048 10.510 295 3HZ LYS 39 3HZ LYS 39 9.280 -5.836 11.634 296 H ASN 40 H ASN 40 1.985 -6.897 11.267 297 HA ASN 40 HA ASN 40 1.676 -4.151 12.283 298 1HB ASN 40 1HB ASN 40 0.434 -5.036 9.690 299 2HB ASN 40 2HB ASN 40 0.775 -3.401 10.252 300 1HD2 ASN 40 1HD2 ASN 40 2.036 -6.228 8.722 301 2HD2 ASN 40 2HD2 ASN 40 3.545 -5.547 8.230 302 H GLY 41 H GLY 41 0.809 -7.101 12.815 303 1HA GLY 41 1HA GLY 41 -0.999 -7.747 14.202 304 2HA GLY 41 2HA GLY 41 -1.954 -6.430 13.525 305 H ALA 42 H ALA 42 -0.782 -7.342 10.838 306 HA ALA 42 HA ALA 42 -2.953 -9.157 10.192 307 1HB ALA 42 1HB ALA 42 -0.922 -8.062 8.271 308 2HB ALA 42 2HB ALA 42 -2.292 -7.108 8.836 309 3HB ALA 42 3HB ALA 42 -2.570 -8.602 7.944 310 H ASP 43 H ASP 43 -1.547 -10.280 7.893 311 HA ASP 43 HA ASP 43 0.036 -12.331 9.281 312 1HB ASP 43 1HB ASP 43 -2.033 -13.100 8.129 313 2HB ASP 43 2HB ASP 43 -1.372 -12.511 6.608 314 H MET 44 H MET 44 0.028 -9.977 6.742 315 HA MET 44 HA MET 44 1.708 -8.995 5.581 316 1HB MET 44 1HB MET 44 3.703 -8.925 6.578 317 2HB MET 44 2HB MET 44 3.066 -10.076 7.744 318 1HG MET 44 1HG MET 44 3.935 -11.921 6.391 319 2HG MET 44 2HG MET 44 4.579 -10.761 5.231 320 1HE MET 44 1HE MET 44 6.298 -13.074 6.690 321 2HE MET 44 2HE MET 44 7.781 -12.179 7.025 322 3HE MET 44 3HE MET 44 6.955 -11.967 5.483 323 H SER 45 H SER 45 1.569 -12.497 5.652 324 HA SER 45 HA SER 45 2.999 -12.964 3.262 325 1HB SER 45 1HB SER 45 0.844 -14.633 4.573 326 2HB SER 45 2HB SER 45 1.929 -15.189 3.301 327 HG SER 45 HG SER 45 2.494 -14.569 5.982 328 H GLN 46 H GLN 46 -0.535 -12.978 3.837 329 HA GLN 46 HA GLN 46 -0.987 -12.877 0.978 330 1HB GLN 46 1HB GLN 46 -2.878 -13.077 3.307 331 2HB GLN 46 2HB GLN 46 -3.407 -12.972 1.634 332 1HG GLN 46 1HG GLN 46 -1.852 -15.166 2.959 333 2HG GLN 46 2HG GLN 46 -3.425 -15.250 2.178 334 1HE2 GLN 46 1HE2 GLN 46 -2.612 -13.666 -0.116 335 2HE2 GLN 46 2HE2 GLN 46 -1.591 -14.676 -1.079 336 H LEU 47 H LEU 47 -0.615 -10.644 3.485 337 HA LEU 47 HA LEU 47 -2.397 -8.610 2.782 338 1HB LEU 47 1HB LEU 47 -0.607 -8.884 4.734 339 2HB LEU 47 2HB LEU 47 0.399 -7.959 3.642 340 HG LEU 47 HG LEU 47 -2.216 -7.067 4.859 341 1HD1 LEU 47 1HD1 LEU 47 0.627 -6.143 5.266 342 2HD1 LEU 47 2HD1 LEU 47 -0.340 -7.072 6.412 343 3HD1 LEU 47 3HD1 LEU 47 -0.805 -5.421 5.998 344 1HD2 LEU 47 1HD2 LEU 47 -0.379 -5.636 2.939 345 2HD2 LEU 47 2HD2 LEU 47 -1.723 -4.893 3.805 346 3HD2 LEU 47 3HD2 LEU 47 -2.031 -6.160 2.620 347 H GLY 48 H GLY 48 0.836 -9.367 1.560 348 1HA GLY 48 1HA GLY 48 0.819 -7.172 -0.303 349 2HA GLY 48 2HA GLY 48 1.992 -8.485 -0.241 350 H CYS 49 H CYS 49 -1.503 -8.766 -0.492 351 HA CYS 49 HA CYS 49 -1.314 -9.621 -3.253 352 1HB CYS 49 1HB CYS 49 -2.785 -11.319 -1.286 353 2HB CYS 49 2HB CYS 49 -2.269 -11.741 -2.913 354 H LEU 50 H LEU 50 -3.820 -10.139 -0.833 355 HA LEU 50 HA LEU 50 -5.962 -9.280 -2.357 356 1HB LEU 50 1HB LEU 50 -5.463 -9.514 0.586 357 2HB LEU 50 2HB LEU 50 -6.954 -8.768 0.038 358 HG LEU 50 HG LEU 50 -7.267 -11.122 0.530 359 1HD1 LEU 50 1HD1 LEU 50 -8.480 -9.891 -1.323 360 2HD1 LEU 50 2HD1 LEU 50 -8.491 -11.648 -1.418 361 3HD1 LEU 50 3HD1 LEU 50 -7.404 -10.719 -2.446 362 1HD2 LEU 50 1HD2 LEU 50 -4.852 -11.683 -0.131 363 2HD2 LEU 50 2HD2 LEU 50 -5.466 -11.776 -1.781 364 3HD2 LEU 50 3HD2 LEU 50 -6.106 -12.851 -0.541 365 H LYS 51 H LYS 51 -4.016 -7.473 -0.017 366 HA LYS 51 HA LYS 51 -5.321 -4.988 -0.636 367 1HB LYS 51 1HB LYS 51 -3.061 -5.831 1.136 368 2HB LYS 51 2HB LYS 51 -3.227 -4.131 0.721 369 1HG LYS 51 1HG LYS 51 -4.298 -4.522 2.821 370 2HG LYS 51 2HG LYS 51 -5.537 -4.187 1.613 371 1HD LYS 51 1HD LYS 51 -4.829 -7.028 2.009 372 2HD LYS 51 2HD LYS 51 -5.667 -6.239 3.346 373 1HE LYS 51 1HE LYS 51 -6.601 -6.405 0.483 374 2HE LYS 51 2HE LYS 51 -7.269 -7.284 1.856 375 1HZ LYS 51 1HZ LYS 51 -7.319 -4.341 1.456 376 2HZ LYS 51 2HZ LYS 51 -7.882 -5.134 2.840 377 3HZ LYS 51 3HZ LYS 51 -8.640 -5.394 1.351 378 H ALA 52 H ALA 52 -2.478 -6.763 -1.666 379 HA ALA 52 HA ALA 52 -1.334 -4.459 -3.035 380 1HB ALA 52 1HB ALA 52 -0.470 -7.340 -3.201 381 2HB ALA 52 2HB ALA 52 0.086 -6.205 -1.971 382 3HB ALA 52 3HB ALA 52 0.457 -5.915 -3.669 383 H CYS 53 H CYS 53 -3.931 -6.232 -3.652 384 HA CYS 53 HA CYS 53 -3.434 -6.801 -6.439 385 1HB CYS 53 1HB CYS 53 -4.949 -8.163 -4.847 386 2HB CYS 53 2HB CYS 53 -6.137 -6.891 -5.120 387 H VAL 54 H VAL 54 -4.912 -4.340 -4.462 388 HA VAL 54 HA VAL 54 -6.378 -3.055 -6.542 389 HB VAL 54 HB VAL 54 -6.782 -2.726 -4.079 390 1HG1 VAL 54 1HG1 VAL 54 -5.439 -1.159 -2.847 391 2HG1 VAL 54 2HG1 VAL 54 -4.419 -0.862 -4.255 392 3HG1 VAL 54 3HG1 VAL 54 -4.395 -2.437 -3.466 393 1HG2 VAL 54 1HG2 VAL 54 -7.784 -1.261 -5.745 394 2HG2 VAL 54 2HG2 VAL 54 -6.347 -0.242 -5.735 395 3HG2 VAL 54 3HG2 VAL 54 -7.359 -0.355 -4.296 396 H MET 55 H MET 55 -3.089 -3.179 -5.655 397 HA MET 55 HA MET 55 -2.185 -0.699 -6.661 398 1HB MET 55 1HB MET 55 -0.695 -3.324 -6.462 399 2HB MET 55 2HB MET 55 0.033 -1.735 -6.646 400 1HG MET 55 1HG MET 55 -0.836 -1.069 -4.474 401 2HG MET 55 2HG MET 55 -1.601 -2.647 -4.289 402 1HE MET 55 1HE MET 55 0.316 -1.458 -2.051 403 2HE MET 55 2HE MET 55 1.261 -2.897 -1.667 404 3HE MET 55 3HE MET 55 -0.472 -3.032 -1.968 405 H LYS 56 H LYS 56 -2.428 -3.935 -8.096 406 HA LYS 56 HA LYS 56 -1.301 -3.332 -10.591 407 1HB LYS 56 1HB LYS 56 -3.452 -5.372 -9.995 408 2HB LYS 56 2HB LYS 56 -2.371 -5.370 -11.381 409 1HG LYS 56 1HG LYS 56 -0.460 -5.681 -9.872 410 2HG LYS 56 2HG LYS 56 -1.568 -5.729 -8.501 411 1HD LYS 56 1HD LYS 56 -1.689 -7.629 -10.840 412 2HD LYS 56 2HD LYS 56 -0.847 -7.976 -9.329 413 1HE LYS 56 1HE LYS 56 -2.934 -7.756 -8.098 414 2HE LYS 56 2HE LYS 56 -3.786 -7.344 -9.585 415 1HZ LYS 56 1HZ LYS 56 -4.085 -9.672 -8.958 416 2HZ LYS 56 2HZ LYS 56 -2.417 -9.928 -9.069 417 3HZ LYS 56 3HZ LYS 56 -3.304 -9.529 -10.452 418 H ARG 57 H ARG 57 -4.288 -2.392 -9.249 419 HA ARG 57 HA ARG 57 -5.781 -2.177 -11.673 420 1HB ARG 57 1HB ARG 57 -6.242 -0.715 -9.070 421 2HB ARG 57 2HB ARG 57 -7.413 -0.980 -10.352 422 1HG ARG 57 1HG ARG 57 -6.142 -3.183 -8.743 423 2HG ARG 57 2HG ARG 57 -7.708 -2.457 -8.381 424 1HD ARG 57 1HD ARG 57 -8.147 -4.444 -9.598 425 2HD ARG 57 2HD ARG 57 -8.423 -3.103 -10.707 426 HE ARG 57 HE ARG 57 -5.770 -4.209 -10.844 427 1HH1 ARG 57 1HH1 ARG 57 -9.044 -4.447 -12.017 428 2HH1 ARG 57 2HH1 ARG 57 -8.595 -5.239 -13.490 429 1HH2 ARG 57 1HH2 ARG 57 -5.171 -5.249 -12.782 430 2HH2 ARG 57 2HH2 ARG 57 -6.393 -5.691 -13.926 431 H ILE 58 H ILE 58 -4.026 0.175 -9.657 432 HA ILE 58 HA ILE 58 -4.459 2.245 -11.663 433 HB ILE 58 HB ILE 58 -3.337 3.751 -10.056 434 1HG1 ILE 58 1HG1 ILE 58 -3.308 1.348 -8.216 435 2HG1 ILE 58 2HG1 ILE 58 -1.885 1.988 -9.031 436 1HG2 ILE 58 1HG2 ILE 58 -5.582 2.112 -8.885 437 2HG2 ILE 58 2HG2 ILE 58 -5.757 3.462 -10.006 438 3HG2 ILE 58 3HG2 ILE 58 -5.122 3.740 -8.385 439 1HD1 ILE 58 1HD1 ILE 58 -2.161 4.103 -7.837 440 2HD1 ILE 58 2HD1 ILE 58 -1.985 2.741 -6.731 441 3HD1 ILE 58 3HD1 ILE 58 -3.575 3.447 -7.013 442 H GLU 59 H GLU 59 -2.784 0.005 -12.374 443 HA GLU 59 HA GLU 59 -0.782 -0.475 -13.348 444 1HB GLU 59 1HB GLU 59 -0.781 2.531 -13.662 445 2HB GLU 59 2HB GLU 59 0.372 1.460 -14.449 446 1HG GLU 59 1HG GLU 59 -2.613 1.379 -14.826 447 2HG GLU 59 2HG GLU 59 -1.461 2.131 -15.930 448 H MET 60 H MET 60 -0.835 -0.038 -10.469 449 HA MET 60 HA MET 60 1.751 1.161 -9.876 450 1HB MET 60 1HB MET 60 -0.094 1.690 -8.387 451 2HB MET 60 2HB MET 60 -0.378 -0.017 -8.082 452 1HG MET 60 1HG MET 60 0.787 1.118 -6.242 453 2HG MET 60 2HG MET 60 1.710 -0.219 -6.927 454 1HE MET 60 1HE MET 60 4.510 2.285 -5.876 455 2HE MET 60 2HE MET 60 3.983 0.603 -5.834 456 3HE MET 60 3HE MET 60 3.024 1.849 -5.033 457 H LEU 61 H LEU 61 0.501 -1.870 -10.664 458 HA LEU 61 HA LEU 61 3.027 -3.134 -10.065 459 1HB LEU 61 1HB LEU 61 1.908 -3.491 -7.968 460 2HB LEU 61 2HB LEU 61 0.459 -4.055 -8.777 461 HG LEU 61 HG LEU 61 1.698 -6.040 -9.576 462 1HD1 LEU 61 1HD1 LEU 61 3.933 -4.941 -7.877 463 2HD1 LEU 61 2HD1 LEU 61 3.939 -5.115 -9.632 464 3HD1 LEU 61 3HD1 LEU 61 3.894 -6.547 -8.605 465 1HD2 LEU 61 1HD2 LEU 61 0.402 -6.134 -7.505 466 2HD2 LEU 61 2HD2 LEU 61 1.820 -5.615 -6.591 467 3HD2 LEU 61 3HD2 LEU 61 1.826 -7.172 -7.420 468 H LYS 62 H LYS 62 3.510 -4.012 -11.955 469 HA LYS 62 HA LYS 62 1.368 -5.273 -13.530 470 1HB LYS 62 1HB LYS 62 4.019 -4.078 -14.336 471 2HB LYS 62 2HB LYS 62 3.068 -5.082 -15.422 472 1HG LYS 62 1HG LYS 62 1.645 -2.829 -14.159 473 2HG LYS 62 2HG LYS 62 2.895 -2.409 -15.329 474 1HD LYS 62 1HD LYS 62 0.846 -2.581 -16.527 475 2HD LYS 62 2HD LYS 62 1.801 -4.008 -16.927 476 1HE LYS 62 1HE LYS 62 0.521 -5.319 -15.307 477 2HE LYS 62 2HE LYS 62 -0.430 -3.891 -14.898 478 1HZ LYS 62 1HZ LYS 62 -1.591 -5.328 -16.460 479 2HZ LYS 62 2HZ LYS 62 -0.325 -5.181 -17.572 480 3HZ LYS 62 3HZ LYS 62 -1.253 -3.826 -17.163 481 H GLY 63 H GLY 63 1.540 -7.167 -12.139 482 1HA GLY 63 1HA GLY 63 2.128 -9.400 -12.011 483 2HA GLY 63 2HA GLY 63 3.333 -9.116 -13.259 484 H THR 64 H THR 64 5.261 -7.810 -12.506 485 HA THR 64 HA THR 64 5.925 -8.219 -9.700 486 HB THR 64 HB THR 64 8.150 -9.168 -10.310 487 HG1 THR 64 1HG THR 64 8.659 -9.453 -12.352 488 1HG2 THR 64 1HG2 THR 64 5.766 -10.795 -11.205 489 2HG2 THR 64 2HG2 THR 64 6.352 -10.641 -9.549 490 3HG2 THR 64 3HG2 THR 64 7.347 -11.443 -10.765 491 H GLU 65 H GLU 65 5.466 -6.010 -11.764 492 HA GLU 65 HA GLU 65 8.037 -4.616 -11.558 493 1HB GLU 65 1HB GLU 65 5.583 -3.922 -13.176 494 2HB GLU 65 2HB GLU 65 7.132 -3.096 -13.242 495 1HG GLU 65 1HG GLU 65 8.193 -5.085 -14.127 496 2HG GLU 65 2HG GLU 65 6.678 -5.976 -13.990 497 H LEU 66 H LEU 66 8.225 -3.439 -9.764 498 HA LEU 66 HA LEU 66 5.913 -2.310 -8.449 499 1HB LEU 66 1HB LEU 66 8.827 -2.505 -7.828 500 2HB LEU 66 2HB LEU 66 7.857 -1.316 -6.981 501 HG LEU 66 HG LEU 66 7.295 -4.283 -7.006 502 1HD1 LEU 66 1HD1 LEU 66 8.534 -2.558 -4.867 503 2HD1 LEU 66 2HD1 LEU 66 9.373 -3.770 -5.834 504 3HD1 LEU 66 3HD1 LEU 66 8.109 -4.264 -4.708 505 1HD2 LEU 66 1HD2 LEU 66 5.745 -3.741 -5.183 506 2HD2 LEU 66 2HD2 LEU 66 5.293 -2.937 -6.687 507 3HD2 LEU 66 3HD2 LEU 66 6.091 -2.027 -5.405 508 H TYR 67 H TYR 67 5.059 -0.451 -9.066 509 HA TYR 67 HA TYR 67 6.726 1.556 -10.394 510 1HB TYR 67 1HB TYR 67 3.731 1.254 -10.114 511 2HB TYR 67 2HB TYR 67 4.492 2.670 -10.830 512 HD1 TYR 67 1HD TYR 67 4.086 -0.995 -11.197 513 HD2 TYR 67 2HD TYR 67 5.204 2.651 -13.081 514 HE1 TYR 67 1HE TYR 67 4.149 -2.143 -13.370 515 HE2 TYR 67 2HE TYR 67 5.270 1.513 -15.259 516 HH TYR 67 HH TYR 67 3.986 -1.599 -15.746 517 H VAL 68 H VAL 68 5.327 3.877 -9.752 518 HA VAL 68 HA VAL 68 4.867 4.217 -6.992 519 HB VAL 68 HB VAL 68 7.343 3.764 -6.965 520 1HG1 VAL 68 1HG1 VAL 68 8.849 5.550 -7.664 521 2HG1 VAL 68 2HG1 VAL 68 7.483 6.469 -8.292 522 3HG1 VAL 68 3HG1 VAL 68 7.925 4.929 -9.031 523 1HG2 VAL 68 1HG2 VAL 68 6.406 6.450 -5.957 524 2HG2 VAL 68 2HG2 VAL 68 7.845 5.595 -5.402 525 3HG2 VAL 68 3HG2 VAL 68 6.247 4.904 -5.123 526 H GLU 69 H GLU 69 5.288 5.415 -10.153 527 HA GLU 69 HA GLU 69 5.153 8.181 -9.737 528 1HB GLU 69 1HB GLU 69 4.145 6.534 -12.059 529 2HB GLU 69 2HB GLU 69 4.277 8.287 -12.065 530 1HG GLU 69 1HG GLU 69 6.695 8.097 -11.713 531 2HG GLU 69 2HG GLU 69 6.549 6.340 -11.749 532 HA PRO 70 HA PRO 70 0.306 7.767 -10.235 533 1HB PRO 70 1HB PRO 70 -0.685 5.366 -9.311 534 2HB PRO 70 2HB PRO 70 -0.443 5.765 -11.015 535 1HG PRO 70 1HG PRO 70 1.285 4.173 -9.171 536 2HG PRO 70 2HG PRO 70 0.908 3.892 -10.880 537 1HD PRO 70 1HD PRO 70 3.253 4.947 -10.096 538 2HD PRO 70 2HD PRO 70 2.464 5.438 -11.608 539 H VAL 71 H VAL 71 2.278 6.460 -7.711 540 HA VAL 71 HA VAL 71 0.367 6.826 -5.599 541 HB VAL 71 HB VAL 71 3.349 6.650 -5.222 542 1HG1 VAL 71 1HG1 VAL 71 2.781 5.675 -3.100 543 2HG1 VAL 71 2HG1 VAL 71 1.070 5.648 -3.523 544 3HG1 VAL 71 3HG1 VAL 71 1.895 7.188 -3.283 545 1HG2 VAL 71 1HG2 VAL 71 3.110 4.212 -5.141 546 2HG2 VAL 71 2HG2 VAL 71 2.717 4.854 -6.737 547 3HG2 VAL 71 3HG2 VAL 71 1.425 4.364 -5.640 548 H TYR 72 H TYR 72 3.270 8.602 -6.659 549 HA TYR 72 HA TYR 72 3.239 10.611 -4.759 550 1HB TYR 72 1HB TYR 72 3.964 10.875 -7.680 551 2HB TYR 72 2HB TYR 72 4.405 12.014 -6.421 552 HD1 TYR 72 1HD TYR 72 5.963 9.947 -8.433 553 HD2 TYR 72 2HD TYR 72 5.257 10.244 -4.248 554 HE1 TYR 72 1HE TYR 72 8.010 8.658 -8.003 555 HE2 TYR 72 2HE TYR 72 7.304 8.956 -3.807 556 HH TYR 72 HH TYR 72 9.649 8.367 -6.152 557 H LYS 73 H LYS 73 1.044 10.021 -7.334 558 HA LYS 73 HA LYS 73 0.002 12.692 -7.476 559 1HB LYS 73 1HB LYS 73 -0.587 10.083 -8.755 560 2HB LYS 73 2HB LYS 73 -1.915 11.235 -8.665 561 1HG LYS 73 1HG LYS 73 0.786 11.909 -9.802 562 2HG LYS 73 2HG LYS 73 -0.567 11.317 -10.772 563 1HD LYS 73 1HD LYS 73 -1.802 13.244 -10.461 564 2HD LYS 73 2HD LYS 73 -0.959 13.667 -8.970 565 1HE LYS 73 1HE LYS 73 1.016 14.282 -10.215 566 2HE LYS 73 2HE LYS 73 0.270 13.750 -11.722 567 1HZ LYS 73 1HZ LYS 73 0.168 16.162 -11.434 568 2HZ LYS 73 2HZ LYS 73 -0.725 15.967 -10.011 569 3HZ LYS 73 3HZ LYS 73 -1.380 15.481 -11.494 570 H MET 74 H MET 74 -1.055 9.645 -5.957 571 HA MET 74 HA MET 74 -3.465 10.837 -4.957 572 1HB MET 74 1HB MET 74 -3.681 8.700 -3.669 573 2HB MET 74 2HB MET 74 -3.545 8.493 -5.409 574 1HG MET 74 1HG MET 74 -1.139 8.004 -5.104 575 2HG MET 74 2HG MET 74 -1.391 8.057 -3.360 576 1HE MET 74 1HE MET 74 -3.262 6.509 -2.173 577 2HE MET 74 2HE MET 74 -3.996 5.101 -2.939 578 3HE MET 74 3HE MET 74 -4.473 6.723 -3.438 579 H ILE 75 H ILE 75 -0.254 10.131 -3.698 580 HA ILE 75 HA ILE 75 -0.639 10.537 -0.994 581 HB ILE 75 HB ILE 75 1.727 11.415 -2.664 582 1HG1 ILE 75 1HG1 ILE 75 1.412 8.913 -0.999 583 2HG1 ILE 75 2HG1 ILE 75 1.086 8.965 -2.728 584 1HG2 ILE 75 1HG2 ILE 75 1.667 12.521 -0.477 585 2HG2 ILE 75 2HG2 ILE 75 3.005 11.380 -0.601 586 3HG2 ILE 75 3HG2 ILE 75 1.558 10.945 0.306 587 1HD1 ILE 75 1HD1 ILE 75 3.728 9.585 -1.426 588 2HD1 ILE 75 2HD1 ILE 75 3.396 9.590 -3.156 589 3HD1 ILE 75 3HD1 ILE 75 3.305 8.083 -2.246 590 H GLU 76 H GLU 76 -0.732 12.789 -3.609 591 HA GLU 76 HA GLU 76 -0.254 15.193 -2.234 592 1HB GLU 76 1HB GLU 76 -1.919 14.623 -4.687 593 2HB GLU 76 2HB GLU 76 -1.566 16.245 -4.105 594 1HG GLU 76 1HG GLU 76 0.813 15.857 -4.417 595 2HG GLU 76 2HG GLU 76 0.489 14.212 -4.954 596 H VAL 77 H VAL 77 -3.426 13.810 -3.165 597 HA VAL 77 HA VAL 77 -4.785 15.634 -1.367 598 HB VAL 77 HB VAL 77 -5.996 13.382 -2.971 599 1HG1 VAL 77 1HG1 VAL 77 -7.430 14.234 -1.206 600 2HG1 VAL 77 2HG1 VAL 77 -8.048 14.717 -2.786 601 3HG1 VAL 77 3HG1 VAL 77 -7.189 15.883 -1.783 602 1HG2 VAL 77 1HG2 VAL 77 -4.769 14.864 -4.461 603 2HG2 VAL 77 2HG2 VAL 77 -5.579 16.264 -3.761 604 3HG2 VAL 77 3HG2 VAL 77 -6.507 15.075 -4.674 605 H VAL 78 H VAL 78 -4.000 12.227 -1.528 606 HA VAL 78 HA VAL 78 -5.603 11.241 0.517 607 HB VAL 78 HB VAL 78 -2.954 10.344 -0.608 608 1HG1 VAL 78 1HG1 VAL 78 -4.558 8.940 1.535 609 2HG1 VAL 78 2HG1 VAL 78 -2.938 9.610 1.715 610 3HG1 VAL 78 3HG1 VAL 78 -3.210 8.237 0.645 611 1HG2 VAL 78 1HG2 VAL 78 -4.344 8.497 -1.467 612 2HG2 VAL 78 2HG2 VAL 78 -4.875 10.079 -2.035 613 3HG2 VAL 78 3HG2 VAL 78 -5.763 9.260 -0.751 614 H HIS 79 H HIS 79 -3.106 13.474 0.738 615 HA HIS 79 HA HIS 79 -2.997 13.143 3.647 616 1HB HIS 79 1HB HIS 79 -0.602 13.741 1.894 617 2HB HIS 79 2HB HIS 79 -0.607 13.741 3.652 618 HD1 HIS 79 1HD HIS 79 -0.382 11.515 4.831 619 HD2 HIS 79 2HD HIS 79 -0.865 11.142 0.721 620 HE1 HIS 79 1HE HIS 79 0.067 9.094 4.319 621 HE2 HIS 79 2HE HIS 79 -0.178 8.902 1.818 622 H ALA 80 H ALA 80 -4.747 14.828 2.531 623 HA ALA 80 HA ALA 80 -3.784 17.433 2.001 624 1HB ALA 80 1HB ALA 80 -5.995 16.655 1.286 625 2HB ALA 80 2HB ALA 80 -6.099 18.142 2.228 626 3HB ALA 80 3HB ALA 80 -6.515 16.598 2.969 627 H GLY 81 H GLY 81 -3.357 19.131 3.297 628 1HA GLY 81 1HA GLY 81 -4.140 20.096 5.570 629 2HA GLY 81 2HA GLY 81 -3.407 18.625 6.193 630 H ASN 82 H ASN 82 -1.102 18.332 4.974 631 HA ASN 82 HA ASN 82 0.322 20.893 5.247 632 1HB ASN 82 1HB ASN 82 1.148 18.202 6.350 633 2HB ASN 82 2HB ASN 82 2.208 19.606 6.280 634 1HD2 ASN 82 1HD2 ASN 82 1.834 21.342 7.643 635 2HD2 ASN 82 2HD2 ASN 82 0.802 21.224 9.022 636 H ALA 83 H ALA 83 1.624 21.380 3.610 637 HA ALA 83 HA ALA 83 1.727 19.840 1.267 638 1HB ALA 83 1HB ALA 83 3.378 21.463 0.485 639 2HB ALA 83 2HB ALA 83 3.553 22.083 2.127 640 3HB ALA 83 3HB ALA 83 2.020 22.265 1.275 641 H ASP 84 H ASP 84 3.766 19.899 4.091 642 HA ASP 84 HA ASP 84 5.882 18.402 2.804 643 1HB ASP 84 1HB ASP 84 5.540 19.001 5.746 644 2HB ASP 84 2HB ASP 84 6.998 18.425 4.937 645 H ASP 85 H ASP 85 3.014 17.738 4.658 646 HA ASP 85 HA ASP 85 3.667 15.188 5.633 647 1HB ASP 85 1HB ASP 85 1.610 16.428 6.282 648 2HB ASP 85 2HB ASP 85 0.962 16.163 4.664 649 H ILE 86 H ILE 86 2.692 16.394 2.541 650 HA ILE 86 HA ILE 86 2.299 13.854 1.278 651 HB ILE 86 HB ILE 86 2.805 16.576 0.053 652 1HG1 ILE 86 1HG1 ILE 86 0.154 15.185 0.456 653 2HG1 ILE 86 2HG1 ILE 86 0.797 16.383 1.575 654 1HG2 ILE 86 1HG2 ILE 86 1.586 14.108 -1.181 655 2HG2 ILE 86 2HG2 ILE 86 3.223 14.692 -1.477 656 3HG2 ILE 86 3HG2 ILE 86 1.837 15.664 -1.971 657 1HD1 ILE 86 1HD1 ILE 86 -0.805 17.377 0.057 658 2HD1 ILE 86 2HD1 ILE 86 0.148 16.841 -1.327 659 3HD1 ILE 86 3HD1 ILE 86 0.806 18.043 -0.216 660 H GLN 87 H GLN 87 4.922 16.054 1.847 661 HA GLN 87 HA GLN 87 6.721 14.875 -0.046 662 1HB GLN 87 1HB GLN 87 7.713 16.853 0.246 663 2HB GLN 87 2HB GLN 87 6.647 17.210 1.594 664 1HG GLN 87 1HG GLN 87 8.162 16.222 3.142 665 2HG GLN 87 2HG GLN 87 9.197 15.642 1.838 666 1HE2 GLN 87 1HE2 GLN 87 10.985 16.738 2.627 667 2HE2 GLN 87 2HE2 GLN 87 11.142 18.454 2.514 668 H LEU 88 H LEU 88 5.872 14.340 3.269 669 HA LEU 88 HA LEU 88 8.225 12.990 4.079 670 1HB LEU 88 1HB LEU 88 6.637 13.889 5.696 671 2HB LEU 88 2HB LEU 88 5.396 12.793 5.120 672 HG LEU 88 HG LEU 88 6.829 10.884 5.880 673 1HD1 LEU 88 1HD1 LEU 88 8.419 13.078 7.202 674 2HD1 LEU 88 2HD1 LEU 88 8.974 12.053 5.878 675 3HD1 LEU 88 3HD1 LEU 88 8.627 11.344 7.454 676 1HD2 LEU 88 1HD2 LEU 88 6.276 11.148 8.240 677 2HD2 LEU 88 2HD2 LEU 88 4.953 11.699 7.212 678 3HD2 LEU 88 3HD2 LEU 88 6.011 12.875 7.991 679 H VAL 89 H VAL 89 4.993 11.666 3.372 680 HA VAL 89 HA VAL 89 5.819 8.992 3.203 681 HB VAL 89 HB VAL 89 3.575 8.925 3.352 682 1HG1 VAL 89 1HG1 VAL 89 3.455 11.499 1.803 683 2HG1 VAL 89 2HG1 VAL 89 3.287 11.291 3.545 684 3HG1 VAL 89 3HG1 VAL 89 2.051 10.658 2.461 685 1HG2 VAL 89 1HG2 VAL 89 3.683 9.349 0.370 686 2HG2 VAL 89 2HG2 VAL 89 2.393 8.552 1.271 687 3HG2 VAL 89 3HG2 VAL 89 3.998 7.823 1.196 688 H LYS 90 H LYS 90 5.890 11.582 0.886 689 HA LYS 90 HA LYS 90 6.052 10.326 -1.536 690 1HB LYS 90 1HB LYS 90 6.522 12.861 -0.595 691 2HB LYS 90 2HB LYS 90 8.112 12.381 -1.163 692 1HG LYS 90 1HG LYS 90 7.040 13.498 -2.949 693 2HG LYS 90 2HG LYS 90 7.046 11.782 -3.343 694 1HD LYS 90 1HD LYS 90 4.763 11.548 -2.795 695 2HD LYS 90 2HD LYS 90 4.703 13.142 -2.057 696 1HE LYS 90 1HE LYS 90 5.290 12.667 -4.964 697 2HE LYS 90 2HE LYS 90 3.686 13.002 -4.328 698 1HZ LYS 90 1HZ LYS 90 4.505 15.118 -3.483 699 2HZ LYS 90 2HZ LYS 90 4.733 15.009 -5.155 700 3HZ LYS 90 3HZ LYS 90 6.043 14.791 -4.110 701 H GLY 91 H GLY 91 8.685 10.813 0.802 702 1HA GLY 91 1HA GLY 91 10.574 9.342 -0.815 703 2HA GLY 91 2HA GLY 91 10.853 9.987 0.797 704 H ILE 92 H ILE 92 8.405 8.639 1.822 705 HA ILE 92 HA ILE 92 9.607 6.274 2.758 706 HB ILE 92 HB ILE 92 6.667 6.977 2.736 707 1HG1 ILE 92 1HG1 ILE 92 7.941 8.709 3.863 708 2HG1 ILE 92 2HG1 ILE 92 7.077 7.750 5.059 709 1HG2 ILE 92 1HG2 ILE 92 7.010 4.620 3.153 710 2HG2 ILE 92 2HG2 ILE 92 6.514 5.426 4.642 711 3HG2 ILE 92 3HG2 ILE 92 8.205 4.986 4.398 712 1HD1 ILE 92 1HD1 ILE 92 10.000 7.524 4.376 713 2HD1 ILE 92 2HD1 ILE 92 9.141 6.529 5.553 714 3HD1 ILE 92 3HD1 ILE 92 9.313 8.263 5.823 715 H ALA 93 H ALA 93 7.540 6.949 0.024 716 HA ALA 93 HA ALA 93 6.705 4.330 -0.561 717 1HB ALA 93 1HB ALA 93 7.174 6.617 -2.472 718 2HB ALA 93 2HB ALA 93 5.688 6.312 -1.572 719 3HB ALA 93 3HB ALA 93 6.225 5.167 -2.801 720 H ASN 94 H ASN 94 9.741 5.908 -0.961 721 HA ASN 94 HA ASN 94 10.722 4.062 -2.961 722 1HB ASN 94 1HB ASN 94 11.506 6.370 -3.002 723 2HB ASN 94 2HB ASN 94 12.137 6.210 -1.365 724 1HD2 ASN 94 1HD2 ASN 94 14.228 6.689 -1.967 725 2HD2 ASN 94 2HD2 ASN 94 15.208 5.602 -2.886 726 H GLU 95 H GLU 95 11.008 4.544 0.515 727 HA GLU 95 HA GLU 95 13.127 2.770 1.001 728 1HB GLU 95 1HB GLU 95 10.813 3.432 2.831 729 2HB GLU 95 2HB GLU 95 12.354 2.742 3.318 730 1HG GLU 95 1HG GLU 95 11.921 5.478 2.141 731 2HG GLU 95 2HG GLU 95 12.273 5.105 3.827 732 H CYS 96 H CYS 96 9.802 2.205 0.274 733 HA CYS 96 HA CYS 96 9.816 -0.517 1.271 734 1HB CYS 96 1HB CYS 96 7.718 0.892 -0.385 735 2HB CYS 96 2HB CYS 96 7.515 -0.597 0.533 736 H ILE 97 H ILE 97 10.184 1.158 -1.781 737 HA ILE 97 HA ILE 97 9.849 -1.148 -3.432 738 HB ILE 97 HB ILE 97 11.184 1.490 -4.050 739 1HG1 ILE 97 1HG1 ILE 97 8.423 0.542 -4.821 740 2HG1 ILE 97 2HG1 ILE 97 8.738 1.524 -3.395 741 1HG2 ILE 97 1HG2 ILE 97 10.851 0.879 -6.405 742 2HG2 ILE 97 2HG2 ILE 97 10.258 -0.704 -5.901 743 3HG2 ILE 97 3HG2 ILE 97 11.931 -0.244 -5.579 744 1HD1 ILE 97 1HD1 ILE 97 7.966 2.871 -5.267 745 2HD1 ILE 97 2HD1 ILE 97 9.330 2.314 -6.238 746 3HD1 ILE 97 3HD1 ILE 97 9.612 3.302 -4.803 747 H GLU 98 H GLU 98 12.592 0.447 -1.921 748 HA GLU 98 HA GLU 98 14.608 -0.947 -3.349 749 1HB GLU 98 1HB GLU 98 14.711 0.468 -0.684 750 2HB GLU 98 2HB GLU 98 16.117 -0.116 -1.562 751 1HG GLU 98 1HG GLU 98 15.605 1.384 -3.407 752 2HG GLU 98 2HG GLU 98 14.171 1.954 -2.556 753 H ASN 99 H ASN 99 12.526 -1.954 -0.825 754 HA ASN 99 HA ASN 99 14.376 -4.128 -0.122 755 1HB ASN 99 1HB ASN 99 13.495 -4.182 1.988 756 2HB ASN 99 2HB ASN 99 13.264 -2.482 1.618 757 1HD2 ASN 99 1HD2 ASN 99 11.208 -1.697 1.269 758 2HD2 ASN 99 2HD2 ASN 99 9.789 -2.603 1.656 759 H ALA 100 H ALA 100 11.522 -3.442 -1.834 760 HA ALA 100 HA ALA 100 10.560 -6.200 -1.609 761 1HB ALA 100 1HB ALA 100 9.270 -3.800 -2.903 762 2HB ALA 100 2HB ALA 100 8.897 -4.449 -1.305 763 3HB ALA 100 3HB ALA 100 8.547 -5.401 -2.747 764 H LYS 101 H LYS 101 12.326 -4.156 -3.711 765 HA LYS 101 HA LYS 101 11.710 -5.367 -6.192 766 1HB LYS 101 1HB LYS 101 13.207 -3.915 -7.074 767 2HB LYS 101 2HB LYS 101 13.078 -3.161 -5.492 768 1HG LYS 101 1HG LYS 101 15.171 -5.164 -6.266 769 2HG LYS 101 2HG LYS 101 15.401 -3.416 -6.287 770 1HD LYS 101 1HD LYS 101 15.820 -3.383 -4.098 771 2HD LYS 101 2HD LYS 101 14.342 -4.284 -3.748 772 1HE LYS 101 1HE LYS 101 15.479 -6.381 -4.178 773 2HE LYS 101 2HE LYS 101 16.943 -5.519 -4.650 774 1HZ LYS 101 1HZ LYS 101 17.137 -4.670 -2.404 775 2HZ LYS 101 2HZ LYS 101 17.073 -6.360 -2.380 776 3HZ LYS 101 3HZ LYS 101 15.710 -5.458 -1.946 777 H GLY 102 H GLY 102 13.731 -6.343 -7.472 778 1HA GLY 102 1HA GLY 102 15.124 -8.142 -7.777 779 2HA GLY 102 2HA GLY 102 15.514 -8.025 -6.069 780 H GLU 103 H GLU 103 12.223 -8.325 -6.344 781 HA GLU 103 HA GLU 103 12.361 -11.122 -5.564 782 1HB GLU 103 1HB GLU 103 10.215 -9.023 -5.457 783 2HB GLU 103 2HB GLU 103 9.841 -10.720 -5.182 784 1HG GLU 103 1HG GLU 103 11.787 -9.052 -3.603 785 2HG GLU 103 2HG GLU 103 10.170 -9.537 -3.089 786 H THR 104 H THR 104 10.725 -12.654 -6.441 787 HA THR 104 HA THR 104 10.267 -12.155 -9.311 788 HB THR 104 HB THR 104 12.003 -13.826 -9.039 789 HG1 THR 104 1HG THR 104 9.488 -14.541 -10.036 790 1HG2 THR 104 1HG2 THR 104 9.976 -15.368 -7.413 791 2HG2 THR 104 2HG2 THR 104 11.435 -14.600 -6.788 792 3HG2 THR 104 3HG2 THR 104 11.562 -15.956 -7.908 793 H ASP 105 H ASP 105 8.891 -13.166 -6.309 794 HA ASP 105 HA ASP 105 6.496 -14.175 -7.649 795 1HB ASP 105 1HB ASP 105 7.406 -15.535 -5.825 796 2HB ASP 105 2HB ASP 105 7.230 -14.177 -4.718 797 H GLU 106 H GLU 106 4.480 -13.271 -7.421 798 HA GLU 106 HA GLU 106 4.305 -10.494 -7.229 799 1HB GLU 106 1HB GLU 106 2.672 -11.840 -8.446 800 2HB GLU 106 2HB GLU 106 2.110 -12.549 -6.937 801 1HG GLU 106 1HG GLU 106 1.371 -10.331 -6.187 802 2HG GLU 106 2HG GLU 106 1.898 -9.653 -7.727 803 H CYS 107 H CYS 107 2.685 -12.753 -4.984 804 HA CYS 107 HA CYS 107 2.075 -10.920 -3.031 805 1HB CYS 107 1HB CYS 107 2.526 -13.877 -2.977 806 2HB CYS 107 2HB CYS 107 2.225 -13.011 -1.473 807 H ASN 108 H ASN 108 5.155 -12.382 -3.704 808 HA ASN 108 HA ASN 108 6.346 -11.801 -1.180 809 1HB ASN 108 1HB ASN 108 7.374 -12.581 -3.879 810 2HB ASN 108 2HB ASN 108 8.506 -11.943 -2.691 811 1HD2 ASN 108 1HD2 ASN 108 8.979 -13.130 -0.867 812 2HD2 ASN 108 2HD2 ASN 108 8.539 -14.793 -0.697 813 H ILE 109 H ILE 109 6.108 -10.117 -4.267 814 HA ILE 109 HA ILE 109 7.759 -7.917 -3.555 815 HB ILE 109 HB ILE 109 5.793 -8.464 -5.739 816 1HG1 ILE 109 1HG1 ILE 109 8.653 -7.476 -5.725 817 2HG1 ILE 109 2HG1 ILE 109 8.155 -9.148 -5.938 818 1HG2 ILE 109 1HG2 ILE 109 6.867 -5.721 -5.100 819 2HG2 ILE 109 2HG2 ILE 109 5.176 -6.221 -5.116 820 3HG2 ILE 109 3HG2 ILE 109 6.095 -6.172 -6.619 821 1HD1 ILE 109 1HD1 ILE 109 6.982 -8.512 -8.001 822 2HD1 ILE 109 2HD1 ILE 109 8.712 -8.177 -8.062 823 3HD1 ILE 109 3HD1 ILE 109 7.567 -6.861 -7.796 824 H GLY 110 H GLY 110 4.331 -8.628 -3.277 825 1HA GLY 110 1HA GLY 110 3.475 -6.038 -2.530 826 2HA GLY 110 2HA GLY 110 2.609 -7.536 -2.227 827 H ASN 111 H ASN 111 4.115 -8.920 -0.517 828 HA ASN 111 HA ASN 111 3.617 -7.776 1.954 829 1HB ASN 111 1HB ASN 111 3.951 -10.118 1.883 830 2HB ASN 111 2HB ASN 111 5.532 -9.950 1.133 831 1HD2 ASN 111 1HD2 ASN 111 4.621 -7.862 3.766 832 2HD2 ASN 111 2HD2 ASN 111 5.639 -8.594 4.954 833 H LYS 112 H LYS 112 6.822 -8.108 0.420 834 HA LYS 112 HA LYS 112 8.263 -6.662 2.299 835 1HB LYS 112 1HB LYS 112 8.759 -6.860 -0.675 836 2HB LYS 112 2HB LYS 112 9.936 -6.330 0.517 837 1HG LYS 112 1HG LYS 112 8.654 -9.047 0.591 838 2HG LYS 112 2HG LYS 112 10.146 -8.705 -0.286 839 1HD LYS 112 1HD LYS 112 11.052 -9.369 1.693 840 2HD LYS 112 2HD LYS 112 10.825 -7.658 2.061 841 1HE LYS 112 1HE LYS 112 8.695 -8.179 3.151 842 2HE LYS 112 2HE LYS 112 8.918 -9.886 2.774 843 1HZ LYS 112 1HZ LYS 112 10.893 -9.901 4.157 844 2HZ LYS 112 2HZ LYS 112 9.556 -9.374 5.050 845 3HZ LYS 112 3HZ LYS 112 10.700 -8.255 4.502 846 H TYR 113 H TYR 113 6.025 -5.535 -0.056 847 HA TYR 113 HA TYR 113 7.047 -2.821 -0.049 848 1HB TYR 113 1HB TYR 113 5.991 -3.926 -2.070 849 2HB TYR 113 2HB TYR 113 4.445 -3.778 -1.238 850 HD1 TYR 113 1HD TYR 113 3.152 -2.005 -1.957 851 HD2 TYR 113 2HD TYR 113 7.384 -1.569 -1.905 852 HE1 TYR 113 1HE TYR 113 2.918 0.294 -2.803 853 HE2 TYR 113 2HE TYR 113 7.169 0.725 -2.746 854 HH TYR 113 HH TYR 113 5.520 2.079 -4.011 855 H THR 114 H THR 114 3.827 -4.187 0.682 856 HA THR 114 HA THR 114 2.817 -1.982 2.026 857 HB THR 114 HB THR 114 1.387 -3.824 1.304 858 HG1 THR 114 1HG THR 114 0.623 -2.516 3.018 859 1HG2 THR 114 1HG2 THR 114 2.955 -5.661 1.876 860 2HG2 THR 114 2HG2 THR 114 1.322 -5.938 2.478 861 3HG2 THR 114 3HG2 THR 114 2.588 -5.403 3.582 862 H ASP 115 H ASP 115 4.901 -4.537 3.156 863 HA ASP 115 HA ASP 115 4.595 -4.283 5.916 864 1HB ASP 115 1HB ASP 115 5.871 -6.096 4.814 865 2HB ASP 115 2HB ASP 115 7.126 -4.934 4.388 866 H CYS 116 H CYS 116 7.058 -2.796 3.829 867 HA CYS 116 HA CYS 116 8.223 -1.199 5.801 868 1HB CYS 116 1HB CYS 116 9.600 -1.267 3.993 869 2HB CYS 116 2HB CYS 116 8.265 -1.317 2.847 870 H TYR 117 H TYR 117 5.559 -0.540 3.571 871 HA TYR 117 HA TYR 117 5.290 2.196 4.001 872 1HB TYR 117 1HB TYR 117 3.957 0.313 2.517 873 2HB TYR 117 2HB TYR 117 2.745 0.760 3.713 874 HD1 TYR 117 1HD TYR 117 1.227 2.257 2.842 875 HD2 TYR 117 2HD TYR 117 5.327 2.673 1.792 876 HE1 TYR 117 1HE TYR 117 0.683 4.274 1.546 877 HE2 TYR 117 2HE TYR 117 4.795 4.691 0.491 878 HH TYR 117 HH TYR 117 2.810 5.672 -0.654 879 H ILE 118 H ILE 118 3.947 -0.519 5.831 880 HA ILE 118 HA ILE 118 2.495 1.177 7.644 881 HB ILE 118 HB ILE 118 3.202 -1.746 7.940 882 1HG1 ILE 118 1HG1 ILE 118 0.648 -0.505 6.893 883 2HG1 ILE 118 2HG1 ILE 118 1.905 -1.191 5.870 884 1HG2 ILE 118 1HG2 ILE 118 2.568 -0.698 10.045 885 2HG2 ILE 118 2HG2 ILE 118 1.315 -1.813 9.499 886 3HG2 ILE 118 3HG2 ILE 118 1.095 -0.074 9.304 887 1HD1 ILE 118 1HD1 ILE 118 1.555 -3.373 6.931 888 2HD1 ILE 118 2HD1 ILE 118 0.092 -2.758 6.160 889 3HD1 ILE 118 3HD1 ILE 118 0.268 -2.674 7.913 890 H GLU 119 H GLU 119 5.710 -0.041 7.426 891 HA GLU 119 HA GLU 119 6.360 0.019 10.187 892 1HB GLU 119 1HB GLU 119 7.628 -1.154 8.311 893 2HB GLU 119 2HB GLU 119 8.305 0.421 7.921 894 1HG GLU 119 1HG GLU 119 8.546 -0.881 10.622 895 2HG GLU 119 2HG GLU 119 9.748 -1.036 9.342 896 H LYS 120 H LYS 120 7.265 2.293 7.572 897 HA LYS 120 HA LYS 120 7.990 4.288 9.545 898 1HB LYS 120 1HB LYS 120 8.044 4.398 6.531 899 2HB LYS 120 2HB LYS 120 8.710 5.618 7.608 900 1HG LYS 120 1HG LYS 120 10.237 3.882 8.527 901 2HG LYS 120 2HG LYS 120 9.644 2.777 7.284 902 1HD LYS 120 1HD LYS 120 10.412 4.305 5.545 903 2HD LYS 120 2HD LYS 120 10.976 5.435 6.777 904 1HE LYS 120 1HE LYS 120 11.999 2.639 6.301 905 2HE LYS 120 2HE LYS 120 12.835 4.141 5.910 906 1HZ LYS 120 1HZ LYS 120 12.851 4.674 8.287 907 2HZ LYS 120 2HZ LYS 120 13.673 3.232 7.960 908 3HZ LYS 120 3HZ LYS 120 12.120 3.187 8.631 909 H LEU 121 H LEU 121 5.742 4.154 6.780 910 HA LEU 121 HA LEU 121 4.486 6.622 7.593 911 1HB LEU 121 1HB LEU 121 4.861 6.027 5.217 912 2HB LEU 121 2HB LEU 121 3.714 4.716 5.391 913 HG LEU 121 HG LEU 121 1.936 6.340 5.880 914 1HD1 LEU 121 1HD1 LEU 121 2.340 8.727 5.465 915 2HD1 LEU 121 2HD1 LEU 121 4.062 8.393 5.292 916 3HD1 LEU 121 3HD1 LEU 121 3.264 8.125 6.841 917 1HD2 LEU 121 1HD2 LEU 121 2.227 5.569 3.611 918 2HD2 LEU 121 2HD2 LEU 121 3.444 6.809 3.316 919 3HD2 LEU 121 3HD2 LEU 121 1.767 7.272 3.608 920 H PHE 122 H PHE 122 4.044 3.390 8.482 921 HA PHE 122 HA PHE 122 2.452 2.345 9.721 922 1HB PHE 122 1HB PHE 122 2.214 4.072 11.243 923 2HB PHE 122 2HB PHE 122 1.650 5.207 10.028 924 HD1 PHE 122 1HD PHE 122 0.617 2.100 11.797 925 HD2 PHE 122 2HD PHE 122 -0.597 5.718 9.914 926 HE1 PHE 122 1HE PHE 122 -1.702 1.676 12.486 927 HE2 PHE 122 2HE PHE 122 -2.922 5.301 10.606 928 HZ PHE 122 HZ PHE 122 -3.478 3.279 11.894 929 H SER 123 H SER 123 1.841 3.865 6.811 930 HA SER 123 HA SER 123 -0.918 3.111 6.515 931 1HB SER 123 1HB SER 123 -0.115 5.037 5.290 932 2HB SER 123 2HB SER 123 1.138 4.070 4.512 933 HG SER 123 HG SER 123 -0.278 3.379 3.118 934 1H4 TSD 124 1H4 TSP 124 -4.335 0.843 -0.154 935 2H4 TSD 124 2H4 TSP 124 -4.832 -0.649 0.612 936 3H4 TSD 124 3H4 TSP 124 -3.551 -0.661 -0.579 937 1H5 TSD 124 1H5 TSP 124 -1.089 0.857 -0.041 938 2H5 TSD 124 2H5 TSP 124 -0.569 1.149 1.602 939 3H5 TSD 124 3H5 TSP 124 -1.726 2.223 0.847 940 1H6 TSD 124 1H6 TSP 124 -1.523 -1.890 1.376 941 2H6 TSD 124 2H6 TSP 124 -2.937 -2.084 2.386 942 3H6 TSD 124 3H6 TSP 124 -1.518 -1.276 3.013 943 1D3 TSD 124 1D3 TSP 124 -2.821 1.241 3.676 944 2D3 TSD 124 2D3 TSP 124 -3.959 1.967 2.560 945 1D2 TSD 124 1D2 TSP 124 -4.350 -0.638 4.065 946 2D2 TSD 124 2D2 TSP 124 -5.480 0.012 2.877 Start of MODEL 16 1 HA ILE 1 HA ILE 1 -0.278 12.842 11.602 2 HB ILE 1 HB ILE 1 -1.039 11.954 9.390 3 1HG1 ILE 1 1HG1 ILE 1 1.276 10.034 9.727 4 2HG1 ILE 1 2HG1 ILE 1 -0.419 9.579 9.848 5 1HG2 ILE 1 1HG2 ILE 1 0.663 13.686 9.553 6 2HG2 ILE 1 2HG2 ILE 1 0.992 12.613 8.194 7 3HG2 ILE 1 3HG2 ILE 1 1.920 12.456 9.686 8 1HD1 ILE 1 1HD1 ILE 1 -0.758 10.250 7.522 9 2HD1 ILE 1 2HD1 ILE 1 0.488 9.010 7.675 10 3HD1 ILE 1 3HD1 ILE 1 0.946 10.693 7.408 11 H ASP 2 H ASP 2 -2.591 12.431 10.988 12 HA ASP 2 HA ASP 2 -3.799 10.755 12.938 13 1HB ASP 2 1HB ASP 2 -5.075 12.139 10.569 14 2HB ASP 2 2HB ASP 2 -5.919 11.503 11.979 15 H GLN 3 H GLN 3 -4.663 8.774 12.801 16 HA GLN 3 HA GLN 3 -3.864 6.926 10.919 17 1HB GLN 3 1HB GLN 3 -5.843 5.565 11.736 18 2HB GLN 3 2HB GLN 3 -4.724 6.119 12.972 19 1HG GLN 3 1HG GLN 3 -6.250 7.945 13.530 20 2HG GLN 3 2HG GLN 3 -7.373 7.378 12.295 21 1HE2 GLN 3 1HE2 GLN 3 -9.010 7.031 13.787 22 2HE2 GLN 3 2HE2 GLN 3 -8.976 5.720 14.910 23 H ASP 4 H ASP 4 -6.674 8.999 10.940 24 HA ASP 4 HA ASP 4 -8.210 7.928 8.922 25 1HB ASP 4 1HB ASP 4 -7.707 10.870 9.423 26 2HB ASP 4 2HB ASP 4 -9.083 10.191 8.559 27 H THR 5 H THR 5 -5.516 10.203 8.637 28 HA THR 5 HA THR 5 -5.488 10.717 5.939 29 HB THR 5 HB THR 5 -3.072 10.224 7.687 30 HG1 THR 5 1HG THR 5 -3.294 12.702 7.611 31 1HG2 THR 5 1HG2 THR 5 -1.967 11.804 6.110 32 2HG2 THR 5 2HG2 THR 5 -3.401 11.714 5.088 33 3HG2 THR 5 3HG2 THR 5 -2.427 10.272 5.369 34 H VAL 6 H VAL 6 -4.342 7.850 7.609 35 HA VAL 6 HA VAL 6 -3.337 6.700 5.138 36 HB VAL 6 HB VAL 6 -3.494 5.451 7.883 37 1HG1 VAL 6 1HG1 VAL 6 -1.795 3.909 7.020 38 2HG1 VAL 6 2HG1 VAL 6 -1.912 4.674 5.436 39 3HG1 VAL 6 3HG1 VAL 6 -3.296 3.809 6.101 40 1HG2 VAL 6 1HG2 VAL 6 -1.190 6.868 6.547 41 2HG2 VAL 6 2HG2 VAL 6 -1.135 6.040 8.102 42 3HG2 VAL 6 3HG2 VAL 6 -2.134 7.479 7.905 43 H VAL 7 H VAL 7 -5.514 5.426 7.663 44 HA VAL 7 HA VAL 7 -6.571 3.387 6.061 45 HB VAL 7 HB VAL 7 -7.840 4.660 8.482 46 1HG1 VAL 7 1HG1 VAL 7 -8.962 2.489 8.742 47 2HG1 VAL 7 2HG1 VAL 7 -8.255 1.952 7.219 48 3HG1 VAL 7 3HG1 VAL 7 -9.408 3.285 7.233 49 1HG2 VAL 7 1HG2 VAL 7 -5.565 3.910 8.941 50 2HG2 VAL 7 2HG2 VAL 7 -5.947 2.320 8.279 51 3HG2 VAL 7 3HG2 VAL 7 -6.744 2.878 9.750 52 H ALA 8 H ALA 8 -8.295 6.305 7.184 53 HA ALA 8 HA ALA 8 -10.576 5.895 5.638 54 1HB ALA 8 1HB ALA 8 -9.477 8.521 6.625 55 2HB ALA 8 2HB ALA 8 -10.483 7.410 7.552 56 3HB ALA 8 3HB ALA 8 -11.138 8.206 6.122 57 H LYS 9 H LYS 9 -7.492 7.245 4.663 58 HA LYS 9 HA LYS 9 -8.693 8.431 2.285 59 1HB LYS 9 1HB LYS 9 -5.806 8.334 3.154 60 2HB LYS 9 2HB LYS 9 -6.432 9.236 1.782 61 1HG LYS 9 1HG LYS 9 -7.292 9.696 4.630 62 2HG LYS 9 2HG LYS 9 -6.022 10.610 3.815 63 1HD LYS 9 1HD LYS 9 -7.621 11.371 2.143 64 2HD LYS 9 2HD LYS 9 -8.895 10.420 2.908 65 1HE LYS 9 1HE LYS 9 -9.006 12.799 3.520 66 2HE LYS 9 2HE LYS 9 -8.731 11.760 4.918 67 1HZ LYS 9 1HZ LYS 9 -7.319 13.723 4.970 68 2HZ LYS 9 2HZ LYS 9 -6.640 13.304 3.480 69 3HZ LYS 9 3HZ LYS 9 -6.385 12.319 4.831 70 H TYR 10 H TYR 10 -6.046 6.112 2.895 71 HA TYR 10 HA TYR 10 -5.748 5.235 0.276 72 1HB TYR 10 1HB TYR 10 -5.204 3.907 2.920 73 2HB TYR 10 2HB TYR 10 -4.896 3.072 1.403 74 HD1 TYR 10 1HD TYR 10 -3.572 4.702 -0.353 75 HD2 TYR 10 2HD TYR 10 -3.359 4.885 3.891 76 HE1 TYR 10 1HE TYR 10 -1.376 5.793 -0.517 77 HE2 TYR 10 2HE TYR 10 -1.158 5.980 3.745 78 HH TYR 10 HH TYR 10 0.060 7.245 0.832 79 H MET 11 H MET 11 -8.303 4.632 2.469 80 HA MET 11 HA MET 11 -9.194 2.198 1.183 81 1HB MET 11 1HB MET 11 -9.566 2.475 3.576 82 2HB MET 11 2HB MET 11 -10.488 3.942 3.287 83 1HG MET 11 1HG MET 11 -12.229 2.701 2.202 84 2HG MET 11 2HG MET 11 -11.282 1.217 2.292 85 1HE MET 11 1HE MET 11 -11.256 0.465 6.118 86 2HE MET 11 2HE MET 11 -10.034 1.310 5.167 87 3HE MET 11 3HE MET 11 -10.825 -0.126 4.514 88 H GLU 12 H GLU 12 -10.619 5.430 1.652 89 HA GLU 12 HA GLU 12 -12.706 5.103 -0.199 90 1HB GLU 12 1HB GLU 12 -12.724 6.818 1.547 91 2HB GLU 12 2HB GLU 12 -11.370 7.634 0.776 92 1HG GLU 12 1HG GLU 12 -12.732 8.143 -1.155 93 2HG GLU 12 2HG GLU 12 -14.084 7.243 -0.469 94 H TYR 13 H TYR 13 -9.368 5.851 -0.626 95 HA TYR 13 HA TYR 13 -9.501 7.229 -3.085 96 1HB TYR 13 1HB TYR 13 -7.517 6.949 -1.441 97 2HB TYR 13 2HB TYR 13 -7.201 5.454 -2.313 98 HD1 TYR 13 1HD TYR 13 -7.397 9.126 -2.640 99 HD2 TYR 13 2HD TYR 13 -6.178 5.481 -4.465 100 HE1 TYR 13 1HE TYR 13 -6.149 10.399 -4.332 101 HE2 TYR 13 2HE TYR 13 -4.929 6.746 -6.167 102 HH TYR 13 HH TYR 13 -4.981 9.023 -7.176 103 H LEU 14 H LEU 14 -9.335 3.794 -2.290 104 HA LEU 14 HA LEU 14 -10.129 3.170 -5.031 105 1HB LEU 14 1HB LEU 14 -7.743 1.945 -3.648 106 2HB LEU 14 2HB LEU 14 -8.456 1.321 -5.120 107 HG LEU 14 HG LEU 14 -7.276 4.084 -4.865 108 1HD1 LEU 14 1HD1 LEU 14 -6.065 1.595 -6.059 109 2HD1 LEU 14 2HD1 LEU 14 -5.565 2.365 -4.553 110 3HD1 LEU 14 3HD1 LEU 14 -5.362 3.212 -6.087 111 1HD2 LEU 14 1HD2 LEU 14 -8.126 2.468 -7.267 112 2HD2 LEU 14 2HD2 LEU 14 -7.350 4.051 -7.313 113 3HD2 LEU 14 3HD2 LEU 14 -8.962 3.878 -6.614 114 H MET 15 H MET 15 -11.811 3.112 -2.888 115 HA MET 15 HA MET 15 -11.920 0.665 -1.502 116 1HB MET 15 1HB MET 15 -13.156 2.905 -1.065 117 2HB MET 15 2HB MET 15 -14.372 2.257 -2.155 118 1HG MET 15 1HG MET 15 -14.559 0.272 -0.690 119 2HG MET 15 2HG MET 15 -13.441 1.044 0.430 120 1HE MET 15 1HE MET 15 -13.973 3.359 1.671 121 2HE MET 15 2HE MET 15 -15.496 4.229 1.496 122 3HE MET 15 3HE MET 15 -14.382 4.119 0.133 123 HA PRO 16 HA PRO 16 -15.121 -0.780 -4.833 124 1HB PRO 16 1HB PRO 16 -15.123 0.485 -7.227 125 2HB PRO 16 2HB PRO 16 -16.136 1.003 -5.874 126 1HG PRO 16 1HG PRO 16 -13.501 2.094 -6.794 127 2HG PRO 16 2HG PRO 16 -14.965 2.971 -6.310 128 1HD PRO 16 1HD PRO 16 -12.864 2.640 -4.648 129 2HD PRO 16 2HD PRO 16 -14.538 2.694 -4.058 130 H ASP 17 H ASP 17 -11.874 0.079 -5.320 131 HA ASP 17 HA ASP 17 -11.504 -1.825 -7.509 132 1HB ASP 17 1HB ASP 17 -9.535 0.055 -6.192 133 2HB ASP 17 2HB ASP 17 -9.191 -0.970 -7.583 134 H ILE 18 H ILE 18 -11.269 -1.622 -4.115 135 HA ILE 18 HA ILE 18 -9.271 -3.698 -3.834 136 HB ILE 18 HB ILE 18 -11.005 -2.238 -1.848 137 1HG1 ILE 18 1HG1 ILE 18 -8.000 -2.359 -2.066 138 2HG1 ILE 18 2HG1 ILE 18 -8.963 -1.151 -2.910 139 1HG2 ILE 18 1HG2 ILE 18 -9.733 -3.427 -0.079 140 2HG2 ILE 18 2HG2 ILE 18 -9.068 -4.487 -1.320 141 3HG2 ILE 18 3HG2 ILE 18 -10.802 -4.481 -1.003 142 1HD1 ILE 18 1HD1 ILE 18 -8.845 -1.545 0.072 143 2HD1 ILE 18 2HD1 ILE 18 -9.799 -0.325 -0.773 144 3HD1 ILE 18 3HD1 ILE 18 -8.038 -0.271 -0.842 145 H MET 19 H MET 19 -12.759 -3.370 -3.268 146 HA MET 19 HA MET 19 -13.428 -5.789 -2.237 147 1HB MET 19 1HB MET 19 -14.954 -4.334 -4.402 148 2HB MET 19 2HB MET 19 -15.616 -5.552 -3.321 149 1HG MET 19 1HG MET 19 -15.259 -4.122 -1.419 150 2HG MET 19 2HG MET 19 -14.455 -2.924 -2.431 151 1HE MET 19 1HE MET 19 -16.029 -1.048 -1.459 152 2HE MET 19 2HE MET 19 -16.891 -2.214 -0.457 153 3HE MET 19 3HE MET 19 -17.792 -1.112 -1.498 154 HA PRO 20 HA PRO 20 -13.723 -7.501 -6.983 155 1HB PRO 20 1HB PRO 20 -11.034 -6.279 -7.497 156 2HB PRO 20 2HB PRO 20 -12.304 -6.714 -8.647 157 1HG PRO 20 1HG PRO 20 -11.975 -4.185 -7.867 158 2HG PRO 20 2HG PRO 20 -13.592 -4.862 -8.131 159 1HD PRO 20 1HD PRO 20 -12.236 -4.159 -5.601 160 2HD PRO 20 2HD PRO 20 -13.968 -4.268 -5.961 161 H CYS 21 H CYS 21 -10.367 -7.036 -5.808 162 HA CYS 21 HA CYS 21 -9.791 -9.816 -6.111 163 1HB CYS 21 1HB CYS 21 -8.259 -7.493 -4.990 164 2HB CYS 21 2HB CYS 21 -7.650 -9.137 -4.834 165 H ALA 22 H ALA 22 -10.898 -7.834 -3.474 166 HA ALA 22 HA ALA 22 -10.163 -9.338 -1.275 167 1HB ALA 22 1HB ALA 22 -12.154 -8.442 -0.165 168 2HB ALA 22 2HB ALA 22 -12.793 -7.927 -1.725 169 3HB ALA 22 3HB ALA 22 -11.318 -7.199 -1.093 170 H ASP 23 H ASP 23 -12.874 -9.834 -3.491 171 HA ASP 23 HA ASP 23 -13.755 -12.202 -2.073 172 1HB ASP 23 1HB ASP 23 -15.436 -10.760 -3.095 173 2HB ASP 23 2HB ASP 23 -14.683 -10.961 -4.674 174 H GLU 24 H GLU 24 -11.520 -11.415 -4.496 175 HA GLU 24 HA GLU 24 -11.601 -13.650 -6.165 176 1HB GLU 24 1HB GLU 24 -10.278 -11.525 -6.502 177 2HB GLU 24 2HB GLU 24 -9.094 -12.177 -5.381 178 1HG GLU 24 1HG GLU 24 -8.392 -12.564 -7.655 179 2HG GLU 24 2HG GLU 24 -8.753 -14.096 -6.860 180 H LEU 25 H LEU 25 -9.478 -13.110 -3.312 181 HA LEU 25 HA LEU 25 -8.688 -15.919 -3.423 182 1HB LEU 25 1HB LEU 25 -7.940 -13.786 -1.416 183 2HB LEU 25 2HB LEU 25 -7.164 -15.346 -1.617 184 HG LEU 25 HG LEU 25 -7.191 -13.304 -3.831 185 1HD1 LEU 25 1HD1 LEU 25 -5.029 -12.539 -3.092 186 2HD1 LEU 25 2HD1 LEU 25 -5.062 -13.655 -1.726 187 3HD1 LEU 25 3HD1 LEU 25 -6.201 -12.310 -1.793 188 1HD2 LEU 25 1HD2 LEU 25 -5.327 -15.592 -3.205 189 2HD2 LEU 25 2HD2 LEU 25 -5.282 -14.552 -4.628 190 3HD2 LEU 25 3HD2 LEU 25 -6.640 -15.649 -4.382 191 H HIS 26 H HIS 26 -10.421 -13.721 -1.257 192 HA HIS 26 HA HIS 26 -12.227 -15.599 -0.312 193 1HB HIS 26 1HB HIS 26 -10.216 -16.661 0.712 194 2HB HIS 26 2HB HIS 26 -9.944 -15.188 1.633 195 HD1 HIS 26 1HD HIS 26 -10.549 -15.712 3.975 196 HD2 HIS 26 2HD HIS 26 -13.283 -17.300 1.279 197 HE1 HIS 26 1HE HIS 26 -12.358 -16.747 5.381 198 HE2 HIS 26 2HE HIS 26 -14.043 -17.624 3.730 199 H ILE 27 H ILE 27 -10.174 -13.184 1.229 200 HA ILE 27 HA ILE 27 -12.443 -11.374 1.637 201 HB ILE 27 HB ILE 27 -11.736 -11.087 4.021 202 1HG1 ILE 27 1HG1 ILE 27 -9.906 -13.339 3.200 203 2HG1 ILE 27 2HG1 ILE 27 -9.508 -11.840 4.033 204 1HG2 ILE 27 1HG2 ILE 27 -13.656 -12.514 3.377 205 2HG2 ILE 27 2HG2 ILE 27 -12.861 -13.061 4.853 206 3HG2 ILE 27 3HG2 ILE 27 -12.574 -13.904 3.330 207 1HD1 ILE 27 1HD1 ILE 27 -9.312 -13.712 5.535 208 2HD1 ILE 27 2HD1 ILE 27 -10.980 -14.183 5.215 209 3HD1 ILE 27 3HD1 ILE 27 -10.636 -12.666 6.047 210 H SER 28 H SER 28 -11.670 -9.246 2.536 211 HA SER 28 HA SER 28 -9.188 -8.459 1.251 212 1HB SER 28 1HB SER 28 -10.496 -6.406 2.868 213 2HB SER 28 2HB SER 28 -10.096 -6.396 1.149 214 HG SER 28 HG SER 28 -12.197 -6.528 0.962 215 H GLU 29 H GLU 29 -7.295 -8.288 2.278 216 HA GLU 29 HA GLU 29 -6.841 -9.196 4.846 217 1HB GLU 29 1HB GLU 29 -5.297 -7.702 2.846 218 2HB GLU 29 2HB GLU 29 -4.757 -7.475 4.502 219 1HG GLU 29 1HG GLU 29 -4.758 -9.933 2.829 220 2HG GLU 29 2HG GLU 29 -3.488 -9.236 3.830 221 H ASP 30 H ASP 30 -7.375 -5.875 3.756 222 HA ASP 30 HA ASP 30 -6.753 -4.625 6.185 223 1HB ASP 30 1HB ASP 30 -8.666 -3.747 4.012 224 2HB ASP 30 2HB ASP 30 -8.093 -2.717 5.320 225 H ILE 31 H ILE 31 -9.562 -6.344 5.130 226 HA ILE 31 HA ILE 31 -11.050 -5.508 7.527 227 HB ILE 31 HB ILE 31 -12.144 -7.129 5.230 228 1HG1 ILE 31 1HG1 ILE 31 -12.294 -4.124 5.552 229 2HG1 ILE 31 2HG1 ILE 31 -11.215 -4.946 4.429 230 1HG2 ILE 31 1HG2 ILE 31 -13.459 -7.203 7.256 231 2HG2 ILE 31 2HG2 ILE 31 -14.300 -6.241 6.039 232 3HG2 ILE 31 3HG2 ILE 31 -13.448 -5.443 7.362 233 1HD1 ILE 31 1HD1 ILE 31 -13.155 -5.890 3.275 234 2HD1 ILE 31 2HD1 ILE 31 -13.180 -4.127 3.285 235 3HD1 ILE 31 3HD1 ILE 31 -14.223 -5.030 4.385 236 H ALA 32 H ALA 32 -9.070 -7.939 6.400 237 HA ALA 32 HA ALA 32 -10.199 -10.318 7.222 238 1HB ALA 32 1HB ALA 32 -8.072 -10.180 6.025 239 2HB ALA 32 2HB ALA 32 -7.923 -11.160 7.485 240 3HB ALA 32 3HB ALA 32 -7.304 -9.508 7.464 241 H THR 33 H THR 33 -8.380 -7.957 9.123 242 HA THR 33 HA THR 33 -9.733 -8.841 11.535 243 HB THR 33 HB THR 33 -8.054 -10.050 12.356 244 HG1 THR 33 1HG THR 33 -5.996 -8.287 12.313 245 1HG2 THR 33 1HG2 THR 33 -7.250 -10.568 10.146 246 2HG2 THR 33 2HG2 THR 33 -5.864 -10.282 11.197 247 3HG2 THR 33 3HG2 THR 33 -6.379 -9.038 10.059 248 H ASN 34 H ASN 34 -10.520 -7.012 12.312 249 HA ASN 34 HA ASN 34 -9.998 -4.454 11.678 250 1HB ASN 34 1HB ASN 34 -10.624 -5.422 14.473 251 2HB ASN 34 2HB ASN 34 -10.873 -3.785 13.874 252 1HD2 ASN 34 1HD2 ASN 34 -11.732 -4.735 11.240 253 2HD2 ASN 34 2HD2 ASN 34 -13.338 -5.329 11.455 254 H ILE 35 H ILE 35 -8.731 -5.609 14.790 255 HA ILE 35 HA ILE 35 -6.115 -4.475 14.167 256 HB ILE 35 HB ILE 35 -6.068 -3.309 16.396 257 1HG1 ILE 35 1HG1 ILE 35 -9.076 -3.615 16.218 258 2HG1 ILE 35 2HG1 ILE 35 -8.047 -4.500 17.340 259 1HG2 ILE 35 1HG2 ILE 35 -8.044 -2.291 14.356 260 2HG2 ILE 35 2HG2 ILE 35 -6.293 -2.088 14.301 261 3HG2 ILE 35 3HG2 ILE 35 -7.229 -1.315 15.579 262 1HD1 ILE 35 1HD1 ILE 35 -7.382 -2.399 18.386 263 2HD1 ILE 35 2HD1 ILE 35 -9.131 -2.623 18.427 264 3HD1 ILE 35 3HD1 ILE 35 -8.411 -1.514 17.260 265 H GLN 36 H GLN 36 -6.627 -7.127 14.302 266 HA GLN 36 HA GLN 36 -5.500 -7.901 16.913 267 1HB GLN 36 1HB GLN 36 -7.453 -9.399 15.171 268 2HB GLN 36 2HB GLN 36 -6.608 -10.132 16.526 269 1HG GLN 36 1HG GLN 36 -8.379 -9.516 17.725 270 2HG GLN 36 2HG GLN 36 -7.674 -7.901 17.674 271 1HE2 GLN 36 1HE2 GLN 36 -8.206 -7.642 14.794 272 2HE2 GLN 36 2HE2 GLN 36 -9.899 -7.332 14.658 273 H ALA 37 H ALA 37 -4.496 -7.393 13.924 274 HA ALA 37 HA ALA 37 -3.179 -9.928 13.422 275 1HB ALA 37 1HB ALA 37 -2.785 -7.326 11.965 276 2HB ALA 37 2HB ALA 37 -4.031 -8.511 11.571 277 3HB ALA 37 3HB ALA 37 -2.328 -8.939 11.418 278 H ALA 38 H ALA 38 -1.742 -6.656 13.419 279 HA ALA 38 HA ALA 38 0.013 -7.089 15.568 280 1HB ALA 38 1HB ALA 38 2.112 -7.523 14.427 281 2HB ALA 38 2HB ALA 38 1.271 -7.603 12.879 282 3HB ALA 38 3HB ALA 38 0.958 -8.819 14.118 283 H LYS 39 H LYS 39 0.883 -5.813 12.362 284 HA LYS 39 HA LYS 39 1.835 -3.378 13.478 285 1HB LYS 39 1HB LYS 39 1.290 -4.115 10.601 286 2HB LYS 39 2HB LYS 39 2.175 -2.691 11.130 287 1HG LYS 39 1HG LYS 39 3.000 -5.531 11.693 288 2HG LYS 39 2HG LYS 39 3.637 -4.530 10.387 289 1HD LYS 39 1HD LYS 39 4.475 -2.921 12.028 290 2HD LYS 39 2HD LYS 39 3.824 -3.911 13.336 291 1HE LYS 39 1HE LYS 39 5.943 -4.759 11.364 292 2HE LYS 39 2HE LYS 39 6.226 -4.276 13.035 293 1HZ LYS 39 1HZ LYS 39 4.633 -6.621 12.150 294 2HZ LYS 39 2HZ LYS 39 4.868 -6.151 13.757 295 3HZ LYS 39 3HZ LYS 39 6.182 -6.672 12.830 296 H ASN 40 H ASN 40 -0.829 -3.906 11.144 297 HA ASN 40 HA ASN 40 -2.157 -1.560 12.333 298 1HB ASN 40 1HB ASN 40 -3.032 -1.004 10.088 299 2HB ASN 40 2HB ASN 40 -1.271 -0.936 10.150 300 1HD2 ASN 40 1HD2 ASN 40 -0.080 -2.664 9.210 301 2HD2 ASN 40 2HD2 ASN 40 -0.770 -3.623 7.949 302 H GLY 41 H GLY 41 -2.369 -4.837 11.584 303 1HA GLY 41 1HA GLY 41 -4.202 -6.074 12.569 304 2HA GLY 41 2HA GLY 41 -5.272 -4.768 12.084 305 H ALA 42 H ALA 42 -3.622 -4.814 9.435 306 HA ALA 42 HA ALA 42 -5.437 -6.653 8.111 307 1HB ALA 42 1HB ALA 42 -4.595 -5.692 6.040 308 2HB ALA 42 2HB ALA 42 -3.353 -4.815 6.932 309 3HB ALA 42 3HB ALA 42 -5.055 -4.422 7.172 310 H ASP 43 H ASP 43 -2.678 -7.169 9.681 311 HA ASP 43 HA ASP 43 -1.072 -8.781 9.661 312 1HB ASP 43 1HB ASP 43 -3.095 -10.212 9.241 313 2HB ASP 43 2HB ASP 43 -2.749 -10.102 7.519 314 H MET 44 H MET 44 0.525 -9.981 8.137 315 HA MET 44 HA MET 44 1.099 -8.244 5.818 316 1HB MET 44 1HB MET 44 2.596 -7.930 7.827 317 2HB MET 44 2HB MET 44 3.176 -9.568 7.557 318 1HG MET 44 1HG MET 44 3.995 -8.942 5.359 319 2HG MET 44 2HG MET 44 3.360 -7.311 5.576 320 1HE MET 44 1HE MET 44 5.028 -9.521 8.327 321 2HE MET 44 2HE MET 44 6.716 -9.020 8.248 322 3HE MET 44 3HE MET 44 6.008 -9.946 6.924 323 H SER 45 H SER 45 0.457 -11.406 6.820 324 HA SER 45 HA SER 45 2.138 -12.822 5.008 325 1HB SER 45 1HB SER 45 1.205 -13.898 7.006 326 2HB SER 45 2HB SER 45 -0.424 -13.707 6.356 327 HG SER 45 HG SER 45 1.555 -15.059 4.881 328 H GLN 46 H GLN 46 -1.398 -12.240 4.942 329 HA GLN 46 HA GLN 46 -1.469 -12.980 2.133 330 1HB GLN 46 1HB GLN 46 -3.281 -13.188 4.219 331 2HB GLN 46 2HB GLN 46 -3.928 -11.881 3.239 332 1HG GLN 46 1HG GLN 46 -3.575 -14.755 2.570 333 2HG GLN 46 2HG GLN 46 -4.951 -13.693 2.304 334 1HE2 GLN 46 1HE2 GLN 46 -1.978 -14.881 1.042 335 2HE2 GLN 46 2HE2 GLN 46 -2.083 -14.129 -0.509 336 H LEU 47 H LEU 47 -1.024 -10.186 3.964 337 HA LEU 47 HA LEU 47 -2.350 -8.276 2.347 338 1HB LEU 47 1HB LEU 47 -1.511 -7.984 4.722 339 2HB LEU 47 2HB LEU 47 0.089 -7.789 4.043 340 HG LEU 47 HG LEU 47 -0.858 -5.857 2.695 341 1HD1 LEU 47 1HD1 LEU 47 -3.093 -6.154 4.691 342 2HD1 LEU 47 2HD1 LEU 47 -3.215 -6.440 2.955 343 3HD1 LEU 47 3HD1 LEU 47 -2.880 -4.817 3.560 344 1HD2 LEU 47 1HD2 LEU 47 -0.909 -5.556 5.692 345 2HD2 LEU 47 2HD2 LEU 47 -0.577 -4.300 4.499 346 3HD2 LEU 47 3HD2 LEU 47 0.561 -5.630 4.719 347 H GLY 48 H GLY 48 0.765 -9.840 2.133 348 1HA GLY 48 1HA GLY 48 1.862 -7.988 0.242 349 2HA GLY 48 2HA GLY 48 2.496 -9.580 0.636 350 H CYS 49 H CYS 49 -0.780 -9.686 -0.195 351 HA CYS 49 HA CYS 49 -0.226 -10.134 -3.031 352 1HB CYS 49 1HB CYS 49 -0.856 -12.176 -1.070 353 2HB CYS 49 2HB CYS 49 -1.998 -12.153 -2.406 354 H LEU 50 H LEU 50 -2.990 -10.783 -0.881 355 HA LEU 50 HA LEU 50 -4.992 -10.025 -2.603 356 1HB LEU 50 1HB LEU 50 -5.329 -11.109 -0.403 357 2HB LEU 50 2HB LEU 50 -4.951 -9.598 0.391 358 HG LEU 50 HG LEU 50 -7.411 -10.240 0.201 359 1HD1 LEU 50 1HD1 LEU 50 -8.128 -7.964 -0.102 360 2HD1 LEU 50 2HD1 LEU 50 -6.625 -7.560 -0.925 361 3HD1 LEU 50 3HD1 LEU 50 -6.605 -7.980 0.788 362 1HD2 LEU 50 1HD2 LEU 50 -7.362 -10.988 -2.126 363 2HD2 LEU 50 2HD2 LEU 50 -6.976 -9.349 -2.646 364 3HD2 LEU 50 3HD2 LEU 50 -8.530 -9.690 -1.889 365 H LYS 51 H LYS 51 -3.235 -8.008 -0.285 366 HA LYS 51 HA LYS 51 -4.532 -5.599 -1.143 367 1HB LYS 51 1HB LYS 51 -3.492 -6.051 1.157 368 2HB LYS 51 2HB LYS 51 -1.936 -5.779 0.387 369 1HG LYS 51 1HG LYS 51 -4.053 -3.715 0.079 370 2HG LYS 51 2HG LYS 51 -3.209 -3.845 1.622 371 1HD LYS 51 1HD LYS 51 -1.658 -3.730 -0.934 372 2HD LYS 51 2HD LYS 51 -2.295 -2.249 -0.219 373 1HE LYS 51 1HE LYS 51 -0.103 -2.457 0.608 374 2HE LYS 51 2HE LYS 51 -1.154 -2.968 1.927 375 1HZ LYS 51 1HZ LYS 51 0.682 -4.480 1.709 376 2HZ LYS 51 2HZ LYS 51 0.334 -4.750 0.077 377 3HZ LYS 51 3HZ LYS 51 -0.741 -5.280 1.269 378 H ALA 52 H ALA 52 -1.778 -7.489 -2.087 379 HA ALA 52 HA ALA 52 -0.310 -5.441 -3.409 380 1HB ALA 52 1HB ALA 52 -0.326 -8.401 -3.995 381 2HB ALA 52 2HB ALA 52 0.663 -7.616 -2.765 382 3HB ALA 52 3HB ALA 52 0.914 -7.241 -4.469 383 H CYS 53 H CYS 53 -3.237 -6.976 -4.099 384 HA CYS 53 HA CYS 53 -3.187 -6.960 -6.930 385 1HB CYS 53 1HB CYS 53 -4.866 -8.301 -5.999 386 2HB CYS 53 2HB CYS 53 -5.368 -7.052 -4.864 387 H VAL 54 H VAL 54 -4.233 -4.623 -4.505 388 HA VAL 54 HA VAL 54 -5.369 -2.730 -6.243 389 HB VAL 54 HB VAL 54 -3.976 -2.169 -3.619 390 1HG1 VAL 54 1HG1 VAL 54 -4.436 -0.160 -4.894 391 2HG1 VAL 54 2HG1 VAL 54 -5.518 -0.256 -3.504 392 3HG1 VAL 54 3HG1 VAL 54 -6.114 -0.658 -5.114 393 1HG2 VAL 54 1HG2 VAL 54 -5.585 -3.879 -3.208 394 2HG2 VAL 54 2HG2 VAL 54 -6.794 -3.061 -4.196 395 3HG2 VAL 54 3HG2 VAL 54 -6.285 -2.356 -2.662 396 H MET 55 H MET 55 -2.082 -3.457 -5.399 397 HA MET 55 HA MET 55 -0.857 -1.050 -6.201 398 1HB MET 55 1HB MET 55 0.330 -3.827 -6.355 399 2HB MET 55 2HB MET 55 1.205 -2.305 -6.236 400 1HG MET 55 1HG MET 55 0.257 -1.951 -4.002 401 2HG MET 55 2HG MET 55 -0.579 -3.498 -4.125 402 1HE MET 55 1HE MET 55 3.067 -2.586 -5.365 403 2HE MET 55 2HE MET 55 4.008 -3.024 -3.939 404 3HE MET 55 3HE MET 55 2.868 -1.680 -3.865 405 H LYS 56 H LYS 56 -1.184 -4.143 -7.950 406 HA LYS 56 HA LYS 56 -0.199 -3.138 -10.404 407 1HB LYS 56 1HB LYS 56 -2.093 -5.460 -10.253 408 2HB LYS 56 2HB LYS 56 -0.708 -5.229 -11.313 409 1HG LYS 56 1HG LYS 56 0.787 -5.514 -9.375 410 2HG LYS 56 2HG LYS 56 -0.624 -5.839 -8.366 411 1HD LYS 56 1HD LYS 56 0.145 -7.438 -10.805 412 2HD LYS 56 2HD LYS 56 0.536 -7.892 -9.146 413 1HE LYS 56 1HE LYS 56 -1.850 -7.975 -8.609 414 2HE LYS 56 2HE LYS 56 -2.241 -7.513 -10.265 415 1HZ LYS 56 1HZ LYS 56 -0.835 -9.995 -9.440 416 2HZ LYS 56 2HZ LYS 56 -1.179 -9.550 -11.035 417 3HZ LYS 56 3HZ LYS 56 -2.440 -9.891 -9.963 418 H ARG 57 H ARG 57 -3.202 -2.826 -8.832 419 HA ARG 57 HA ARG 57 -4.900 -2.573 -11.090 420 1HB ARG 57 1HB ARG 57 -5.626 -2.998 -8.711 421 2HB ARG 57 2HB ARG 57 -5.289 -1.307 -8.377 422 1HG ARG 57 1HG ARG 57 -7.572 -1.341 -8.755 423 2HG ARG 57 2HG ARG 57 -6.912 -0.812 -10.305 424 1HD ARG 57 1HD ARG 57 -7.697 -3.644 -9.623 425 2HD ARG 57 2HD ARG 57 -8.686 -2.513 -10.546 426 HE ARG 57 HE ARG 57 -6.344 -2.576 -11.912 427 1HH1 ARG 57 1HH1 ARG 57 -8.555 -5.030 -10.803 428 2HH1 ARG 57 2HH1 ARG 57 -8.198 -6.119 -12.101 429 1HH2 ARG 57 1HH2 ARG 57 -5.866 -4.007 -13.624 430 2HH2 ARG 57 2HH2 ARG 57 -6.670 -5.537 -13.704 431 H ILE 58 H ILE 58 -2.806 -0.361 -9.375 432 HA ILE 58 HA ILE 58 -3.694 1.818 -11.147 433 HB ILE 58 HB ILE 58 -2.658 3.356 -9.467 434 1HG1 ILE 58 1HG1 ILE 58 -2.611 0.876 -7.733 435 2HG1 ILE 58 2HG1 ILE 58 -1.184 1.640 -8.424 436 1HG2 ILE 58 1HG2 ILE 58 -4.900 1.591 -8.491 437 2HG2 ILE 58 2HG2 ILE 58 -5.060 2.996 -9.546 438 3HG2 ILE 58 3HG2 ILE 58 -4.521 3.202 -7.879 439 1HD1 ILE 58 1HD1 ILE 58 -1.463 2.259 -6.101 440 2HD1 ILE 58 2HD1 ILE 58 -3.077 2.883 -6.442 441 3HD1 ILE 58 3HD1 ILE 58 -1.662 3.666 -7.142 442 H GLU 59 H GLU 59 -1.775 -0.255 -11.849 443 HA GLU 59 HA GLU 59 0.227 -0.483 -12.897 444 1HB GLU 59 1HB GLU 59 0.038 2.529 -13.024 445 2HB GLU 59 2HB GLU 59 1.211 1.564 -13.911 446 1HG GLU 59 1HG GLU 59 -0.648 0.414 -15.052 447 2HG GLU 59 2HG GLU 59 -1.782 1.471 -14.212 448 H MET 60 H MET 60 0.021 0.321 -9.887 449 HA MET 60 HA MET 60 2.606 1.452 -9.337 450 1HB MET 60 1HB MET 60 0.839 1.932 -7.791 451 2HB MET 60 2HB MET 60 0.475 0.227 -7.581 452 1HG MET 60 1HG MET 60 1.669 1.262 -5.675 453 2HG MET 60 2HG MET 60 2.489 -0.134 -6.369 454 1HE MET 60 1HE MET 60 3.948 1.811 -4.405 455 2HE MET 60 2HE MET 60 5.487 2.079 -5.225 456 3HE MET 60 3HE MET 60 4.772 0.467 -5.195 457 H LEU 61 H LEU 61 1.568 -1.570 -10.263 458 HA LEU 61 HA LEU 61 4.119 -2.751 -9.640 459 1HB LEU 61 1HB LEU 61 2.976 -3.229 -7.576 460 2HB LEU 61 2HB LEU 61 1.573 -3.829 -8.439 461 HG LEU 61 HG LEU 61 2.913 -5.730 -9.270 462 1HD1 LEU 61 1HD1 LEU 61 5.113 -4.759 -9.274 463 2HD1 LEU 61 2HD1 LEU 61 5.109 -6.164 -8.210 464 3HD1 LEU 61 3HD1 LEU 61 5.062 -4.540 -7.526 465 1HD2 LEU 61 1HD2 LEU 61 1.584 -5.971 -7.244 466 2HD2 LEU 61 2HD2 LEU 61 2.932 -5.378 -6.275 467 3HD2 LEU 61 3HD2 LEU 61 3.071 -6.912 -7.132 468 H LYS 62 H LYS 62 4.562 -3.276 -11.710 469 HA LYS 62 HA LYS 62 2.525 -4.427 -13.415 470 1HB LYS 62 1HB LYS 62 5.419 -3.692 -13.822 471 2HB LYS 62 2HB LYS 62 4.500 -4.560 -15.046 472 1HG LYS 62 1HG LYS 62 3.246 -2.108 -14.006 473 2HG LYS 62 2HG LYS 62 4.719 -1.886 -14.948 474 1HD LYS 62 1HD LYS 62 2.891 -1.770 -16.469 475 2HD LYS 62 2HD LYS 62 3.683 -3.324 -16.727 476 1HE LYS 62 1HE LYS 62 1.256 -3.560 -16.729 477 2HE LYS 62 2HE LYS 62 1.977 -4.426 -15.375 478 1HZ LYS 62 1HZ LYS 62 1.379 -2.591 -13.925 479 2HZ LYS 62 2HZ LYS 62 0.006 -3.200 -14.704 480 3HZ LYS 62 3HZ LYS 62 0.699 -1.749 -15.227 481 H GLY 63 H GLY 63 2.192 -6.303 -12.013 482 1HA GLY 63 1HA GLY 63 2.341 -8.600 -11.838 483 2HA GLY 63 2HA GLY 63 3.689 -8.560 -12.966 484 H THR 64 H THR 64 5.662 -7.311 -11.865 485 HA THR 64 HA THR 64 6.000 -8.091 -9.088 486 HB THR 64 HB THR 64 8.038 -9.346 -9.471 487 HG1 THR 64 1HG THR 64 7.533 -9.058 -12.261 488 1HG2 THR 64 1HG2 THR 64 5.850 -10.380 -11.278 489 2HG2 THR 64 2HG2 THR 64 5.915 -10.595 -9.529 490 3HG2 THR 64 3HG2 THR 64 7.145 -11.335 -10.554 491 H GLU 65 H GLU 65 6.212 -5.760 -11.259 492 HA GLU 65 HA GLU 65 8.850 -4.741 -10.501 493 1HB GLU 65 1HB GLU 65 8.040 -4.726 -12.896 494 2HB GLU 65 2HB GLU 65 6.868 -3.506 -12.413 495 1HG GLU 65 1HG GLU 65 8.776 -2.453 -13.427 496 2HG GLU 65 2HG GLU 65 8.710 -2.040 -11.714 497 H LEU 66 H LEU 66 8.913 -3.640 -8.627 498 HA LEU 66 HA LEU 66 6.646 -2.318 -7.530 499 1HB LEU 66 1HB LEU 66 9.568 -2.179 -6.787 500 2HB LEU 66 2HB LEU 66 8.259 -1.514 -5.831 501 HG LEU 66 HG LEU 66 8.835 -3.528 -4.800 502 1HD1 LEU 66 1HD1 LEU 66 6.870 -4.911 -4.977 503 2HD1 LEU 66 2HD1 LEU 66 6.478 -4.191 -6.537 504 3HD1 LEU 66 3HD1 LEU 66 6.419 -3.209 -5.074 505 1HD2 LEU 66 1HD2 LEU 66 8.535 -5.149 -7.280 506 2HD2 LEU 66 2HD2 LEU 66 9.367 -5.543 -5.778 507 3HD2 LEU 66 3HD2 LEU 66 10.066 -4.368 -6.889 508 H TYR 67 H TYR 67 5.862 -0.506 -8.414 509 HA TYR 67 HA TYR 67 7.618 1.377 -9.752 510 1HB TYR 67 1HB TYR 67 4.667 0.994 -9.547 511 2HB TYR 67 2HB TYR 67 5.267 2.604 -9.930 512 HD1 TYR 67 1HD TYR 67 6.116 -0.888 -10.975 513 HD2 TYR 67 2HD TYR 67 5.208 3.089 -12.182 514 HE1 TYR 67 1HE TYR 67 6.352 -1.555 -13.330 515 HE2 TYR 67 2HE TYR 67 5.441 2.434 -14.541 516 HH TYR 67 HH TYR 67 6.575 0.674 -15.862 517 H VAL 68 H VAL 68 6.401 3.808 -9.233 518 HA VAL 68 HA VAL 68 6.124 4.326 -6.455 519 HB VAL 68 HB VAL 68 8.598 3.841 -6.666 520 1HG1 VAL 68 1HG1 VAL 68 8.580 6.480 -8.124 521 2HG1 VAL 68 2HG1 VAL 68 9.008 4.910 -8.804 522 3HG1 VAL 68 3HG1 VAL 68 10.018 5.633 -7.553 523 1HG2 VAL 68 1HG2 VAL 68 7.802 4.988 -4.739 524 2HG2 VAL 68 2HG2 VAL 68 7.654 6.504 -5.626 525 3HG2 VAL 68 3HG2 VAL 68 9.249 5.830 -5.290 526 H GLU 69 H GLU 69 6.004 5.239 -9.686 527 HA GLU 69 HA GLU 69 5.962 8.072 -9.361 528 1HB GLU 69 1HB GLU 69 4.876 6.402 -11.632 529 2HB GLU 69 2HB GLU 69 5.127 8.141 -11.663 530 1HG GLU 69 1HG GLU 69 6.987 7.357 -12.757 531 2HG GLU 69 2HG GLU 69 7.583 7.552 -11.110 532 HA PRO 70 HA PRO 70 1.109 7.451 -9.792 533 1HB PRO 70 1HB PRO 70 0.260 5.072 -8.668 534 2HB PRO 70 2HB PRO 70 0.423 5.374 -10.401 535 1HG PRO 70 1HG PRO 70 2.302 3.998 -8.529 536 2HG PRO 70 2HG PRO 70 1.871 3.579 -10.197 537 1HD PRO 70 1HD PRO 70 4.186 4.790 -9.619 538 2HD PRO 70 2HD PRO 70 3.284 5.183 -11.097 539 H VAL 71 H VAL 71 2.821 5.869 -7.109 540 HA VAL 71 HA VAL 71 1.011 6.486 -5.071 541 HB VAL 71 HB VAL 71 4.017 6.279 -4.840 542 1HG1 VAL 71 1HG1 VAL 71 3.605 5.721 -2.506 543 2HG1 VAL 71 2HG1 VAL 71 1.872 5.949 -2.745 544 3HG1 VAL 71 3HG1 VAL 71 2.972 7.320 -2.889 545 1HG2 VAL 71 1HG2 VAL 71 3.034 4.298 -5.875 546 2HG2 VAL 71 2HG2 VAL 71 1.891 4.161 -4.540 547 3HG2 VAL 71 3HG2 VAL 71 3.616 3.942 -4.250 548 H TYR 72 H TYR 72 3.742 8.375 -6.328 549 HA TYR 72 HA TYR 72 3.727 10.438 -4.481 550 1HB TYR 72 1HB TYR 72 4.323 10.466 -7.437 551 2HB TYR 72 2HB TYR 72 4.547 11.876 -6.416 552 HD1 TYR 72 1HD TYR 72 6.952 11.542 -7.482 553 HD2 TYR 72 2HD TYR 72 5.228 8.961 -4.567 554 HE1 TYR 72 1HE TYR 72 9.191 10.738 -6.874 555 HE2 TYR 72 2HE TYR 72 7.466 8.152 -3.955 556 HH TYR 72 HH TYR 72 9.695 7.996 -4.910 557 H LYS 73 H LYS 73 1.546 9.819 -7.146 558 HA LYS 73 HA LYS 73 0.276 12.377 -7.060 559 1HB LYS 73 1HB LYS 73 -0.010 9.891 -8.578 560 2HB LYS 73 2HB LYS 73 -1.544 10.686 -8.248 561 1HG LYS 73 1HG LYS 73 0.827 12.062 -9.486 562 2HG LYS 73 2HG LYS 73 -0.488 11.329 -10.406 563 1HD LYS 73 1HD LYS 73 -2.069 12.866 -9.558 564 2HD LYS 73 2HD LYS 73 -0.970 13.416 -8.293 565 1HE LYS 73 1HE LYS 73 -1.163 15.053 -10.103 566 2HE LYS 73 2HE LYS 73 0.479 14.425 -9.966 567 1HZ LYS 73 1HZ LYS 73 -1.553 13.548 -11.948 568 2HZ LYS 73 2HZ LYS 73 0.016 12.932 -11.815 569 3HZ LYS 73 3HZ LYS 73 -0.224 14.544 -12.269 570 H MET 74 H MET 74 -0.217 9.312 -5.449 571 HA MET 74 HA MET 74 -2.831 9.982 -4.469 572 1HB MET 74 1HB MET 74 -1.110 7.874 -3.222 573 2HB MET 74 2HB MET 74 -2.849 7.884 -3.472 574 1HG MET 74 1HG MET 74 -2.359 7.712 -5.945 575 2HG MET 74 2HG MET 74 -0.691 7.380 -5.492 576 1HE MET 74 1HE MET 74 -0.970 5.680 -2.857 577 2HE MET 74 2HE MET 74 0.106 5.240 -4.183 578 3HE MET 74 3HE MET 74 -0.995 4.042 -3.506 579 H ILE 75 H ILE 75 0.443 9.819 -3.103 580 HA ILE 75 HA ILE 75 -0.084 10.428 -0.475 581 HB ILE 75 HB ILE 75 2.259 11.461 -2.081 582 1HG1 ILE 75 1HG1 ILE 75 2.083 8.917 -0.457 583 2HG1 ILE 75 2HG1 ILE 75 1.871 8.970 -2.203 584 1HG2 ILE 75 1HG2 ILE 75 3.430 11.501 0.060 585 2HG2 ILE 75 2HG2 ILE 75 1.958 10.974 0.879 586 3HG2 ILE 75 3HG2 ILE 75 2.010 12.547 0.084 587 1HD1 ILE 75 1HD1 ILE 75 4.135 9.811 -2.465 588 2HD1 ILE 75 2HD1 ILE 75 4.124 8.284 -1.584 589 3HD1 ILE 75 3HD1 ILE 75 4.351 9.802 -0.715 590 H GLU 76 H GLU 76 -0.236 12.480 -3.268 591 HA GLU 76 HA GLU 76 -0.021 14.994 -2.033 592 1HB GLU 76 1HB GLU 76 -1.468 14.112 -4.525 593 2HB GLU 76 2HB GLU 76 -1.390 15.794 -4.019 594 1HG GLU 76 1HG GLU 76 1.072 15.670 -4.107 595 2HG GLU 76 2HG GLU 76 0.940 14.021 -4.711 596 H VAL 77 H VAL 77 -3.028 13.295 -2.984 597 HA VAL 77 HA VAL 77 -4.593 15.097 -1.329 598 HB VAL 77 HB VAL 77 -5.514 12.728 -2.962 599 1HG1 VAL 77 1HG1 VAL 77 -7.096 13.350 -1.224 600 2HG1 VAL 77 2HG1 VAL 77 -7.723 13.782 -2.814 601 3HG1 VAL 77 3HG1 VAL 77 -7.051 15.029 -1.762 602 1HG2 VAL 77 1HG2 VAL 77 -5.451 15.659 -3.671 603 2HG2 VAL 77 2HG2 VAL 77 -6.172 14.378 -4.646 604 3HG2 VAL 77 3HG2 VAL 77 -4.430 14.399 -4.365 605 H VAL 78 H VAL 78 -3.843 11.645 -1.456 606 HA VAL 78 HA VAL 78 -5.381 10.669 0.593 607 HB VAL 78 HB VAL 78 -2.607 9.870 -0.295 608 1HG1 VAL 78 1HG1 VAL 78 -4.451 8.360 1.561 609 2HG1 VAL 78 2HG1 VAL 78 -2.928 9.121 2.020 610 3HG1 VAL 78 3HG1 VAL 78 -2.933 7.764 0.898 611 1HG2 VAL 78 1HG2 VAL 78 -3.833 8.015 -1.363 612 2HG2 VAL 78 2HG2 VAL 78 -4.324 9.599 -1.965 613 3HG2 VAL 78 3HG2 VAL 78 -5.350 8.734 -0.820 614 H HIS 79 H HIS 79 -2.798 12.886 0.857 615 HA HIS 79 HA HIS 79 -2.860 12.641 3.778 616 1HB HIS 79 1HB HIS 79 -0.432 13.227 2.075 617 2HB HIS 79 2HB HIS 79 -0.473 13.317 3.832 618 HD1 HIS 79 1HD HIS 79 0.088 11.219 5.051 619 HD2 HIS 79 2HD HIS 79 -0.929 10.509 1.087 620 HE1 HIS 79 1HE HIS 79 0.524 8.770 4.671 621 HE2 HIS 79 2HE HIS 79 0.028 8.400 2.232 622 H ALA 80 H ALA 80 -4.621 14.286 2.726 623 HA ALA 80 HA ALA 80 -3.739 16.891 2.096 624 1HB ALA 80 1HB ALA 80 -6.046 17.568 2.437 625 2HB ALA 80 2HB ALA 80 -6.393 16.046 3.255 626 3HB ALA 80 3HB ALA 80 -5.980 16.051 1.540 627 H GLY 81 H GLY 81 -3.014 18.494 3.334 628 1HA GLY 81 1HA GLY 81 -3.721 19.595 5.603 629 2HA GLY 81 2HA GLY 81 -3.025 18.114 6.243 630 H ASN 82 H ASN 82 -0.759 17.695 5.825 631 HA ASN 82 HA ASN 82 0.781 20.168 5.888 632 1HB ASN 82 1HB ASN 82 1.515 17.299 6.483 633 2HB ASN 82 2HB ASN 82 2.667 18.629 6.535 634 1HD2 ASN 82 1HD2 ASN 82 3.068 18.334 8.712 635 2HD2 ASN 82 2HD2 ASN 82 1.924 18.770 9.932 636 H ALA 83 H ALA 83 2.464 20.654 4.498 637 HA ALA 83 HA ALA 83 2.209 19.564 1.839 638 1HB ALA 83 1HB ALA 83 3.786 21.309 1.194 639 2HB ALA 83 2HB ALA 83 4.065 21.694 2.893 640 3HB ALA 83 3HB ALA 83 2.478 21.968 2.176 641 H ASP 84 H ASP 84 4.578 19.426 4.451 642 HA ASP 84 HA ASP 84 6.517 18.068 2.804 643 1HB ASP 84 1HB ASP 84 7.850 17.873 4.811 644 2HB ASP 84 2HB ASP 84 7.251 19.522 4.652 645 H ASP 85 H ASP 85 3.953 17.209 4.993 646 HA ASP 85 HA ASP 85 4.675 14.579 5.587 647 1HB ASP 85 1HB ASP 85 2.741 15.706 6.630 648 2HB ASP 85 2HB ASP 85 1.889 15.664 5.089 649 H ILE 86 H ILE 86 3.511 16.070 2.711 650 HA ILE 86 HA ILE 86 2.864 13.627 1.346 651 HB ILE 86 HB ILE 86 3.238 16.434 0.274 652 1HG1 ILE 86 1HG1 ILE 86 0.664 14.950 0.839 653 2HG1 ILE 86 2HG1 ILE 86 1.386 16.111 1.950 654 1HG2 ILE 86 1HG2 ILE 86 3.541 14.745 -1.457 655 2HG2 ILE 86 2HG2 ILE 86 2.037 15.632 -1.702 656 3HG2 ILE 86 3HG2 ILE 86 1.999 14.006 -1.023 657 1HD1 ILE 86 1HD1 ILE 86 0.451 16.698 -0.849 658 2HD1 ILE 86 2HD1 ILE 86 1.156 17.861 0.272 659 3HD1 ILE 86 3HD1 ILE 86 -0.397 17.114 0.640 660 H GLN 87 H GLN 87 5.536 15.811 1.716 661 HA GLN 87 HA GLN 87 7.137 14.693 -0.380 662 1HB GLN 87 1HB GLN 87 7.902 16.500 1.912 663 2HB GLN 87 2HB GLN 87 8.922 16.123 0.529 664 1HG GLN 87 1HG GLN 87 7.166 17.135 -0.927 665 2HG GLN 87 2HG GLN 87 6.338 17.643 0.542 666 1HE2 GLN 87 1HE2 GLN 87 7.477 19.245 -1.612 667 2HE2 GLN 87 2HE2 GLN 87 8.626 20.299 -0.869 668 H LEU 88 H LEU 88 6.439 13.915 2.864 669 HA LEU 88 HA LEU 88 8.882 12.564 3.476 670 1HB LEU 88 1HB LEU 88 7.348 13.497 5.190 671 2HB LEU 88 2HB LEU 88 6.171 12.269 4.767 672 HG LEU 88 HG LEU 88 7.852 10.533 5.440 673 1HD1 LEU 88 1HD1 LEU 88 9.725 11.234 6.837 674 2HD1 LEU 88 2HD1 LEU 88 9.328 12.924 6.528 675 3HD1 LEU 88 3HD1 LEU 88 9.863 11.889 5.205 676 1HD2 LEU 88 1HD2 LEU 88 7.008 12.519 7.546 677 2HD2 LEU 88 2HD2 LEU 88 7.511 10.856 7.846 678 3HD2 LEU 88 3HD2 LEU 88 6.041 11.181 6.927 679 H VAL 89 H VAL 89 5.573 11.343 2.882 680 HA VAL 89 HA VAL 89 6.247 8.641 2.730 681 HB VAL 89 HB VAL 89 4.015 9.944 1.179 682 1HG1 VAL 89 1HG1 VAL 89 2.899 7.776 1.498 683 2HG1 VAL 89 2HG1 VAL 89 4.350 7.162 2.293 684 3HG1 VAL 89 3HG1 VAL 89 4.404 7.624 0.591 685 1HG2 VAL 89 1HG2 VAL 89 2.618 9.545 3.163 686 2HG2 VAL 89 2HG2 VAL 89 3.913 10.698 3.485 687 3HG2 VAL 89 3HG2 VAL 89 4.051 9.035 4.054 688 H LYS 90 H LYS 90 6.687 11.185 0.456 689 HA LYS 90 HA LYS 90 6.784 9.852 -1.970 690 1HB LYS 90 1HB LYS 90 7.539 12.373 -0.957 691 2HB LYS 90 2HB LYS 90 8.951 11.737 -1.782 692 1HG LYS 90 1HG LYS 90 7.763 13.023 -3.356 693 2HG LYS 90 2HG LYS 90 7.472 11.334 -3.770 694 1HD LYS 90 1HD LYS 90 5.293 11.388 -2.962 695 2HD LYS 90 2HD LYS 90 5.575 12.833 -1.998 696 1HE LYS 90 1HE LYS 90 5.841 14.131 -4.083 697 2HE LYS 90 2HE LYS 90 5.446 12.683 -5.006 698 1HZ LYS 90 1HZ LYS 90 3.297 12.636 -3.793 699 2HZ LYS 90 2HZ LYS 90 3.485 13.985 -4.794 700 3HZ LYS 90 3HZ LYS 90 3.682 14.141 -3.120 701 H GLY 91 H GLY 91 9.375 10.327 0.414 702 1HA GLY 91 1HA GLY 91 11.225 8.670 -1.052 703 2HA GLY 91 2HA GLY 91 11.486 9.380 0.538 704 H ILE 92 H ILE 92 8.880 8.212 1.464 705 HA ILE 92 HA ILE 92 9.882 5.876 2.648 706 HB ILE 92 HB ILE 92 7.030 6.769 2.291 707 1HG1 ILE 92 1HG1 ILE 92 8.891 6.952 4.608 708 2HG1 ILE 92 2HG1 ILE 92 8.411 8.289 3.589 709 1HG2 ILE 92 1HG2 ILE 92 6.458 5.188 4.069 710 2HG2 ILE 92 2HG2 ILE 92 8.116 4.589 4.048 711 3HG2 ILE 92 3HG2 ILE 92 7.081 4.368 2.639 712 1HD1 ILE 92 1HD1 ILE 92 7.226 8.287 5.723 713 2HD1 ILE 92 2HD1 ILE 92 6.580 6.686 5.361 714 3HD1 ILE 92 3HD1 ILE 92 6.121 8.067 4.368 715 H ALA 93 H ALA 93 7.851 6.377 -0.203 716 HA ALA 93 HA ALA 93 7.214 3.690 -0.701 717 1HB ALA 93 1HB ALA 93 7.575 5.918 -2.702 718 2HB ALA 93 2HB ALA 93 6.097 5.570 -1.806 719 3HB ALA 93 3HB ALA 93 6.714 4.403 -2.976 720 H ASN 94 H ASN 94 10.114 5.506 -1.222 721 HA ASN 94 HA ASN 94 11.277 3.572 -3.034 722 1HB ASN 94 1HB ASN 94 11.808 5.952 -3.297 723 2HB ASN 94 2HB ASN 94 12.490 5.988 -1.673 724 1HD2 ASN 94 1HD2 ASN 94 14.502 6.620 -2.387 725 2HD2 ASN 94 2HD2 ASN 94 15.567 5.556 -3.236 726 H GLU 95 H GLU 95 11.326 4.335 0.367 727 HA GLU 95 HA GLU 95 13.653 3.028 1.165 728 1HB GLU 95 1HB GLU 95 12.283 4.479 2.635 729 2HB GLU 95 2HB GLU 95 11.043 3.228 2.696 730 1HG GLU 95 1HG GLU 95 12.441 3.233 4.692 731 2HG GLU 95 2HG GLU 95 12.577 1.720 3.798 732 H CYS 96 H CYS 96 10.550 1.756 0.239 733 HA CYS 96 HA CYS 96 11.082 -0.881 1.275 734 1HB CYS 96 1HB CYS 96 8.842 0.595 0.048 735 2HB CYS 96 2HB CYS 96 8.872 -1.131 -0.227 736 H ILE 97 H ILE 97 10.785 0.663 -1.924 737 HA ILE 97 HA ILE 97 11.047 -1.583 -3.532 738 HB ILE 97 HB ILE 97 12.178 1.160 -4.097 739 1HG1 ILE 97 1HG1 ILE 97 9.477 0.017 -4.837 740 2HG1 ILE 97 2HG1 ILE 97 9.748 1.111 -3.486 741 1HG2 ILE 97 1HG2 ILE 97 11.931 0.528 -6.454 742 2HG2 ILE 97 2HG2 ILE 97 11.409 -1.083 -5.961 743 3HG2 ILE 97 3HG2 ILE 97 13.048 -0.539 -5.605 744 1HD1 ILE 97 1HD1 ILE 97 10.542 2.819 -5.052 745 2HD1 ILE 97 2HD1 ILE 97 8.888 2.311 -5.394 746 3HD1 ILE 97 3HD1 ILE 97 10.216 1.723 -6.393 747 H GLU 98 H GLU 98 13.554 0.320 -1.939 748 HA GLU 98 HA GLU 98 15.789 -0.771 -3.221 749 1HB GLU 98 1HB GLU 98 15.490 0.309 -0.415 750 2HB GLU 98 2HB GLU 98 17.034 -0.066 -1.168 751 1HG GLU 98 1HG GLU 98 16.632 1.601 -2.881 752 2HG GLU 98 2HG GLU 98 15.048 1.948 -2.195 753 H ASN 99 H ASN 99 13.823 -1.998 -0.591 754 HA ASN 99 HA ASN 99 15.637 -4.284 -0.294 755 1HB ASN 99 1HB ASN 99 14.934 -4.490 1.873 756 2HB ASN 99 2HB ASN 99 14.650 -2.768 1.657 757 1HD2 ASN 99 1HD2 ASN 99 13.210 -5.883 2.038 758 2HD2 ASN 99 2HD2 ASN 99 11.585 -5.337 2.254 759 H ALA 100 H ALA 100 12.852 -3.412 -1.900 760 HA ALA 100 HA ALA 100 11.710 -6.114 -1.785 761 1HB ALA 100 1HB ALA 100 10.164 -4.276 -1.316 762 2HB ALA 100 2HB ALA 100 9.705 -5.154 -2.775 763 3HB ALA 100 3HB ALA 100 10.504 -3.587 -2.905 764 H LYS 101 H LYS 101 13.837 -4.384 -3.579 765 HA LYS 101 HA LYS 101 14.299 -4.231 -5.870 766 1HB LYS 101 1HB LYS 101 14.981 -6.871 -6.313 767 2HB LYS 101 2HB LYS 101 16.003 -5.636 -5.598 768 1HG LYS 101 1HG LYS 101 16.134 -7.419 -4.112 769 2HG LYS 101 2HG LYS 101 14.972 -6.325 -3.365 770 1HD LYS 101 1HD LYS 101 13.151 -7.689 -4.406 771 2HD LYS 101 2HD LYS 101 14.388 -8.845 -4.902 772 1HE LYS 101 1HE LYS 101 14.045 -7.980 -2.046 773 2HE LYS 101 2HE LYS 101 13.151 -9.330 -2.731 774 1HZ LYS 101 1HZ LYS 101 15.246 -10.410 -3.257 775 2HZ LYS 101 2HZ LYS 101 15.156 -10.068 -1.603 776 3HZ LYS 101 3HZ LYS 101 16.109 -9.104 -2.614 777 H GLY 102 H GLY 102 13.143 -7.552 -6.055 778 1HA GLY 102 1HA GLY 102 10.687 -7.093 -7.308 779 2HA GLY 102 2HA GLY 102 11.922 -7.192 -8.558 780 H GLU 103 H GLU 103 10.760 -8.935 -5.681 781 HA GLU 103 HA GLU 103 11.976 -11.391 -6.264 782 1HB GLU 103 1HB GLU 103 9.585 -10.627 -4.610 783 2HB GLU 103 2HB GLU 103 10.071 -12.306 -4.782 784 1HG GLU 103 1HG GLU 103 11.762 -10.077 -3.674 785 2HG GLU 103 2HG GLU 103 10.951 -11.335 -2.741 786 H THR 104 H THR 104 10.592 -13.443 -6.610 787 HA THR 104 HA THR 104 9.193 -13.071 -9.140 788 HB THR 104 HB THR 104 9.319 -15.532 -9.339 789 HG1 THR 104 1HG THR 104 9.804 -15.370 -6.713 790 1HG2 THR 104 1HG2 THR 104 11.756 -15.691 -9.585 791 2HG2 THR 104 2HG2 THR 104 11.946 -14.210 -8.644 792 3HG2 THR 104 3HG2 THR 104 11.143 -14.160 -10.214 793 H ASP 105 H ASP 105 8.639 -14.561 -5.962 794 HA ASP 105 HA ASP 105 5.933 -15.277 -6.586 795 1HB ASP 105 1HB ASP 105 7.214 -16.588 -4.968 796 2HB ASP 105 2HB ASP 105 7.384 -15.174 -3.932 797 H GLU 106 H GLU 106 4.274 -13.935 -6.634 798 HA GLU 106 HA GLU 106 4.312 -11.239 -6.136 799 1HB GLU 106 1HB GLU 106 2.532 -12.423 -7.368 800 2HB GLU 106 2HB GLU 106 1.923 -13.070 -5.852 801 1HG GLU 106 1HG GLU 106 0.591 -11.187 -6.585 802 2HG GLU 106 2HG GLU 106 1.428 -10.811 -5.079 803 H CYS 107 H CYS 107 2.871 -13.674 -3.960 804 HA CYS 107 HA CYS 107 2.273 -11.984 -1.849 805 1HB CYS 107 1HB CYS 107 3.018 -14.907 -1.863 806 2HB CYS 107 2HB CYS 107 2.476 -14.067 -0.415 807 H ASN 108 H ASN 108 5.355 -13.205 -2.851 808 HA ASN 108 HA ASN 108 6.655 -12.577 -0.342 809 1HB ASN 108 1HB ASN 108 7.450 -14.461 -1.731 810 2HB ASN 108 2HB ASN 108 7.864 -13.326 -3.015 811 1HD2 ASN 108 1HD2 ASN 108 10.024 -13.921 -2.962 812 2HD2 ASN 108 2HD2 ASN 108 11.080 -13.441 -1.683 813 H ILE 109 H ILE 109 6.164 -11.112 -3.475 814 HA ILE 109 HA ILE 109 8.098 -9.044 -3.206 815 HB ILE 109 HB ILE 109 5.588 -9.058 -4.889 816 1HG1 ILE 109 1HG1 ILE 109 8.383 -9.755 -5.778 817 2HG1 ILE 109 2HG1 ILE 109 7.230 -10.967 -5.233 818 1HG2 ILE 109 1HG2 ILE 109 6.788 -7.413 -6.269 819 2HG2 ILE 109 2HG2 ILE 109 8.107 -7.413 -5.100 820 3HG2 ILE 109 3HG2 ILE 109 6.511 -6.830 -4.627 821 1HD1 ILE 109 1HD1 ILE 109 5.692 -10.273 -7.015 822 2HD1 ILE 109 2HD1 ILE 109 7.238 -10.852 -7.635 823 3HD1 ILE 109 3HD1 ILE 109 6.901 -9.120 -7.580 824 H GLY 110 H GLY 110 4.671 -9.346 -2.433 825 1HA GLY 110 1HA GLY 110 4.376 -6.592 -1.676 826 2HA GLY 110 2HA GLY 110 3.198 -7.872 -1.441 827 H ASN 111 H ASN 111 4.430 -9.655 0.156 828 HA ASN 111 HA ASN 111 4.133 -8.642 2.695 829 1HB ASN 111 1HB ASN 111 4.104 -10.967 2.540 830 2HB ASN 111 2HB ASN 111 5.619 -11.029 1.646 831 1HD2 ASN 111 1HD2 ASN 111 4.177 -10.450 4.782 832 2HD2 ASN 111 2HD2 ASN 111 5.577 -10.839 5.708 833 H LYS 112 H LYS 112 6.981 -8.617 0.668 834 HA LYS 112 HA LYS 112 8.730 -7.709 2.769 835 1HB LYS 112 1HB LYS 112 9.036 -7.955 -0.218 836 2HB LYS 112 2HB LYS 112 10.291 -7.273 0.804 837 1HG LYS 112 1HG LYS 112 10.328 -9.409 2.078 838 2HG LYS 112 2HG LYS 112 9.188 -10.072 0.907 839 1HD LYS 112 1HD LYS 112 11.375 -10.767 0.255 840 2HD LYS 112 2HD LYS 112 10.850 -9.528 -0.886 841 1HE LYS 112 1HE LYS 112 13.182 -9.204 -0.211 842 2HE LYS 112 2HE LYS 112 12.164 -7.855 0.296 843 1HZ LYS 112 1HZ LYS 112 12.072 -8.819 2.517 844 2HZ LYS 112 2HZ LYS 112 13.670 -8.512 2.055 845 3HZ LYS 112 3HZ LYS 112 13.072 -10.094 2.027 846 H TYR 113 H TYR 113 6.946 -6.311 0.093 847 HA TYR 113 HA TYR 113 7.980 -3.679 0.349 848 1HB TYR 113 1HB TYR 113 6.711 -4.815 -1.630 849 2HB TYR 113 2HB TYR 113 5.267 -4.271 -0.786 850 HD1 TYR 113 1HD TYR 113 4.855 -1.841 -0.482 851 HD2 TYR 113 2HD TYR 113 8.103 -3.291 -2.814 852 HE1 TYR 113 1HE TYR 113 5.089 0.375 -1.524 853 HE2 TYR 113 2HE TYR 113 8.350 -1.083 -3.860 854 HH TYR 113 HH TYR 113 6.805 1.701 -2.664 855 H THR 114 H THR 114 4.680 -4.858 1.060 856 HA THR 114 HA THR 114 3.753 -2.691 2.452 857 HB THR 114 HB THR 114 2.375 -4.663 1.828 858 HG1 THR 114 1HG THR 114 2.316 -3.364 4.282 859 1HG2 THR 114 1HG2 THR 114 3.942 -6.392 2.691 860 2HG2 THR 114 2HG2 THR 114 2.287 -6.601 3.265 861 3HG2 THR 114 3HG2 THR 114 3.510 -5.912 4.332 862 H ASP 115 H ASP 115 5.878 -5.227 3.572 863 HA ASP 115 HA ASP 115 5.815 -5.026 6.289 864 1HB ASP 115 1HB ASP 115 7.304 -6.557 5.074 865 2HB ASP 115 2HB ASP 115 8.301 -5.192 4.563 866 H CYS 116 H CYS 116 8.272 -3.268 4.428 867 HA CYS 116 HA CYS 116 8.779 -1.432 6.539 868 1HB CYS 116 1HB CYS 116 10.090 -0.242 4.642 869 2HB CYS 116 2HB CYS 116 10.631 -1.830 5.185 870 H TYR 117 H TYR 117 6.595 -1.442 3.855 871 HA TYR 117 HA TYR 117 6.286 1.341 3.550 872 1HB TYR 117 1HB TYR 117 5.437 -0.709 2.100 873 2HB TYR 117 2HB TYR 117 3.981 -0.494 3.062 874 HD1 TYR 117 1HD TYR 117 2.493 0.243 1.352 875 HD2 TYR 117 2HD TYR 117 6.221 2.220 1.919 876 HE1 TYR 117 1HE TYR 117 1.761 2.039 -0.155 877 HE2 TYR 117 2HE TYR 117 5.497 4.021 0.413 878 HH TYR 117 HH TYR 117 3.890 4.366 -1.409 879 H ILE 118 H ILE 118 4.171 -0.988 5.228 880 HA ILE 118 HA ILE 118 2.494 0.915 6.406 881 HB ILE 118 HB ILE 118 3.196 -1.822 7.479 882 1HG1 ILE 118 1HG1 ILE 118 2.417 -1.937 5.162 883 2HG1 ILE 118 2HG1 ILE 118 1.203 -2.592 6.255 884 1HG2 ILE 118 1HG2 ILE 118 0.977 -1.715 8.541 885 2HG2 ILE 118 2HG2 ILE 118 0.809 -0.050 7.986 886 3HG2 ILE 118 3HG2 ILE 118 2.073 -0.472 9.142 887 1HD1 ILE 118 1HD1 ILE 118 0.156 -1.258 4.543 888 2HD1 ILE 118 2HD1 ILE 118 1.167 0.125 4.961 889 3HD1 ILE 118 3HD1 ILE 118 -0.032 -0.470 6.109 890 H GLU 119 H GLU 119 5.731 0.119 7.115 891 HA GLU 119 HA GLU 119 5.750 0.671 9.896 892 1HB GLU 119 1HB GLU 119 7.544 -0.577 8.760 893 2HB GLU 119 2HB GLU 119 8.006 0.881 7.896 894 1HG GLU 119 1HG GLU 119 9.495 0.473 9.759 895 2HG GLU 119 2HG GLU 119 8.579 1.961 10.006 896 H LYS 120 H LYS 120 6.924 2.675 7.160 897 HA LYS 120 HA LYS 120 6.922 5.011 8.881 898 1HB LYS 120 1HB LYS 120 7.614 4.795 5.950 899 2HB LYS 120 2HB LYS 120 7.936 6.168 6.995 900 1HG LYS 120 1HG LYS 120 9.987 5.159 6.951 901 2HG LYS 120 2HG LYS 120 9.284 4.413 8.387 902 1HD LYS 120 1HD LYS 120 8.766 2.422 7.196 903 2HD LYS 120 2HD LYS 120 9.146 3.177 5.646 904 1HE LYS 120 1HE LYS 120 10.950 1.708 6.340 905 2HE LYS 120 2HE LYS 120 11.489 3.385 6.332 906 1HZ LYS 120 1HZ LYS 120 11.160 3.453 8.734 907 2HZ LYS 120 2HZ LYS 120 12.263 2.244 8.302 908 3HZ LYS 120 3HZ LYS 120 10.679 1.829 8.729 909 H LEU 121 H LEU 121 5.183 3.825 6.039 910 HA LEU 121 HA LEU 121 3.710 6.121 5.462 911 1HB LEU 121 1HB LEU 121 3.788 4.351 3.887 912 2HB LEU 121 2HB LEU 121 3.081 3.213 5.015 913 HG LEU 121 HG LEU 121 1.496 5.591 4.254 914 1HD1 LEU 121 1HD1 LEU 121 0.666 4.307 2.257 915 2HD1 LEU 121 2HD1 LEU 121 2.096 3.290 2.431 916 3HD1 LEU 121 3HD1 LEU 121 2.273 5.014 2.105 917 1HD2 LEU 121 1HD2 LEU 121 0.806 2.684 4.658 918 2HD2 LEU 121 2HD2 LEU 121 -0.345 3.993 4.398 919 3HD2 LEU 121 3HD2 LEU 121 0.629 3.958 5.866 920 H PHE 122 H PHE 122 2.851 3.397 7.607 921 HA PHE 122 HA PHE 122 0.351 4.629 8.326 922 1HB PHE 122 1HB PHE 122 1.161 2.064 8.397 923 2HB PHE 122 2HB PHE 122 1.463 2.510 10.075 924 HD1 PHE 122 1HD PHE 122 -0.904 1.193 7.896 925 HD2 PHE 122 2HD PHE 122 -0.549 3.897 11.165 926 HE1 PHE 122 1HE PHE 122 -3.285 0.873 8.413 927 HE2 PHE 122 2HE PHE 122 -2.933 3.582 11.685 928 HZ PHE 122 HZ PHE 122 -4.317 2.110 10.274 929 H SER 123 H SER 123 2.409 6.412 8.717 930 HA SER 123 HA SER 123 3.479 6.522 11.301 931 1HB SER 123 1HB SER 123 4.281 7.958 9.484 932 2HB SER 123 2HB SER 123 2.735 8.806 9.455 933 HG SER 123 HG SER 123 4.469 9.839 10.680 934 1H4 TSD 124 1H4 TSP 124 -2.467 -0.981 -1.747 935 2H4 TSD 124 2H4 TSP 124 -0.901 -0.376 -2.237 936 3H4 TSD 124 3H4 TSP 124 -2.266 -0.245 -3.321 937 1H5 TSD 124 1H5 TSP 124 -4.359 2.536 -2.342 938 2H5 TSD 124 2H5 TSP 124 -3.469 1.845 -3.679 939 3H5 TSD 124 3H5 TSP 124 -2.921 3.330 -2.937 940 1H6 TSD 124 1H6 TSP 124 -0.949 2.817 -0.230 941 2H6 TSD 124 2H6 TSP 124 -0.652 3.072 -1.933 942 3H6 TSD 124 3H6 TSP 124 -0.012 1.653 -1.139 943 1D3 TSD 124 1D3 TSP 124 -3.613 2.141 0.321 944 2D3 TSD 124 2D3 TSP 124 -4.218 0.619 -0.302 945 1D2 TSD 124 1D2 TSP 124 -1.693 0.952 1.351 946 2D2 TSD 124 2D2 TSP 124 -2.330 -0.576 0.746 Start of MODEL 17 1 HA ILE 1 HA ILE 1 -0.281 13.768 10.442 2 HB ILE 1 HB ILE 1 -0.748 12.038 8.730 3 1HG1 ILE 1 1HG1 ILE 1 1.553 10.560 10.032 4 2HG1 ILE 1 2HG1 ILE 1 -0.138 10.073 10.112 5 1HG2 ILE 1 1HG2 ILE 1 0.889 13.796 8.319 6 2HG2 ILE 1 2HG2 ILE 1 1.367 12.294 7.529 7 3HG2 ILE 1 3HG2 ILE 1 2.156 12.793 9.024 8 1HD1 ILE 1 1HD1 ILE 1 1.042 8.764 8.465 9 2HD1 ILE 1 2HD1 ILE 1 1.557 10.230 7.631 10 3HD1 ILE 1 3HD1 ILE 1 -0.151 9.794 7.674 11 H ASP 2 H ASP 2 -2.490 12.896 9.960 12 HA ASP 2 HA ASP 2 -3.596 11.800 12.395 13 1HB ASP 2 1HB ASP 2 -4.913 12.766 9.850 14 2HB ASP 2 2HB ASP 2 -5.779 12.275 11.302 15 H GLN 3 H GLN 3 -4.690 9.883 12.626 16 HA GLN 3 HA GLN 3 -3.893 7.718 10.984 17 1HB GLN 3 1HB GLN 3 -6.094 7.825 13.056 18 2HB GLN 3 2HB GLN 3 -5.386 6.362 12.385 19 1HG GLN 3 1HG GLN 3 -3.238 6.928 13.365 20 2HG GLN 3 2HG GLN 3 -3.914 8.427 14.005 21 1HE2 GLN 3 1HE2 GLN 3 -5.337 8.346 15.741 22 2HE2 GLN 3 2HE2 GLN 3 -5.495 6.942 16.736 23 H ASP 4 H ASP 4 -6.353 10.002 10.669 24 HA ASP 4 HA ASP 4 -8.200 8.323 9.211 25 1HB ASP 4 1HB ASP 4 -8.124 11.318 9.636 26 2HB ASP 4 2HB ASP 4 -9.420 10.459 8.810 27 H THR 5 H THR 5 -5.891 10.909 8.471 28 HA THR 5 HA THR 5 -6.345 11.125 5.725 29 HB THR 5 HB THR 5 -4.007 11.949 5.562 30 HG1 THR 5 1HG THR 5 -2.624 11.477 7.088 31 1HG2 THR 5 1HG2 THR 5 -5.813 13.466 6.228 32 2HG2 THR 5 2HG2 THR 5 -4.297 13.887 7.022 33 3HG2 THR 5 3HG2 THR 5 -5.553 13.034 7.919 34 H VAL 6 H VAL 6 -4.710 8.694 7.573 35 HA VAL 6 HA VAL 6 -3.525 7.504 5.199 36 HB VAL 6 HB VAL 6 -3.519 6.514 8.055 37 1HG1 VAL 6 1HG1 VAL 6 -3.159 4.706 6.495 38 2HG1 VAL 6 2HG1 VAL 6 -1.644 5.101 7.307 39 3HG1 VAL 6 3HG1 VAL 6 -1.924 5.641 5.651 40 1HG2 VAL 6 1HG2 VAL 6 -2.395 8.699 7.734 41 2HG2 VAL 6 2HG2 VAL 6 -1.339 7.941 6.541 42 3HG2 VAL 6 3HG2 VAL 6 -1.293 7.411 8.222 43 H VAL 7 H VAL 7 -5.508 6.174 7.839 44 HA VAL 7 HA VAL 7 -6.332 3.903 6.390 45 HB VAL 7 HB VAL 7 -7.635 5.153 8.808 46 1HG1 VAL 7 1HG1 VAL 7 -8.475 2.879 9.238 47 2HG1 VAL 7 2HG1 VAL 7 -7.802 2.353 7.695 48 3HG1 VAL 7 3HG1 VAL 7 -9.099 3.547 7.730 49 1HG2 VAL 7 1HG2 VAL 7 -6.285 3.567 10.101 50 2HG2 VAL 7 2HG2 VAL 7 -5.278 4.698 9.196 51 3HG2 VAL 7 3HG2 VAL 7 -5.487 3.045 8.617 52 H ALA 8 H ALA 8 -8.345 6.650 7.446 53 HA ALA 8 HA ALA 8 -10.590 5.859 5.955 54 1HB ALA 8 1HB ALA 8 -11.505 8.043 6.491 55 2HB ALA 8 2HB ALA 8 -9.909 8.607 6.984 56 3HB ALA 8 3HB ALA 8 -10.715 7.333 7.899 57 H LYS 9 H LYS 9 -7.734 7.578 4.931 58 HA LYS 9 HA LYS 9 -9.152 8.700 2.640 59 1HB LYS 9 1HB LYS 9 -6.790 9.387 4.071 60 2HB LYS 9 2HB LYS 9 -6.371 9.129 2.385 61 1HG LYS 9 1HG LYS 9 -6.880 11.422 2.624 62 2HG LYS 9 2HG LYS 9 -8.244 10.686 1.784 63 1HD LYS 9 1HD LYS 9 -9.483 10.583 3.896 64 2HD LYS 9 2HD LYS 9 -8.114 11.321 4.731 65 1HE LYS 9 1HE LYS 9 -9.776 12.567 2.546 66 2HE LYS 9 2HE LYS 9 -9.802 12.994 4.256 67 1HZ LYS 9 1HZ LYS 9 -7.495 13.703 4.070 68 2HZ LYS 9 2HZ LYS 9 -8.475 14.555 2.987 69 3HZ LYS 9 3HZ LYS 9 -7.484 13.306 2.426 70 H TYR 10 H TYR 10 -6.273 6.627 3.102 71 HA TYR 10 HA TYR 10 -5.909 5.924 0.445 72 1HB TYR 10 1HB TYR 10 -5.228 4.592 3.033 73 2HB TYR 10 2HB TYR 10 -5.002 3.701 1.532 74 HD1 TYR 10 1HD TYR 10 -3.713 5.083 -0.347 75 HD2 TYR 10 2HD TYR 10 -3.439 5.814 3.834 76 HE1 TYR 10 1HE TYR 10 -1.542 6.187 -0.688 77 HE2 TYR 10 2HE TYR 10 -1.270 6.921 3.504 78 HH TYR 10 HH TYR 10 0.558 6.941 1.873 79 H MET 11 H MET 11 -7.789 4.216 2.922 80 HA MET 11 HA MET 11 -8.697 2.094 1.377 81 1HB MET 11 1HB MET 11 -8.963 2.260 3.823 82 2HB MET 11 2HB MET 11 -10.145 3.537 3.607 83 1HG MET 11 1HG MET 11 -11.283 1.484 4.064 84 2HG MET 11 2HG MET 11 -11.593 1.955 2.394 85 1HE MET 11 1HE MET 11 -9.804 -0.517 4.804 86 2HE MET 11 2HE MET 11 -8.415 0.235 4.020 87 3HE MET 11 3HE MET 11 -8.791 -1.461 3.713 88 H GLU 12 H GLU 12 -10.000 5.344 1.766 89 HA GLU 12 HA GLU 12 -12.299 4.815 0.116 90 1HB GLU 12 1HB GLU 12 -12.320 6.435 2.003 91 2HB GLU 12 2HB GLU 12 -11.224 7.464 1.091 92 1HG GLU 12 1HG GLU 12 -12.960 7.551 -0.715 93 2HG GLU 12 2HG GLU 12 -14.054 6.730 0.397 94 H TYR 13 H TYR 13 -9.059 5.977 -0.413 95 HA TYR 13 HA TYR 13 -9.466 7.482 -2.732 96 1HB TYR 13 1HB TYR 13 -7.321 7.122 -1.289 97 2HB TYR 13 2HB TYR 13 -7.018 5.788 -2.396 98 HD1 TYR 13 1HD TYR 13 -7.045 9.392 -1.978 99 HD2 TYR 13 2HD TYR 13 -6.661 6.238 -4.808 100 HE1 TYR 13 1HE TYR 13 -6.089 10.973 -3.600 101 HE2 TYR 13 2HE TYR 13 -5.700 7.811 -6.437 102 HH TYR 13 HH TYR 13 -4.651 10.925 -5.590 103 H LEU 14 H LEU 14 -9.393 4.031 -2.229 104 HA LEU 14 HA LEU 14 -10.221 3.638 -4.994 105 1HB LEU 14 1HB LEU 14 -7.829 2.259 -3.780 106 2HB LEU 14 2HB LEU 14 -8.618 1.733 -5.251 107 HG LEU 14 HG LEU 14 -7.315 4.434 -4.890 108 1HD1 LEU 14 1HD1 LEU 14 -5.537 3.561 -6.317 109 2HD1 LEU 14 2HD1 LEU 14 -6.308 1.973 -6.314 110 3HD1 LEU 14 3HD1 LEU 14 -5.662 2.643 -4.814 111 1HD2 LEU 14 1HD2 LEU 14 -7.533 4.576 -7.330 112 2HD2 LEU 14 2HD2 LEU 14 -9.104 4.443 -6.539 113 3HD2 LEU 14 3HD2 LEU 14 -8.399 3.038 -7.338 114 H MET 15 H MET 15 -11.715 3.432 -2.596 115 HA MET 15 HA MET 15 -11.861 0.839 -1.559 116 1HB MET 15 1HB MET 15 -12.931 2.538 -0.332 117 2HB MET 15 2HB MET 15 -13.847 3.089 -1.725 118 1HG MET 15 1HG MET 15 -15.152 1.035 -1.676 119 2HG MET 15 2HG MET 15 -14.245 0.487 -0.269 120 1HE MET 15 1HE MET 15 -14.334 1.700 2.105 121 2HE MET 15 2HE MET 15 -15.290 3.145 2.425 122 3HE MET 15 3HE MET 15 -13.902 3.229 1.345 123 HA PRO 16 HA PRO 16 -15.366 0.005 -4.842 124 1HB PRO 16 1HB PRO 16 -14.634 1.862 -7.013 125 2HB PRO 16 2HB PRO 16 -16.224 1.484 -6.345 126 1HG PRO 16 1HG PRO 16 -15.032 3.839 -5.878 127 2HG PRO 16 2HG PRO 16 -16.034 3.042 -4.652 128 1HD PRO 16 1HD PRO 16 -13.053 3.180 -4.868 129 2HD PRO 16 2HD PRO 16 -14.087 3.292 -3.431 130 H ASP 17 H ASP 17 -12.081 0.872 -5.612 131 HA ASP 17 HA ASP 17 -11.907 -1.013 -7.809 132 1HB ASP 17 1HB ASP 17 -9.764 0.659 -6.485 133 2HB ASP 17 2HB ASP 17 -9.561 -0.285 -7.956 134 H ILE 18 H ILE 18 -11.689 -1.164 -4.460 135 HA ILE 18 HA ILE 18 -9.709 -3.289 -4.385 136 HB ILE 18 HB ILE 18 -11.332 -1.918 -2.249 137 1HG1 ILE 18 1HG1 ILE 18 -8.341 -2.136 -2.614 138 2HG1 ILE 18 2HG1 ILE 18 -9.302 -0.803 -3.247 139 1HG2 ILE 18 1HG2 ILE 18 -9.482 -4.279 -1.935 140 2HG2 ILE 18 2HG2 ILE 18 -11.207 -4.223 -1.569 141 3HG2 ILE 18 3HG2 ILE 18 -10.068 -3.283 -0.603 142 1HD1 ILE 18 1HD1 ILE 18 -10.011 -0.274 -0.947 143 2HD1 ILE 18 2HD1 ILE 18 -8.266 -0.157 -1.181 144 3HD1 ILE 18 3HD1 ILE 18 -8.953 -1.556 -0.356 145 H MET 19 H MET 19 -13.165 -2.915 -4.397 146 HA MET 19 HA MET 19 -14.100 -5.211 -3.253 147 1HB MET 19 1HB MET 19 -15.119 -3.986 -5.820 148 2HB MET 19 2HB MET 19 -16.017 -5.078 -4.776 149 1HG MET 19 1HG MET 19 -15.804 -3.395 -2.954 150 2HG MET 19 2HG MET 19 -15.089 -2.293 -4.129 151 1HE MET 19 1HE MET 19 -16.394 -1.369 -6.273 152 2HE MET 19 2HE MET 19 -18.052 -1.820 -6.670 153 3HE MET 19 3HE MET 19 -16.766 -3.024 -6.756 154 HA PRO 20 HA PRO 20 -13.460 -7.414 -7.752 155 1HB PRO 20 1HB PRO 20 -10.694 -6.262 -7.863 156 2HB PRO 20 2HB PRO 20 -11.739 -6.804 -9.185 157 1HG PRO 20 1HG PRO 20 -11.499 -4.214 -8.629 158 2HG PRO 20 2HG PRO 20 -13.065 -4.904 -9.095 159 1HD PRO 20 1HD PRO 20 -12.126 -3.972 -6.442 160 2HD PRO 20 2HD PRO 20 -13.772 -4.047 -7.097 161 H CYS 21 H CYS 21 -10.501 -6.780 -5.830 162 HA CYS 21 HA CYS 21 -9.985 -9.635 -5.659 163 1HB CYS 21 1HB CYS 21 -8.469 -7.189 -4.783 164 2HB CYS 21 2HB CYS 21 -7.969 -8.809 -4.313 165 H ALA 22 H ALA 22 -11.522 -7.229 -3.788 166 HA ALA 22 HA ALA 22 -11.124 -8.374 -1.216 167 1HB ALA 22 1HB ALA 22 -13.362 -6.590 -2.177 168 2HB ALA 22 2HB ALA 22 -11.820 -6.043 -1.523 169 3HB ALA 22 3HB ALA 22 -12.949 -6.926 -0.497 170 H ASP 23 H ASP 23 -12.854 -9.392 -3.900 171 HA ASP 23 HA ASP 23 -14.985 -10.733 -2.476 172 1HB ASP 23 1HB ASP 23 -15.488 -9.906 -4.684 173 2HB ASP 23 2HB ASP 23 -14.127 -10.785 -5.376 174 H GLU 24 H GLU 24 -12.241 -11.811 -4.497 175 HA GLU 24 HA GLU 24 -12.484 -14.513 -3.561 176 1HB GLU 24 1HB GLU 24 -10.815 -13.041 -5.525 177 2HB GLU 24 2HB GLU 24 -10.172 -14.539 -4.881 178 1HG GLU 24 1HG GLU 24 -12.176 -15.723 -5.628 179 2HG GLU 24 2HG GLU 24 -12.816 -14.213 -6.273 180 H LEU 25 H LEU 25 -10.067 -11.944 -3.283 181 HA LEU 25 HA LEU 25 -8.611 -13.401 -1.227 182 1HB LEU 25 1HB LEU 25 -8.129 -10.648 -2.323 183 2HB LEU 25 2HB LEU 25 -6.998 -11.610 -1.392 184 HG LEU 25 HG LEU 25 -7.971 -12.276 -4.176 185 1HD1 LEU 25 1HD1 LEU 25 -6.521 -10.312 -4.145 186 2HD1 LEU 25 2HD1 LEU 25 -5.713 -11.693 -4.884 187 3HD1 LEU 25 3HD1 LEU 25 -5.309 -11.215 -3.236 188 1HD2 LEU 25 1HD2 LEU 25 -7.445 -14.282 -2.949 189 2HD2 LEU 25 2HD2 LEU 25 -5.924 -13.587 -2.391 190 3HD2 LEU 25 3HD2 LEU 25 -6.150 -13.956 -4.101 191 H HIS 26 H HIS 26 -11.210 -12.694 -0.522 192 HA HIS 26 HA HIS 26 -11.502 -10.275 0.852 193 1HB HIS 26 1HB HIS 26 -13.399 -11.413 2.011 194 2HB HIS 26 2HB HIS 26 -13.443 -11.551 0.258 195 HD1 HIS 26 1HD HIS 26 -13.435 -13.546 3.328 196 HD2 HIS 26 2HD HIS 26 -12.669 -14.178 -0.708 197 HE1 HIS 26 1HE HIS 26 -13.516 -16.039 3.009 198 HE2 HIS 26 2HE HIS 26 -13.032 -16.401 0.564 199 H ILE 27 H ILE 27 -9.321 -10.291 1.854 200 HA ILE 27 HA ILE 27 -9.574 -10.981 4.653 201 HB ILE 27 HB ILE 27 -6.923 -11.747 3.585 202 1HG1 ILE 27 1HG1 ILE 27 -9.204 -13.709 3.391 203 2HG1 ILE 27 2HG1 ILE 27 -8.617 -12.803 1.998 204 1HG2 ILE 27 1HG2 ILE 27 -8.739 -13.027 5.619 205 2HG2 ILE 27 2HG2 ILE 27 -7.540 -11.786 5.971 206 3HG2 ILE 27 3HG2 ILE 27 -7.023 -13.362 5.372 207 1HD1 ILE 27 1HD1 ILE 27 -7.666 -15.030 2.057 208 2HD1 ILE 27 2HD1 ILE 27 -7.013 -14.727 3.668 209 3HD1 ILE 27 3HD1 ILE 27 -6.410 -13.813 2.285 210 H SER 28 H SER 28 -9.663 -8.503 3.501 211 HA SER 28 HA SER 28 -7.362 -7.087 3.058 212 1HB SER 28 1HB SER 28 -8.647 -5.143 4.225 213 2HB SER 28 2HB SER 28 -9.300 -5.846 2.744 214 HG SER 28 HG SER 28 -11.016 -5.980 4.001 215 H GLU 29 H GLU 29 -6.102 -5.666 4.379 216 HA GLU 29 HA GLU 29 -4.713 -6.813 6.380 217 1HB GLU 29 1HB GLU 29 -5.182 -4.037 5.538 218 2HB GLU 29 2HB GLU 29 -4.583 -4.216 7.183 219 1HG GLU 29 1HG GLU 29 -2.615 -5.238 6.483 220 2HG GLU 29 2HG GLU 29 -3.255 -5.610 4.883 221 H ASP 30 H ASP 30 -7.868 -5.386 6.710 222 HA ASP 30 HA ASP 30 -7.800 -5.086 9.544 223 1HB ASP 30 1HB ASP 30 -10.119 -5.296 7.616 224 2HB ASP 30 2HB ASP 30 -10.295 -4.929 9.329 225 H ILE 31 H ILE 31 -9.715 -7.376 7.591 226 HA ILE 31 HA ILE 31 -10.084 -9.158 9.808 227 HB ILE 31 HB ILE 31 -10.581 -9.794 6.905 228 1HG1 ILE 31 1HG1 ILE 31 -11.617 -7.626 7.423 229 2HG1 ILE 31 2HG1 ILE 31 -12.838 -8.872 7.183 230 1HG2 ILE 31 1HG2 ILE 31 -12.390 -11.198 7.847 231 2HG2 ILE 31 2HG2 ILE 31 -11.828 -10.780 9.466 232 3HG2 ILE 31 3HG2 ILE 31 -10.781 -11.688 8.375 233 1HD1 ILE 31 1HD1 ILE 31 -13.417 -7.434 9.042 234 2HD1 ILE 31 2HD1 ILE 31 -11.886 -7.807 9.832 235 3HD1 ILE 31 3HD1 ILE 31 -13.094 -9.074 9.609 236 H ALA 32 H ALA 32 -7.512 -8.582 7.828 237 HA ALA 32 HA ALA 32 -6.559 -11.149 7.165 238 1HB ALA 32 1HB ALA 32 -4.417 -10.052 6.811 239 2HB ALA 32 2HB ALA 32 -4.995 -8.621 7.658 240 3HB ALA 32 3HB ALA 32 -5.730 -9.097 6.129 241 H THR 33 H THR 33 -6.914 -9.681 10.173 242 HA THR 33 HA THR 33 -4.697 -10.346 11.653 243 HB THR 33 HB THR 33 -7.569 -10.613 12.568 244 HG1 THR 33 1HG THR 33 -7.302 -8.528 11.903 245 1HG2 THR 33 1HG2 THR 33 -5.021 -10.195 14.138 246 2HG2 THR 33 2HG2 THR 33 -6.002 -11.660 14.121 247 3HG2 THR 33 3HG2 THR 33 -6.652 -10.171 14.807 248 H ASN 34 H ASN 34 -7.590 -12.360 11.995 249 HA ASN 34 HA ASN 34 -7.920 -14.597 12.050 250 1HB ASN 34 1HB ASN 34 -6.663 -14.669 9.911 251 2HB ASN 34 2HB ASN 34 -5.169 -14.857 10.821 252 1HD2 ASN 34 1HD2 ASN 34 -6.347 -16.632 8.865 253 2HD2 ASN 34 2HD2 ASN 34 -6.598 -18.145 9.662 254 H ILE 35 H ILE 35 -4.444 -14.932 12.456 255 HA ILE 35 HA ILE 35 -4.522 -14.828 15.293 256 HB ILE 35 HB ILE 35 -5.626 -17.086 14.485 257 1HG1 ILE 35 1HG1 ILE 35 -3.607 -16.996 16.728 258 2HG1 ILE 35 2HG1 ILE 35 -5.211 -16.263 16.780 259 1HG2 ILE 35 1HG2 ILE 35 -4.150 -18.932 14.285 260 2HG2 ILE 35 2HG2 ILE 35 -2.746 -17.937 14.661 261 3HG2 ILE 35 3HG2 ILE 35 -3.601 -17.710 13.138 262 1HD1 ILE 35 1HD1 ILE 35 -5.210 -18.389 17.931 263 2HD1 ILE 35 2HD1 ILE 35 -4.598 -19.196 16.487 264 3HD1 ILE 35 3HD1 ILE 35 -6.211 -18.485 16.482 265 H GLN 36 H GLN 36 -2.962 -13.964 12.891 266 HA GLN 36 HA GLN 36 -0.314 -14.743 13.877 267 1HB GLN 36 1HB GLN 36 -0.980 -14.411 10.948 268 2HB GLN 36 2HB GLN 36 0.555 -14.922 11.635 269 1HG GLN 36 1HG GLN 36 -0.437 -16.983 12.412 270 2HG GLN 36 2HG GLN 36 -2.021 -16.467 11.833 271 1HE2 GLN 36 1HE2 GLN 36 -0.467 -18.824 11.124 272 2HE2 GLN 36 2HE2 GLN 36 -0.232 -18.752 9.414 273 H ALA 37 H ALA 37 0.438 -12.918 14.735 274 HA ALA 37 HA ALA 37 -0.424 -10.336 14.057 275 1HB ALA 37 1HB ALA 37 0.549 -10.870 16.212 276 2HB ALA 37 2HB ALA 37 1.413 -9.539 15.437 277 3HB ALA 37 3HB ALA 37 2.113 -11.160 15.449 278 H ALA 38 H ALA 38 1.555 -12.392 12.318 279 HA ALA 38 HA ALA 38 3.164 -12.089 10.689 280 1HB ALA 38 1HB ALA 38 0.915 -10.209 10.082 281 2HB ALA 38 2HB ALA 38 1.273 -11.781 9.369 282 3HB ALA 38 3HB ALA 38 2.276 -10.386 8.979 283 H LYS 39 H LYS 39 2.568 -8.822 9.982 284 HA LYS 39 HA LYS 39 5.183 -8.071 11.037 285 1HB LYS 39 1HB LYS 39 4.730 -7.528 8.702 286 2HB LYS 39 2HB LYS 39 3.296 -6.624 9.168 287 1HG LYS 39 1HG LYS 39 5.148 -5.138 8.652 288 2HG LYS 39 2HG LYS 39 4.684 -5.006 10.349 289 1HD LYS 39 1HD LYS 39 6.545 -6.482 10.965 290 2HD LYS 39 2HD LYS 39 7.012 -6.596 9.268 291 1HE LYS 39 1HE LYS 39 7.424 -4.190 9.214 292 2HE LYS 39 2HE LYS 39 6.930 -4.062 10.902 293 1HZ LYS 39 1HZ LYS 39 9.254 -5.613 9.892 294 2HZ LYS 39 2HZ LYS 39 8.780 -5.497 11.511 295 3HZ LYS 39 3HZ LYS 39 9.333 -4.124 10.690 296 H ASN 40 H ASN 40 1.957 -6.611 10.837 297 HA ASN 40 HA ASN 40 2.273 -5.594 13.579 298 1HB ASN 40 1HB ASN 40 1.173 -3.537 13.001 299 2HB ASN 40 2HB ASN 40 2.485 -3.768 11.851 300 1HD2 ASN 40 1HD2 ASN 40 1.123 -5.752 10.275 301 2HD2 ASN 40 2HD2 ASN 40 -0.116 -4.931 9.400 302 H GLY 41 H GLY 41 0.825 -7.754 11.767 303 1HA GLY 41 1HA GLY 41 -0.922 -9.168 12.451 304 2HA GLY 41 2HA GLY 41 -1.577 -7.856 13.423 305 H ALA 42 H ALA 42 -1.067 -6.117 10.953 306 HA ALA 42 HA ALA 42 -3.697 -6.528 9.789 307 1HB ALA 42 1HB ALA 42 -2.926 -4.284 10.504 308 2HB ALA 42 2HB ALA 42 -3.430 -4.368 8.813 309 3HB ALA 42 3HB ALA 42 -1.714 -4.346 9.220 310 H ASP 43 H ASP 43 -0.434 -5.914 8.502 311 HA ASP 43 HA ASP 43 -1.262 -7.242 6.021 312 1HB ASP 43 1HB ASP 43 0.689 -5.933 5.032 313 2HB ASP 43 2HB ASP 43 -0.740 -5.022 5.497 314 H MET 44 H MET 44 0.377 -8.320 4.783 315 HA MET 44 HA MET 44 2.880 -9.088 5.750 316 1HB MET 44 1HB MET 44 1.295 -10.338 7.345 317 2HB MET 44 2HB MET 44 0.923 -11.358 5.963 318 1HG MET 44 1HG MET 44 2.624 -12.390 7.333 319 2HG MET 44 2HG MET 44 3.290 -11.946 5.760 320 1HE MET 44 1HE MET 44 5.720 -12.331 6.785 321 2HE MET 44 2HE MET 44 5.044 -12.692 8.373 322 3HE MET 44 3HE MET 44 6.326 -11.492 8.213 323 H SER 45 H SER 45 2.387 -11.918 4.602 324 HA SER 45 HA SER 45 2.956 -11.191 1.884 325 1HB SER 45 1HB SER 45 4.089 -13.083 3.056 326 2HB SER 45 2HB SER 45 2.551 -13.945 3.078 327 HG SER 45 HG SER 45 3.428 -14.674 1.263 328 H GLN 46 H GLN 46 0.435 -13.072 3.515 329 HA GLN 46 HA GLN 46 -1.159 -13.245 1.127 330 1HB GLN 46 1HB GLN 46 -1.074 -15.043 2.882 331 2HB GLN 46 2HB GLN 46 -1.952 -13.960 3.953 332 1HG GLN 46 1HG GLN 46 -3.408 -15.610 2.864 333 2HG GLN 46 2HG GLN 46 -3.847 -13.949 2.469 334 1HE2 GLN 46 1HE2 GLN 46 -3.436 -13.160 0.391 335 2HE2 GLN 46 2HE2 GLN 46 -3.143 -14.215 -0.944 336 H LEU 47 H LEU 47 -0.845 -11.134 3.831 337 HA LEU 47 HA LEU 47 -3.444 -9.929 3.419 338 1HB LEU 47 1HB LEU 47 -1.460 -8.559 5.119 339 2HB LEU 47 2HB LEU 47 -3.148 -8.883 5.432 340 HG LEU 47 HG LEU 47 -0.801 -10.702 5.873 341 1HD1 LEU 47 1HD1 LEU 47 -2.899 -9.671 7.752 342 2HD1 LEU 47 2HD1 LEU 47 -1.238 -9.094 7.630 343 3HD1 LEU 47 3HD1 LEU 47 -1.562 -10.742 8.167 344 1HD2 LEU 47 1HD2 LEU 47 -2.509 -12.356 6.710 345 2HD2 LEU 47 2HD2 LEU 47 -2.439 -12.159 4.962 346 3HD2 LEU 47 3HD2 LEU 47 -3.730 -11.389 5.882 347 H GLY 48 H GLY 48 -0.024 -9.256 2.892 348 1HA GLY 48 1HA GLY 48 -0.400 -6.674 1.790 349 2HA GLY 48 2HA GLY 48 1.012 -7.697 1.573 350 H CYS 49 H CYS 49 -1.217 -9.742 0.690 351 HA CYS 49 HA CYS 49 -0.756 -9.410 -2.096 352 1HB CYS 49 1HB CYS 49 -1.642 -11.477 -0.386 353 2HB CYS 49 2HB CYS 49 -2.863 -11.248 -1.628 354 H LEU 50 H LEU 50 -3.898 -9.737 -0.407 355 HA LEU 50 HA LEU 50 -5.488 -8.743 -2.451 356 1HB LEU 50 1HB LEU 50 -6.621 -9.682 -0.604 357 2HB LEU 50 2HB LEU 50 -5.787 -8.652 0.542 358 HG LEU 50 HG LEU 50 -7.035 -6.698 -0.353 359 1HD1 LEU 50 1HD1 LEU 50 -8.994 -7.097 -1.763 360 2HD1 LEU 50 2HD1 LEU 50 -8.529 -8.791 -1.921 361 3HD1 LEU 50 3HD1 LEU 50 -7.495 -7.527 -2.585 362 1HD2 LEU 50 1HD2 LEU 50 -8.849 -7.049 0.984 363 2HD2 LEU 50 2HD2 LEU 50 -7.798 -8.353 1.541 364 3HD2 LEU 50 3HD2 LEU 50 -9.101 -8.692 0.401 365 H LYS 51 H LYS 51 -3.535 -7.134 -0.069 366 HA LYS 51 HA LYS 51 -4.449 -4.491 -0.640 367 1HB LYS 51 1HB LYS 51 -3.283 -5.367 1.493 368 2HB LYS 51 2HB LYS 51 -1.787 -5.188 0.588 369 1HG LYS 51 1HG LYS 51 -1.780 -3.142 1.501 370 2HG LYS 51 2HG LYS 51 -2.886 -2.762 0.179 371 1HD LYS 51 1HD LYS 51 -3.792 -3.702 2.894 372 2HD LYS 51 2HD LYS 51 -3.634 -2.002 2.455 373 1HE LYS 51 1HE LYS 51 -5.854 -2.342 2.001 374 2HE LYS 51 2HE LYS 51 -5.148 -2.720 0.431 375 1HZ LYS 51 1HZ LYS 51 -6.755 -4.388 1.059 376 2HZ LYS 51 2HZ LYS 51 -5.938 -4.690 2.508 377 3HZ LYS 51 3HZ LYS 51 -5.211 -5.074 1.031 378 H ALA 52 H ALA 52 -2.032 -6.673 -1.900 379 HA ALA 52 HA ALA 52 -0.535 -4.674 -3.329 380 1HB ALA 52 1HB ALA 52 -0.648 -7.675 -3.619 381 2HB ALA 52 2HB ALA 52 0.567 -6.729 -2.757 382 3HB ALA 52 3HB ALA 52 0.455 -6.628 -4.514 383 H CYS 53 H CYS 53 -3.412 -6.500 -3.878 384 HA CYS 53 HA CYS 53 -3.537 -6.461 -6.678 385 1HB CYS 53 1HB CYS 53 -5.063 -7.826 -5.398 386 2HB CYS 53 2HB CYS 53 -5.740 -6.407 -4.608 387 H VAL 54 H VAL 54 -4.223 -4.019 -4.281 388 HA VAL 54 HA VAL 54 -5.655 -2.242 -5.964 389 HB VAL 54 HB VAL 54 -3.998 -1.373 -3.605 390 1HG1 VAL 54 1HG1 VAL 54 -5.042 0.394 -4.894 391 2HG1 VAL 54 2HG1 VAL 54 -5.829 0.246 -3.322 392 3HG1 VAL 54 3HG1 VAL 54 -6.608 -0.406 -4.763 393 1HG2 VAL 54 1HG2 VAL 54 -5.209 -3.351 -2.891 394 2HG2 VAL 54 2HG2 VAL 54 -6.712 -2.691 -3.538 395 3HG2 VAL 54 3HG2 VAL 54 -5.923 -1.908 -2.168 396 H MET 55 H MET 55 -2.302 -2.956 -5.536 397 HA MET 55 HA MET 55 -1.232 -0.530 -6.556 398 1HB MET 55 1HB MET 55 0.006 -3.286 -6.542 399 2HB MET 55 2HB MET 55 0.862 -1.770 -6.774 400 1HG MET 55 1HG MET 55 0.234 -1.093 -4.499 401 2HG MET 55 2HG MET 55 -0.559 -2.651 -4.274 402 1HE MET 55 1HE MET 55 2.672 -2.963 -2.054 403 2HE MET 55 2HE MET 55 0.913 -3.087 -2.081 404 3HE MET 55 3HE MET 55 1.689 -1.521 -2.311 405 H LYS 56 H LYS 56 -1.509 -3.756 -8.028 406 HA LYS 56 HA LYS 56 -0.686 -3.040 -10.595 407 1HB LYS 56 1HB LYS 56 -2.716 -5.145 -10.565 408 2HB LYS 56 2HB LYS 56 -1.043 -5.201 -11.103 409 1HG LYS 56 1HG LYS 56 -0.335 -5.431 -8.747 410 2HG LYS 56 2HG LYS 56 -2.028 -5.476 -8.272 411 1HD LYS 56 1HD LYS 56 -0.765 -7.413 -10.207 412 2HD LYS 56 2HD LYS 56 -0.960 -7.724 -8.481 413 1HE LYS 56 1HE LYS 56 -3.377 -7.502 -8.703 414 2HE LYS 56 2HE LYS 56 -3.197 -7.144 -10.420 415 1HZ LYS 56 1HZ LYS 56 -2.423 -9.690 -9.102 416 2HZ LYS 56 2HZ LYS 56 -2.271 -9.347 -10.750 417 3HZ LYS 56 3HZ LYS 56 -3.805 -9.453 -10.047 418 H ARG 57 H ARG 57 -3.638 -2.381 -8.993 419 HA ARG 57 HA ARG 57 -5.297 -2.187 -11.308 420 1HB ARG 57 1HB ARG 57 -6.154 -2.531 -8.992 421 2HB ARG 57 2HB ARG 57 -5.689 -0.879 -8.614 422 1HG ARG 57 1HG ARG 57 -7.991 -0.811 -9.066 423 2HG ARG 57 2HG ARG 57 -7.205 -0.155 -10.503 424 1HD ARG 57 1HD ARG 57 -8.043 -3.037 -10.249 425 2HD ARG 57 2HD ARG 57 -9.090 -1.785 -10.916 426 HE ARG 57 HE ARG 57 -6.647 -1.691 -12.269 427 1HH1 ARG 57 1HH1 ARG 57 -9.374 -3.832 -11.887 428 2HH1 ARG 57 2HH1 ARG 57 -9.199 -4.540 -13.459 429 1HH2 ARG 57 1HH2 ARG 57 -6.417 -2.618 -14.340 430 2HH2 ARG 57 2HH2 ARG 57 -7.522 -3.851 -14.851 431 H ILE 58 H ILE 58 -3.164 0.013 -9.621 432 HA ILE 58 HA ILE 58 -3.961 2.154 -11.481 433 HB ILE 58 HB ILE 58 -2.898 3.726 -9.869 434 1HG1 ILE 58 1HG1 ILE 58 -2.857 1.327 -8.023 435 2HG1 ILE 58 2HG1 ILE 58 -1.430 2.027 -8.779 436 1HG2 ILE 58 1HG2 ILE 58 -5.305 3.398 -9.891 437 2HG2 ILE 58 2HG2 ILE 58 -4.736 3.656 -8.243 438 3HG2 ILE 58 3HG2 ILE 58 -5.147 2.031 -8.789 439 1HD1 ILE 58 1HD1 ILE 58 -1.845 4.128 -7.596 440 2HD1 ILE 58 2HD1 ILE 58 -1.643 2.770 -6.489 441 3HD1 ILE 58 3HD1 ILE 58 -3.255 3.404 -6.823 442 H GLU 59 H GLU 59 -2.155 0.024 -12.177 443 HA GLU 59 HA GLU 59 -0.191 -0.305 -13.263 444 1HB GLU 59 1HB GLU 59 -0.158 2.716 -13.287 445 2HB GLU 59 2HB GLU 59 0.957 1.704 -14.195 446 1HG GLU 59 1HG GLU 59 -0.947 0.730 -15.406 447 2HG GLU 59 2HG GLU 59 -2.033 1.802 -14.526 448 H MET 60 H MET 60 -0.342 0.505 -10.219 449 HA MET 60 HA MET 60 2.340 1.362 -9.667 450 1HB MET 60 1HB MET 60 0.474 1.916 -8.163 451 2HB MET 60 2HB MET 60 0.238 0.209 -7.822 452 1HG MET 60 1HG MET 60 2.460 0.103 -6.813 453 2HG MET 60 2HG MET 60 2.693 1.816 -7.153 454 1HE MET 60 1HE MET 60 2.923 0.317 -4.220 455 2HE MET 60 2HE MET 60 2.263 1.628 -3.241 456 3HE MET 60 3HE MET 60 3.363 1.987 -4.572 457 H LEU 61 H LEU 61 1.045 -1.529 -10.656 458 HA LEU 61 HA LEU 61 3.450 -2.962 -9.938 459 1HB LEU 61 1HB LEU 61 1.762 -3.274 -8.054 460 2HB LEU 61 2HB LEU 61 0.788 -4.163 -9.202 461 HG LEU 61 HG LEU 61 3.623 -4.987 -8.675 462 1HD1 LEU 61 1HD1 LEU 61 2.762 -6.539 -6.963 463 2HD1 LEU 61 2HD1 LEU 61 1.196 -5.733 -7.051 464 3HD1 LEU 61 3HD1 LEU 61 2.613 -4.848 -6.484 465 1HD2 LEU 61 1HD2 LEU 61 1.142 -6.419 -9.598 466 2HD2 LEU 61 2HD2 LEU 61 2.674 -7.209 -9.234 467 3HD2 LEU 61 3HD2 LEU 61 2.575 -6.039 -10.551 468 H LYS 62 H LYS 62 3.976 -3.297 -12.043 469 HA LYS 62 HA LYS 62 1.997 -4.297 -13.915 470 1HB LYS 62 1HB LYS 62 4.933 -3.639 -14.207 471 2HB LYS 62 2HB LYS 62 3.948 -4.271 -15.518 472 1HG LYS 62 1HG LYS 62 2.953 -1.854 -14.126 473 2HG LYS 62 2HG LYS 62 4.372 -1.674 -15.159 474 1HD LYS 62 1HD LYS 62 2.506 -1.228 -16.539 475 2HD LYS 62 2HD LYS 62 3.042 -2.854 -16.964 476 1HE LYS 62 1HE LYS 62 1.287 -3.808 -15.569 477 2HE LYS 62 2HE LYS 62 0.770 -2.191 -15.094 478 1HZ LYS 62 1HZ LYS 62 0.714 -3.277 -17.859 479 2HZ LYS 62 2HZ LYS 62 0.205 -1.732 -17.396 480 3HZ LYS 62 3HZ LYS 62 -0.629 -3.097 -16.844 481 H GLY 63 H GLY 63 1.590 -6.268 -12.697 482 1HA GLY 63 1HA GLY 63 1.742 -8.584 -12.741 483 2HA GLY 63 2HA GLY 63 3.230 -8.434 -13.662 484 H THR 64 H THR 64 4.999 -7.268 -12.257 485 HA THR 64 HA THR 64 5.002 -8.064 -9.483 486 HB THR 64 HB THR 64 7.201 -9.294 -9.755 487 HG1 THR 64 1HG THR 64 7.932 -9.085 -11.749 488 1HG2 THR 64 1HG2 THR 64 6.158 -11.424 -10.314 489 2HG2 THR 64 2HG2 THR 64 4.781 -10.581 -11.022 490 3HG2 THR 64 3HG2 THR 64 5.089 -10.464 -9.290 491 H GLU 65 H GLU 65 5.484 -5.787 -11.581 492 HA GLU 65 HA GLU 65 8.089 -4.849 -10.629 493 1HB GLU 65 1HB GLU 65 6.302 -3.679 -12.760 494 2HB GLU 65 2HB GLU 65 7.968 -3.236 -12.427 495 1HG GLU 65 1HG GLU 65 7.020 -5.898 -13.457 496 2HG GLU 65 2HG GLU 65 7.817 -4.638 -14.398 497 H LEU 66 H LEU 66 7.956 -3.755 -8.749 498 HA LEU 66 HA LEU 66 5.676 -2.336 -7.875 499 1HB LEU 66 1HB LEU 66 8.509 -1.861 -6.962 500 2HB LEU 66 2HB LEU 66 7.036 -1.551 -6.068 501 HG LEU 66 HG LEU 66 7.744 -3.454 -5.040 502 1HD1 LEU 66 1HD1 LEU 66 6.259 -4.657 -7.362 503 2HD1 LEU 66 2HD1 LEU 66 5.509 -3.881 -5.967 504 3HD1 LEU 66 3HD1 LEU 66 6.452 -5.356 -5.754 505 1HD2 LEU 66 1HD2 LEU 66 9.534 -3.645 -7.070 506 2HD2 LEU 66 2HD2 LEU 66 8.567 -5.106 -7.298 507 3HD2 LEU 66 3HD2 LEU 66 9.358 -4.802 -5.752 508 H TYR 67 H TYR 67 5.271 -0.114 -7.772 509 HA TYR 67 HA TYR 67 7.041 1.640 -9.321 510 1HB TYR 67 1HB TYR 67 4.148 1.078 -9.836 511 2HB TYR 67 2HB TYR 67 4.778 2.690 -10.162 512 HD1 TYR 67 1HD TYR 67 4.791 -0.813 -11.199 513 HD2 TYR 67 2HD TYR 67 6.427 3.046 -11.928 514 HE1 TYR 67 1HE TYR 67 5.630 -1.585 -13.378 515 HE2 TYR 67 2HE TYR 67 7.270 2.285 -14.109 516 HH TYR 67 HH TYR 67 6.292 -0.635 -15.540 517 H VAL 68 H VAL 68 6.464 3.979 -9.021 518 HA VAL 68 HA VAL 68 5.160 4.529 -6.460 519 HB VAL 68 HB VAL 68 7.058 6.130 -5.936 520 1HG1 VAL 68 1HG1 VAL 68 8.427 4.381 -4.904 521 2HG1 VAL 68 2HG1 VAL 68 7.635 3.170 -5.913 522 3HG1 VAL 68 3HG1 VAL 68 6.705 4.057 -4.705 523 1HG2 VAL 68 1HG2 VAL 68 9.254 5.538 -6.900 524 2HG2 VAL 68 2HG2 VAL 68 8.131 6.175 -8.102 525 3HG2 VAL 68 3HG2 VAL 68 8.442 4.440 -8.015 526 H GLU 69 H GLU 69 5.740 5.341 -9.679 527 HA GLU 69 HA GLU 69 5.535 8.117 -9.699 528 1HB GLU 69 1HB GLU 69 4.734 6.022 -11.702 529 2HB GLU 69 2HB GLU 69 4.473 7.732 -12.015 530 1HG GLU 69 1HG GLU 69 6.535 6.942 -13.032 531 2HG GLU 69 2HG GLU 69 6.853 8.158 -11.795 532 HA PRO 70 HA PRO 70 0.713 7.665 -10.027 533 1HB PRO 70 1HB PRO 70 -0.344 5.329 -9.080 534 2HB PRO 70 2HB PRO 70 0.014 5.622 -10.785 535 1HG PRO 70 1HG PRO 70 1.614 4.137 -8.740 536 2HG PRO 70 2HG PRO 70 1.302 3.724 -10.436 537 1HD PRO 70 1HD PRO 70 3.629 4.820 -9.627 538 2HD PRO 70 2HD PRO 70 2.921 5.172 -11.215 539 H VAL 71 H VAL 71 2.565 6.191 -7.461 540 HA VAL 71 HA VAL 71 0.732 6.681 -5.348 541 HB VAL 71 HB VAL 71 3.729 6.472 -5.083 542 1HG1 VAL 71 1HG1 VAL 71 1.513 5.725 -3.179 543 2HG1 VAL 71 2HG1 VAL 71 2.474 7.198 -3.090 544 3HG1 VAL 71 3HG1 VAL 71 3.245 5.630 -2.867 545 1HG2 VAL 71 1HG2 VAL 71 3.386 4.049 -4.799 546 2HG2 VAL 71 2HG2 VAL 71 2.960 4.601 -6.419 547 3HG2 VAL 71 3HG2 VAL 71 1.691 4.254 -5.243 548 H TYR 72 H TYR 72 3.504 8.481 -6.616 549 HA TYR 72 HA TYR 72 3.576 10.513 -4.723 550 1HB TYR 72 1HB TYR 72 4.141 10.739 -7.688 551 2HB TYR 72 2HB TYR 72 4.661 11.881 -6.461 552 HD1 TYR 72 1HD TYR 72 6.400 10.351 -8.466 553 HD2 TYR 72 2HD TYR 72 5.337 9.567 -4.421 554 HE1 TYR 72 1HE TYR 72 8.484 9.080 -8.168 555 HE2 TYR 72 2HE TYR 72 7.418 8.295 -4.114 556 HH TYR 72 HH TYR 72 9.054 7.082 -5.492 557 H LYS 73 H LYS 73 1.259 9.844 -7.164 558 HA LYS 73 HA LYS 73 0.163 12.503 -7.281 559 1HB LYS 73 1HB LYS 73 0.067 10.965 -9.214 560 2HB LYS 73 2HB LYS 73 -0.981 9.896 -8.293 561 1HG LYS 73 1HG LYS 73 -2.331 11.189 -9.776 562 2HG LYS 73 2HG LYS 73 -2.631 11.743 -8.128 563 1HD LYS 73 1HD LYS 73 -0.857 13.529 -8.605 564 2HD LYS 73 2HD LYS 73 -1.054 13.087 -10.302 565 1HE LYS 73 1HE LYS 73 -3.216 14.075 -8.446 566 2HE LYS 73 2HE LYS 73 -2.451 14.996 -9.740 567 1HZ LYS 73 1HZ LYS 73 -3.352 13.439 -11.344 568 2HZ LYS 73 2HZ LYS 73 -4.598 14.109 -10.418 569 3HZ LYS 73 3HZ LYS 73 -4.069 12.531 -10.109 570 H MET 74 H MET 74 -0.900 9.385 -5.892 571 HA MET 74 HA MET 74 -3.270 10.452 -4.760 572 1HB MET 74 1HB MET 74 -3.238 8.334 -3.377 573 2HB MET 74 2HB MET 74 -3.245 8.117 -5.120 574 1HG MET 74 1HG MET 74 -1.065 7.389 -5.175 575 2HG MET 74 2HG MET 74 -0.662 8.140 -3.632 576 1HE MET 74 1HE MET 74 -3.229 4.321 -4.033 577 2HE MET 74 2HE MET 74 -2.565 5.205 -5.407 578 3HE MET 74 3HE MET 74 -3.838 5.930 -4.425 579 H ILE 75 H ILE 75 0.014 10.028 -3.531 580 HA ILE 75 HA ILE 75 -0.421 10.437 -0.822 581 HB ILE 75 HB ILE 75 1.906 11.344 -2.524 582 1HG1 ILE 75 1HG1 ILE 75 1.626 8.945 -0.704 583 2HG1 ILE 75 2HG1 ILE 75 1.445 8.895 -2.453 584 1HG2 ILE 75 1HG2 ILE 75 1.673 11.186 0.476 585 2HG2 ILE 75 2HG2 ILE 75 1.883 12.643 -0.497 586 3HG2 ILE 75 3HG2 ILE 75 3.175 11.448 -0.409 587 1HD1 ILE 75 1HD1 ILE 75 3.741 9.505 -2.763 588 2HD1 ILE 75 2HD1 ILE 75 3.654 8.135 -1.654 589 3HD1 ILE 75 3HD1 ILE 75 3.948 9.759 -1.029 590 H GLU 76 H GLU 76 -0.733 12.589 -3.462 591 HA GLU 76 HA GLU 76 -0.374 15.047 -2.070 592 1HB GLU 76 1HB GLU 76 -1.947 14.547 -4.597 593 2HB GLU 76 2HB GLU 76 -1.349 16.098 -4.032 594 1HG GLU 76 1HG GLU 76 0.953 15.273 -4.272 595 2HG GLU 76 2HG GLU 76 0.321 13.755 -4.906 596 H VAL 77 H VAL 77 -3.376 13.483 -3.238 597 HA VAL 77 HA VAL 77 -4.965 15.293 -1.610 598 HB VAL 77 HB VAL 77 -5.914 13.046 -3.386 599 1HG1 VAL 77 1HG1 VAL 77 -8.042 14.293 -3.365 600 2HG1 VAL 77 2HG1 VAL 77 -7.353 15.411 -2.188 601 3HG1 VAL 77 3HG1 VAL 77 -7.579 13.714 -1.765 602 1HG2 VAL 77 1HG2 VAL 77 -6.346 14.792 -5.056 603 2HG2 VAL 77 2HG2 VAL 77 -4.629 14.660 -4.676 604 3HG2 VAL 77 3HG2 VAL 77 -5.582 15.981 -4.001 605 H VAL 78 H VAL 78 -4.236 11.834 -1.733 606 HA VAL 78 HA VAL 78 -6.063 10.923 0.152 607 HB VAL 78 HB VAL 78 -4.306 9.695 -1.390 608 1HG1 VAL 78 1HG1 VAL 78 -2.496 8.698 -0.210 609 2HG1 VAL 78 2HG1 VAL 78 -2.987 9.474 1.294 610 3HG1 VAL 78 3HG1 VAL 78 -2.374 10.450 -0.044 611 1HG2 VAL 78 1HG2 VAL 78 -4.977 7.680 -0.435 612 2HG2 VAL 78 2HG2 VAL 78 -6.260 8.803 0.022 613 3HG2 VAL 78 3HG2 VAL 78 -5.012 8.359 1.191 614 H HIS 79 H HIS 79 -3.548 13.047 0.636 615 HA HIS 79 HA HIS 79 -3.727 12.689 3.549 616 1HB HIS 79 1HB HIS 79 -1.244 13.231 1.918 617 2HB HIS 79 2HB HIS 79 -1.340 13.611 3.632 618 HD1 HIS 79 1HD HIS 79 -1.677 11.548 5.268 619 HD2 HIS 79 2HD HIS 79 -0.750 10.589 1.335 620 HE1 HIS 79 1HE HIS 79 -0.949 9.142 5.314 621 HE2 HIS 79 2HE HIS 79 -0.398 8.581 2.923 622 H ALA 80 H ALA 80 -5.376 14.351 2.059 623 HA ALA 80 HA ALA 80 -4.524 16.987 1.729 624 1HB ALA 80 1HB ALA 80 -7.287 16.050 2.488 625 2HB ALA 80 2HB ALA 80 -6.639 16.089 0.849 626 3HB ALA 80 3HB ALA 80 -6.867 17.592 1.742 627 H GLY 81 H GLY 81 -3.894 18.480 3.123 628 1HA GLY 81 1HA GLY 81 -5.026 19.483 5.319 629 2HA GLY 81 2HA GLY 81 -4.265 18.041 5.975 630 H ASN 82 H ASN 82 -1.882 17.811 5.219 631 HA ASN 82 HA ASN 82 -0.588 20.436 5.553 632 1HB ASN 82 1HB ASN 82 0.372 17.712 6.456 633 2HB ASN 82 2HB ASN 82 1.282 19.209 6.623 634 1HD2 ASN 82 1HD2 ASN 82 1.355 19.049 8.849 635 2HD2 ASN 82 2HD2 ASN 82 -0.030 19.323 9.844 636 H ALA 83 H ALA 83 1.369 20.820 4.429 637 HA ALA 83 HA ALA 83 1.439 19.583 1.821 638 1HB ALA 83 1HB ALA 83 3.117 21.263 1.292 639 2HB ALA 83 2HB ALA 83 3.203 21.733 2.990 640 3HB ALA 83 3HB ALA 83 1.721 22.002 2.072 641 H ASP 84 H ASP 84 3.097 19.197 4.812 642 HA ASP 84 HA ASP 84 5.443 18.010 3.608 643 1HB ASP 84 1HB ASP 84 6.249 17.676 5.840 644 2HB ASP 84 2HB ASP 84 5.614 19.313 5.700 645 H ASP 85 H ASP 85 2.436 16.895 5.053 646 HA ASP 85 HA ASP 85 3.199 14.236 5.514 647 1HB ASP 85 1HB ASP 85 0.801 13.671 5.344 648 2HB ASP 85 2HB ASP 85 1.071 15.087 6.352 649 H ILE 86 H ILE 86 2.684 16.030 2.673 650 HA ILE 86 HA ILE 86 2.405 13.736 0.932 651 HB ILE 86 HB ILE 86 2.868 16.647 0.236 652 1HG1 ILE 86 1HG1 ILE 86 0.297 15.051 0.235 653 2HG1 ILE 86 2HG1 ILE 86 0.745 16.240 1.452 654 1HG2 ILE 86 1HG2 ILE 86 3.559 15.124 -1.542 655 2HG2 ILE 86 2HG2 ILE 86 2.113 16.021 -2.005 656 3HG2 ILE 86 3HG2 ILE 86 1.981 14.338 -1.494 657 1HD1 ILE 86 1HD1 ILE 86 0.275 16.786 -1.469 658 2HD1 ILE 86 2HD1 ILE 86 0.746 17.983 -0.262 659 3HD1 ILE 86 3HD1 ILE 86 -0.817 17.174 -0.141 660 H GLN 87 H GLN 87 4.832 15.898 2.139 661 HA GLN 87 HA GLN 87 6.880 15.072 0.302 662 1HB GLN 87 1HB GLN 87 6.978 16.741 2.807 663 2HB GLN 87 2HB GLN 87 8.372 16.430 1.780 664 1HG GLN 87 1HG GLN 87 5.870 17.924 1.071 665 2HG GLN 87 2HG GLN 87 7.494 18.580 1.254 666 1HE2 GLN 87 1HE2 GLN 87 9.026 18.212 -0.356 667 2HE2 GLN 87 2HE2 GLN 87 8.581 17.686 -1.940 668 H LEU 88 H LEU 88 5.611 13.951 3.264 669 HA LEU 88 HA LEU 88 8.012 12.580 4.104 670 1HB LEU 88 1HB LEU 88 6.478 13.450 5.777 671 2HB LEU 88 2HB LEU 88 5.177 12.466 5.133 672 HG LEU 88 HG LEU 88 6.406 10.431 5.808 673 1HD1 LEU 88 1HD1 LEU 88 8.328 10.652 7.325 674 2HD1 LEU 88 2HD1 LEU 88 8.339 12.392 7.035 675 3HD1 LEU 88 3HD1 LEU 88 8.673 11.276 5.712 676 1HD2 LEU 88 1HD2 LEU 88 5.950 12.431 8.019 677 2HD2 LEU 88 2HD2 LEU 88 6.049 10.681 8.216 678 3HD2 LEU 88 3HD2 LEU 88 4.728 11.391 7.289 679 H VAL 89 H VAL 89 4.728 11.432 3.306 680 HA VAL 89 HA VAL 89 5.286 8.736 3.097 681 HB VAL 89 HB VAL 89 3.302 10.254 1.401 682 1HG1 VAL 89 1HG1 VAL 89 3.432 7.358 2.227 683 2HG1 VAL 89 2HG1 VAL 89 3.616 8.004 0.597 684 3HG1 VAL 89 3HG1 VAL 89 2.060 8.114 1.418 685 1HG2 VAL 89 1HG2 VAL 89 3.003 9.081 4.162 686 2HG2 VAL 89 2HG2 VAL 89 1.687 9.730 3.186 687 3HG2 VAL 89 3HG2 VAL 89 2.982 10.793 3.740 688 H LYS 90 H LYS 90 5.547 11.231 0.606 689 HA LYS 90 HA LYS 90 6.042 9.670 -1.612 690 1HB LYS 90 1HB LYS 90 6.310 12.422 -0.864 691 2HB LYS 90 2HB LYS 90 7.713 11.943 -1.799 692 1HG LYS 90 1HG LYS 90 6.466 11.456 -3.672 693 2HG LYS 90 2HG LYS 90 4.972 11.273 -2.758 694 1HD LYS 90 1HD LYS 90 4.802 13.608 -2.412 695 2HD LYS 90 2HD LYS 90 6.428 13.892 -3.031 696 1HE LYS 90 1HE LYS 90 5.657 13.050 -5.244 697 2HE LYS 90 2HE LYS 90 4.023 12.955 -4.589 698 1HZ LYS 90 1HZ LYS 90 4.319 15.003 -5.795 699 2HZ LYS 90 2HZ LYS 90 5.663 15.417 -4.855 700 3HZ LYS 90 3HZ LYS 90 4.127 15.348 -4.149 701 H GLY 91 H GLY 91 8.207 10.519 1.015 702 1HA GLY 91 1HA GLY 91 10.525 9.414 -0.361 703 2HA GLY 91 2HA GLY 91 10.502 10.120 1.248 704 H ILE 92 H ILE 92 8.115 8.347 1.889 705 HA ILE 92 HA ILE 92 9.600 6.232 3.060 706 HB ILE 92 HB ILE 92 6.602 6.392 2.731 707 1HG1 ILE 92 1HG1 ILE 92 7.375 8.409 3.822 708 2HG1 ILE 92 2HG1 ILE 92 6.626 7.364 5.023 709 1HG2 ILE 92 1HG2 ILE 92 7.342 4.185 3.360 710 2HG2 ILE 92 2HG2 ILE 92 6.582 4.964 4.749 711 3HG2 ILE 92 3HG2 ILE 92 8.340 4.850 4.654 712 1HD1 ILE 92 1HD1 ILE 92 8.867 6.631 5.735 713 2HD1 ILE 92 2HD1 ILE 92 8.615 8.365 5.928 714 3HD1 ILE 92 3HD1 ILE 92 9.577 7.760 4.581 715 H ALA 93 H ALA 93 7.545 6.483 0.212 716 HA ALA 93 HA ALA 93 7.412 3.730 -0.397 717 1HB ALA 93 1HB ALA 93 7.273 6.062 -2.309 718 2HB ALA 93 2HB ALA 93 5.915 5.432 -1.377 719 3HB ALA 93 3HB ALA 93 6.686 4.424 -2.601 720 H ASN 94 H ASN 94 9.902 6.046 -0.665 721 HA ASN 94 HA ASN 94 11.392 4.726 -2.738 722 1HB ASN 94 1HB ASN 94 11.857 7.060 -0.921 723 2HB ASN 94 2HB ASN 94 13.224 6.348 -1.763 724 1HD2 ASN 94 1HD2 ASN 94 10.254 8.099 -2.085 725 2HD2 ASN 94 2HD2 ASN 94 10.475 8.581 -3.729 726 H GLU 95 H GLU 95 11.072 4.456 0.674 727 HA GLU 95 HA GLU 95 13.605 3.135 1.091 728 1HB GLU 95 1HB GLU 95 11.216 3.356 2.941 729 2HB GLU 95 2HB GLU 95 12.833 2.825 3.390 730 1HG GLU 95 1HG GLU 95 13.709 5.046 2.817 731 2HG GLU 95 2HG GLU 95 12.074 5.573 2.420 732 H CYS 96 H CYS 96 10.465 2.249 0.100 733 HA CYS 96 HA CYS 96 10.554 -0.475 1.013 734 1HB CYS 96 1HB CYS 96 8.719 1.125 -0.724 735 2HB CYS 96 2HB CYS 96 8.589 -0.629 -0.701 736 H ILE 97 H ILE 97 10.864 1.110 -2.162 737 HA ILE 97 HA ILE 97 11.216 -1.069 -3.784 738 HB ILE 97 HB ILE 97 12.833 1.471 -4.020 739 1HG1 ILE 97 1HG1 ILE 97 10.052 0.882 -5.067 740 2HG1 ILE 97 2HG1 ILE 97 10.414 1.933 -3.703 741 1HG2 ILE 97 1HG2 ILE 97 13.550 -0.306 -5.517 742 2HG2 ILE 97 2HG2 ILE 97 12.760 0.983 -6.425 743 3HG2 ILE 97 3HG2 ILE 97 11.894 -0.516 -6.087 744 1HD1 ILE 97 1HD1 ILE 97 11.262 2.372 -6.557 745 2HD1 ILE 97 2HD1 ILE 97 11.664 3.417 -5.194 746 3HD1 ILE 97 3HD1 ILE 97 9.983 3.229 -5.696 747 H GLU 98 H GLU 98 13.401 0.139 -1.381 748 HA GLU 98 HA GLU 98 15.785 -1.042 -2.353 749 1HB GLU 98 1HB GLU 98 15.062 -0.391 0.507 750 2HB GLU 98 2HB GLU 98 16.680 -0.639 -0.129 751 1HG GLU 98 1HG GLU 98 16.406 1.340 -1.555 752 2HG GLU 98 2HG GLU 98 14.807 1.599 -0.860 753 H ASN 99 H ASN 99 13.352 -2.138 0.000 754 HA ASN 99 HA ASN 99 14.695 -4.668 0.390 755 1HB ASN 99 1HB ASN 99 11.908 -4.001 1.290 756 2HB ASN 99 2HB ASN 99 13.071 -5.091 2.044 757 1HD2 ASN 99 1HD2 ASN 99 12.052 -1.820 1.617 758 2HD2 ASN 99 2HD2 ASN 99 13.035 -1.124 2.854 759 H ALA 100 H ALA 100 12.301 -3.349 -1.670 760 HA ALA 100 HA ALA 100 10.886 -5.743 -2.285 761 1HB ALA 100 1HB ALA 100 10.011 -4.422 -4.191 762 2HB ALA 100 2HB ALA 100 11.113 -3.119 -3.747 763 3HB ALA 100 3HB ALA 100 9.838 -3.619 -2.633 764 H LYS 101 H LYS 101 13.614 -4.044 -3.747 765 HA LYS 101 HA LYS 101 14.883 -4.509 -5.578 766 1HB LYS 101 1HB LYS 101 15.274 -7.294 -4.893 767 2HB LYS 101 2HB LYS 101 16.387 -5.939 -4.838 768 1HG LYS 101 1HG LYS 101 16.041 -5.535 -2.640 769 2HG LYS 101 2HG LYS 101 14.374 -6.100 -2.686 770 1HD LYS 101 1HD LYS 101 16.706 -7.970 -2.984 771 2HD LYS 101 2HD LYS 101 16.048 -7.531 -1.406 772 1HE LYS 101 1HE LYS 101 13.857 -8.379 -2.078 773 2HE LYS 101 2HE LYS 101 14.501 -8.795 -3.667 774 1HZ LYS 101 1HZ LYS 101 16.035 -10.335 -2.576 775 2HZ LYS 101 2HZ LYS 101 14.425 -10.731 -2.251 776 3HZ LYS 101 3HZ LYS 101 15.359 -9.960 -1.071 777 H GLY 102 H GLY 102 12.122 -4.846 -6.208 778 1HA GLY 102 1HA GLY 102 10.788 -5.695 -7.863 779 2HA GLY 102 2HA GLY 102 12.287 -6.029 -8.711 780 H GLU 103 H GLU 103 10.270 -7.365 -6.087 781 HA GLU 103 HA GLU 103 11.278 -10.006 -6.376 782 1HB GLU 103 1HB GLU 103 8.895 -8.808 -5.000 783 2HB GLU 103 2HB GLU 103 9.044 -10.554 -5.137 784 1HG GLU 103 1HG GLU 103 11.020 -8.702 -3.824 785 2HG GLU 103 2HG GLU 103 9.884 -9.771 -3.004 786 H THR 104 H THR 104 9.997 -11.889 -7.083 787 HA THR 104 HA THR 104 8.426 -11.215 -9.480 788 HB THR 104 HB THR 104 8.985 -13.485 -10.293 789 HG1 THR 104 1HG THR 104 9.377 -14.354 -8.128 790 1HG2 THR 104 1HG2 THR 104 11.380 -11.815 -9.518 791 2HG2 THR 104 2HG2 THR 104 10.379 -11.588 -10.952 792 3HG2 THR 104 3HG2 THR 104 11.350 -13.050 -10.778 793 H ASP 105 H ASP 105 7.862 -11.998 -6.405 794 HA ASP 105 HA ASP 105 5.656 -13.842 -7.029 795 1HB ASP 105 1HB ASP 105 7.374 -14.524 -5.297 796 2HB ASP 105 2HB ASP 105 6.766 -13.215 -4.299 797 H GLU 106 H GLU 106 3.573 -13.395 -6.293 798 HA GLU 106 HA GLU 106 2.856 -10.646 -6.281 799 1HB GLU 106 1HB GLU 106 1.403 -12.366 -7.237 800 2HB GLU 106 2HB GLU 106 1.191 -13.086 -5.647 801 1HG GLU 106 1HG GLU 106 0.092 -11.045 -4.870 802 2HG GLU 106 2HG GLU 106 0.298 -10.331 -6.468 803 H CYS 107 H CYS 107 2.075 -13.078 -3.789 804 HA CYS 107 HA CYS 107 1.392 -11.249 -1.815 805 1HB CYS 107 1HB CYS 107 2.201 -14.136 -1.769 806 2HB CYS 107 2HB CYS 107 1.941 -13.266 -0.262 807 H ASN 108 H ASN 108 4.516 -12.799 -2.505 808 HA ASN 108 HA ASN 108 5.906 -11.846 -0.277 809 1HB ASN 108 1HB ASN 108 6.685 -13.449 -2.194 810 2HB ASN 108 2HB ASN 108 7.208 -11.966 -2.985 811 1HD2 ASN 108 1HD2 ASN 108 8.099 -10.511 -0.842 812 2HD2 ASN 108 2HD2 ASN 108 9.483 -11.280 -0.154 813 H ILE 109 H ILE 109 5.249 -10.391 -3.426 814 HA ILE 109 HA ILE 109 6.642 -7.981 -3.026 815 HB ILE 109 HB ILE 109 4.575 -8.945 -4.912 816 1HG1 ILE 109 1HG1 ILE 109 6.968 -7.156 -5.345 817 2HG1 ILE 109 2HG1 ILE 109 7.055 -8.910 -5.327 818 1HG2 ILE 109 1HG2 ILE 109 4.210 -6.642 -5.821 819 2HG2 ILE 109 2HG2 ILE 109 4.909 -6.011 -4.331 820 3HG2 ILE 109 3HG2 ILE 109 3.424 -6.961 -4.276 821 1HD1 ILE 109 1HD1 ILE 109 6.986 -8.061 -7.592 822 2HD1 ILE 109 2HD1 ILE 109 5.462 -7.242 -7.252 823 3HD1 ILE 109 3HD1 ILE 109 5.539 -9.004 -7.235 824 H GLY 110 H GLY 110 3.496 -9.124 -2.053 825 1HA GLY 110 1HA GLY 110 2.364 -6.634 -1.324 826 2HA GLY 110 2HA GLY 110 1.838 -8.220 -0.767 827 H ASN 111 H ASN 111 4.089 -9.116 0.530 828 HA ASN 111 HA ASN 111 3.810 -7.728 3.005 829 1HB ASN 111 1HB ASN 111 4.097 -10.148 2.905 830 2HB ASN 111 2HB ASN 111 5.718 -9.940 2.255 831 1HD2 ASN 111 1HD2 ASN 111 4.083 -8.193 4.878 832 2HD2 ASN 111 2HD2 ASN 111 5.196 -8.652 6.103 833 H LYS 112 H LYS 112 6.551 -8.028 0.736 834 HA LYS 112 HA LYS 112 8.456 -6.719 2.283 835 1HB LYS 112 1HB LYS 112 9.548 -6.134 0.088 836 2HB LYS 112 2HB LYS 112 9.214 -7.836 0.335 837 1HG LYS 112 1HG LYS 112 8.448 -7.669 -1.775 838 2HG LYS 112 2HG LYS 112 6.977 -7.151 -0.951 839 1HD LYS 112 1HD LYS 112 7.347 -4.909 -1.441 840 2HD LYS 112 2HD LYS 112 9.066 -5.158 -1.734 841 1HE LYS 112 1HE LYS 112 6.798 -6.109 -3.477 842 2HE LYS 112 2HE LYS 112 7.873 -4.754 -3.815 843 1HZ LYS 112 1HZ LYS 112 8.699 -7.597 -3.573 844 2HZ LYS 112 2HZ LYS 112 9.732 -6.297 -3.895 845 3HZ LYS 112 3HZ LYS 112 8.547 -6.732 -5.020 846 H TYR 113 H TYR 113 6.191 -5.311 -0.068 847 HA TYR 113 HA TYR 113 7.175 -2.659 0.322 848 1HB TYR 113 1HB TYR 113 5.666 -3.878 -1.613 849 2HB TYR 113 2HB TYR 113 4.464 -2.898 -0.776 850 HD1 TYR 113 1HD TYR 113 4.630 -0.452 -0.767 851 HD2 TYR 113 2HD TYR 113 7.456 -2.849 -2.868 852 HE1 TYR 113 1HE TYR 113 5.386 1.531 -2.009 853 HE2 TYR 113 2HE TYR 113 8.220 -0.869 -4.108 854 HH TYR 113 HH TYR 113 7.403 2.289 -3.220 855 H THR 114 H THR 114 4.330 -4.433 1.506 856 HA THR 114 HA THR 114 3.205 -2.194 2.849 857 HB THR 114 HB THR 114 1.984 -4.333 2.187 858 HG1 THR 114 1HG THR 114 0.543 -3.526 3.505 859 1HG2 THR 114 1HG2 THR 114 1.985 -6.160 3.778 860 2HG2 THR 114 2HG2 THR 114 3.140 -5.310 4.804 861 3HG2 THR 114 3HG2 THR 114 3.632 -5.883 3.212 862 H ASP 115 H ASP 115 5.720 -4.421 3.623 863 HA ASP 115 HA ASP 115 5.672 -4.316 6.429 864 1HB ASP 115 1HB ASP 115 7.019 -5.948 5.191 865 2HB ASP 115 2HB ASP 115 8.032 -4.650 4.561 866 H CYS 116 H CYS 116 7.819 -2.563 4.206 867 HA CYS 116 HA CYS 116 8.926 -0.838 6.098 868 1HB CYS 116 1HB CYS 116 9.156 0.629 3.861 869 2HB CYS 116 2HB CYS 116 10.162 -0.778 4.193 870 H TYR 117 H TYR 117 6.060 -0.439 4.055 871 HA TYR 117 HA TYR 117 5.546 2.251 4.574 872 1HB TYR 117 1HB TYR 117 4.183 0.074 3.331 873 2HB TYR 117 2HB TYR 117 3.052 0.895 4.402 874 HD1 TYR 117 1HD TYR 117 1.809 2.588 3.462 875 HD2 TYR 117 2HD TYR 117 5.699 1.819 1.918 876 HE1 TYR 117 1HE TYR 117 1.480 4.344 1.772 877 HE2 TYR 117 2HE TYR 117 5.381 3.574 0.225 878 HH TYR 117 HH TYR 117 2.849 5.824 0.363 879 H ILE 118 H ILE 118 4.943 -0.581 6.528 880 HA ILE 118 HA ILE 118 3.264 0.837 8.415 881 HB ILE 118 HB ILE 118 4.473 -1.929 8.530 882 1HG1 ILE 118 1HG1 ILE 118 2.748 -1.542 6.770 883 2HG1 ILE 118 2HG1 ILE 118 2.267 -2.731 7.974 884 1HG2 ILE 118 1HG2 ILE 118 4.133 -1.145 10.775 885 2HG2 ILE 118 2HG2 ILE 118 2.875 -2.319 10.384 886 3HG2 ILE 118 3HG2 ILE 118 2.504 -0.595 10.380 887 1HD1 ILE 118 1HD1 ILE 118 0.422 -1.270 7.388 888 2HD1 ILE 118 2HD1 ILE 118 1.371 0.139 7.864 889 3HD1 ILE 118 3HD1 ILE 118 0.885 -1.046 9.075 890 H GLU 119 H GLU 119 6.613 -0.083 8.075 891 HA GLU 119 HA GLU 119 7.371 0.306 10.776 892 1HB GLU 119 1HB GLU 119 8.681 -1.017 9.148 893 2HB GLU 119 2HB GLU 119 9.089 0.467 8.298 894 1HG GLU 119 1HG GLU 119 10.278 1.290 10.237 895 2HG GLU 119 2HG GLU 119 9.810 -0.140 11.156 896 H LYS 120 H LYS 120 7.890 2.386 7.904 897 HA LYS 120 HA LYS 120 8.707 4.567 9.628 898 1HB LYS 120 1HB LYS 120 8.412 4.469 6.625 899 2HB LYS 120 2HB LYS 120 9.133 5.785 7.541 900 1HG LYS 120 1HG LYS 120 11.004 4.665 6.881 901 2HG LYS 120 2HG LYS 120 10.702 3.881 8.434 902 1HD LYS 120 1HD LYS 120 9.627 2.020 7.334 903 2HD LYS 120 2HD LYS 120 9.763 2.823 5.769 904 1HE LYS 120 1HE LYS 120 12.222 2.762 5.991 905 2HE LYS 120 2HE LYS 120 12.040 1.875 7.504 906 1HZ LYS 120 1HZ LYS 120 11.129 0.953 4.830 907 2HZ LYS 120 2HZ LYS 120 10.935 0.102 6.280 908 3HZ LYS 120 3HZ LYS 120 12.487 0.383 5.665 909 H LEU 121 H LEU 121 6.053 3.996 7.299 910 HA LEU 121 HA LEU 121 4.823 6.500 8.183 911 1HB LEU 121 1HB LEU 121 5.097 6.080 5.771 912 2HB LEU 121 2HB LEU 121 4.058 4.677 5.911 913 HG LEU 121 HG LEU 121 2.199 6.140 6.600 914 1HD1 LEU 121 1HD1 LEU 121 2.394 8.558 6.307 915 2HD1 LEU 121 2HD1 LEU 121 4.112 8.377 5.949 916 3HD1 LEU 121 3HD1 LEU 121 3.499 7.974 7.552 917 1HD2 LEU 121 1HD2 LEU 121 1.812 7.131 4.389 918 2HD2 LEU 121 2HD2 LEU 121 2.426 5.480 4.280 919 3HD2 LEU 121 3HD2 LEU 121 3.503 6.843 3.978 920 H PHE 122 H PHE 122 4.500 3.148 8.773 921 HA PHE 122 HA PHE 122 3.003 1.958 10.008 922 1HB PHE 122 1HB PHE 122 2.799 3.395 11.772 923 2HB PHE 122 2HB PHE 122 2.375 4.762 10.753 924 HD1 PHE 122 1HD PHE 122 1.021 1.604 12.152 925 HD2 PHE 122 2HD PHE 122 0.168 5.479 10.616 926 HE1 PHE 122 1HE PHE 122 -1.333 1.340 12.819 927 HE2 PHE 122 2HE PHE 122 -2.185 5.226 11.278 928 HZ PHE 122 HZ PHE 122 -2.950 3.157 12.355 929 H SER 123 H SER 123 2.098 3.886 7.385 930 HA SER 123 HA SER 123 -0.649 3.394 7.168 931 1HB SER 123 1HB SER 123 0.488 5.033 5.756 932 2HB SER 123 2HB SER 123 1.408 3.748 4.972 933 HG SER 123 HG SER 123 -0.544 2.931 4.154 934 1H4 TSD 124 1H4 TSP 124 0.182 2.307 1.301 935 2H4 TSD 124 2H4 TSP 124 -1.443 2.070 1.901 936 3H4 TSD 124 3H4 TSP 124 -1.133 3.269 0.666 937 1H5 TSD 124 1H5 TSP 124 0.572 -0.255 0.809 938 2H5 TSD 124 2H5 TSP 124 0.868 -0.096 -0.906 939 3H5 TSD 124 3H5 TSP 124 -0.340 -1.220 -0.327 940 1H6 TSD 124 1H6 TSP 124 -0.119 2.002 -2.211 941 2H6 TSD 124 2H6 TSP 124 -1.664 2.749 -1.880 942 3H6 TSD 124 3H6 TSP 124 -1.598 1.167 -2.619 943 1D3 TSD 124 1D3 TSP 124 -2.948 -0.446 -0.749 944 2D3 TSD 124 2D3 TSP 124 -2.771 -0.201 0.977 945 1D2 TSD 124 1D2 TSP 124 -4.039 1.760 -0.962 946 2D2 TSD 124 2D2 TSP 124 -3.850 2.021 0.771
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