NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20373 | 2fn5 | 6933 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 14.180 -16.075 2.855 2 2H GLY 1 2H GLY 1 13.198 -16.081 4.223 3 3H GLY 1 3H GLY 1 13.567 -14.626 3.432 4 1HA GLY 1 1HA GLY 1 11.974 -16.827 2.290 5 2HA GLY 1 2HA GLY 1 11.349 -15.295 2.891 6 H HIS 2 H HIS 2 10.538 -14.713 0.880 7 HA HIS 2 HA HIS 2 12.517 -13.561 -0.885 8 1HB HIS 2 1HB HIS 2 11.413 -14.464 -2.912 9 2HB HIS 2 2HB HIS 2 12.042 -15.769 -1.922 10 HD1 HIS 2 HD1 HIS 2 8.888 -14.476 -3.419 11 HD2 HIS 2 HD2 HIS 2 10.027 -17.291 -0.590 12 HE1 HIS 2 HE1 HIS 2 6.867 -15.886 -2.997 13 H MET 3 H MET 3 11.717 -11.662 -1.817 14 HA MET 3 HA MET 3 9.353 -10.656 -0.559 15 1HB MET 3 1HB MET 3 11.274 -9.158 -0.885 16 2HB MET 3 2HB MET 3 11.146 -9.365 -2.629 17 1HG MET 3 1HG MET 3 8.987 -8.284 -2.637 18 2HG MET 3 2HG MET 3 9.015 -8.148 -0.883 19 1HE MET 3 1HE MET 3 10.689 -6.989 -4.254 20 2HE MET 3 2HE MET 3 12.078 -7.552 -3.324 21 3HE MET 3 3HE MET 3 11.890 -5.835 -3.676 22 H GLU 4 H GLU 4 7.492 -11.205 -1.225 23 HA GLU 4 HA GLU 4 6.940 -12.107 -3.908 24 1HB GLU 4 1HB GLU 4 6.043 -13.162 -1.728 25 2HB GLU 4 2HB GLU 4 5.197 -11.650 -1.567 26 1HG GLU 4 1HG GLU 4 3.910 -11.976 -3.550 27 2HG GLU 4 2HG GLU 4 4.799 -13.440 -3.919 28 H LEU 5 H LEU 5 6.527 -10.456 -5.348 29 HA LEU 5 HA LEU 5 5.125 -8.115 -4.359 30 1HB LEU 5 1HB LEU 5 5.968 -8.675 -7.228 31 2HB LEU 5 2HB LEU 5 5.420 -7.152 -6.540 32 HG LEU 5 HG LEU 5 7.652 -6.871 -6.822 33 1HD1 LEU 5 11HD LEU 5 8.589 -6.613 -4.593 34 2HD1 LEU 5 12HD LEU 5 7.310 -7.664 -3.981 35 3HD1 LEU 5 13HD LEU 5 6.894 -6.102 -4.692 36 1HD2 LEU 5 21HD LEU 5 8.374 -9.154 -7.248 37 2HD2 LEU 5 22HD LEU 5 8.213 -9.540 -5.533 38 3HD2 LEU 5 23HD LEU 5 9.434 -8.389 -6.064 39 H PHE 6 H PHE 6 3.019 -8.300 -4.160 40 HA PHE 6 HA PHE 6 1.680 -10.127 -5.981 41 1HB PHE 6 1HB PHE 6 0.162 -10.623 -4.059 42 2HB PHE 6 2HB PHE 6 1.737 -11.389 -4.006 43 HD1 PHE 6 HD1 PHE 6 -0.582 -9.004 -2.623 44 HD2 PHE 6 HD2 PHE 6 3.307 -10.607 -2.193 45 HE1 PHE 6 HE1 PHE 6 -0.427 -8.020 -0.343 46 HE2 PHE 6 HE2 PHE 6 3.495 -9.664 0.031 47 HZ PHE 6 HZ PHE 6 1.626 -8.353 0.985 48 HA PRO 7 HA PRO 7 -1.344 -6.872 -6.406 49 1HB PRO 7 1HB PRO 7 -2.969 -8.108 -8.005 50 2HB PRO 7 2HB PRO 7 -1.356 -7.670 -8.563 51 1HG PRO 7 1HG PRO 7 -2.309 -10.368 -7.575 52 2HG PRO 7 2HG PRO 7 -1.308 -10.013 -9.016 53 1HD PRO 7 1HD PRO 7 -0.405 -10.825 -6.535 54 2HD PRO 7 2HD PRO 7 0.570 -9.903 -7.717 55 H VAL 8 H VAL 8 -2.891 -6.409 -5.016 56 HA VAL 8 HA VAL 8 -4.734 -8.539 -4.238 57 HB VAL 8 HB VAL 8 -4.068 -6.083 -2.600 58 1HG1 VAL 8 11HG VAL 8 -5.640 -8.539 -1.877 59 2HG1 VAL 8 12HG VAL 8 -6.278 -6.918 -2.169 60 3HG1 VAL 8 13HG VAL 8 -5.236 -7.217 -0.777 61 1HG2 VAL 8 21HG VAL 8 -3.086 -8.897 -2.216 62 2HG2 VAL 8 22HG VAL 8 -2.846 -7.562 -1.077 63 3HG2 VAL 8 23HG VAL 8 -2.136 -7.490 -2.697 64 H GLU 9 H GLU 9 -6.484 -8.133 -5.523 65 HA GLU 9 HA GLU 9 -7.216 -5.353 -5.831 66 1HB GLU 9 1HB GLU 9 -7.312 -6.835 -7.855 67 2HB GLU 9 2HB GLU 9 -8.586 -7.754 -7.060 68 1HG GLU 9 1HG GLU 9 -10.025 -5.797 -7.021 69 2HG GLU 9 2HG GLU 9 -8.729 -4.831 -7.730 70 H LEU 10 H LEU 10 -8.188 -4.559 -4.233 71 HA LEU 10 HA LEU 10 -9.715 -6.202 -2.376 72 1HB LEU 10 1HB LEU 10 -7.841 -4.300 -2.064 73 2HB LEU 10 2HB LEU 10 -9.260 -3.283 -2.105 74 HG LEU 10 HG LEU 10 -8.673 -3.638 0.161 75 1HD1 LEU 10 11HD LEU 10 -11.060 -3.690 -0.277 76 2HD1 LEU 10 12HD LEU 10 -10.619 -4.681 1.111 77 3HD1 LEU 10 13HD LEU 10 -10.983 -5.436 -0.436 78 1HD2 LEU 10 21HD LEU 10 -8.459 -5.848 1.170 79 2HD2 LEU 10 22HD LEU 10 -7.267 -5.584 -0.101 80 3HD2 LEU 10 23HD LEU 10 -8.684 -6.591 -0.413 81 H GLU 11 H GLU 11 -11.948 -5.797 -2.139 82 HA GLU 11 HA GLU 11 -13.030 -3.778 -3.945 83 1HB GLU 11 1HB GLU 11 -13.746 -6.059 -4.513 84 2HB GLU 11 2HB GLU 11 -14.384 -6.266 -2.888 85 1HG GLU 11 1HG GLU 11 -15.997 -4.491 -3.289 86 2HG GLU 11 2HG GLU 11 -15.347 -4.263 -4.909 87 H LYS 12 H LYS 12 -12.833 -2.111 -2.575 88 HA LYS 12 HA LYS 12 -13.915 -2.242 0.075 89 1HB LYS 12 1HB LYS 12 -12.319 -0.248 -1.425 90 2HB LYS 12 2HB LYS 12 -13.210 0.320 -0.034 91 1HG LYS 12 1HG LYS 12 -11.070 -1.803 -0.152 92 2HG LYS 12 2HG LYS 12 -10.939 -0.207 0.587 93 1HD LYS 12 1HD LYS 12 -13.165 -1.497 1.733 94 2HD LYS 12 2HD LYS 12 -11.833 -2.668 1.763 95 1HE LYS 12 1HE LYS 12 -11.687 -1.522 3.800 96 2HE LYS 12 2HE LYS 12 -10.480 -0.782 2.806 97 1HZ LYS 12 1HZ LYS 12 -13.170 0.389 3.368 98 2HZ LYS 12 2HZ LYS 12 -12.199 0.991 2.194 99 3HZ LYS 12 3HZ LYS 12 -11.699 1.048 3.792 100 H ASP 13 H ASP 13 -14.909 -0.021 0.712 101 HA ASP 13 HA ASP 13 -17.591 -0.038 -0.238 102 1HB ASP 13 1HB ASP 13 -16.867 0.236 2.151 103 2HB ASP 13 2HB ASP 13 -16.171 1.795 1.687 104 H GLU 14 H GLU 14 -18.377 2.370 -0.171 105 HA GLU 14 HA GLU 14 -17.501 3.475 -2.706 106 1HB GLU 14 1HB GLU 14 -19.540 4.859 -2.542 107 2HB GLU 14 2HB GLU 14 -19.891 3.147 -2.358 108 1HG GLU 14 1HG GLU 14 -19.860 3.517 0.126 109 2HG GLU 14 2HG GLU 14 -19.768 5.240 -0.214 110 H ASP 15 H ASP 15 -17.235 4.115 0.649 111 HA ASP 15 HA ASP 15 -16.416 6.843 0.458 112 1HB ASP 15 1HB ASP 15 -16.994 5.847 2.648 113 2HB ASP 15 2HB ASP 15 -15.611 4.764 2.517 114 H GLY 16 H GLY 16 -14.699 3.767 0.454 115 1HA GLY 16 1HA GLY 16 -12.826 3.873 -1.248 116 2HA GLY 16 2HA GLY 16 -12.254 5.207 -0.256 117 H LEU 17 H LEU 17 -10.622 4.577 0.981 118 HA LEU 17 HA LEU 17 -10.551 1.751 1.796 119 1HB LEU 17 1HB LEU 17 -8.212 3.585 2.034 120 2HB LEU 17 2HB LEU 17 -8.252 1.848 1.904 121 HG LEU 17 HG LEU 17 -8.714 3.832 -0.246 122 1HD1 LEU 17 11HD LEU 17 -6.414 3.592 0.311 123 2HD1 LEU 17 12HD LEU 17 -6.698 2.776 -1.230 124 3HD1 LEU 17 13HD LEU 17 -6.531 1.836 0.253 125 1HD2 LEU 17 21HD LEU 17 -8.900 1.957 -1.787 126 2HD2 LEU 17 22HD LEU 17 -10.192 1.928 -0.585 127 3HD2 LEU 17 23HD LEU 17 -8.823 0.822 -0.436 128 H GLY 18 H GLY 18 -9.879 5.037 2.931 129 1HA GLY 18 1HA GLY 18 -9.983 5.936 5.005 130 2HA GLY 18 2HA GLY 18 -10.822 4.481 5.550 131 H ILE 19 H ILE 19 -7.722 4.474 3.935 132 HA ILE 19 HA ILE 19 -6.611 3.473 6.458 133 HB ILE 19 HB ILE 19 -5.061 2.065 5.293 134 1HG1 ILE 19 11HG ILE 19 -6.099 3.216 2.698 135 2HG1 ILE 19 12HG ILE 19 -4.563 3.645 3.443 136 1HG2 ILE 19 21HG ILE 19 -7.727 1.846 3.906 137 2HG2 ILE 19 22HG ILE 19 -7.374 1.235 5.504 138 3HG2 ILE 19 23HG ILE 19 -6.547 0.545 4.094 139 1HD1 ILE 19 11HD ILE 19 -5.327 0.901 2.453 140 2HD1 ILE 19 12HD ILE 19 -3.793 1.335 3.203 141 3HD1 ILE 19 13HD ILE 19 -4.238 2.030 1.646 142 H SER 20 H SER 20 -4.173 3.727 6.544 143 HA SER 20 HA SER 20 -3.374 6.393 5.605 144 1HB SER 20 1HB SER 20 -3.067 5.275 8.403 145 2HB SER 20 2HB SER 20 -2.498 6.849 7.871 146 HG SER 20 HG SER 20 -4.580 6.710 9.010 147 H ILE 21 H ILE 21 -1.098 6.650 5.548 148 HA ILE 21 HA ILE 21 0.450 4.140 5.442 149 HB ILE 21 HB ILE 21 1.700 5.175 3.560 150 1HG1 ILE 21 11HG ILE 21 0.187 6.999 2.309 151 2HG1 ILE 21 12HG ILE 21 -0.341 7.300 3.948 152 1HG2 ILE 21 21HG ILE 21 -1.231 4.733 3.062 153 2HG2 ILE 21 22HG ILE 21 0.028 3.498 3.107 154 3HG2 ILE 21 23HG ILE 21 0.030 4.714 1.829 155 1HD1 ILE 21 11HD ILE 21 1.905 7.841 4.636 156 2HD1 ILE 21 12HD ILE 21 1.444 8.841 3.273 157 3HD1 ILE 21 13HD ILE 21 2.519 7.478 3.035 158 H ILE 22 H ILE 22 2.838 4.645 5.531 159 HA ILE 22 HA ILE 22 3.278 7.108 6.918 160 HB ILE 22 HB ILE 22 3.061 5.523 8.687 161 1HG1 ILE 22 11HG ILE 22 5.999 6.142 8.308 162 2HG1 ILE 22 12HG ILE 22 4.805 7.234 8.996 163 1HG2 ILE 22 21HG ILE 22 3.482 3.472 7.492 164 2HG2 ILE 22 22HG ILE 22 4.485 3.553 8.944 165 3HG2 ILE 22 23HG ILE 22 5.196 3.887 7.361 166 1HD1 ILE 22 11HD ILE 22 4.487 5.678 10.870 167 2HD1 ILE 22 12HD ILE 22 6.165 6.208 10.734 168 3HD1 ILE 22 13HD ILE 22 5.698 4.605 10.168 169 H GLY 23 H GLY 23 5.107 8.150 6.332 170 1HA GLY 23 1HA GLY 23 6.676 6.834 4.291 171 2HA GLY 23 2HA GLY 23 6.586 8.589 4.540 172 H MET 24 H MET 24 8.213 5.763 5.024 173 HA MET 24 HA MET 24 10.241 7.110 6.584 174 1HB MET 24 1HB MET 24 10.395 5.193 8.206 175 2HB MET 24 2HB MET 24 8.984 6.226 8.404 176 1HG MET 24 1HG MET 24 7.611 4.595 7.270 177 2HG MET 24 2HG MET 24 8.990 3.540 7.025 178 1HE MET 24 1HE MET 24 10.479 3.951 9.924 179 2HE MET 24 2HE MET 24 10.342 2.422 9.058 180 3HE MET 24 3HE MET 24 9.843 2.526 10.746 181 H GLY 25 H GLY 25 11.697 7.092 5.157 182 1HA GLY 25 1HA GLY 25 12.191 5.251 3.164 183 2HA GLY 25 2HA GLY 25 13.407 6.316 3.855 184 H VAL 26 H VAL 26 12.560 3.214 3.351 185 HA VAL 26 HA VAL 26 13.459 2.134 5.812 186 HB VAL 26 HB VAL 26 11.703 0.967 4.635 187 1HG1 VAL 26 11HG VAL 26 13.682 0.465 2.423 188 2HG1 VAL 26 12HG VAL 26 12.246 1.486 2.339 189 3HG1 VAL 26 13HG VAL 26 12.076 -0.255 2.551 190 1HG2 VAL 26 21HG VAL 26 12.611 -1.322 4.644 191 2HG2 VAL 26 22HG VAL 26 13.108 -0.384 6.054 192 3HG2 VAL 26 23HG VAL 26 14.241 -0.654 4.729 193 H GLY 27 H GLY 27 15.434 2.002 6.425 194 1HA GLY 27 1HA GLY 27 17.647 1.939 4.597 195 2HA GLY 27 2HA GLY 27 17.726 1.793 6.359 196 H ALA 28 H ALA 28 16.793 0.122 3.482 197 HA ALA 28 HA ALA 28 16.250 -2.412 4.482 198 1HB ALA 28 1HB ALA 28 17.339 -1.768 1.763 199 2HB ALA 28 2HB ALA 28 15.648 -1.646 2.252 200 3HB ALA 28 3HB ALA 28 16.449 -3.218 2.231 201 H ASP 29 H ASP 29 19.319 -0.952 3.965 202 HA ASP 29 HA ASP 29 21.408 -1.529 4.652 203 1HB ASP 29 1HB ASP 29 20.298 -2.726 6.515 204 2HB ASP 29 2HB ASP 29 20.203 -4.162 5.519 205 H ALA 30 H ALA 30 19.630 -3.803 2.830 206 HA ALA 30 HA ALA 30 21.592 -5.337 1.609 207 1HB ALA 30 1HB ALA 30 19.228 -5.848 1.520 208 2HB ALA 30 2HB ALA 30 19.882 -5.741 -0.124 209 3HB ALA 30 3HB ALA 30 18.951 -4.400 0.562 210 H GLY 31 H GLY 31 20.447 -2.099 0.854 211 1HA GLY 31 1HA GLY 31 22.203 -0.718 -0.225 212 2HA GLY 31 2HA GLY 31 22.390 -2.047 -1.358 213 H LEU 32 H LEU 32 19.425 -2.473 -1.413 214 HA LEU 32 HA LEU 32 18.960 -0.764 -3.640 215 1HB LEU 32 1HB LEU 32 17.060 -2.646 -2.205 216 2HB LEU 32 2HB LEU 32 16.696 -1.817 -3.700 217 HG LEU 32 HG LEU 32 18.642 -3.109 -4.725 218 1HD1 LEU 32 11HD LEU 32 19.759 -3.797 -2.691 219 2HD1 LEU 32 12HD LEU 32 19.286 -5.194 -3.656 220 3HD1 LEU 32 13HD LEU 32 18.355 -4.758 -2.221 221 1HD2 LEU 32 21HD LEU 32 17.285 -5.122 -5.060 222 2HD2 LEU 32 22HD LEU 32 16.323 -3.651 -5.189 223 3HD2 LEU 32 23HD LEU 32 16.243 -4.629 -3.725 224 H GLU 33 H GLU 33 17.140 -1.253 -0.643 225 HA GLU 33 HA GLU 33 16.033 0.082 0.709 226 1HB GLU 33 1HB GLU 33 17.957 2.189 -0.288 227 2HB GLU 33 2HB GLU 33 16.918 2.362 1.127 228 1HG GLU 33 1HG GLU 33 18.020 0.494 2.203 229 2HG GLU 33 2HG GLU 33 19.013 0.236 0.775 230 H LYS 34 H LYS 34 14.347 -0.352 -0.515 231 HA LYS 34 HA LYS 34 13.403 1.188 -2.703 232 1HB LYS 34 1HB LYS 34 11.411 -0.229 -2.416 233 2HB LYS 34 2HB LYS 34 12.899 -1.171 -2.421 234 1HG LYS 34 1HG LYS 34 12.812 -1.134 0.103 235 2HG LYS 34 2HG LYS 34 11.217 -0.418 -0.039 236 1HD LYS 34 1HD LYS 34 12.057 -3.119 -1.089 237 2HD LYS 34 2HD LYS 34 11.078 -2.819 0.344 238 1HE LYS 34 1HE LYS 34 9.429 -1.676 -1.170 239 2HE LYS 34 2HE LYS 34 10.365 -2.300 -2.529 240 1HZ LYS 34 1HZ LYS 34 9.997 -4.556 -1.616 241 2HZ LYS 34 2HZ LYS 34 8.584 -3.779 -2.069 242 3HZ LYS 34 3HZ LYS 34 9.016 -3.868 -0.423 243 H LEU 35 H LEU 35 10.849 1.737 -2.363 244 HA LEU 35 HA LEU 35 10.482 4.047 -1.028 245 1HB LEU 35 1HB LEU 35 8.122 3.588 -1.320 246 2HB LEU 35 2HB LEU 35 9.037 3.088 -2.729 247 HG LEU 35 HG LEU 35 8.959 0.776 -1.347 248 1HD1 LEU 35 11HD LEU 35 6.385 2.161 -0.708 249 2HD1 LEU 35 12HD LEU 35 7.611 1.536 0.407 250 3HD1 LEU 35 13HD LEU 35 6.671 0.427 -0.578 251 1HD2 LEU 35 21HD LEU 35 6.865 1.723 -3.291 252 2HD2 LEU 35 22HD LEU 35 7.247 0.043 -2.867 253 3HD2 LEU 35 23HD LEU 35 8.449 1.036 -3.676 254 H GLY 36 H GLY 36 9.762 4.578 1.028 255 1HA GLY 36 1HA GLY 36 9.790 2.378 2.955 256 2HA GLY 36 2HA GLY 36 10.227 4.046 3.310 257 H ILE 37 H ILE 37 7.498 3.106 1.375 258 HA ILE 37 HA ILE 37 5.855 4.453 3.331 259 HB ILE 37 HB ILE 37 5.062 3.517 0.565 260 1HG1 ILE 37 11HG ILE 37 6.794 5.349 0.706 261 2HG1 ILE 37 12HG ILE 37 5.325 5.818 -0.183 262 1HG2 ILE 37 21HG ILE 37 3.170 3.625 2.086 263 2HG2 ILE 37 22HG ILE 37 3.068 4.970 0.946 264 3HG2 ILE 37 23HG ILE 37 3.640 5.240 2.596 265 1HD1 ILE 37 11HD ILE 37 6.055 7.639 1.195 266 2HD1 ILE 37 12HD ILE 37 6.293 6.548 2.541 267 3HD1 ILE 37 13HD ILE 37 4.652 6.932 2.015 268 H PHE 38 H PHE 38 5.397 3.183 4.858 269 HA PHE 38 HA PHE 38 4.459 0.462 4.322 270 1HB PHE 38 1HB PHE 38 5.159 1.879 6.885 271 2HB PHE 38 2HB PHE 38 4.578 0.225 6.814 272 HD1 PHE 38 HD1 PHE 38 7.400 2.441 6.263 273 HD2 PHE 38 HD2 PHE 38 5.996 -1.552 5.972 274 HE1 PHE 38 HE1 PHE 38 9.709 1.681 6.030 275 HE2 PHE 38 HE2 PHE 38 8.291 -2.364 5.739 276 HZ PHE 38 HZ PHE 38 10.183 -0.751 5.766 277 H VAL 39 H VAL 39 2.539 -0.201 5.598 278 HA VAL 39 HA VAL 39 0.530 1.822 5.311 279 HB VAL 39 HB VAL 39 0.275 -1.003 6.419 280 1HG1 VAL 39 11HG VAL 39 -1.820 0.901 5.374 281 2HG1 VAL 39 12HG VAL 39 -1.584 0.440 7.061 282 3HG1 VAL 39 13HG VAL 39 -2.111 -0.762 5.881 283 1HG2 VAL 39 21HG VAL 39 -0.546 -1.633 4.185 284 2HG2 VAL 39 22HG VAL 39 1.118 -1.044 4.126 285 3HG2 VAL 39 23HG VAL 39 -0.198 -0.002 3.607 286 H LYS 40 H LYS 40 -0.279 2.979 6.925 287 HA LYS 40 HA LYS 40 1.093 2.781 9.483 288 1HB LYS 40 1HB LYS 40 1.092 4.974 8.511 289 2HB LYS 40 2HB LYS 40 -0.629 4.914 8.252 290 1HG LYS 40 1HG LYS 40 -0.319 6.409 10.027 291 2HG LYS 40 2HG LYS 40 -0.899 4.932 10.763 292 1HD LYS 40 1HD LYS 40 2.017 5.725 10.674 293 2HD LYS 40 2HD LYS 40 0.937 6.158 11.988 294 1HE LYS 40 1HE LYS 40 0.536 3.685 12.313 295 2HE LYS 40 2HE LYS 40 1.825 3.412 11.140 296 1HZ LYS 40 1HZ LYS 40 3.325 4.682 12.573 297 2HZ LYS 40 2HZ LYS 40 2.747 3.325 13.352 298 3HZ LYS 40 3HZ LYS 40 2.110 4.843 13.717 299 H THR 41 H THR 41 -2.173 2.990 8.140 300 HA THR 41 HA THR 41 -3.213 1.535 10.415 301 HB THR 41 HB THR 41 -4.647 3.926 9.540 302 HG1 THR 41 HG1 THR 41 -3.477 5.239 11.133 303 1HG2 THR 41 21HG THR 41 -5.398 3.971 11.905 304 2HG2 THR 41 22HG THR 41 -4.364 2.573 12.214 305 3HG2 THR 41 23HG THR 41 -5.716 2.441 11.085 306 H VAL 42 H VAL 42 -5.396 0.909 9.883 307 HA VAL 42 HA VAL 42 -6.184 1.263 7.133 308 HB VAL 42 HB VAL 42 -6.314 -1.386 8.671 309 1HG1 VAL 42 11HG VAL 42 -7.182 -0.690 5.889 310 2HG1 VAL 42 12HG VAL 42 -8.229 -1.161 7.230 311 3HG1 VAL 42 13HG VAL 42 -7.109 -2.333 6.508 312 1HG2 VAL 42 21HG VAL 42 -4.659 -0.684 6.249 313 2HG2 VAL 42 22HG VAL 42 -4.788 -2.283 6.978 314 3HG2 VAL 42 23HG VAL 42 -4.049 -0.959 7.880 315 H THR 43 H THR 43 -8.609 1.014 7.051 316 HA THR 43 HA THR 43 -9.973 2.129 9.191 317 HB THR 43 HB THR 43 -10.941 2.104 6.884 318 HG1 THR 43 HG1 THR 43 -12.536 2.390 8.257 319 1HG2 THR 43 21HG THR 43 -11.315 -0.834 7.375 320 2HG2 THR 43 22HG THR 43 -10.172 -0.133 6.225 321 3HG2 THR 43 23HG THR 43 -11.915 0.054 5.969 322 H GLU 44 H GLU 44 -11.541 1.033 10.597 323 HA GLU 44 HA GLU 44 -10.461 -0.872 12.181 324 1HB GLU 44 1HB GLU 44 -12.718 -1.108 13.118 325 2HB GLU 44 2HB GLU 44 -12.166 0.548 12.981 326 1HG GLU 44 1HG GLU 44 -13.480 0.807 10.962 327 2HG GLU 44 2HG GLU 44 -14.044 -0.859 11.126 328 H GLY 45 H GLY 45 -12.448 -1.365 9.392 329 1HA GLY 45 1HA GLY 45 -11.512 -4.054 9.226 330 2HA GLY 45 2HA GLY 45 -13.232 -3.969 9.581 331 H GLY 46 H GLY 46 -14.171 -2.096 8.185 332 1HA GLY 46 1HA GLY 46 -15.379 -2.040 6.299 333 2HA GLY 46 2HA GLY 46 -13.798 -1.667 5.615 334 H ALA 47 H ALA 47 -13.219 -2.791 4.279 335 HA ALA 47 HA ALA 47 -13.849 -5.676 4.069 336 1HB ALA 47 1HB ALA 47 -13.660 -3.755 1.743 337 2HB ALA 47 2HB ALA 47 -15.141 -4.509 2.354 338 3HB ALA 47 3HB ALA 47 -13.881 -5.497 1.621 339 H ALA 48 H ALA 48 -11.543 -3.706 4.843 340 HA ALA 48 HA ALA 48 -9.451 -4.747 3.045 341 1HB ALA 48 1HB ALA 48 -7.972 -3.070 4.068 342 2HB ALA 48 2HB ALA 48 -9.299 -2.538 5.102 343 3HB ALA 48 3HB ALA 48 -9.405 -2.346 3.348 344 H GLN 49 H GLN 49 -9.953 -4.186 6.573 345 HA GLN 49 HA GLN 49 -7.995 -6.237 7.047 346 1HB GLN 49 1HB GLN 49 -9.615 -4.460 8.792 347 2HB GLN 49 2HB GLN 49 -8.709 -5.810 9.506 348 1HG GLN 49 1HG GLN 49 -6.678 -4.831 8.376 349 2HG GLN 49 2HG GLN 49 -7.710 -3.460 7.958 350 1HE2 GLN 49 21HE GLN 49 -9.156 -3.367 10.399 351 2HE2 GLN 49 22HE GLN 49 -8.080 -2.843 11.623 352 H ARG 50 H ARG 50 -11.232 -6.031 6.464 353 HA ARG 50 HA ARG 50 -11.758 -8.602 7.619 354 1HB ARG 50 1HB ARG 50 -13.459 -6.696 6.092 355 2HB ARG 50 2HB ARG 50 -14.025 -8.293 6.570 356 1HG ARG 50 1HG ARG 50 -13.021 -6.184 8.444 357 2HG ARG 50 2HG ARG 50 -14.743 -6.471 8.149 358 1HD ARG 50 1HD ARG 50 -14.273 -7.602 10.165 359 2HD ARG 50 2HD ARG 50 -14.214 -8.880 8.959 360 HE ARG 50 HE ARG 50 -11.691 -7.604 9.597 361 1HH1 ARG 50 11HH ARG 50 -13.792 -10.384 10.279 362 2HH1 ARG 50 12HH ARG 50 -12.559 -11.298 10.999 363 1HH2 ARG 50 21HH ARG 50 -9.992 -8.906 10.594 364 2HH2 ARG 50 22HH ARG 50 -10.383 -10.455 11.166 365 H ASP 51 H ASP 51 -10.524 -7.336 4.703 366 HA ASP 51 HA ASP 51 -11.288 -9.478 2.965 367 1HB ASP 51 1HB ASP 51 -10.303 -7.437 2.002 368 2HB ASP 51 2HB ASP 51 -8.792 -7.738 2.850 369 H GLY 52 H GLY 52 -8.144 -8.834 4.433 370 1HA GLY 52 1HA GLY 52 -7.285 -10.486 6.010 371 2HA GLY 52 2HA GLY 52 -7.964 -11.724 4.966 372 H ARG 53 H ARG 53 -6.903 -10.175 2.537 373 HA ARG 53 HA ARG 53 -4.374 -11.557 2.600 374 1HB ARG 53 1HB ARG 53 -6.112 -11.150 0.590 375 2HB ARG 53 2HB ARG 53 -5.098 -9.747 0.329 376 1HG ARG 53 1HG ARG 53 -4.184 -12.635 0.303 377 2HG ARG 53 2HG ARG 53 -4.435 -11.605 -1.100 378 1HD ARG 53 1HD ARG 53 -2.615 -10.163 -0.383 379 2HD ARG 53 2HD ARG 53 -2.411 -11.125 1.077 380 HE ARG 53 HE ARG 53 -2.142 -12.510 -1.463 381 1HH1 ARG 53 11HH ARG 53 -0.499 -11.040 1.319 382 2HH1 ARG 53 12HH ARG 53 1.004 -11.752 0.982 383 1HH2 ARG 53 21HH ARG 53 -0.047 -13.455 -1.935 384 2HH2 ARG 53 22HH ARG 53 1.308 -13.128 -0.966 385 H ILE 54 H ILE 54 -5.514 -8.247 2.722 386 HA ILE 54 HA ILE 54 -2.771 -7.254 2.647 387 HB ILE 54 HB ILE 54 -4.687 -6.088 1.377 388 1HG1 ILE 54 11HG ILE 54 -3.194 -4.367 3.379 389 2HG1 ILE 54 12HG ILE 54 -2.483 -5.009 1.904 390 1HG2 ILE 54 21HG ILE 54 -6.058 -4.507 2.757 391 2HG2 ILE 54 22HG ILE 54 -5.387 -5.316 4.196 392 3HG2 ILE 54 23HG ILE 54 -6.399 -6.217 3.074 393 1HD1 ILE 54 11HD ILE 54 -4.067 -3.735 0.577 394 2HD1 ILE 54 12HD ILE 54 -3.135 -2.684 1.635 395 3HD1 ILE 54 13HD ILE 54 -4.810 -3.102 2.047 396 H GLN 55 H GLN 55 -1.851 -6.084 4.403 397 HA GLN 55 HA GLN 55 -3.319 -6.301 6.898 398 1HB GLN 55 1HB GLN 55 -0.427 -6.868 6.355 399 2HB GLN 55 2HB GLN 55 -1.074 -6.715 7.976 400 1HG GLN 55 1HG GLN 55 -2.473 -8.655 7.629 401 2HG GLN 55 2HG GLN 55 -1.948 -8.766 5.949 402 1HE2 GLN 55 21HE GLN 55 0.845 -8.151 6.485 403 2HE2 GLN 55 22HE GLN 55 1.500 -9.510 7.295 404 H VAL 56 H VAL 56 -2.337 -4.845 8.606 405 HA VAL 56 HA VAL 56 -1.878 -2.178 7.555 406 HB VAL 56 HB VAL 56 -3.314 -2.725 9.593 407 1HG1 VAL 56 11HG VAL 56 -2.000 -4.299 10.742 408 2HG1 VAL 56 12HG VAL 56 -2.171 -2.881 11.785 409 3HG1 VAL 56 13HG VAL 56 -0.668 -3.158 10.910 410 1HG2 VAL 56 21HG VAL 56 -2.649 -0.397 9.161 411 2HG2 VAL 56 22HG VAL 56 -1.139 -0.673 10.012 412 3HG2 VAL 56 23HG VAL 56 -2.665 -0.734 10.886 413 H ASN 57 H ASN 57 0.060 -4.784 8.238 414 HA ASN 57 HA ASN 57 2.311 -3.066 9.021 415 1HB ASN 57 1HB ASN 57 3.413 -5.008 9.934 416 2HB ASN 57 2HB ASN 57 1.753 -4.901 10.541 417 1HD2 ASN 57 21HD ASN 57 0.302 -6.555 10.080 418 2HD2 ASN 57 22HD ASN 57 0.792 -7.989 9.266 419 H ASP 58 H ASP 58 1.076 -3.840 6.347 420 HA ASP 58 HA ASP 58 3.410 -4.982 5.027 421 1HB ASP 58 1HB ASP 58 0.661 -4.314 3.934 422 2HB ASP 58 2HB ASP 58 1.987 -4.911 2.955 423 H GLN 59 H GLN 59 3.432 -3.858 2.624 424 HA GLN 59 HA GLN 59 3.901 -1.024 3.078 425 1HB GLN 59 1HB GLN 59 6.018 -2.006 3.475 426 2HB GLN 59 2HB GLN 59 5.844 -3.090 2.102 427 1HG GLN 59 1HG GLN 59 6.086 -1.290 0.579 428 2HG GLN 59 2HG GLN 59 6.075 -0.115 1.892 429 1HE2 GLN 59 21HE GLN 59 7.860 0.182 3.074 430 2HE2 GLN 59 22HE GLN 59 9.404 -0.466 2.637 431 H ILE 60 H ILE 60 3.172 0.189 1.442 432 HA ILE 60 HA ILE 60 1.735 -1.031 -0.731 433 HB ILE 60 HB ILE 60 2.390 1.898 -0.298 434 1HG1 ILE 60 11HG ILE 60 1.136 1.068 1.647 435 2HG1 ILE 60 12HG ILE 60 0.128 2.107 0.641 436 1HG2 ILE 60 21HG ILE 60 0.217 0.612 -1.915 437 2HG2 ILE 60 22HG ILE 60 1.712 1.250 -2.565 438 3HG2 ILE 60 23HG ILE 60 0.544 2.348 -1.801 439 1HD1 ILE 60 11HD ILE 60 -1.126 0.201 1.457 440 2HD1 ILE 60 12HD ILE 60 0.043 -0.896 0.729 441 3HD1 ILE 60 13HD ILE 60 -0.961 0.128 -0.302 442 H VAL 61 H VAL 61 2.804 -1.726 -2.539 443 HA VAL 61 HA VAL 61 5.342 -0.467 -3.245 444 HB VAL 61 HB VAL 61 4.002 -2.995 -4.249 445 1HG1 VAL 61 11HG VAL 61 5.250 -1.987 -6.089 446 2HG1 VAL 61 12HG VAL 61 5.953 -3.499 -5.534 447 3HG1 VAL 61 13HG VAL 61 6.710 -1.960 -5.084 448 1HG2 VAL 61 21HG VAL 61 4.924 -3.175 -2.046 449 2HG2 VAL 61 22HG VAL 61 6.490 -2.576 -2.612 450 3HG2 VAL 61 23HG VAL 61 5.863 -4.127 -3.189 451 H GLU 62 H GLU 62 2.293 -1.329 -4.749 452 HA GLU 62 HA GLU 62 2.340 1.107 -6.279 453 1HB GLU 62 1HB GLU 62 3.466 -0.206 -7.875 454 2HB GLU 62 2HB GLU 62 2.474 -1.619 -7.572 455 1HG GLU 62 1HG GLU 62 0.598 -0.618 -8.617 456 2HG GLU 62 2HG GLU 62 1.410 0.931 -8.736 457 H VAL 63 H VAL 63 0.392 1.948 -6.223 458 HA VAL 63 HA VAL 63 -1.879 0.126 -6.026 459 HB VAL 63 HB VAL 63 -1.362 2.777 -4.638 460 1HG1 VAL 63 11HG VAL 63 -3.750 2.965 -4.167 461 2HG1 VAL 63 12HG VAL 63 -4.073 1.602 -5.259 462 3HG1 VAL 63 13HG VAL 63 -3.389 3.109 -5.891 463 1HG2 VAL 63 21HG VAL 63 -0.973 0.629 -3.526 464 2HG2 VAL 63 22HG VAL 63 -2.663 0.208 -3.798 465 3HG2 VAL 63 23HG VAL 63 -2.251 1.582 -2.768 466 H ASP 64 H ASP 64 -3.262 0.191 -7.567 467 HA ASP 64 HA ASP 64 -4.475 0.770 -9.404 468 1HB ASP 64 1HB ASP 64 -4.972 2.760 -7.873 469 2HB ASP 64 2HB ASP 64 -3.773 3.658 -8.791 470 H GLY 65 H GLY 65 -1.450 0.558 -9.478 471 1HA GLY 65 1HA GLY 65 0.045 0.337 -11.225 472 2HA GLY 65 2HA GLY 65 -1.146 1.068 -12.298 473 H ILE 66 H ILE 66 -0.480 2.837 -9.431 474 HA ILE 66 HA ILE 66 0.548 4.969 -11.021 475 HB ILE 66 HB ILE 66 -1.044 4.999 -8.836 476 1HG1 ILE 66 11HG ILE 66 1.022 7.135 -9.426 477 2HG1 ILE 66 12HG ILE 66 -0.454 6.878 -10.357 478 1HG2 ILE 66 21HG ILE 66 0.610 4.100 -7.316 479 2HG2 ILE 66 22HG ILE 66 0.194 5.760 -6.870 480 3HG2 ILE 66 23HG ILE 66 1.715 5.421 -7.699 481 1HD1 ILE 66 11HD ILE 66 -0.714 8.721 -8.823 482 2HD1 ILE 66 12HD ILE 66 -0.255 7.661 -7.488 483 3HD1 ILE 66 13HD ILE 66 -1.766 7.371 -8.358 484 H SER 67 H SER 67 2.010 2.426 -9.387 485 HA SER 67 HA SER 67 3.926 2.116 -8.206 486 1HB SER 67 1HB SER 67 5.913 2.555 -9.978 487 2HB SER 67 2HB SER 67 4.763 1.216 -10.089 488 HG SER 67 HG SER 67 3.769 2.102 -11.629 489 H LEU 68 H LEU 68 3.818 3.354 -6.522 490 HA LEU 68 HA LEU 68 5.085 5.890 -6.623 491 1HB LEU 68 1HB LEU 68 4.072 6.236 -4.408 492 2HB LEU 68 2HB LEU 68 2.937 5.819 -5.654 493 HG LEU 68 HG LEU 68 2.141 4.869 -3.744 494 1HD1 LEU 68 11HD LEU 68 1.869 2.629 -3.990 495 2HD1 LEU 68 12HD LEU 68 3.309 2.471 -4.944 496 3HD1 LEU 68 13HD LEU 68 1.913 3.390 -5.580 497 1HD2 LEU 68 21HD LEU 68 4.817 3.678 -3.084 498 2HD2 LEU 68 22HD LEU 68 3.327 3.362 -2.192 499 3HD2 LEU 68 23HD LEU 68 3.999 4.993 -2.240 500 H VAL 69 H VAL 69 6.780 3.807 -6.992 501 HA VAL 69 HA VAL 69 8.074 2.912 -4.622 502 HB VAL 69 HB VAL 69 9.139 2.865 -7.450 503 1HG1 VAL 69 11HG VAL 69 10.899 2.513 -5.805 504 2HG1 VAL 69 12HG VAL 69 10.576 1.027 -6.693 505 3HG1 VAL 69 13HG VAL 69 9.968 1.219 -5.049 506 1HG2 VAL 69 21HG VAL 69 7.575 0.757 -5.954 507 2HG2 VAL 69 22HG VAL 69 8.303 0.550 -7.545 508 3HG2 VAL 69 23HG VAL 69 6.998 1.713 -7.317 509 H GLY 70 H GLY 70 8.600 4.703 -3.473 510 1HA GLY 70 1HA GLY 70 10.698 5.710 -2.730 511 2HA GLY 70 2HA GLY 70 11.038 6.074 -4.419 512 H VAL 71 H VAL 71 7.952 6.509 -2.895 513 HA VAL 71 HA VAL 71 8.278 9.389 -3.407 514 HB VAL 71 HB VAL 71 5.858 9.639 -3.449 515 1HG1 VAL 71 11HG VAL 71 6.938 9.077 -5.525 516 2HG1 VAL 71 12HG VAL 71 5.334 8.348 -5.446 517 3HG1 VAL 71 13HG VAL 71 6.767 7.356 -5.179 518 1HG2 VAL 71 21HG VAL 71 4.342 7.770 -3.215 519 2HG2 VAL 71 22HG VAL 71 5.327 7.925 -1.762 520 3HG2 VAL 71 23HG VAL 71 5.692 6.664 -2.943 521 H THR 72 H THR 72 6.740 10.745 -1.911 522 HA THR 72 HA THR 72 7.595 10.143 0.785 523 HB THR 72 HB THR 72 6.655 12.405 1.276 524 HG1 THR 72 HG1 THR 72 6.621 13.171 -1.352 525 1HG2 THR 72 21HG THR 72 8.454 13.643 0.133 526 2HG2 THR 72 22HG THR 72 8.737 12.228 -0.902 527 3HG2 THR 72 23HG THR 72 8.979 12.121 0.851 528 H GLN 73 H GLN 73 5.930 10.887 2.406 529 HA GLN 73 HA GLN 73 3.741 9.125 2.147 530 1HB GLN 73 1HB GLN 73 3.387 9.376 4.404 531 2HB GLN 73 2HB GLN 73 4.974 10.099 4.308 532 1HG GLN 73 1HG GLN 73 2.424 11.659 4.260 533 2HG GLN 73 2HG GLN 73 3.318 11.310 5.733 534 1HE2 GLN 73 21HE GLN 73 5.916 11.642 4.396 535 2HE2 GLN 73 22HE GLN 73 6.091 13.322 4.133 536 H ASN 74 H ASN 74 4.157 12.432 1.387 537 HA ASN 74 HA ASN 74 1.444 13.276 1.422 538 1HB ASN 74 1HB ASN 74 3.485 14.270 -0.579 539 2HB ASN 74 2HB ASN 74 2.078 15.125 0.025 540 1HD2 ASN 74 21HD ASN 74 5.317 14.269 0.500 541 2HD2 ASN 74 22HD ASN 74 5.631 15.215 1.907 542 H PHE 75 H PHE 75 3.555 11.989 -1.059 543 HA PHE 75 HA PHE 75 1.709 12.062 -3.141 544 1HB PHE 75 1HB PHE 75 4.211 11.795 -3.382 545 2HB PHE 75 2HB PHE 75 4.000 10.138 -2.841 546 HD1 PHE 75 HD1 PHE 75 2.647 8.533 -4.264 547 HD2 PHE 75 HD2 PHE 75 3.816 12.394 -5.634 548 HE1 PHE 75 HE1 PHE 75 2.234 7.829 -6.544 549 HE2 PHE 75 HE2 PHE 75 3.396 11.688 -7.952 550 HZ PHE 75 HZ PHE 75 2.606 9.405 -8.421 551 H ALA 76 H ALA 76 2.821 9.469 -1.015 552 HA ALA 76 HA ALA 76 1.200 7.451 -2.053 553 1HB ALA 76 1HB ALA 76 2.310 7.646 0.732 554 2HB ALA 76 2HB ALA 76 3.154 7.018 -0.692 555 3HB ALA 76 3HB ALA 76 1.722 6.188 -0.075 556 H ALA 77 H ALA 77 0.574 9.617 0.744 557 HA ALA 77 HA ALA 77 -1.861 8.456 1.509 558 1HB ALA 77 1HB ALA 77 -0.658 10.085 2.909 559 2HB ALA 77 2HB ALA 77 -2.331 10.581 2.643 560 3HB ALA 77 3HB ALA 77 -1.028 11.354 1.741 561 H THR 78 H THR 78 -1.048 10.774 -0.930 562 HA THR 78 HA THR 78 -3.656 11.519 -1.657 563 HB THR 78 HB THR 78 -1.059 11.520 -3.211 564 HG1 THR 78 HG1 THR 78 -1.019 12.882 -1.490 565 1HG2 THR 78 21HG THR 78 -2.946 11.497 -4.755 566 2HG2 THR 78 22HG THR 78 -2.179 13.092 -4.761 567 3HG2 THR 78 23HG THR 78 -3.699 12.834 -3.895 568 H VAL 79 H VAL 79 -1.480 8.995 -2.852 569 HA VAL 79 HA VAL 79 -3.129 8.006 -4.906 570 HB VAL 79 HB VAL 79 -1.182 6.346 -3.257 571 1HG1 VAL 79 11HG VAL 79 -2.204 5.975 -6.055 572 2HG1 VAL 79 12HG VAL 79 -2.677 5.048 -4.635 573 3HG1 VAL 79 13HG VAL 79 -1.017 4.960 -5.228 574 1HG2 VAL 79 21HG VAL 79 -0.035 8.289 -4.061 575 2HG2 VAL 79 22HG VAL 79 -0.727 8.085 -5.654 576 3HG2 VAL 79 23HG VAL 79 0.450 6.905 -5.045 577 H LEU 80 H LEU 80 -2.740 6.839 -1.581 578 HA LEU 80 HA LEU 80 -4.849 4.933 -1.760 579 1HB LEU 80 1HB LEU 80 -3.369 6.070 0.613 580 2HB LEU 80 2HB LEU 80 -4.651 4.900 0.795 581 HG LEU 80 HG LEU 80 -2.611 3.717 0.982 582 1HD1 LEU 80 11HD LEU 80 -2.711 2.101 -0.757 583 2HD1 LEU 80 12HD LEU 80 -3.573 3.227 -1.797 584 3HD1 LEU 80 13HD LEU 80 -4.343 2.631 -0.327 585 1HD2 LEU 80 21HD LEU 80 -1.730 4.908 -1.640 586 2HD2 LEU 80 22HD LEU 80 -0.847 3.700 -0.706 587 3HD2 LEU 80 23HD LEU 80 -1.088 5.321 -0.052 588 H ARG 81 H ARG 81 -5.051 8.135 -1.729 589 HA ARG 81 HA ARG 81 -7.642 8.413 -0.330 590 1HB ARG 81 1HB ARG 81 -5.968 10.116 -0.014 591 2HB ARG 81 2HB ARG 81 -5.811 10.312 -1.746 592 1HG ARG 81 1HG ARG 81 -8.306 10.953 -1.663 593 2HG ARG 81 2HG ARG 81 -8.001 11.212 0.064 594 1HD ARG 81 1HD ARG 81 -6.512 12.332 -2.229 595 2HD ARG 81 2HD ARG 81 -7.631 13.256 -1.203 596 HE ARG 81 HE ARG 81 -5.830 12.256 0.570 597 1HH1 ARG 81 11HH ARG 81 -5.450 14.347 -2.273 598 2HH1 ARG 81 12HH ARG 81 -3.913 14.910 -1.839 599 1HH2 ARG 81 21HH ARG 81 -3.770 13.071 1.209 600 2HH2 ARG 81 22HH ARG 81 -2.926 14.184 0.227 601 H ASN 82 H ASN 82 -6.072 8.518 -3.447 602 HA ASN 82 HA ASN 82 -8.318 9.484 -4.920 603 1HB ASN 82 1HB ASN 82 -5.583 8.509 -5.707 604 2HB ASN 82 2HB ASN 82 -6.835 8.750 -6.901 605 1HD2 ASN 82 21HD ASN 82 -6.287 10.778 -4.100 606 2HD2 ASN 82 22HD ASN 82 -5.895 12.190 -5.017 607 H THR 83 H THR 83 -7.534 6.480 -3.715 608 HA THR 83 HA THR 83 -8.299 4.796 -5.814 609 HB THR 83 HB THR 83 -8.454 3.196 -3.808 610 HG1 THR 83 HG1 THR 83 -8.681 4.784 -2.215 611 1HG2 THR 83 21HG THR 83 -5.911 4.707 -4.420 612 2HG2 THR 83 22HG THR 83 -6.543 3.350 -5.349 613 3HG2 THR 83 23HG THR 83 -6.006 3.109 -3.687 614 H LYS 84 H LYS 84 -10.074 3.312 -5.700 615 HA LYS 84 HA LYS 84 -12.523 4.441 -4.573 616 1HB LYS 84 1HB LYS 84 -11.995 3.079 -7.215 617 2HB LYS 84 2HB LYS 84 -13.617 3.252 -6.569 618 1HG LYS 84 1HG LYS 84 -11.754 5.539 -7.155 619 2HG LYS 84 2HG LYS 84 -13.043 4.977 -8.225 620 1HD LYS 84 1HD LYS 84 -14.672 5.393 -6.426 621 2HD LYS 84 2HD LYS 84 -13.369 6.016 -5.426 622 1HE LYS 84 1HE LYS 84 -12.935 7.805 -6.979 623 2HE LYS 84 2HE LYS 84 -14.139 7.172 -8.102 624 1HZ LYS 84 1HZ LYS 84 -14.721 8.181 -5.366 625 2HZ LYS 84 2HZ LYS 84 -15.854 7.630 -6.476 626 3HZ LYS 84 3HZ LYS 84 -14.983 9.029 -6.796 627 H GLY 85 H GLY 85 -14.131 2.243 -5.174 628 1HA GLY 85 1HA GLY 85 -13.738 0.475 -3.098 629 2HA GLY 85 2HA GLY 85 -14.733 0.170 -4.514 630 H ASN 86 H ASN 86 -13.290 -0.369 -6.533 631 HA ASN 86 HA ASN 86 -11.809 -2.709 -5.695 632 1HB ASN 86 1HB ASN 86 -12.455 -1.684 -8.461 633 2HB ASN 86 2HB ASN 86 -11.597 -3.186 -8.141 634 1HD2 ASN 86 21HD ASN 86 -12.769 -4.959 -7.282 635 2HD2 ASN 86 22HD ASN 86 -14.490 -4.986 -7.315 636 H VAL 87 H VAL 87 -9.840 -2.485 -5.096 637 HA VAL 87 HA VAL 87 -8.133 -0.483 -6.457 638 HB VAL 87 HB VAL 87 -7.496 -1.567 -3.790 639 1HG1 VAL 87 11HG VAL 87 -6.894 1.054 -5.107 640 2HG1 VAL 87 12HG VAL 87 -5.814 -0.327 -4.923 641 3HG1 VAL 87 13HG VAL 87 -6.357 0.559 -3.497 642 1HG2 VAL 87 21HG VAL 87 -9.751 -0.846 -3.572 643 2HG2 VAL 87 22HG VAL 87 -9.348 0.764 -4.205 644 3HG2 VAL 87 23HG VAL 87 -8.659 0.189 -2.667 645 H ARG 88 H ARG 88 -6.293 -1.265 -7.286 646 HA ARG 88 HA ARG 88 -5.546 -3.997 -6.553 647 1HB ARG 88 1HB ARG 88 -4.942 -2.352 -8.998 648 2HB ARG 88 2HB ARG 88 -4.063 -3.830 -8.610 649 1HG ARG 88 1HG ARG 88 -6.058 -5.120 -8.708 650 2HG ARG 88 2HG ARG 88 -7.051 -3.676 -8.934 651 1HD ARG 88 1HD ARG 88 -6.072 -3.269 -11.040 652 2HD ARG 88 2HD ARG 88 -4.894 -4.587 -10.827 653 HE ARG 88 HE ARG 88 -7.697 -5.318 -10.712 654 1HH1 ARG 88 11HH ARG 88 -4.861 -4.997 -12.805 655 2HH1 ARG 88 12HH ARG 88 -5.438 -6.069 -13.992 656 1HH2 ARG 88 21HH ARG 88 -8.486 -6.766 -12.285 657 2HH2 ARG 88 22HH ARG 88 -7.606 -7.118 -13.688 658 H PHE 89 H PHE 89 -4.553 -3.866 -4.804 659 HA PHE 89 HA PHE 89 -2.378 -1.978 -4.406 660 1HB PHE 89 1HB PHE 89 -3.390 -4.227 -2.639 661 2HB PHE 89 2HB PHE 89 -2.167 -3.055 -2.201 662 HD1 PHE 89 HD1 PHE 89 -2.792 -0.769 -1.690 663 HD2 PHE 89 HD2 PHE 89 -5.706 -3.720 -2.564 664 HE1 PHE 89 HE1 PHE 89 -4.520 0.656 -0.690 665 HE2 PHE 89 HE2 PHE 89 -7.452 -2.283 -1.571 666 HZ PHE 89 HZ PHE 89 -6.853 -0.100 -0.632 667 H VAL 90 H VAL 90 -0.606 -2.594 -5.544 668 HA VAL 90 HA VAL 90 0.023 -5.415 -5.560 669 HB VAL 90 HB VAL 90 1.385 -3.115 -7.009 670 1HG1 VAL 90 11HG VAL 90 2.563 -4.872 -8.283 671 2HG1 VAL 90 12HG VAL 90 1.794 -6.100 -7.277 672 3HG1 VAL 90 13HG VAL 90 2.929 -4.958 -6.559 673 1HG2 VAL 90 21HG VAL 90 0.385 -4.028 -9.050 674 2HG2 VAL 90 22HG VAL 90 -0.852 -3.532 -7.892 675 3HG2 VAL 90 23HG VAL 90 -0.457 -5.243 -8.088 676 H ILE 91 H ILE 91 0.539 -5.547 -3.472 677 HA ILE 91 HA ILE 91 2.696 -3.940 -2.397 678 HB ILE 91 HB ILE 91 0.572 -5.720 -1.253 679 1HG1 ILE 91 11HG ILE 91 1.250 -2.858 -0.747 680 2HG1 ILE 91 12HG ILE 91 0.036 -3.379 -1.907 681 1HG2 ILE 91 21HG ILE 91 2.826 -4.494 0.337 682 2HG2 ILE 91 22HG ILE 91 2.588 -6.214 0.035 683 3HG2 ILE 91 23HG ILE 91 1.412 -5.320 0.998 684 1HD1 ILE 91 11HD ILE 91 -0.911 -2.630 0.093 685 2HD1 ILE 91 12HD ILE 91 0.024 -3.827 1.031 686 3HD1 ILE 91 13HD ILE 91 -1.203 -4.359 -0.161 687 H GLY 92 H GLY 92 4.421 -5.003 -1.494 688 1HA GLY 92 1HA GLY 92 4.663 -7.765 -2.263 689 2HA GLY 92 2HA GLY 92 5.906 -6.673 -2.840 690 H ARG 93 H ARG 93 5.627 -8.902 -0.760 691 HA ARG 93 HA ARG 93 7.381 -7.718 1.244 692 1HB ARG 93 1HB ARG 93 4.796 -7.443 1.693 693 2HB ARG 93 2HB ARG 93 5.018 -9.125 2.179 694 1HG ARG 93 1HG ARG 93 7.037 -8.230 3.524 695 2HG ARG 93 2HG ARG 93 6.238 -6.664 3.360 696 1HD ARG 93 1HD ARG 93 5.636 -7.682 5.363 697 2HD ARG 93 2HD ARG 93 4.219 -7.649 4.276 698 HE ARG 93 HE ARG 93 5.932 -10.041 4.532 699 1HH1 ARG 93 11HH ARG 93 2.646 -8.620 4.679 700 2HH1 ARG 93 12HH ARG 93 1.900 -10.128 4.711 701 1HH2 ARG 93 21HH ARG 93 4.911 -12.011 4.572 702 2HH2 ARG 93 22HH ARG 93 3.209 -12.151 4.636 703 H GLU 94 H GLU 94 8.210 -9.446 2.591 704 HA GLU 94 HA GLU 94 7.994 -12.025 1.345 705 1HB GLU 94 1HB GLU 94 9.976 -12.626 2.751 706 2HB GLU 94 2HB GLU 94 10.260 -11.301 1.644 707 1HG GLU 94 1HG GLU 94 9.675 -10.961 4.563 708 2HG GLU 94 2HG GLU 94 11.300 -11.065 3.888 Start of MODEL 2 1 1H GLY 1 1H GLY 1 12.568 -15.369 -3.963 2 2H GLY 1 2H GLY 1 13.823 -14.238 -4.123 3 3H GLY 1 3H GLY 1 12.290 -13.865 -4.702 4 1HA GLY 1 1HA GLY 1 11.411 -13.850 -2.508 5 2HA GLY 1 2HA GLY 1 13.004 -14.246 -1.872 6 H HIS 2 H HIS 2 13.251 -12.332 -0.741 7 HA HIS 2 HA HIS 2 13.600 -10.186 -0.305 8 1HB HIS 2 1HB HIS 2 14.851 -10.266 -3.053 9 2HB HIS 2 2HB HIS 2 14.932 -8.850 -2.012 10 HD1 HIS 2 HD1 HIS 2 16.638 -12.018 -2.701 11 HD2 HIS 2 HD2 HIS 2 16.310 -9.364 0.477 12 HE1 HIS 2 HE1 HIS 2 18.569 -12.528 -1.163 13 H MET 3 H MET 3 11.306 -10.257 -0.376 14 HA MET 3 HA MET 3 9.391 -9.330 -0.581 15 1HB MET 3 1HB MET 3 10.441 -7.245 -0.163 16 2HB MET 3 2HB MET 3 10.858 -7.041 -1.858 17 1HG MET 3 1HG MET 3 8.612 -6.735 -2.490 18 2HG MET 3 2HG MET 3 8.020 -7.309 -0.935 19 1HE MET 3 1HE MET 3 8.768 -4.360 1.455 20 2HE MET 3 2HE MET 3 9.728 -5.813 1.203 21 3HE MET 3 3HE MET 3 7.968 -5.916 1.246 22 H GLU 4 H GLU 4 8.368 -10.630 -1.497 23 HA GLU 4 HA GLU 4 8.200 -11.035 -4.362 24 1HB GLU 4 1HB GLU 4 8.198 -12.901 -2.804 25 2HB GLU 4 2HB GLU 4 6.822 -12.195 -1.973 26 1HG GLU 4 1HG GLU 4 5.390 -12.651 -3.791 27 2HG GLU 4 2HG GLU 4 6.740 -13.106 -4.830 28 H LEU 5 H LEU 5 6.987 -9.727 -5.473 29 HA LEU 5 HA LEU 5 4.948 -8.202 -4.127 30 1HB LEU 5 1HB LEU 5 5.722 -8.079 -7.053 31 2HB LEU 5 2HB LEU 5 4.720 -6.943 -6.174 32 HG LEU 5 HG LEU 5 6.693 -5.842 -6.421 33 1HD1 LEU 5 1HD1 LEU 5 5.873 -5.690 -4.185 34 2HD1 LEU 5 2HD1 LEU 5 7.634 -5.547 -4.230 35 3HD1 LEU 5 3HD1 LEU 5 6.880 -7.061 -3.716 36 1HD2 LEU 5 1HD2 LEU 5 8.934 -6.711 -5.965 37 2HD2 LEU 5 2HD2 LEU 5 8.123 -7.683 -7.196 38 3HD2 LEU 5 3HD2 LEU 5 8.240 -8.270 -5.536 39 H PHE 6 H PHE 6 2.841 -8.474 -4.314 40 HA PHE 6 HA PHE 6 1.796 -10.333 -6.249 41 1HB PHE 6 1HB PHE 6 0.335 -11.173 -4.289 42 2HB PHE 6 2HB PHE 6 1.914 -11.912 -4.515 43 HD1 PHE 6 HD1 PHE 6 -0.228 -9.713 -2.578 44 HD2 PHE 6 HD2 PHE 6 3.620 -11.504 -2.796 45 HE1 PHE 6 HE1 PHE 6 0.194 -9.093 -0.213 46 HE2 PHE 6 HE2 PHE 6 4.051 -10.913 -0.483 47 HZ PHE 6 HZ PHE 6 2.342 -9.697 0.835 48 HA PRO 7 HA PRO 7 -1.342 -7.249 -6.279 49 1HB PRO 7 1HB PRO 7 -3.086 -8.389 -7.830 50 2HB PRO 7 2HB PRO 7 -1.495 -7.935 -8.437 51 1HG PRO 7 1HG PRO 7 -2.436 -10.674 -7.573 52 2HG PRO 7 2HG PRO 7 -1.487 -10.244 -9.019 53 1HD PRO 7 1HD PRO 7 -0.476 -11.192 -6.627 54 2HD PRO 7 2HD PRO 7 0.448 -10.216 -7.803 55 H VAL 8 H VAL 8 -2.756 -6.774 -4.785 56 HA VAL 8 HA VAL 8 -4.579 -8.840 -3.887 57 HB VAL 8 HB VAL 8 -3.965 -6.240 -2.484 58 1HG1 VAL 8 1HG1 VAL 8 -4.987 -7.289 -0.523 59 2HG1 VAL 8 2HG1 VAL 8 -5.400 -8.686 -1.526 60 3HG1 VAL 8 3HG1 VAL 8 -6.088 -7.101 -1.889 61 1HG2 VAL 8 1HG2 VAL 8 -2.774 -8.954 -1.954 62 2HG2 VAL 8 2HG2 VAL 8 -2.596 -7.544 -0.898 63 3HG2 VAL 8 3HG2 VAL 8 -1.946 -7.511 -2.543 64 H GLU 9 H GLU 9 -6.402 -8.582 -5.036 65 HA GLU 9 HA GLU 9 -7.213 -5.934 -5.904 66 1HB GLU 9 1HB GLU 9 -7.367 -7.826 -7.499 67 2HB GLU 9 2HB GLU 9 -8.461 -8.652 -6.402 68 1HG GLU 9 1HG GLU 9 -10.111 -6.873 -6.702 69 2HG GLU 9 2HG GLU 9 -9.009 -6.034 -7.790 70 H LEU 10 H LEU 10 -8.202 -4.782 -4.389 71 HA LEU 10 HA LEU 10 -9.712 -6.186 -2.306 72 1HB LEU 10 1HB LEU 10 -7.805 -4.313 -2.166 73 2HB LEU 10 2HB LEU 10 -9.203 -3.273 -2.346 74 HG LEU 10 HG LEU 10 -8.724 -3.368 -0.050 75 1HD1 LEU 10 1HD1 LEU 10 -10.663 -4.419 0.986 76 2HD1 LEU 10 2HD1 LEU 10 -10.972 -5.287 -0.510 77 3HD1 LEU 10 3HD1 LEU 10 -11.082 -3.532 -0.480 78 1HD2 LEU 10 1HD2 LEU 10 -8.446 -5.438 1.209 79 2HD2 LEU 10 2HD2 LEU 10 -7.231 -5.256 -0.055 80 3HD2 LEU 10 3HD2 LEU 10 -8.587 -6.361 -0.286 81 H GLU 11 H GLU 11 -11.920 -5.844 -2.251 82 HA GLU 11 HA GLU 11 -12.968 -3.850 -4.100 83 1HB GLU 11 1HB GLU 11 -13.723 -6.176 -4.500 84 2HB GLU 11 2HB GLU 11 -14.367 -6.237 -2.868 85 1HG GLU 11 1HG GLU 11 -15.976 -4.510 -3.415 86 2HG GLU 11 2HG GLU 11 -15.298 -4.370 -5.038 87 H LYS 12 H LYS 12 -12.444 -2.205 -2.594 88 HA LYS 12 HA LYS 12 -13.616 -2.176 -0.076 89 1HB LYS 12 1HB LYS 12 -11.633 -0.700 -1.506 90 2HB LYS 12 2HB LYS 12 -12.786 0.409 -0.802 91 1HG LYS 12 1HG LYS 12 -11.503 -1.813 0.630 92 2HG LYS 12 2HG LYS 12 -10.824 -0.164 0.672 93 1HD LYS 12 1HD LYS 12 -13.212 0.560 1.405 94 2HD LYS 12 2HD LYS 12 -13.476 -1.148 1.759 95 1HE LYS 12 1HE LYS 12 -12.306 -1.021 3.693 96 2HE LYS 12 2HE LYS 12 -11.221 0.257 3.139 97 1HZ LYS 12 1HZ LYS 12 -13.090 1.780 3.170 98 2HZ LYS 12 2HZ LYS 12 -12.953 1.185 4.696 99 3HZ LYS 12 3HZ LYS 12 -14.145 0.589 3.618 100 H ASP 13 H ASP 13 -14.743 -0.103 0.566 101 HA ASP 13 HA ASP 13 -17.356 -0.037 -0.503 102 1HB ASP 13 1HB ASP 13 -16.061 1.858 1.482 103 2HB ASP 13 2HB ASP 13 -17.762 1.479 1.318 104 H GLU 14 H GLU 14 -18.355 2.193 -1.039 105 HA GLU 14 HA GLU 14 -16.853 3.468 -3.112 106 1HB GLU 14 1HB GLU 14 -18.720 5.051 -3.302 107 2HB GLU 14 2HB GLU 14 -19.310 3.399 -3.224 108 1HG GLU 14 1HG GLU 14 -20.025 3.683 -0.981 109 2HG GLU 14 2HG GLU 14 -19.207 5.242 -0.853 110 H ASP 15 H ASP 15 -17.173 3.950 0.202 111 HA ASP 15 HA ASP 15 -16.446 6.648 0.546 112 1HB ASP 15 1HB ASP 15 -17.372 5.197 2.300 113 2HB ASP 15 2HB ASP 15 -15.889 4.265 2.305 114 H GLY 16 H GLY 16 -14.628 3.759 -0.026 115 1HA GLY 16 1HA GLY 16 -12.475 3.931 -1.131 116 2HA GLY 16 2HA GLY 16 -12.132 5.333 -0.103 117 H LEU 17 H LEU 17 -10.206 4.233 0.566 118 HA LEU 17 HA LEU 17 -10.477 1.690 1.918 119 1HB LEU 17 1HB LEU 17 -8.053 3.446 2.055 120 2HB LEU 17 2HB LEU 17 -8.175 1.712 2.225 121 HG LEU 17 HG LEU 17 -8.393 3.309 -0.247 122 1HD1 LEU 17 1HD1 LEU 17 -6.155 3.146 0.501 123 2HD1 LEU 17 2HD1 LEU 17 -6.331 2.001 -0.839 124 3HD1 LEU 17 3HD1 LEU 17 -6.326 1.426 0.821 125 1HD2 LEU 17 1HD2 LEU 17 -8.462 1.138 -1.439 126 2HD2 LEU 17 2HD2 LEU 17 -9.897 1.437 -0.460 127 3HD2 LEU 17 3HD2 LEU 17 -8.654 0.318 0.113 128 H GLY 18 H GLY 18 -9.667 5.014 2.639 129 1HA GLY 18 1HA GLY 18 -9.710 6.227 4.572 130 2HA GLY 18 2HA GLY 18 -10.718 4.959 5.267 131 H ILE 19 H ILE 19 -7.535 4.388 3.889 132 HA ILE 19 HA ILE 19 -6.718 3.516 6.568 133 HB ILE 19 HB ILE 19 -5.015 2.126 5.605 134 1HG1 ILE 19 1HG1 ILE 19 -5.806 3.209 2.892 135 2HG1 ILE 19 2HG1 ILE 19 -4.356 3.663 3.784 136 1HG2 ILE 19 1HG2 ILE 19 -6.386 0.599 4.236 137 2HG2 ILE 19 2HG2 ILE 19 -7.587 1.885 4.069 138 3HG2 ILE 19 3HG2 ILE 19 -7.263 1.202 5.646 139 1HD1 ILE 19 1HD1 ILE 19 -4.998 0.898 2.771 140 2HD1 ILE 19 2HD1 ILE 19 -3.561 1.353 3.683 141 3HD1 ILE 19 3HD1 ILE 19 -3.827 2.019 2.073 142 H SER 20 H SER 20 -4.078 3.566 6.632 143 HA SER 20 HA SER 20 -3.219 6.316 6.048 144 1HB SER 20 1HB SER 20 -3.091 4.922 8.731 145 2HB SER 20 2HB SER 20 -2.476 6.536 8.403 146 HG SER 20 HG SER 20 -4.936 6.481 7.556 147 H ILE 21 H ILE 21 -0.981 6.542 5.930 148 HA ILE 21 HA ILE 21 0.542 4.028 5.642 149 HB ILE 21 HB ILE 21 1.800 5.084 3.841 150 1HG1 ILE 21 1HG1 ILE 21 0.448 7.337 2.959 151 2HG1 ILE 21 2HG1 ILE 21 0.318 7.490 4.684 152 1HG2 ILE 21 1HG2 ILE 21 -0.141 3.810 3.199 153 2HG2 ILE 21 2HG2 ILE 21 0.067 5.183 2.110 154 3HG2 ILE 21 3HG2 ILE 21 -1.165 5.236 3.370 155 1HD1 ILE 21 1HD1 ILE 21 2.246 8.710 3.809 156 2HD1 ILE 21 2HD1 ILE 21 2.937 7.228 3.202 157 3HD1 ILE 21 3HD1 ILE 21 2.740 7.459 4.934 158 H ILE 22 H ILE 22 2.847 4.279 6.026 159 HA ILE 22 HA ILE 22 3.519 6.691 7.487 160 HB ILE 22 HB ILE 22 3.152 4.962 9.156 161 1HG1 ILE 22 1HG1 ILE 22 6.108 5.526 8.869 162 2HG1 ILE 22 2HG1 ILE 22 4.928 6.622 9.575 163 1HG2 ILE 22 1HG2 ILE 22 4.544 2.953 9.303 164 2HG2 ILE 22 2HG2 ILE 22 5.248 3.371 7.737 165 3HG2 ILE 22 3HG2 ILE 22 3.527 2.991 7.857 166 1HD1 ILE 22 1HD1 ILE 22 4.500 5.009 11.359 167 2HD1 ILE 22 2HD1 ILE 22 6.201 5.466 11.286 168 3HD1 ILE 22 3HD1 ILE 22 5.679 3.910 10.642 169 H GLY 23 H GLY 23 5.347 7.658 6.912 170 1HA GLY 23 1HA GLY 23 6.647 6.428 4.636 171 2HA GLY 23 2HA GLY 23 6.727 8.137 5.049 172 H MET 24 H MET 24 8.119 5.061 5.354 173 HA MET 24 HA MET 24 10.112 6.114 7.233 174 1HB MET 24 1HB MET 24 9.540 3.258 6.403 175 2HB MET 24 2HB MET 24 10.806 3.742 7.516 176 1HG MET 24 1HG MET 24 7.851 4.090 7.921 177 2HG MET 24 2HG MET 24 8.830 2.854 8.688 178 1HE MET 24 1HE MET 24 11.206 5.170 10.922 179 2HE MET 24 2HE MET 24 11.532 4.717 9.253 180 3HE MET 24 3HE MET 24 10.910 3.517 10.386 181 H GLY 25 H GLY 25 12.362 5.470 6.700 182 1HA GLY 25 1HA GLY 25 12.673 5.279 3.799 183 2HA GLY 25 2HA GLY 25 13.726 6.269 4.797 184 H VAL 26 H VAL 26 12.621 2.989 4.279 185 HA VAL 26 HA VAL 26 15.124 2.044 5.389 186 HB VAL 26 HB VAL 26 13.155 1.047 6.468 187 1HG1 VAL 26 1HG1 VAL 26 11.569 -0.363 5.286 188 2HG1 VAL 26 2HG1 VAL 26 12.284 0.154 3.755 189 3HG1 VAL 26 3HG1 VAL 26 11.501 1.333 4.808 190 1HG2 VAL 26 1HG2 VAL 26 14.498 -0.969 4.663 191 2HG2 VAL 26 2HG2 VAL 26 13.607 -1.347 6.135 192 3HG2 VAL 26 3HG2 VAL 26 15.101 -0.410 6.223 193 H GLY 27 H GLY 27 16.528 2.198 3.850 194 1HA GLY 27 1HA GLY 27 16.032 0.713 1.410 195 2HA GLY 27 2HA GLY 27 16.300 2.440 1.209 196 H ALA 28 H ALA 28 18.330 3.280 2.158 197 HA ALA 28 HA ALA 28 20.552 1.852 1.127 198 1HB ALA 28 1HB ALA 28 20.508 4.294 1.240 199 2HB ALA 28 2HB ALA 28 21.902 3.665 2.124 200 3HB ALA 28 3HB ALA 28 20.477 4.222 3.000 201 H ASP 29 H ASP 29 19.162 2.240 4.251 202 HA ASP 29 HA ASP 29 21.186 1.017 5.803 203 1HB ASP 29 1HB ASP 29 19.314 0.910 7.502 204 2HB ASP 29 2HB ASP 29 19.718 2.516 6.902 205 H ALA 30 H ALA 30 18.716 -0.183 3.805 206 HA ALA 30 HA ALA 30 18.803 -2.832 5.046 207 1HB ALA 30 1HB ALA 30 16.598 -1.975 4.392 208 2HB ALA 30 2HB ALA 30 17.015 -3.414 3.459 209 3HB ALA 30 3HB ALA 30 17.149 -1.816 2.725 210 H GLY 31 H GLY 31 19.734 -1.062 2.190 211 1HA GLY 31 1HA GLY 31 21.765 -1.631 1.051 212 2HA GLY 31 2HA GLY 31 21.430 -3.325 1.390 213 H LEU 32 H LEU 32 18.638 -3.074 0.711 214 HA LEU 32 HA LEU 32 18.882 -3.638 -2.099 215 1HB LEU 32 1HB LEU 32 16.445 -3.606 -0.309 216 2HB LEU 32 2HB LEU 32 16.423 -4.081 -1.986 217 HG LEU 32 HG LEU 32 17.971 -5.983 -1.366 218 1HD1 LEU 32 1HD1 LEU 32 18.054 -6.683 0.963 219 2HD1 LEU 32 2HD1 LEU 32 17.237 -5.197 1.449 220 3HD1 LEU 32 3HD1 LEU 32 18.847 -5.125 0.733 221 1HD2 LEU 32 1HD2 LEU 32 15.267 -5.887 -0.056 222 2HD2 LEU 32 2HD2 LEU 32 16.177 -7.349 -0.433 223 3HD2 LEU 32 3HD2 LEU 32 15.599 -6.312 -1.735 224 H GLU 33 H GLU 33 17.583 -1.116 -0.120 225 HA GLU 33 HA GLU 33 16.652 0.871 -0.451 226 1HB GLU 33 1HB GLU 33 17.974 0.710 -3.134 227 2HB GLU 33 2HB GLU 33 17.131 2.130 -2.545 228 1HG GLU 33 1HG GLU 33 18.699 2.201 -0.639 229 2HG GLU 33 2HG GLU 33 19.585 0.864 -1.377 230 H LYS 34 H LYS 34 14.528 0.500 -0.272 231 HA LYS 34 HA LYS 34 13.158 0.895 -2.737 232 1HB LYS 34 1HB LYS 34 11.576 -0.860 -2.544 233 2HB LYS 34 2HB LYS 34 13.097 -1.650 -2.200 234 1HG LYS 34 1HG LYS 34 11.137 -0.701 -0.131 235 2HG LYS 34 2HG LYS 34 11.248 -2.341 -0.751 236 1HD LYS 34 1HD LYS 34 13.313 -2.704 0.261 237 2HD LYS 34 2HD LYS 34 13.592 -0.974 0.503 238 1HE LYS 34 1HE LYS 34 12.958 -2.008 2.597 239 2HE LYS 34 2HE LYS 34 11.769 -0.853 1.952 240 1HZ LYS 34 1HZ LYS 34 10.293 -2.573 1.349 241 2HZ LYS 34 2HZ LYS 34 10.827 -3.018 2.889 242 3HZ LYS 34 3HZ LYS 34 11.475 -3.761 1.536 243 H LEU 35 H LEU 35 10.735 1.229 -2.026 244 HA LEU 35 HA LEU 35 10.608 3.529 -0.515 245 1HB LEU 35 1HB LEU 35 8.239 3.253 -0.486 246 2HB LEU 35 2HB LEU 35 8.861 2.765 -2.050 247 HG LEU 35 HG LEU 35 8.363 0.692 0.035 248 1HD1 LEU 35 1HD1 LEU 35 6.266 1.924 -1.746 249 2HD1 LEU 35 2HD1 LEU 35 6.348 1.966 0.025 250 3HD1 LEU 35 3HD1 LEU 35 6.067 0.448 -0.795 251 1HD2 LEU 35 1HD2 LEU 35 7.802 -0.684 -1.941 252 2HD2 LEU 35 2HD2 LEU 35 9.443 -0.066 -1.962 253 3HD2 LEU 35 3HD2 LEU 35 8.205 0.684 -2.984 254 H GLY 36 H GLY 36 9.900 3.941 1.564 255 1HA GLY 36 1HA GLY 36 9.931 1.649 3.375 256 2HA GLY 36 2HA GLY 36 10.433 3.288 3.814 257 H ILE 37 H ILE 37 7.740 3.010 1.742 258 HA ILE 37 HA ILE 37 6.062 4.118 3.785 259 HB ILE 37 HB ILE 37 5.172 3.105 1.070 260 1HG1 ILE 37 1HG1 ILE 37 6.974 4.831 0.957 261 2HG1 ILE 37 2HG1 ILE 37 5.462 5.355 0.186 262 1HG2 ILE 37 1HG2 ILE 37 3.902 5.026 3.014 263 2HG2 ILE 37 2HG2 ILE 37 3.382 3.384 2.679 264 3HG2 ILE 37 3HG2 ILE 37 3.264 4.616 1.419 265 1HD1 ILE 37 1HD1 ILE 37 6.712 6.177 2.781 266 2HD1 ILE 37 2HD1 ILE 37 5.042 6.575 2.370 267 3HD1 ILE 37 3HD1 ILE 37 6.362 7.187 1.374 268 H PHE 38 H PHE 38 5.189 2.939 5.212 269 HA PHE 38 HA PHE 38 4.384 0.202 4.522 270 1HB PHE 38 1HB PHE 38 5.235 1.399 7.143 271 2HB PHE 38 2HB PHE 38 4.514 -0.199 7.013 272 HD1 PHE 38 HD1 PHE 38 7.555 1.725 6.748 273 HD2 PHE 38 HD2 PHE 38 5.716 -1.969 5.713 274 HE1 PHE 38 HE1 PHE 38 9.747 0.749 6.389 275 HE2 PHE 38 HE2 PHE 38 7.930 -2.966 5.340 276 HZ PHE 38 HZ PHE 38 9.953 -1.616 5.681 277 H VAL 39 H VAL 39 2.450 -0.501 5.760 278 HA VAL 39 HA VAL 39 0.496 1.573 5.601 279 HB VAL 39 HB VAL 39 0.178 -1.252 6.679 280 1HG1 VAL 39 1HG1 VAL 39 -2.196 -0.945 6.091 281 2HG1 VAL 39 2HG1 VAL 39 -1.849 0.714 5.611 282 3HG1 VAL 39 3HG1 VAL 39 -1.654 0.225 7.294 283 1HG2 VAL 39 1HG2 VAL 39 -0.237 -0.244 3.862 284 2HG2 VAL 39 2HG2 VAL 39 -0.593 -1.876 4.435 285 3HG2 VAL 39 3HG2 VAL 39 1.067 -1.295 4.395 286 H LYS 40 H LYS 40 -0.294 2.701 7.273 287 HA LYS 40 HA LYS 40 1.084 2.326 9.803 288 1HB LYS 40 1HB LYS 40 1.207 4.577 8.906 289 2HB LYS 40 2HB LYS 40 -0.528 4.639 8.741 290 1HG LYS 40 1HG LYS 40 -0.001 6.003 10.603 291 2HG LYS 40 2HG LYS 40 -0.697 4.536 11.241 292 1HD LYS 40 1HD LYS 40 2.275 5.125 11.146 293 2HD LYS 40 2HD LYS 40 1.256 5.409 12.545 294 1HE LYS 40 1HE LYS 40 0.688 2.886 12.343 295 2HE LYS 40 2HE LYS 40 2.102 2.829 11.297 296 1HZ LYS 40 1HZ LYS 40 2.754 2.269 13.503 297 2HZ LYS 40 2HZ LYS 40 2.058 3.645 14.127 298 3HZ LYS 40 3HZ LYS 40 3.427 3.781 13.169 299 H THR 41 H THR 41 -2.141 2.627 8.442 300 HA THR 41 HA THR 41 -3.245 1.096 10.617 301 HB THR 41 HB THR 41 -4.601 3.595 9.923 302 HG1 THR 41 HG1 THR 41 -2.360 3.283 11.642 303 1HG2 THR 41 1HG2 THR 41 -5.786 2.012 11.284 304 2HG2 THR 41 2HG2 THR 41 -5.448 3.449 12.259 305 3HG2 THR 41 3HG2 THR 41 -4.476 1.990 12.472 306 H VAL 42 H VAL 42 -5.420 0.545 10.018 307 HA VAL 42 HA VAL 42 -6.139 1.063 7.261 308 HB VAL 42 HB VAL 42 -6.433 -1.602 8.735 309 1HG1 VAL 42 1HG1 VAL 42 -7.315 -2.469 6.621 310 2HG1 VAL 42 2HG1 VAL 42 -7.136 -0.855 5.920 311 3HG1 VAL 42 3HG1 VAL 42 -8.281 -1.116 7.233 312 1HG2 VAL 42 1HG2 VAL 42 -4.129 -1.245 8.006 313 2HG2 VAL 42 2HG2 VAL 42 -4.692 -0.920 6.367 314 3HG2 VAL 42 3HG2 VAL 42 -4.898 -2.525 7.068 315 H THR 43 H THR 43 -8.450 1.285 7.090 316 HA THR 43 HA THR 43 -9.845 2.325 9.233 317 HB THR 43 HB THR 43 -10.492 2.524 6.786 318 HG1 THR 43 HG1 THR 43 -12.070 3.146 8.175 319 1HG2 THR 43 1HG2 THR 43 -10.207 0.189 6.196 320 2HG2 THR 43 2HG2 THR 43 -11.869 0.707 5.835 321 3HG2 THR 43 3HG2 THR 43 -11.512 -0.228 7.300 322 H GLU 44 H GLU 44 -11.297 1.394 10.711 323 HA GLU 44 HA GLU 44 -10.451 -1.123 11.626 324 1HB GLU 44 1HB GLU 44 -11.850 -0.710 13.488 325 2HB GLU 44 2HB GLU 44 -11.047 0.789 13.068 326 1HG GLU 44 1HG GLU 44 -13.028 1.535 11.921 327 2HG GLU 44 2HG GLU 44 -13.812 0.011 12.330 328 H GLY 45 H GLY 45 -13.333 0.010 9.933 329 1HA GLY 45 1HA GLY 45 -13.933 -2.689 9.331 330 2HA GLY 45 2HA GLY 45 -15.178 -1.891 10.335 331 H GLY 46 H GLY 46 -13.351 -1.985 7.469 332 1HA GLY 46 1HA GLY 46 -15.609 -1.118 5.986 333 2HA GLY 46 2HA GLY 46 -14.003 -0.414 5.674 334 H ALA 47 H ALA 47 -14.886 -1.803 3.735 335 HA ALA 47 HA ALA 47 -14.614 -4.559 3.889 336 1HB ALA 47 1HB ALA 47 -14.351 -2.884 1.432 337 2HB ALA 47 2HB ALA 47 -15.839 -3.529 2.110 338 3HB ALA 47 3HB ALA 47 -14.617 -4.623 1.452 339 H ALA 48 H ALA 48 -12.085 -2.595 4.329 340 HA ALA 48 HA ALA 48 -10.026 -3.937 2.773 341 1HB ALA 48 1HB ALA 48 -8.453 -2.508 3.990 342 2HB ALA 48 2HB ALA 48 -9.758 -1.950 5.037 343 3HB ALA 48 3HB ALA 48 -9.773 -1.551 3.318 344 H GLN 49 H GLN 49 -10.642 -3.567 6.316 345 HA GLN 49 HA GLN 49 -9.104 -5.888 6.761 346 1HB GLN 49 1HB GLN 49 -10.780 -4.207 8.612 347 2HB GLN 49 2HB GLN 49 -9.998 -5.683 9.176 348 1HG GLN 49 1HG GLN 49 -7.852 -4.696 8.253 349 2HG GLN 49 2HG GLN 49 -8.771 -3.198 8.084 350 1HE2 GLN 49 1HE2 GLN 49 -9.353 -2.097 9.897 351 2HE2 GLN 49 2HE2 GLN 49 -8.724 -2.441 11.457 352 H ARG 50 H ARG 50 -12.263 -5.464 5.790 353 HA ARG 50 HA ARG 50 -13.303 -7.918 6.791 354 1HB ARG 50 1HB ARG 50 -14.115 -6.230 4.449 355 2HB ARG 50 2HB ARG 50 -14.956 -7.689 4.912 356 1HG ARG 50 1HG ARG 50 -14.569 -5.389 6.773 357 2HG ARG 50 2HG ARG 50 -16.024 -5.588 5.773 358 1HD ARG 50 1HD ARG 50 -14.961 -7.472 7.874 359 2HD ARG 50 2HD ARG 50 -16.401 -6.464 8.016 360 HE ARG 50 HE ARG 50 -17.186 -7.805 6.009 361 1HH1 ARG 50 1HH1 ARG 50 -15.168 -9.177 8.603 362 2HH1 ARG 50 2HH1 ARG 50 -15.767 -10.760 8.392 363 1HH2 ARG 50 1HH2 ARG 50 -17.979 -9.996 5.742 364 2HH2 ARG 50 2HH2 ARG 50 -17.391 -11.238 6.720 365 H ASP 51 H ASP 51 -11.718 -6.840 3.816 366 HA ASP 51 HA ASP 51 -11.737 -9.285 2.442 367 1HB ASP 51 1HB ASP 51 -11.124 -7.126 1.393 368 2HB ASP 51 2HB ASP 51 -9.644 -7.090 2.342 369 H GLY 52 H GLY 52 -9.090 -7.807 4.267 370 1HA GLY 52 1HA GLY 52 -7.799 -8.797 5.935 371 2HA GLY 52 2HA GLY 52 -8.611 -10.312 5.616 372 H ARG 53 H ARG 53 -7.567 -9.498 2.596 373 HA ARG 53 HA ARG 53 -5.261 -11.220 2.849 374 1HB ARG 53 1HB ARG 53 -6.968 -10.882 0.839 375 2HB ARG 53 2HB ARG 53 -5.890 -9.574 0.405 376 1HG ARG 53 1HG ARG 53 -5.119 -12.485 0.631 377 2HG ARG 53 2HG ARG 53 -5.463 -11.627 -0.862 378 1HD ARG 53 1HD ARG 53 -3.551 -10.158 -0.435 379 2HD ARG 53 2HD ARG 53 -3.214 -11.046 1.051 380 HE ARG 53 HE ARG 53 -3.312 -12.487 -1.473 381 1HH1 ARG 53 1HH1 ARG 53 -1.355 -11.280 1.233 382 2HH1 ARG 53 2HH1 ARG 53 0.016 -12.205 0.844 383 1HH2 ARG 53 1HH2 ARG 53 -1.414 -13.803 -1.964 384 2HH2 ARG 53 2HH2 ARG 53 -0.011 -13.663 -1.018 385 H ILE 54 H ILE 54 -6.015 -7.880 2.611 386 HA ILE 54 HA ILE 54 -3.237 -7.034 2.531 387 HB ILE 54 HB ILE 54 -5.106 -5.775 1.309 388 1HG1 ILE 54 1HG1 ILE 54 -3.659 -4.105 3.379 389 2HG1 ILE 54 2HG1 ILE 54 -2.875 -4.770 1.954 390 1HG2 ILE 54 1HG2 ILE 54 -5.856 -5.030 4.142 391 2HG2 ILE 54 2HG2 ILE 54 -6.856 -5.932 3.011 392 3HG2 ILE 54 3HG2 ILE 54 -6.497 -4.228 2.706 393 1HD1 ILE 54 1HD1 ILE 54 -5.206 -2.874 1.906 394 2HD1 ILE 54 2HD1 ILE 54 -4.279 -3.486 0.517 395 3HD1 ILE 54 3HD1 ILE 54 -3.504 -2.430 1.681 396 H GLN 55 H GLN 55 -2.334 -5.783 4.379 397 HA GLN 55 HA GLN 55 -3.863 -6.196 6.767 398 1HB GLN 55 1HB GLN 55 -0.955 -6.919 6.448 399 2HB GLN 55 2HB GLN 55 -1.806 -6.876 7.985 400 1HG GLN 55 1HG GLN 55 -3.328 -8.616 7.165 401 2HG GLN 55 2HG GLN 55 -2.423 -8.683 5.657 402 1HE2 GLN 55 1HE2 GLN 55 -2.886 -10.753 7.562 403 2HE2 GLN 55 2HE2 GLN 55 -1.344 -11.280 8.123 404 H VAL 56 H VAL 56 -2.380 -5.115 8.613 405 HA VAL 56 HA VAL 56 -2.020 -2.358 7.713 406 HB VAL 56 HB VAL 56 -3.538 -2.854 9.633 407 1HG1 VAL 56 1HG1 VAL 56 -2.390 -4.730 10.617 408 2HG1 VAL 56 2HG1 VAL 56 -2.611 -3.459 11.818 409 3HG1 VAL 56 3HG1 VAL 56 -1.032 -3.697 11.065 410 1HG2 VAL 56 1HG2 VAL 56 -2.652 -1.104 11.167 411 2HG2 VAL 56 2HG2 VAL 56 -2.595 -0.633 9.474 412 3HG2 VAL 56 3HG2 VAL 56 -1.126 -1.160 10.288 413 H ASN 57 H ASN 57 -0.172 -5.039 8.090 414 HA ASN 57 HA ASN 57 2.080 -3.438 9.079 415 1HB ASN 57 1HB ASN 57 1.214 -5.340 10.569 416 2HB ASN 57 2HB ASN 57 1.908 -6.433 9.381 417 1HD2 ASN 57 1HD2 ASN 57 3.243 -3.322 10.407 418 2HD2 ASN 57 2HD2 ASN 57 4.658 -3.981 11.111 419 H ASP 58 H ASP 58 0.971 -4.159 6.297 420 HA ASP 58 HA ASP 58 3.411 -5.335 5.296 421 1HB ASP 58 1HB ASP 58 2.183 -5.757 3.184 422 2HB ASP 58 2HB ASP 58 1.370 -6.507 4.542 423 H GLN 59 H GLN 59 3.263 -4.296 2.711 424 HA GLN 59 HA GLN 59 3.784 -1.482 3.178 425 1HB GLN 59 1HB GLN 59 5.951 -2.454 3.371 426 2HB GLN 59 2HB GLN 59 5.617 -3.532 2.016 427 1HG GLN 59 1HG GLN 59 6.035 -1.915 0.439 428 2HG GLN 59 2HG GLN 59 5.646 -0.598 1.538 429 1HE2 GLN 59 1HE2 GLN 59 7.148 0.168 2.838 430 2HE2 GLN 59 2HE2 GLN 59 8.855 -0.150 2.683 431 H ILE 60 H ILE 60 2.589 -0.395 1.794 432 HA ILE 60 HA ILE 60 1.346 -1.517 -0.504 433 HB ILE 60 HB ILE 60 1.821 1.422 0.027 434 1HG1 ILE 60 1HG1 ILE 60 0.624 0.544 1.974 435 2HG1 ILE 60 2HG1 ILE 60 -0.453 1.487 0.941 436 1HG2 ILE 60 1HG2 ILE 60 -0.257 0.006 -1.599 437 2HG2 ILE 60 2HG2 ILE 60 1.175 0.783 -2.236 438 3HG2 ILE 60 3HG2 ILE 60 -0.083 1.758 -1.458 439 1HD1 ILE 60 1HD1 ILE 60 -0.335 -1.513 1.039 440 2HD1 ILE 60 2HD1 ILE 60 -1.429 -0.537 0.053 441 3HD1 ILE 60 3HD1 ILE 60 -1.554 -0.501 1.813 442 H VAL 61 H VAL 61 2.652 -2.143 -2.156 443 HA VAL 61 HA VAL 61 5.077 -0.651 -2.717 444 HB VAL 61 HB VAL 61 3.948 -3.192 -3.917 445 1HG1 VAL 61 1HG1 VAL 61 6.066 -3.578 -4.944 446 2HG1 VAL 61 2HG1 VAL 61 6.669 -2.000 -4.396 447 3HG1 VAL 61 3HG1 VAL 61 5.334 -2.101 -5.561 448 1HG2 VAL 61 1HG2 VAL 61 6.198 -2.763 -1.963 449 2HG2 VAL 61 2HG2 VAL 61 5.729 -4.310 -2.678 450 3HG2 VAL 61 3HG2 VAL 61 4.608 -3.457 -1.626 451 H GLU 62 H GLU 62 2.165 -1.611 -4.473 452 HA GLU 62 HA GLU 62 2.285 0.840 -6.068 453 1HB GLU 62 1HB GLU 62 3.473 -0.788 -7.428 454 2HB GLU 62 2HB GLU 62 2.178 -1.950 -7.226 455 1HG GLU 62 1HG GLU 62 0.661 -0.457 -8.427 456 2HG GLU 62 2HG GLU 62 1.949 0.698 -8.639 457 H VAL 63 H VAL 63 0.270 1.643 -6.240 458 HA VAL 63 HA VAL 63 -1.930 -0.220 -5.887 459 HB VAL 63 HB VAL 63 -1.462 2.395 -4.439 460 1HG1 VAL 63 1HG1 VAL 63 -3.855 2.657 -4.038 461 2HG1 VAL 63 2HG1 VAL 63 -4.204 1.331 -5.162 462 3HG1 VAL 63 3HG1 VAL 63 -3.473 2.829 -5.753 463 1HG2 VAL 63 1HG2 VAL 63 -2.858 -0.164 -3.772 464 2HG2 VAL 63 2HG2 VAL 63 -2.444 1.148 -2.661 465 3HG2 VAL 63 3HG2 VAL 63 -1.174 0.197 -3.440 466 H ASP 64 H ASP 64 -3.258 -0.272 -7.417 467 HA ASP 64 HA ASP 64 -4.638 0.257 -9.100 468 1HB ASP 64 1HB ASP 64 -5.236 2.168 -7.566 469 2HB ASP 64 2HB ASP 64 -4.093 3.169 -8.447 470 H GLY 65 H GLY 65 -1.685 0.180 -9.342 471 1HA GLY 65 1HA GLY 65 -0.149 0.164 -10.996 472 2HA GLY 65 2HA GLY 65 -1.427 0.607 -12.133 473 H ILE 66 H ILE 66 -0.785 2.578 -9.348 474 HA ILE 66 HA ILE 66 0.041 4.742 -11.058 475 HB ILE 66 HB ILE 66 -1.467 4.804 -8.836 476 1HG1 ILE 66 1HG1 ILE 66 0.647 6.910 -9.334 477 2HG1 ILE 66 2HG1 ILE 66 -0.816 6.726 -10.305 478 1HG2 ILE 66 1HG2 ILE 66 0.182 3.819 -7.362 479 2HG2 ILE 66 2HG2 ILE 66 -0.174 5.482 -6.868 480 3HG2 ILE 66 3HG2 ILE 66 1.317 5.117 -7.737 481 1HD1 ILE 66 1HD1 ILE 66 -1.058 8.498 -8.667 482 2HD1 ILE 66 2HD1 ILE 66 -0.688 7.335 -7.386 483 3HD1 ILE 66 3HD1 ILE 66 -2.163 7.153 -8.335 484 H SER 67 H SER 67 1.506 2.252 -9.448 485 HA SER 67 HA SER 67 3.516 1.740 -8.524 486 1HB SER 67 1HB SER 67 5.479 2.277 -10.053 487 2HB SER 67 2HB SER 67 4.132 1.419 -10.794 488 HG SER 67 HG SER 67 3.778 4.074 -10.950 489 H LEU 68 H LEU 68 3.405 2.689 -6.601 490 HA LEU 68 HA LEU 68 4.609 5.323 -6.370 491 1HB LEU 68 1HB LEU 68 3.626 5.364 -4.140 492 2HB LEU 68 2HB LEU 68 2.422 5.015 -5.359 493 HG LEU 68 HG LEU 68 3.247 2.524 -4.518 494 1HD1 LEU 68 1HD1 LEU 68 4.455 3.484 -2.671 495 2HD1 LEU 68 2HD1 LEU 68 3.065 2.563 -2.094 496 3HD1 LEU 68 3HD1 LEU 68 3.008 4.330 -2.125 497 1HD2 LEU 68 1HD2 LEU 68 1.048 3.195 -5.111 498 2HD2 LEU 68 2HD2 LEU 68 0.898 4.183 -3.647 499 3HD2 LEU 68 3HD2 LEU 68 1.030 2.417 -3.530 500 H VAL 69 H VAL 69 5.677 2.555 -6.683 501 HA VAL 69 HA VAL 69 7.326 1.711 -4.630 502 HB VAL 69 HB VAL 69 8.107 1.686 -7.552 503 1HG1 VAL 69 1HG1 VAL 69 9.884 0.970 -6.141 504 2HG1 VAL 69 2HG1 VAL 69 9.230 -0.428 -6.997 505 3HG1 VAL 69 3HG1 VAL 69 8.826 -0.161 -5.300 506 1HG2 VAL 69 1HG2 VAL 69 6.953 -0.487 -7.738 507 2HG2 VAL 69 2HG2 VAL 69 5.843 0.843 -7.414 508 3HG2 VAL 69 3HG2 VAL 69 6.304 -0.255 -6.114 509 H GLY 70 H GLY 70 8.218 3.469 -3.568 510 1HA GLY 70 1HA GLY 70 10.456 4.326 -3.179 511 2HA GLY 70 2HA GLY 70 10.571 4.638 -4.904 512 H VAL 71 H VAL 71 7.563 5.491 -3.533 513 HA VAL 71 HA VAL 71 8.259 8.274 -3.922 514 HB VAL 71 HB VAL 71 5.917 8.810 -3.726 515 1HG1 VAL 71 1HG1 VAL 71 5.035 7.537 -5.600 516 2HG1 VAL 71 2HG1 VAL 71 6.349 6.375 -5.418 517 3HG1 VAL 71 3HG1 VAL 71 6.705 8.044 -5.862 518 1HG2 VAL 71 1HG2 VAL 71 5.473 5.903 -3.021 519 2HG2 VAL 71 2HG2 VAL 71 4.213 7.128 -3.252 520 3HG2 VAL 71 3HG2 VAL 71 5.346 7.269 -1.915 521 H THR 72 H THR 72 7.057 9.826 -2.332 522 HA THR 72 HA THR 72 8.067 9.203 0.322 523 HB THR 72 HB THR 72 7.445 11.570 0.785 524 HG1 THR 72 HG1 THR 72 7.310 12.207 -1.915 525 1HG2 THR 72 1HG2 THR 72 9.347 11.104 -1.513 526 2HG2 THR 72 2HG2 THR 72 9.696 10.975 0.220 527 3HG2 THR 72 3HG2 THR 72 9.307 12.547 -0.484 528 H GLN 73 H GLN 73 6.674 10.220 2.065 529 HA GLN 73 HA GLN 73 4.285 8.704 2.122 530 1HB GLN 73 1HB GLN 73 4.021 9.333 4.382 531 2HB GLN 73 2HB GLN 73 5.728 9.564 4.099 532 1HG GLN 73 1HG GLN 73 3.731 11.745 3.941 533 2HG GLN 73 2HG GLN 73 4.584 11.339 5.423 534 1HE2 GLN 73 1HE2 GLN 73 7.091 10.676 4.035 535 2HE2 GLN 73 2HE2 GLN 73 7.751 12.178 3.570 536 H ASN 74 H ASN 74 4.995 11.864 1.041 537 HA ASN 74 HA ASN 74 2.460 13.081 1.246 538 1HB ASN 74 1HB ASN 74 4.382 13.531 -1.050 539 2HB ASN 74 2HB ASN 74 3.150 14.631 -0.473 540 1HD2 ASN 74 1HD2 ASN 74 6.319 13.460 -0.143 541 2HD2 ASN 74 2HD2 ASN 74 6.829 14.596 1.063 542 H PHE 75 H PHE 75 4.089 11.332 -1.296 543 HA PHE 75 HA PHE 75 2.007 11.535 -3.127 544 1HB PHE 75 1HB PHE 75 4.420 11.138 -3.673 545 2HB PHE 75 2HB PHE 75 4.203 9.501 -3.080 546 HD1 PHE 75 HD1 PHE 75 2.779 7.899 -4.317 547 HD2 PHE 75 HD2 PHE 75 3.564 11.800 -5.817 548 HE1 PHE 75 HE1 PHE 75 2.038 7.182 -6.490 549 HE2 PHE 75 HE2 PHE 75 2.796 11.092 -8.040 550 HZ PHE 75 HZ PHE 75 2.030 8.776 -8.395 551 H ALA 76 H ALA 76 3.177 8.894 -1.038 552 HA ALA 76 HA ALA 76 1.347 6.986 -1.898 553 1HB ALA 76 1HB ALA 76 3.384 6.456 -0.693 554 2HB ALA 76 2HB ALA 76 1.968 5.707 0.048 555 3HB ALA 76 3HB ALA 76 2.701 7.140 0.784 556 H ALA 77 H ALA 77 1.094 9.265 0.866 557 HA ALA 77 HA ALA 77 -1.366 8.232 1.827 558 1HB ALA 77 1HB ALA 77 -0.255 11.021 2.146 559 2HB ALA 77 2HB ALA 77 0.090 9.653 3.204 560 3HB ALA 77 3HB ALA 77 -1.547 10.306 3.109 561 H THR 78 H THR 78 -0.608 10.093 -0.857 562 HA THR 78 HA THR 78 -3.234 11.213 -1.149 563 HB THR 78 HB THR 78 -0.764 11.237 -2.896 564 HG1 THR 78 HG1 THR 78 -0.465 12.530 -1.258 565 1HG2 THR 78 1HG2 THR 78 -3.403 12.658 -3.347 566 2HG2 THR 78 2HG2 THR 78 -2.778 11.293 -4.275 567 3HG2 THR 78 3HG2 THR 78 -1.939 12.846 -4.331 568 H VAL 79 H VAL 79 -1.275 8.638 -2.590 569 HA VAL 79 HA VAL 79 -3.143 7.789 -4.514 570 HB VAL 79 HB VAL 79 -1.141 5.982 -3.112 571 1HG1 VAL 79 1HG1 VAL 79 -2.827 4.794 -4.410 572 2HG1 VAL 79 2HG1 VAL 79 -1.243 4.654 -5.147 573 3HG1 VAL 79 3HG1 VAL 79 -2.434 5.759 -5.827 574 1HG2 VAL 79 1HG2 VAL 79 -0.818 7.765 -5.502 575 2HG2 VAL 79 2HG2 VAL 79 0.333 6.518 -5.007 576 3HG2 VAL 79 3HG2 VAL 79 0.019 7.901 -3.956 577 H LEU 80 H LEU 80 -2.474 6.494 -1.272 578 HA LEU 80 HA LEU 80 -4.629 4.649 -1.308 579 1HB LEU 80 1HB LEU 80 -2.964 5.710 0.973 580 2HB LEU 80 2HB LEU 80 -4.230 4.532 1.210 581 HG LEU 80 HG LEU 80 -2.177 3.356 1.212 582 1HD1 LEU 80 1HD1 LEU 80 -3.376 2.937 -1.498 583 2HD1 LEU 80 2HD1 LEU 80 -3.981 2.278 0.014 584 3HD1 LEU 80 3HD1 LEU 80 -2.392 1.792 -0.583 585 1HD2 LEU 80 1HD2 LEU 80 -0.503 3.434 -0.532 586 2HD2 LEU 80 2HD2 LEU 80 -0.787 5.063 0.084 587 3HD2 LEU 80 3HD2 LEU 80 -1.486 4.567 -1.456 588 H ARG 81 H ARG 81 -4.758 7.855 -1.146 589 HA ARG 81 HA ARG 81 -7.220 8.113 0.450 590 1HB ARG 81 1HB ARG 81 -5.475 9.789 0.622 591 2HB ARG 81 2HB ARG 81 -5.542 10.038 -1.111 592 1HG ARG 81 1HG ARG 81 -7.941 10.735 -0.778 593 2HG ARG 81 2HG ARG 81 -7.575 10.775 0.955 594 1HD ARG 81 1HD ARG 81 -6.124 12.183 -1.212 595 2HD ARG 81 2HD ARG 81 -7.241 12.965 -0.074 596 HE ARG 81 HE ARG 81 -5.472 11.776 1.553 597 1HH1 ARG 81 1HH1 ARG 81 -4.990 14.098 -1.103 598 2HH1 ARG 81 2HH1 ARG 81 -3.489 14.639 -0.540 599 1HH2 ARG 81 1HH2 ARG 81 -3.419 12.515 2.318 600 2HH2 ARG 81 2HH2 ARG 81 -2.564 13.712 1.471 601 H ASN 82 H ASN 82 -5.922 8.405 -2.780 602 HA ASN 82 HA ASN 82 -8.379 9.269 -3.988 603 1HB ASN 82 1HB ASN 82 -5.558 8.985 -4.858 604 2HB ASN 82 2HB ASN 82 -6.835 8.999 -6.071 605 1HD2 ASN 82 1HD2 ASN 82 -5.393 10.807 -3.474 606 2HD2 ASN 82 2HD2 ASN 82 -6.046 12.338 -3.966 607 H THR 83 H THR 83 -7.517 6.424 -3.007 608 HA THR 83 HA THR 83 -7.802 4.662 -5.146 609 HB THR 83 HB THR 83 -8.505 3.122 -3.172 610 HG1 THR 83 HG1 THR 83 -8.878 5.190 -1.900 611 1HG2 THR 83 1HG2 THR 83 -6.125 2.946 -2.539 612 2HG2 THR 83 2HG2 THR 83 -5.818 4.505 -3.296 613 3HG2 THR 83 3HG2 THR 83 -6.310 3.128 -4.281 614 H LYS 84 H LYS 84 -9.678 2.904 -4.879 615 HA LYS 84 HA LYS 84 -12.255 4.240 -4.827 616 1HB LYS 84 1HB LYS 84 -12.748 3.273 -7.021 617 2HB LYS 84 2HB LYS 84 -11.483 4.478 -7.031 618 1HG LYS 84 1HG LYS 84 -9.796 2.741 -7.141 619 2HG LYS 84 2HG LYS 84 -11.076 1.512 -7.160 620 1HD LYS 84 1HD LYS 84 -12.058 2.549 -8.996 621 2HD LYS 84 2HD LYS 84 -10.790 3.772 -9.043 622 1HE LYS 84 1HE LYS 84 -9.090 1.957 -9.391 623 2HE LYS 84 2HE LYS 84 -10.403 0.787 -9.493 624 1HZ LYS 84 1HZ LYS 84 -9.935 3.053 -11.338 625 2HZ LYS 84 2HZ LYS 84 -11.220 1.989 -11.465 626 3HZ LYS 84 3HZ LYS 84 -9.632 1.439 -11.683 627 H GLY 85 H GLY 85 -13.519 1.974 -6.057 628 1HA GLY 85 1HA GLY 85 -13.814 0.280 -3.788 629 2HA GLY 85 2HA GLY 85 -14.580 0.066 -5.356 630 H ASN 86 H ASN 86 -12.967 -0.628 -7.121 631 HA ASN 86 HA ASN 86 -11.631 -2.979 -6.060 632 1HB ASN 86 1HB ASN 86 -12.363 -2.215 -8.893 633 2HB ASN 86 2HB ASN 86 -11.289 -3.556 -8.531 634 1HD2 ASN 86 1HD2 ASN 86 -14.587 -2.413 -8.426 635 2HD2 ASN 86 2HD2 ASN 86 -15.276 -3.943 -8.029 636 H VAL 87 H VAL 87 -9.749 -2.674 -5.368 637 HA VAL 87 HA VAL 87 -7.933 -0.854 -6.827 638 HB VAL 87 HB VAL 87 -7.506 -1.682 -4.016 639 1HG1 VAL 87 1HG1 VAL 87 -5.716 -0.619 -5.095 640 2HG1 VAL 87 2HG1 VAL 87 -6.360 0.463 -3.852 641 3HG1 VAL 87 3HG1 VAL 87 -6.725 0.752 -5.564 642 1HG2 VAL 87 1HG2 VAL 87 -9.320 0.574 -4.845 643 2HG2 VAL 87 2HG2 VAL 87 -8.692 0.300 -3.208 644 3HG2 VAL 87 3HG2 VAL 87 -9.722 -0.917 -3.980 645 H ARG 88 H ARG 88 -6.140 -1.772 -7.578 646 HA ARG 88 HA ARG 88 -5.436 -4.430 -6.649 647 1HB ARG 88 1HB ARG 88 -4.657 -2.809 -9.054 648 2HB ARG 88 2HB ARG 88 -3.830 -4.301 -8.615 649 1HG ARG 88 1HG ARG 88 -5.736 -5.604 -8.953 650 2HG ARG 88 2HG ARG 88 -6.806 -4.209 -8.891 651 1HD ARG 88 1HD ARG 88 -6.625 -5.037 -11.116 652 2HD ARG 88 2HD ARG 88 -5.908 -3.433 -10.983 653 HE ARG 88 HE ARG 88 -3.933 -5.458 -10.732 654 1HH1 ARG 88 1HH1 ARG 88 -5.932 -3.827 -13.144 655 2HH1 ARG 88 2HH1 ARG 88 -4.894 -4.173 -14.448 656 1HH2 ARG 88 1HH2 ARG 88 -2.514 -5.922 -12.505 657 2HH2 ARG 88 2HH2 ARG 88 -2.880 -5.407 -14.086 658 H PHE 89 H PHE 89 -4.428 -4.269 -4.834 659 HA PHE 89 HA PHE 89 -2.295 -2.313 -4.448 660 1HB PHE 89 1HB PHE 89 -3.335 -4.494 -2.615 661 2HB PHE 89 2HB PHE 89 -2.116 -3.317 -2.203 662 HD1 PHE 89 HD1 PHE 89 -2.695 -1.166 -1.498 663 HD2 PHE 89 HD2 PHE 89 -5.671 -3.839 -2.866 664 HE1 PHE 89 HE1 PHE 89 -4.415 0.291 -0.547 665 HE2 PHE 89 HE2 PHE 89 -7.414 -2.357 -1.918 666 HZ PHE 89 HZ PHE 89 -6.785 -0.316 -0.765 667 H VAL 90 H VAL 90 -0.475 -2.972 -5.451 668 HA VAL 90 HA VAL 90 0.052 -5.824 -5.415 669 HB VAL 90 HB VAL 90 1.598 -3.668 -6.892 670 1HG1 VAL 90 1HG1 VAL 90 1.708 -6.674 -7.133 671 2HG1 VAL 90 2HG1 VAL 90 2.945 -5.636 -6.423 672 3HG1 VAL 90 3HG1 VAL 90 2.594 -5.533 -8.147 673 1HG2 VAL 90 1HG2 VAL 90 -0.682 -3.864 -7.720 674 2HG2 VAL 90 2HG2 VAL 90 -0.451 -5.599 -7.966 675 3HG2 VAL 90 3HG2 VAL 90 0.484 -4.435 -8.913 676 H ILE 91 H ILE 91 0.477 -5.905 -3.338 677 HA ILE 91 HA ILE 91 2.602 -4.373 -2.106 678 HB ILE 91 HB ILE 91 0.423 -6.233 -1.132 679 1HG1 ILE 91 1HG1 ILE 91 0.950 -3.339 -0.598 680 2HG1 ILE 91 2HG1 ILE 91 -0.187 -3.908 -1.806 681 1HG2 ILE 91 1HG2 ILE 91 1.093 -5.796 1.209 682 2HG2 ILE 91 2HG2 ILE 91 2.506 -4.928 0.635 683 3HG2 ILE 91 3HG2 ILE 91 2.355 -6.652 0.324 684 1HD1 ILE 91 1HD1 ILE 91 -1.276 -3.207 0.108 685 2HD1 ILE 91 2HD1 ILE 91 -0.298 -4.300 1.119 686 3HD1 ILE 91 3HD1 ILE 91 -1.450 -4.963 -0.088 687 H GLY 92 H GLY 92 4.224 -5.602 -0.897 688 1HA GLY 92 1HA GLY 92 4.534 -8.283 -1.942 689 2HA GLY 92 2HA GLY 92 5.868 -7.149 -2.085 690 H ARG 93 H ARG 93 5.741 -9.608 -0.626 691 HA ARG 93 HA ARG 93 6.255 -8.546 2.091 692 1HB ARG 93 1HB ARG 93 4.499 -10.567 1.454 693 2HB ARG 93 2HB ARG 93 5.964 -11.444 1.898 694 1HG ARG 93 1HG ARG 93 5.672 -9.457 3.843 695 2HG ARG 93 2HG ARG 93 4.054 -10.096 3.571 696 1HD ARG 93 1HD ARG 93 5.009 -11.365 5.272 697 2HD ARG 93 2HD ARG 93 5.047 -12.372 3.818 698 HE ARG 93 HE ARG 93 7.459 -10.861 4.343 699 1HH1 ARG 93 1HH1 ARG 93 5.786 -13.912 5.007 700 2HH1 ARG 93 2HH1 ARG 93 7.224 -14.783 5.300 701 1HH2 ARG 93 1HH2 ARG 93 9.428 -12.104 4.715 702 2HH2 ARG 93 2HH2 ARG 93 9.310 -13.738 5.157 703 H GLU 94 H GLU 94 8.190 -8.930 2.956 704 HA GLU 94 HA GLU 94 10.256 -9.610 1.135 705 1HB GLU 94 1HB GLU 94 11.522 -8.950 3.424 706 2HB GLU 94 2HB GLU 94 10.966 -7.805 2.212 707 1HG GLU 94 1HG GLU 94 10.435 -7.055 4.483 708 2HG GLU 94 2HG GLU 94 8.991 -7.295 3.520 Start of MODEL 3 1 1H GLY 1 1H GLY 1 17.359 -13.058 2.425 2 2H GLY 1 2H GLY 1 16.659 -14.294 1.508 3 3H GLY 1 3H GLY 1 15.670 -13.259 2.411 4 1HA GLY 1 1HA GLY 1 16.306 -11.416 1.024 5 2HA GLY 1 2HA GLY 1 17.355 -12.496 0.106 6 H HIS 2 H HIS 2 14.004 -11.830 1.006 7 HA HIS 2 HA HIS 2 13.167 -12.784 -1.553 8 1HB HIS 2 1HB HIS 2 13.236 -14.873 -0.217 9 2HB HIS 2 2HB HIS 2 12.182 -14.143 0.977 10 HD1 HIS 2 HD1 HIS 2 12.145 -15.922 -2.282 11 HD2 HIS 2 HD2 HIS 2 9.487 -13.846 0.139 12 HE1 HIS 2 HE1 HIS 2 9.840 -16.499 -3.113 13 H MET 3 H MET 3 11.385 -11.773 -2.199 14 HA MET 3 HA MET 3 9.391 -10.795 -0.443 15 1HB MET 3 1HB MET 3 10.953 -8.884 -0.313 16 2HB MET 3 2HB MET 3 10.957 -8.772 -2.071 17 1HG MET 3 1HG MET 3 8.575 -8.254 -2.071 18 2HG MET 3 2HG MET 3 8.510 -8.398 -0.326 19 1HE MET 3 1HE MET 3 9.829 -6.740 1.315 20 2HE MET 3 2HE MET 3 10.742 -5.333 0.773 21 3HE MET 3 3HE MET 3 11.350 -6.954 0.447 22 H GLU 4 H GLU 4 7.722 -11.492 -1.440 23 HA GLU 4 HA GLU 4 7.754 -11.706 -4.353 24 1HB GLU 4 1HB GLU 4 7.251 -13.701 -2.933 25 2HB GLU 4 2HB GLU 4 5.852 -12.783 -2.341 26 1HG GLU 4 1HG GLU 4 4.812 -12.814 -4.457 27 2HG GLU 4 2HG GLU 4 6.266 -13.401 -5.246 28 H LEU 5 H LEU 5 6.840 -10.054 -5.380 29 HA LEU 5 HA LEU 5 4.917 -8.346 -4.055 30 1HB LEU 5 1HB LEU 5 6.042 -8.193 -6.855 31 2HB LEU 5 2HB LEU 5 5.067 -6.973 -6.078 32 HG LEU 5 HG LEU 5 7.184 -6.104 -6.007 33 1HD1 LEU 5 11HD LEU 5 7.893 -5.969 -3.746 34 2HD1 LEU 5 12HD LEU 5 7.016 -7.444 -3.382 35 3HD1 LEU 5 13HD LEU 5 6.120 -5.986 -3.845 36 1HD2 LEU 5 21HD LEU 5 8.304 -8.769 -5.158 37 2HD2 LEU 5 22HD LEU 5 9.234 -7.283 -5.331 38 3HD2 LEU 5 23HD LEU 5 8.477 -8.017 -6.743 39 H PHE 6 H PHE 6 2.741 -8.506 -4.370 40 HA PHE 6 HA PHE 6 1.806 -9.928 -6.696 41 1HB PHE 6 1HB PHE 6 0.127 -11.051 -5.124 42 2HB PHE 6 2HB PHE 6 1.725 -11.781 -5.266 43 HD1 PHE 6 HD1 PHE 6 3.130 -11.780 -3.310 44 HD2 PHE 6 HD2 PHE 6 -0.649 -9.883 -3.257 45 HE1 PHE 6 HE1 PHE 6 3.268 -11.645 -0.886 46 HE2 PHE 6 HE2 PHE 6 -0.547 -9.727 -0.785 47 HZ PHE 6 HZ PHE 6 1.419 -10.610 0.404 48 HA PRO 7 HA PRO 7 -1.313 -6.777 -6.581 49 1HB PRO 7 1HB PRO 7 -2.909 -7.705 -8.434 50 2HB PRO 7 2HB PRO 7 -1.309 -7.088 -8.831 51 1HG PRO 7 1HG PRO 7 -2.210 -9.948 -8.556 52 2HG PRO 7 2HG PRO 7 -1.117 -9.252 -9.775 53 1HD PRO 7 1HD PRO 7 -0.350 -10.626 -7.496 54 2HD PRO 7 2HD PRO 7 0.671 -9.456 -8.373 55 H VAL 8 H VAL 8 -2.804 -6.558 -5.093 56 HA VAL 8 HA VAL 8 -4.768 -8.691 -4.756 57 HB VAL 8 HB VAL 8 -4.066 -6.528 -2.761 58 1HG1 VAL 8 11HG VAL 8 -5.744 -8.996 -2.412 59 2HG1 VAL 8 12HG VAL 8 -6.309 -7.323 -2.478 60 3HG1 VAL 8 13HG VAL 8 -5.297 -7.856 -1.139 61 1HG2 VAL 8 21HG VAL 8 -3.190 -9.400 -2.785 62 2HG2 VAL 8 22HG VAL 8 -2.910 -8.245 -1.467 63 3HG2 VAL 8 23HG VAL 8 -2.199 -7.967 -3.072 64 H GLU 9 H GLU 9 -6.370 -7.986 -6.178 65 HA GLU 9 HA GLU 9 -7.098 -5.201 -6.085 66 1HB GLU 9 1HB GLU 9 -7.163 -6.472 -8.241 67 2HB GLU 9 2HB GLU 9 -8.495 -7.421 -7.582 68 1HG GLU 9 1HG GLU 9 -9.804 -5.369 -7.306 69 2HG GLU 9 2HG GLU 9 -8.486 -4.446 -8.017 70 H LEU 10 H LEU 10 -8.224 -4.518 -4.505 71 HA LEU 10 HA LEU 10 -10.008 -6.336 -3.049 72 1HB LEU 10 1HB LEU 10 -8.081 -4.607 -2.208 73 2HB LEU 10 2HB LEU 10 -9.481 -3.559 -2.173 74 HG LEU 10 HG LEU 10 -9.162 -4.374 0.018 75 1HD1 LEU 10 11HD LEU 10 -11.361 -6.027 -1.164 76 2HD1 LEU 10 12HD LEU 10 -11.480 -4.341 -0.688 77 3HD1 LEU 10 13HD LEU 10 -11.176 -5.580 0.534 78 1HD2 LEU 10 21HD LEU 10 -9.023 -7.146 -1.137 79 2HD2 LEU 10 22HD LEU 10 -9.009 -6.749 0.580 80 3HD2 LEU 10 23HD LEU 10 -7.684 -6.221 -0.455 81 H GLU 11 H GLU 11 -12.223 -5.763 -2.949 82 HA GLU 11 HA GLU 11 -12.967 -3.385 -4.477 83 1HB GLU 11 1HB GLU 11 -13.893 -5.479 -5.418 84 2HB GLU 11 2HB GLU 11 -14.670 -5.824 -3.873 85 1HG GLU 11 1HG GLU 11 -15.936 -3.689 -4.141 86 2HG GLU 11 2HG GLU 11 -15.256 -3.554 -5.759 87 H LYS 12 H LYS 12 -12.734 -1.986 -2.864 88 HA LYS 12 HA LYS 12 -13.938 -2.449 -0.333 89 1HB LYS 12 1HB LYS 12 -12.392 -0.136 -1.395 90 2HB LYS 12 2HB LYS 12 -13.065 -0.071 0.202 91 1HG LYS 12 1HG LYS 12 -11.638 -2.478 0.158 92 2HG LYS 12 2HG LYS 12 -10.779 -1.349 -0.865 93 1HD LYS 12 1HD LYS 12 -9.882 -1.180 1.379 94 2HD LYS 12 2HD LYS 12 -10.676 0.286 0.823 95 1HE LYS 12 1HE LYS 12 -12.165 -1.622 2.664 96 2HE LYS 12 2HE LYS 12 -11.039 -0.520 3.333 97 1HZ LYS 12 1HZ LYS 12 -12.820 0.864 3.395 98 2HZ LYS 12 2HZ LYS 12 -13.681 -0.013 2.347 99 3HZ LYS 12 3HZ LYS 12 -12.570 1.143 1.750 100 H ASP 13 H ASP 13 -14.740 -0.266 0.567 101 HA ASP 13 HA ASP 13 -17.467 -0.284 -0.057 102 1HB ASP 13 1HB ASP 13 -15.918 1.539 1.769 103 2HB ASP 13 2HB ASP 13 -17.620 1.111 1.885 104 H GLU 14 H GLU 14 -18.619 1.830 -0.062 105 HA GLU 14 HA GLU 14 -18.106 3.228 -2.419 106 1HB GLU 14 1HB GLU 14 -19.912 4.775 -1.601 107 2HB GLU 14 2HB GLU 14 -20.342 3.072 -1.675 108 1HG GLU 14 1HG GLU 14 -20.038 2.855 0.714 109 2HG GLU 14 2HG GLU 14 -19.489 4.524 0.816 110 H ASP 15 H ASP 15 -17.069 3.870 0.795 111 HA ASP 15 HA ASP 15 -16.313 6.589 0.442 112 1HB ASP 15 1HB ASP 15 -16.467 5.717 2.673 113 2HB ASP 15 2HB ASP 15 -15.305 4.447 2.312 114 H GLY 16 H GLY 16 -14.675 3.548 0.055 115 1HA GLY 16 1HA GLY 16 -13.055 3.365 -1.778 116 2HA GLY 16 2HA GLY 16 -12.406 4.930 -1.235 117 H LEU 17 H LEU 17 -10.768 4.824 0.152 118 HA LEU 17 HA LEU 17 -10.170 2.128 1.136 119 1HB LEU 17 1HB LEU 17 -8.569 3.256 -0.552 120 2HB LEU 17 2HB LEU 17 -8.196 4.311 0.786 121 HG LEU 17 HG LEU 17 -7.100 2.681 1.943 122 1HD1 LEU 17 11HD LEU 17 -8.747 0.894 1.822 123 2HD1 LEU 17 12HD LEU 17 -7.195 0.269 1.270 124 3HD1 LEU 17 13HD LEU 17 -8.457 0.706 0.104 125 1HD2 LEU 17 21HD LEU 17 -6.679 2.139 -0.969 126 2HD2 LEU 17 22HD LEU 17 -5.571 1.751 0.347 127 3HD2 LEU 17 23HD LEU 17 -5.943 3.438 -0.026 128 H GLY 18 H GLY 18 -9.385 5.469 1.996 129 1HA GLY 18 1HA GLY 18 -9.324 6.533 4.000 130 2HA GLY 18 2HA GLY 18 -10.475 5.332 4.567 131 H ILE 19 H ILE 19 -7.207 4.636 3.413 132 HA ILE 19 HA ILE 19 -6.657 3.736 6.146 133 HB ILE 19 HB ILE 19 -4.889 2.334 5.322 134 1HG1 ILE 19 11HG ILE 19 -5.451 3.511 2.577 135 2HG1 ILE 19 12HG ILE 19 -4.008 3.747 3.547 136 1HG2 ILE 19 21HG ILE 19 -7.061 1.362 5.283 137 2HG2 ILE 19 22HG ILE 19 -6.201 0.808 3.844 138 3HG2 ILE 19 23HG ILE 19 -7.420 2.080 3.727 139 1HD1 ILE 19 11HD ILE 19 -4.940 1.163 2.359 140 2HD1 ILE 19 12HD ILE 19 -3.490 1.354 3.361 141 3HD1 ILE 19 13HD ILE 19 -3.603 2.154 1.784 142 H SER 20 H SER 20 -4.065 3.780 6.511 143 HA SER 20 HA SER 20 -3.192 6.528 5.942 144 1HB SER 20 1HB SER 20 -2.957 5.105 8.595 145 2HB SER 20 2HB SER 20 -2.558 6.785 8.254 146 HG SER 20 HG SER 20 -4.758 7.157 7.850 147 H ILE 21 H ILE 21 -0.975 6.768 5.891 148 HA ILE 21 HA ILE 21 0.517 4.248 5.610 149 HB ILE 21 HB ILE 21 1.851 5.398 3.888 150 1HG1 ILE 21 11HG ILE 21 0.523 7.502 2.870 151 2HG1 ILE 21 12HG ILE 21 -0.004 7.653 4.519 152 1HG2 ILE 21 21HG ILE 21 0.055 3.944 3.201 153 2HG2 ILE 21 22HG ILE 21 0.178 5.312 2.093 154 3HG2 ILE 21 23HG ILE 21 -1.098 5.274 3.312 155 1HD1 ILE 21 11HD ILE 21 2.871 7.648 3.665 156 2HD1 ILE 21 12HD ILE 21 2.258 7.903 5.289 157 3HD1 ILE 21 13HD ILE 21 1.902 9.058 4.017 158 H ILE 22 H ILE 22 2.859 4.468 6.000 159 HA ILE 22 HA ILE 22 3.394 6.788 7.578 160 HB ILE 22 HB ILE 22 3.148 5.042 9.190 161 1HG1 ILE 22 11HG ILE 22 6.096 5.642 8.859 162 2HG1 ILE 22 12HG ILE 22 4.917 6.722 9.588 163 1HG2 ILE 22 21HG ILE 22 3.529 3.106 7.823 164 2HG2 ILE 22 22HG ILE 22 4.565 3.042 9.251 165 3HG2 ILE 22 23HG ILE 22 5.244 3.508 7.686 166 1HD1 ILE 22 11HD ILE 22 6.254 5.554 11.255 167 2HD1 ILE 22 12HD ILE 22 5.674 4.004 10.630 168 3HD1 ILE 22 13HD ILE 22 4.547 5.132 11.375 169 H GLY 23 H GLY 23 5.112 7.904 7.017 170 1HA GLY 23 1HA GLY 23 6.653 6.947 4.773 171 2HA GLY 23 2HA GLY 23 6.666 8.577 5.433 172 H MET 24 H MET 24 8.221 5.608 5.273 173 HA MET 24 HA MET 24 10.390 6.689 6.857 174 1HB MET 24 1HB MET 24 10.808 4.325 7.794 175 2HB MET 24 2HB MET 24 9.637 5.358 8.591 176 1HG MET 24 1HG MET 24 7.850 4.126 7.677 177 2HG MET 24 2HG MET 24 8.882 3.186 6.623 178 1HE MET 24 1HE MET 24 7.795 3.899 10.313 179 2HE MET 24 2HE MET 24 9.537 4.185 10.420 180 3HE MET 24 3HE MET 24 8.817 2.794 11.229 181 H GLY 25 H GLY 25 12.326 5.136 6.733 182 1HA GLY 25 1HA GLY 25 12.597 4.542 3.857 183 2HA GLY 25 2HA GLY 25 13.863 5.354 4.776 184 H VAL 26 H VAL 26 12.386 2.400 3.995 185 HA VAL 26 HA VAL 26 13.846 0.989 6.033 186 HB VAL 26 HB VAL 26 11.577 0.275 5.770 187 1HG1 VAL 26 11HG VAL 26 11.224 0.925 3.474 188 2HG1 VAL 26 12HG VAL 26 10.719 -0.751 3.724 189 3HG1 VAL 26 13HG VAL 26 12.261 -0.388 2.934 190 1HG2 VAL 26 21HG VAL 26 13.166 -1.483 6.380 191 2HG2 VAL 26 22HG VAL 26 13.428 -1.843 4.678 192 3HG2 VAL 26 23HG VAL 26 11.854 -2.147 5.405 193 H GLY 27 H GLY 27 15.870 1.087 5.571 194 1HA GLY 27 1HA GLY 27 17.825 0.101 4.922 195 2HA GLY 27 2HA GLY 27 16.883 -1.030 3.994 196 H ALA 28 H ALA 28 18.133 2.270 3.903 197 HA ALA 28 HA ALA 28 18.198 2.213 1.005 198 1HB ALA 28 1HB ALA 28 17.772 4.343 2.156 199 2HB ALA 28 2HB ALA 28 19.276 4.431 1.237 200 3HB ALA 28 3HB ALA 28 19.321 4.204 2.986 201 H ASP 29 H ASP 29 20.053 1.363 3.671 202 HA ASP 29 HA ASP 29 22.561 1.015 2.193 203 1HB ASP 29 1HB ASP 29 22.737 2.128 4.358 204 2HB ASP 29 2HB ASP 29 21.828 0.846 5.131 205 H ALA 30 H ALA 30 19.879 -0.602 2.261 206 HA ALA 30 HA ALA 30 20.979 -3.216 3.019 207 1HB ALA 30 1HB ALA 30 18.119 -2.438 2.585 208 2HB ALA 30 2HB ALA 30 18.931 -2.567 4.145 209 3HB ALA 30 3HB ALA 30 18.695 -4.006 3.148 210 H GLY 31 H GLY 31 21.073 -1.615 0.299 211 1HA GLY 31 1HA GLY 31 21.748 -2.665 -1.741 212 2HA GLY 31 2HA GLY 31 20.962 -4.113 -1.170 213 H LEU 32 H LEU 32 18.445 -3.398 -0.746 214 HA LEU 32 HA LEU 32 17.543 -3.477 -3.446 215 1HB LEU 32 1HB LEU 32 15.893 -3.212 -0.961 216 2HB LEU 32 2HB LEU 32 15.335 -3.781 -2.520 217 HG LEU 32 HG LEU 32 17.148 -5.160 -0.556 218 1HD1 LEU 32 11HD LEU 32 14.812 -5.390 -0.099 219 2HD1 LEU 32 12HD LEU 32 15.491 -6.928 -0.626 220 3HD1 LEU 32 13HD LEU 32 14.514 -5.971 -1.740 221 1HD2 LEU 32 21HD LEU 32 18.150 -5.512 -2.705 222 2HD2 LEU 32 22HD LEU 32 16.601 -5.982 -3.417 223 3HD2 LEU 32 23HD LEU 32 17.366 -7.009 -2.194 224 H GLU 33 H GLU 33 17.205 -1.186 -0.831 225 HA GLU 33 HA GLU 33 16.654 0.980 -0.689 226 1HB GLU 33 1HB GLU 33 17.748 1.114 -3.494 227 2HB GLU 33 2HB GLU 33 17.459 2.484 -2.439 228 1HG GLU 33 1HG GLU 33 19.132 1.643 -0.887 229 2HG GLU 33 2HG GLU 33 19.416 0.264 -1.954 230 H LYS 34 H LYS 34 14.458 0.429 -0.630 231 HA LYS 34 HA LYS 34 13.001 1.474 -2.933 232 1HB LYS 34 1HB LYS 34 11.365 -0.228 -2.953 233 2HB LYS 34 2HB LYS 34 12.900 -1.070 -2.915 234 1HG LYS 34 1HG LYS 34 11.084 -0.613 -0.574 235 2HG LYS 34 2HG LYS 34 11.204 -2.100 -1.505 236 1HD LYS 34 1HD LYS 34 13.447 -2.458 -0.754 237 2HD LYS 34 2HD LYS 34 13.500 -0.855 -0.003 238 1HE LYS 34 1HE LYS 34 11.653 -1.431 1.319 239 2HE LYS 34 2HE LYS 34 11.671 -3.087 0.695 240 1HZ LYS 34 1HZ LYS 34 13.977 -3.282 1.627 241 2HZ LYS 34 2HZ LYS 34 12.810 -3.058 2.796 242 3HZ LYS 34 3HZ LYS 34 13.796 -1.763 2.343 243 H LEU 35 H LEU 35 10.607 1.646 -2.232 244 HA LEU 35 HA LEU 35 10.449 3.890 -0.642 245 1HB LEU 35 1HB LEU 35 8.100 3.630 -0.658 246 2HB LEU 35 2HB LEU 35 8.709 3.051 -2.198 247 HG LEU 35 HG LEU 35 8.264 1.080 -0.034 248 1HD1 LEU 35 11HD LEU 35 6.090 2.276 -1.758 249 2HD1 LEU 35 12HD LEU 35 6.239 2.381 0.002 250 3HD1 LEU 35 13HD LEU 35 5.907 0.836 -0.754 251 1HD2 LEU 35 21HD LEU 35 7.654 -0.384 -1.888 252 2HD2 LEU 35 22HD LEU 35 9.244 0.330 -2.146 253 3HD2 LEU 35 23HD LEU 35 7.839 0.949 -3.021 254 H GLY 36 H GLY 36 9.627 4.220 1.444 255 1HA GLY 36 1HA GLY 36 9.554 1.847 3.142 256 2HA GLY 36 2HA GLY 36 10.250 3.385 3.681 257 H ILE 37 H ILE 37 7.434 3.083 1.673 258 HA ILE 37 HA ILE 37 5.906 4.384 3.755 259 HB ILE 37 HB ILE 37 4.976 3.557 0.993 260 1HG1 ILE 37 11HG ILE 37 6.870 5.217 0.969 261 2HG1 ILE 37 12HG ILE 37 5.375 5.845 0.256 262 1HG2 ILE 37 21HG ILE 37 3.192 3.831 2.596 263 2HG2 ILE 37 22HG ILE 37 3.162 5.171 1.443 264 3HG2 ILE 37 23HG ILE 37 3.817 5.407 3.065 265 1HD1 ILE 37 11HD ILE 37 6.559 6.416 2.952 266 2HD1 ILE 37 12HD ILE 37 4.976 6.996 2.411 267 3HD1 ILE 37 13HD ILE 37 6.437 7.530 1.584 268 H PHE 38 H PHE 38 5.201 3.063 5.198 269 HA PHE 38 HA PHE 38 4.277 0.384 4.404 270 1HB PHE 38 1HB PHE 38 5.049 1.523 7.081 271 2HB PHE 38 2HB PHE 38 4.388 -0.086 6.889 272 HD1 PHE 38 HD1 PHE 38 5.737 -1.881 6.043 273 HD2 PHE 38 HD2 PHE 38 7.234 2.071 6.279 274 HE1 PHE 38 HE1 PHE 38 8.019 -2.737 5.714 275 HE2 PHE 38 HE2 PHE 38 9.493 1.286 5.958 276 HZ PHE 38 HZ PHE 38 9.916 -1.172 5.667 277 H VAL 39 H VAL 39 2.360 -0.383 5.685 278 HA VAL 39 HA VAL 39 0.324 1.616 5.530 279 HB VAL 39 HB VAL 39 0.142 -1.224 6.610 280 1HG1 VAL 39 11HG VAL 39 -1.985 0.651 5.601 281 2HG1 VAL 39 12HG VAL 39 -1.720 0.185 7.280 282 3HG1 VAL 39 13HG VAL 39 -2.242 -1.020 6.101 283 1HG2 VAL 39 21HG VAL 39 0.980 -1.215 4.302 284 2HG2 VAL 39 22HG VAL 39 -0.375 -0.209 3.813 285 3HG2 VAL 39 23HG VAL 39 -0.660 -1.857 4.378 286 H LYS 40 H LYS 40 -0.157 2.903 7.137 287 HA LYS 40 HA LYS 40 1.061 2.447 9.713 288 1HB LYS 40 1HB LYS 40 1.197 4.705 8.854 289 2HB LYS 40 2HB LYS 40 -0.528 4.757 8.609 290 1HG LYS 40 1HG LYS 40 -0.020 6.146 10.479 291 2HG LYS 40 2HG LYS 40 -0.835 4.711 11.079 292 1HD LYS 40 1HD LYS 40 2.175 5.046 11.146 293 2HD LYS 40 2HD LYS 40 1.125 5.591 12.445 294 1HE LYS 40 1HE LYS 40 0.290 3.197 12.581 295 2HE LYS 40 2HE LYS 40 1.587 2.796 11.465 296 1HZ LYS 40 1HZ LYS 40 2.262 2.437 13.806 297 2HZ LYS 40 2HZ LYS 40 2.015 4.073 14.097 298 3HZ LYS 40 3HZ LYS 40 3.216 3.605 13.051 299 H THR 41 H THR 41 -2.125 2.937 8.294 300 HA THR 41 HA THR 41 -3.294 1.302 10.374 301 HB THR 41 HB THR 41 -4.788 3.663 9.562 302 HG1 THR 41 HG1 THR 41 -3.573 5.099 10.627 303 1HG2 THR 41 21HG THR 41 -5.796 2.060 11.034 304 2HG2 THR 41 22HG THR 41 -5.574 3.573 11.916 305 3HG2 THR 41 23HG THR 41 -4.472 2.224 12.191 306 H VAL 42 H VAL 42 -5.346 0.588 9.617 307 HA VAL 42 HA VAL 42 -5.993 1.250 6.926 308 HB VAL 42 HB VAL 42 -4.810 -0.818 6.609 309 1HG1 VAL 42 11HG VAL 42 -5.279 -2.877 7.811 310 2HG1 VAL 42 12HG VAL 42 -6.412 -1.997 8.843 311 3HG1 VAL 42 13HG VAL 42 -4.693 -1.579 8.853 312 1HG2 VAL 42 21HG VAL 42 -6.527 -2.397 5.821 313 2HG2 VAL 42 22HG VAL 42 -6.861 -0.723 5.351 314 3HG2 VAL 42 23HG VAL 42 -7.744 -1.452 6.684 315 H THR 43 H THR 43 -8.299 0.860 6.502 316 HA THR 43 HA THR 43 -9.800 2.091 8.438 317 HB THR 43 HB THR 43 -10.421 2.187 6.065 318 HG1 THR 43 HG1 THR 43 -12.202 2.616 7.209 319 1HG2 THR 43 21HG THR 43 -11.548 0.255 5.058 320 2HG2 THR 43 22HG THR 43 -11.141 -0.638 6.545 321 3HG2 THR 43 23HG THR 43 -9.843 -0.085 5.479 322 H GLU 44 H GLU 44 -11.276 1.517 9.753 323 HA GLU 44 HA GLU 44 -10.804 -0.554 11.461 324 1HB GLU 44 1HB GLU 44 -12.936 0.120 12.489 325 2HB GLU 44 2HB GLU 44 -11.774 1.421 12.241 326 1HG GLU 44 1HG GLU 44 -12.989 2.061 10.228 327 2HG GLU 44 2HG GLU 44 -14.153 0.782 10.555 328 H GLY 45 H GLY 45 -13.403 -0.325 9.042 329 1HA GLY 45 1HA GLY 45 -13.424 -3.136 8.925 330 2HA GLY 45 2HA GLY 45 -14.895 -2.522 9.736 331 H GLY 46 H GLY 46 -13.034 -1.162 7.058 332 1HA GLY 46 1HA GLY 46 -15.291 -1.515 5.399 333 2HA GLY 46 2HA GLY 46 -13.740 -0.749 5.009 334 H ALA 47 H ALA 47 -14.381 -2.224 3.316 335 HA ALA 47 HA ALA 47 -14.181 -5.025 3.425 336 1HB ALA 47 1HB ALA 47 -13.322 -3.496 1.057 337 2HB ALA 47 2HB ALA 47 -15.027 -3.683 1.502 338 3HB ALA 47 3HB ALA 47 -14.051 -5.102 1.077 339 H ALA 48 H ALA 48 -11.602 -3.012 3.973 340 HA ALA 48 HA ALA 48 -9.531 -4.606 2.737 341 1HB ALA 48 1HB ALA 48 -9.194 -2.188 3.003 342 2HB ALA 48 2HB ALA 48 -7.971 -3.099 3.888 343 3HB ALA 48 3HB ALA 48 -9.321 -2.368 4.751 344 H GLN 49 H GLN 49 -10.164 -3.715 6.197 345 HA GLN 49 HA GLN 49 -8.809 -6.013 7.062 346 1HB GLN 49 1HB GLN 49 -10.509 -3.999 8.496 347 2HB GLN 49 2HB GLN 49 -9.843 -5.405 9.328 348 1HG GLN 49 1HG GLN 49 -7.583 -4.666 8.533 349 2HG GLN 49 2HG GLN 49 -8.376 -3.198 7.949 350 1HE2 GLN 49 21HE GLN 49 -10.160 -2.916 10.137 351 2HE2 GLN 49 22HE GLN 49 -9.239 -2.467 11.523 352 H ARG 50 H ARG 50 -12.067 -5.493 6.095 353 HA ARG 50 HA ARG 50 -13.182 -7.768 7.337 354 1HB ARG 50 1HB ARG 50 -13.932 -6.493 4.710 355 2HB ARG 50 2HB ARG 50 -14.891 -7.703 5.539 356 1HG ARG 50 1HG ARG 50 -14.128 -5.130 6.780 357 2HG ARG 50 2HG ARG 50 -15.607 -5.271 5.809 358 1HD ARG 50 1HD ARG 50 -16.324 -7.042 7.418 359 2HD ARG 50 2HD ARG 50 -14.886 -6.692 8.392 360 HE ARG 50 HE ARG 50 -16.232 -4.309 7.895 361 1HH1 ARG 50 11HH ARG 50 -16.819 -7.272 9.744 362 2HH1 ARG 50 12HH ARG 50 -17.775 -6.505 10.916 363 1HH2 ARG 50 21HH ARG 50 -17.582 -3.271 9.495 364 2HH2 ARG 50 22HH ARG 50 -18.242 -4.193 10.759 365 H ASP 51 H ASP 51 -11.319 -7.190 4.416 366 HA ASP 51 HA ASP 51 -11.676 -9.755 3.221 367 1HB ASP 51 1HB ASP 51 -10.895 -7.693 1.989 368 2HB ASP 51 2HB ASP 51 -9.342 -7.851 2.784 369 H GLY 52 H GLY 52 -8.775 -8.305 4.620 370 1HA GLY 52 1HA GLY 52 -7.622 -9.269 6.465 371 2HA GLY 52 2HA GLY 52 -8.326 -10.819 6.049 372 H ARG 53 H ARG 53 -7.349 -9.960 3.084 373 HA ARG 53 HA ARG 53 -4.864 -11.398 3.393 374 1HB ARG 53 1HB ARG 53 -6.539 -11.303 1.305 375 2HB ARG 53 2HB ARG 53 -5.544 -9.932 0.855 376 1HG ARG 53 1HG ARG 53 -4.478 -12.716 1.363 377 2HG ARG 53 2HG ARG 53 -4.861 -12.064 -0.227 378 1HD ARG 53 1HD ARG 53 -3.090 -10.582 -0.181 379 2HD ARG 53 2HD ARG 53 -2.991 -10.602 1.576 380 HE ARG 53 HE ARG 53 -2.228 -12.895 -0.089 381 1HH1 ARG 53 11HH ARG 53 -1.542 -10.618 2.579 382 2HH1 ARG 53 12HH ARG 53 -0.097 -11.359 3.050 383 1HH2 ARG 53 21HH ARG 53 -0.197 -13.943 0.604 384 2HH2 ARG 53 22HH ARG 53 0.675 -13.299 1.906 385 H ILE 54 H ILE 54 -5.857 -8.130 3.058 386 HA ILE 54 HA ILE 54 -3.114 -7.162 2.932 387 HB ILE 54 HB ILE 54 -5.077 -6.141 1.590 388 1HG1 ILE 54 11HG ILE 54 -3.666 -4.179 3.401 389 2HG1 ILE 54 12HG ILE 54 -2.868 -4.993 2.058 390 1HG2 ILE 54 21HG ILE 54 -5.766 -5.161 4.346 391 2HG2 ILE 54 22HG ILE 54 -6.783 -6.150 3.292 392 3HG2 ILE 54 23HG ILE 54 -6.443 -4.463 2.868 393 1HD1 ILE 54 11HD ILE 54 -4.445 -4.022 0.518 394 2HD1 ILE 54 12HD ILE 54 -3.590 -2.772 1.413 395 3HD1 ILE 54 13HD ILE 54 -5.270 -3.202 1.841 396 H GLN 55 H GLN 55 -2.385 -5.618 4.748 397 HA GLN 55 HA GLN 55 -3.872 -6.227 7.140 398 1HB GLN 55 1HB GLN 55 -0.877 -6.589 6.843 399 2HB GLN 55 2HB GLN 55 -1.811 -6.824 8.310 400 1HG GLN 55 1HG GLN 55 -2.999 -8.689 7.265 401 2HG GLN 55 2HG GLN 55 -2.063 -8.458 5.792 402 1HE2 GLN 55 21HE GLN 55 -0.764 -8.201 9.047 403 2HE2 GLN 55 22HE GLN 55 0.209 -9.611 8.967 404 H VAL 56 H VAL 56 -2.065 -5.079 8.926 405 HA VAL 56 HA VAL 56 -1.903 -2.292 8.006 406 HB VAL 56 HB VAL 56 -3.474 -2.872 9.936 407 1HG1 VAL 56 11HG VAL 56 -2.486 -3.117 12.185 408 2HG1 VAL 56 12HG VAL 56 -0.914 -3.388 11.416 409 3HG1 VAL 56 13HG VAL 56 -2.246 -4.498 11.122 410 1HG2 VAL 56 21HG VAL 56 -1.295 -0.870 10.469 411 2HG2 VAL 56 22HG VAL 56 -2.859 -0.901 11.289 412 3HG2 VAL 56 23HG VAL 56 -2.770 -0.591 9.554 413 H ASN 57 H ASN 57 -0.146 -4.784 8.033 414 HA ASN 57 HA ASN 57 2.234 -3.662 9.384 415 1HB ASN 57 1HB ASN 57 1.291 -5.647 10.534 416 2HB ASN 57 2HB ASN 57 1.518 -6.586 9.067 417 1HD2 ASN 57 21HD ASN 57 3.039 -5.045 11.748 418 2HD2 ASN 57 22HD ASN 57 4.572 -5.847 11.583 419 H ASP 58 H ASP 58 0.874 -4.430 6.456 420 HA ASP 58 HA ASP 58 3.290 -5.438 5.246 421 1HB ASP 58 1HB ASP 58 1.940 -5.700 3.204 422 2HB ASP 58 2HB ASP 58 1.114 -6.437 4.560 423 H GLN 59 H GLN 59 2.936 -4.215 2.713 424 HA GLN 59 HA GLN 59 3.509 -1.438 3.248 425 1HB GLN 59 1HB GLN 59 5.641 -2.592 3.550 426 2HB GLN 59 2HB GLN 59 5.436 -3.337 1.965 427 1HG GLN 59 1HG GLN 59 5.640 -1.252 0.870 428 2HG GLN 59 2HG GLN 59 5.579 -0.381 2.397 429 1HE2 GLN 59 21HE GLN 59 7.408 0.587 2.085 430 2HE2 GLN 59 22HE GLN 59 8.981 -0.144 2.103 431 H ILE 60 H ILE 60 2.476 -0.327 1.766 432 HA ILE 60 HA ILE 60 1.278 -1.467 -0.545 433 HB ILE 60 HB ILE 60 1.783 1.462 0.006 434 1HG1 ILE 60 11HG ILE 60 0.577 0.488 1.922 435 2HG1 ILE 60 12HG ILE 60 -0.472 1.542 0.988 436 1HG2 ILE 60 21HG ILE 60 -0.343 0.110 -1.612 437 2HG2 ILE 60 22HG ILE 60 1.142 0.727 -2.281 438 3HG2 ILE 60 23HG ILE 60 -0.022 1.850 -1.548 439 1HD1 ILE 60 11HD ILE 60 -0.450 -1.462 0.918 440 2HD1 ILE 60 12HD ILE 60 -1.503 -0.424 -0.047 441 3HD1 ILE 60 13HD ILE 60 -1.651 -0.445 1.713 442 H VAL 61 H VAL 61 2.607 -2.128 -2.165 443 HA VAL 61 HA VAL 61 5.086 -0.702 -2.684 444 HB VAL 61 HB VAL 61 3.932 -3.224 -3.907 445 1HG1 VAL 61 11HG VAL 61 6.110 -3.666 -4.799 446 2HG1 VAL 61 12HG VAL 61 6.692 -2.081 -4.255 447 3HG1 VAL 61 13HG VAL 61 5.421 -2.197 -5.489 448 1HG2 VAL 61 21HG VAL 61 6.101 -2.859 -1.850 449 2HG2 VAL 61 22HG VAL 61 5.617 -4.394 -2.573 450 3HG2 VAL 61 23HG VAL 61 4.479 -3.494 -1.575 451 H GLU 62 H GLU 62 2.219 -1.640 -4.499 452 HA GLU 62 HA GLU 62 2.464 0.748 -6.143 453 1HB GLU 62 1HB GLU 62 3.725 -0.746 -7.489 454 2HB GLU 62 2HB GLU 62 2.596 -2.059 -7.325 455 1HG GLU 62 1HG GLU 62 0.935 -0.694 -8.604 456 2HG GLU 62 2HG GLU 62 2.197 0.513 -8.833 457 H VAL 63 H VAL 63 0.529 1.628 -5.777 458 HA VAL 63 HA VAL 63 -1.744 -0.158 -5.895 459 HB VAL 63 HB VAL 63 -1.278 2.347 -4.322 460 1HG1 VAL 63 11HG VAL 63 -3.142 2.984 -5.784 461 2HG1 VAL 63 12HG VAL 63 -3.651 2.763 -4.098 462 3HG1 VAL 63 13HG VAL 63 -4.015 1.521 -5.303 463 1HG2 VAL 63 21HG VAL 63 -1.235 0.077 -3.418 464 2HG2 VAL 63 22HG VAL 63 -2.903 -0.136 -3.945 465 3HG2 VAL 63 23HG VAL 63 -2.518 1.070 -2.719 466 H ASP 64 H ASP 64 -3.124 -0.111 -7.383 467 HA ASP 64 HA ASP 64 -4.319 0.395 -9.250 468 1HB ASP 64 1HB ASP 64 -4.956 2.352 -7.793 469 2HB ASP 64 2HB ASP 64 -3.692 3.288 -8.574 470 H GLY 65 H GLY 65 -1.314 0.250 -9.252 471 1HA GLY 65 1HA GLY 65 0.236 0.005 -10.955 472 2HA GLY 65 2HA GLY 65 -0.951 0.669 -12.071 473 H ILE 66 H ILE 66 -0.363 2.562 -9.245 474 HA ILE 66 HA ILE 66 0.754 4.630 -10.879 475 HB ILE 66 HB ILE 66 -0.915 4.831 -8.789 476 1HG1 ILE 66 11HG ILE 66 1.354 6.793 -9.127 477 2HG1 ILE 66 12HG ILE 66 0.005 6.649 -10.256 478 1HG2 ILE 66 21HG ILE 66 0.532 3.795 -7.151 479 2HG2 ILE 66 22HG ILE 66 0.250 5.494 -6.737 480 3HG2 ILE 66 23HG ILE 66 1.779 5.001 -7.468 481 1HD1 ILE 66 11HD ILE 66 -0.166 7.382 -7.359 482 2HD1 ILE 66 12HD ILE 66 -1.533 7.206 -8.454 483 3HD1 ILE 66 13HD ILE 66 -0.344 8.489 -8.726 484 H SER 67 H SER 67 1.966 2.282 -8.702 485 HA SER 67 HA SER 67 3.919 1.778 -7.748 486 1HB SER 67 1HB SER 67 4.519 1.374 -10.156 487 2HB SER 67 2HB SER 67 5.177 3.014 -10.214 488 HG SER 67 HG SER 67 6.939 2.061 -9.589 489 H LEU 68 H LEU 68 4.082 2.865 -5.963 490 HA LEU 68 HA LEU 68 4.968 5.650 -6.052 491 1HB LEU 68 1HB LEU 68 4.108 5.772 -3.769 492 2HB LEU 68 2HB LEU 68 2.885 5.237 -4.902 493 HG LEU 68 HG LEU 68 4.278 3.013 -3.756 494 1HD1 LEU 68 11HD LEU 68 4.624 4.513 -1.949 495 2HD1 LEU 68 12HD LEU 68 3.467 3.258 -1.478 496 3HD1 LEU 68 13HD LEU 68 2.906 4.903 -1.860 497 1HD2 LEU 68 21HD LEU 68 1.400 3.902 -3.697 498 2HD2 LEU 68 22HD LEU 68 2.002 2.295 -3.270 499 3HD2 LEU 68 23HD LEU 68 2.178 2.896 -4.923 500 H VAL 69 H VAL 69 6.448 3.127 -6.234 501 HA VAL 69 HA VAL 69 8.063 2.667 -4.003 502 HB VAL 69 HB VAL 69 8.888 2.256 -6.883 503 1HG1 VAL 69 11HG VAL 69 9.846 0.915 -4.360 504 2HG1 VAL 69 12HG VAL 69 10.753 2.061 -5.349 505 3HG1 VAL 69 13HG VAL 69 10.329 0.477 -5.998 506 1HG2 VAL 69 21HG VAL 69 6.774 1.163 -6.542 507 2HG2 VAL 69 22HG VAL 69 7.340 0.438 -5.037 508 3HG2 VAL 69 23HG VAL 69 8.043 -0.064 -6.574 509 H GLY 70 H GLY 70 8.766 4.592 -3.126 510 1HA GLY 70 1HA GLY 70 11.034 5.566 -2.919 511 2HA GLY 70 2HA GLY 70 10.919 5.917 -4.634 512 H VAL 71 H VAL 71 7.919 6.379 -3.217 513 HA VAL 71 HA VAL 71 8.271 9.244 -3.462 514 HB VAL 71 HB VAL 71 5.885 9.456 -3.364 515 1HG1 VAL 71 11HG VAL 71 6.660 7.103 -5.050 516 2HG1 VAL 71 12HG VAL 71 6.771 8.813 -5.499 517 3HG1 VAL 71 13HG VAL 71 5.196 8.060 -5.239 518 1HG2 VAL 71 21HG VAL 71 5.430 7.859 -1.575 519 2HG2 VAL 71 22HG VAL 71 5.774 6.518 -2.668 520 3HG2 VAL 71 23HG VAL 71 4.388 7.577 -2.965 521 H THR 72 H THR 72 6.736 10.519 -1.833 522 HA THR 72 HA THR 72 7.779 10.001 0.833 523 HB THR 72 HB THR 72 6.645 12.215 1.306 524 HG1 THR 72 HG1 THR 72 6.715 12.583 -1.506 525 1HG2 THR 72 21HG THR 72 8.843 12.156 -0.785 526 2HG2 THR 72 22HG THR 72 9.065 12.065 0.965 527 3HG2 THR 72 23HG THR 72 8.441 13.542 0.230 528 H GLN 73 H GLN 73 6.208 10.676 2.520 529 HA GLN 73 HA GLN 73 4.081 8.912 2.542 530 1HB GLN 73 1HB GLN 73 3.592 9.713 4.729 531 2HB GLN 73 2HB GLN 73 5.316 9.799 4.516 532 1HG GLN 73 1HG GLN 73 3.385 12.028 4.377 533 2HG GLN 73 2HG GLN 73 4.446 11.697 5.748 534 1HE2 GLN 73 21HE GLN 73 6.752 11.626 5.126 535 2HE2 GLN 73 22HE GLN 73 7.330 12.822 4.042 536 H ASN 74 H ASN 74 4.201 12.336 1.778 537 HA ASN 74 HA ASN 74 1.409 12.629 1.784 538 1HB ASN 74 1HB ASN 74 1.735 14.796 0.640 539 2HB ASN 74 2HB ASN 74 2.764 14.626 2.055 540 1HD2 ASN 74 21HD ASN 74 4.947 14.581 1.751 541 2HD2 ASN 74 22HD ASN 74 5.705 14.959 0.250 542 H PHE 75 H PHE 75 3.653 11.664 -0.713 543 HA PHE 75 HA PHE 75 1.776 11.852 -2.818 544 1HB PHE 75 1HB PHE 75 4.237 11.575 -3.186 545 2HB PHE 75 2HB PHE 75 4.090 9.924 -2.582 546 HD1 PHE 75 HD1 PHE 75 2.619 8.267 -3.927 547 HD2 PHE 75 HD2 PHE 75 3.833 12.063 -5.438 548 HE1 PHE 75 HE1 PHE 75 2.102 7.514 -6.193 549 HE2 PHE 75 HE2 PHE 75 3.321 11.301 -7.721 550 HZ PHE 75 HZ PHE 75 2.462 9.028 -8.103 551 H ALA 76 H ALA 76 2.894 9.166 -0.762 552 HA ALA 76 HA ALA 76 1.151 7.222 -1.750 553 1HB ALA 76 1HB ALA 76 1.650 5.993 0.261 554 2HB ALA 76 2HB ALA 76 2.298 7.448 1.019 555 3HB ALA 76 3HB ALA 76 3.114 6.742 -0.377 556 H ALA 77 H ALA 77 0.763 9.464 0.972 557 HA ALA 77 HA ALA 77 -1.709 8.510 1.877 558 1HB ALA 77 1HB ALA 77 -0.631 11.314 2.080 559 2HB ALA 77 2HB ALA 77 -0.227 9.991 3.176 560 3HB ALA 77 3HB ALA 77 -1.882 10.595 3.101 561 H THR 78 H THR 78 -0.897 10.369 -0.849 562 HA THR 78 HA THR 78 -3.551 11.373 -1.213 563 HB THR 78 HB THR 78 -1.099 11.420 -2.987 564 HG1 THR 78 HG1 THR 78 -0.817 12.767 -1.327 565 1HG2 THR 78 21HG THR 78 -3.113 11.466 -4.370 566 2HG2 THR 78 22HG THR 78 -2.357 13.063 -4.371 567 3HG2 THR 78 23HG THR 78 -3.793 12.754 -3.384 568 H VAL 79 H VAL 79 -1.474 8.903 -2.747 569 HA VAL 79 HA VAL 79 -3.343 8.035 -4.627 570 HB VAL 79 HB VAL 79 -1.249 6.258 -3.312 571 1HG1 VAL 79 11HG VAL 79 -1.303 5.001 -5.381 572 2HG1 VAL 79 12HG VAL 79 -2.554 6.066 -6.015 573 3HG1 VAL 79 13HG VAL 79 -2.892 5.044 -4.622 574 1HG2 VAL 79 21HG VAL 79 -0.222 8.296 -4.109 575 2HG2 VAL 79 22HG VAL 79 -1.027 8.117 -5.661 576 3HG2 VAL 79 23HG VAL 79 0.203 6.947 -5.161 577 H LEU 80 H LEU 80 -2.565 6.605 -1.464 578 HA LEU 80 HA LEU 80 -4.650 4.669 -1.495 579 1HB LEU 80 1HB LEU 80 -2.989 5.781 0.772 580 2HB LEU 80 2HB LEU 80 -4.163 4.508 0.990 581 HG LEU 80 HG LEU 80 -2.032 3.481 0.929 582 1HD1 LEU 80 11HD LEU 80 -2.134 1.985 -0.924 583 2HD1 LEU 80 12HD LEU 80 -3.242 3.064 -1.770 584 3HD1 LEU 80 13HD LEU 80 -3.744 2.282 -0.271 585 1HD2 LEU 80 21HD LEU 80 -0.413 3.708 -0.880 586 2HD2 LEU 80 22HD LEU 80 -0.747 5.273 -0.134 587 3HD2 LEU 80 23HD LEU 80 -1.481 4.860 -1.684 588 H ARG 81 H ARG 81 -4.891 7.934 -1.198 589 HA ARG 81 HA ARG 81 -7.327 7.937 0.456 590 1HB ARG 81 1HB ARG 81 -5.762 9.770 0.811 591 2HB ARG 81 2HB ARG 81 -5.759 10.120 -0.905 592 1HG ARG 81 1HG ARG 81 -8.300 10.495 -0.577 593 2HG ARG 81 2HG ARG 81 -7.864 10.680 1.124 594 1HD ARG 81 1HD ARG 81 -6.287 12.438 0.563 595 2HD ARG 81 2HD ARG 81 -6.614 12.150 -1.156 596 HE ARG 81 HE ARG 81 -8.973 12.753 0.267 597 1HH1 ARG 81 11HH ARG 81 -6.085 14.366 -0.988 598 2HH1 ARG 81 12HH ARG 81 -6.897 15.771 -1.471 599 1HH2 ARG 81 21HH ARG 81 -10.122 14.700 -0.448 600 2HH2 ARG 81 22HH ARG 81 -9.238 15.962 -1.170 601 H ASN 82 H ASN 82 -6.081 8.582 -2.753 602 HA ASN 82 HA ASN 82 -8.538 9.511 -3.889 603 1HB ASN 82 1HB ASN 82 -5.836 8.891 -5.057 604 2HB ASN 82 2HB ASN 82 -7.188 9.226 -6.104 605 1HD2 ASN 82 21HD ASN 82 -6.332 10.745 -3.058 606 2HD2 ASN 82 22HD ASN 82 -6.124 12.348 -3.704 607 H THR 83 H THR 83 -7.357 6.460 -3.238 608 HA THR 83 HA THR 83 -8.438 5.091 -5.450 609 HB THR 83 HB THR 83 -8.175 3.134 -3.920 610 HG1 THR 83 HG1 THR 83 -8.199 4.667 -2.047 611 1HG2 THR 83 21HG THR 83 -6.478 3.724 -5.583 612 2HG2 THR 83 22HG THR 83 -5.725 3.166 -4.083 613 3HG2 THR 83 23HG THR 83 -5.771 4.884 -4.449 614 H LYS 84 H LYS 84 -10.242 4.076 -5.668 615 HA LYS 84 HA LYS 84 -12.313 4.407 -3.646 616 1HB LYS 84 1HB LYS 84 -12.447 4.241 -6.649 617 2HB LYS 84 2HB LYS 84 -13.874 3.947 -5.669 618 1HG LYS 84 1HG LYS 84 -12.233 6.472 -5.642 619 2HG LYS 84 2HG LYS 84 -13.772 6.247 -6.484 620 1HD LYS 84 1HD LYS 84 -14.881 5.780 -4.411 621 2HD LYS 84 2HD LYS 84 -13.385 5.913 -3.508 622 1HE LYS 84 1HE LYS 84 -13.167 8.231 -4.213 623 2HE LYS 84 2HE LYS 84 -14.710 8.130 -5.057 624 1HZ LYS 84 1HZ LYS 84 -14.348 7.739 -2.116 625 2HZ LYS 84 2HZ LYS 84 -15.808 7.677 -2.945 626 3HZ LYS 84 3HZ LYS 84 -14.976 9.124 -2.836 627 H GLY 85 H GLY 85 -14.075 2.513 -4.588 628 1HA GLY 85 1HA GLY 85 -13.592 0.360 -3.112 629 2HA GLY 85 2HA GLY 85 -14.555 0.299 -4.562 630 H ASN 86 H ASN 86 -12.824 0.339 -6.560 631 HA ASN 86 HA ASN 86 -11.605 -2.288 -6.115 632 1HB ASN 86 1HB ASN 86 -12.181 -0.858 -8.707 633 2HB ASN 86 2HB ASN 86 -11.338 -2.402 -8.615 634 1HD2 ASN 86 21HD ASN 86 -14.362 -0.770 -8.247 635 2HD2 ASN 86 22HD ASN 86 -15.335 -2.196 -8.144 636 H VAL 87 H VAL 87 -9.722 -2.197 -5.270 637 HA VAL 87 HA VAL 87 -7.761 -0.294 -6.413 638 HB VAL 87 HB VAL 87 -7.248 -1.466 -3.790 639 1HG1 VAL 87 11HG VAL 87 -5.619 -0.098 -4.762 640 2HG1 VAL 87 12HG VAL 87 -6.258 0.703 -3.326 641 3HG1 VAL 87 13HG VAL 87 -6.755 1.241 -4.934 642 1HG2 VAL 87 21HG VAL 87 -8.519 0.264 -2.577 643 2HG2 VAL 87 22HG VAL 87 -9.508 -0.918 -3.450 644 3HG2 VAL 87 23HG VAL 87 -9.297 0.708 -4.111 645 H ARG 88 H ARG 88 -6.126 -1.229 -7.299 646 HA ARG 88 HA ARG 88 -5.438 -4.028 -6.772 647 1HB ARG 88 1HB ARG 88 -4.458 -1.981 -8.745 648 2HB ARG 88 2HB ARG 88 -3.733 -3.572 -8.566 649 1HG ARG 88 1HG ARG 88 -5.543 -4.654 -9.427 650 2HG ARG 88 2HG ARG 88 -6.655 -3.325 -9.060 651 1HD ARG 88 1HD ARG 88 -6.159 -3.528 -11.452 652 2HD ARG 88 2HD ARG 88 -5.691 -1.982 -10.723 653 HE ARG 88 HE ARG 88 -3.619 -4.021 -10.984 654 1HH1 ARG 88 11HH ARG 88 -4.995 -0.991 -12.275 655 2HH1 ARG 88 12HH ARG 88 -3.588 -0.568 -13.119 656 1HH2 ARG 88 21HH ARG 88 -1.654 -3.366 -12.169 657 2HH2 ARG 88 22HH ARG 88 -1.695 -1.917 -13.065 658 H PHE 89 H PHE 89 -4.540 -4.100 -4.835 659 HA PHE 89 HA PHE 89 -2.383 -2.277 -4.165 660 1HB PHE 89 1HB PHE 89 -3.548 -4.592 -2.624 661 2HB PHE 89 2HB PHE 89 -2.316 -3.472 -2.060 662 HD1 PHE 89 HD1 PHE 89 -2.896 -1.153 -1.635 663 HD2 PHE 89 HD2 PHE 89 -5.814 -4.065 -2.576 664 HE1 PHE 89 HE1 PHE 89 -4.614 0.327 -0.753 665 HE2 PHE 89 HE2 PHE 89 -7.573 -2.594 -1.683 666 HZ PHE 89 HZ PHE 89 -6.967 -0.372 -0.770 667 H VAL 90 H VAL 90 -0.630 -2.857 -5.368 668 HA VAL 90 HA VAL 90 0.041 -5.668 -5.413 669 HB VAL 90 HB VAL 90 1.499 -3.311 -6.586 670 1HG1 VAL 90 11HG VAL 90 2.988 -5.208 -6.192 671 2HG1 VAL 90 12HG VAL 90 2.734 -4.998 -7.925 672 3HG1 VAL 90 13HG VAL 90 1.882 -6.277 -7.059 673 1HG2 VAL 90 21HG VAL 90 -0.659 -3.584 -7.662 674 2HG2 VAL 90 22HG VAL 90 -0.303 -5.287 -7.975 675 3HG2 VAL 90 23HG VAL 90 0.650 -4.025 -8.754 676 H ILE 91 H ILE 91 0.454 -5.985 -3.389 677 HA ILE 91 HA ILE 91 2.605 -4.536 -2.051 678 HB ILE 91 HB ILE 91 0.303 -6.243 -1.083 679 1HG1 ILE 91 11HG ILE 91 0.914 -3.350 -0.581 680 2HG1 ILE 91 12HG ILE 91 -0.183 -3.907 -1.835 681 1HG2 ILE 91 21HG ILE 91 0.997 -5.755 1.235 682 2HG2 ILE 91 22HG ILE 91 2.436 -4.949 0.626 683 3HG2 ILE 91 23HG ILE 91 2.228 -6.679 0.375 684 1HD1 ILE 91 11HD ILE 91 -1.541 -4.916 -0.194 685 2HD1 ILE 91 12HD ILE 91 -1.323 -3.153 0.036 686 3HD1 ILE 91 13HD ILE 91 -0.459 -4.306 1.083 687 H GLY 92 H GLY 92 4.159 -5.873 -0.998 688 1HA GLY 92 1HA GLY 92 4.168 -8.568 -2.079 689 2HA GLY 92 2HA GLY 92 5.650 -7.626 -2.049 690 H ARG 93 H ARG 93 5.197 -10.088 -0.816 691 HA ARG 93 HA ARG 93 5.385 -9.362 2.015 692 1HB ARG 93 1HB ARG 93 3.367 -10.696 1.549 693 2HB ARG 93 2HB ARG 93 4.356 -11.938 0.807 694 1HG ARG 93 1HG ARG 93 4.759 -11.185 3.678 695 2HG ARG 93 2HG ARG 93 3.472 -12.288 3.204 696 1HD ARG 93 1HD ARG 93 6.395 -12.632 2.561 697 2HD ARG 93 2HD ARG 93 5.545 -13.437 3.873 698 HE ARG 93 HE ARG 93 4.055 -14.284 2.003 699 1HH1 ARG 93 11HH ARG 93 7.607 -13.820 1.547 700 2HH1 ARG 93 12HH ARG 93 7.669 -14.920 0.273 701 1HH2 ARG 93 21HH ARG 93 4.241 -15.784 0.256 702 2HH2 ARG 93 22HH ARG 93 5.742 -16.068 -0.473 703 H GLU 94 H GLU 94 7.078 -9.901 3.102 704 HA GLU 94 HA GLU 94 9.323 -10.851 1.621 705 1HB GLU 94 1HB GLU 94 10.597 -10.390 3.713 706 2HB GLU 94 2HB GLU 94 9.727 -9.002 3.081 707 1HG GLU 94 1HG GLU 94 7.962 -9.422 4.779 708 2HG GLU 94 2HG GLU 94 8.968 -10.713 5.433 Start of MODEL 4 1 1H GLY 1 1H GLY 1 15.672 -9.974 2.258 2 2H GLY 1 2H GLY 1 15.420 -10.017 3.932 3 3H GLY 1 3H GLY 1 14.193 -9.505 2.891 4 1HA GLY 1 1HA GLY 1 15.358 -12.221 2.954 5 2HA GLY 1 2HA GLY 1 13.787 -11.774 3.615 6 H HIS 2 H HIS 2 13.724 -13.724 1.819 7 HA HIS 2 HA HIS 2 13.442 -12.867 -0.888 8 1HB HIS 2 1HB HIS 2 12.372 -15.310 0.564 9 2HB HIS 2 2HB HIS 2 12.233 -15.068 -1.167 10 HD1 HIS 2 HD1 HIS 2 14.488 -16.454 1.367 11 HD2 HIS 2 HD2 HIS 2 14.785 -15.008 -2.511 12 HE1 HIS 2 HE1 HIS 2 16.708 -17.250 0.494 13 H MET 3 H MET 3 11.652 -12.039 -1.887 14 HA MET 3 HA MET 3 9.243 -11.837 -0.277 15 1HB MET 3 1HB MET 3 10.417 -9.842 0.294 16 2HB MET 3 2HB MET 3 10.775 -9.512 -1.395 17 1HG MET 3 1HG MET 3 8.481 -9.012 -1.845 18 2HG MET 3 2HG MET 3 7.997 -9.539 -0.237 19 1HE MET 3 1HE MET 3 10.099 -6.884 -2.274 20 2HE MET 3 2HE MET 3 11.248 -7.446 -1.060 21 3HE MET 3 3HE MET 3 10.620 -5.805 -0.980 22 H GLU 4 H GLU 4 7.449 -12.008 -1.346 23 HA GLU 4 HA GLU 4 7.505 -12.192 -4.268 24 1HB GLU 4 1HB GLU 4 6.616 -14.105 -2.886 25 2HB GLU 4 2HB GLU 4 5.435 -12.935 -2.266 26 1HG GLU 4 1HG GLU 4 4.472 -12.667 -4.481 27 2HG GLU 4 2HG GLU 4 5.688 -13.729 -5.171 28 H LEU 5 H LEU 5 6.781 -10.415 -5.275 29 HA LEU 5 HA LEU 5 5.120 -8.522 -3.846 30 1HB LEU 5 1HB LEU 5 6.260 -8.415 -6.643 31 2HB LEU 5 2HB LEU 5 5.418 -7.112 -5.833 32 HG LEU 5 HG LEU 5 7.628 -6.501 -5.720 33 1HD1 LEU 5 11HD LEU 5 8.300 -6.548 -3.424 34 2HD1 LEU 5 12HD LEU 5 7.192 -7.883 -3.143 35 3HD1 LEU 5 13HD LEU 5 6.550 -6.288 -3.576 36 1HD2 LEU 5 21HD LEU 5 9.510 -7.928 -5.033 37 2HD2 LEU 5 22HD LEU 5 8.702 -8.530 -6.480 38 3HD2 LEU 5 23HD LEU 5 8.405 -9.300 -4.921 39 H PHE 6 H PHE 6 2.929 -8.622 -4.022 40 HA PHE 6 HA PHE 6 1.867 -9.891 -6.400 41 1HB PHE 6 1HB PHE 6 0.184 -11.017 -4.866 42 2HB PHE 6 2HB PHE 6 1.779 -11.752 -4.979 43 HD1 PHE 6 HD1 PHE 6 -0.413 -9.568 -2.969 44 HD2 PHE 6 HD2 PHE 6 2.996 -12.071 -2.994 45 HE1 PHE 6 HE1 PHE 6 -0.343 -9.465 -0.514 46 HE2 PHE 6 HE2 PHE 6 3.098 -11.986 -0.557 47 HZ PHE 6 HZ PHE 6 1.429 -10.674 0.707 48 HA PRO 7 HA PRO 7 -1.144 -6.682 -6.112 49 1HB PRO 7 1HB PRO 7 -2.941 -7.627 -7.820 50 2HB PRO 7 2HB PRO 7 -1.404 -6.946 -8.350 51 1HG PRO 7 1HG PRO 7 -2.222 -9.820 -8.104 52 2HG PRO 7 2HG PRO 7 -1.199 -9.061 -9.345 53 1HD PRO 7 1HD PRO 7 -0.295 -10.511 -7.168 54 2HD PRO 7 2HD PRO 7 0.666 -9.312 -8.062 55 H VAL 8 H VAL 8 -2.505 -6.429 -4.518 56 HA VAL 8 HA VAL 8 -4.362 -8.557 -3.918 57 HB VAL 8 HB VAL 8 -3.720 -6.109 -2.249 58 1HG1 VAL 8 11HG VAL 8 -5.354 -8.544 -1.555 59 2HG1 VAL 8 12HG VAL 8 -5.941 -6.904 -1.790 60 3HG1 VAL 8 13HG VAL 8 -4.886 -7.276 -0.425 61 1HG2 VAL 8 21HG VAL 8 -2.799 -8.943 -1.880 62 2HG2 VAL 8 22HG VAL 8 -2.501 -7.604 -0.761 63 3HG2 VAL 8 23HG VAL 8 -1.811 -7.572 -2.397 64 H GLU 9 H GLU 9 -6.104 -8.200 -5.171 65 HA GLU 9 HA GLU 9 -6.889 -5.462 -5.723 66 1HB GLU 9 1HB GLU 9 -6.877 -7.181 -7.543 67 2HB GLU 9 2HB GLU 9 -8.168 -8.022 -6.699 68 1HG GLU 9 1HG GLU 9 -9.611 -6.062 -6.949 69 2HG GLU 9 2HG GLU 9 -8.308 -5.227 -7.790 70 H LEU 10 H LEU 10 -7.940 -4.520 -4.138 71 HA LEU 10 HA LEU 10 -9.661 -6.128 -2.385 72 1HB LEU 10 1HB LEU 10 -7.725 -4.280 -1.880 73 2HB LEU 10 2HB LEU 10 -9.147 -3.259 -1.939 74 HG LEU 10 HG LEU 10 -8.676 -3.765 0.331 75 1HD1 LEU 10 11HD LEU 10 -10.996 -5.445 -0.554 76 2HD1 LEU 10 12HD LEU 10 -11.032 -3.732 -0.156 77 3HD1 LEU 10 13HD LEU 10 -10.687 -4.924 1.098 78 1HD2 LEU 10 21HD LEU 10 -7.274 -5.699 -0.007 79 2HD2 LEU 10 22HD LEU 10 -8.685 -6.674 -0.433 80 3HD2 LEU 10 23HD LEU 10 -8.514 -6.027 1.199 81 H GLU 11 H GLU 11 -11.868 -5.539 -2.282 82 HA GLU 11 HA GLU 11 -12.623 -3.390 -4.097 83 1HB GLU 11 1HB GLU 11 -13.413 -5.630 -4.825 84 2HB GLU 11 2HB GLU 11 -14.305 -5.775 -3.317 85 1HG GLU 11 1HG GLU 11 -15.658 -3.853 -3.908 86 2HG GLU 11 2HG GLU 11 -14.729 -3.649 -5.390 87 H LYS 12 H LYS 12 -12.598 -1.778 -2.734 88 HA LYS 12 HA LYS 12 -14.026 -1.943 -0.257 89 1HB LYS 12 1HB LYS 12 -12.043 -0.152 -1.447 90 2HB LYS 12 2HB LYS 12 -13.141 0.625 -0.337 91 1HG LYS 12 1HG LYS 12 -11.271 -1.691 0.179 92 2HG LYS 12 2HG LYS 12 -11.139 -0.057 0.818 93 1HD LYS 12 1HD LYS 12 -13.704 -1.141 1.460 94 2HD LYS 12 2HD LYS 12 -12.460 -2.295 1.984 95 1HE LYS 12 1HE LYS 12 -12.920 -0.981 3.841 96 2HE LYS 12 2HE LYS 12 -11.468 -0.308 3.254 97 1HZ LYS 12 1HZ LYS 12 -14.183 0.856 2.681 98 2HZ LYS 12 2HZ LYS 12 -12.792 1.514 2.057 99 3HZ LYS 12 3HZ LYS 12 -13.073 1.545 3.706 100 H ASP 13 H ASP 13 -14.868 0.512 0.104 101 HA ASP 13 HA ASP 13 -17.366 0.682 -1.249 102 1HB ASP 13 1HB ASP 13 -16.070 2.670 0.620 103 2HB ASP 13 2HB ASP 13 -17.785 2.390 0.375 104 H GLU 14 H GLU 14 -18.000 2.854 -2.185 105 HA GLU 14 HA GLU 14 -16.099 3.761 -4.105 106 1HB GLU 14 1HB GLU 14 -17.774 5.502 -4.668 107 2HB GLU 14 2HB GLU 14 -18.483 3.897 -4.597 108 1HG GLU 14 1HG GLU 14 -19.405 4.388 -2.393 109 2HG GLU 14 2HG GLU 14 -18.649 5.977 -2.430 110 H ASP 15 H ASP 15 -16.775 4.552 -0.917 111 HA ASP 15 HA ASP 15 -15.775 7.195 -0.648 112 1HB ASP 15 1HB ASP 15 -17.140 6.044 1.047 113 2HB ASP 15 2HB ASP 15 -15.827 4.921 1.336 114 H GLY 16 H GLY 16 -14.331 4.030 -0.692 115 1HA GLY 16 1HA GLY 16 -12.142 3.922 -1.683 116 2HA GLY 16 2HA GLY 16 -11.698 5.306 -0.699 117 H LEU 17 H LEU 17 -10.367 4.688 0.819 118 HA LEU 17 HA LEU 17 -10.691 1.963 1.895 119 1HB LEU 17 1HB LEU 17 -8.204 3.609 2.186 120 2HB LEU 17 2HB LEU 17 -8.464 1.880 2.340 121 HG LEU 17 HG LEU 17 -8.567 3.405 -0.176 122 1HD1 LEU 17 11HD LEU 17 -6.421 1.662 1.008 123 2HD1 LEU 17 12HD LEU 17 -6.329 3.390 0.646 124 3HD1 LEU 17 13HD LEU 17 -6.432 2.217 -0.662 125 1HD2 LEU 17 21HD LEU 17 -9.963 1.451 -0.320 126 2HD2 LEU 17 22HD LEU 17 -8.698 0.447 0.385 127 3HD2 LEU 17 23HD LEU 17 -8.475 1.145 -1.219 128 H GLY 18 H GLY 18 -9.394 5.088 2.873 129 1HA GLY 18 1HA GLY 18 -9.733 6.244 4.830 130 2HA GLY 18 2HA GLY 18 -10.702 4.894 5.435 131 H ILE 19 H ILE 19 -7.617 4.235 3.980 132 HA ILE 19 HA ILE 19 -6.684 3.253 6.583 133 HB ILE 19 HB ILE 19 -4.945 2.038 5.492 134 1HG1 ILE 19 11HG ILE 19 -5.701 3.398 2.909 135 2HG1 ILE 19 12HG ILE 19 -4.293 3.788 3.895 136 1HG2 ILE 19 21HG ILE 19 -6.191 0.657 3.857 137 2HG2 ILE 19 22HG ILE 19 -7.462 1.894 3.897 138 3HG2 ILE 19 23HG ILE 19 -7.112 0.982 5.333 139 1HD1 ILE 19 11HD ILE 19 -3.679 2.357 2.013 140 2HD1 ILE 19 12HD ILE 19 -4.810 1.131 2.578 141 3HD1 ILE 19 13HD ILE 19 -3.401 1.547 3.556 142 H SER 20 H SER 20 -4.144 3.420 6.753 143 HA SER 20 HA SER 20 -3.297 6.157 6.252 144 1HB SER 20 1HB SER 20 -3.464 4.784 8.941 145 2HB SER 20 2HB SER 20 -2.605 6.296 8.707 146 HG SER 20 HG SER 20 -4.645 7.044 7.802 147 H ILE 21 H ILE 21 -1.053 6.382 6.229 148 HA ILE 21 HA ILE 21 0.468 3.859 6.143 149 HB ILE 21 HB ILE 21 1.711 4.732 4.229 150 1HG1 ILE 21 11HG ILE 21 0.278 6.652 2.955 151 2HG1 ILE 21 12HG ILE 21 -0.051 7.089 4.609 152 1HG2 ILE 21 21HG ILE 21 -1.251 4.535 3.731 153 2HG2 ILE 21 22HG ILE 21 -0.093 3.205 3.786 154 3HG2 ILE 21 23HG ILE 21 -0.002 4.397 2.490 155 1HD1 ILE 21 11HD ILE 21 2.716 6.904 3.384 156 2HD1 ILE 21 12HD ILE 21 2.368 7.307 5.049 157 3HD1 ILE 21 13HD ILE 21 1.858 8.380 3.768 158 H ILE 22 H ILE 22 2.738 4.166 6.407 159 HA ILE 22 HA ILE 22 3.426 6.719 7.542 160 HB ILE 22 HB ILE 22 3.137 5.328 9.375 161 1HG1 ILE 22 11HG ILE 22 6.116 5.644 8.938 162 2HG1 ILE 22 12HG ILE 22 5.022 6.867 9.563 163 1HG2 ILE 22 21HG ILE 22 4.521 3.244 9.766 164 2HG2 ILE 22 22HG ILE 22 4.892 3.309 8.032 165 3HG2 ILE 22 23HG ILE 22 3.217 3.146 8.593 166 1HD1 ILE 22 11HD ILE 22 6.329 5.876 11.343 167 2HD1 ILE 22 12HD ILE 22 5.739 4.274 10.914 168 3HD1 ILE 22 13HD ILE 22 4.621 5.485 11.545 169 H GLY 23 H GLY 23 5.416 7.546 6.970 170 1HA GLY 23 1HA GLY 23 6.701 6.062 4.834 171 2HA GLY 23 2HA GLY 23 6.850 7.806 5.092 172 H MET 24 H MET 24 8.140 4.777 5.538 173 HA MET 24 HA MET 24 10.111 5.825 7.469 174 1HB MET 24 1HB MET 24 9.245 2.959 7.038 175 2HB MET 24 2HB MET 24 10.516 3.470 8.127 176 1HG MET 24 1HG MET 24 7.592 4.127 8.351 177 2HG MET 24 2HG MET 24 8.488 2.971 9.340 178 1HE MET 24 1HE MET 24 10.454 3.703 11.036 179 2HE MET 24 2HE MET 24 10.937 5.384 11.273 180 3HE MET 24 3HE MET 24 11.258 4.589 9.737 181 H GLY 25 H GLY 25 11.514 6.599 5.954 182 1HA GLY 25 1HA GLY 25 12.172 5.419 3.536 183 2HA GLY 25 2HA GLY 25 13.247 6.489 4.421 184 H VAL 26 H VAL 26 12.747 3.415 3.275 185 HA VAL 26 HA VAL 26 14.981 2.346 4.787 186 HB VAL 26 HB VAL 26 12.705 1.632 5.681 187 1HG1 VAL 26 11HG VAL 26 11.475 1.416 3.659 188 2HG1 VAL 26 12HG VAL 26 11.478 -0.124 4.514 189 3HG1 VAL 26 13HG VAL 26 12.519 0.108 3.106 190 1HG2 VAL 26 21HG VAL 26 14.562 -0.539 4.714 191 2HG2 VAL 26 22HG VAL 26 13.321 -0.747 5.947 192 3HG2 VAL 26 23HG VAL 26 14.675 0.349 6.237 193 H GLY 27 H GLY 27 15.896 0.481 3.574 194 1HA GLY 27 1HA GLY 27 15.788 -0.814 1.530 195 2HA GLY 27 2HA GLY 27 15.236 0.648 0.720 196 H ALA 28 H ALA 28 17.352 1.890 2.721 197 HA ALA 28 HA ALA 28 19.370 2.076 0.708 198 1HB ALA 28 1HB ALA 28 20.536 3.567 2.254 199 2HB ALA 28 2HB ALA 28 19.436 3.109 3.552 200 3HB ALA 28 3HB ALA 28 18.830 4.002 2.158 201 H ASP 29 H ASP 29 19.059 0.526 3.812 202 HA ASP 29 HA ASP 29 21.698 -0.610 3.837 203 1HB ASP 29 1HB ASP 29 20.301 -0.307 5.897 204 2HB ASP 29 2HB ASP 29 19.237 -1.578 5.320 205 H ALA 30 H ALA 30 18.594 -1.541 2.692 206 HA ALA 30 HA ALA 30 19.210 -4.191 1.937 207 1HB ALA 30 1HB ALA 30 17.134 -2.339 0.770 208 2HB ALA 30 2HB ALA 30 16.904 -3.370 2.182 209 3HB ALA 30 3HB ALA 30 17.177 -4.091 0.595 210 H GLY 31 H GLY 31 19.746 -1.094 0.454 211 1HA GLY 31 1HA GLY 31 21.356 -0.649 -1.174 212 2HA GLY 31 2HA GLY 31 21.396 -2.363 -1.562 213 H LEU 32 H LEU 32 18.378 -0.785 -1.344 214 HA LEU 32 HA LEU 32 18.216 -0.797 -4.287 215 1HB LEU 32 1HB LEU 32 16.067 -1.384 -2.281 216 2HB LEU 32 2HB LEU 32 15.717 -1.050 -3.961 217 HG LEU 32 HG LEU 32 15.587 -3.350 -3.738 218 1HD1 LEU 32 11HD LEU 32 17.343 -4.282 -5.119 219 2HD1 LEU 32 12HD LEU 32 18.305 -2.835 -4.865 220 3HD1 LEU 32 13HD LEU 32 16.766 -2.726 -5.721 221 1HD2 LEU 32 21HD LEU 32 17.335 -4.788 -2.735 222 2HD2 LEU 32 22HD LEU 32 16.605 -3.675 -1.584 223 3HD2 LEU 32 23HD LEU 32 18.204 -3.334 -2.243 224 H GLU 33 H GLU 33 17.381 0.861 -1.341 225 HA GLU 33 HA GLU 33 16.342 2.759 -0.843 226 1HB GLU 33 1HB GLU 33 17.864 3.718 -3.269 227 2HB GLU 33 2HB GLU 33 17.007 4.792 -2.176 228 1HG GLU 33 1HG GLU 33 18.415 4.008 -0.326 229 2HG GLU 33 2HG GLU 33 19.294 2.983 -1.462 230 H LYS 34 H LYS 34 14.348 2.085 -1.022 231 HA LYS 34 HA LYS 34 12.895 2.857 -3.444 232 1HB LYS 34 1HB LYS 34 11.511 0.819 -3.181 233 2HB LYS 34 2HB LYS 34 13.196 0.435 -3.436 234 1HG LYS 34 1HG LYS 34 13.517 -0.147 -1.136 235 2HG LYS 34 2HG LYS 34 11.932 0.486 -0.708 236 1HD LYS 34 1HD LYS 34 11.933 -1.977 -0.822 237 2HD LYS 34 2HD LYS 34 10.845 -1.254 -1.999 238 1HE LYS 34 1HE LYS 34 12.438 -1.578 -3.751 239 2HE LYS 34 2HE LYS 34 13.640 -2.215 -2.618 240 1HZ LYS 34 1HZ LYS 34 11.000 -3.441 -3.181 241 2HZ LYS 34 2HZ LYS 34 12.259 -4.124 -2.254 242 3HZ LYS 34 3HZ LYS 34 12.448 -3.903 -3.906 243 H LEU 35 H LEU 35 10.455 1.956 -2.280 244 HA LEU 35 HA LEU 35 9.711 4.225 -0.735 245 1HB LEU 35 1HB LEU 35 7.537 3.195 -0.790 246 2HB LEU 35 2HB LEU 35 8.260 3.076 -2.382 247 HG LEU 35 HG LEU 35 9.031 0.740 -1.175 248 1HD1 LEU 35 11HD LEU 35 7.008 -0.301 -0.312 249 2HD1 LEU 35 12HD LEU 35 6.230 1.286 -0.274 250 3HD1 LEU 35 13HD LEU 35 7.663 0.974 0.704 251 1HD2 LEU 35 21HD LEU 35 8.355 0.877 -3.434 252 2HD2 LEU 35 22HD LEU 35 6.677 1.218 -2.982 253 3HD2 LEU 35 23HD LEU 35 7.406 -0.359 -2.629 254 H GLY 36 H GLY 36 9.164 4.196 1.466 255 1HA GLY 36 1HA GLY 36 9.560 1.666 2.875 256 2HA GLY 36 2HA GLY 36 10.129 3.214 3.522 257 H ILE 37 H ILE 37 7.211 2.662 1.750 258 HA ILE 37 HA ILE 37 5.777 3.989 3.857 259 HB ILE 37 HB ILE 37 4.794 3.045 1.169 260 1HG1 ILE 37 11HG ILE 37 6.659 4.732 1.196 261 2HG1 ILE 37 12HG ILE 37 5.191 5.295 0.346 262 1HG2 ILE 37 21HG ILE 37 2.994 3.298 2.726 263 2HG2 ILE 37 22HG ILE 37 2.951 4.673 1.613 264 3HG2 ILE 37 23HG ILE 37 3.599 4.859 3.254 265 1HD1 ILE 37 11HD ILE 37 4.715 6.514 2.518 266 2HD1 ILE 37 12HD ILE 37 6.116 7.068 1.602 267 3HD1 ILE 37 13HD ILE 37 6.345 6.039 3.012 268 H PHE 38 H PHE 38 5.381 2.703 5.444 269 HA PHE 38 HA PHE 38 4.306 0.042 4.966 270 1HB PHE 38 1HB PHE 38 5.193 1.428 7.481 271 2HB PHE 38 2HB PHE 38 4.444 -0.170 7.452 272 HD1 PHE 38 HD1 PHE 38 5.609 -2.085 6.528 273 HD2 PHE 38 HD2 PHE 38 7.486 1.721 6.768 274 HE1 PHE 38 HE1 PHE 38 7.782 -3.152 6.153 275 HE2 PHE 38 HE2 PHE 38 9.684 0.664 6.396 276 HZ PHE 38 HZ PHE 38 9.837 -1.775 6.089 277 H VAL 39 H VAL 39 2.424 -0.591 6.144 278 HA VAL 39 HA VAL 39 0.436 1.471 5.935 279 HB VAL 39 HB VAL 39 0.145 -1.450 6.706 280 1HG1 VAL 39 11HG VAL 39 -2.197 -1.139 6.149 281 2HG1 VAL 39 12HG VAL 39 -1.909 0.572 5.827 282 3HG1 VAL 39 13HG VAL 39 -1.719 -0.065 7.465 283 1HG2 VAL 39 21HG VAL 39 -0.621 -1.778 4.391 284 2HG2 VAL 39 22HG VAL 39 1.047 -1.202 4.452 285 3HG2 VAL 39 23HG VAL 39 -0.248 -0.091 4.037 286 H LYS 40 H LYS 40 -0.407 2.537 7.574 287 HA LYS 40 HA LYS 40 0.676 2.123 10.207 288 1HB LYS 40 1HB LYS 40 -0.866 4.237 8.873 289 2HB LYS 40 2HB LYS 40 -1.084 4.129 10.615 290 1HG LYS 40 1HG LYS 40 1.408 4.499 9.056 291 2HG LYS 40 2HG LYS 40 0.570 5.752 9.979 292 1HD LYS 40 1HD LYS 40 2.001 3.306 11.093 293 2HD LYS 40 2HD LYS 40 2.473 4.982 11.282 294 1HE LYS 40 1HE LYS 40 0.528 5.461 12.595 295 2HE LYS 40 2HE LYS 40 -0.098 3.837 12.339 296 1HZ LYS 40 1HZ LYS 40 1.833 2.954 13.492 297 2HZ LYS 40 2HZ LYS 40 0.940 3.985 14.478 298 3HZ LYS 40 3HZ LYS 40 2.397 4.509 13.812 299 H THR 41 H THR 41 -2.421 2.424 8.647 300 HA THR 41 HA THR 41 -3.750 0.678 10.608 301 HB THR 41 HB THR 41 -5.168 3.008 9.622 302 HG1 THR 41 HG1 THR 41 -4.235 4.224 11.583 303 1HG2 THR 41 21HG THR 41 -6.114 3.027 11.897 304 2HG2 THR 41 22HG THR 41 -5.011 1.724 12.339 305 3HG2 THR 41 23HG THR 41 -6.263 1.450 11.110 306 H VAL 42 H VAL 42 -5.966 -0.015 9.567 307 HA VAL 42 HA VAL 42 -5.907 0.420 6.738 308 HB VAL 42 HB VAL 42 -6.356 -2.326 7.969 309 1HG1 VAL 42 11HG VAL 42 -7.797 -1.972 6.121 310 2HG1 VAL 42 12HG VAL 42 -6.473 -3.016 5.543 311 3HG1 VAL 42 13HG VAL 42 -6.497 -1.269 5.182 312 1HG2 VAL 42 21HG VAL 42 -4.398 -3.011 6.731 313 2HG2 VAL 42 22HG VAL 42 -4.016 -1.704 7.872 314 3HG2 VAL 42 23HG VAL 42 -4.214 -1.349 6.148 315 H THR 43 H THR 43 -7.511 1.728 6.992 316 HA THR 43 HA THR 43 -9.700 2.515 7.266 317 HB THR 43 HB THR 43 -9.811 -0.411 6.731 318 HG1 THR 43 HG1 THR 43 -10.106 1.720 4.942 319 1HG2 THR 43 21HG THR 43 -12.039 -0.129 5.703 320 2HG2 THR 43 22HG THR 43 -12.035 1.563 6.270 321 3HG2 THR 43 23HG THR 43 -11.996 0.225 7.439 322 H GLU 44 H GLU 44 -11.846 1.810 8.589 323 HA GLU 44 HA GLU 44 -11.306 0.833 11.217 324 1HB GLU 44 1HB GLU 44 -13.769 0.987 11.385 325 2HB GLU 44 2HB GLU 44 -13.080 2.480 10.760 326 1HG GLU 44 1HG GLU 44 -13.650 1.782 8.506 327 2HG GLU 44 2HG GLU 44 -14.352 0.302 9.158 328 H GLY 45 H GLY 45 -13.705 -0.998 11.163 329 1HA GLY 45 1HA GLY 45 -12.405 -3.082 9.640 330 2HA GLY 45 2HA GLY 45 -13.601 -3.410 10.941 331 H GLY 46 H GLY 46 -13.229 -1.592 7.995 332 1HA GLY 46 1HA GLY 46 -15.795 -2.497 7.054 333 2HA GLY 46 2HA GLY 46 -14.767 -1.264 6.306 334 H ALA 47 H ALA 47 -15.026 -2.342 4.448 335 HA ALA 47 HA ALA 47 -14.622 -5.080 3.987 336 1HB ALA 47 1HB ALA 47 -14.751 -4.695 1.632 337 2HB ALA 47 2HB ALA 47 -14.346 -2.996 1.841 338 3HB ALA 47 3HB ALA 47 -15.876 -3.607 2.444 339 H ALA 48 H ALA 48 -12.188 -2.769 4.389 340 HA ALA 48 HA ALA 48 -10.105 -4.073 2.834 341 1HB ALA 48 1HB ALA 48 -8.593 -2.576 4.043 342 2HB ALA 48 2HB ALA 48 -9.923 -2.075 5.091 343 3HB ALA 48 3HB ALA 48 -9.959 -1.695 3.367 344 H GLN 49 H GLN 49 -10.531 -3.673 6.347 345 HA GLN 49 HA GLN 49 -8.890 -5.900 6.878 346 1HB GLN 49 1HB GLN 49 -10.751 -4.334 8.619 347 2HB GLN 49 2HB GLN 49 -9.803 -5.691 9.233 348 1HG GLN 49 1HG GLN 49 -7.769 -4.468 8.397 349 2HG GLN 49 2HG GLN 49 -8.840 -3.093 8.105 350 1HE2 GLN 49 21HE GLN 49 -9.656 -1.975 9.842 351 2HE2 GLN 49 22HE GLN 49 -9.093 -2.184 11.459 352 H ARG 50 H ARG 50 -12.303 -5.648 6.240 353 HA ARG 50 HA ARG 50 -12.971 -8.189 7.270 354 1HB ARG 50 1HB ARG 50 -14.279 -6.682 5.017 355 2HB ARG 50 2HB ARG 50 -14.919 -8.152 5.715 356 1HG ARG 50 1HG ARG 50 -14.372 -5.679 7.245 357 2HG ARG 50 2HG ARG 50 -15.968 -6.042 6.552 358 1HD ARG 50 1HD ARG 50 -15.956 -8.103 7.987 359 2HD ARG 50 2HD ARG 50 -14.440 -7.541 8.707 360 HE ARG 50 HE ARG 50 -16.536 -5.615 8.723 361 1HH1 ARG 50 11HH ARG 50 -15.101 -8.275 10.593 362 2HH1 ARG 50 12HH ARG 50 -15.768 -7.750 12.066 363 1HH2 ARG 50 21HH ARG 50 -17.420 -4.913 10.726 364 2HH2 ARG 50 22HH ARG 50 -17.122 -5.787 12.159 365 H ASP 51 H ASP 51 -11.766 -7.005 4.139 366 HA ASP 51 HA ASP 51 -11.969 -9.421 2.716 367 1HB ASP 51 1HB ASP 51 -11.364 -7.237 1.663 368 2HB ASP 51 2HB ASP 51 -9.760 -7.360 2.385 369 H GLY 52 H GLY 52 -9.290 -8.107 4.554 370 1HA GLY 52 1HA GLY 52 -7.934 -9.222 6.050 371 2HA GLY 52 2HA GLY 52 -8.757 -10.707 5.633 372 H ARG 53 H ARG 53 -7.861 -9.778 2.646 373 HA ARG 53 HA ARG 53 -5.575 -11.484 2.773 374 1HB ARG 53 1HB ARG 53 -7.286 -11.228 0.790 375 2HB ARG 53 2HB ARG 53 -6.313 -9.832 0.354 376 1HG ARG 53 1HG ARG 53 -5.041 -12.522 0.699 377 2HG ARG 53 2HG ARG 53 -5.851 -12.092 -0.801 378 1HD ARG 53 1HD ARG 53 -4.331 -10.324 -1.212 379 2HD ARG 53 2HD ARG 53 -3.681 -10.400 0.423 380 HE ARG 53 HE ARG 53 -2.685 -12.490 -0.134 381 1HH1 ARG 53 11HH ARG 53 -3.879 -10.717 -2.985 382 2HH1 ARG 53 12HH ARG 53 -2.743 -11.360 -4.053 383 1HH2 ARG 53 21HH ARG 53 -1.123 -13.389 -1.584 384 2HH2 ARG 53 22HH ARG 53 -1.127 -12.949 -3.236 385 H ILE 54 H ILE 54 -6.196 -8.147 2.818 386 HA ILE 54 HA ILE 54 -3.363 -7.454 2.563 387 HB ILE 54 HB ILE 54 -5.195 -6.145 1.336 388 1HG1 ILE 54 11HG ILE 54 -3.588 -4.488 3.292 389 2HG1 ILE 54 12HG ILE 54 -2.921 -5.213 1.828 390 1HG2 ILE 54 21HG ILE 54 -5.824 -5.265 4.144 391 2HG2 ILE 54 22HG ILE 54 -6.905 -6.135 3.046 392 3HG2 ILE 54 23HG ILE 54 -6.448 -4.463 2.695 393 1HD1 ILE 54 11HD ILE 54 -5.164 -3.210 1.915 394 2HD1 ILE 54 12HD ILE 54 -4.431 -3.926 0.475 395 3HD1 ILE 54 13HD ILE 54 -3.467 -2.863 1.490 396 H GLN 55 H GLN 55 -2.295 -6.372 4.397 397 HA GLN 55 HA GLN 55 -3.891 -6.457 6.812 398 1HB GLN 55 1HB GLN 55 -1.102 -7.565 6.543 399 2HB GLN 55 2HB GLN 55 -1.921 -7.323 8.077 400 1HG GLN 55 1HG GLN 55 -3.664 -8.897 7.381 401 2HG GLN 55 2HG GLN 55 -2.805 -9.157 5.863 402 1HE2 GLN 55 21HE GLN 55 -0.879 -10.269 5.891 403 2HE2 GLN 55 22HE GLN 55 -0.388 -11.255 7.199 404 H VAL 56 H VAL 56 -2.701 -5.403 8.666 405 HA VAL 56 HA VAL 56 -1.974 -2.710 7.881 406 HB VAL 56 HB VAL 56 -3.504 -3.424 9.809 407 1HG1 VAL 56 11HG VAL 56 -0.896 -4.004 11.184 408 2HG1 VAL 56 12HG VAL 56 -2.192 -5.135 10.828 409 3HG1 VAL 56 13HG VAL 56 -2.453 -3.838 11.996 410 1HG2 VAL 56 21HG VAL 56 -2.834 -1.106 9.580 411 2HG2 VAL 56 22HG VAL 56 -1.300 -1.443 10.364 412 3HG2 VAL 56 23HG VAL 56 -2.800 -1.553 11.280 413 H ASN 57 H ASN 57 -0.318 -5.500 8.143 414 HA ASN 57 HA ASN 57 2.130 -4.283 9.239 415 1HB ASN 57 1HB ASN 57 1.263 -6.440 10.254 416 2HB ASN 57 2HB ASN 57 1.544 -7.222 8.709 417 1HD2 ASN 57 21HD ASN 57 3.021 -5.778 11.505 418 2HD2 ASN 57 22HD ASN 57 4.591 -6.471 11.293 419 H ASP 58 H ASP 58 0.772 -4.129 6.521 420 HA ASP 58 HA ASP 58 2.826 -5.317 4.855 421 1HB ASP 58 1HB ASP 58 0.174 -4.087 4.149 422 2HB ASP 58 2HB ASP 58 1.414 -4.467 2.967 423 H GLN 59 H GLN 59 3.182 -3.951 2.835 424 HA GLN 59 HA GLN 59 3.853 -1.218 3.531 425 1HB GLN 59 1HB GLN 59 5.830 -2.711 3.915 426 2HB GLN 59 2HB GLN 59 5.674 -3.260 2.250 427 1HG GLN 59 1HG GLN 59 6.180 -1.033 1.455 428 2HG GLN 59 2HG GLN 59 6.250 -0.435 3.106 429 1HE2 GLN 59 21HE GLN 59 8.344 0.255 2.862 430 2HE2 GLN 59 22HE GLN 59 9.693 -0.814 2.753 431 H ILE 60 H ILE 60 3.101 0.029 1.900 432 HA ILE 60 HA ILE 60 1.728 -1.210 -0.314 433 HB ILE 60 HB ILE 60 2.296 1.735 0.127 434 1HG1 ILE 60 11HG ILE 60 1.004 0.874 2.047 435 2HG1 ILE 60 12HG ILE 60 0.006 1.891 1.012 436 1HG2 ILE 60 21HG ILE 60 1.699 1.043 -2.155 437 2HG2 ILE 60 22HG ILE 60 0.512 2.128 -1.443 438 3HG2 ILE 60 23HG ILE 60 0.190 0.387 -1.529 439 1HD1 ILE 60 11HD ILE 60 -1.224 -0.044 1.787 440 2HD1 ILE 60 12HD ILE 60 -0.010 -1.108 1.089 441 3HD1 ILE 60 13HD ILE 60 -1.011 -0.105 0.033 442 H VAL 61 H VAL 61 2.871 -1.910 -2.044 443 HA VAL 61 HA VAL 61 5.401 -0.625 -2.658 444 HB VAL 61 HB VAL 61 4.135 -3.151 -3.772 445 1HG1 VAL 61 11HG VAL 61 5.649 -2.223 -5.408 446 2HG1 VAL 61 12HG VAL 61 6.264 -3.712 -4.683 447 3HG1 VAL 61 13HG VAL 61 6.940 -2.151 -4.190 448 1HG2 VAL 61 21HG VAL 61 5.798 -4.348 -2.442 449 2HG2 VAL 61 22HG VAL 61 4.721 -3.377 -1.438 450 3HG2 VAL 61 23HG VAL 61 6.358 -2.818 -1.770 451 H GLU 62 H GLU 62 2.416 -1.514 -4.317 452 HA GLU 62 HA GLU 62 2.627 0.848 -5.986 453 1HB GLU 62 1HB GLU 62 3.930 -0.626 -7.284 454 2HB GLU 62 2HB GLU 62 2.807 -1.947 -7.105 455 1HG GLU 62 1HG GLU 62 1.188 -0.769 -8.484 456 2HG GLU 62 2HG GLU 62 2.291 0.600 -8.596 457 H VAL 63 H VAL 63 0.681 1.685 -5.624 458 HA VAL 63 HA VAL 63 -1.616 -0.105 -5.681 459 HB VAL 63 HB VAL 63 -1.188 2.573 -4.338 460 1HG1 VAL 63 11HG VAL 63 -3.605 2.784 -3.998 461 2HG1 VAL 63 12HG VAL 63 -3.881 1.407 -5.073 462 3HG1 VAL 63 13HG VAL 63 -3.169 2.904 -5.709 463 1HG2 VAL 63 21HG VAL 63 -2.181 1.402 -2.511 464 2HG2 VAL 63 22HG VAL 63 -0.889 0.396 -3.212 465 3HG2 VAL 63 23HG VAL 63 -2.567 0.033 -3.547 466 H ASP 64 H ASP 64 -2.909 -0.183 -7.254 467 HA ASP 64 HA ASP 64 -4.141 0.258 -9.066 468 1HB ASP 64 1HB ASP 64 -4.798 2.312 -7.777 469 2HB ASP 64 2HB ASP 64 -3.539 3.205 -8.612 470 H GLY 65 H GLY 65 -1.086 0.254 -9.083 471 1HA GLY 65 1HA GLY 65 0.457 -0.008 -10.793 472 2HA GLY 65 2HA GLY 65 -0.778 0.507 -11.938 473 H ILE 66 H ILE 66 -0.311 2.566 -9.216 474 HA ILE 66 HA ILE 66 0.639 4.706 -10.874 475 HB ILE 66 HB ILE 66 -0.902 4.808 -8.683 476 1HG1 ILE 66 11HG ILE 66 1.312 6.822 -9.085 477 2HG1 ILE 66 12HG ILE 66 -0.097 6.698 -10.139 478 1HG2 ILE 66 21HG ILE 66 0.366 5.403 -6.678 479 2HG2 ILE 66 22HG ILE 66 1.864 4.995 -7.521 480 3HG2 ILE 66 23HG ILE 66 0.674 3.739 -7.189 481 1HD1 ILE 66 11HD ILE 66 -0.090 7.315 -7.225 482 2HD1 ILE 66 12HD ILE 66 -1.529 7.176 -8.238 483 3HD1 ILE 66 13HD ILE 66 -0.360 8.478 -8.529 484 H SER 67 H SER 67 2.104 2.253 -9.200 485 HA SER 67 HA SER 67 4.102 1.807 -8.274 486 1HB SER 67 1HB SER 67 6.077 2.269 -9.837 487 2HB SER 67 2HB SER 67 4.724 1.393 -10.542 488 HG SER 67 HG SER 67 4.412 4.062 -10.823 489 H LEU 68 H LEU 68 4.079 2.879 -6.389 490 HA LEU 68 HA LEU 68 5.111 5.607 -6.357 491 1HB LEU 68 1HB LEU 68 4.211 5.685 -4.081 492 2HB LEU 68 2HB LEU 68 2.988 5.264 -5.264 493 HG LEU 68 HG LEU 68 3.989 2.849 -4.380 494 1HD1 LEU 68 11HD LEU 68 5.096 3.906 -2.547 495 2HD1 LEU 68 12HD LEU 68 3.745 2.937 -1.949 496 3HD1 LEU 68 13HD LEU 68 3.607 4.700 -2.042 497 1HD2 LEU 68 21HD LEU 68 1.763 2.618 -3.388 498 2HD2 LEU 68 22HD LEU 68 1.776 3.275 -5.024 499 3HD2 LEU 68 23HD LEU 68 1.497 4.354 -3.646 500 H VAL 69 H VAL 69 6.441 2.938 -6.542 501 HA VAL 69 HA VAL 69 8.188 2.557 -4.405 502 HB VAL 69 HB VAL 69 8.900 2.174 -7.331 503 1HG1 VAL 69 11HG VAL 69 10.495 0.504 -6.531 504 2HG1 VAL 69 12HG VAL 69 10.034 0.848 -4.867 505 3HG1 VAL 69 13HG VAL 69 10.838 2.089 -5.830 506 1HG2 VAL 69 21HG VAL 69 7.589 0.254 -5.402 507 2HG2 VAL 69 22HG VAL 69 8.167 -0.165 -7.013 508 3HG2 VAL 69 23HG VAL 69 6.844 0.982 -6.824 509 H GLY 70 H GLY 70 8.949 4.353 -3.518 510 1HA GLY 70 1HA GLY 70 10.940 5.668 -3.286 511 2HA GLY 70 2HA GLY 70 10.983 5.819 -5.042 512 H VAL 71 H VAL 71 8.446 6.405 -2.583 513 HA VAL 71 HA VAL 71 8.439 9.205 -3.359 514 HB VAL 71 HB VAL 71 6.025 9.357 -3.326 515 1HG1 VAL 71 11HG VAL 71 6.852 7.117 -5.146 516 2HG1 VAL 71 12HG VAL 71 6.974 8.843 -5.476 517 3HG1 VAL 71 13HG VAL 71 5.388 8.088 -5.305 518 1HG2 VAL 71 21HG VAL 71 5.955 6.383 -2.804 519 2HG2 VAL 71 22HG VAL 71 4.554 7.432 -3.086 520 3HG2 VAL 71 23HG VAL 71 5.547 7.657 -1.650 521 H THR 72 H THR 72 6.994 10.418 -1.682 522 HA THR 72 HA THR 72 7.907 9.652 0.969 523 HB THR 72 HB THR 72 6.910 11.934 1.459 524 HG1 THR 72 HG1 THR 72 7.126 12.749 -1.105 525 1HG2 THR 72 21HG THR 72 8.833 13.132 0.492 526 2HG2 THR 72 22HG THR 72 9.156 11.754 -0.568 527 3HG2 THR 72 23HG THR 72 9.307 11.584 1.183 528 H GLN 73 H GLN 73 6.357 10.308 2.690 529 HA GLN 73 HA GLN 73 4.185 8.535 2.471 530 1HB GLN 73 1HB GLN 73 3.835 8.780 4.749 531 2HB GLN 73 2HB GLN 73 5.472 9.378 4.639 532 1HG GLN 73 1HG GLN 73 3.021 11.108 4.713 533 2HG GLN 73 2HG GLN 73 3.999 10.704 6.118 534 1HE2 GLN 73 21HE GLN 73 6.528 10.895 4.657 535 2HE2 GLN 73 22HE GLN 73 6.741 12.573 4.388 536 H ASN 74 H ASN 74 4.467 11.955 1.945 537 HA ASN 74 HA ASN 74 1.674 12.424 2.032 538 1HB ASN 74 1HB ASN 74 2.108 14.626 0.986 539 2HB ASN 74 2HB ASN 74 3.177 14.337 2.353 540 1HD2 ASN 74 21HD ASN 74 5.385 14.287 1.996 541 2HD2 ASN 74 22HD ASN 74 6.070 14.576 0.444 542 H PHE 75 H PHE 75 3.883 11.541 -0.574 543 HA PHE 75 HA PHE 75 1.973 11.841 -2.645 544 1HB PHE 75 1HB PHE 75 4.463 11.534 -3.045 545 2HB PHE 75 2HB PHE 75 4.239 9.857 -2.571 546 HD1 PHE 75 HD1 PHE 75 2.934 8.253 -4.052 547 HD2 PHE 75 HD2 PHE 75 3.759 12.290 -5.235 548 HE1 PHE 75 HE1 PHE 75 2.361 7.695 -6.359 549 HE2 PHE 75 HE2 PHE 75 3.177 11.706 -7.554 550 HZ PHE 75 HZ PHE 75 2.484 9.414 -8.116 551 H ALA 76 H ALA 76 3.110 9.100 -0.752 552 HA ALA 76 HA ALA 76 1.464 7.174 -1.883 553 1HB ALA 76 1HB ALA 76 2.576 7.208 0.910 554 2HB ALA 76 2HB ALA 76 3.421 6.659 -0.545 555 3HB ALA 76 3HB ALA 76 1.992 5.793 0.025 556 H ALA 77 H ALA 77 0.927 9.141 1.050 557 HA ALA 77 HA ALA 77 -1.523 8.027 1.766 558 1HB ALA 77 1HB ALA 77 -0.627 10.882 2.138 559 2HB ALA 77 2HB ALA 77 -0.261 9.542 3.224 560 3HB ALA 77 3HB ALA 77 -1.931 10.083 3.019 561 H THR 78 H THR 78 -0.754 10.554 -0.547 562 HA THR 78 HA THR 78 -3.394 11.295 -1.136 563 HB THR 78 HB THR 78 -0.873 11.430 -2.763 564 HG1 THR 78 HG1 THR 78 -0.599 12.841 -1.181 565 1HG2 THR 78 21HG THR 78 -3.518 12.803 -3.297 566 2HG2 THR 78 22HG THR 78 -2.795 11.495 -4.237 567 3HG2 THR 78 23HG THR 78 -2.013 13.078 -4.195 568 H VAL 79 H VAL 79 -1.259 8.854 -2.586 569 HA VAL 79 HA VAL 79 -3.003 7.986 -4.616 570 HB VAL 79 HB VAL 79 -1.034 6.256 -3.082 571 1HG1 VAL 79 11HG VAL 79 -1.008 4.852 -5.103 572 2HG1 VAL 79 12HG VAL 79 -2.172 5.927 -5.867 573 3HG1 VAL 79 13HG VAL 79 -2.644 4.995 -4.461 574 1HG2 VAL 79 21HG VAL 79 0.519 6.804 -4.951 575 2HG2 VAL 79 22HG VAL 79 0.120 8.151 -3.894 576 3HG2 VAL 79 23HG VAL 79 -0.650 8.031 -5.473 577 H LEU 80 H LEU 80 -2.466 6.723 -1.358 578 HA LEU 80 HA LEU 80 -4.596 4.861 -1.447 579 1HB LEU 80 1HB LEU 80 -2.964 5.947 0.835 580 2HB LEU 80 2HB LEU 80 -4.279 4.834 1.101 581 HG LEU 80 HG LEU 80 -2.277 3.579 1.176 582 1HD1 LEU 80 11HD LEU 80 -2.570 1.946 -0.522 583 2HD1 LEU 80 12HD LEU 80 -3.415 3.100 -1.543 584 3HD1 LEU 80 13HD LEU 80 -4.151 2.568 -0.029 585 1HD2 LEU 80 21HD LEU 80 -0.775 5.120 0.015 586 2HD2 LEU 80 22HD LEU 80 -1.516 4.676 -1.524 587 3HD2 LEU 80 23HD LEU 80 -0.630 3.473 -0.587 588 H ARG 81 H ARG 81 -4.741 8.097 -1.298 589 HA ARG 81 HA ARG 81 -7.271 8.214 0.164 590 1HB ARG 81 1HB ARG 81 -5.649 9.939 0.740 591 2HB ARG 81 2HB ARG 81 -5.445 10.370 -0.942 592 1HG ARG 81 1HG ARG 81 -8.131 10.684 0.308 593 2HG ARG 81 2HG ARG 81 -6.864 11.845 0.706 594 1HD ARG 81 1HD ARG 81 -6.615 12.440 -1.615 595 2HD ARG 81 2HD ARG 81 -7.718 11.164 -2.110 596 HE ARG 81 HE ARG 81 -9.126 12.642 -0.314 597 1HH1 ARG 81 11HH ARG 81 -7.545 13.552 -3.356 598 2HH1 ARG 81 12HH ARG 81 -8.742 14.669 -3.800 599 1HH2 ARG 81 21HH ARG 81 -10.785 14.140 -0.961 600 2HH2 ARG 81 22HH ARG 81 -10.669 15.010 -2.411 601 H ASN 82 H ASN 82 -5.920 8.315 -3.001 602 HA ASN 82 HA ASN 82 -8.313 9.314 -4.265 603 1HB ASN 82 1HB ASN 82 -5.558 8.725 -5.151 604 2HB ASN 82 2HB ASN 82 -6.812 8.694 -6.386 605 1HD2 ASN 82 21HD ASN 82 -5.178 10.629 -4.015 606 2HD2 ASN 82 22HD ASN 82 -5.694 12.154 -4.655 607 H THR 83 H THR 83 -7.420 6.454 -3.098 608 HA THR 83 HA THR 83 -8.055 4.577 -5.052 609 HB THR 83 HB THR 83 -8.480 3.171 -2.962 610 HG1 THR 83 HG1 THR 83 -8.845 5.316 -1.822 611 1HG2 THR 83 21HG THR 83 -6.047 3.124 -2.460 612 2HG2 THR 83 22HG THR 83 -5.854 4.649 -3.320 613 3HG2 THR 83 23HG THR 83 -6.337 3.201 -4.195 614 H LYS 84 H LYS 84 -9.873 3.374 -5.358 615 HA LYS 84 HA LYS 84 -12.419 4.342 -4.327 616 1HB LYS 84 1HB LYS 84 -13.143 3.362 -6.778 617 2HB LYS 84 2HB LYS 84 -12.756 5.041 -6.483 618 1HG LYS 84 1HG LYS 84 -11.686 4.368 -8.491 619 2HG LYS 84 2HG LYS 84 -10.449 4.593 -7.263 620 1HD LYS 84 1HD LYS 84 -10.387 2.135 -6.961 621 2HD LYS 84 2HD LYS 84 -11.548 1.972 -8.282 622 1HE LYS 84 1HE LYS 84 -10.004 3.178 -9.783 623 2HE LYS 84 2HE LYS 84 -8.821 3.280 -8.486 624 1HZ LYS 84 1HZ LYS 84 -8.909 0.718 -8.548 625 2HZ LYS 84 2HZ LYS 84 -8.118 1.546 -9.762 626 3HZ LYS 84 3HZ LYS 84 -9.642 0.912 -10.066 627 H GLY 85 H GLY 85 -13.853 2.203 -5.634 628 1HA GLY 85 1HA GLY 85 -13.807 0.284 -3.659 629 2HA GLY 85 2HA GLY 85 -14.514 0.066 -5.246 630 H ASN 86 H ASN 86 -12.983 -0.618 -6.975 631 HA ASN 86 HA ASN 86 -11.383 -2.762 -5.921 632 1HB ASN 86 1HB ASN 86 -12.257 -2.035 -8.687 633 2HB ASN 86 2HB ASN 86 -10.887 -3.117 -8.475 634 1HD2 ASN 86 21HD ASN 86 -14.346 -2.726 -7.887 635 2HD2 ASN 86 22HD ASN 86 -14.644 -4.389 -7.570 636 H VAL 87 H VAL 87 -9.523 -2.478 -5.223 637 HA VAL 87 HA VAL 87 -7.718 -0.590 -6.586 638 HB VAL 87 HB VAL 87 -7.425 -1.437 -3.751 639 1HG1 VAL 87 11HG VAL 87 -5.514 -0.527 -4.743 640 2HG1 VAL 87 12HG VAL 87 -6.141 0.622 -3.550 641 3HG1 VAL 87 13HG VAL 87 -6.386 0.913 -5.282 642 1HG2 VAL 87 21HG VAL 87 -9.554 -0.526 -3.800 643 2HG2 VAL 87 22HG VAL 87 -9.043 0.872 -4.760 644 3HG2 VAL 87 23HG VAL 87 -8.494 0.695 -3.084 645 H ARG 88 H ARG 88 -5.911 -1.521 -7.310 646 HA ARG 88 HA ARG 88 -5.252 -4.188 -6.340 647 1HB ARG 88 1HB ARG 88 -4.371 -2.675 -8.799 648 2HB ARG 88 2HB ARG 88 -3.688 -4.222 -8.314 649 1HG ARG 88 1HG ARG 88 -5.896 -5.263 -8.492 650 2HG ARG 88 2HG ARG 88 -6.591 -3.713 -8.949 651 1HD ARG 88 1HD ARG 88 -5.290 -3.672 -10.956 652 2HD ARG 88 2HD ARG 88 -4.445 -5.157 -10.481 653 HE ARG 88 HE ARG 88 -7.196 -5.684 -10.508 654 1HH1 ARG 88 11HH ARG 88 -4.662 -4.943 -12.882 655 2HH1 ARG 88 12HH ARG 88 -5.412 -5.778 -14.144 656 1HH2 ARG 88 21HH ARG 88 -8.177 -6.843 -12.177 657 2HH2 ARG 88 22HH ARG 88 -7.486 -6.918 -13.743 658 H PHE 89 H PHE 89 -4.305 -3.961 -4.542 659 HA PHE 89 HA PHE 89 -2.157 -2.039 -4.122 660 1HB PHE 89 1HB PHE 89 -3.212 -4.229 -2.317 661 2HB PHE 89 2HB PHE 89 -2.031 -3.016 -1.888 662 HD1 PHE 89 HD1 PHE 89 -5.561 -3.684 -2.553 663 HD2 PHE 89 HD2 PHE 89 -2.694 -0.824 -1.314 664 HE1 PHE 89 HE1 PHE 89 -7.359 -2.254 -1.664 665 HE2 PHE 89 HE2 PHE 89 -4.475 0.598 -0.440 666 HZ PHE 89 HZ PHE 89 -6.808 -0.117 -0.606 667 H VAL 90 H VAL 90 -0.363 -2.738 -5.234 668 HA VAL 90 HA VAL 90 0.225 -5.559 -5.092 669 HB VAL 90 HB VAL 90 1.820 -3.356 -6.403 670 1HG1 VAL 90 11HG VAL 90 1.961 -6.358 -6.684 671 2HG1 VAL 90 12HG VAL 90 3.167 -5.315 -5.921 672 3HG1 VAL 90 13HG VAL 90 2.872 -5.208 -7.657 673 1HG2 VAL 90 21HG VAL 90 -0.147 -5.260 -7.674 674 2HG2 VAL 90 22HG VAL 90 0.875 -4.107 -8.534 675 3HG2 VAL 90 23HG VAL 90 -0.379 -3.529 -7.439 676 H ILE 91 H ILE 91 0.635 -5.836 -3.100 677 HA ILE 91 HA ILE 91 2.902 -4.486 -1.833 678 HB ILE 91 HB ILE 91 0.539 -6.043 -0.779 679 1HG1 ILE 91 11HG ILE 91 1.325 -3.176 -0.294 680 2HG1 ILE 91 12HG ILE 91 0.160 -3.653 -1.516 681 1HG2 ILE 91 21HG ILE 91 1.312 -5.652 1.465 682 2HG2 ILE 91 22HG ILE 91 2.750 -4.820 0.872 683 3HG2 ILE 91 23HG ILE 91 2.541 -6.549 0.572 684 1HD1 ILE 91 11HD ILE 91 -0.871 -2.847 0.409 685 2HD1 ILE 91 12HD ILE 91 -0.101 -4.120 1.400 686 3HD1 ILE 91 13HD ILE 91 -1.243 -4.547 0.090 687 H GLY 92 H GLY 92 4.430 -5.933 -0.780 688 1HA GLY 92 1HA GLY 92 4.263 -8.619 -1.895 689 2HA GLY 92 2HA GLY 92 5.795 -7.790 -1.790 690 H ARG 93 H ARG 93 5.069 -10.313 -0.593 691 HA ARG 93 HA ARG 93 5.516 -9.538 2.178 692 1HB ARG 93 1HB ARG 93 3.287 -10.542 2.042 693 2HB ARG 93 2HB ARG 93 3.957 -11.964 1.253 694 1HG ARG 93 1HG ARG 93 3.474 -12.461 3.570 695 2HG ARG 93 2HG ARG 93 5.215 -12.499 3.300 696 1HD ARG 93 1HD ARG 93 5.275 -10.112 4.167 697 2HD ARG 93 2HD ARG 93 3.597 -10.343 4.653 698 HE ARG 93 HE ARG 93 5.164 -12.438 5.657 699 1HH1 ARG 93 11HH ARG 93 4.476 -9.023 6.259 700 2HH1 ARG 93 12HH ARG 93 5.020 -9.012 7.865 701 1HH2 ARG 93 21HH ARG 93 5.975 -12.437 7.911 702 2HH2 ARG 93 22HH ARG 93 5.932 -11.000 8.793 703 H GLU 94 H GLU 94 7.139 -10.415 3.245 704 HA GLU 94 HA GLU 94 8.961 -12.060 1.780 705 1HB GLU 94 1HB GLU 94 10.428 -11.554 3.841 706 2HB GLU 94 2HB GLU 94 10.029 -10.215 2.777 707 1HG GLU 94 1HG GLU 94 8.240 -9.538 4.381 708 2HG GLU 94 2HG GLU 94 8.777 -10.821 5.461 Start of MODEL 5 1 1H GLY 1 1H GLY 1 9.973 -15.941 -4.130 2 2H GLY 1 2H GLY 1 11.489 -16.676 -4.210 3 3H GLY 1 3H GLY 1 10.833 -15.930 -5.592 4 1HA GLY 1 1HA GLY 1 12.530 -14.551 -4.567 5 2HA GLY 1 2HA GLY 1 10.930 -13.810 -4.466 6 H HIS 2 H HIS 2 13.123 -13.216 -2.716 7 HA HIS 2 HA HIS 2 12.420 -14.579 -0.229 8 1HB HIS 2 1HB HIS 2 14.848 -14.104 -0.955 9 2HB HIS 2 2HB HIS 2 14.525 -12.415 -0.586 10 HD1 HIS 2 HD1 HIS 2 15.192 -11.758 1.789 11 HD2 HIS 2 HD2 HIS 2 14.378 -15.823 1.430 12 HE1 HIS 2 HE1 HIS 2 15.726 -12.778 4.011 13 H MET 3 H MET 3 11.106 -12.423 -1.931 14 HA MET 3 HA MET 3 9.645 -11.213 0.231 15 1HB MET 3 1HB MET 3 11.451 -9.519 -0.352 16 2HB MET 3 2HB MET 3 10.839 -9.522 -1.999 17 1HG MET 3 1HG MET 3 8.694 -8.691 -1.228 18 2HG MET 3 2HG MET 3 9.258 -8.710 0.439 19 1HE MET 3 1HE MET 3 8.687 -6.213 0.917 20 2HE MET 3 2HE MET 3 7.928 -6.142 -0.673 21 3HE MET 3 3HE MET 3 9.060 -4.883 -0.178 22 H GLU 4 H GLU 4 7.657 -11.629 -0.299 23 HA GLU 4 HA GLU 4 7.072 -12.479 -3.015 24 1HB GLU 4 1HB GLU 4 6.225 -13.838 -1.108 25 2HB GLU 4 2HB GLU 4 5.367 -12.390 -0.559 26 1HG GLU 4 1HG GLU 4 3.995 -12.403 -2.578 27 2HG GLU 4 2HG GLU 4 4.847 -13.816 -3.154 28 H LEU 5 H LEU 5 6.835 -10.740 -4.307 29 HA LEU 5 HA LEU 5 5.192 -8.558 -3.382 30 1HB LEU 5 1HB LEU 5 6.355 -8.991 -6.154 31 2HB LEU 5 2HB LEU 5 5.617 -7.522 -5.544 32 HG LEU 5 HG LEU 5 7.847 -7.039 -5.527 33 1HD1 LEU 5 11HD LEU 5 6.812 -6.446 -3.442 34 2HD1 LEU 5 12HD LEU 5 8.532 -6.808 -3.243 35 3HD1 LEU 5 13HD LEU 5 7.321 -8.007 -2.781 36 1HD2 LEU 5 21HD LEU 5 8.469 -9.720 -4.303 37 2HD2 LEU 5 22HD LEU 5 9.643 -8.453 -4.659 38 3HD2 LEU 5 23HD LEU 5 8.768 -9.235 -5.973 39 H PHE 6 H PHE 6 3.067 -8.651 -3.527 40 HA PHE 6 HA PHE 6 1.967 -10.428 -5.513 41 1HB PHE 6 1HB PHE 6 0.325 -11.163 -3.836 42 2HB PHE 6 2HB PHE 6 1.928 -11.834 -3.614 43 HD1 PHE 6 HD1 PHE 6 3.262 -10.806 -1.674 44 HD2 PHE 6 HD2 PHE 6 -0.829 -10.027 -2.325 45 HE1 PHE 6 HE1 PHE 6 3.071 -10.072 0.641 46 HE2 PHE 6 HE2 PHE 6 -1.068 -9.261 0.023 47 HZ PHE 6 HZ PHE 6 0.894 -9.281 1.514 48 HA PRO 7 HA PRO 7 -0.945 -7.129 -6.026 49 1HB PRO 7 1HB PRO 7 -2.455 -8.302 -7.825 50 2HB PRO 7 2HB PRO 7 -0.813 -7.785 -8.211 51 1HG PRO 7 1HG PRO 7 -1.768 -10.559 -7.453 52 2HG PRO 7 2HG PRO 7 -0.685 -10.105 -8.799 53 1HD PRO 7 1HD PRO 7 0.092 -11.055 -6.380 54 2HD PRO 7 2HD PRO 7 1.103 -9.968 -7.353 55 H VAL 8 H VAL 8 -2.550 -6.728 -4.693 56 HA VAL 8 HA VAL 8 -4.484 -8.848 -4.151 57 HB VAL 8 HB VAL 8 -3.998 -6.380 -2.477 58 1HG1 VAL 8 11HG VAL 8 -5.283 -7.507 -0.746 59 2HG1 VAL 8 12HG VAL 8 -5.575 -8.854 -1.848 60 3HG1 VAL 8 13HG VAL 8 -6.217 -7.252 -2.220 61 1HG2 VAL 8 21HG VAL 8 -2.997 -9.166 -1.980 62 2HG2 VAL 8 22HG VAL 8 -2.859 -7.800 -0.857 63 3HG2 VAL 8 23HG VAL 8 -2.038 -7.755 -2.427 64 H GLU 9 H GLU 9 -6.272 -8.429 -5.363 65 HA GLU 9 HA GLU 9 -6.847 -5.629 -5.904 66 1HB GLU 9 1HB GLU 9 -6.825 -7.171 -7.869 67 2HB GLU 9 2HB GLU 9 -8.144 -8.075 -7.137 68 1HG GLU 9 1HG GLU 9 -9.582 -6.087 -7.271 69 2HG GLU 9 2HG GLU 9 -8.241 -5.190 -7.986 70 H LEU 10 H LEU 10 -7.948 -4.736 -4.393 71 HA LEU 10 HA LEU 10 -9.657 -6.332 -2.645 72 1HB LEU 10 1HB LEU 10 -7.822 -4.420 -2.215 73 2HB LEU 10 2HB LEU 10 -9.249 -3.412 -2.330 74 HG LEU 10 HG LEU 10 -8.830 -3.776 -0.040 75 1HD1 LEU 10 11HD LEU 10 -11.174 -3.925 -0.543 76 2HD1 LEU 10 12HD LEU 10 -10.760 -4.989 0.802 77 3HD1 LEU 10 13HD LEU 10 -11.024 -5.660 -0.803 78 1HD2 LEU 10 21HD LEU 10 -7.294 -5.625 -0.225 79 2HD2 LEU 10 22HD LEU 10 -8.616 -6.716 -0.632 80 3HD2 LEU 10 23HD LEU 10 -8.540 -5.978 0.968 81 H GLU 11 H GLU 11 -11.855 -5.943 -2.603 82 HA GLU 11 HA GLU 11 -12.900 -3.987 -4.509 83 1HB GLU 11 1HB GLU 11 -13.632 -6.321 -4.871 84 2HB GLU 11 2HB GLU 11 -14.222 -6.391 -3.219 85 1HG GLU 11 1HG GLU 11 -16.180 -6.002 -4.460 86 2HG GLU 11 2HG GLU 11 -15.628 -4.409 -3.886 87 H LYS 12 H LYS 12 -12.689 -2.215 -3.165 88 HA LYS 12 HA LYS 12 -13.800 -2.263 -0.535 89 1HB LYS 12 1HB LYS 12 -12.063 -0.465 -2.061 90 2HB LYS 12 2HB LYS 12 -13.085 0.328 -0.883 91 1HG LYS 12 1HG LYS 12 -11.070 -1.868 -0.414 92 2HG LYS 12 2HG LYS 12 -10.933 -0.173 0.061 93 1HD LYS 12 1HD LYS 12 -13.380 -1.215 1.116 94 2HD LYS 12 2HD LYS 12 -12.097 -2.349 1.517 95 1HE LYS 12 1HE LYS 12 -12.401 -0.839 3.318 96 2HE LYS 12 2HE LYS 12 -10.861 -0.478 2.608 97 1HZ LYS 12 1HZ LYS 12 -12.056 1.644 3.008 98 2HZ LYS 12 2HZ LYS 12 -13.408 1.039 2.254 99 3HZ LYS 12 3HZ LYS 12 -12.073 1.399 1.335 100 H ASP 13 H ASP 13 -14.721 0.076 -0.082 101 HA ASP 13 HA ASP 13 -17.382 0.081 -1.192 102 1HB ASP 13 1HB ASP 13 -17.704 1.710 0.741 103 2HB ASP 13 2HB ASP 13 -17.246 0.065 1.183 104 H GLU 14 H GLU 14 -18.182 2.625 -0.861 105 HA GLU 14 HA GLU 14 -17.071 3.878 -3.194 106 1HB GLU 14 1HB GLU 14 -18.916 5.436 -3.018 107 2HB GLU 14 2HB GLU 14 -19.467 3.765 -2.939 108 1HG GLU 14 1HG GLU 14 -19.684 3.959 -0.526 109 2HG GLU 14 2HG GLU 14 -19.126 5.628 -0.606 110 H ASP 15 H ASP 15 -16.349 4.128 0.055 111 HA ASP 15 HA ASP 15 -15.688 6.955 0.008 112 1HB ASP 15 1HB ASP 15 -16.268 6.050 2.152 113 2HB ASP 15 2HB ASP 15 -15.112 4.748 1.977 114 H GLY 16 H GLY 16 -14.232 3.926 -0.388 115 1HA GLY 16 1HA GLY 16 -12.443 3.902 -2.118 116 2HA GLY 16 2HA GLY 16 -11.737 5.247 -1.223 117 H LEU 17 H LEU 17 -10.357 4.800 0.316 118 HA LEU 17 HA LEU 17 -10.171 1.974 1.147 119 1HB LEU 17 1HB LEU 17 -8.291 2.886 -0.359 120 2HB LEU 17 2HB LEU 17 -7.916 3.910 0.991 121 HG LEU 17 HG LEU 17 -7.182 2.135 2.264 122 1HD1 LEU 17 11HD LEU 17 -8.949 0.493 1.814 123 2HD1 LEU 17 12HD LEU 17 -7.386 -0.230 1.443 124 3HD1 LEU 17 13HD LEU 17 -8.426 0.363 0.141 125 1HD2 LEU 17 21HD LEU 17 -5.743 2.921 0.502 126 2HD2 LEU 17 22HD LEU 17 -6.417 1.712 -0.593 127 3HD2 LEU 17 23HD LEU 17 -5.504 1.208 0.830 128 H GLY 18 H GLY 18 -8.986 5.150 2.138 129 1HA GLY 18 1HA GLY 18 -9.222 6.232 4.135 130 2HA GLY 18 2HA GLY 18 -10.390 5.001 4.596 131 H ILE 19 H ILE 19 -7.092 4.269 3.628 132 HA ILE 19 HA ILE 19 -6.653 3.377 6.386 133 HB ILE 19 HB ILE 19 -4.864 1.988 5.600 134 1HG1 ILE 19 11HG ILE 19 -5.351 3.137 2.838 135 2HG1 ILE 19 12HG ILE 19 -3.967 3.490 3.858 136 1HG2 ILE 19 21HG ILE 19 -6.137 0.557 3.937 137 2HG2 ILE 19 22HG ILE 19 -7.423 1.792 4.056 138 3HG2 ILE 19 23HG ILE 19 -6.911 0.923 5.465 139 1HD1 ILE 19 11HD ILE 19 -4.697 0.831 2.698 140 2HD1 ILE 19 12HD ILE 19 -3.309 1.118 3.757 141 3HD1 ILE 19 13HD ILE 19 -3.391 1.880 2.160 142 H SER 20 H SER 20 -4.246 3.483 6.993 143 HA SER 20 HA SER 20 -3.309 6.210 6.444 144 1HB SER 20 1HB SER 20 -3.166 4.606 9.003 145 2HB SER 20 2HB SER 20 -2.583 6.252 8.779 146 HG SER 20 HG SER 20 -4.911 6.569 8.053 147 H ILE 21 H ILE 21 -1.119 6.452 6.282 148 HA ILE 21 HA ILE 21 0.413 3.972 6.001 149 HB ILE 21 HB ILE 21 1.636 5.065 4.153 150 1HG1 ILE 21 11HG ILE 21 0.164 7.060 3.090 151 2HG1 ILE 21 12HG ILE 21 -0.233 7.292 4.767 152 1HG2 ILE 21 21HG ILE 21 -0.087 4.848 2.429 153 2HG2 ILE 21 22HG ILE 21 -1.325 4.827 3.685 154 3HG2 ILE 21 23HG ILE 21 -0.130 3.530 3.599 155 1HD1 ILE 21 11HD ILE 21 2.576 7.318 3.672 156 2HD1 ILE 21 12HD ILE 21 2.116 7.608 5.337 157 3HD1 ILE 21 13HD ILE 21 1.634 8.734 4.086 158 H ILE 22 H ILE 22 2.763 4.352 6.255 159 HA ILE 22 HA ILE 22 3.307 6.812 7.638 160 HB ILE 22 HB ILE 22 3.071 5.171 9.387 161 1HG1 ILE 22 11HG ILE 22 5.996 5.865 8.995 162 2HG1 ILE 22 12HG ILE 22 4.779 6.940 9.661 163 1HG2 ILE 22 21HG ILE 22 5.219 3.591 7.996 164 2HG2 ILE 22 22HG ILE 22 3.517 3.137 8.187 165 3HG2 ILE 22 23HG ILE 22 4.573 3.224 9.599 166 1HD1 ILE 22 11HD ILE 22 5.739 4.362 10.873 167 2HD1 ILE 22 12HD ILE 22 4.496 5.415 11.559 168 3HD1 ILE 22 13HD ILE 22 6.155 5.991 11.409 169 H GLY 23 H GLY 23 5.187 7.801 7.067 170 1HA GLY 23 1HA GLY 23 6.579 6.499 4.896 171 2HA GLY 23 2HA GLY 23 6.606 8.237 5.217 172 H MET 24 H MET 24 8.143 5.327 5.495 173 HA MET 24 HA MET 24 10.314 6.553 6.941 174 1HB MET 24 1HB MET 24 10.572 4.491 8.413 175 2HB MET 24 2HB MET 24 9.281 5.602 8.845 176 1HG MET 24 1HG MET 24 7.662 4.133 7.759 177 2HG MET 24 2HG MET 24 8.951 3.017 7.338 178 1HE MET 24 1HE MET 24 10.306 1.587 9.085 179 2HE MET 24 2HE MET 24 10.067 1.656 10.829 180 3HE MET 24 3HE MET 24 10.768 3.035 9.984 181 H GLY 25 H GLY 25 11.335 6.680 5.168 182 1HA GLY 25 1HA GLY 25 11.673 4.827 3.150 183 2HA GLY 25 2HA GLY 25 12.802 6.104 3.551 184 H VAL 26 H VAL 26 12.361 2.870 3.298 185 HA VAL 26 HA VAL 26 14.841 2.306 4.754 186 HB VAL 26 HB VAL 26 12.751 1.465 5.882 187 1HG1 VAL 26 11HG VAL 26 11.662 -0.547 4.964 188 2HG1 VAL 26 12HG VAL 26 12.515 -0.258 3.443 189 3HG1 VAL 26 13HG VAL 26 11.363 0.933 4.052 190 1HG2 VAL 26 21HG VAL 26 14.689 -0.666 4.978 191 2HG2 VAL 26 22HG VAL 26 13.586 -0.816 6.346 192 3HG2 VAL 26 23HG VAL 26 14.870 0.393 6.377 193 H GLY 27 H GLY 27 15.913 0.279 3.801 194 1HA GLY 27 1HA GLY 27 16.009 -1.337 2.046 195 2HA GLY 27 2HA GLY 27 15.117 -0.217 1.026 196 H ALA 28 H ALA 28 16.919 1.907 2.296 197 HA ALA 28 HA ALA 28 18.696 1.999 0.088 198 1HB ALA 28 1HB ALA 28 19.460 4.112 1.039 199 2HB ALA 28 2HB ALA 28 18.602 3.756 2.539 200 3HB ALA 28 3HB ALA 28 17.702 4.028 1.051 201 H ASP 29 H ASP 29 19.022 1.301 3.478 202 HA ASP 29 HA ASP 29 21.855 1.022 3.528 203 1HB ASP 29 1HB ASP 29 20.732 1.263 5.634 204 2HB ASP 29 2HB ASP 29 19.708 -0.132 5.318 205 H ALA 30 H ALA 30 19.240 -1.170 2.875 206 HA ALA 30 HA ALA 30 20.790 -3.524 2.687 207 1HB ALA 30 1HB ALA 30 18.852 -4.513 1.584 208 2HB ALA 30 2HB ALA 30 18.147 -2.912 1.363 209 3HB ALA 30 3HB ALA 30 18.349 -3.567 2.986 210 H GLY 31 H GLY 31 20.222 -0.907 0.485 211 1HA GLY 31 1HA GLY 31 21.796 -0.535 -1.297 212 2HA GLY 31 2HA GLY 31 21.923 -2.286 -1.454 213 H LEU 32 H LEU 32 18.828 -1.980 -1.049 214 HA LEU 32 HA LEU 32 18.324 -2.187 -3.895 215 1HB LEU 32 1HB LEU 32 16.495 -2.597 -1.538 216 2HB LEU 32 2HB LEU 32 15.951 -2.693 -3.196 217 HG LEU 32 HG LEU 32 17.605 -4.590 -3.499 218 1HD1 LEU 32 11HD LEU 32 19.040 -4.182 -1.590 219 2HD1 LEU 32 12HD LEU 32 18.325 -5.794 -1.509 220 3HD1 LEU 32 13HD LEU 32 17.693 -4.498 -0.495 221 1HD2 LEU 32 21HD LEU 32 15.357 -4.950 -1.531 222 2HD2 LEU 32 22HD LEU 32 16.126 -6.236 -2.459 223 3HD2 LEU 32 23HD LEU 32 15.224 -4.972 -3.288 224 H GLU 33 H GLU 33 17.722 -0.001 -1.300 225 HA GLU 33 HA GLU 33 16.697 1.973 -1.074 226 1HB GLU 33 1HB GLU 33 17.289 2.261 -4.024 227 2HB GLU 33 2HB GLU 33 16.842 3.580 -2.946 228 1HG GLU 33 1HG GLU 33 18.904 3.196 -1.666 229 2HG GLU 33 2HG GLU 33 19.350 1.913 -2.794 230 H LYS 34 H LYS 34 14.727 0.971 -0.554 231 HA LYS 34 HA LYS 34 12.785 0.590 -2.649 232 1HB LYS 34 1HB LYS 34 13.595 -1.046 -0.754 233 2HB LYS 34 2HB LYS 34 12.634 0.020 0.255 234 1HG LYS 34 1HG LYS 34 11.350 -1.806 -0.207 235 2HG LYS 34 2HG LYS 34 10.712 -0.464 -1.169 236 1HD LYS 34 1HD LYS 34 11.760 -1.316 -3.175 237 2HD LYS 34 2HD LYS 34 12.600 -2.564 -2.256 238 1HE LYS 34 1HE LYS 34 10.424 -3.578 -1.692 239 2HE LYS 34 2HE LYS 34 9.618 -2.346 -2.663 240 1HZ LYS 34 1HZ LYS 34 10.753 -3.156 -4.596 241 2HZ LYS 34 2HZ LYS 34 9.920 -4.416 -3.921 242 3HZ LYS 34 3HZ LYS 34 11.597 -4.306 -3.737 243 H LEU 35 H LEU 35 10.546 1.353 -1.743 244 HA LEU 35 HA LEU 35 10.647 3.955 -0.652 245 1HB LEU 35 1HB LEU 35 8.256 3.864 -0.740 246 2HB LEU 35 2HB LEU 35 8.883 3.089 -2.183 247 HG LEU 35 HG LEU 35 8.244 1.277 0.070 248 1HD1 LEU 35 11HD LEU 35 6.417 2.875 0.121 249 2HD1 LEU 35 12HD LEU 35 5.900 1.292 -0.431 250 3HD1 LEU 35 13HD LEU 35 6.128 2.602 -1.600 251 1HD2 LEU 35 21HD LEU 35 7.424 -0.124 -1.724 252 2HD2 LEU 35 22HD LEU 35 9.044 0.430 -2.133 253 3HD2 LEU 35 23HD LEU 35 7.632 1.170 -2.891 254 H GLY 36 H GLY 36 9.322 4.319 1.388 255 1HA GLY 36 1HA GLY 36 9.556 2.034 3.204 256 2HA GLY 36 2HA GLY 36 10.089 3.638 3.693 257 H ILE 37 H ILE 37 7.269 2.896 1.760 258 HA ILE 37 HA ILE 37 5.772 4.220 3.846 259 HB ILE 37 HB ILE 37 4.764 3.472 1.094 260 1HG1 ILE 37 11HG ILE 37 6.670 5.134 1.172 261 2HG1 ILE 37 12HG ILE 37 5.195 5.771 0.399 262 1HG2 ILE 37 21HG ILE 37 3.646 5.249 3.263 263 2HG2 ILE 37 22HG ILE 37 3.020 3.687 2.767 264 3HG2 ILE 37 23HG ILE 37 2.950 5.054 1.652 265 1HD1 ILE 37 11HD ILE 37 4.796 6.852 2.685 266 2HD1 ILE 37 12HD ILE 37 6.141 7.458 1.729 267 3HD1 ILE 37 13HD ILE 37 6.452 6.342 3.056 268 H PHE 38 H PHE 38 5.128 2.984 5.288 269 HA PHE 38 HA PHE 38 4.260 0.278 4.624 270 1HB PHE 38 1HB PHE 38 5.074 1.537 7.209 271 2HB PHE 38 2HB PHE 38 4.438 -0.107 7.081 272 HD1 PHE 38 HD1 PHE 38 5.700 -1.793 5.751 273 HD2 PHE 38 HD2 PHE 38 7.305 2.003 6.713 274 HE1 PHE 38 HE1 PHE 38 7.947 -2.632 5.244 275 HE2 PHE 38 HE2 PHE 38 9.569 1.193 6.216 276 HZ PHE 38 HZ PHE 38 9.886 -1.158 5.478 277 H VAL 39 H VAL 39 2.446 -0.535 5.753 278 HA VAL 39 HA VAL 39 0.288 1.339 5.719 279 HB VAL 39 HB VAL 39 0.251 -1.547 6.672 280 1HG1 VAL 39 11HG VAL 39 -2.119 -1.453 6.096 281 2HG1 VAL 39 12HG VAL 39 -1.946 0.247 5.663 282 3HG1 VAL 39 13HG VAL 39 -1.694 -0.269 7.330 283 1HG2 VAL 39 21HG VAL 39 1.152 -1.456 4.392 284 2HG2 VAL 39 22HG VAL 39 -0.206 -0.474 3.882 285 3HG2 VAL 39 23HG VAL 39 -0.473 -2.147 4.384 286 H LYS 40 H LYS 40 -0.173 2.532 7.362 287 HA LYS 40 HA LYS 40 1.094 2.101 9.924 288 1HB LYS 40 1HB LYS 40 1.130 4.332 9.029 289 2HB LYS 40 2HB LYS 40 -0.601 4.314 8.779 290 1HG LYS 40 1HG LYS 40 0.001 5.712 10.648 291 2HG LYS 40 2HG LYS 40 -0.956 4.328 11.174 292 1HD LYS 40 1HD LYS 40 1.071 3.206 11.932 293 2HD LYS 40 2HD LYS 40 2.041 4.579 11.380 294 1HE LYS 40 1HE LYS 40 0.897 6.043 12.867 295 2HE LYS 40 2HE LYS 40 -0.181 4.737 13.374 296 1HZ LYS 40 1HZ LYS 40 2.771 4.763 13.808 297 2HZ LYS 40 2HZ LYS 40 1.691 3.620 14.409 298 3HZ LYS 40 3HZ LYS 40 1.637 5.216 14.946 299 H THR 41 H THR 41 -2.166 2.516 8.603 300 HA THR 41 HA THR 41 -3.245 0.747 10.620 301 HB THR 41 HB THR 41 -4.753 3.202 10.071 302 HG1 THR 41 HG1 THR 41 -3.637 4.093 12.106 303 1HG2 THR 41 21HG THR 41 -5.509 2.886 12.400 304 2HG2 THR 41 22HG THR 41 -4.379 1.542 12.561 305 3HG2 THR 41 23HG THR 41 -5.720 1.438 11.415 306 H VAL 42 H VAL 42 -5.499 0.174 9.873 307 HA VAL 42 HA VAL 42 -5.867 0.793 7.075 308 HB VAL 42 HB VAL 42 -6.656 -1.847 8.382 309 1HG1 VAL 42 11HG VAL 42 -7.943 -1.259 6.420 310 2HG1 VAL 42 12HG VAL 42 -6.913 -2.661 6.093 311 3HG1 VAL 42 13HG VAL 42 -6.456 -1.057 5.498 312 1HG2 VAL 42 21HG VAL 42 -4.245 -1.757 8.397 313 2HG2 VAL 42 22HG VAL 42 -4.225 -1.313 6.689 314 3HG2 VAL 42 23HG VAL 42 -4.788 -2.911 7.180 315 H THR 43 H THR 43 -8.281 0.611 6.576 316 HA THR 43 HA THR 43 -9.759 1.943 8.593 317 HB THR 43 HB THR 43 -10.068 2.458 6.169 318 HG1 THR 43 HG1 THR 43 -11.972 2.995 6.839 319 1HG2 THR 43 21HG THR 43 -11.213 -0.286 6.128 320 2HG2 THR 43 22HG THR 43 -9.686 0.193 5.380 321 3HG2 THR 43 23HG THR 43 -11.229 0.831 4.745 322 H GLU 44 H GLU 44 -11.429 1.130 9.665 323 HA GLU 44 HA GLU 44 -11.327 -1.748 10.133 324 1HB GLU 44 1HB GLU 44 -10.892 -0.127 11.955 325 2HB GLU 44 2HB GLU 44 -12.513 0.495 11.734 326 1HG GLU 44 1HG GLU 44 -13.430 -1.629 12.415 327 2HG GLU 44 2HG GLU 44 -11.798 -2.277 12.614 328 H GLY 45 H GLY 45 -13.294 0.854 9.223 329 1HA GLY 45 1HA GLY 45 -15.608 -0.917 8.801 330 2HA GLY 45 2HA GLY 45 -15.730 0.860 8.977 331 H GLY 46 H GLY 46 -13.781 -1.349 7.098 332 1HA GLY 46 1HA GLY 46 -15.085 -0.534 4.739 333 2HA GLY 46 2HA GLY 46 -13.376 -0.084 4.901 334 H ALA 47 H ALA 47 -14.610 -1.924 3.214 335 HA ALA 47 HA ALA 47 -14.361 -4.574 3.935 336 1HB ALA 47 1HB ALA 47 -15.531 -3.789 1.935 337 2HB ALA 47 2HB ALA 47 -14.469 -5.160 1.618 338 3HB ALA 47 3HB ALA 47 -13.972 -3.539 1.144 339 H ALA 48 H ALA 48 -11.722 -2.655 3.996 340 HA ALA 48 HA ALA 48 -9.795 -4.279 2.582 341 1HB ALA 48 1HB ALA 48 -9.385 -1.890 2.852 342 2HB ALA 48 2HB ALA 48 -8.103 -2.826 3.624 343 3HB ALA 48 3HB ALA 48 -9.361 -2.082 4.605 344 H GLN 49 H GLN 49 -10.383 -3.604 6.045 345 HA GLN 49 HA GLN 49 -8.815 -5.885 6.781 346 1HB GLN 49 1HB GLN 49 -10.568 -4.051 8.368 347 2HB GLN 49 2HB GLN 49 -9.702 -5.405 9.111 348 1HG GLN 49 1HG GLN 49 -7.597 -4.419 8.271 349 2HG GLN 49 2HG GLN 49 -8.525 -3.056 7.660 350 1HE2 GLN 49 21HE GLN 49 -10.272 -3.175 10.063 351 2HE2 GLN 49 22HE GLN 49 -9.357 -2.412 11.307 352 H ARG 50 H ARG 50 -11.955 -5.411 5.772 353 HA ARG 50 HA ARG 50 -13.088 -7.657 7.075 354 1HB ARG 50 1HB ARG 50 -13.944 -6.347 4.497 355 2HB ARG 50 2HB ARG 50 -14.900 -7.483 5.422 356 1HG ARG 50 1HG ARG 50 -13.898 -4.938 6.553 357 2HG ARG 50 2HG ARG 50 -15.494 -5.033 5.766 358 1HD ARG 50 1HD ARG 50 -14.520 -6.526 8.218 359 2HD ARG 50 2HD ARG 50 -15.635 -5.160 8.192 360 HE ARG 50 HE ARG 50 -16.412 -7.507 6.688 361 1HH1 ARG 50 11HH ARG 50 -16.765 -5.636 9.685 362 2HH1 ARG 50 12HH ARG 50 -18.215 -6.399 10.135 363 1HH2 ARG 50 21HH ARG 50 -18.399 -8.568 7.342 364 2HH2 ARG 50 22HH ARG 50 -19.159 -8.111 8.792 365 H ASP 51 H ASP 51 -11.579 -6.924 3.946 366 HA ASP 51 HA ASP 51 -11.724 -9.448 2.745 367 1HB ASP 51 1HB ASP 51 -10.993 -7.356 1.589 368 2HB ASP 51 2HB ASP 51 -9.464 -7.423 2.455 369 H GLY 52 H GLY 52 -8.953 -8.012 4.434 370 1HA GLY 52 1HA GLY 52 -7.732 -9.008 6.173 371 2HA GLY 52 2HA GLY 52 -8.506 -10.534 5.820 372 H ARG 53 H ARG 53 -7.521 -9.751 2.824 373 HA ARG 53 HA ARG 53 -5.208 -11.427 2.919 374 1HB ARG 53 1HB ARG 53 -6.849 -10.625 0.918 375 2HB ARG 53 2HB ARG 53 -5.556 -9.479 0.684 376 1HG ARG 53 1HG ARG 53 -5.275 -12.493 0.570 377 2HG ARG 53 2HG ARG 53 -5.402 -11.430 -0.818 378 1HD ARG 53 1HD ARG 53 -3.107 -11.990 -0.630 379 2HD ARG 53 2HD ARG 53 -3.245 -10.357 0.013 380 HE ARG 53 HE ARG 53 -3.150 -11.308 2.236 381 1HH1 ARG 53 11HH ARG 53 -1.851 -13.307 -0.406 382 2HH1 ARG 53 12HH ARG 53 -0.913 -14.263 0.619 383 1HH2 ARG 53 21HH ARG 53 -1.893 -12.635 3.611 384 2HH2 ARG 53 22HH ARG 53 -0.934 -13.891 2.975 385 H ILE 54 H ILE 54 -5.803 -8.021 2.940 386 HA ILE 54 HA ILE 54 -3.019 -7.299 2.726 387 HB ILE 54 HB ILE 54 -5.046 -5.971 1.812 388 1HG1 ILE 54 11HG ILE 54 -3.103 -4.419 3.531 389 2HG1 ILE 54 12HG ILE 54 -2.694 -5.134 1.972 390 1HG2 ILE 54 21HG ILE 54 -5.187 -5.218 4.722 391 2HG2 ILE 54 22HG ILE 54 -6.461 -5.985 3.770 392 3HG2 ILE 54 23HG ILE 54 -5.997 -4.308 3.440 393 1HD1 ILE 54 11HD ILE 54 -4.411 -3.789 0.910 394 2HD1 ILE 54 12HD ILE 54 -3.185 -2.797 1.686 395 3HD1 ILE 54 13HD ILE 54 -4.782 -3.023 2.455 396 H GLN 55 H GLN 55 -1.846 -6.230 4.530 397 HA GLN 55 HA GLN 55 -3.095 -6.794 7.091 398 1HB GLN 55 1HB GLN 55 -0.134 -7.104 6.550 399 2HB GLN 55 2HB GLN 55 -1.018 -7.638 7.971 400 1HG GLN 55 1HG GLN 55 -2.117 -9.363 6.694 401 2HG GLN 55 2HG GLN 55 -1.394 -8.764 5.205 402 1HE2 GLN 55 21HE GLN 55 0.869 -8.904 5.010 403 2HE2 GLN 55 22HE GLN 55 1.754 -10.185 5.745 404 H VAL 56 H VAL 56 -2.074 -5.504 8.858 405 HA VAL 56 HA VAL 56 -1.724 -2.752 7.948 406 HB VAL 56 HB VAL 56 -3.338 -3.444 9.790 407 1HG1 VAL 56 11HG VAL 56 -1.971 -5.011 11.005 408 2HG1 VAL 56 12HG VAL 56 -2.507 -3.712 12.067 409 3HG1 VAL 56 13HG VAL 56 -0.855 -3.724 11.448 410 1HG2 VAL 56 21HG VAL 56 -2.724 -1.094 9.490 411 2HG2 VAL 56 22HG VAL 56 -1.321 -1.327 10.519 412 3HG2 VAL 56 23HG VAL 56 -2.941 -1.471 11.198 413 H ASN 57 H ASN 57 0.440 -4.959 7.912 414 HA ASN 57 HA ASN 57 2.497 -3.285 9.150 415 1HB ASN 57 1HB ASN 57 1.822 -5.081 10.756 416 2HB ASN 57 2HB ASN 57 2.342 -6.284 9.594 417 1HD2 ASN 57 21HD ASN 57 3.423 -3.717 11.730 418 2HD2 ASN 57 22HD ASN 57 5.058 -4.257 11.849 419 H ASP 58 H ASP 58 1.502 -3.997 6.454 420 HA ASP 58 HA ASP 58 3.958 -5.101 5.305 421 1HB ASP 58 1HB ASP 58 1.178 -4.843 4.166 422 2HB ASP 58 2HB ASP 58 2.574 -5.172 3.158 423 H GLN 59 H GLN 59 4.012 -4.098 2.877 424 HA GLN 59 HA GLN 59 4.183 -1.189 3.246 425 1HB GLN 59 1HB GLN 59 6.403 -2.197 3.235 426 2HB GLN 59 2HB GLN 59 5.959 -3.071 1.766 427 1HG GLN 59 1HG GLN 59 5.932 -1.088 0.475 428 2HG GLN 59 2HG GLN 59 6.066 -0.081 1.911 429 1HE2 GLN 59 21HE GLN 59 7.996 0.158 2.882 430 2HE2 GLN 59 22HE GLN 59 9.491 -0.257 2.115 431 H ILE 60 H ILE 60 3.220 0.012 1.707 432 HA ILE 60 HA ILE 60 1.682 -1.304 -0.341 433 HB ILE 60 HB ILE 60 2.211 1.666 -0.003 434 1HG1 ILE 60 11HG ILE 60 1.094 0.800 2.027 435 2HG1 ILE 60 12HG ILE 60 0.010 1.798 1.060 436 1HG2 ILE 60 21HG ILE 60 -0.002 0.236 -1.438 437 2HG2 ILE 60 22HG ILE 60 1.438 0.852 -2.209 438 3HG2 ILE 60 23HG ILE 60 0.296 1.979 -1.458 439 1HD1 ILE 60 11HD ILE 60 -1.053 -0.218 0.179 440 2HD1 ILE 60 12HD ILE 60 -1.157 -0.125 1.933 441 3HD1 ILE 60 13HD ILE 60 0.018 -1.206 1.177 442 H VAL 61 H VAL 61 2.969 -2.135 -1.985 443 HA VAL 61 HA VAL 61 5.413 -0.765 -2.661 444 HB VAL 61 HB VAL 61 4.178 -3.319 -3.739 445 1HG1 VAL 61 11HG VAL 61 5.564 -2.308 -5.454 446 2HG1 VAL 61 12HG VAL 61 6.230 -3.809 -4.815 447 3HG1 VAL 61 13HG VAL 61 6.930 -2.254 -4.318 448 1HG2 VAL 61 21HG VAL 61 5.964 -4.439 -2.512 449 2HG2 VAL 61 22HG VAL 61 4.914 -3.503 -1.448 450 3HG2 VAL 61 23HG VAL 61 6.509 -2.883 -1.883 451 H GLU 62 H GLU 62 2.412 -1.584 -4.315 452 HA GLU 62 HA GLU 62 2.599 0.843 -5.884 453 1HB GLU 62 1HB GLU 62 3.967 -0.658 -7.187 454 2HB GLU 62 2HB GLU 62 2.722 -1.884 -7.187 455 1HG GLU 62 1HG GLU 62 1.293 -0.449 -8.508 456 2HG GLU 62 2HG GLU 62 2.519 0.817 -8.473 457 H VAL 63 H VAL 63 0.608 1.630 -5.531 458 HA VAL 63 HA VAL 63 -1.645 -0.201 -5.718 459 HB VAL 63 HB VAL 63 -1.309 2.438 -4.272 460 1HG1 VAL 63 11HG VAL 63 -3.730 2.606 -4.008 461 2HG1 VAL 63 12HG VAL 63 -3.960 1.257 -5.131 462 3HG1 VAL 63 13HG VAL 63 -3.259 2.781 -5.701 463 1HG2 VAL 63 21HG VAL 63 -2.635 -0.175 -3.640 464 2HG2 VAL 63 22HG VAL 63 -2.332 1.152 -2.518 465 3HG2 VAL 63 23HG VAL 63 -0.986 0.251 -3.224 466 H ASP 64 H ASP 64 -2.972 -0.191 -7.273 467 HA ASP 64 HA ASP 64 -4.179 0.302 -9.095 468 1HB ASP 64 1HB ASP 64 -4.770 2.451 -8.163 469 2HB ASP 64 2HB ASP 64 -3.253 3.159 -8.698 470 H GLY 65 H GLY 65 -1.060 0.915 -8.980 471 1HA GLY 65 1HA GLY 65 0.485 0.139 -10.717 472 2HA GLY 65 2HA GLY 65 -0.701 0.737 -11.890 473 H ILE 66 H ILE 66 -0.460 2.750 -9.205 474 HA ILE 66 HA ILE 66 0.552 4.950 -10.703 475 HB ILE 66 HB ILE 66 -1.093 4.886 -8.583 476 1HG1 ILE 66 11HG ILE 66 1.007 7.039 -8.908 477 2HG1 ILE 66 12HG ILE 66 -0.404 6.862 -9.954 478 1HG2 ILE 66 21HG ILE 66 0.483 3.892 -7.029 479 2HG2 ILE 66 22HG ILE 66 0.075 5.534 -6.510 480 3HG2 ILE 66 23HG ILE 66 1.617 5.215 -7.301 481 1HD1 ILE 66 11HD ILE 66 -0.413 7.424 -7.019 482 2HD1 ILE 66 12HD ILE 66 -1.846 7.230 -8.031 483 3HD1 ILE 66 13HD ILE 66 -0.750 8.592 -8.299 484 H SER 67 H SER 67 2.045 2.483 -8.988 485 HA SER 67 HA SER 67 4.034 2.131 -8.020 486 1HB SER 67 1HB SER 67 5.998 2.792 -9.554 487 2HB SER 67 2HB SER 67 4.761 1.734 -10.227 488 HG SER 67 HG SER 67 4.284 4.425 -10.514 489 H LEU 68 H LEU 68 3.756 3.198 -6.171 490 HA LEU 68 HA LEU 68 4.898 5.810 -6.025 491 1HB LEU 68 1HB LEU 68 3.776 5.999 -3.868 492 2HB LEU 68 2HB LEU 68 2.665 5.563 -5.126 493 HG LEU 68 HG LEU 68 1.867 4.410 -3.429 494 1HD1 LEU 68 11HD LEU 68 3.604 2.306 -4.478 495 2HD1 LEU 68 12HD LEU 68 2.030 2.862 -5.087 496 3HD1 LEU 68 13HD LEU 68 2.152 2.111 -3.505 497 1HD2 LEU 68 21HD LEU 68 3.098 3.208 -1.648 498 2HD2 LEU 68 22HD LEU 68 3.402 4.945 -1.695 499 3HD2 LEU 68 23HD LEU 68 4.599 3.824 -2.342 500 H VAL 69 H VAL 69 6.538 3.546 -6.476 501 HA VAL 69 HA VAL 69 7.885 2.809 -4.084 502 HB VAL 69 HB VAL 69 8.877 2.583 -6.939 503 1HG1 VAL 69 11HG VAL 69 10.355 0.839 -6.083 504 2HG1 VAL 69 12HG VAL 69 9.745 1.118 -4.452 505 3HG1 VAL 69 13HG VAL 69 10.649 2.381 -5.283 506 1HG2 VAL 69 21HG VAL 69 6.754 1.406 -6.684 507 2HG2 VAL 69 22HG VAL 69 7.384 0.549 -5.278 508 3HG2 VAL 69 23HG VAL 69 8.082 0.260 -6.873 509 H GLY 70 H GLY 70 8.543 4.599 -3.089 510 1HA GLY 70 1HA GLY 70 10.667 5.684 -2.633 511 2HA GLY 70 2HA GLY 70 10.796 6.008 -4.365 512 H VAL 71 H VAL 71 7.933 6.316 -2.461 513 HA VAL 71 HA VAL 71 8.072 9.200 -3.033 514 HB VAL 71 HB VAL 71 5.671 9.388 -3.020 515 1HG1 VAL 71 11HG VAL 71 5.074 8.051 -4.970 516 2HG1 VAL 71 12HG VAL 71 6.558 7.117 -4.765 517 3HG1 VAL 71 13HG VAL 71 6.643 8.836 -5.132 518 1HG2 VAL 71 21HG VAL 71 5.529 6.421 -2.463 519 2HG2 VAL 71 22HG VAL 71 4.167 7.536 -2.710 520 3HG2 VAL 71 23HG VAL 71 5.198 7.705 -1.299 521 H THR 72 H THR 72 6.555 10.459 -1.538 522 HA THR 72 HA THR 72 7.570 10.053 1.139 523 HB THR 72 HB THR 72 6.518 12.289 1.459 524 HG1 THR 72 HG1 THR 72 6.420 12.482 -1.355 525 1HG2 THR 72 21HG THR 72 8.534 12.012 -0.768 526 2HG2 THR 72 22HG THR 72 8.862 11.995 0.969 527 3HG2 THR 72 23HG THR 72 8.240 13.466 0.202 528 H GLN 73 H GLN 73 6.043 10.722 2.848 529 HA GLN 73 HA GLN 73 3.893 8.880 2.793 530 1HB GLN 73 1HB GLN 73 3.499 9.291 5.054 531 2HB GLN 73 2HB GLN 73 5.155 9.831 4.906 532 1HG GLN 73 1HG GLN 73 2.773 11.644 4.794 533 2HG GLN 73 2HG GLN 73 3.668 11.300 6.269 534 1HE2 GLN 73 21HE GLN 73 6.238 11.264 5.009 535 2HE2 GLN 73 22HE GLN 73 6.609 12.876 4.596 536 H ASN 74 H ASN 74 4.091 12.272 2.091 537 HA ASN 74 HA ASN 74 1.270 12.675 2.209 538 1HB ASN 74 1HB ASN 74 1.662 14.862 1.105 539 2HB ASN 74 2HB ASN 74 2.711 14.629 2.496 540 1HD2 ASN 74 21HD ASN 74 4.911 14.593 2.192 541 2HD2 ASN 74 22HD ASN 74 5.642 14.876 0.648 542 H PHE 75 H PHE 75 3.484 11.659 -0.280 543 HA PHE 75 HA PHE 75 1.632 11.912 -2.409 544 1HB PHE 75 1HB PHE 75 4.140 11.605 -2.689 545 2HB PHE 75 2HB PHE 75 3.902 9.936 -2.191 546 HD1 PHE 75 HD1 PHE 75 3.816 12.237 -4.927 547 HD2 PHE 75 HD2 PHE 75 2.411 8.420 -3.648 548 HE1 PHE 75 HE1 PHE 75 3.336 11.616 -7.254 549 HE2 PHE 75 HE2 PHE 75 1.924 7.814 -5.974 550 HZ PHE 75 HZ PHE 75 2.392 9.410 -7.772 551 H ALA 76 H ALA 76 2.715 9.222 -0.391 552 HA ALA 76 HA ALA 76 1.010 7.300 -1.475 553 1HB ALA 76 1HB ALA 76 2.214 7.358 1.275 554 2HB ALA 76 2HB ALA 76 2.997 6.767 -0.196 555 3HB ALA 76 3HB ALA 76 1.559 5.951 0.431 556 H ALA 77 H ALA 77 0.572 9.437 1.356 557 HA ALA 77 HA ALA 77 -1.895 8.344 2.192 558 1HB ALA 77 1HB ALA 77 -2.155 10.374 3.515 559 2HB ALA 77 2HB ALA 77 -0.877 11.152 2.583 560 3HB ALA 77 3HB ALA 77 -0.495 9.782 3.630 561 H THR 78 H THR 78 -1.118 10.169 -0.499 562 HA THR 78 HA THR 78 -3.803 11.152 -0.833 563 HB THR 78 HB THR 78 -1.306 11.350 -2.499 564 HG1 THR 78 HG1 THR 78 -1.197 12.683 -0.761 565 1HG2 THR 78 21HG THR 78 -4.012 12.606 -3.037 566 2HG2 THR 78 22HG THR 78 -3.233 11.340 -3.989 567 3HG2 THR 78 23HG THR 78 -2.526 12.958 -3.932 568 H VAL 79 H VAL 79 -1.616 8.777 -2.363 569 HA VAL 79 HA VAL 79 -3.444 7.835 -4.286 570 HB VAL 79 HB VAL 79 -1.318 6.132 -2.940 571 1HG1 VAL 79 11HG VAL 79 -2.556 5.921 -5.677 572 2HG1 VAL 79 12HG VAL 79 -2.892 4.887 -4.301 573 3HG1 VAL 79 13HG VAL 79 -1.291 4.879 -5.024 574 1HG2 VAL 79 21HG VAL 79 0.167 6.867 -4.774 575 2HG2 VAL 79 22HG VAL 79 -0.275 8.167 -3.673 576 3HG2 VAL 79 23HG VAL 79 -1.059 8.052 -5.244 577 H LEU 80 H LEU 80 -2.578 6.494 -1.117 578 HA LEU 80 HA LEU 80 -4.549 4.465 -1.118 579 1HB LEU 80 1HB LEU 80 -2.892 5.626 1.113 580 2HB LEU 80 2HB LEU 80 -4.022 4.321 1.369 581 HG LEU 80 HG LEU 80 -1.852 3.367 1.243 582 1HD1 LEU 80 11HD LEU 80 -3.183 2.878 -1.392 583 2HD1 LEU 80 12HD LEU 80 -3.588 2.112 0.139 584 3HD1 LEU 80 13HD LEU 80 -2.005 1.838 -0.591 585 1HD2 LEU 80 21HD LEU 80 -0.319 3.641 -0.630 586 2HD2 LEU 80 22HD LEU 80 -0.702 5.205 0.095 587 3HD2 LEU 80 23HD LEU 80 -1.476 4.722 -1.410 588 H ARG 81 H ARG 81 -5.029 7.641 -0.889 589 HA ARG 81 HA ARG 81 -7.406 7.446 0.830 590 1HB ARG 81 1HB ARG 81 -5.919 9.326 1.224 591 2HB ARG 81 2HB ARG 81 -6.009 9.770 -0.474 592 1HG ARG 81 1HG ARG 81 -8.505 10.012 -0.098 593 2HG ARG 81 2HG ARG 81 -8.116 9.968 1.625 594 1HD ARG 81 1HD ARG 81 -6.552 11.832 1.287 595 2HD ARG 81 2HD ARG 81 -7.007 11.850 -0.414 596 HE ARG 81 HE ARG 81 -9.329 11.999 1.115 597 1HH1 ARG 81 11HH ARG 81 -6.528 14.017 0.378 598 2HH1 ARG 81 12HH ARG 81 -7.365 15.493 0.536 599 1HH2 ARG 81 21HH ARG 81 -10.498 14.012 1.286 600 2HH2 ARG 81 22HH ARG 81 -9.681 15.481 1.051 601 H ASN 82 H ASN 82 -6.235 8.347 -2.359 602 HA ASN 82 HA ASN 82 -8.792 9.066 -3.377 603 1HB ASN 82 1HB ASN 82 -6.016 9.189 -4.343 604 2HB ASN 82 2HB ASN 82 -7.287 9.247 -5.549 605 1HD2 ASN 82 21HD ASN 82 -5.855 10.785 -2.826 606 2HD2 ASN 82 22HD ASN 82 -6.655 12.314 -3.015 607 H THR 83 H THR 83 -7.572 6.251 -2.831 608 HA THR 83 HA THR 83 -7.817 4.594 -5.029 609 HB THR 83 HB THR 83 -8.545 2.991 -3.117 610 HG1 THR 83 HG1 THR 83 -8.932 5.162 -1.960 611 1HG2 THR 83 21HG THR 83 -6.197 2.888 -2.323 612 2HG2 THR 83 22HG THR 83 -5.882 4.444 -3.092 613 3HG2 THR 83 23HG THR 83 -6.276 3.037 -4.076 614 H LYS 84 H LYS 84 -9.528 3.243 -5.656 615 HA LYS 84 HA LYS 84 -12.204 4.233 -5.028 616 1HB LYS 84 1HB LYS 84 -11.050 3.055 -7.559 617 2HB LYS 84 2HB LYS 84 -12.783 3.206 -7.303 618 1HG LYS 84 1HG LYS 84 -10.844 5.512 -7.230 619 2HG LYS 84 2HG LYS 84 -11.826 5.062 -8.629 620 1HD LYS 84 1HD LYS 84 -13.857 5.406 -7.344 621 2HD LYS 84 2HD LYS 84 -12.915 5.738 -5.909 622 1HE LYS 84 1HE LYS 84 -13.764 7.791 -6.924 623 2HE LYS 84 2HE LYS 84 -12.006 7.747 -6.873 624 1HZ LYS 84 1HZ LYS 84 -13.672 7.163 -9.276 625 2HZ LYS 84 2HZ LYS 84 -11.974 7.198 -9.211 626 3HZ LYS 84 3HZ LYS 84 -12.851 8.599 -8.947 627 H GLY 85 H GLY 85 -13.640 2.147 -6.101 628 1HA GLY 85 1HA GLY 85 -13.784 0.325 -4.026 629 2HA GLY 85 2HA GLY 85 -14.486 0.114 -5.623 630 H ASN 86 H ASN 86 -12.798 -0.528 -7.309 631 HA ASN 86 HA ASN 86 -11.578 -2.883 -6.206 632 1HB ASN 86 1HB ASN 86 -11.490 -1.900 -9.080 633 2HB ASN 86 2HB ASN 86 -10.976 -3.495 -8.501 634 1HD2 ASN 86 21HD ASN 86 -12.514 -5.007 -7.976 635 2HD2 ASN 86 22HD ASN 86 -14.184 -4.798 -8.322 636 H VAL 87 H VAL 87 -9.515 -2.787 -5.430 637 HA VAL 87 HA VAL 87 -7.669 -0.746 -6.554 638 HB VAL 87 HB VAL 87 -7.378 -1.757 -3.781 639 1HG1 VAL 87 11HG VAL 87 -6.535 0.787 -5.108 640 2HG1 VAL 87 12HG VAL 87 -5.536 -0.603 -4.675 641 3HG1 VAL 87 13HG VAL 87 -6.272 0.385 -3.408 642 1HG2 VAL 87 21HG VAL 87 -9.608 -0.995 -3.792 643 2HG2 VAL 87 22HG VAL 87 -9.152 0.536 -4.556 644 3HG2 VAL 87 23HG VAL 87 -8.626 0.171 -2.898 645 H ARG 88 H ARG 88 -5.918 -1.626 -7.390 646 HA ARG 88 HA ARG 88 -5.081 -4.301 -6.608 647 1HB ARG 88 1HB ARG 88 -4.181 -2.388 -8.713 648 2HB ARG 88 2HB ARG 88 -3.250 -3.814 -8.297 649 1HG ARG 88 1HG ARG 88 -5.000 -5.253 -8.963 650 2HG ARG 88 2HG ARG 88 -6.125 -3.903 -9.147 651 1HD ARG 88 1HD ARG 88 -5.259 -4.635 -11.277 652 2HD ARG 88 2HD ARG 88 -4.780 -2.980 -10.856 653 HE ARG 88 HE ARG 88 -2.964 -5.289 -10.553 654 1HH1 ARG 88 11HH ARG 88 -3.556 -2.013 -11.802 655 2HH1 ARG 88 12HH ARG 88 -1.943 -1.720 -12.207 656 1HH2 ARG 88 21HH ARG 88 -0.708 -4.863 -11.102 657 2HH2 ARG 88 22HH ARG 88 -0.271 -3.385 -11.811 658 H PHE 89 H PHE 89 -4.166 -4.283 -4.724 659 HA PHE 89 HA PHE 89 -2.095 -2.333 -4.076 660 1HB PHE 89 1HB PHE 89 -3.208 -4.637 -2.464 661 2HB PHE 89 2HB PHE 89 -2.008 -3.483 -1.919 662 HD1 PHE 89 HD1 PHE 89 -5.516 -4.093 -2.566 663 HD2 PHE 89 HD2 PHE 89 -2.610 -1.239 -1.407 664 HE1 PHE 89 HE1 PHE 89 -7.290 -2.627 -1.688 665 HE2 PHE 89 HE2 PHE 89 -4.364 0.211 -0.547 666 HZ PHE 89 HZ PHE 89 -6.722 -0.506 -0.686 667 H VAL 90 H VAL 90 -0.283 -2.912 -5.191 668 HA VAL 90 HA VAL 90 0.398 -5.719 -5.139 669 HB VAL 90 HB VAL 90 1.907 -3.401 -6.383 670 1HG1 VAL 90 11HG VAL 90 3.123 -5.163 -7.632 671 2HG1 VAL 90 12HG VAL 90 2.235 -6.387 -6.722 672 3HG1 VAL 90 13HG VAL 90 3.345 -5.303 -5.887 673 1HG2 VAL 90 21HG VAL 90 1.047 -4.172 -8.543 674 2HG2 VAL 90 22HG VAL 90 -0.270 -3.700 -7.465 675 3HG2 VAL 90 23HG VAL 90 0.096 -5.407 -7.721 676 H ILE 91 H ILE 91 0.730 -5.894 -3.026 677 HA ILE 91 HA ILE 91 2.826 -4.309 -1.771 678 HB ILE 91 HB ILE 91 0.532 -5.989 -0.809 679 1HG1 ILE 91 11HG ILE 91 1.235 -3.124 -0.349 680 2HG1 ILE 91 12HG ILE 91 0.054 -3.688 -1.529 681 1HG2 ILE 91 21HG ILE 91 1.141 -5.514 1.507 682 2HG2 ILE 91 22HG ILE 91 2.662 -4.813 0.959 683 3HG2 ILE 91 23HG ILE 91 2.341 -6.530 0.703 684 1HD1 ILE 91 11HD ILE 91 -0.987 -2.869 0.391 685 2HD1 ILE 91 12HD ILE 91 -0.038 -3.995 1.404 686 3HD1 ILE 91 13HD ILE 91 -1.213 -4.625 0.196 687 H GLY 92 H GLY 92 4.379 -5.521 -0.515 688 1HA GLY 92 1HA GLY 92 4.495 -8.287 -1.327 689 2HA GLY 92 2HA GLY 92 5.951 -7.318 -1.481 690 H ARG 93 H ARG 93 5.382 -9.629 0.113 691 HA ARG 93 HA ARG 93 5.744 -8.611 2.862 692 1HB ARG 93 1HB ARG 93 3.759 -10.012 2.597 693 2HB ARG 93 2HB ARG 93 4.703 -11.256 1.797 694 1HG ARG 93 1HG ARG 93 5.279 -10.435 4.624 695 2HG ARG 93 2HG ARG 93 3.986 -11.574 4.252 696 1HD ARG 93 1HD ARG 93 6.854 -11.897 3.405 697 2HD ARG 93 2HD ARG 93 6.153 -12.623 4.846 698 HE ARG 93 HE ARG 93 4.519 -13.610 3.106 699 1HH1 ARG 93 11HH ARG 93 8.058 -13.209 2.561 700 2HH1 ARG 93 12HH ARG 93 8.162 -14.510 1.503 701 1HH2 ARG 93 21HH ARG 93 4.735 -15.434 1.625 702 2HH2 ARG 93 22HH ARG 93 6.245 -15.799 0.948 703 H GLU 94 H GLU 94 7.665 -8.836 3.727 704 HA GLU 94 HA GLU 94 9.676 -10.132 2.173 705 1HB GLU 94 1HB GLU 94 11.248 -9.321 3.971 706 2HB GLU 94 2HB GLU 94 10.339 -8.058 3.171 707 1HG GLU 94 1HG GLU 94 8.917 -7.791 5.080 708 2HG GLU 94 2HG GLU 94 9.609 -9.220 5.846 Start of MODEL 6 1 1H GLY 1 1H GLY 1 17.586 -12.790 -1.677 2 2H GLY 1 2H GLY 1 17.668 -13.365 -0.087 3 3H GLY 1 3H GLY 1 16.678 -12.054 -0.466 4 1HA GLY 1 1HA GLY 1 16.339 -14.830 -1.429 5 2HA GLY 1 2HA GLY 1 15.342 -14.022 -0.222 6 H HIS 2 H HIS 2 13.447 -14.269 -1.505 7 HA HIS 2 HA HIS 2 13.354 -12.415 -3.776 8 1HB HIS 2 1HB HIS 2 13.341 -14.694 -4.687 9 2HB HIS 2 2HB HIS 2 12.016 -15.135 -3.618 10 HD1 HIS 2 HD1 HIS 2 9.627 -14.521 -4.397 11 HD2 HIS 2 HD2 HIS 2 12.628 -13.007 -6.846 12 HE1 HIS 2 HE1 HIS 2 8.466 -13.575 -6.416 13 H MET 3 H MET 3 11.839 -10.925 -3.588 14 HA MET 3 HA MET 3 9.930 -11.111 -1.414 15 1HB MET 3 1HB MET 3 11.274 -9.079 -1.619 16 2HB MET 3 2HB MET 3 10.726 -8.874 -3.272 17 1HG MET 3 1HG MET 3 8.488 -8.409 -2.521 18 2HG MET 3 2HG MET 3 8.950 -8.741 -0.852 19 1HE MET 3 1HE MET 3 9.682 -6.427 -3.978 20 2HE MET 3 2HE MET 3 11.302 -6.838 -3.418 21 3HE MET 3 3HE MET 3 10.707 -5.191 -3.256 22 H GLU 4 H GLU 4 7.832 -11.495 -1.714 23 HA GLU 4 HA GLU 4 6.830 -12.088 -4.399 24 1HB GLU 4 1HB GLU 4 6.360 -13.676 -2.552 25 2HB GLU 4 2HB GLU 4 5.557 -12.381 -1.670 26 1HG GLU 4 1HG GLU 4 3.901 -12.250 -3.562 27 2HG GLU 4 2HG GLU 4 4.646 -13.693 -4.226 28 H LEU 5 H LEU 5 6.184 -10.258 -5.472 29 HA LEU 5 HA LEU 5 4.634 -8.331 -3.984 30 1HB LEU 5 1HB LEU 5 5.357 -8.348 -6.932 31 2HB LEU 5 2HB LEU 5 4.594 -7.039 -6.058 32 HG LEU 5 HG LEU 5 6.742 -6.334 -6.299 33 1HD1 LEU 5 11HD LEU 5 7.711 -6.237 -4.100 34 2HD1 LEU 5 12HD LEU 5 6.770 -7.658 -3.651 35 3HD1 LEU 5 13HD LEU 5 5.939 -6.134 -4.008 36 1HD2 LEU 5 21HD LEU 5 8.774 -7.644 -5.873 37 2HD2 LEU 5 22HD LEU 5 7.769 -8.395 -7.115 38 3HD2 LEU 5 23HD LEU 5 7.780 -9.045 -5.479 39 H PHE 6 H PHE 6 2.488 -8.296 -4.004 40 HA PHE 6 HA PHE 6 1.167 -10.041 -5.882 41 1HB PHE 6 1HB PHE 6 -0.347 -10.637 -3.942 42 2HB PHE 6 2HB PHE 6 1.190 -11.477 -4.060 43 HD1 PHE 6 HD1 PHE 6 2.832 -11.074 -2.277 44 HD2 PHE 6 HD2 PHE 6 -0.842 -9.015 -2.381 45 HE1 PHE 6 HE1 PHE 6 3.229 -10.343 0.024 46 HE2 PHE 6 HE2 PHE 6 -0.489 -8.234 -0.036 47 HZ PHE 6 HZ PHE 6 1.561 -8.906 1.164 48 HA PRO 7 HA PRO 7 -1.687 -6.633 -6.087 49 1HB PRO 7 1HB PRO 7 -3.360 -7.702 -7.744 50 2HB PRO 7 2HB PRO 7 -1.746 -7.227 -8.281 51 1HG PRO 7 1HG PRO 7 -2.752 -9.995 -7.587 52 2HG PRO 7 2HG PRO 7 -1.676 -9.523 -8.937 53 1HD PRO 7 1HD PRO 7 -0.929 -10.577 -6.465 54 2HD PRO 7 2HD PRO 7 0.130 -9.631 -7.555 55 H VAL 8 H VAL 8 -3.004 -6.282 -4.511 56 HA VAL 8 HA VAL 8 -4.991 -8.321 -3.904 57 HB VAL 8 HB VAL 8 -4.260 -5.965 -2.160 58 1HG1 VAL 8 11HG VAL 8 -5.928 -8.403 -1.614 59 2HG1 VAL 8 12HG VAL 8 -6.485 -6.733 -1.734 60 3HG1 VAL 8 13HG VAL 8 -5.447 -7.224 -0.395 61 1HG2 VAL 8 21HG VAL 8 -3.077 -7.576 -0.722 62 2HG2 VAL 8 22HG VAL 8 -2.361 -7.409 -2.332 63 3HG2 VAL 8 23HG VAL 8 -3.349 -8.821 -1.953 64 H GLU 9 H GLU 9 -6.564 -7.828 -5.309 65 HA GLU 9 HA GLU 9 -7.373 -5.082 -5.628 66 1HB GLU 9 1HB GLU 9 -7.381 -6.756 -7.520 67 2HB GLU 9 2HB GLU 9 -8.704 -7.579 -6.712 68 1HG GLU 9 1HG GLU 9 -10.117 -5.628 -6.968 69 2HG GLU 9 2HG GLU 9 -8.772 -4.721 -7.665 70 H LEU 10 H LEU 10 -8.303 -4.291 -3.928 71 HA LEU 10 HA LEU 10 -9.922 -5.994 -2.200 72 1HB LEU 10 1HB LEU 10 -8.069 -4.070 -1.661 73 2HB LEU 10 2HB LEU 10 -9.532 -3.114 -1.654 74 HG LEU 10 HG LEU 10 -9.072 -3.672 0.591 75 1HD1 LEU 10 11HD LEU 10 -11.423 -3.843 0.127 76 2HD1 LEU 10 12HD LEU 10 -10.980 -5.100 1.289 77 3HD1 LEU 10 13HD LEU 10 -11.223 -5.504 -0.398 78 1HD2 LEU 10 21HD LEU 10 -8.697 -5.936 1.379 79 2HD2 LEU 10 22HD LEU 10 -7.487 -5.458 0.190 80 3HD2 LEU 10 23HD LEU 10 -8.805 -6.540 -0.271 81 H GLU 11 H GLU 11 -12.107 -5.761 -2.274 82 HA GLU 11 HA GLU 11 -13.127 -3.594 -3.903 83 1HB GLU 11 1HB GLU 11 -13.820 -5.841 -4.578 84 2HB GLU 11 2HB GLU 11 -14.503 -6.116 -2.979 85 1HG GLU 11 1HG GLU 11 -16.249 -4.605 -3.347 86 2HG GLU 11 2HG GLU 11 -15.436 -3.877 -4.733 87 H LYS 12 H LYS 12 -13.049 -1.964 -2.602 88 HA LYS 12 HA LYS 12 -14.231 -2.108 0.007 89 1HB LYS 12 1HB LYS 12 -12.445 -0.231 -1.399 90 2HB LYS 12 2HB LYS 12 -13.404 0.438 -0.103 91 1HG LYS 12 1HG LYS 12 -11.435 -1.852 0.036 92 2HG LYS 12 2HG LYS 12 -11.189 -0.228 0.701 93 1HD LYS 12 1HD LYS 12 -13.614 -1.336 1.696 94 2HD LYS 12 2HD LYS 12 -12.307 -2.530 1.912 95 1HE LYS 12 1HE LYS 12 -12.458 -1.294 3.888 96 2HE LYS 12 2HE LYS 12 -11.054 -0.735 3.110 97 1HZ LYS 12 1HZ LYS 12 -12.333 1.214 2.150 98 2HZ LYS 12 2HZ LYS 12 -12.353 1.261 3.819 99 3HZ LYS 12 3HZ LYS 12 -13.691 0.737 2.973 100 H ASP 13 H ASP 13 -15.119 0.188 0.530 101 HA ASP 13 HA ASP 13 -17.679 0.411 -0.660 102 1HB ASP 13 1HB ASP 13 -17.818 2.279 1.060 103 2HB ASP 13 2HB ASP 13 -17.557 0.655 1.685 104 H GLU 14 H GLU 14 -18.400 2.790 -0.893 105 HA GLU 14 HA GLU 14 -16.887 3.838 -3.127 106 1HB GLU 14 1HB GLU 14 -18.820 5.295 -3.488 107 2HB GLU 14 2HB GLU 14 -19.293 3.611 -3.312 108 1HG GLU 14 1HG GLU 14 -19.671 4.301 -0.807 109 2HG GLU 14 2HG GLU 14 -19.752 5.917 -1.490 110 H ASP 15 H ASP 15 -16.824 4.354 0.107 111 HA ASP 15 HA ASP 15 -16.169 7.164 -0.000 112 1HB ASP 15 1HB ASP 15 -17.203 6.275 2.037 113 2HB ASP 15 2HB ASP 15 -15.881 5.139 2.233 114 H GLY 16 H GLY 16 -14.548 4.050 0.393 115 1HA GLY 16 1HA GLY 16 -12.560 4.148 -1.225 116 2HA GLY 16 2HA GLY 16 -12.018 5.412 -0.134 117 H LEU 17 H LEU 17 -10.623 4.758 1.279 118 HA LEU 17 HA LEU 17 -10.513 1.861 1.810 119 1HB LEU 17 1HB LEU 17 -8.262 3.749 2.294 120 2HB LEU 17 2HB LEU 17 -8.226 2.013 2.084 121 HG LEU 17 HG LEU 17 -8.692 4.078 0.012 122 1HD1 LEU 17 11HD LEU 17 -6.411 3.910 0.663 123 2HD1 LEU 17 12HD LEU 17 -6.597 3.188 -0.934 124 3HD1 LEU 17 13HD LEU 17 -6.438 2.158 0.490 125 1HD2 LEU 17 21HD LEU 17 -8.668 2.218 -1.605 126 2HD2 LEU 17 22HD LEU 17 -10.071 2.215 -0.540 127 3HD2 LEU 17 23HD LEU 17 -8.766 1.070 -0.257 128 H GLY 18 H GLY 18 -10.143 5.055 3.221 129 1HA GLY 18 1HA GLY 18 -10.294 5.785 5.352 130 2HA GLY 18 2HA GLY 18 -11.044 4.243 5.767 131 H ILE 19 H ILE 19 -7.901 4.444 4.243 132 HA ILE 19 HA ILE 19 -6.810 3.329 6.743 133 HB ILE 19 HB ILE 19 -5.127 2.135 5.514 134 1HG1 ILE 19 11HG ILE 19 -6.149 3.473 2.999 135 2HG1 ILE 19 12HG ILE 19 -4.665 3.902 3.848 136 1HG2 ILE 19 21HG ILE 19 -7.333 1.091 5.568 137 2HG2 ILE 19 22HG ILE 19 -6.484 0.678 4.077 138 3HG2 ILE 19 23HG ILE 19 -7.757 1.901 4.067 139 1HD1 ILE 19 11HD ILE 19 -5.236 1.241 2.553 140 2HD1 ILE 19 12HD ILE 19 -3.759 1.678 3.412 141 3HD1 ILE 19 13HD ILE 19 -4.181 2.505 1.915 142 H SER 20 H SER 20 -4.187 3.620 6.561 143 HA SER 20 HA SER 20 -3.561 6.418 6.007 144 1HB SER 20 1HB SER 20 -3.290 5.050 8.696 145 2HB SER 20 2HB SER 20 -2.702 6.664 8.351 146 HG SER 20 HG SER 20 -5.233 6.529 7.617 147 H ILE 21 H ILE 21 -1.284 6.761 5.883 148 HA ILE 21 HA ILE 21 0.353 4.311 5.658 149 HB ILE 21 HB ILE 21 1.517 5.326 3.757 150 1HG1 ILE 21 11HG ILE 21 -0.087 7.266 2.648 151 2HG1 ILE 21 12HG ILE 21 -0.284 7.591 4.341 152 1HG2 ILE 21 21HG ILE 21 -1.448 5.050 3.308 153 2HG2 ILE 21 22HG ILE 21 -0.253 3.754 3.281 154 3HG2 ILE 21 23HG ILE 21 -0.218 5.012 2.044 155 1HD1 ILE 21 11HD ILE 21 2.399 7.518 2.943 156 2HD1 ILE 21 12HD ILE 21 2.122 7.883 4.632 157 3HD1 ILE 21 13HD ILE 21 1.517 8.963 3.394 158 H ILE 22 H ILE 22 2.673 4.764 5.865 159 HA ILE 22 HA ILE 22 3.180 7.280 7.147 160 HB ILE 22 HB ILE 22 2.881 5.747 8.952 161 1HG1 ILE 22 11HG ILE 22 5.829 6.328 8.581 162 2HG1 ILE 22 12HG ILE 22 4.631 7.421 9.261 163 1HG2 ILE 22 21HG ILE 22 5.005 4.024 7.719 164 2HG2 ILE 22 22HG ILE 22 3.279 3.654 7.827 165 3HG2 ILE 22 23HG ILE 22 4.257 3.750 9.297 166 1HD1 ILE 22 11HD ILE 22 5.499 4.799 10.455 167 2HD1 ILE 22 12HD ILE 22 4.325 5.914 11.158 168 3HD1 ILE 22 13HD ILE 22 6.015 6.398 10.982 169 H GLY 23 H GLY 23 5.029 8.240 6.475 170 1HA GLY 23 1HA GLY 23 6.526 6.717 4.520 171 2HA GLY 23 2HA GLY 23 6.486 8.483 4.612 172 H MET 24 H MET 24 8.095 5.693 5.330 173 HA MET 24 HA MET 24 10.134 7.181 6.706 174 1HB MET 24 1HB MET 24 10.357 5.443 8.527 175 2HB MET 24 2HB MET 24 8.984 6.533 8.660 176 1HG MET 24 1HG MET 24 7.508 4.836 7.869 177 2HG MET 24 2HG MET 24 8.826 3.716 7.583 178 1HE MET 24 1HE MET 24 10.685 4.241 10.191 179 2HE MET 24 2HE MET 24 10.320 2.646 9.538 180 3HE MET 24 3HE MET 24 10.073 2.975 11.251 181 H GLY 25 H GLY 25 11.552 6.946 5.211 182 1HA GLY 25 1HA GLY 25 12.044 4.792 3.538 183 2HA GLY 25 2HA GLY 25 13.244 5.990 3.993 184 H VAL 26 H VAL 26 12.362 2.805 4.145 185 HA VAL 26 HA VAL 26 13.507 2.179 6.651 186 HB VAL 26 HB VAL 26 11.630 0.873 5.906 187 1HG1 VAL 26 11HG VAL 26 11.755 -0.769 4.095 188 2HG1 VAL 26 12HG VAL 26 13.348 -0.149 3.663 189 3HG1 VAL 26 13HG VAL 26 11.930 0.889 3.519 190 1HG2 VAL 26 21HG VAL 26 12.470 -1.412 6.315 191 2HG2 VAL 26 22HG VAL 26 13.126 -0.226 7.440 192 3HG2 VAL 26 23HG VAL 26 14.118 -0.819 6.106 193 H GLY 27 H GLY 27 15.527 2.912 6.637 194 1HA GLY 27 1HA GLY 27 17.725 2.357 6.922 195 2HA GLY 27 2HA GLY 27 17.399 0.846 6.113 196 H ALA 28 H ALA 28 17.059 1.081 3.716 197 HA ALA 28 HA ALA 28 18.148 1.234 1.723 198 1HB ALA 28 1HB ALA 28 18.883 4.022 2.686 199 2HB ALA 28 2HB ALA 28 17.421 3.599 1.795 200 3HB ALA 28 3HB ALA 28 19.000 3.454 1.015 201 H ASP 29 H ASP 29 19.314 0.255 4.068 202 HA ASP 29 HA ASP 29 22.173 0.883 3.887 203 1HB ASP 29 1HB ASP 29 21.129 1.153 6.068 204 2HB ASP 29 2HB ASP 29 20.572 -0.512 6.014 205 H ALA 30 H ALA 30 19.898 -1.817 3.996 206 HA ALA 30 HA ALA 30 21.764 -3.892 3.885 207 1HB ALA 30 1HB ALA 30 19.424 -4.198 4.541 208 2HB ALA 30 2HB ALA 30 19.894 -5.320 3.260 209 3HB ALA 30 3HB ALA 30 18.925 -3.898 2.878 210 H GLY 31 H GLY 31 20.468 -1.895 1.369 211 1HA GLY 31 1HA GLY 31 21.904 -1.737 -0.645 212 2HA GLY 31 2HA GLY 31 21.987 -3.497 -0.585 213 H LEU 32 H LEU 32 19.101 -3.480 0.223 214 HA LEU 32 HA LEU 32 18.054 -3.877 -2.361 215 1HB LEU 32 1HB LEU 32 16.680 -3.732 0.339 216 2HB LEU 32 2HB LEU 32 15.839 -4.114 -1.145 217 HG LEU 32 HG LEU 32 17.294 -6.147 -1.379 218 1HD1 LEU 32 11HD LEU 32 19.191 -5.469 -0.022 219 2HD1 LEU 32 12HD LEU 32 18.509 -7.001 0.540 220 3HD1 LEU 32 13HD LEU 32 18.180 -5.512 1.422 221 1HD2 LEU 32 21HD LEU 32 15.623 -5.943 1.114 222 2HD2 LEU 32 22HD LEU 32 16.154 -7.448 0.366 223 3HD2 LEU 32 23HD LEU 32 15.066 -6.371 -0.501 224 H GLU 33 H GLU 33 17.506 -1.426 0.115 225 HA GLU 33 HA GLU 33 16.844 0.718 0.083 226 1HB GLU 33 1HB GLU 33 17.992 0.707 -2.702 227 2HB GLU 33 2HB GLU 33 17.637 2.134 -1.746 228 1HG GLU 33 1HG GLU 33 19.344 1.487 -0.135 229 2HG GLU 33 2HG GLU 33 19.672 0.025 -1.067 230 H LYS 34 H LYS 34 14.680 -0.151 0.111 231 HA LYS 34 HA LYS 34 13.249 0.560 -2.352 232 1HB LYS 34 1HB LYS 34 11.547 -0.984 -1.812 233 2HB LYS 34 2HB LYS 34 13.014 -1.815 -1.324 234 1HG LYS 34 1HG LYS 34 12.491 -0.960 1.080 235 2HG LYS 34 2HG LYS 34 11.006 -0.428 0.398 236 1HD LYS 34 1HD LYS 34 10.716 -2.574 1.500 237 2HD LYS 34 2HD LYS 34 10.323 -2.632 -0.214 238 1HE LYS 34 1HE LYS 34 12.400 -3.688 -0.704 239 2HE LYS 34 2HE LYS 34 12.941 -3.535 0.973 240 1HZ LYS 34 1HZ LYS 34 10.600 -5.146 0.056 241 2HZ LYS 34 2HZ LYS 34 11.146 -4.996 1.638 242 3HZ LYS 34 3HZ LYS 34 12.109 -5.766 0.496 243 H LEU 35 H LEU 35 10.973 1.373 -1.732 244 HA LEU 35 HA LEU 35 10.912 3.756 -0.391 245 1HB LEU 35 1HB LEU 35 8.555 3.588 -0.435 246 2HB LEU 35 2HB LEU 35 9.193 2.844 -1.892 247 HG LEU 35 HG LEU 35 8.547 1.103 0.455 248 1HD1 LEU 35 11HD LEU 35 6.584 2.088 -1.572 249 2HD1 LEU 35 12HD LEU 35 6.634 2.468 0.169 250 3HD1 LEU 35 13HD LEU 35 6.349 0.810 -0.365 251 1HD2 LEU 35 21HD LEU 35 8.392 0.702 -2.514 252 2HD2 LEU 35 22HD LEU 35 8.040 -0.521 -1.290 253 3HD2 LEU 35 23HD LEU 35 9.681 0.101 -1.464 254 H GLY 36 H GLY 36 9.544 4.229 1.534 255 1HA GLY 36 1HA GLY 36 9.603 2.123 3.553 256 2HA GLY 36 2HA GLY 36 10.142 3.761 3.923 257 H ILE 37 H ILE 37 7.463 3.032 1.799 258 HA ILE 37 HA ILE 37 5.798 4.504 3.657 259 HB ILE 37 HB ILE 37 4.964 3.451 0.940 260 1HG1 ILE 37 11HG ILE 37 6.882 5.090 0.961 261 2HG1 ILE 37 12HG ILE 37 5.481 5.635 0.006 262 1HG2 ILE 37 21HG ILE 37 3.135 5.117 1.196 263 2HG2 ILE 37 22HG ILE 37 3.741 5.487 2.819 264 3HG2 ILE 37 23HG ILE 37 3.113 3.891 2.469 265 1HD1 ILE 37 11HD ILE 37 4.913 6.990 2.081 266 2HD1 ILE 37 12HD ILE 37 6.357 7.457 1.193 267 3HD1 ILE 37 13HD ILE 37 6.513 6.512 2.678 268 H PHE 38 H PHE 38 5.234 3.318 5.194 269 HA PHE 38 HA PHE 38 4.346 0.573 4.712 270 1HB PHE 38 1HB PHE 38 5.019 2.028 7.256 271 2HB PHE 38 2HB PHE 38 4.446 0.364 7.192 272 HD1 PHE 38 HD1 PHE 38 7.292 2.547 6.907 273 HD2 PHE 38 HD2 PHE 38 5.845 -1.358 6.060 274 HE1 PHE 38 HE1 PHE 38 9.599 1.766 6.633 275 HE2 PHE 38 HE2 PHE 38 8.138 -2.159 5.775 276 HZ PHE 38 HZ PHE 38 10.034 -0.603 6.063 277 H VAL 39 H VAL 39 2.427 -0.124 5.848 278 HA VAL 39 HA VAL 39 0.394 1.856 5.567 279 HB VAL 39 HB VAL 39 0.174 -0.986 6.613 280 1HG1 VAL 39 11HG VAL 39 -1.893 0.912 5.515 281 2HG1 VAL 39 12HG VAL 39 -1.715 0.430 7.204 282 3HG1 VAL 39 13HG VAL 39 -2.186 -0.760 5.989 283 1HG2 VAL 39 21HG VAL 39 -0.557 -1.589 4.340 284 2HG2 VAL 39 22HG VAL 39 1.097 -0.969 4.347 285 3HG2 VAL 39 23HG VAL 39 -0.220 0.059 3.808 286 H LYS 40 H LYS 40 -0.246 3.088 7.116 287 HA LYS 40 HA LYS 40 1.018 2.976 9.712 288 1HB LYS 40 1HB LYS 40 0.800 5.103 8.599 289 2HB LYS 40 2HB LYS 40 -0.919 4.870 8.402 290 1HG LYS 40 1HG LYS 40 -0.562 6.477 10.099 291 2HG LYS 40 2HG LYS 40 -1.161 5.007 10.859 292 1HD LYS 40 1HD LYS 40 1.103 4.444 11.554 293 2HD LYS 40 2HD LYS 40 1.714 5.906 10.761 294 1HE LYS 40 1HE LYS 40 0.219 7.245 12.147 295 2HE LYS 40 2HE LYS 40 -0.281 5.762 12.978 296 1HZ LYS 40 1HZ LYS 40 1.992 5.487 13.764 297 2HZ LYS 40 2HZ LYS 40 1.391 6.985 14.221 298 3HZ LYS 40 3HZ LYS 40 2.477 6.890 12.943 299 H THR 41 H THR 41 -2.262 2.887 8.376 300 HA THR 41 HA THR 41 -3.144 1.276 10.585 301 HB THR 41 HB THR 41 -4.790 3.597 9.886 302 HG1 THR 41 HG1 THR 41 -2.573 3.571 11.735 303 1HG2 THR 41 21HG THR 41 -4.364 2.086 12.457 304 2HG2 THR 41 22HG THR 41 -5.742 1.957 11.348 305 3HG2 THR 41 23HG THR 41 -5.473 3.446 12.266 306 H VAL 42 H VAL 42 -5.361 0.500 9.970 307 HA VAL 42 HA VAL 42 -6.194 1.077 7.255 308 HB VAL 42 HB VAL 42 -6.111 -1.736 8.461 309 1HG1 VAL 42 11HG VAL 42 -6.854 -2.504 6.277 310 2HG1 VAL 42 12HG VAL 42 -6.840 -0.839 5.704 311 3HG1 VAL 42 13HG VAL 42 -7.988 -1.320 6.954 312 1HG2 VAL 42 21HG VAL 42 -4.475 -2.312 6.751 313 2HG2 VAL 42 22HG VAL 42 -3.866 -1.036 7.812 314 3HG2 VAL 42 23HG VAL 42 -4.458 -0.639 6.200 315 H THR 43 H THR 43 -8.505 1.055 7.163 316 HA THR 43 HA THR 43 -9.945 1.482 9.454 317 HB THR 43 HB THR 43 -10.810 1.981 7.137 318 HG1 THR 43 HG1 THR 43 -12.732 1.908 7.975 319 1HG2 THR 43 21HG THR 43 -10.082 -0.069 6.061 320 2HG2 THR 43 22HG THR 43 -11.852 0.098 5.878 321 3HG2 THR 43 23HG THR 43 -11.156 -0.950 7.141 322 H GLU 44 H GLU 44 -10.914 0.184 10.832 323 HA GLU 44 HA GLU 44 -9.764 -2.262 11.530 324 1HB GLU 44 1HB GLU 44 -10.781 -0.741 13.141 325 2HB GLU 44 2HB GLU 44 -12.370 -1.064 12.482 326 1HG GLU 44 1HG GLU 44 -12.056 -2.237 14.562 327 2HG GLU 44 2HG GLU 44 -12.205 -3.380 13.229 328 H GLY 45 H GLY 45 -13.088 -1.732 10.502 329 1HA GLY 45 1HA GLY 45 -12.934 -4.244 9.062 330 2HA GLY 45 2HA GLY 45 -14.196 -4.108 10.299 331 H GLY 46 H GLY 46 -13.004 -1.653 8.122 332 1HA GLY 46 1HA GLY 46 -15.564 -0.937 7.144 333 2HA GLY 46 2HA GLY 46 -14.043 -0.548 6.341 334 H ALA 47 H ALA 47 -13.030 -2.905 5.813 335 HA ALA 47 HA ALA 47 -14.384 -5.023 4.810 336 1HB ALA 47 1HB ALA 47 -14.653 -4.697 2.397 337 2HB ALA 47 2HB ALA 47 -14.054 -3.054 2.522 338 3HB ALA 47 3HB ALA 47 -15.603 -3.481 3.252 339 H ALA 48 H ALA 48 -11.714 -2.831 4.564 340 HA ALA 48 HA ALA 48 -10.047 -4.323 2.811 341 1HB ALA 48 1HB ALA 48 -9.566 -1.985 3.281 342 2HB ALA 48 2HB ALA 48 -8.189 -2.986 3.741 343 3HB ALA 48 3HB ALA 48 -9.279 -2.368 4.977 344 H GLN 49 H GLN 49 -9.988 -4.057 6.319 345 HA GLN 49 HA GLN 49 -8.223 -6.288 6.532 346 1HB GLN 49 1HB GLN 49 -9.773 -4.706 8.482 347 2HB GLN 49 2HB GLN 49 -8.768 -6.075 9.019 348 1HG GLN 49 1HG GLN 49 -6.873 -4.836 7.816 349 2HG GLN 49 2HG GLN 49 -7.999 -3.476 7.747 350 1HE2 GLN 49 21HE GLN 49 -8.571 -2.463 9.635 351 2HE2 GLN 49 22HE GLN 49 -7.703 -2.620 11.103 352 H ARG 50 H ARG 50 -11.471 -6.106 5.936 353 HA ARG 50 HA ARG 50 -11.961 -8.594 7.286 354 1HB ARG 50 1HB ARG 50 -13.867 -6.895 5.692 355 2HB ARG 50 2HB ARG 50 -14.306 -8.413 6.473 356 1HG ARG 50 1HG ARG 50 -13.176 -6.029 7.834 357 2HG ARG 50 2HG ARG 50 -14.909 -6.443 7.847 358 1HD ARG 50 1HD ARG 50 -14.312 -8.535 9.048 359 2HD ARG 50 2HD ARG 50 -12.610 -8.074 8.999 360 HE ARG 50 HE ARG 50 -14.574 -6.363 10.294 361 1HH1 ARG 50 11HH ARG 50 -11.655 -8.459 10.599 362 2HH1 ARG 50 12HH ARG 50 -11.269 -7.887 12.145 363 1HH2 ARG 50 21HH ARG 50 -13.953 -5.606 12.440 364 2HH2 ARG 50 22HH ARG 50 -12.580 -6.253 13.205 365 H ASP 51 H ASP 51 -11.255 -7.342 4.142 366 HA ASP 51 HA ASP 51 -11.746 -9.642 2.612 367 1HB ASP 51 1HB ASP 51 -10.990 -7.578 1.545 368 2HB ASP 51 2HB ASP 51 -9.439 -7.658 2.375 369 H GLY 52 H GLY 52 -8.783 -8.654 4.242 370 1HA GLY 52 1HA GLY 52 -7.712 -10.117 5.792 371 2HA GLY 52 2HA GLY 52 -8.310 -11.480 4.865 372 H ARG 53 H ARG 53 -7.374 -10.082 2.277 373 HA ARG 53 HA ARG 53 -4.824 -11.395 2.309 374 1HB ARG 53 1HB ARG 53 -6.604 -10.787 0.338 375 2HB ARG 53 2HB ARG 53 -5.431 -9.511 0.108 376 1HG ARG 53 1HG ARG 53 -4.892 -12.486 -0.030 377 2HG ARG 53 2HG ARG 53 -4.975 -11.371 -1.385 378 1HD ARG 53 1HD ARG 53 -2.995 -10.183 -0.417 379 2HD ARG 53 2HD ARG 53 -2.908 -11.439 0.809 380 HE ARG 53 HE ARG 53 -2.885 -12.331 -1.945 381 1HH1 ARG 53 11HH ARG 53 -0.956 -11.631 0.950 382 2HH1 ARG 53 12HH ARG 53 0.432 -12.423 0.363 383 1HH2 ARG 53 21HH ARG 53 -0.933 -13.386 -2.743 384 2HH2 ARG 53 22HH ARG 53 0.486 -13.397 -1.814 385 H ILE 54 H ILE 54 -5.912 -8.117 2.643 386 HA ILE 54 HA ILE 54 -3.160 -7.132 2.509 387 HB ILE 54 HB ILE 54 -5.055 -5.942 1.273 388 1HG1 ILE 54 11HG ILE 54 -3.628 -4.259 3.344 389 2HG1 ILE 54 12HG ILE 54 -2.885 -4.859 1.864 390 1HG2 ILE 54 21HG ILE 54 -6.479 -4.429 2.643 391 2HG2 ILE 54 22HG ILE 54 -5.830 -5.218 4.090 392 3HG2 ILE 54 23HG ILE 54 -6.794 -6.143 2.944 393 1HD1 ILE 54 11HD ILE 54 -5.275 -3.041 1.990 394 2HD1 ILE 54 12HD ILE 54 -4.443 -3.603 0.536 395 3HD1 ILE 54 13HD ILE 54 -3.609 -2.527 1.656 396 H GLN 55 H GLN 55 -2.177 -6.063 4.347 397 HA GLN 55 HA GLN 55 -3.756 -6.158 6.748 398 1HB GLN 55 1HB GLN 55 -0.952 -7.260 6.497 399 2HB GLN 55 2HB GLN 55 -1.773 -6.996 8.026 400 1HG GLN 55 1HG GLN 55 -3.448 -8.628 7.425 401 2HG GLN 55 2HG GLN 55 -2.687 -8.868 5.855 402 1HE2 GLN 55 21HE GLN 55 -3.209 -10.723 8.016 403 2HE2 GLN 55 22HE GLN 55 -1.697 -11.419 8.466 404 H VAL 56 H VAL 56 -2.759 -4.898 8.490 405 HA VAL 56 HA VAL 56 -1.986 -2.275 7.611 406 HB VAL 56 HB VAL 56 -3.506 -2.767 9.537 407 1HG1 VAL 56 11HG VAL 56 -2.596 -3.365 11.719 408 2HG1 VAL 56 12HG VAL 56 -1.021 -3.628 10.966 409 3HG1 VAL 56 13HG VAL 56 -2.386 -4.643 10.518 410 1HG2 VAL 56 21HG VAL 56 -2.624 -1.016 11.063 411 2HG2 VAL 56 22HG VAL 56 -2.552 -0.532 9.381 412 3HG2 VAL 56 23HG VAL 56 -1.088 -1.074 10.203 413 H ASN 57 H ASN 57 -0.267 -5.022 8.414 414 HA ASN 57 HA ASN 57 2.061 -3.519 9.359 415 1HB ASN 57 1HB ASN 57 2.971 -5.525 10.180 416 2HB ASN 57 2HB ASN 57 1.243 -5.567 10.523 417 1HD2 ASN 57 21HD ASN 57 0.645 -6.420 7.637 418 2HD2 ASN 57 22HD ASN 57 1.101 -8.064 7.621 419 H ASP 58 H ASP 58 0.966 -3.914 6.547 420 HA ASP 58 HA ASP 58 3.369 -4.954 5.278 421 1HB ASP 58 1HB ASP 58 0.589 -4.495 4.204 422 2HB ASP 58 2HB ASP 58 1.958 -4.868 3.163 423 H GLN 59 H GLN 59 3.355 -3.772 2.896 424 HA GLN 59 HA GLN 59 3.688 -0.925 3.381 425 1HB GLN 59 1HB GLN 59 5.864 -1.868 3.710 426 2HB GLN 59 2HB GLN 59 5.670 -2.919 2.316 427 1HG GLN 59 1HG GLN 59 5.784 -1.030 0.839 428 2HG GLN 59 2HG GLN 59 5.879 0.070 2.216 429 1HE2 GLN 59 21HE GLN 59 7.766 0.250 3.314 430 2HE2 GLN 59 22HE GLN 59 9.263 -0.392 2.716 431 H ILE 60 H ILE 60 3.006 0.265 1.634 432 HA ILE 60 HA ILE 60 1.567 -1.110 -0.472 433 HB ILE 60 HB ILE 60 2.110 1.855 -0.183 434 1HG1 ILE 60 11HG ILE 60 0.911 1.083 1.832 435 2HG1 ILE 60 12HG ILE 60 -0.127 2.049 0.789 436 1HG2 ILE 60 21HG ILE 60 1.426 1.133 -2.399 437 2HG2 ILE 60 22HG ILE 60 0.142 2.084 -1.627 438 3HG2 ILE 60 23HG ILE 60 0.026 0.326 -1.703 439 1HD1 ILE 60 11HD ILE 60 -1.190 0.011 -0.041 440 2HD1 ILE 60 12HD ILE 60 -1.332 0.166 1.710 441 3HD1 ILE 60 13HD ILE 60 -0.149 -0.946 1.017 442 H VAL 61 H VAL 61 2.635 -1.824 -2.239 443 HA VAL 61 HA VAL 61 5.186 -0.570 -2.965 444 HB VAL 61 HB VAL 61 3.875 -3.136 -3.925 445 1HG1 VAL 61 11HG VAL 61 5.955 -3.702 -4.960 446 2HG1 VAL 61 12HG VAL 61 6.652 -2.137 -4.509 447 3HG1 VAL 61 13HG VAL 61 5.304 -2.217 -5.658 448 1HG2 VAL 61 21HG VAL 61 4.586 -3.260 -1.610 449 2HG2 VAL 61 22HG VAL 61 6.206 -2.719 -2.060 450 3HG2 VAL 61 23HG VAL 61 5.601 -4.276 -2.631 451 H GLU 62 H GLU 62 2.159 -1.530 -4.501 452 HA GLU 62 HA GLU 62 2.391 0.717 -6.336 453 1HB GLU 62 1HB GLU 62 3.540 -0.980 -7.577 454 2HB GLU 62 2HB GLU 62 2.303 -2.174 -7.322 455 1HG GLU 62 1HG GLU 62 0.774 -0.483 -8.583 456 2HG GLU 62 2HG GLU 62 2.303 0.223 -9.102 457 H VAL 63 H VAL 63 0.490 1.674 -5.918 458 HA VAL 63 HA VAL 63 -1.857 -0.041 -5.839 459 HB VAL 63 HB VAL 63 -1.316 2.653 -4.574 460 1HG1 VAL 63 11HG VAL 63 -3.282 3.034 -5.973 461 2HG1 VAL 63 12HG VAL 63 -3.729 2.989 -4.252 462 3HG1 VAL 63 13HG VAL 63 -4.065 1.602 -5.298 463 1HG2 VAL 63 21HG VAL 63 -1.131 0.516 -3.365 464 2HG2 VAL 63 22HG VAL 63 -2.826 0.205 -3.722 465 3HG2 VAL 63 23HG VAL 63 -2.380 1.582 -2.718 466 H ASP 64 H ASP 64 -3.127 -0.157 -7.404 467 HA ASP 64 HA ASP 64 -4.289 0.220 -9.278 468 1HB ASP 64 1HB ASP 64 -5.036 2.202 -7.979 469 2HB ASP 64 2HB ASP 64 -3.768 3.154 -8.734 470 H GLY 65 H GLY 65 -1.296 0.102 -9.329 471 1HA GLY 65 1HA GLY 65 0.214 -0.177 -11.069 472 2HA GLY 65 2HA GLY 65 -0.971 0.544 -12.152 473 H ILE 66 H ILE 66 -0.498 2.509 -9.453 474 HA ILE 66 HA ILE 66 0.719 4.475 -11.104 475 HB ILE 66 HB ILE 66 -0.974 4.754 -9.028 476 1HG1 ILE 66 11HG ILE 66 1.295 6.682 -9.567 477 2HG1 ILE 66 12HG ILE 66 -0.145 6.515 -10.573 478 1HG2 ILE 66 21HG ILE 66 1.726 5.007 -7.734 479 2HG2 ILE 66 22HG ILE 66 0.494 3.799 -7.359 480 3HG2 ILE 66 23HG ILE 66 0.193 5.510 -7.025 481 1HD1 ILE 66 11HD ILE 66 -0.348 8.430 -9.136 482 2HD1 ILE 66 12HD ILE 66 -0.009 7.413 -7.735 483 3HD1 ILE 66 13HD ILE 66 -1.508 7.184 -8.643 484 H SER 67 H SER 67 1.945 1.997 -9.242 485 HA SER 67 HA SER 67 3.854 1.432 -8.229 486 1HB SER 67 1HB SER 67 4.786 2.951 -10.589 487 2HB SER 67 2HB SER 67 5.782 1.747 -9.718 488 HG SER 67 HG SER 67 4.008 1.379 -11.670 489 H LEU 68 H LEU 68 3.586 2.653 -6.330 490 HA LEU 68 HA LEU 68 4.939 5.234 -6.257 491 1HB LEU 68 1HB LEU 68 3.788 5.569 -4.138 492 2HB LEU 68 2HB LEU 68 2.667 5.169 -5.420 493 HG LEU 68 HG LEU 68 3.206 2.735 -4.284 494 1HD1 LEU 68 11HD LEU 68 2.925 3.022 -1.880 495 2HD1 LEU 68 12HD LEU 68 3.009 4.776 -2.083 496 3HD1 LEU 68 13HD LEU 68 4.411 3.782 -2.457 497 1HD2 LEU 68 21HD LEU 68 0.945 2.939 -3.397 498 2HD2 LEU 68 22HD LEU 68 1.111 3.519 -5.053 499 3HD2 LEU 68 23HD LEU 68 0.990 4.683 -3.722 500 H VAL 69 H VAL 69 5.815 2.337 -6.099 501 HA VAL 69 HA VAL 69 7.345 1.948 -3.836 502 HB VAL 69 HB VAL 69 6.975 0.143 -5.413 503 1HG1 VAL 69 11HG VAL 69 8.638 1.637 -7.421 504 2HG1 VAL 69 12HG VAL 69 6.901 1.333 -7.490 505 3HG1 VAL 69 13HG VAL 69 8.034 -0.011 -7.608 506 1HG2 VAL 69 21HG VAL 69 8.951 -0.195 -4.104 507 2HG2 VAL 69 22HG VAL 69 9.906 0.798 -5.204 508 3HG2 VAL 69 23HG VAL 69 9.282 -0.759 -5.741 509 H GLY 70 H GLY 70 8.270 3.767 -3.138 510 1HA GLY 70 1HA GLY 70 10.587 4.588 -2.878 511 2HA GLY 70 2HA GLY 70 10.631 4.730 -4.627 512 H VAL 71 H VAL 71 7.733 5.691 -3.035 513 HA VAL 71 HA VAL 71 8.437 8.475 -3.667 514 HB VAL 71 HB VAL 71 6.079 9.014 -3.729 515 1HG1 VAL 71 11HG VAL 71 7.037 8.159 -5.763 516 2HG1 VAL 71 12HG VAL 71 5.358 7.637 -5.608 517 3HG1 VAL 71 13HG VAL 71 6.669 6.506 -5.269 518 1HG2 VAL 71 21HG VAL 71 4.339 7.339 -3.363 519 2HG2 VAL 71 22HG VAL 71 5.321 7.544 -1.916 520 3HG2 VAL 71 23HG VAL 71 5.564 6.137 -2.952 521 H THR 72 H THR 72 7.093 10.076 -2.218 522 HA THR 72 HA THR 72 7.784 9.500 0.537 523 HB THR 72 HB THR 72 7.031 11.987 0.674 524 HG1 THR 72 HG1 THR 72 7.831 12.128 -1.982 525 1HG2 THR 72 21HG THR 72 9.370 11.264 0.921 526 2HG2 THR 72 22HG THR 72 9.290 12.734 -0.048 527 3HG2 THR 72 23HG THR 72 9.539 11.173 -0.830 528 H GLN 73 H GLN 73 6.194 10.500 2.124 529 HA GLN 73 HA GLN 73 3.866 8.957 1.920 530 1HB GLN 73 1HB GLN 73 3.449 9.461 4.140 531 2HB GLN 73 2HB GLN 73 5.134 9.908 4.051 532 1HG GLN 73 1HG GLN 73 2.839 11.820 3.811 533 2HG GLN 73 2HG GLN 73 3.710 11.499 5.302 534 1HE2 GLN 73 21HE GLN 73 6.305 11.329 4.039 535 2HE2 GLN 73 22HE GLN 73 6.711 12.914 3.554 536 H ASN 74 H ASN 74 4.538 12.224 1.053 537 HA ASN 74 HA ASN 74 1.804 13.045 0.959 538 1HB ASN 74 1HB ASN 74 2.575 15.025 -0.317 539 2HB ASN 74 2HB ASN 74 3.531 14.778 1.140 540 1HD2 ASN 74 21HD ASN 74 5.704 14.352 0.947 541 2HD2 ASN 74 22HD ASN 74 6.519 14.348 -0.566 542 H PHE 75 H PHE 75 3.934 11.445 -1.263 543 HA PHE 75 HA PHE 75 2.151 11.790 -3.476 544 1HB PHE 75 1HB PHE 75 4.611 11.348 -3.753 545 2HB PHE 75 2HB PHE 75 4.320 9.736 -3.114 546 HD1 PHE 75 HD1 PHE 75 4.218 11.823 -6.045 547 HD2 PHE 75 HD2 PHE 75 2.838 8.144 -4.420 548 HE1 PHE 75 HE1 PHE 75 3.711 11.003 -8.304 549 HE2 PHE 75 HE2 PHE 75 2.338 7.324 -6.649 550 HZ PHE 75 HZ PHE 75 2.766 8.751 -8.619 551 H ALA 76 H ALA 76 3.086 9.175 -1.289 552 HA ALA 76 HA ALA 76 1.389 7.213 -2.244 553 1HB ALA 76 1HB ALA 76 2.334 7.566 0.587 554 2HB ALA 76 2HB ALA 76 3.242 6.807 -0.724 555 3HB ALA 76 3HB ALA 76 1.742 6.075 -0.152 556 H ALA 77 H ALA 77 0.763 9.501 0.452 557 HA ALA 77 HA ALA 77 -1.757 8.497 1.112 558 1HB ALA 77 1HB ALA 77 -2.153 10.652 2.216 559 2HB ALA 77 2HB ALA 77 -0.754 11.327 1.376 560 3HB ALA 77 3HB ALA 77 -0.534 10.038 2.558 561 H THR 78 H THR 78 -0.784 10.831 -1.318 562 HA THR 78 HA THR 78 -3.353 11.686 -2.091 563 HB THR 78 HB THR 78 -0.801 11.452 -3.648 564 HG1 THR 78 HG1 THR 78 -0.429 12.985 -2.132 565 1HG2 THR 78 21HG THR 78 -2.651 11.559 -5.167 566 2HG2 THR 78 22HG THR 78 -1.762 13.091 -5.229 567 3HG2 THR 78 23HG THR 78 -3.301 12.985 -4.356 568 H VAL 79 H VAL 79 -1.327 9.008 -3.198 569 HA VAL 79 HA VAL 79 -3.050 8.058 -5.220 570 HB VAL 79 HB VAL 79 -1.208 6.346 -3.544 571 1HG1 VAL 79 11HG VAL 79 -2.203 5.993 -6.375 572 2HG1 VAL 79 12HG VAL 79 -2.845 5.180 -4.967 573 3HG1 VAL 79 13HG VAL 79 -1.185 4.866 -5.469 574 1HG2 VAL 79 21HG VAL 79 0.043 8.213 -4.380 575 2HG2 VAL 79 22HG VAL 79 -0.643 8.001 -5.977 576 3HG2 VAL 79 23HG VAL 79 0.466 6.780 -5.324 577 H LEU 80 H LEU 80 -2.603 6.977 -1.868 578 HA LEU 80 HA LEU 80 -4.736 5.148 -1.914 579 1HB LEU 80 1HB LEU 80 -3.298 6.462 0.388 580 2HB LEU 80 2HB LEU 80 -4.632 5.370 0.656 581 HG LEU 80 HG LEU 80 -2.645 4.132 1.020 582 1HD1 LEU 80 11HD LEU 80 -4.359 2.942 -0.166 583 2HD1 LEU 80 12HD LEU 80 -2.745 2.351 -0.564 584 3HD1 LEU 80 13HD LEU 80 -3.614 3.372 -1.706 585 1HD2 LEU 80 21HD LEU 80 -1.653 4.985 -1.692 586 2HD2 LEU 80 22HD LEU 80 -0.847 3.854 -0.602 587 3HD2 LEU 80 23HD LEU 80 -1.035 5.549 -0.143 588 H ARG 81 H ARG 81 -4.763 8.527 -1.645 589 HA ARG 81 HA ARG 81 -7.480 8.679 -0.672 590 1HB ARG 81 1HB ARG 81 -5.923 10.425 0.004 591 2HB ARG 81 2HB ARG 81 -5.505 10.766 -1.653 592 1HG ARG 81 1HG ARG 81 -8.302 11.214 -0.687 593 2HG ARG 81 2HG ARG 81 -7.039 12.393 -0.338 594 1HD ARG 81 1HD ARG 81 -6.597 12.683 -2.675 595 2HD ARG 81 2HD ARG 81 -7.698 11.400 -3.108 596 HE ARG 81 HE ARG 81 -8.497 14.018 -1.996 597 1HH1 ARG 81 11HH ARG 81 -9.485 10.962 -3.541 598 2HH1 ARG 81 12HH ARG 81 -10.975 11.560 -4.090 599 1HH2 ARG 81 21HH ARG 81 -10.572 14.813 -2.711 600 2HH2 ARG 81 22HH ARG 81 -11.635 13.807 -3.588 601 H ASN 82 H ASN 82 -5.852 8.515 -3.699 602 HA ASN 82 HA ASN 82 -8.132 9.445 -5.246 603 1HB ASN 82 1HB ASN 82 -5.306 8.841 -5.868 604 2HB ASN 82 2HB ASN 82 -6.481 8.588 -7.162 605 1HD2 ASN 82 21HD ASN 82 -5.114 10.923 -4.973 606 2HD2 ASN 82 22HD ASN 82 -5.651 12.316 -5.857 607 H THR 83 H THR 83 -7.587 6.756 -3.738 608 HA THR 83 HA THR 83 -8.134 4.785 -5.697 609 HB THR 83 HB THR 83 -8.605 3.367 -3.679 610 HG1 THR 83 HG1 THR 83 -7.563 5.172 -1.891 611 1HG2 THR 83 21HG THR 83 -6.014 4.937 -3.649 612 2HG2 THR 83 22HG THR 83 -6.347 3.543 -4.667 613 3HG2 THR 83 23HG THR 83 -6.257 3.348 -2.924 614 H LYS 84 H LYS 84 -10.127 3.275 -4.938 615 HA LYS 84 HA LYS 84 -12.473 4.635 -4.251 616 1HB LYS 84 1HB LYS 84 -13.667 3.907 -6.419 617 2HB LYS 84 2HB LYS 84 -12.652 5.328 -6.507 618 1HG LYS 84 1HG LYS 84 -12.318 4.106 -8.506 619 2HG LYS 84 2HG LYS 84 -10.886 3.877 -7.506 620 1HD LYS 84 1HD LYS 84 -11.535 1.665 -6.936 621 2HD LYS 84 2HD LYS 84 -13.151 1.901 -7.598 622 1HE LYS 84 1HE LYS 84 -10.595 1.907 -9.209 623 2HE LYS 84 2HE LYS 84 -11.695 0.539 -9.064 624 1HZ LYS 84 1HZ LYS 84 -13.440 1.935 -10.076 625 2HZ LYS 84 2HZ LYS 84 -12.112 1.761 -11.096 626 3HZ LYS 84 3HZ LYS 84 -12.325 3.179 -10.281 627 H GLY 85 H GLY 85 -14.233 2.583 -5.188 628 1HA GLY 85 1HA GLY 85 -14.101 0.693 -3.233 629 2HA GLY 85 2HA GLY 85 -14.908 0.446 -4.767 630 H ASN 86 H ASN 86 -13.428 -0.333 -6.568 631 HA ASN 86 HA ASN 86 -11.887 -2.546 -5.500 632 1HB ASN 86 1HB ASN 86 -12.496 -1.811 -8.360 633 2HB ASN 86 2HB ASN 86 -11.613 -3.252 -7.880 634 1HD2 ASN 86 21HD ASN 86 -12.760 -4.950 -6.856 635 2HD2 ASN 86 22HD ASN 86 -14.484 -5.023 -6.877 636 H VAL 87 H VAL 87 -9.941 -2.138 -4.812 637 HA VAL 87 HA VAL 87 -8.174 -0.361 -6.406 638 HB VAL 87 HB VAL 87 -7.505 -1.208 -3.675 639 1HG1 VAL 87 11HG VAL 87 -5.871 -0.034 -4.945 640 2HG1 VAL 87 12HG VAL 87 -6.392 0.942 -3.569 641 3HG1 VAL 87 13HG VAL 87 -6.980 1.314 -5.195 642 1HG2 VAL 87 21HG VAL 87 -9.420 1.046 -4.218 643 2HG2 VAL 87 22HG VAL 87 -8.693 0.589 -2.655 644 3HG2 VAL 87 23HG VAL 87 -9.773 -0.524 -3.488 645 H ARG 88 H ARG 88 -6.327 -1.244 -7.128 646 HA ARG 88 HA ARG 88 -5.691 -3.972 -6.295 647 1HB ARG 88 1HB ARG 88 -4.783 -2.304 -8.635 648 2HB ARG 88 2HB ARG 88 -4.191 -3.925 -8.276 649 1HG ARG 88 1HG ARG 88 -6.287 -4.886 -8.618 650 2HG ARG 88 2HG ARG 88 -7.101 -3.317 -8.655 651 1HD ARG 88 1HD ARG 88 -5.917 -2.766 -10.684 652 2HD ARG 88 2HD ARG 88 -5.118 -4.352 -10.660 653 HE ARG 88 HE ARG 88 -7.661 -5.071 -10.631 654 1HH1 ARG 88 11HH ARG 88 -6.148 -2.517 -12.590 655 2HH1 ARG 88 12HH ARG 88 -7.160 -2.743 -13.931 656 1HH2 ARG 88 21HH ARG 88 -9.057 -5.378 -12.486 657 2HH2 ARG 88 22HH ARG 88 -8.870 -4.422 -13.875 658 H PHE 89 H PHE 89 -4.711 -3.810 -4.456 659 HA PHE 89 HA PHE 89 -2.503 -1.947 -4.075 660 1HB PHE 89 1HB PHE 89 -3.622 -4.058 -2.217 661 2HB PHE 89 2HB PHE 89 -2.382 -2.882 -1.831 662 HD1 PHE 89 HD1 PHE 89 -5.931 -3.482 -2.276 663 HD2 PHE 89 HD2 PHE 89 -2.957 -0.569 -1.472 664 HE1 PHE 89 HE1 PHE 89 -7.659 -1.944 -1.443 665 HE2 PHE 89 HE2 PHE 89 -4.669 0.964 -0.644 666 HZ PHE 89 HZ PHE 89 -7.014 0.286 -0.619 667 H VAL 90 H VAL 90 -0.780 -2.702 -5.222 668 HA VAL 90 HA VAL 90 -0.218 -5.519 -5.008 669 HB VAL 90 HB VAL 90 1.194 -3.360 -6.557 670 1HG1 VAL 90 11HG VAL 90 2.718 -5.201 -6.011 671 2HG1 VAL 90 12HG VAL 90 2.341 -5.236 -7.734 672 3HG1 VAL 90 13HG VAL 90 1.553 -6.369 -6.635 673 1HG2 VAL 90 21HG VAL 90 -0.661 -5.514 -7.551 674 2HG2 VAL 90 22HG VAL 90 0.165 -4.317 -8.552 675 3HG2 VAL 90 23HG VAL 90 -1.055 -3.807 -7.389 676 H ILE 91 H ILE 91 0.364 -5.682 -3.038 677 HA ILE 91 HA ILE 91 2.598 -4.167 -1.919 678 HB ILE 91 HB ILE 91 0.338 -5.832 -0.805 679 1HG1 ILE 91 11HG ILE 91 1.104 -2.971 -0.387 680 2HG1 ILE 91 12HG ILE 91 -0.103 -3.516 -1.541 681 1HG2 ILE 91 21HG ILE 91 2.314 -6.348 0.559 682 2HG2 ILE 91 22HG ILE 91 1.102 -5.427 1.441 683 3HG2 ILE 91 23HG ILE 91 2.559 -4.620 0.847 684 1HD1 ILE 91 11HD ILE 91 -1.069 -2.654 0.385 685 2HD1 ILE 91 12HD ILE 91 -0.185 -3.820 1.408 686 3HD1 ILE 91 13HD ILE 91 -1.400 -4.386 0.210 687 H GLY 92 H GLY 92 4.177 -5.576 -0.663 688 1HA GLY 92 1HA GLY 92 4.239 -8.260 -1.747 689 2HA GLY 92 2HA GLY 92 5.652 -7.245 -1.956 690 H ARG 93 H ARG 93 5.753 -9.635 -0.616 691 HA ARG 93 HA ARG 93 6.674 -8.784 2.068 692 1HB ARG 93 1HB ARG 93 4.386 -9.859 2.171 693 2HB ARG 93 2HB ARG 93 5.175 -11.331 1.607 694 1HG ARG 93 1HG ARG 93 6.779 -11.088 3.506 695 2HG ARG 93 2HG ARG 93 5.745 -9.797 4.114 696 1HD ARG 93 1HD ARG 93 5.250 -11.735 5.193 697 2HD ARG 93 2HD ARG 93 3.883 -11.355 4.127 698 HE ARG 93 HE ARG 93 5.932 -13.418 3.588 699 1HH1 ARG 93 11HH ARG 93 2.577 -12.291 3.258 700 2HH1 ARG 93 12HH ARG 93 2.068 -13.618 2.339 701 1HH2 ARG 93 21HH ARG 93 5.170 -15.314 2.294 702 2HH2 ARG 93 22HH ARG 93 3.541 -15.359 1.819 703 H GLU 94 H GLU 94 8.518 -9.857 2.666 704 HA GLU 94 HA GLU 94 9.790 -11.444 0.648 705 1HB GLU 94 1HB GLU 94 11.711 -11.457 2.307 706 2HB GLU 94 2HB GLU 94 11.245 -9.880 1.690 707 1HG GLU 94 1HG GLU 94 10.067 -9.393 3.745 708 2HG GLU 94 2HG GLU 94 10.411 -11.012 4.347 Start of MODEL 7 1 1H GLY 1 1H GLY 1 16.778 -14.063 0.325 2 2H GLY 1 2H GLY 1 17.216 -13.169 1.700 3 3H GLY 1 3H GLY 1 16.807 -12.390 0.249 4 1HA GLY 1 1HA GLY 1 14.952 -14.019 1.812 5 2HA GLY 1 2HA GLY 1 15.010 -12.255 1.825 6 H HIS 2 H HIS 2 13.022 -14.379 0.822 7 HA HIS 2 HA HIS 2 12.915 -13.641 -1.999 8 1HB HIS 2 1HB HIS 2 11.139 -15.522 -0.426 9 2HB HIS 2 2HB HIS 2 11.041 -15.242 -2.151 10 HD1 HIS 2 HD1 HIS 2 12.650 -17.380 0.330 11 HD2 HIS 2 HD2 HIS 2 13.327 -16.221 -3.590 12 HE1 HIS 2 HE1 HIS 2 14.302 -19.048 -0.620 13 H MET 3 H MET 3 12.251 -11.486 -1.942 14 HA MET 3 HA MET 3 9.830 -10.917 -0.472 15 1HB MET 3 1HB MET 3 11.608 -9.138 -0.721 16 2HB MET 3 2HB MET 3 11.216 -9.083 -2.435 17 1HG MET 3 1HG MET 3 8.965 -8.389 -1.977 18 2HG MET 3 2HG MET 3 9.216 -8.565 -0.244 19 1HE MET 3 1HE MET 3 7.936 -5.963 -1.414 20 2HE MET 3 2HE MET 3 8.840 -4.719 -0.551 21 3HE MET 3 3HE MET 3 8.325 -6.180 0.291 22 H GLU 4 H GLU 4 8.030 -11.522 -1.183 23 HA GLU 4 HA GLU 4 7.588 -11.999 -4.028 24 1HB GLU 4 1HB GLU 4 7.027 -13.747 -2.321 25 2HB GLU 4 2HB GLU 4 5.913 -12.557 -1.629 26 1HG GLU 4 1HG GLU 4 4.535 -12.606 -3.592 27 2HG GLU 4 2HG GLU 4 5.693 -13.621 -4.436 28 H LEU 5 H LEU 5 6.750 -10.329 -5.101 29 HA LEU 5 HA LEU 5 5.109 -8.411 -3.692 30 1HB LEU 5 1HB LEU 5 6.013 -8.442 -6.580 31 2HB LEU 5 2HB LEU 5 5.193 -7.125 -5.769 32 HG LEU 5 HG LEU 5 7.354 -6.419 -5.901 33 1HD1 LEU 5 11HD LEU 5 7.193 -7.634 -3.205 34 2HD1 LEU 5 12HD LEU 5 6.492 -6.090 -3.708 35 3HD1 LEU 5 13HD LEU 5 8.249 -6.301 -3.675 36 1HD2 LEU 5 21HD LEU 5 8.456 -8.446 -6.640 37 2HD2 LEU 5 22HD LEU 5 8.350 -9.120 -5.014 38 3HD2 LEU 5 23HD LEU 5 9.365 -7.711 -5.320 39 H PHE 6 H PHE 6 2.933 -8.457 -3.841 40 HA PHE 6 HA PHE 6 1.790 -10.106 -5.907 41 1HB PHE 6 1HB PHE 6 0.209 -10.988 -4.124 42 2HB PHE 6 2HB PHE 6 1.798 -11.730 -4.235 43 HD1 PHE 6 HD1 PHE 6 3.296 -11.514 -2.350 44 HD2 PHE 6 HD2 PHE 6 -0.432 -9.521 -2.392 45 HE1 PHE 6 HE1 PHE 6 3.558 -11.052 0.038 46 HE2 PHE 6 HE2 PHE 6 -0.202 -9.025 0.040 47 HZ PHE 6 HZ PHE 6 1.803 -9.795 1.251 48 HA PRO 7 HA PRO 7 -1.196 -6.847 -5.999 49 1HB PRO 7 1HB PRO 7 -2.904 -7.918 -7.648 50 2HB PRO 7 2HB PRO 7 -1.313 -7.395 -8.201 51 1HG PRO 7 1HG PRO 7 -2.251 -10.192 -7.555 52 2HG PRO 7 2HG PRO 7 -1.227 -9.659 -8.912 53 1HD PRO 7 1HD PRO 7 -0.338 -10.775 -6.542 54 2HD PRO 7 2HD PRO 7 0.644 -9.719 -7.594 55 H VAL 8 H VAL 8 -2.533 -6.504 -4.419 56 HA VAL 8 HA VAL 8 -4.464 -8.567 -3.767 57 HB VAL 8 HB VAL 8 -3.813 -6.098 -2.134 58 1HG1 VAL 8 11HG VAL 8 -5.387 -8.554 -1.413 59 2HG1 VAL 8 12HG VAL 8 -6.023 -6.937 -1.714 60 3HG1 VAL 8 13HG VAL 8 -4.985 -7.232 -0.314 61 1HG2 VAL 8 21HG VAL 8 -1.879 -7.517 -2.240 62 2HG2 VAL 8 22HG VAL 8 -2.837 -8.916 -1.734 63 3HG2 VAL 8 23HG VAL 8 -2.574 -7.564 -0.617 64 H GLU 9 H GLU 9 -5.985 -8.186 -5.272 65 HA GLU 9 HA GLU 9 -6.849 -5.507 -5.819 66 1HB GLU 9 1HB GLU 9 -6.661 -7.283 -7.561 67 2HB GLU 9 2HB GLU 9 -7.990 -8.129 -6.783 68 1HG GLU 9 1HG GLU 9 -9.499 -6.378 -7.343 69 2HG GLU 9 2HG GLU 9 -8.180 -5.353 -7.916 70 H LEU 10 H LEU 10 -7.942 -4.595 -4.295 71 HA LEU 10 HA LEU 10 -9.674 -6.170 -2.555 72 1HB LEU 10 1HB LEU 10 -7.751 -4.330 -2.044 73 2HB LEU 10 2HB LEU 10 -9.143 -3.283 -2.193 74 HG LEU 10 HG LEU 10 -8.803 -3.702 0.108 75 1HD1 LEU 10 11HD LEU 10 -10.840 -4.797 0.826 76 2HD1 LEU 10 12HD LEU 10 -11.056 -5.461 -0.789 77 3HD1 LEU 10 13HD LEU 10 -11.130 -3.720 -0.541 78 1HD2 LEU 10 21HD LEU 10 -8.742 -6.636 -0.550 79 2HD2 LEU 10 22HD LEU 10 -8.700 -5.947 1.071 80 3HD2 LEU 10 23HD LEU 10 -7.377 -5.637 -0.052 81 H GLU 11 H GLU 11 -11.877 -5.743 -2.647 82 HA GLU 11 HA GLU 11 -12.679 -3.566 -4.419 83 1HB GLU 11 1HB GLU 11 -13.500 -5.835 -5.056 84 2HB GLU 11 2HB GLU 11 -14.337 -5.930 -3.513 85 1HG GLU 11 1HG GLU 11 -15.697 -4.005 -4.126 86 2HG GLU 11 2HG GLU 11 -14.855 -3.903 -5.673 87 H LYS 12 H LYS 12 -12.643 -1.919 -3.118 88 HA LYS 12 HA LYS 12 -13.729 -2.059 -0.493 89 1HB LYS 12 1HB LYS 12 -12.127 -0.096 -1.975 90 2HB LYS 12 2HB LYS 12 -13.047 0.544 -0.643 91 1HG LYS 12 1HG LYS 12 -10.935 -1.623 -0.624 92 2HG LYS 12 2HG LYS 12 -10.791 -0.004 0.074 93 1HD LYS 12 1HD LYS 12 -13.061 -1.403 1.168 94 2HD LYS 12 2HD LYS 12 -11.602 -2.389 1.373 95 1HE LYS 12 1HE LYS 12 -11.862 -1.152 3.320 96 2HE LYS 12 2HE LYS 12 -10.615 -0.301 2.447 97 1HZ LYS 12 1HZ LYS 12 -13.496 0.513 2.529 98 2HZ LYS 12 2HZ LYS 12 -12.331 1.325 1.675 99 3HZ LYS 12 3HZ LYS 12 -12.265 1.286 3.352 100 H ASP 13 H ASP 13 -14.800 -0.006 0.224 101 HA ASP 13 HA ASP 13 -17.399 0.015 -0.988 102 1HB ASP 13 1HB ASP 13 -17.949 1.106 1.213 103 2HB ASP 13 2HB ASP 13 -17.333 -0.537 1.320 104 H GLU 14 H GLU 14 -18.460 2.256 -0.331 105 HA GLU 14 HA GLU 14 -17.510 4.026 -2.323 106 1HB GLU 14 1HB GLU 14 -19.466 5.408 -1.725 107 2HB GLU 14 2HB GLU 14 -19.870 3.725 -2.018 108 1HG GLU 14 1HG GLU 14 -19.944 3.350 0.423 109 2HG GLU 14 2HG GLU 14 -19.609 5.061 0.669 110 H ASP 15 H ASP 15 -16.765 3.846 0.998 111 HA ASP 15 HA ASP 15 -16.290 6.658 1.397 112 1HB ASP 15 1HB ASP 15 -16.769 5.008 3.239 113 2HB ASP 15 2HB ASP 15 -15.163 4.348 2.991 114 H GLY 16 H GLY 16 -14.557 3.924 0.251 115 1HA GLY 16 1HA GLY 16 -12.713 4.437 -1.303 116 2HA GLY 16 2HA GLY 16 -12.161 5.613 -0.102 117 H LEU 17 H LEU 17 -10.400 4.842 0.893 118 HA LEU 17 HA LEU 17 -10.423 1.968 1.536 119 1HB LEU 17 1HB LEU 17 -8.078 3.784 1.980 120 2HB LEU 17 2HB LEU 17 -8.114 2.040 1.883 121 HG LEU 17 HG LEU 17 -8.389 4.003 -0.289 122 1HD1 LEU 17 11HD LEU 17 -6.324 1.914 0.341 123 2HD1 LEU 17 12HD LEU 17 -6.139 3.668 0.431 124 3HD1 LEU 17 13HD LEU 17 -6.342 2.880 -1.134 125 1HD2 LEU 17 21HD LEU 17 -8.498 2.084 -1.850 126 2HD2 LEU 17 22HD LEU 17 -9.906 2.188 -0.795 127 3HD2 LEU 17 23HD LEU 17 -8.647 0.996 -0.467 128 H GLY 18 H GLY 18 -9.736 5.146 2.857 129 1HA GLY 18 1HA GLY 18 -10.045 5.986 4.944 130 2HA GLY 18 2HA GLY 18 -10.895 4.505 5.381 131 H ILE 19 H ILE 19 -7.684 4.475 4.003 132 HA ILE 19 HA ILE 19 -6.816 3.382 6.580 133 HB ILE 19 HB ILE 19 -5.082 2.126 5.485 134 1HG1 ILE 19 11HG ILE 19 -5.895 3.459 2.893 135 2HG1 ILE 19 12HG ILE 19 -4.467 3.865 3.848 136 1HG2 ILE 19 21HG ILE 19 -7.586 1.949 3.820 137 2HG2 ILE 19 22HG ILE 19 -7.376 1.213 5.389 138 3HG2 ILE 19 23HG ILE 19 -6.390 0.665 4.025 139 1HD1 ILE 19 11HD ILE 19 -3.890 2.425 1.961 140 2HD1 ILE 19 12HD ILE 19 -4.997 1.188 2.564 141 3HD1 ILE 19 13HD ILE 19 -3.573 1.627 3.501 142 H SER 20 H SER 20 -4.196 3.609 6.659 143 HA SER 20 HA SER 20 -3.483 6.418 6.186 144 1HB SER 20 1HB SER 20 -4.476 5.993 8.581 145 2HB SER 20 2HB SER 20 -3.087 4.978 8.809 146 HG SER 20 HG SER 20 -2.599 7.551 7.880 147 H ILE 21 H ILE 21 -1.191 6.698 6.195 148 HA ILE 21 HA ILE 21 0.313 4.197 5.828 149 HB ILE 21 HB ILE 21 1.567 5.272 4.020 150 1HG1 ILE 21 11HG ILE 21 0.179 7.487 3.087 151 2HG1 ILE 21 12HG ILE 21 -0.038 7.629 4.802 152 1HG2 ILE 21 21HG ILE 21 -1.406 5.288 3.543 153 2HG2 ILE 21 22HG ILE 21 -0.320 3.906 3.395 154 3HG2 ILE 21 23HG ILE 21 -0.176 5.265 2.280 155 1HD1 ILE 21 11HD ILE 21 2.657 7.432 3.486 156 2HD1 ILE 21 12HD ILE 21 2.337 7.753 5.179 157 3HD1 ILE 21 13HD ILE 21 1.861 8.910 3.955 158 H ILE 22 H ILE 22 2.681 4.521 6.134 159 HA ILE 22 HA ILE 22 3.324 6.965 7.565 160 HB ILE 22 HB ILE 22 3.094 5.427 9.297 161 1HG1 ILE 22 11HG ILE 22 6.049 5.705 8.773 162 2HG1 ILE 22 12HG ILE 22 5.005 6.903 9.529 163 1HG2 ILE 22 21HG ILE 22 3.140 3.322 8.213 164 2HG2 ILE 22 22HG ILE 22 4.375 3.306 9.473 165 3HG2 ILE 22 23HG ILE 22 4.847 3.543 7.783 166 1HD1 ILE 22 11HD ILE 22 6.305 5.739 11.182 167 2HD1 ILE 22 12HD ILE 22 5.672 4.187 10.626 168 3HD1 ILE 22 13HD ILE 22 4.593 5.363 11.380 169 H GLY 23 H GLY 23 5.124 7.942 7.040 170 1HA GLY 23 1HA GLY 23 6.636 6.772 4.851 171 2HA GLY 23 2HA GLY 23 6.665 8.463 5.357 172 H MET 24 H MET 24 8.099 5.439 5.552 173 HA MET 24 HA MET 24 10.214 6.615 7.091 174 1HB MET 24 1HB MET 24 10.396 4.575 8.598 175 2HB MET 24 2HB MET 24 9.123 5.745 8.941 176 1HG MET 24 1HG MET 24 7.483 4.297 7.968 177 2HG MET 24 2HG MET 24 8.696 3.123 7.506 178 1HE MET 24 1HE MET 24 10.087 1.671 9.234 179 2HE MET 24 2HE MET 24 9.916 1.782 10.986 180 3HE MET 24 3HE MET 24 10.638 3.115 10.089 181 H GLY 25 H GLY 25 11.508 6.702 5.561 182 1HA GLY 25 1HA GLY 25 12.005 4.925 3.505 183 2HA GLY 25 2HA GLY 25 13.172 6.082 4.121 184 H VAL 26 H VAL 26 12.503 2.927 3.631 185 HA VAL 26 HA VAL 26 14.582 2.003 5.475 186 HB VAL 26 HB VAL 26 12.205 1.630 6.278 187 1HG1 VAL 26 11HG VAL 26 10.906 -0.197 5.267 188 2HG1 VAL 26 12HG VAL 26 12.077 -0.243 3.947 189 3HG1 VAL 26 13HG VAL 26 11.115 1.204 4.215 190 1HG2 VAL 26 21HG VAL 26 12.560 -0.698 7.001 191 2HG2 VAL 26 22HG VAL 26 14.032 0.265 7.157 192 3HG2 VAL 26 23HG VAL 26 13.842 -0.854 5.803 193 H GLY 27 H GLY 27 15.487 -0.070 4.695 194 1HA GLY 27 1HA GLY 27 15.872 -1.770 3.183 195 2HA GLY 27 2HA GLY 27 14.618 -1.105 2.153 196 H ALA 28 H ALA 28 17.732 0.018 3.402 197 HA ALA 28 HA ALA 28 18.513 0.729 0.639 198 1HB ALA 28 1HB ALA 28 19.694 1.569 3.275 199 2HB ALA 28 2HB ALA 28 18.611 2.560 2.290 200 3HB ALA 28 3HB ALA 28 20.225 2.135 1.693 201 H ASP 29 H ASP 29 18.664 -1.665 2.726 202 HA ASP 29 HA ASP 29 21.290 -2.343 3.299 203 1HB ASP 29 1HB ASP 29 18.929 -4.208 2.961 204 2HB ASP 29 2HB ASP 29 20.412 -4.489 3.860 205 H ALA 30 H ALA 30 19.213 -3.253 0.634 206 HA ALA 30 HA ALA 30 21.310 -4.904 -0.522 207 1HB ALA 30 1HB ALA 30 19.066 -5.797 -0.435 208 2HB ALA 30 2HB ALA 30 19.576 -5.600 -2.119 209 3HB ALA 30 3HB ALA 30 18.468 -4.438 -1.377 210 H GLY 31 H GLY 31 20.738 -1.737 -0.514 211 1HA GLY 31 1HA GLY 31 21.944 -0.175 -1.813 212 2HA GLY 31 2HA GLY 31 22.125 -1.428 -3.033 213 H LEU 32 H LEU 32 18.911 -1.243 -2.130 214 HA LEU 32 HA LEU 32 18.383 0.083 -4.654 215 1HB LEU 32 1HB LEU 32 16.575 -1.479 -2.837 216 2HB LEU 32 2HB LEU 32 15.966 -0.545 -4.178 217 HG LEU 32 HG LEU 32 16.073 -2.806 -4.834 218 1HD1 LEU 32 11HD LEU 32 16.637 -1.238 -6.557 219 2HD1 LEU 32 12HD LEU 32 17.506 -2.755 -6.779 220 3HD1 LEU 32 13HD LEU 32 18.349 -1.350 -6.133 221 1HD2 LEU 32 21HD LEU 32 17.666 -3.688 -3.251 222 2HD2 LEU 32 22HD LEU 32 18.975 -2.800 -4.025 223 3HD2 LEU 32 23HD LEU 32 18.164 -4.110 -4.888 224 H GLU 33 H GLU 33 17.619 0.567 -1.243 225 HA GLU 33 HA GLU 33 16.583 2.183 -0.089 226 1HB GLU 33 1HB GLU 33 17.363 3.949 -2.420 227 2HB GLU 33 2HB GLU 33 16.751 4.548 -0.883 228 1HG GLU 33 1HG GLU 33 18.744 3.607 0.216 229 2HG GLU 33 2HG GLU 33 19.345 3.105 -1.368 230 H LYS 34 H LYS 34 14.579 1.247 -0.199 231 HA LYS 34 HA LYS 34 13.007 1.734 -2.575 232 1HB LYS 34 1HB LYS 34 11.660 -0.129 -1.771 233 2HB LYS 34 2HB LYS 34 13.358 -0.584 -1.843 234 1HG LYS 34 1HG LYS 34 13.376 0.074 0.671 235 2HG LYS 34 2HG LYS 34 11.632 -0.090 0.549 236 1HD LYS 34 1HD LYS 34 13.660 -2.226 -0.102 237 2HD LYS 34 2HD LYS 34 12.688 -2.144 1.364 238 1HE LYS 34 1HE LYS 34 10.659 -2.431 0.036 239 2HE LYS 34 2HE LYS 34 11.623 -2.463 -1.441 240 1HZ LYS 34 1HZ LYS 34 11.104 -4.703 -0.735 241 2HZ LYS 34 2HZ LYS 34 11.779 -4.435 0.781 242 3HZ LYS 34 3HZ LYS 34 12.757 -4.428 -0.599 243 H LEU 35 H LEU 35 10.580 1.593 -1.752 244 HA LEU 35 HA LEU 35 9.915 4.032 -0.550 245 1HB LEU 35 1HB LEU 35 7.648 3.130 -0.632 246 2HB LEU 35 2HB LEU 35 8.500 2.859 -2.141 247 HG LEU 35 HG LEU 35 9.020 0.576 -0.760 248 1HD1 LEU 35 11HD LEU 35 6.206 1.348 -0.095 249 2HD1 LEU 35 12HD LEU 35 7.551 1.055 1.011 250 3HD1 LEU 35 13HD LEU 35 6.896 -0.266 0.048 251 1HD2 LEU 35 21HD LEU 35 7.452 -0.490 -2.270 252 2HD2 LEU 35 22HD LEU 35 8.482 0.694 -3.064 253 3HD2 LEU 35 23HD LEU 35 6.789 1.097 -2.709 254 H GLY 36 H GLY 36 9.217 4.428 1.566 255 1HA GLY 36 1HA GLY 36 9.525 2.169 3.405 256 2HA GLY 36 2HA GLY 36 9.941 3.833 3.823 257 H ILE 37 H ILE 37 7.194 2.900 1.937 258 HA ILE 37 HA ILE 37 5.577 4.228 3.910 259 HB ILE 37 HB ILE 37 4.786 3.286 1.157 260 1HG1 ILE 37 11HG ILE 37 6.577 5.038 1.270 261 2HG1 ILE 37 12HG ILE 37 5.117 5.586 0.411 262 1HG2 ILE 37 21HG ILE 37 2.901 3.464 2.661 263 2HG2 ILE 37 22HG ILE 37 2.847 4.818 1.523 264 3HG2 ILE 37 23HG ILE 37 3.427 5.059 3.181 265 1HD1 ILE 37 11HD ILE 37 6.086 6.228 3.173 266 2HD1 ILE 37 12HD ILE 37 4.511 6.727 2.552 267 3HD1 ILE 37 13HD ILE 37 5.987 7.335 1.801 268 H PHE 38 H PHE 38 5.095 2.961 5.451 269 HA PHE 38 HA PHE 38 4.102 0.261 4.900 270 1HB PHE 38 1HB PHE 38 4.805 1.617 7.502 271 2HB PHE 38 2HB PHE 38 4.145 -0.001 7.388 272 HD1 PHE 38 HD1 PHE 38 5.496 -1.845 6.670 273 HD2 PHE 38 HD2 PHE 38 7.081 2.092 6.839 274 HE1 PHE 38 HE1 PHE 38 7.755 -2.766 6.504 275 HE2 PHE 38 HE2 PHE 38 9.349 1.213 6.671 276 HZ PHE 38 HZ PHE 38 9.707 -1.253 6.509 277 H VAL 39 H VAL 39 2.148 -0.388 6.115 278 HA VAL 39 HA VAL 39 0.165 1.658 5.822 279 HB VAL 39 HB VAL 39 -0.097 -1.188 6.847 280 1HG1 VAL 39 11HG VAL 39 -2.470 -0.935 6.257 281 2HG1 VAL 39 12HG VAL 39 -2.171 0.745 5.812 282 3HG1 VAL 39 13HG VAL 39 -1.968 0.227 7.485 283 1HG2 VAL 39 21HG VAL 39 -0.527 -0.121 4.050 284 2HG2 VAL 39 22HG VAL 39 -0.835 -1.776 4.578 285 3HG2 VAL 39 23HG VAL 39 0.809 -1.141 4.565 286 H LYS 40 H LYS 40 -0.539 2.881 7.410 287 HA LYS 40 HA LYS 40 0.618 2.558 10.025 288 1HB LYS 40 1HB LYS 40 -0.843 4.671 8.638 289 2HB LYS 40 2HB LYS 40 -1.180 4.588 10.361 290 1HG LYS 40 1HG LYS 40 1.447 4.716 9.065 291 2HG LYS 40 2HG LYS 40 0.608 6.145 9.690 292 1HD LYS 40 1HD LYS 40 1.564 3.763 11.343 293 2HD LYS 40 2HD LYS 40 2.320 5.352 11.316 294 1HE LYS 40 1HE LYS 40 0.334 6.349 12.247 295 2HE LYS 40 2HE LYS 40 -0.507 4.799 12.202 296 1HZ LYS 40 1HZ LYS 40 0.276 5.227 14.388 297 2HZ LYS 40 2HZ LYS 40 1.838 5.494 13.881 298 3HZ LYS 40 3HZ LYS 40 1.164 3.943 13.770 299 H THR 41 H THR 41 -2.534 2.958 8.627 300 HA THR 41 HA THR 41 -3.720 1.152 10.607 301 HB THR 41 HB THR 41 -5.171 3.608 9.930 302 HG1 THR 41 HG1 THR 41 -4.030 4.860 11.439 303 1HG2 THR 41 21HG THR 41 -6.250 1.933 11.280 304 2HG2 THR 41 22HG THR 41 -5.991 3.381 12.257 305 3HG2 THR 41 23HG THR 41 -4.939 1.979 12.466 306 H VAL 42 H VAL 42 -5.889 0.586 9.889 307 HA VAL 42 HA VAL 42 -6.488 1.171 7.124 308 HB VAL 42 HB VAL 42 -6.814 -1.530 8.541 309 1HG1 VAL 42 11HG VAL 42 -8.679 -1.106 7.057 310 2HG1 VAL 42 12HG VAL 42 -7.656 -2.381 6.386 311 3HG1 VAL 42 13HG VAL 42 -7.572 -0.737 5.741 312 1HG2 VAL 42 21HG VAL 42 -4.509 -1.137 7.819 313 2HG2 VAL 42 22HG VAL 42 -5.076 -0.799 6.184 314 3HG2 VAL 42 23HG VAL 42 -5.264 -2.415 6.866 315 H THR 43 H THR 43 -8.915 1.107 6.875 316 HA THR 43 HA THR 43 -10.330 2.218 9.017 317 HB THR 43 HB THR 43 -10.924 2.460 6.569 318 HG1 THR 43 HG1 THR 43 -12.861 2.877 7.174 319 1HG2 THR 43 21HG THR 43 -10.524 0.144 5.924 320 2HG2 THR 43 22HG THR 43 -12.156 0.646 5.457 321 3HG2 THR 43 23HG THR 43 -11.907 -0.371 6.885 322 H GLU 44 H GLU 44 -12.043 1.155 10.245 323 HA GLU 44 HA GLU 44 -11.062 -1.085 11.548 324 1HB GLU 44 1HB GLU 44 -12.504 0.577 12.578 325 2HB GLU 44 2HB GLU 44 -13.853 0.018 11.609 326 1HG GLU 44 1HG GLU 44 -14.000 -2.000 12.789 327 2HG GLU 44 2HG GLU 44 -12.420 -1.763 13.545 328 H GLY 45 H GLY 45 -13.336 -0.967 8.946 329 1HA GLY 45 1HA GLY 45 -12.864 -3.824 8.654 330 2HA GLY 45 2HA GLY 45 -14.531 -3.302 8.788 331 H GLY 46 H GLY 46 -14.785 -1.213 7.410 332 1HA GLY 46 1HA GLY 46 -15.716 -0.829 5.367 333 2HA GLY 46 2HA GLY 46 -14.019 -0.834 4.890 334 H ALA 47 H ALA 47 -13.418 -2.190 3.739 335 HA ALA 47 HA ALA 47 -14.631 -4.837 3.469 336 1HB ALA 47 1HB ALA 47 -14.575 -4.789 1.058 337 2HB ALA 47 2HB ALA 47 -13.855 -3.198 1.075 338 3HB ALA 47 3HB ALA 47 -15.531 -3.409 1.622 339 H ALA 48 H ALA 48 -12.100 -3.235 4.367 340 HA ALA 48 HA ALA 48 -10.003 -4.598 2.795 341 1HB ALA 48 1HB ALA 48 -9.763 -2.375 4.825 342 2HB ALA 48 2HB ALA 48 -9.741 -2.178 3.070 343 3HB ALA 48 3HB ALA 48 -8.444 -3.055 3.875 344 H GLN 49 H GLN 49 -10.763 -3.860 6.261 345 HA GLN 49 HA GLN 49 -9.137 -6.089 6.940 346 1HB GLN 49 1HB GLN 49 -10.777 -4.164 8.518 347 2HB GLN 49 2HB GLN 49 -10.059 -5.576 9.313 348 1HG GLN 49 1HG GLN 49 -7.842 -4.778 8.407 349 2HG GLN 49 2HG GLN 49 -8.684 -3.317 7.892 350 1HE2 GLN 49 21HE GLN 49 -10.365 -3.143 10.186 351 2HE2 GLN 49 22HE GLN 49 -9.384 -2.737 11.529 352 H ARG 50 H ARG 50 -12.327 -5.558 6.074 353 HA ARG 50 HA ARG 50 -13.302 -8.023 7.143 354 1HB ARG 50 1HB ARG 50 -14.448 -6.104 5.123 355 2HB ARG 50 2HB ARG 50 -15.234 -7.634 5.495 356 1HG ARG 50 1HG ARG 50 -14.566 -5.538 7.529 357 2HG ARG 50 2HG ARG 50 -16.154 -5.691 6.753 358 1HD ARG 50 1HD ARG 50 -16.387 -7.929 7.682 359 2HD ARG 50 2HD ARG 50 -14.780 -7.843 8.390 360 HE ARG 50 HE ARG 50 -16.509 -5.745 9.255 361 1HH1 ARG 50 11HH ARG 50 -15.651 -9.132 9.821 362 2HH1 ARG 50 12HH ARG 50 -16.083 -9.139 11.456 363 1HH2 ARG 50 21HH ARG 50 -17.114 -5.732 11.527 364 2HH2 ARG 50 22HH ARG 50 -16.936 -7.149 12.452 365 H ASP 51 H ASP 51 -11.626 -6.976 4.288 366 HA ASP 51 HA ASP 51 -11.945 -9.400 2.817 367 1HB ASP 51 1HB ASP 51 -11.165 -7.420 1.648 368 2HB ASP 51 2HB ASP 51 -9.779 -7.274 2.724 369 H GLY 52 H GLY 52 -9.139 -8.115 4.558 370 1HA GLY 52 1HA GLY 52 -7.995 -9.168 6.290 371 2HA GLY 52 2HA GLY 52 -8.900 -10.629 5.968 372 H ARG 53 H ARG 53 -7.663 -9.683 2.990 373 HA ARG 53 HA ARG 53 -5.479 -11.574 3.300 374 1HB ARG 53 1HB ARG 53 -7.073 -11.260 1.232 375 2HB ARG 53 2HB ARG 53 -6.061 -9.885 0.856 376 1HG ARG 53 1HG ARG 53 -5.135 -12.755 1.026 377 2HG ARG 53 2HG ARG 53 -5.498 -11.886 -0.456 378 1HD ARG 53 1HD ARG 53 -3.678 -10.300 0.075 379 2HD ARG 53 2HD ARG 53 -3.310 -11.233 1.521 380 HE ARG 53 HE ARG 53 -3.223 -12.469 -1.130 381 1HH1 ARG 53 11HH ARG 53 -1.610 -11.744 1.929 382 2HH1 ARG 53 12HH ARG 53 -0.116 -12.417 1.515 383 1HH2 ARG 53 21HH ARG 53 -1.156 -13.426 -1.763 384 2HH2 ARG 53 22HH ARG 53 0.147 -13.412 -0.704 385 H ILE 54 H ILE 54 -6.129 -8.209 2.903 386 HA ILE 54 HA ILE 54 -3.326 -7.450 2.924 387 HB ILE 54 HB ILE 54 -5.093 -6.231 1.536 388 1HG1 ILE 54 11HG ILE 54 -3.690 -4.481 3.574 389 2HG1 ILE 54 12HG ILE 54 -2.890 -5.209 2.187 390 1HG2 ILE 54 21HG ILE 54 -5.979 -5.326 4.269 391 2HG2 ILE 54 22HG ILE 54 -6.939 -6.240 3.110 392 3HG2 ILE 54 23HG ILE 54 -6.506 -4.559 2.767 393 1HD1 ILE 54 11HD ILE 54 -4.319 -3.966 0.689 394 2HD1 ILE 54 12HD ILE 54 -3.461 -2.880 1.771 395 3HD1 ILE 54 13HD ILE 54 -5.179 -3.266 2.058 396 H GLN 55 H GLN 55 -2.356 -6.344 4.757 397 HA GLN 55 HA GLN 55 -4.081 -6.309 7.067 398 1HB GLN 55 1HB GLN 55 -1.245 -7.341 6.955 399 2HB GLN 55 2HB GLN 55 -2.076 -7.001 8.457 400 1HG GLN 55 1HG GLN 55 -2.911 -9.031 6.389 401 2HG GLN 55 2HG GLN 55 -2.099 -9.389 7.906 402 1HE2 GLN 55 21HE GLN 55 -3.706 -7.411 9.389 403 2HE2 GLN 55 22HE GLN 55 -5.269 -8.097 9.559 404 H VAL 56 H VAL 56 -2.686 -5.138 8.937 405 HA VAL 56 HA VAL 56 -2.341 -2.377 7.961 406 HB VAL 56 HB VAL 56 -2.185 -3.330 10.806 407 1HG1 VAL 56 11HG VAL 56 -1.643 -1.025 10.437 408 2HG1 VAL 56 12HG VAL 56 -3.151 -1.159 11.343 409 3HG1 VAL 56 13HG VAL 56 -3.187 -0.754 9.630 410 1HG2 VAL 56 21HG VAL 56 -4.747 -2.863 9.295 411 2HG2 VAL 56 22HG VAL 56 -4.610 -3.065 11.043 412 3HG2 VAL 56 23HG VAL 56 -4.157 -4.388 9.964 413 H ASN 57 H ASN 57 -0.464 -5.028 8.608 414 HA ASN 57 HA ASN 57 1.780 -3.386 9.534 415 1HB ASN 57 1HB ASN 57 2.839 -5.468 10.266 416 2HB ASN 57 2HB ASN 57 1.246 -5.274 10.989 417 1HD2 ASN 57 21HD ASN 57 -0.442 -6.699 10.362 418 2HD2 ASN 57 22HD ASN 57 -0.069 -8.161 9.537 419 H ASP 58 H ASP 58 0.556 -4.178 6.775 420 HA ASP 58 HA ASP 58 2.886 -5.251 5.438 421 1HB ASP 58 1HB ASP 58 0.165 -4.435 4.438 422 2HB ASP 58 2HB ASP 58 1.495 -4.755 3.336 423 H GLN 59 H GLN 59 3.161 -4.063 3.169 424 HA GLN 59 HA GLN 59 3.709 -1.261 3.725 425 1HB GLN 59 1HB GLN 59 5.708 -2.695 4.140 426 2HB GLN 59 2HB GLN 59 5.599 -3.246 2.474 427 1HG GLN 59 1HG GLN 59 5.971 -0.989 1.699 428 2HG GLN 59 2HG GLN 59 6.042 -0.415 3.357 429 1HE2 GLN 59 21HE GLN 59 8.076 0.356 3.150 430 2HE2 GLN 59 22HE GLN 59 9.471 -0.650 3.005 431 H ILE 60 H ILE 60 3.129 0.012 2.025 432 HA ILE 60 HA ILE 60 1.689 -1.201 -0.171 433 HB ILE 60 HB ILE 60 2.376 1.715 0.297 434 1HG1 ILE 60 11HG ILE 60 1.016 0.873 2.167 435 2HG1 ILE 60 12HG ILE 60 0.082 1.961 1.143 436 1HG2 ILE 60 21HG ILE 60 0.234 0.511 -1.404 437 2HG2 ILE 60 22HG ILE 60 1.787 1.029 -2.012 438 3HG2 ILE 60 23HG ILE 60 0.668 2.227 -1.322 439 1HD1 ILE 60 11HD ILE 60 -0.075 -1.042 1.149 440 2HD1 ILE 60 12HD ILE 60 -1.006 0.031 0.103 441 3HD1 ILE 60 13HD ILE 60 -1.257 0.064 1.849 442 H VAL 61 H VAL 61 2.872 -1.990 -1.883 443 HA VAL 61 HA VAL 61 5.443 -0.746 -2.457 444 HB VAL 61 HB VAL 61 4.219 -3.305 -3.529 445 1HG1 VAL 61 11HG VAL 61 6.389 -3.847 -4.421 446 2HG1 VAL 61 12HG VAL 61 7.021 -2.272 -3.920 447 3HG1 VAL 61 13HG VAL 61 5.754 -2.374 -5.156 448 1HG2 VAL 61 21HG VAL 61 5.874 -4.441 -2.136 449 2HG2 VAL 61 22HG VAL 61 4.763 -3.466 -1.184 450 3HG2 VAL 61 23HG VAL 61 6.404 -2.883 -1.495 451 H GLU 62 H GLU 62 2.464 -1.571 -4.145 452 HA GLU 62 HA GLU 62 2.785 0.710 -5.884 453 1HB GLU 62 1HB GLU 62 4.132 -0.904 -7.069 454 2HB GLU 62 2HB GLU 62 2.880 -2.113 -7.016 455 1HG GLU 62 1HG GLU 62 1.479 -0.652 -8.445 456 2HG GLU 62 2HG GLU 62 2.829 0.479 -8.525 457 H VAL 63 H VAL 63 0.856 1.532 -5.341 458 HA VAL 63 HA VAL 63 -1.480 -0.173 -5.506 459 HB VAL 63 HB VAL 63 -0.989 2.530 -4.245 460 1HG1 VAL 63 11HG VAL 63 -3.707 1.422 -4.980 461 2HG1 VAL 63 12HG VAL 63 -2.944 2.867 -5.656 462 3HG1 VAL 63 13HG VAL 63 -3.393 2.827 -3.945 463 1HG2 VAL 63 21HG VAL 63 -2.458 0.067 -3.397 464 2HG2 VAL 63 22HG VAL 63 -2.010 1.448 -2.389 465 3HG2 VAL 63 23HG VAL 63 -0.762 0.390 -3.076 466 H ASP 64 H ASP 64 -2.741 -0.260 -7.125 467 HA ASP 64 HA ASP 64 -3.977 0.238 -8.969 468 1HB ASP 64 1HB ASP 64 -4.605 2.258 -7.640 469 2HB ASP 64 2HB ASP 64 -3.252 3.124 -8.341 470 H GLY 65 H GLY 65 -0.927 0.120 -8.941 471 1HA GLY 65 1HA GLY 65 0.615 -0.228 -10.644 472 2HA GLY 65 2HA GLY 65 -0.590 0.357 -11.789 473 H ILE 66 H ILE 66 -0.094 2.429 -9.128 474 HA ILE 66 HA ILE 66 0.944 4.476 -10.844 475 HB ILE 66 HB ILE 66 -0.687 4.640 -8.707 476 1HG1 ILE 66 11HG ILE 66 1.433 6.723 -9.272 477 2HG1 ILE 66 12HG ILE 66 0.004 6.456 -10.271 478 1HG2 ILE 66 21HG ILE 66 0.500 5.454 -6.733 479 2HG2 ILE 66 22HG ILE 66 2.036 5.043 -7.502 480 3HG2 ILE 66 23HG ILE 66 0.888 3.767 -7.101 481 1HD1 ILE 66 11HD ILE 66 -1.409 7.028 -8.376 482 2HD1 ILE 66 12HD ILE 66 -0.301 8.344 -8.791 483 3HD1 ILE 66 13HD ILE 66 0.039 7.297 -7.405 484 H SER 67 H SER 67 2.287 2.130 -8.902 485 HA SER 67 HA SER 67 4.240 1.752 -7.850 486 1HB SER 67 1HB SER 67 6.263 1.962 -9.431 487 2HB SER 67 2HB SER 67 4.919 0.941 -9.943 488 HG SER 67 HG SER 67 5.015 3.659 -10.705 489 H LEU 68 H LEU 68 3.979 3.077 -6.206 490 HA LEU 68 HA LEU 68 5.287 5.608 -6.255 491 1HB LEU 68 1HB LEU 68 4.157 5.989 -4.123 492 2HB LEU 68 2HB LEU 68 3.064 5.454 -5.364 493 HG LEU 68 HG LEU 68 2.265 4.528 -3.465 494 1HD1 LEU 68 11HD LEU 68 2.276 2.221 -3.534 495 2HD1 LEU 68 12HD LEU 68 3.709 2.208 -4.525 496 3HD1 LEU 68 13HD LEU 68 2.199 2.925 -5.149 497 1HD2 LEU 68 21HD LEU 68 3.500 3.240 -1.753 498 2HD2 LEU 68 22HD LEU 68 4.024 4.921 -1.883 499 3HD2 LEU 68 23HD LEU 68 4.999 3.639 -2.595 500 H VAL 69 H VAL 69 6.896 3.367 -6.530 501 HA VAL 69 HA VAL 69 8.144 2.599 -4.110 502 HB VAL 69 HB VAL 69 9.234 2.399 -6.932 503 1HG1 VAL 69 11HG VAL 69 10.606 0.568 -6.075 504 2HG1 VAL 69 12HG VAL 69 9.980 0.855 -4.452 505 3HG1 VAL 69 13HG VAL 69 10.958 2.086 -5.249 506 1HG2 VAL 69 21HG VAL 69 7.593 0.402 -5.368 507 2HG2 VAL 69 22HG VAL 69 8.356 0.094 -6.927 508 3HG2 VAL 69 23HG VAL 69 7.074 1.297 -6.797 509 H GLY 70 H GLY 70 8.803 4.402 -3.011 510 1HA GLY 70 1HA GLY 70 10.910 5.440 -2.421 511 2HA GLY 70 2HA GLY 70 11.191 5.703 -4.138 512 H VAL 71 H VAL 71 8.013 6.308 -3.019 513 HA VAL 71 HA VAL 71 8.478 9.164 -3.370 514 HB VAL 71 HB VAL 71 6.056 9.433 -3.378 515 1HG1 VAL 71 11HG VAL 71 5.467 8.109 -5.326 516 2HG1 VAL 71 12HG VAL 71 6.878 7.086 -5.059 517 3HG1 VAL 71 13HG VAL 71 7.091 8.789 -5.470 518 1HG2 VAL 71 21HG VAL 71 5.877 6.472 -2.781 519 2HG2 VAL 71 22HG VAL 71 4.522 7.588 -3.030 520 3HG2 VAL 71 23HG VAL 71 5.566 7.770 -1.634 521 H THR 72 H THR 72 6.913 10.471 -1.802 522 HA THR 72 HA THR 72 7.794 9.795 0.870 523 HB THR 72 HB THR 72 6.814 12.082 1.343 524 HG1 THR 72 HG1 THR 72 7.110 12.538 -1.444 525 1HG2 THR 72 21HG THR 72 8.802 13.236 0.416 526 2HG2 THR 72 22HG THR 72 9.124 11.834 -0.608 527 3HG2 THR 72 23HG THR 72 9.216 11.687 1.147 528 H GLN 73 H GLN 73 6.272 10.356 2.531 529 HA GLN 73 HA GLN 73 4.025 8.768 2.461 530 1HB GLN 73 1HB GLN 73 3.542 9.554 4.677 531 2HB GLN 73 2HB GLN 73 5.270 9.502 4.469 532 1HG GLN 73 1HG GLN 73 3.507 11.839 4.412 533 2HG GLN 73 2HG GLN 73 4.587 11.423 5.750 534 1HE2 GLN 73 21HE GLN 73 6.947 11.249 5.080 535 2HE2 GLN 73 22HE GLN 73 7.517 12.396 3.963 536 H ASN 74 H ASN 74 4.330 12.180 1.713 537 HA ASN 74 HA ASN 74 1.555 12.612 1.743 538 1HB ASN 74 1HB ASN 74 1.993 14.771 0.587 539 2HB ASN 74 2HB ASN 74 3.007 14.541 2.005 540 1HD2 ASN 74 21HD ASN 74 5.175 14.402 1.728 541 2HD2 ASN 74 22HD ASN 74 5.970 14.685 0.228 542 H PHE 75 H PHE 75 3.792 11.681 -0.801 543 HA PHE 75 HA PHE 75 1.923 11.874 -2.912 544 1HB PHE 75 1HB PHE 75 4.396 11.608 -3.257 545 2HB PHE 75 2HB PHE 75 4.237 9.953 -2.689 546 HD1 PHE 75 HD1 PHE 75 3.016 8.262 -4.076 547 HD2 PHE 75 HD2 PHE 75 3.745 12.206 -5.500 548 HE1 PHE 75 HE1 PHE 75 2.545 7.516 -6.349 549 HE2 PHE 75 HE2 PHE 75 3.265 11.456 -7.787 550 HZ PHE 75 HZ PHE 75 2.672 9.112 -8.218 551 H ALA 76 H ALA 76 3.006 9.221 -0.842 552 HA ALA 76 HA ALA 76 1.319 7.265 -1.883 553 1HB ALA 76 1HB ALA 76 3.245 6.783 -0.473 554 2HB ALA 76 2HB ALA 76 1.779 6.002 0.124 555 3HB ALA 76 3HB ALA 76 2.396 7.452 0.924 556 H ALA 77 H ALA 77 0.794 9.466 0.884 557 HA ALA 77 HA ALA 77 -1.731 8.458 1.631 558 1HB ALA 77 1HB ALA 77 -1.997 10.512 2.905 559 2HB ALA 77 2HB ALA 77 -0.680 11.259 2.003 560 3HB ALA 77 3HB ALA 77 -0.352 9.899 3.081 561 H THR 78 H THR 78 -0.793 10.351 -0.997 562 HA THR 78 HA THR 78 -3.450 11.349 -1.546 563 HB THR 78 HB THR 78 -0.853 11.445 -3.081 564 HG1 THR 78 HG1 THR 78 -0.798 12.771 -1.309 565 1HG2 THR 78 21HG THR 78 -3.494 12.793 -3.717 566 2HG2 THR 78 22HG THR 78 -2.757 11.469 -4.614 567 3HG2 THR 78 23HG THR 78 -1.974 13.056 -4.587 568 H VAL 79 H VAL 79 -1.216 8.926 -2.842 569 HA VAL 79 HA VAL 79 -2.845 7.943 -4.888 570 HB VAL 79 HB VAL 79 -0.953 6.280 -3.190 571 1HG1 VAL 79 11HG VAL 79 -0.781 4.836 -5.131 572 2HG1 VAL 79 12HG VAL 79 -1.909 5.862 -6.012 573 3HG1 VAL 79 13HG VAL 79 -2.457 4.966 -4.596 574 1HG2 VAL 79 21HG VAL 79 -0.448 7.950 -5.626 575 2HG2 VAL 79 22HG VAL 79 0.692 6.772 -4.969 576 3HG2 VAL 79 23HG VAL 79 0.226 8.182 -4.015 577 H LEU 80 H LEU 80 -2.509 6.795 -1.562 578 HA LEU 80 HA LEU 80 -4.614 4.895 -1.710 579 1HB LEU 80 1HB LEU 80 -3.161 6.143 0.621 580 2HB LEU 80 2HB LEU 80 -4.453 4.993 0.846 581 HG LEU 80 HG LEU 80 -2.400 3.827 1.135 582 1HD1 LEU 80 11HD LEU 80 -3.359 3.132 -1.608 583 2HD1 LEU 80 12HD LEU 80 -4.114 2.658 -0.097 584 3HD1 LEU 80 13HD LEU 80 -2.487 2.089 -0.478 585 1HD2 LEU 80 21HD LEU 80 -0.625 3.688 -0.524 586 2HD2 LEU 80 22HD LEU 80 -0.872 5.359 -0.003 587 3HD2 LEU 80 23HD LEU 80 -1.499 4.815 -1.561 588 H ARG 81 H ARG 81 -4.860 8.084 -1.894 589 HA ARG 81 HA ARG 81 -7.490 8.211 -0.586 590 1HB ARG 81 1HB ARG 81 -5.832 9.778 0.345 591 2HB ARG 81 2HB ARG 81 -5.528 10.424 -1.245 592 1HG ARG 81 1HG ARG 81 -8.304 10.615 -0.294 593 2HG ARG 81 2HG ARG 81 -7.109 11.560 0.587 594 1HD ARG 81 1HD ARG 81 -6.387 12.628 -1.472 595 2HD ARG 81 2HD ARG 81 -7.513 11.644 -2.400 596 HE ARG 81 HE ARG 81 -9.317 12.724 -1.195 597 1HH1 ARG 81 11HH ARG 81 -6.183 14.439 -1.152 598 2HH1 ARG 81 12HH ARG 81 -6.881 15.983 -0.984 599 1HH2 ARG 81 21HH ARG 81 -10.240 14.886 -0.966 600 2HH2 ARG 81 22HH ARG 81 -9.209 16.243 -0.889 601 H ASN 82 H ASN 82 -5.802 8.248 -3.528 602 HA ASN 82 HA ASN 82 -7.973 9.422 -5.104 603 1HB ASN 82 1HB ASN 82 -5.201 8.463 -5.812 604 2HB ASN 82 2HB ASN 82 -6.397 8.744 -7.059 605 1HD2 ASN 82 21HD ASN 82 -6.059 10.678 -4.167 606 2HD2 ASN 82 22HD ASN 82 -5.534 12.126 -4.940 607 H THR 83 H THR 83 -7.211 6.520 -3.798 608 HA THR 83 HA THR 83 -7.667 4.682 -5.812 609 HB THR 83 HB THR 83 -8.190 3.260 -3.707 610 HG1 THR 83 HG1 THR 83 -8.525 4.759 -2.169 611 1HG2 THR 83 21HG THR 83 -5.527 4.643 -4.086 612 2HG2 THR 83 22HG THR 83 -6.075 3.236 -4.990 613 3HG2 THR 83 23HG THR 83 -5.779 3.109 -3.256 614 H LYS 84 H LYS 84 -9.376 3.145 -5.826 615 HA LYS 84 HA LYS 84 -12.038 4.367 -5.574 616 1HB LYS 84 1HB LYS 84 -10.951 2.304 -7.508 617 2HB LYS 84 2HB LYS 84 -12.615 2.865 -7.433 618 1HG LYS 84 1HG LYS 84 -10.298 4.666 -7.943 619 2HG LYS 84 2HG LYS 84 -11.236 3.887 -9.227 620 1HD LYS 84 1HD LYS 84 -13.224 4.928 -8.459 621 2HD LYS 84 2HD LYS 84 -12.418 5.587 -7.062 622 1HE LYS 84 1HE LYS 84 -11.727 6.282 -9.929 623 2HE LYS 84 2HE LYS 84 -12.685 7.303 -8.857 624 1HZ LYS 84 1HZ LYS 84 -10.748 7.476 -7.393 625 2HZ LYS 84 2HZ LYS 84 -10.390 8.045 -8.936 626 3HZ LYS 84 3HZ LYS 84 -9.819 6.554 -8.456 627 H GLY 85 H GLY 85 -13.484 2.186 -5.987 628 1HA GLY 85 1HA GLY 85 -13.364 0.616 -3.655 629 2HA GLY 85 2HA GLY 85 -14.322 0.260 -5.095 630 H ASN 86 H ASN 86 -12.824 -0.307 -7.029 631 HA ASN 86 HA ASN 86 -11.371 -2.646 -6.225 632 1HB ASN 86 1HB ASN 86 -11.939 -1.444 -8.932 633 2HB ASN 86 2HB ASN 86 -10.836 -2.799 -8.738 634 1HD2 ASN 86 21HD ASN 86 -11.641 -4.790 -8.169 635 2HD2 ASN 86 22HD ASN 86 -13.307 -5.193 -8.257 636 H VAL 87 H VAL 87 -9.512 -2.446 -5.355 637 HA VAL 87 HA VAL 87 -7.567 -0.517 -6.488 638 HB VAL 87 HB VAL 87 -7.330 -1.595 -3.750 639 1HG1 VAL 87 11HG VAL 87 -6.148 0.499 -3.340 640 2HG1 VAL 87 12HG VAL 87 -6.426 0.955 -5.025 641 3HG1 VAL 87 13HG VAL 87 -5.464 -0.479 -4.639 642 1HG2 VAL 87 21HG VAL 87 -8.525 0.307 -2.807 643 2HG2 VAL 87 22HG VAL 87 -9.542 -0.774 -3.761 644 3HG2 VAL 87 23HG VAL 87 -9.040 0.784 -4.439 645 H ARG 88 H ARG 88 -5.773 -1.429 -7.189 646 HA ARG 88 HA ARG 88 -5.194 -4.171 -6.317 647 1HB ARG 88 1HB ARG 88 -4.202 -2.606 -8.701 648 2HB ARG 88 2HB ARG 88 -3.629 -4.211 -8.256 649 1HG ARG 88 1HG ARG 88 -5.780 -5.155 -8.581 650 2HG ARG 88 2HG ARG 88 -6.507 -3.567 -8.839 651 1HD ARG 88 1HD ARG 88 -5.137 -3.307 -10.849 652 2HD ARG 88 2HD ARG 88 -4.454 -4.916 -10.570 653 HE ARG 88 HE ARG 88 -6.912 -5.623 -10.676 654 1HH1 ARG 88 11HH ARG 88 -5.454 -3.095 -12.723 655 2HH1 ARG 88 12HH ARG 88 -6.564 -3.294 -13.990 656 1HH2 ARG 88 21HH ARG 88 -8.399 -5.904 -12.416 657 2HH2 ARG 88 22HH ARG 88 -8.316 -4.955 -13.820 658 H PHE 89 H PHE 89 -4.324 -3.945 -4.442 659 HA PHE 89 HA PHE 89 -2.146 -2.077 -4.016 660 1HB PHE 89 1HB PHE 89 -3.245 -4.246 -2.202 661 2HB PHE 89 2HB PHE 89 -2.048 -3.044 -1.775 662 HD1 PHE 89 HD1 PHE 89 -2.696 -0.792 -1.281 663 HD2 PHE 89 HD2 PHE 89 -5.587 -3.696 -2.366 664 HE1 PHE 89 HE1 PHE 89 -4.464 0.667 -0.425 665 HE2 PHE 89 HE2 PHE 89 -7.374 -2.229 -1.522 666 HZ PHE 89 HZ PHE 89 -6.806 -0.042 -0.540 667 H VAL 90 H VAL 90 -0.348 -2.782 -5.112 668 HA VAL 90 HA VAL 90 0.203 -5.613 -4.988 669 HB VAL 90 HB VAL 90 1.742 -3.413 -6.387 670 1HG1 VAL 90 11HG VAL 90 2.007 -6.419 -6.615 671 2HG1 VAL 90 12HG VAL 90 3.165 -5.327 -5.860 672 3HG1 VAL 90 13HG VAL 90 2.884 -5.245 -7.599 673 1HG2 VAL 90 21HG VAL 90 -0.460 -3.699 -7.388 674 2HG2 VAL 90 22HG VAL 90 -0.172 -5.433 -7.565 675 3HG2 VAL 90 23HG VAL 90 0.795 -4.278 -8.481 676 H ILE 91 H ILE 91 0.620 -5.802 -2.937 677 HA ILE 91 HA ILE 91 2.794 -4.332 -1.695 678 HB ILE 91 HB ILE 91 0.472 -5.988 -0.723 679 1HG1 ILE 91 11HG ILE 91 1.242 -3.141 -0.149 680 2HG1 ILE 91 12HG ILE 91 0.092 -3.607 -1.388 681 1HG2 ILE 91 21HG ILE 91 2.640 -4.870 1.054 682 2HG2 ILE 91 22HG ILE 91 2.381 -6.575 0.692 683 3HG2 ILE 91 23HG ILE 91 1.153 -5.673 1.576 684 1HD1 ILE 91 11HD ILE 91 -0.186 -4.073 1.535 685 2HD1 ILE 91 12HD ILE 91 -1.316 -4.534 0.225 686 3HD1 ILE 91 13HD ILE 91 -0.946 -2.818 0.531 687 H GLY 92 H GLY 92 4.343 -5.665 -0.522 688 1HA GLY 92 1HA GLY 92 4.452 -8.364 -1.587 689 2HA GLY 92 2HA GLY 92 5.883 -7.373 -1.680 690 H ARG 93 H ARG 93 6.055 -9.655 -0.389 691 HA ARG 93 HA ARG 93 6.473 -8.839 2.432 692 1HB ARG 93 1HB ARG 93 4.350 -10.119 2.130 693 2HB ARG 93 2HB ARG 93 5.359 -11.467 1.604 694 1HG ARG 93 1HG ARG 93 6.669 -11.065 3.745 695 2HG ARG 93 2HG ARG 93 5.263 -10.135 4.264 696 1HD ARG 93 1HD ARG 93 5.116 -12.279 5.029 697 2HD ARG 93 2HD ARG 93 3.876 -12.052 3.767 698 HE ARG 93 HE ARG 93 6.386 -13.162 2.847 699 1HH1 ARG 93 11HH ARG 93 3.204 -14.056 4.129 700 2HH1 ARG 93 12HH ARG 93 3.205 -15.598 3.391 701 1HH2 ARG 93 21HH ARG 93 6.328 -15.246 1.791 702 2HH2 ARG 93 22HH ARG 93 4.990 -16.282 2.049 703 H GLU 94 H GLU 94 8.397 -9.570 3.184 704 HA GLU 94 HA GLU 94 9.872 -11.459 1.534 705 1HB GLU 94 1HB GLU 94 10.688 -9.987 4.072 706 2HB GLU 94 2HB GLU 94 11.735 -11.008 3.106 707 1HG GLU 94 1HG GLU 94 11.571 -9.427 1.266 708 2HG GLU 94 2HG GLU 94 10.506 -8.402 2.229 Start of MODEL 8 1 1H GLY 1 1H GLY 1 17.016 -7.321 0.365 2 2H GLY 1 2H GLY 1 15.538 -7.329 -0.470 3 3H GLY 1 3H GLY 1 16.822 -8.229 -1.058 4 1HA GLY 1 1HA GLY 1 16.737 -9.677 0.841 5 2HA GLY 1 2HA GLY 1 15.415 -8.711 1.493 6 H HIS 2 H HIS 2 14.304 -10.823 1.419 7 HA HIS 2 HA HIS 2 13.413 -11.491 -1.296 8 1HB HIS 2 1HB HIS 2 13.286 -13.123 1.248 9 2HB HIS 2 2HB HIS 2 12.488 -13.596 -0.245 10 HD1 HIS 2 HD1 HIS 2 13.929 -14.775 -1.991 11 HD2 HIS 2 HD2 HIS 2 16.141 -13.160 1.132 12 HE1 HIS 2 HE1 HIS 2 16.258 -15.659 -2.267 13 H MET 3 H MET 3 11.738 -10.291 -1.820 14 HA MET 3 HA MET 3 9.496 -10.105 0.089 15 1HB MET 3 1HB MET 3 10.636 -7.919 -0.398 16 2HB MET 3 2HB MET 3 10.253 -8.146 -2.097 17 1HG MET 3 1HG MET 3 8.634 -6.647 -1.223 18 2HG MET 3 2HG MET 3 7.833 -8.198 -1.457 19 1HE MET 3 1HE MET 3 10.239 -7.004 1.493 20 2HE MET 3 2HE MET 3 9.024 -6.473 2.654 21 3HE MET 3 3HE MET 3 9.216 -5.614 1.126 22 H GLU 4 H GLU 4 7.574 -10.894 -0.678 23 HA GLU 4 HA GLU 4 7.501 -11.748 -3.483 24 1HB GLU 4 1HB GLU 4 7.124 -13.498 -1.760 25 2HB GLU 4 2HB GLU 4 5.805 -12.521 -1.124 26 1HG GLU 4 1HG GLU 4 4.562 -12.806 -3.187 27 2HG GLU 4 2HG GLU 4 5.894 -13.732 -3.869 28 H LEU 5 H LEU 5 6.545 -10.268 -4.757 29 HA LEU 5 HA LEU 5 4.579 -8.484 -3.621 30 1HB LEU 5 1HB LEU 5 5.749 -8.584 -6.406 31 2HB LEU 5 2HB LEU 5 4.688 -7.339 -5.787 32 HG LEU 5 HG LEU 5 6.773 -6.380 -5.769 33 1HD1 LEU 5 11HD LEU 5 5.557 -6.073 -3.701 34 2HD1 LEU 5 12HD LEU 5 7.310 -5.937 -3.499 35 3HD1 LEU 5 13HD LEU 5 6.479 -7.418 -3.009 36 1HD2 LEU 5 21HD LEU 5 7.914 -8.861 -4.503 37 2HD2 LEU 5 22HD LEU 5 8.802 -7.364 -4.780 38 3HD2 LEU 5 23HD LEU 5 8.190 -8.293 -6.153 39 H PHE 6 H PHE 6 2.441 -8.536 -4.076 40 HA PHE 6 HA PHE 6 1.496 -10.294 -6.143 41 1HB PHE 6 1HB PHE 6 -0.202 -11.140 -4.434 42 2HB PHE 6 2HB PHE 6 1.386 -11.909 -4.442 43 HD1 PHE 6 HD1 PHE 6 2.830 -11.501 -2.486 44 HD2 PHE 6 HD2 PHE 6 -1.024 -9.797 -2.800 45 HE1 PHE 6 HE1 PHE 6 2.907 -10.962 -0.106 46 HE2 PHE 6 HE2 PHE 6 -0.982 -9.229 -0.379 47 HZ PHE 6 HZ PHE 6 0.998 -9.819 0.967 48 HA PRO 7 HA PRO 7 -1.525 -7.029 -6.475 49 1HB PRO 7 1HB PRO 7 -3.076 -8.133 -8.263 50 2HB PRO 7 2HB PRO 7 -1.451 -7.590 -8.676 51 1HG PRO 7 1HG PRO 7 -2.393 -10.390 -8.083 52 2HG PRO 7 2HG PRO 7 -1.283 -9.845 -9.372 53 1HD PRO 7 1HD PRO 7 -0.537 -10.943 -6.948 54 2HD PRO 7 2HD PRO 7 0.487 -9.852 -7.916 55 H VAL 8 H VAL 8 -3.041 -6.636 -5.072 56 HA VAL 8 HA VAL 8 -5.080 -8.669 -4.582 57 HB VAL 8 HB VAL 8 -4.370 -6.374 -2.759 58 1HG1 VAL 8 11HG VAL 8 -5.630 -7.595 -1.062 59 2HG1 VAL 8 12HG VAL 8 -6.051 -8.808 -2.274 60 3HG1 VAL 8 13HG VAL 8 -6.604 -7.140 -2.461 61 1HG2 VAL 8 21HG VAL 8 -2.481 -7.816 -2.914 62 2HG2 VAL 8 22HG VAL 8 -3.474 -9.232 -2.540 63 3HG2 VAL 8 23HG VAL 8 -3.220 -7.968 -1.315 64 H GLU 9 H GLU 9 -6.683 -8.034 -6.030 65 HA GLU 9 HA GLU 9 -7.260 -5.218 -6.170 66 1HB GLU 9 1HB GLU 9 -7.511 -6.623 -8.213 67 2HB GLU 9 2HB GLU 9 -8.782 -7.532 -7.406 68 1HG GLU 9 1HG GLU 9 -10.053 -5.397 -7.167 69 2HG GLU 9 2HG GLU 9 -8.828 -4.627 -8.170 70 H LEU 10 H LEU 10 -8.243 -4.381 -4.517 71 HA LEU 10 HA LEU 10 -9.785 -6.059 -2.705 72 1HB LEU 10 1HB LEU 10 -7.952 -4.284 -2.169 73 2HB LEU 10 2HB LEU 10 -9.248 -3.144 -2.487 74 HG LEU 10 HG LEU 10 -10.552 -4.285 -0.656 75 1HD1 LEU 10 11HD LEU 10 -7.889 -5.547 -0.139 76 2HD1 LEU 10 12HD LEU 10 -9.365 -6.373 -0.645 77 3HD1 LEU 10 13HD LEU 10 -9.285 -5.590 0.931 78 1HD2 LEU 10 21HD LEU 10 -9.408 -3.137 1.105 79 2HD2 LEU 10 22HD LEU 10 -9.352 -2.167 -0.374 80 3HD2 LEU 10 23HD LEU 10 -7.926 -3.070 0.149 81 H GLU 11 H GLU 11 -11.934 -5.405 -2.155 82 HA GLU 11 HA GLU 11 -13.126 -3.523 -4.034 83 1HB GLU 11 1HB GLU 11 -13.866 -5.779 -4.531 84 2HB GLU 11 2HB GLU 11 -14.364 -6.026 -2.865 85 1HG GLU 11 1HG GLU 11 -16.132 -4.432 -3.106 86 2HG GLU 11 2HG GLU 11 -15.545 -3.962 -4.700 87 H LYS 12 H LYS 12 -12.931 -1.815 -2.794 88 HA LYS 12 HA LYS 12 -13.844 -1.917 -0.115 89 1HB LYS 12 1HB LYS 12 -12.263 -0.013 -1.667 90 2HB LYS 12 2HB LYS 12 -13.152 0.668 -0.328 91 1HG LYS 12 1HG LYS 12 -11.208 -1.613 -0.269 92 2HG LYS 12 2HG LYS 12 -10.873 0.027 0.336 93 1HD LYS 12 1HD LYS 12 -13.247 -1.232 1.504 94 2HD LYS 12 2HD LYS 12 -11.783 -2.169 1.803 95 1HE LYS 12 1HE LYS 12 -12.282 -0.792 3.622 96 2HE LYS 12 2HE LYS 12 -10.853 -0.104 2.884 97 1HZ LYS 12 1HZ LYS 12 -12.379 1.687 3.417 98 2HZ LYS 12 2HZ LYS 12 -13.664 0.861 2.735 99 3HZ LYS 12 3HZ LYS 12 -12.474 1.522 1.742 100 H ASP 13 H ASP 13 -14.773 0.168 0.623 101 HA ASP 13 HA ASP 13 -17.501 0.296 -0.170 102 1HB ASP 13 1HB ASP 13 -16.057 2.149 1.727 103 2HB ASP 13 2HB ASP 13 -17.725 1.600 1.771 104 H GLU 14 H GLU 14 -18.426 2.573 -0.487 105 HA GLU 14 HA GLU 14 -16.978 3.835 -2.608 106 1HB GLU 14 1HB GLU 14 -18.864 5.378 -2.755 107 2HB GLU 14 2HB GLU 14 -19.397 3.707 -2.724 108 1HG GLU 14 1HG GLU 14 -20.073 3.895 -0.451 109 2HG GLU 14 2HG GLU 14 -19.354 5.501 -0.328 110 H ASP 15 H ASP 15 -16.978 4.174 0.705 111 HA ASP 15 HA ASP 15 -16.210 6.867 1.076 112 1HB ASP 15 1HB ASP 15 -16.693 5.349 2.953 113 2HB ASP 15 2HB ASP 15 -15.274 4.400 2.553 114 H GLY 16 H GLY 16 -14.551 4.028 0.003 115 1HA GLY 16 1HA GLY 16 -12.730 4.397 -1.570 116 2HA GLY 16 2HA GLY 16 -12.151 5.648 -0.465 117 H LEU 17 H LEU 17 -10.398 4.941 0.444 118 HA LEU 17 HA LEU 17 -10.243 2.114 1.200 119 1HB LEU 17 1HB LEU 17 -8.448 3.101 -0.318 120 2HB LEU 17 2HB LEU 17 -8.091 4.159 1.021 121 HG LEU 17 HG LEU 17 -7.151 2.645 2.200 122 1HD1 LEU 17 11HD LEU 17 -8.855 0.782 2.044 123 2HD1 LEU 17 12HD LEU 17 -7.279 0.117 1.618 124 3HD1 LEU 17 13HD LEU 17 -8.438 0.538 0.354 125 1HD2 LEU 17 21HD LEU 17 -6.623 1.971 -0.656 126 2HD2 LEU 17 22HD LEU 17 -5.570 1.562 0.694 127 3HD2 LEU 17 23HD LEU 17 -5.889 3.257 0.307 128 H GLY 18 H GLY 18 -9.103 5.238 2.363 129 1HA GLY 18 1HA GLY 18 -9.117 6.155 4.446 130 2HA GLY 18 2HA GLY 18 -10.271 4.915 4.916 131 H ILE 19 H ILE 19 -6.991 4.307 3.670 132 HA ILE 19 HA ILE 19 -6.468 3.286 6.347 133 HB ILE 19 HB ILE 19 -4.800 1.774 5.519 134 1HG1 ILE 19 11HG ILE 19 -5.286 3.008 2.784 135 2HG1 ILE 19 12HG ILE 19 -3.822 3.097 3.743 136 1HG2 ILE 19 21HG ILE 19 -7.087 1.028 5.488 137 2HG2 ILE 19 22HG ILE 19 -6.190 0.300 4.152 138 3HG2 ILE 19 23HG ILE 19 -7.299 1.640 3.856 139 1HD1 ILE 19 11HD ILE 19 -3.564 1.506 1.966 140 2HD1 ILE 19 12HD ILE 19 -5.005 0.662 2.491 141 3HD1 ILE 19 13HD ILE 19 -3.553 0.641 3.518 142 H SER 20 H SER 20 -4.062 3.248 6.914 143 HA SER 20 HA SER 20 -2.987 5.933 6.385 144 1HB SER 20 1HB SER 20 -2.864 4.254 8.905 145 2HB SER 20 2HB SER 20 -2.247 5.891 8.748 146 HG SER 20 HG SER 20 -4.676 6.094 7.974 147 H ILE 21 H ILE 21 -0.716 6.056 6.278 148 HA ILE 21 HA ILE 21 0.684 3.489 5.847 149 HB ILE 21 HB ILE 21 1.918 4.555 4.009 150 1HG1 ILE 21 11HG ILE 21 0.511 6.650 3.020 151 2HG1 ILE 21 12HG ILE 21 0.216 6.880 4.722 152 1HG2 ILE 21 21HG ILE 21 0.055 3.131 3.469 153 2HG2 ILE 21 22HG ILE 21 0.153 4.458 2.314 154 3HG2 ILE 21 23HG ILE 21 -1.057 4.490 3.597 155 1HD1 ILE 21 11HD ILE 21 2.966 6.764 3.469 156 2HD1 ILE 21 12HD ILE 21 2.618 7.034 5.163 157 3HD1 ILE 21 13HD ILE 21 2.130 8.219 3.968 158 H ILE 22 H ILE 22 3.037 3.754 5.958 159 HA ILE 22 HA ILE 22 3.737 6.060 7.518 160 HB ILE 22 HB ILE 22 3.559 4.335 9.128 161 1HG1 ILE 22 11HG ILE 22 6.482 4.823 8.524 162 2HG1 ILE 22 12HG ILE 22 5.421 5.890 9.426 163 1HG2 ILE 22 21HG ILE 22 3.706 2.382 7.743 164 2HG2 ILE 22 22HG ILE 22 4.869 2.254 9.067 165 3HG2 ILE 22 23HG ILE 22 5.418 2.696 7.444 166 1HD1 ILE 22 11HD ILE 22 5.194 4.193 11.155 167 2HD1 ILE 22 12HD ILE 22 6.878 4.655 10.899 168 3HD1 ILE 22 13HD ILE 22 6.274 3.127 10.250 169 H GLY 23 H GLY 23 5.582 7.061 6.974 170 1HA GLY 23 1HA GLY 23 6.841 6.101 4.563 171 2HA GLY 23 2HA GLY 23 7.017 7.704 5.259 172 H MET 24 H MET 24 8.198 4.496 5.136 173 HA MET 24 HA MET 24 10.423 5.221 6.951 174 1HB MET 24 1HB MET 24 9.508 2.476 6.013 175 2HB MET 24 2HB MET 24 10.889 2.781 7.045 176 1HG MET 24 1HG MET 24 8.003 3.322 7.766 177 2HG MET 24 2HG MET 24 8.950 1.937 8.268 178 1HE MET 24 1HE MET 24 11.643 3.470 10.633 179 2HE MET 24 2HE MET 24 11.820 3.159 8.911 180 3HE MET 24 3HE MET 24 10.973 1.996 9.931 181 H GLY 25 H GLY 25 12.481 4.082 6.179 182 1HA GLY 25 1HA GLY 25 12.619 4.181 3.242 183 2HA GLY 25 2HA GLY 25 13.832 4.978 4.245 184 H VAL 26 H VAL 26 12.251 1.821 3.983 185 HA VAL 26 HA VAL 26 14.437 0.474 5.182 186 HB VAL 26 HB VAL 26 12.067 -0.370 5.251 187 1HG1 VAL 26 11HG VAL 26 11.433 0.062 2.975 188 2HG1 VAL 26 12HG VAL 26 11.160 -1.636 3.383 189 3HG1 VAL 26 13HG VAL 26 12.556 -1.164 2.407 190 1HG2 VAL 26 21HG VAL 26 13.828 -1.888 5.864 191 2HG2 VAL 26 22HG VAL 26 14.118 -2.291 4.173 192 3HG2 VAL 26 23HG VAL 26 12.607 -2.770 4.944 193 H GLY 27 H GLY 27 16.163 -0.452 4.312 194 1HA GLY 27 1HA GLY 27 17.581 -1.318 2.746 195 2HA GLY 27 2HA GLY 27 16.312 -1.160 1.547 196 H ALA 28 H ALA 28 16.603 1.797 2.983 197 HA ALA 28 HA ALA 28 17.815 2.890 0.632 198 1HB ALA 28 1HB ALA 28 17.086 4.285 3.203 199 2HB ALA 28 2HB ALA 28 16.023 4.089 1.808 200 3HB ALA 28 3HB ALA 28 17.484 5.070 1.675 201 H ASP 29 H ASP 29 18.731 3.029 4.004 202 HA ASP 29 HA ASP 29 21.372 3.976 3.531 203 1HB ASP 29 1HB ASP 29 20.328 4.310 5.707 204 2HB ASP 29 2HB ASP 29 20.193 2.573 5.939 205 H ALA 30 H ALA 30 19.958 0.836 3.701 206 HA ALA 30 HA ALA 30 22.310 -0.700 3.884 207 1HB ALA 30 1HB ALA 30 20.080 -1.604 4.361 208 2HB ALA 30 2HB ALA 30 20.940 -2.579 3.168 209 3HB ALA 30 3HB ALA 30 19.671 -1.469 2.650 210 H GLY 31 H GLY 31 20.691 0.783 1.121 211 1HA GLY 31 1HA GLY 31 22.322 1.364 -0.675 212 2HA GLY 31 2HA GLY 31 22.905 -0.283 -0.494 213 H LEU 32 H LEU 32 19.578 -0.355 -0.303 214 HA LEU 32 HA LEU 32 19.439 -1.394 -3.024 215 1HB LEU 32 1HB LEU 32 17.316 -1.469 -0.832 216 2HB LEU 32 2HB LEU 32 17.205 -2.172 -2.400 217 HG LEU 32 HG LEU 32 18.948 -3.818 -1.890 218 1HD1 LEU 32 11HD LEU 32 18.950 -2.671 0.898 219 2HD1 LEU 32 12HD LEU 32 20.271 -2.540 -0.260 220 3HD1 LEU 32 13HD LEU 32 19.801 -4.122 0.367 221 1HD2 LEU 32 21HD LEU 32 17.656 -5.131 -0.301 222 2HD2 LEU 32 22HD LEU 32 16.612 -4.333 -1.476 223 3HD2 LEU 32 23HD LEU 32 16.752 -3.693 0.159 224 H GLU 33 H GLU 33 17.898 0.923 -0.915 225 HA GLU 33 HA GLU 33 16.417 2.556 -1.150 226 1HB GLU 33 1HB GLU 33 17.599 2.859 -3.902 227 2HB GLU 33 2HB GLU 33 16.467 3.992 -3.184 228 1HG GLU 33 1HG GLU 33 18.185 4.295 -1.351 229 2HG GLU 33 2HG GLU 33 19.301 3.424 -2.411 230 H LYS 34 H LYS 34 14.700 1.215 -0.913 231 HA LYS 34 HA LYS 34 13.112 0.990 -3.278 232 1HB LYS 34 1HB LYS 34 14.073 -1.242 -2.630 233 2HB LYS 34 2HB LYS 34 13.439 -0.956 -1.011 234 1HG LYS 34 1HG LYS 34 11.355 -1.344 -1.562 235 2HG LYS 34 2HG LYS 34 11.614 -0.842 -3.251 236 1HD LYS 34 1HD LYS 34 12.692 -3.431 -2.088 237 2HD LYS 34 2HD LYS 34 11.118 -3.346 -2.886 238 1HE LYS 34 1HE LYS 34 12.255 -2.455 -4.911 239 2HE LYS 34 2HE LYS 34 13.803 -2.698 -4.113 240 1HZ LYS 34 1HZ LYS 34 13.281 -4.489 -5.593 241 2HZ LYS 34 2HZ LYS 34 11.846 -4.825 -4.804 242 3HZ LYS 34 3HZ LYS 34 13.337 -5.065 -4.017 243 H LEU 35 H LEU 35 10.806 0.597 -2.264 244 HA LEU 35 HA LEU 35 10.227 3.006 -0.902 245 1HB LEU 35 1HB LEU 35 7.939 2.371 -0.942 246 2HB LEU 35 2HB LEU 35 8.665 1.895 -2.466 247 HG LEU 35 HG LEU 35 8.561 -0.177 -0.366 248 1HD1 LEU 35 11HD LEU 35 6.146 0.774 -1.893 249 2HD1 LEU 35 12HD LEU 35 6.385 0.861 -0.147 250 3HD1 LEU 35 13HD LEU 35 6.239 -0.698 -0.933 251 1HD2 LEU 35 21HD LEU 35 8.034 -1.598 -2.267 252 2HD2 LEU 35 22HD LEU 35 9.485 -0.646 -2.584 253 3HD2 LEU 35 23HD LEU 35 7.943 -0.187 -3.314 254 H GLY 36 H GLY 36 9.582 3.297 1.181 255 1HA GLY 36 1HA GLY 36 9.669 0.950 2.928 256 2HA GLY 36 2HA GLY 36 10.290 2.534 3.419 257 H ILE 37 H ILE 37 7.475 2.262 1.441 258 HA ILE 37 HA ILE 37 5.997 3.512 3.566 259 HB ILE 37 HB ILE 37 4.982 2.766 0.816 260 1HG1 ILE 37 11HG ILE 37 6.924 4.354 0.785 261 2HG1 ILE 37 12HG ILE 37 5.447 5.073 0.121 262 1HG2 ILE 37 21HG ILE 37 3.227 3.073 2.457 263 2HG2 ILE 37 22HG ILE 37 3.220 4.449 1.349 264 3HG2 ILE 37 23HG ILE 37 3.922 4.603 2.965 265 1HD1 ILE 37 11HD ILE 37 6.759 5.514 2.779 266 2HD1 ILE 37 12HD ILE 37 5.177 6.181 2.352 267 3HD1 ILE 37 13HD ILE 37 6.611 6.679 1.458 268 H PHE 38 H PHE 38 5.454 2.168 5.029 269 HA PHE 38 HA PHE 38 4.318 -0.440 4.326 270 1HB PHE 38 1HB PHE 38 5.255 0.727 6.928 271 2HB PHE 38 2HB PHE 38 4.484 -0.844 6.827 272 HD1 PHE 38 HD1 PHE 38 5.631 -2.697 5.625 273 HD2 PHE 38 HD2 PHE 38 7.544 1.022 6.378 274 HE1 PHE 38 HE1 PHE 38 7.819 -3.743 5.208 275 HE2 PHE 38 HE2 PHE 38 9.734 -0.010 5.962 276 HZ PHE 38 HZ PHE 38 9.876 -2.397 5.376 277 H VAL 39 H VAL 39 2.371 -1.115 5.574 278 HA VAL 39 HA VAL 39 0.494 1.034 5.489 279 HB VAL 39 HB VAL 39 0.102 -1.817 6.466 280 1HG1 VAL 39 11HG VAL 39 -1.656 -0.303 7.175 281 2HG1 VAL 39 12HG VAL 39 -2.266 -1.422 5.955 282 3HG1 VAL 39 13HG VAL 39 -1.883 0.240 5.513 283 1HG2 VAL 39 21HG VAL 39 -0.757 -2.335 4.222 284 2HG2 VAL 39 22HG VAL 39 0.933 -1.823 4.157 285 3HG2 VAL 39 23HG VAL 39 -0.341 -0.707 3.694 286 H LYS 40 H LYS 40 -0.081 2.178 7.182 287 HA LYS 40 HA LYS 40 1.321 1.683 9.670 288 1HB LYS 40 1HB LYS 40 1.388 3.939 8.814 289 2HB LYS 40 2HB LYS 40 -0.362 4.003 8.717 290 1HG LYS 40 1HG LYS 40 0.432 5.287 10.583 291 2HG LYS 40 2HG LYS 40 -0.477 3.889 11.154 292 1HD LYS 40 1HD LYS 40 1.670 2.708 11.526 293 2HD LYS 40 2HD LYS 40 2.520 4.190 11.073 294 1HE LYS 40 1HE LYS 40 1.396 5.382 12.819 295 2HE LYS 40 2HE LYS 40 0.530 3.909 13.276 296 1HZ LYS 40 1HZ LYS 40 3.477 4.304 13.393 297 2HZ LYS 40 2HZ LYS 40 2.696 2.892 13.807 298 3HZ LYS 40 3HZ LYS 40 2.447 4.289 14.727 299 H THR 41 H THR 41 -1.956 2.007 8.408 300 HA THR 41 HA THR 41 -3.013 0.326 10.471 301 HB THR 41 HB THR 41 -4.351 2.928 10.179 302 HG1 THR 41 HG1 THR 41 -1.989 2.379 11.648 303 1HG2 THR 41 21HG THR 41 -4.049 1.014 12.484 304 2HG2 THR 41 22HG THR 41 -5.470 1.232 11.448 305 3HG2 THR 41 23HG THR 41 -4.967 2.516 12.556 306 H VAL 42 H VAL 42 -5.373 0.001 9.902 307 HA VAL 42 HA VAL 42 -6.002 0.802 7.179 308 HB VAL 42 HB VAL 42 -6.449 -1.947 8.456 309 1HG1 VAL 42 11HG VAL 42 -8.299 -1.267 7.044 310 2HG1 VAL 42 12HG VAL 42 -7.403 -2.603 6.301 311 3HG1 VAL 42 13HG VAL 42 -7.180 -0.944 5.726 312 1HG2 VAL 42 21HG VAL 42 -4.142 -1.610 7.678 313 2HG2 VAL 42 22HG VAL 42 -4.756 -1.198 6.078 314 3HG2 VAL 42 23HG VAL 42 -4.995 -2.822 6.721 315 H THR 43 H THR 43 -8.306 1.057 6.926 316 HA THR 43 HA THR 43 -9.618 2.122 9.156 317 HB THR 43 HB THR 43 -10.110 2.787 6.792 318 HG1 THR 43 HG1 THR 43 -12.044 3.293 7.357 319 1HG2 THR 43 21HG THR 43 -11.407 0.113 6.684 320 2HG2 THR 43 22HG THR 43 -9.914 0.550 5.854 321 3HG2 THR 43 23HG THR 43 -11.450 1.314 5.376 322 H GLU 44 H GLU 44 -11.277 1.265 10.308 323 HA GLU 44 HA GLU 44 -11.053 -1.563 10.818 324 1HB GLU 44 1HB GLU 44 -11.190 0.180 12.611 325 2HB GLU 44 2HB GLU 44 -12.845 0.486 12.119 326 1HG GLU 44 1HG GLU 44 -13.389 -1.860 12.649 327 2HG GLU 44 2HG GLU 44 -11.743 -2.063 13.253 328 H GLY 45 H GLY 45 -13.528 0.736 9.992 329 1HA GLY 45 1HA GLY 45 -15.193 -1.458 9.058 330 2HA GLY 45 2HA GLY 45 -15.869 0.107 9.616 331 H GLY 46 H GLY 46 -13.606 -1.314 7.499 332 1HA GLY 46 1HA GLY 46 -14.962 -0.210 5.262 333 2HA GLY 46 2HA GLY 46 -13.217 0.076 5.436 334 H ALA 47 H ALA 47 -14.638 -1.525 3.608 335 HA ALA 47 HA ALA 47 -14.579 -4.251 4.137 336 1HB ALA 47 1HB ALA 47 -14.876 -4.666 1.817 337 2HB ALA 47 2HB ALA 47 -14.175 -3.112 1.403 338 3HB ALA 47 3HB ALA 47 -15.741 -3.177 2.225 339 H ALA 48 H ALA 48 -11.839 -2.548 4.201 340 HA ALA 48 HA ALA 48 -10.050 -4.242 2.707 341 1HB ALA 48 1HB ALA 48 -9.467 -2.179 4.843 342 2HB ALA 48 2HB ALA 48 -9.485 -1.896 3.102 343 3HB ALA 48 3HB ALA 48 -8.267 -2.954 3.809 344 H GLN 49 H GLN 49 -10.724 -3.663 6.179 345 HA GLN 49 HA GLN 49 -9.344 -6.080 6.825 346 1HB GLN 49 1HB GLN 49 -10.864 -4.125 8.537 347 2HB GLN 49 2HB GLN 49 -10.155 -5.602 9.189 348 1HG GLN 49 1HG GLN 49 -7.946 -4.878 8.382 349 2HG GLN 49 2HG GLN 49 -8.681 -3.391 7.795 350 1HE2 GLN 49 21HE GLN 49 -10.387 -3.054 10.038 351 2HE2 GLN 49 22HE GLN 49 -9.426 -2.589 11.388 352 H ARG 50 H ARG 50 -12.278 -5.485 5.581 353 HA ARG 50 HA ARG 50 -13.640 -7.710 6.793 354 1HB ARG 50 1HB ARG 50 -14.242 -6.212 4.246 355 2HB ARG 50 2HB ARG 50 -15.248 -7.474 4.915 356 1HG ARG 50 1HG ARG 50 -14.540 -5.005 6.377 357 2HG ARG 50 2HG ARG 50 -16.009 -5.119 5.375 358 1HD ARG 50 1HD ARG 50 -16.548 -7.136 6.877 359 2HD ARG 50 2HD ARG 50 -15.270 -6.526 7.933 360 HE ARG 50 HE ARG 50 -17.611 -4.971 7.116 361 1HH1 ARG 50 11HH ARG 50 -15.334 -5.936 9.677 362 2HH1 ARG 50 12HH ARG 50 -16.008 -4.910 10.845 363 1HH2 ARG 50 21HH ARG 50 -18.525 -3.557 8.751 364 2HH2 ARG 50 22HH ARG 50 -17.834 -3.506 10.292 365 H ASP 51 H ASP 51 -11.834 -6.867 3.875 366 HA ASP 51 HA ASP 51 -12.097 -9.128 2.318 367 1HB ASP 51 1HB ASP 51 -11.037 -7.125 1.521 368 2HB ASP 51 2HB ASP 51 -9.721 -7.308 2.665 369 H GLY 52 H GLY 52 -9.310 -8.508 4.448 370 1HA GLY 52 1HA GLY 52 -8.617 -10.096 6.101 371 2HA GLY 52 2HA GLY 52 -9.384 -11.355 5.154 372 H ARG 53 H ARG 53 -7.939 -10.001 2.706 373 HA ARG 53 HA ARG 53 -5.552 -11.654 3.054 374 1HB ARG 53 1HB ARG 53 -7.152 -11.392 0.912 375 2HB ARG 53 2HB ARG 53 -6.091 -10.049 0.569 376 1HG ARG 53 1HG ARG 53 -5.098 -12.885 0.934 377 2HG ARG 53 2HG ARG 53 -5.593 -12.245 -0.619 378 1HD ARG 53 1HD ARG 53 -3.194 -12.192 -0.501 379 2HD ARG 53 2HD ARG 53 -3.769 -10.536 -0.380 380 HE ARG 53 HE ARG 53 -3.383 -10.743 2.051 381 1HH1 ARG 53 11HH ARG 53 -1.538 -12.980 -0.035 382 2HH1 ARG 53 12HH ARG 53 -0.226 -13.022 1.042 383 1HH2 ARG 53 21HH ARG 53 -1.586 -10.822 3.434 384 2HH2 ARG 53 22HH ARG 53 -0.227 -11.774 3.004 385 H ILE 54 H ILE 54 -6.504 -8.347 2.333 386 HA ILE 54 HA ILE 54 -3.806 -7.375 2.469 387 HB ILE 54 HB ILE 54 -5.807 -6.284 1.206 388 1HG1 ILE 54 11HG ILE 54 -4.142 -4.480 2.972 389 2HG1 ILE 54 12HG ILE 54 -3.561 -5.249 1.497 390 1HG2 ILE 54 21HG ILE 54 -7.422 -6.232 2.990 391 2HG2 ILE 54 22HG ILE 54 -7.028 -4.555 2.572 392 3HG2 ILE 54 23HG ILE 54 -6.312 -5.319 4.002 393 1HD1 ILE 54 11HD ILE 54 -5.326 -4.048 0.243 394 2HD1 ILE 54 12HD ILE 54 -4.137 -3.003 0.988 395 3HD1 ILE 54 13HD ILE 54 -5.751 -3.188 1.719 396 H GLN 55 H GLN 55 -2.856 -6.173 4.268 397 HA GLN 55 HA GLN 55 -4.372 -6.424 6.725 398 1HB GLN 55 1HB GLN 55 -1.496 -7.344 6.542 399 2HB GLN 55 2HB GLN 55 -2.551 -7.439 7.935 400 1HG GLN 55 1HG GLN 55 -3.935 -9.078 6.763 401 2HG GLN 55 2HG GLN 55 -2.845 -8.987 5.380 402 1HE2 GLN 55 21HE GLN 55 -0.674 -9.643 5.698 403 2HE2 GLN 55 22HE GLN 55 -0.290 -10.851 6.876 404 H VAL 56 H VAL 56 -2.534 -5.627 8.528 405 HA VAL 56 HA VAL 56 -2.056 -2.809 7.839 406 HB VAL 56 HB VAL 56 -1.807 -4.233 10.494 407 1HG1 VAL 56 11HG VAL 56 -1.961 -1.305 9.843 408 2HG1 VAL 56 12HG VAL 56 -0.570 -2.195 10.466 409 3HG1 VAL 56 13HG VAL 56 -2.001 -1.983 11.474 410 1HG2 VAL 56 21HG VAL 56 -4.161 -2.662 9.452 411 2HG2 VAL 56 22HG VAL 56 -3.990 -3.327 11.079 412 3HG2 VAL 56 23HG VAL 56 -4.095 -4.409 9.690 413 H ASN 57 H ASN 57 -0.354 -5.716 8.713 414 HA ASN 57 HA ASN 57 2.076 -4.157 9.056 415 1HB ASN 57 1HB ASN 57 1.428 -7.012 9.667 416 2HB ASN 57 2HB ASN 57 3.079 -6.389 9.770 417 1HD2 ASN 57 21HD ASN 57 -0.093 -6.425 11.207 418 2HD2 ASN 57 22HD ASN 57 0.352 -5.613 12.658 419 H ASP 58 H ASP 58 0.806 -4.732 6.424 420 HA ASP 58 HA ASP 58 3.069 -6.033 5.107 421 1HB ASP 58 1HB ASP 58 0.239 -5.519 4.163 422 2HB ASP 58 2HB ASP 58 1.527 -5.940 3.042 423 H GLN 59 H GLN 59 3.003 -4.871 2.618 424 HA GLN 59 HA GLN 59 3.638 -2.069 3.259 425 1HB GLN 59 1HB GLN 59 5.626 -3.551 3.210 426 2HB GLN 59 2HB GLN 59 5.210 -3.955 1.547 427 1HG GLN 59 1HG GLN 59 5.535 -1.658 0.887 428 2HG GLN 59 2HG GLN 59 5.893 -1.211 2.549 429 1HE2 GLN 59 21HE GLN 59 7.864 -0.490 2.093 430 2HE2 GLN 59 22HE GLN 59 9.202 -1.481 1.638 431 H ILE 60 H ILE 60 2.687 -0.620 1.846 432 HA ILE 60 HA ILE 60 1.194 -1.566 -0.436 433 HB ILE 60 HB ILE 60 1.926 1.297 0.215 434 1HG1 ILE 60 11HG ILE 60 0.631 0.395 2.106 435 2HG1 ILE 60 12HG ILE 60 -0.323 1.524 1.142 436 1HG2 ILE 60 21HG ILE 60 0.142 1.887 -1.306 437 2HG2 ILE 60 22HG ILE 60 -0.332 0.199 -1.399 438 3HG2 ILE 60 23HG ILE 60 1.192 0.691 -2.110 439 1HD1 ILE 60 11HD ILE 60 -0.528 -1.469 1.026 440 2HD1 ILE 60 12HD ILE 60 -1.480 -0.323 0.079 441 3HD1 ILE 60 13HD ILE 60 -1.661 -0.382 1.832 442 H VAL 61 H VAL 61 2.421 -2.247 -2.120 443 HA VAL 61 HA VAL 61 4.953 -0.910 -2.617 444 HB VAL 61 HB VAL 61 3.751 -3.428 -3.779 445 1HG1 VAL 61 11HG VAL 61 6.534 -2.374 -4.158 446 2HG1 VAL 61 12HG VAL 61 5.244 -2.462 -5.380 447 3HG1 VAL 61 13HG VAL 61 5.895 -3.945 -4.675 448 1HG2 VAL 61 21HG VAL 61 5.451 -4.570 -2.413 449 2HG2 VAL 61 22HG VAL 61 4.270 -3.679 -1.471 450 3HG2 VAL 61 23HG VAL 61 5.890 -3.012 -1.707 451 H GLU 62 H GLU 62 2.049 -1.738 -4.402 452 HA GLU 62 HA GLU 62 2.354 0.631 -6.022 453 1HB GLU 62 1HB GLU 62 3.617 -0.820 -7.406 454 2HB GLU 62 2HB GLU 62 2.491 -2.145 -7.250 455 1HG GLU 62 1HG GLU 62 0.839 -0.908 -8.546 456 2HG GLU 62 2HG GLU 62 1.932 0.465 -8.630 457 H VAL 63 H VAL 63 0.494 1.505 -5.553 458 HA VAL 63 HA VAL 63 -1.897 -0.147 -5.659 459 HB VAL 63 HB VAL 63 -1.302 2.447 -4.240 460 1HG1 VAL 63 11HG VAL 63 -4.080 1.546 -5.061 461 2HG1 VAL 63 12HG VAL 63 -3.234 2.975 -5.673 462 3HG1 VAL 63 13HG VAL 63 -3.691 2.891 -3.970 463 1HG2 VAL 63 21HG VAL 63 -2.447 1.286 -2.494 464 2HG2 VAL 63 22HG VAL 63 -1.211 0.233 -3.209 465 3HG2 VAL 63 23HG VAL 63 -2.902 0.007 -3.611 466 H ASP 64 H ASP 64 -3.133 -0.196 -7.202 467 HA ASP 64 HA ASP 64 -4.426 0.295 -8.910 468 1HB ASP 64 1HB ASP 64 -5.000 2.390 -7.763 469 2HB ASP 64 2HB ASP 64 -3.630 3.189 -8.516 470 H GLY 65 H GLY 65 -1.315 0.682 -8.952 471 1HA GLY 65 1HA GLY 65 0.070 0.003 -10.816 472 2HA GLY 65 2HA GLY 65 -1.160 0.710 -11.872 473 H ILE 66 H ILE 66 -0.563 2.658 -9.180 474 HA ILE 66 HA ILE 66 0.527 4.718 -10.774 475 HB ILE 66 HB ILE 66 -0.982 4.918 -8.606 476 1HG1 ILE 66 11HG ILE 66 1.407 6.740 -8.909 477 2HG1 ILE 66 12HG ILE 66 0.017 6.778 -9.992 478 1HG2 ILE 66 21HG ILE 66 1.769 4.835 -7.396 479 2HG2 ILE 66 22HG ILE 66 0.469 3.669 -7.130 480 3HG2 ILE 66 23HG ILE 66 0.289 5.334 -6.569 481 1HD1 ILE 66 11HD ILE 66 0.036 7.306 -7.063 482 2HD1 ILE 66 12HD ILE 66 -1.404 7.321 -8.082 483 3HD1 ILE 66 13HD ILE 66 -0.128 8.526 -8.331 484 H SER 67 H SER 67 1.906 2.171 -9.137 485 HA SER 67 HA SER 67 3.873 1.579 -8.274 486 1HB SER 67 1HB SER 67 5.876 2.074 -9.782 487 2HB SER 67 2HB SER 67 4.493 1.290 -10.547 488 HG SER 67 HG SER 67 4.254 3.964 -10.657 489 H LEU 68 H LEU 68 3.790 2.580 -6.308 490 HA LEU 68 HA LEU 68 5.049 5.195 -6.102 491 1HB LEU 68 1HB LEU 68 4.067 5.281 -3.884 492 2HB LEU 68 2HB LEU 68 2.856 4.938 -5.096 493 HG LEU 68 HG LEU 68 3.674 2.459 -4.230 494 1HD1 LEU 68 11HD LEU 68 3.388 4.286 -1.856 495 2HD1 LEU 68 12HD LEU 68 4.848 3.464 -2.383 496 3HD1 LEU 68 13HD LEU 68 3.470 2.518 -1.803 497 1HD2 LEU 68 21HD LEU 68 1.483 3.105 -4.864 498 2HD2 LEU 68 22HD LEU 68 1.303 4.111 -3.414 499 3HD2 LEU 68 23HD LEU 68 1.440 2.346 -3.274 500 H VAL 69 H VAL 69 6.123 2.390 -6.347 501 HA VAL 69 HA VAL 69 7.793 1.761 -4.226 502 HB VAL 69 HB VAL 69 8.463 1.465 -7.166 503 1HG1 VAL 69 11HG VAL 69 9.932 -0.375 -6.464 504 2HG1 VAL 69 12HG VAL 69 9.566 -0.023 -4.777 505 3HG1 VAL 69 13HG VAL 69 10.432 1.160 -5.754 506 1HG2 VAL 69 21HG VAL 69 7.551 -0.816 -6.926 507 2HG2 VAL 69 22HG VAL 69 6.339 0.432 -6.654 508 3HG2 VAL 69 23HG VAL 69 7.047 -0.419 -5.285 509 H GLY 70 H GLY 70 8.713 3.505 -3.260 510 1HA GLY 70 1HA GLY 70 10.910 4.457 -2.961 511 2HA GLY 70 2HA GLY 70 10.971 4.701 -4.701 512 H VAL 71 H VAL 71 8.202 5.473 -2.658 513 HA VAL 71 HA VAL 71 8.703 8.300 -3.306 514 HB VAL 71 HB VAL 71 6.315 8.743 -3.285 515 1HG1 VAL 71 11HG VAL 71 7.269 8.049 -5.392 516 2HG1 VAL 71 12HG VAL 71 5.605 7.481 -5.235 517 3HG1 VAL 71 13HG VAL 71 6.943 6.360 -4.999 518 1HG2 VAL 71 21HG VAL 71 4.653 6.984 -2.992 519 2HG2 VAL 71 22HG VAL 71 5.663 7.126 -1.554 520 3HG2 VAL 71 23HG VAL 71 5.928 5.804 -2.689 521 H THR 72 H THR 72 7.277 9.739 -1.744 522 HA THR 72 HA THR 72 8.167 9.145 0.951 523 HB THR 72 HB THR 72 7.241 11.499 1.280 524 HG1 THR 72 HG1 THR 72 7.511 11.960 -1.436 525 1HG2 THR 72 21HG THR 72 9.234 12.543 0.269 526 2HG2 THR 72 22HG THR 72 9.519 11.074 -0.675 527 3HG2 THR 72 23HG THR 72 9.627 11.034 1.091 528 H GLN 73 H GLN 73 6.639 9.925 2.646 529 HA GLN 73 HA GLN 73 4.393 8.243 2.540 530 1HB GLN 73 1HB GLN 73 4.025 8.699 4.801 531 2HB GLN 73 2HB GLN 73 5.711 9.131 4.640 532 1HG GLN 73 1HG GLN 73 3.440 11.082 4.555 533 2HG GLN 73 2HG GLN 73 4.379 10.715 5.998 534 1HE2 GLN 73 21HE GLN 73 6.919 10.521 4.623 535 2HE2 GLN 73 22HE GLN 73 7.296 12.127 4.148 536 H ASN 74 H ASN 74 4.806 11.632 1.837 537 HA ASN 74 HA ASN 74 2.011 12.203 1.906 538 1HB ASN 74 1HB ASN 74 2.548 14.374 0.840 539 2HB ASN 74 2HB ASN 74 3.572 14.058 2.233 540 1HD2 ASN 74 21HD ASN 74 5.785 13.872 1.935 541 2HD2 ASN 74 22HD ASN 74 6.524 14.145 0.413 542 H PHE 75 H PHE 75 4.225 11.203 -0.605 543 HA PHE 75 HA PHE 75 2.402 11.497 -2.733 544 1HB PHE 75 1HB PHE 75 4.880 11.047 -3.004 545 2HB PHE 75 2HB PHE 75 4.556 9.395 -2.483 546 HD1 PHE 75 HD1 PHE 75 4.525 11.696 -5.248 547 HD2 PHE 75 HD2 PHE 75 3.042 7.922 -3.925 548 HE1 PHE 75 HE1 PHE 75 3.991 11.080 -7.566 549 HE2 PHE 75 HE2 PHE 75 2.509 7.314 -6.208 550 HZ PHE 75 HZ PHE 75 2.984 8.885 -8.060 551 H ALA 76 H ALA 76 3.317 8.746 -0.698 552 HA ALA 76 HA ALA 76 1.488 6.922 -1.733 553 1HB ALA 76 1HB ALA 76 1.901 5.608 0.238 554 2HB ALA 76 2HB ALA 76 2.638 7.000 1.042 555 3HB ALA 76 3HB ALA 76 3.400 6.295 -0.387 556 H ALA 77 H ALA 77 1.127 9.085 1.095 557 HA ALA 77 HA ALA 77 -1.379 8.196 1.918 558 1HB ALA 77 1HB ALA 77 -1.603 10.339 3.065 559 2HB ALA 77 2HB ALA 77 -0.290 11.008 2.093 560 3HB ALA 77 3HB ALA 77 0.037 9.712 3.241 561 H THR 78 H THR 78 -0.479 10.435 -0.598 562 HA THR 78 HA THR 78 -3.082 11.335 -1.211 563 HB THR 78 HB THR 78 -0.581 11.161 -2.886 564 HG1 THR 78 HG1 THR 78 -0.289 12.555 -1.182 565 1HG2 THR 78 21HG THR 78 -1.640 12.827 -4.378 566 2HG2 THR 78 22HG THR 78 -3.123 12.711 -3.419 567 3HG2 THR 78 23HG THR 78 -2.533 11.306 -4.311 568 H VAL 79 H VAL 79 -1.062 8.721 -2.511 569 HA VAL 79 HA VAL 79 -2.819 7.794 -4.495 570 HB VAL 79 HB VAL 79 -0.933 6.054 -2.911 571 1HG1 VAL 79 11HG VAL 79 -2.000 5.768 -5.724 572 2HG1 VAL 79 12HG VAL 79 -2.562 4.880 -4.330 573 3HG1 VAL 79 13HG VAL 79 -0.917 4.637 -4.908 574 1HG2 VAL 79 21HG VAL 79 0.331 7.905 -3.703 575 2HG2 VAL 79 22HG VAL 79 -0.448 7.832 -5.265 576 3HG2 VAL 79 23HG VAL 79 0.677 6.544 -4.780 577 H LEU 80 H LEU 80 -2.320 6.611 -1.185 578 HA LEU 80 HA LEU 80 -4.434 4.724 -1.298 579 1HB LEU 80 1HB LEU 80 -2.906 5.837 1.051 580 2HB LEU 80 2HB LEU 80 -4.186 4.663 1.244 581 HG LEU 80 HG LEU 80 -2.157 3.460 1.380 582 1HD1 LEU 80 11HD LEU 80 -3.168 3.049 -1.403 583 2HD1 LEU 80 12HD LEU 80 -3.841 2.362 0.069 584 3HD1 LEU 80 13HD LEU 80 -2.214 1.915 -0.443 585 1HD2 LEU 80 21HD LEU 80 -1.265 4.684 -1.217 586 2HD2 LEU 80 22HD LEU 80 -0.367 3.513 -0.238 587 3HD2 LEU 80 23HD LEU 80 -0.673 5.133 0.377 588 H ARG 81 H ARG 81 -4.605 7.994 -1.115 589 HA ARG 81 HA ARG 81 -7.183 7.913 0.146 590 1HB ARG 81 1HB ARG 81 -5.915 9.742 0.939 591 2HB ARG 81 2HB ARG 81 -5.325 10.148 -0.647 592 1HG ARG 81 1HG ARG 81 -8.231 10.521 -0.002 593 2HG ARG 81 2HG ARG 81 -7.041 11.713 0.521 594 1HD ARG 81 1HD ARG 81 -6.318 12.003 -1.825 595 2HD ARG 81 2HD ARG 81 -7.477 10.797 -2.332 596 HE ARG 81 HE ARG 81 -8.754 12.861 -0.889 597 1HH1 ARG 81 11HH ARG 81 -7.498 12.075 -4.124 598 2HH1 ARG 81 12HH ARG 81 -8.420 13.231 -4.941 599 1HH2 ARG 81 21HH ARG 81 -10.057 14.482 -2.030 600 2HH2 ARG 81 22HH ARG 81 -9.934 14.631 -3.708 601 H ASN 82 H ASN 82 -5.627 8.279 -2.934 602 HA ASN 82 HA ASN 82 -7.922 9.224 -4.390 603 1HB ASN 82 1HB ASN 82 -5.104 8.647 -5.061 604 2HB ASN 82 2HB ASN 82 -6.275 8.519 -6.373 605 1HD2 ASN 82 21HD ASN 82 -4.916 10.652 -3.974 606 2HD2 ASN 82 22HD ASN 82 -5.372 12.115 -4.786 607 H THR 83 H THR 83 -7.329 6.448 -3.088 608 HA THR 83 HA THR 83 -7.913 4.555 -5.044 609 HB THR 83 HB THR 83 -8.553 3.249 -2.937 610 HG1 THR 83 HG1 THR 83 -8.895 5.350 -1.791 611 1HG2 THR 83 21HG THR 83 -6.177 3.057 -2.292 612 2HG2 THR 83 22HG THR 83 -5.828 4.545 -3.172 613 3HG2 THR 83 23HG THR 83 -6.355 3.109 -4.044 614 H LYS 84 H LYS 84 -9.890 3.154 -4.695 615 HA LYS 84 HA LYS 84 -12.358 4.522 -4.250 616 1HB LYS 84 1HB LYS 84 -12.941 3.575 -6.722 617 2HB LYS 84 2HB LYS 84 -12.368 5.213 -6.462 618 1HG LYS 84 1HG LYS 84 -11.161 4.292 -8.323 619 2HG LYS 84 2HG LYS 84 -10.057 4.406 -6.959 620 1HD LYS 84 1HD LYS 84 -10.628 1.969 -6.507 621 2HD LYS 84 2HD LYS 84 -11.361 1.957 -8.105 622 1HE LYS 84 1HE LYS 84 -8.467 2.595 -7.460 623 2HE LYS 84 2HE LYS 84 -9.070 1.128 -8.214 624 1HZ LYS 84 1HZ LYS 84 -9.743 2.453 -10.143 625 2HZ LYS 84 2HZ LYS 84 -8.086 2.654 -9.793 626 3HZ LYS 84 3HZ LYS 84 -9.168 3.853 -9.384 627 H GLY 85 H GLY 85 -13.926 2.514 -5.533 628 1HA GLY 85 1HA GLY 85 -14.044 0.509 -3.648 629 2HA GLY 85 2HA GLY 85 -14.740 0.401 -5.253 630 H ASN 86 H ASN 86 -13.146 -0.302 -7.013 631 HA ASN 86 HA ASN 86 -11.712 -2.566 -5.890 632 1HB ASN 86 1HB ASN 86 -12.491 -1.957 -8.735 633 2HB ASN 86 2HB ASN 86 -11.440 -3.298 -8.298 634 1HD2 ASN 86 21HD ASN 86 -12.292 -5.006 -7.114 635 2HD2 ASN 86 22HD ASN 86 -13.983 -5.325 -7.035 636 H VAL 87 H VAL 87 -9.783 -2.275 -5.288 637 HA VAL 87 HA VAL 87 -8.027 -0.446 -6.834 638 HB VAL 87 HB VAL 87 -7.434 -1.288 -4.059 639 1HG1 VAL 87 11HG VAL 87 -6.795 1.178 -5.605 640 2HG1 VAL 87 12HG VAL 87 -5.737 -0.189 -5.242 641 3HG1 VAL 87 13HG VAL 87 -6.308 0.857 -3.932 642 1HG2 VAL 87 21HG VAL 87 -8.599 0.678 -3.151 643 2HG2 VAL 87 22HG VAL 87 -9.644 -0.560 -3.854 644 3HG2 VAL 87 23HG VAL 87 -9.334 0.935 -4.751 645 H ARG 88 H ARG 88 -6.167 -1.317 -7.565 646 HA ARG 88 HA ARG 88 -5.536 -4.087 -6.898 647 1HB ARG 88 1HB ARG 88 -4.492 -2.169 -8.948 648 2HB ARG 88 2HB ARG 88 -3.797 -3.760 -8.668 649 1HG ARG 88 1HG ARG 88 -5.702 -4.856 -9.374 650 2HG ARG 88 2HG ARG 88 -6.700 -3.394 -9.292 651 1HD ARG 88 1HD ARG 88 -6.143 -3.941 -11.571 652 2HD ARG 88 2HD ARG 88 -5.412 -2.413 -11.051 653 HE ARG 88 HE ARG 88 -3.868 -4.915 -11.078 654 1HH1 ARG 88 11HH ARG 88 -4.201 -1.520 -12.143 655 2HH1 ARG 88 12HH ARG 88 -2.694 -1.490 -12.902 656 1HH2 ARG 88 21HH ARG 88 -1.822 -4.823 -12.101 657 2HH2 ARG 88 22HH ARG 88 -1.312 -3.378 -12.893 658 H PHE 89 H PHE 89 -4.659 -4.096 -4.958 659 HA PHE 89 HA PHE 89 -2.461 -2.296 -4.335 660 1HB PHE 89 1HB PHE 89 -3.734 -4.522 -2.750 661 2HB PHE 89 2HB PHE 89 -2.431 -3.496 -2.187 662 HD1 PHE 89 HD1 PHE 89 -5.939 -3.759 -2.912 663 HD2 PHE 89 HD2 PHE 89 -2.830 -1.248 -1.558 664 HE1 PHE 89 HE1 PHE 89 -7.601 -2.180 -1.988 665 HE2 PHE 89 HE2 PHE 89 -4.467 0.333 -0.650 666 HZ PHE 89 HZ PHE 89 -6.863 -0.145 -0.873 667 H VAL 90 H VAL 90 -0.693 -2.961 -5.461 668 HA VAL 90 HA VAL 90 -0.151 -5.797 -5.422 669 HB VAL 90 HB VAL 90 1.490 -3.578 -6.651 670 1HG1 VAL 90 11HG VAL 90 1.577 -6.566 -7.069 671 2HG1 VAL 90 12HG VAL 90 2.786 -5.597 -6.228 672 3HG1 VAL 90 13HG VAL 90 2.544 -5.395 -7.962 673 1HG2 VAL 90 21HG VAL 90 0.547 -4.221 -8.819 674 2HG2 VAL 90 22HG VAL 90 -0.703 -3.656 -7.710 675 3HG2 VAL 90 23HG VAL 90 -0.507 -5.383 -8.014 676 H ILE 91 H ILE 91 0.113 -5.933 -3.309 677 HA ILE 91 HA ILE 91 2.190 -4.452 -1.946 678 HB ILE 91 HB ILE 91 -0.195 -6.107 -1.178 679 1HG1 ILE 91 11HG ILE 91 0.602 -3.312 -0.537 680 2HG1 ILE 91 12HG ILE 91 -0.538 -3.769 -1.797 681 1HG2 ILE 91 21HG ILE 91 1.490 -6.815 0.409 682 2HG2 ILE 91 22HG ILE 91 0.273 -5.811 1.197 683 3HG2 ILE 91 23HG ILE 91 1.852 -5.133 0.799 684 1HD1 ILE 91 11HD ILE 91 -1.638 -2.975 0.090 685 2HD1 ILE 91 12HD ILE 91 -0.808 -4.175 1.120 686 3HD1 ILE 91 13HD ILE 91 -1.949 -4.708 -0.165 687 H GLY 92 H GLY 92 3.619 -5.716 -0.609 688 1HA GLY 92 1HA GLY 92 3.832 -8.426 -1.548 689 2HA GLY 92 2HA GLY 92 5.276 -7.411 -1.474 690 H ARG 93 H ARG 93 5.004 -9.740 -0.097 691 HA ARG 93 HA ARG 93 5.160 -8.781 2.656 692 1HB ARG 93 1HB ARG 93 3.043 -9.919 2.590 693 2HB ARG 93 2HB ARG 93 3.719 -11.231 1.641 694 1HG ARG 93 1HG ARG 93 3.281 -11.915 3.927 695 2HG ARG 93 2HG ARG 93 4.998 -11.997 3.551 696 1HD ARG 93 1HD ARG 93 4.742 -11.131 5.733 697 2HD ARG 93 2HD ARG 93 5.263 -9.799 4.707 698 HE ARG 93 HE ARG 93 2.707 -9.321 4.682 699 1HH1 ARG 93 11HH ARG 93 4.650 -10.463 7.430 700 2HH1 ARG 93 12HH ARG 93 3.599 -9.823 8.608 701 1HH2 ARG 93 21HH ARG 93 1.268 -8.480 6.311 702 2HH2 ARG 93 22HH ARG 93 1.635 -8.705 7.965 703 H GLU 94 H GLU 94 6.888 -9.503 3.699 704 HA GLU 94 HA GLU 94 8.810 -11.028 2.298 705 1HB GLU 94 1HB GLU 94 10.096 -10.815 4.485 706 2HB GLU 94 2HB GLU 94 9.714 -9.312 3.663 707 1HG GLU 94 1HG GLU 94 7.916 -8.887 5.238 708 2HG GLU 94 2HG GLU 94 8.207 -10.447 6.008 Start of MODEL 9 1 1H GLY 1 1H GLY 1 14.411 -13.078 -5.570 2 2H GLY 1 2H GLY 1 15.037 -14.647 -5.375 3 3H GLY 1 3H GLY 1 15.927 -13.284 -4.869 4 1HA GLY 1 1HA GLY 1 13.354 -14.147 -3.736 5 2HA GLY 1 2HA GLY 1 14.933 -14.357 -2.989 6 H HIS 2 H HIS 2 13.885 -13.126 -1.270 7 HA HIS 2 HA HIS 2 13.679 -11.359 -0.010 8 1HB HIS 2 1HB HIS 2 15.418 -10.076 -2.081 9 2HB HIS 2 2HB HIS 2 14.704 -9.101 -0.801 10 HD1 HIS 2 HD1 HIS 2 15.848 -9.149 1.443 11 HD2 HIS 2 HD2 HIS 2 17.178 -12.126 -1.125 12 HE1 HIS 2 HE1 HIS 2 17.822 -10.215 2.579 13 H MET 3 H MET 3 11.701 -11.002 0.269 14 HA MET 3 HA MET 3 9.746 -9.975 0.308 15 1HB MET 3 1HB MET 3 11.154 -7.952 0.126 16 2HB MET 3 2HB MET 3 10.946 -7.992 -1.613 17 1HG MET 3 1HG MET 3 8.581 -7.622 -1.397 18 2HG MET 3 2HG MET 3 8.683 -7.707 0.355 19 1HE MET 3 1HE MET 3 7.242 -5.300 -0.958 20 2HE MET 3 2HE MET 3 7.935 -3.933 -0.082 21 3HE MET 3 3HE MET 3 7.535 -5.421 0.775 22 H GLU 4 H GLU 4 8.084 -10.918 -0.463 23 HA GLU 4 HA GLU 4 7.961 -11.691 -3.281 24 1HB GLU 4 1HB GLU 4 7.456 -13.329 -1.481 25 2HB GLU 4 2HB GLU 4 6.126 -12.292 -0.971 26 1HG GLU 4 1HG GLU 4 5.101 -12.650 -3.212 27 2HG GLU 4 2HG GLU 4 6.377 -13.818 -3.549 28 H LEU 5 H LEU 5 7.192 -10.084 -4.553 29 HA LEU 5 HA LEU 5 5.179 -8.277 -3.524 30 1HB LEU 5 1HB LEU 5 6.425 -8.385 -6.279 31 2HB LEU 5 2HB LEU 5 5.396 -7.115 -5.651 32 HG LEU 5 HG LEU 5 7.503 -6.209 -5.591 33 1HD1 LEU 5 11HD LEU 5 6.304 -5.895 -3.511 34 2HD1 LEU 5 12HD LEU 5 8.063 -5.839 -3.324 35 3HD1 LEU 5 13HD LEU 5 7.177 -7.300 -2.872 36 1HD2 LEU 5 21HD LEU 5 8.844 -8.192 -6.012 37 2HD2 LEU 5 22HD LEU 5 8.595 -8.720 -4.347 38 3HD2 LEU 5 23HD LEU 5 9.514 -7.252 -4.680 39 H PHE 6 H PHE 6 3.037 -8.506 -3.896 40 HA PHE 6 HA PHE 6 2.190 -10.268 -6.018 41 1HB PHE 6 1HB PHE 6 0.504 -11.185 -4.355 42 2HB PHE 6 2HB PHE 6 2.129 -11.862 -4.290 43 HD1 PHE 6 HD1 PHE 6 3.418 -11.464 -2.270 44 HD2 PHE 6 HD2 PHE 6 -0.417 -9.764 -2.762 45 HE1 PHE 6 HE1 PHE 6 3.383 -10.922 0.117 46 HE2 PHE 6 HE2 PHE 6 -0.488 -9.194 -0.353 47 HZ PHE 6 HZ PHE 6 1.425 -9.775 1.090 48 HA PRO 7 HA PRO 7 -0.968 -7.177 -6.466 49 1HB PRO 7 1HB PRO 7 -2.558 -8.454 -8.123 50 2HB PRO 7 2HB PRO 7 -1.004 -7.810 -8.640 51 1HG PRO 7 1HG PRO 7 -1.724 -10.648 -7.945 52 2HG PRO 7 2HG PRO 7 -0.667 -10.065 -9.255 53 1HD PRO 7 1HD PRO 7 0.178 -11.064 -6.831 54 2HD PRO 7 2HD PRO 7 1.119 -9.933 -7.836 55 H VAL 8 H VAL 8 -2.433 -6.728 -5.048 56 HA VAL 8 HA VAL 8 -4.411 -8.742 -4.322 57 HB VAL 8 HB VAL 8 -3.673 -6.242 -2.787 58 1HG1 VAL 8 11HG VAL 8 -5.401 -8.551 -1.945 59 2HG1 VAL 8 12HG VAL 8 -5.941 -6.924 -2.353 60 3HG1 VAL 8 13HG VAL 8 -4.938 -7.187 -0.930 61 1HG2 VAL 8 21HG VAL 8 -1.827 -7.746 -2.765 62 2HG2 VAL 8 22HG VAL 8 -2.881 -9.069 -2.210 63 3HG2 VAL 8 23HG VAL 8 -2.573 -7.677 -1.161 64 H GLU 9 H GLU 9 -6.096 -8.261 -5.728 65 HA GLU 9 HA GLU 9 -6.740 -5.471 -6.104 66 1HB GLU 9 1HB GLU 9 -6.949 -6.983 -8.064 67 2HB GLU 9 2HB GLU 9 -8.138 -7.941 -7.186 68 1HG GLU 9 1HG GLU 9 -9.647 -6.032 -7.113 69 2HG GLU 9 2HG GLU 9 -8.450 -5.047 -7.951 70 H LEU 10 H LEU 10 -7.667 -4.609 -4.381 71 HA LEU 10 HA LEU 10 -9.278 -6.284 -2.622 72 1HB LEU 10 1HB LEU 10 -7.417 -4.592 -1.945 73 2HB LEU 10 2HB LEU 10 -8.623 -3.386 -2.361 74 HG LEU 10 HG LEU 10 -10.114 -4.408 -0.627 75 1HD1 LEU 10 11HD LEU 10 -9.092 -5.784 1.086 76 2HD1 LEU 10 12HD LEU 10 -7.610 -5.868 0.133 77 3HD1 LEU 10 13HD LEU 10 -9.097 -6.587 -0.482 78 1HD2 LEU 10 21HD LEU 10 -8.999 -3.342 1.235 79 2HD2 LEU 10 22HD LEU 10 -8.871 -2.366 -0.224 80 3HD2 LEU 10 23HD LEU 10 -7.484 -3.313 0.329 81 H GLU 11 H GLU 11 -11.452 -5.579 -2.160 82 HA GLU 11 HA GLU 11 -12.431 -3.595 -4.028 83 1HB GLU 11 1HB GLU 11 -13.102 -5.901 -4.761 84 2HB GLU 11 2HB GLU 11 -13.990 -6.067 -3.254 85 1HG GLU 11 1HG GLU 11 -15.473 -4.283 -3.856 86 2HG GLU 11 2HG GLU 11 -14.510 -3.905 -5.282 87 H LYS 12 H LYS 12 -12.034 -2.209 -2.398 88 HA LYS 12 HA LYS 12 -13.158 -2.360 0.099 89 1HB LYS 12 1HB LYS 12 -11.308 -0.785 -1.320 90 2HB LYS 12 2HB LYS 12 -12.511 0.308 -0.644 91 1HG LYS 12 1HG LYS 12 -11.120 -1.824 0.826 92 2HG LYS 12 2HG LYS 12 -10.541 -0.144 0.857 93 1HD LYS 12 1HD LYS 12 -12.835 0.553 1.633 94 2HD LYS 12 2HD LYS 12 -13.225 -1.167 1.825 95 1HE LYS 12 1HE LYS 12 -11.852 -1.303 3.687 96 2HE LYS 12 2HE LYS 12 -11.057 0.248 3.334 97 1HZ LYS 12 1HZ LYS 12 -12.927 0.450 5.042 98 2HZ LYS 12 2HZ LYS 12 -13.981 -0.009 3.795 99 3HZ LYS 12 3HZ LYS 12 -13.119 1.368 3.658 100 H ASP 13 H ASP 13 -14.176 0.146 0.489 101 HA ASP 13 HA ASP 13 -16.920 -0.240 -0.363 102 1HB ASP 13 1HB ASP 13 -15.723 1.566 1.768 103 2HB ASP 13 2HB ASP 13 -17.434 1.266 1.527 104 H GLU 14 H GLU 14 -18.065 2.079 -0.479 105 HA GLU 14 HA GLU 14 -17.154 3.259 -2.882 106 1HB GLU 14 1HB GLU 14 -18.982 4.860 -2.580 107 2HB GLU 14 2HB GLU 14 -19.511 3.216 -2.243 108 1HG GLU 14 1HG GLU 14 -19.279 3.639 0.148 109 2HG GLU 14 2HG GLU 14 -18.764 5.282 -0.198 110 H ASP 15 H ASP 15 -16.436 3.980 0.373 111 HA ASP 15 HA ASP 15 -15.646 6.723 0.167 112 1HB ASP 15 1HB ASP 15 -16.248 5.631 2.282 113 2HB ASP 15 2HB ASP 15 -14.860 4.577 2.126 114 H GLY 16 H GLY 16 -14.164 3.668 -0.319 115 1HA GLY 16 1HA GLY 16 -12.168 3.442 -1.620 116 2HA GLY 16 2HA GLY 16 -11.603 4.965 -0.914 117 H LEU 17 H LEU 17 -9.823 4.243 0.169 118 HA LEU 17 HA LEU 17 -10.152 1.950 1.951 119 1HB LEU 17 1HB LEU 17 -7.730 3.703 1.899 120 2HB LEU 17 2HB LEU 17 -7.879 2.021 2.353 121 HG LEU 17 HG LEU 17 -7.971 3.180 -0.345 122 1HD1 LEU 17 11HD LEU 17 -5.978 1.461 1.084 123 2HD1 LEU 17 12HD LEU 17 -5.790 3.139 0.559 124 3HD1 LEU 17 13HD LEU 17 -5.899 1.849 -0.633 125 1HD2 LEU 17 21HD LEU 17 -9.495 1.304 -0.262 126 2HD2 LEU 17 22HD LEU 17 -8.259 0.289 0.485 127 3HD2 LEU 17 23HD LEU 17 -8.058 0.864 -1.175 128 H GLY 18 H GLY 18 -8.993 5.266 2.184 129 1HA GLY 18 1HA GLY 18 -9.090 6.791 3.858 130 2HA GLY 18 2HA GLY 18 -10.342 5.810 4.625 131 H ILE 19 H ILE 19 -7.171 4.630 3.704 132 HA ILE 19 HA ILE 19 -6.703 4.055 6.539 133 HB ILE 19 HB ILE 19 -5.021 2.468 5.866 134 1HG1 ILE 19 11HG ILE 19 -5.505 3.354 3.003 135 2HG1 ILE 19 12HG ILE 19 -4.094 3.752 3.984 136 1HG2 ILE 19 21HG ILE 19 -7.284 1.661 5.829 137 2HG2 ILE 19 22HG ILE 19 -6.409 0.925 4.476 138 3HG2 ILE 19 23HG ILE 19 -7.506 2.284 4.205 139 1HD1 ILE 19 11HD ILE 19 -4.900 0.974 3.140 140 2HD1 ILE 19 12HD ILE 19 -3.487 1.398 4.105 141 3HD1 ILE 19 13HD ILE 19 -3.603 1.936 2.430 142 H SER 20 H SER 20 -4.204 3.961 6.976 143 HA SER 20 HA SER 20 -3.082 6.614 6.347 144 1HB SER 20 1HB SER 20 -2.956 5.054 8.931 145 2HB SER 20 2HB SER 20 -2.281 6.652 8.640 146 HG SER 20 HG SER 20 -5.005 6.235 8.174 147 H ILE 21 H ILE 21 -0.869 6.686 6.200 148 HA ILE 21 HA ILE 21 0.497 4.114 5.882 149 HB ILE 21 HB ILE 21 1.742 5.135 4.005 150 1HG1 ILE 21 11HG ILE 21 0.360 7.152 2.893 151 2HG1 ILE 21 12HG ILE 21 -0.093 7.419 4.553 152 1HG2 ILE 21 21HG ILE 21 -1.233 4.972 3.582 153 2HG2 ILE 21 22HG ILE 21 -0.078 3.641 3.499 154 3HG2 ILE 21 23HG ILE 21 -0.021 4.932 2.301 155 1HD1 ILE 21 11HD ILE 21 1.808 8.815 3.898 156 2HD1 ILE 21 12HD ILE 21 2.741 7.387 3.528 157 3HD1 ILE 21 13HD ILE 21 2.240 7.698 5.182 158 H ILE 22 H ILE 22 2.843 4.381 6.128 159 HA ILE 22 HA ILE 22 3.505 6.851 7.440 160 HB ILE 22 HB ILE 22 3.022 5.325 9.245 161 1HG1 ILE 22 11HG ILE 22 6.009 5.766 9.055 162 2HG1 ILE 22 12HG ILE 22 4.823 6.966 9.558 163 1HG2 ILE 22 21HG ILE 22 4.331 3.291 9.666 164 2HG2 ILE 22 22HG ILE 22 5.141 3.527 8.116 165 3HG2 ILE 22 23HG ILE 22 3.405 3.208 8.160 166 1HD1 ILE 22 11HD ILE 22 4.255 5.618 11.491 167 2HD1 ILE 22 12HD ILE 22 5.984 5.971 11.459 168 3HD1 ILE 22 13HD ILE 22 5.397 4.379 10.976 169 H GLY 23 H GLY 23 5.317 7.721 6.744 170 1HA GLY 23 1HA GLY 23 6.818 6.219 4.792 171 2HA GLY 23 2HA GLY 23 7.001 7.955 5.097 172 H MET 24 H MET 24 8.230 4.869 5.518 173 HA MET 24 HA MET 24 10.156 5.857 7.519 174 1HB MET 24 1HB MET 24 9.202 3.006 7.153 175 2HB MET 24 2HB MET 24 10.440 3.523 8.277 176 1HG MET 24 1HG MET 24 7.539 4.273 8.345 177 2HG MET 24 2HG MET 24 8.308 3.090 9.389 178 1HE MET 24 1HE MET 24 10.312 3.798 11.140 179 2HE MET 24 2HE MET 24 10.780 5.470 11.452 180 3HE MET 24 3HE MET 24 11.157 4.726 9.901 181 H GLY 25 H GLY 25 11.511 6.593 6.024 182 1HA GLY 25 1HA GLY 25 12.269 5.363 3.646 183 2HA GLY 25 2HA GLY 25 13.245 6.526 4.524 184 H VAL 26 H VAL 26 13.031 3.466 3.423 185 HA VAL 26 HA VAL 26 15.053 2.452 5.280 186 HB VAL 26 HB VAL 26 12.835 1.228 5.149 187 1HG1 VAL 26 11HG VAL 26 12.251 1.545 2.885 188 2HG1 VAL 26 12HG VAL 26 12.330 -0.182 3.228 189 3HG1 VAL 26 13HG VAL 26 13.635 0.600 2.338 190 1HG2 VAL 26 21HG VAL 26 15.251 -0.379 4.303 191 2HG2 VAL 26 22HG VAL 26 13.764 -1.060 4.959 192 3HG2 VAL 26 23HG VAL 26 14.759 0.004 5.954 193 H GLY 27 H GLY 27 15.692 4.215 3.384 194 1HA GLY 27 1HA GLY 27 16.490 3.251 0.857 195 2HA GLY 27 2HA GLY 27 17.098 4.707 1.632 196 H ALA 28 H ALA 28 18.143 2.184 0.201 197 HA ALA 28 HA ALA 28 20.050 1.067 -0.020 198 1HB ALA 28 1HB ALA 28 21.121 2.648 2.288 199 2HB ALA 28 2HB ALA 28 21.144 3.142 0.583 200 3HB ALA 28 3HB ALA 28 22.046 1.711 1.103 201 H ASP 29 H ASP 29 19.161 1.294 3.324 202 HA ASP 29 HA ASP 29 20.420 -1.159 3.989 203 1HB ASP 29 1HB ASP 29 18.571 0.598 5.562 204 2HB ASP 29 2HB ASP 29 19.133 -0.947 6.193 205 H ALA 30 H ALA 30 17.878 -0.814 2.205 206 HA ALA 30 HA ALA 30 16.497 -3.209 3.161 207 1HB ALA 30 1HB ALA 30 14.901 -2.756 1.356 208 2HB ALA 30 2HB ALA 30 15.889 -1.398 0.823 209 3HB ALA 30 3HB ALA 30 15.099 -1.350 2.399 210 H GLY 31 H GLY 31 19.065 -2.308 1.139 211 1HA GLY 31 1HA GLY 31 20.432 -3.625 -0.171 212 2HA GLY 31 2HA GLY 31 19.283 -4.943 0.000 213 H LEU 32 H LEU 32 17.091 -4.096 -0.922 214 HA LEU 32 HA LEU 32 17.418 -4.013 -3.782 215 1HB LEU 32 1HB LEU 32 14.942 -3.962 -2.047 216 2HB LEU 32 2HB LEU 32 14.888 -3.944 -3.789 217 HG LEU 32 HG LEU 32 15.935 -6.221 -3.791 218 1HD1 LEU 32 11HD LEU 32 15.970 -7.541 -1.763 219 2HD1 LEU 32 12HD LEU 32 15.491 -6.129 -0.825 220 3HD1 LEU 32 13HD LEU 32 17.057 -6.157 -1.632 221 1HD2 LEU 32 21HD LEU 32 13.369 -5.939 -2.251 222 2HD2 LEU 32 22HD LEU 32 13.931 -7.404 -3.053 223 3HD2 LEU 32 23HD LEU 32 13.548 -5.971 -4.007 224 H GLU 33 H GLU 33 16.922 -1.719 -1.282 225 HA GLU 33 HA GLU 33 16.146 0.374 -1.080 226 1HB GLU 33 1HB GLU 33 17.121 0.691 -3.894 227 2HB GLU 33 2HB GLU 33 16.810 1.985 -2.757 228 1HG GLU 33 1HG GLU 33 18.579 1.153 -1.330 229 2HG GLU 33 2HG GLU 33 18.934 -0.119 -2.508 230 H LYS 34 H LYS 34 13.986 0.138 -0.889 231 HA LYS 34 HA LYS 34 12.532 0.916 -3.230 232 1HB LYS 34 1HB LYS 34 10.784 -0.710 -3.013 233 2HB LYS 34 2HB LYS 34 12.270 -1.629 -2.937 234 1HG LYS 34 1HG LYS 34 10.639 -0.796 -0.551 235 2HG LYS 34 2HG LYS 34 10.530 -2.363 -1.344 236 1HD LYS 34 1HD LYS 34 12.687 -2.963 -0.677 237 2HD LYS 34 2HD LYS 34 13.114 -1.295 -0.277 238 1HE LYS 34 1HE LYS 34 12.721 -2.470 1.761 239 2HE LYS 34 2HE LYS 34 11.448 -1.291 1.401 240 1HZ LYS 34 1HZ LYS 34 9.901 -2.954 0.929 241 2HZ LYS 34 2HZ LYS 34 10.727 -3.611 2.255 242 3HZ LYS 34 3HZ LYS 34 11.089 -4.136 0.708 243 H LEU 35 H LEU 35 10.143 1.204 -2.230 244 HA LEU 35 HA LEU 35 10.272 3.531 -0.725 245 1HB LEU 35 1HB LEU 35 7.921 3.344 -0.469 246 2HB LEU 35 2HB LEU 35 8.347 2.794 -2.081 247 HG LEU 35 HG LEU 35 8.108 0.737 0.049 248 1HD1 LEU 35 11HD LEU 35 5.700 0.609 -0.368 249 2HD1 LEU 35 12HD LEU 35 5.801 2.168 -1.204 250 3HD1 LEU 35 13HD LEU 35 6.235 2.028 0.508 251 1HD2 LEU 35 21HD LEU 35 7.286 0.804 -2.860 252 2HD2 LEU 35 22HD LEU 35 7.163 -0.580 -1.771 253 3HD2 LEU 35 23HD LEU 35 8.744 0.047 -2.201 254 H GLY 36 H GLY 36 9.512 3.883 1.425 255 1HA GLY 36 1HA GLY 36 9.640 1.537 3.181 256 2HA GLY 36 2HA GLY 36 10.236 3.134 3.644 257 H ILE 37 H ILE 37 7.382 2.771 1.740 258 HA ILE 37 HA ILE 37 5.896 4.104 3.824 259 HB ILE 37 HB ILE 37 4.866 3.275 1.091 260 1HG1 ILE 37 11HG ILE 37 6.862 4.866 1.161 261 2HG1 ILE 37 12HG ILE 37 5.447 5.458 0.256 262 1HG2 ILE 37 21HG ILE 37 3.126 4.954 1.534 263 2HG2 ILE 37 22HG ILE 37 3.808 5.205 3.145 264 3HG2 ILE 37 23HG ILE 37 3.119 3.646 2.721 265 1HD1 ILE 37 11HD ILE 37 6.452 6.196 2.984 266 2HD1 ILE 37 12HD ILE 37 4.910 6.748 2.322 267 3HD1 ILE 37 13HD ILE 37 6.419 7.221 1.541 268 H PHE 38 H PHE 38 5.321 2.851 5.330 269 HA PHE 38 HA PHE 38 4.245 0.192 4.763 270 1HB PHE 38 1HB PHE 38 5.066 1.544 7.325 271 2HB PHE 38 2HB PHE 38 4.263 -0.018 7.273 272 HD1 PHE 38 HD1 PHE 38 5.392 -1.963 6.380 273 HD2 PHE 38 HD2 PHE 38 7.428 1.770 6.733 274 HE1 PHE 38 HE1 PHE 38 7.544 -3.105 6.154 275 HE2 PHE 38 HE2 PHE 38 9.554 0.638 6.513 276 HZ PHE 38 HZ PHE 38 9.630 -1.814 6.230 277 H VAL 39 H VAL 39 2.260 -0.434 5.857 278 HA VAL 39 HA VAL 39 0.324 1.665 5.659 279 HB VAL 39 HB VAL 39 -0.060 -1.157 6.725 280 1HG1 VAL 39 11HG VAL 39 -2.032 0.885 5.714 281 2HG1 VAL 39 12HG VAL 39 -1.837 0.350 7.383 282 3HG1 VAL 39 13HG VAL 39 -2.427 -0.773 6.156 283 1HG2 VAL 39 21HG VAL 39 -0.488 -0.109 3.929 284 2HG2 VAL 39 22HG VAL 39 -0.927 -1.720 4.501 285 3HG2 VAL 39 23HG VAL 39 0.770 -1.237 4.435 286 H LYS 40 H LYS 40 -0.212 2.927 7.254 287 HA LYS 40 HA LYS 40 1.058 2.495 9.807 288 1HB LYS 40 1HB LYS 40 1.208 4.716 8.898 289 2HB LYS 40 2HB LYS 40 -0.535 4.811 8.737 290 1HG LYS 40 1HG LYS 40 -0.861 4.800 11.017 291 2HG LYS 40 2HG LYS 40 0.848 4.475 11.372 292 1HD LYS 40 1HD LYS 40 1.360 6.705 10.417 293 2HD LYS 40 2HD LYS 40 -0.380 6.968 10.186 294 1HE LYS 40 1HE LYS 40 -0.737 6.548 12.543 295 2HE LYS 40 2HE LYS 40 0.995 6.365 12.771 296 1HZ LYS 40 1HZ LYS 40 -0.361 8.864 11.882 297 2HZ LYS 40 2HZ LYS 40 1.297 8.670 12.054 298 3HZ LYS 40 3HZ LYS 40 0.309 8.584 13.409 299 H THR 41 H THR 41 -2.208 2.981 8.558 300 HA THR 41 HA THR 41 -3.185 1.399 10.748 301 HB THR 41 HB THR 41 -4.713 3.788 10.126 302 HG1 THR 41 HG1 THR 41 -2.344 3.674 11.759 303 1HG2 THR 41 21HG THR 41 -5.266 3.657 12.557 304 2HG2 THR 41 22HG THR 41 -4.211 2.249 12.664 305 3HG2 THR 41 23HG THR 41 -5.648 2.203 11.635 306 H VAL 42 H VAL 42 -5.390 0.707 10.161 307 HA VAL 42 HA VAL 42 -6.200 1.357 7.437 308 HB VAL 42 HB VAL 42 -6.461 -1.377 8.798 309 1HG1 VAL 42 11HG VAL 42 -7.364 -2.157 6.644 310 2HG1 VAL 42 12HG VAL 42 -7.257 -0.500 6.036 311 3HG1 VAL 42 13HG VAL 42 -8.352 -0.876 7.364 312 1HG2 VAL 42 21HG VAL 42 -4.784 -0.568 6.428 313 2HG2 VAL 42 22HG VAL 42 -4.967 -2.210 7.048 314 3HG2 VAL 42 23HG VAL 42 -4.181 -0.975 8.033 315 H THR 43 H THR 43 -8.434 1.641 7.247 316 HA THR 43 HA THR 43 -9.879 2.519 9.402 317 HB THR 43 HB THR 43 -10.454 3.116 7.099 318 HG1 THR 43 HG1 THR 43 -12.207 3.181 8.604 319 1HG2 THR 43 21HG THR 43 -11.492 1.504 5.602 320 2HG2 THR 43 22HG THR 43 -11.307 0.268 6.860 321 3HG2 THR 43 23HG THR 43 -9.875 0.961 6.095 322 H GLU 44 H GLU 44 -11.640 1.608 10.407 323 HA GLU 44 HA GLU 44 -11.116 -0.543 11.975 324 1HB GLU 44 1HB GLU 44 -12.656 1.244 12.443 325 2HB GLU 44 2HB GLU 44 -13.814 0.559 11.316 326 1HG GLU 44 1HG GLU 44 -13.931 -1.447 12.741 327 2HG GLU 44 2HG GLU 44 -12.850 -0.650 13.893 328 H GLY 45 H GLY 45 -13.835 -0.720 9.669 329 1HA GLY 45 1HA GLY 45 -13.107 -3.441 9.122 330 2HA GLY 45 2HA GLY 45 -14.570 -3.259 10.102 331 H GLY 46 H GLY 46 -13.245 -1.529 7.282 332 1HA GLY 46 1HA GLY 46 -15.700 -2.127 5.946 333 2HA GLY 46 2HA GLY 46 -14.407 -1.063 5.375 334 H ALA 47 H ALA 47 -14.623 -2.255 3.532 335 HA ALA 47 HA ALA 47 -14.066 -5.083 3.394 336 1HB ALA 47 1HB ALA 47 -15.573 -4.188 1.833 337 2HB ALA 47 2HB ALA 47 -14.153 -4.681 0.893 338 3HB ALA 47 3HB ALA 47 -14.429 -2.983 1.307 339 H ALA 48 H ALA 48 -11.970 -3.606 4.522 340 HA ALA 48 HA ALA 48 -9.712 -4.357 2.782 341 1HB ALA 48 1HB ALA 48 -8.336 -2.751 4.082 342 2HB ALA 48 2HB ALA 48 -9.771 -2.263 4.981 343 3HB ALA 48 3HB ALA 48 -9.664 -1.944 3.250 344 H GLN 49 H GLN 49 -10.321 -3.758 6.282 345 HA GLN 49 HA GLN 49 -8.824 -6.083 6.962 346 1HB GLN 49 1HB GLN 49 -10.575 -4.335 8.693 347 2HB GLN 49 2HB GLN 49 -9.648 -5.693 9.311 348 1HG GLN 49 1HG GLN 49 -7.593 -4.579 8.413 349 2HG GLN 49 2HG GLN 49 -8.600 -3.178 8.055 350 1HE2 GLN 49 21HE GLN 49 -9.402 -1.952 9.761 351 2HE2 GLN 49 22HE GLN 49 -8.802 -2.103 11.353 352 H ARG 50 H ARG 50 -12.199 -5.480 6.342 353 HA ARG 50 HA ARG 50 -13.103 -7.956 7.356 354 1HB ARG 50 1HB ARG 50 -14.221 -6.070 5.309 355 2HB ARG 50 2HB ARG 50 -14.972 -7.625 5.606 356 1HG ARG 50 1HG ARG 50 -14.499 -5.568 7.738 357 2HG ARG 50 2HG ARG 50 -15.992 -5.668 6.800 358 1HD ARG 50 1HD ARG 50 -16.344 -6.809 8.885 359 2HD ARG 50 2HD ARG 50 -16.237 -8.031 7.627 360 HE ARG 50 HE ARG 50 -14.030 -7.346 9.448 361 1HH1 ARG 50 11HH ARG 50 -15.846 -9.824 7.637 362 2HH1 ARG 50 12HH ARG 50 -14.933 -11.103 8.286 363 1HH2 ARG 50 21HH ARG 50 -12.849 -9.116 10.305 364 2HH2 ARG 50 22HH ARG 50 -13.226 -10.714 9.869 365 H ASP 51 H ASP 51 -11.467 -6.982 4.506 366 HA ASP 51 HA ASP 51 -12.026 -9.359 3.010 367 1HB ASP 51 1HB ASP 51 -11.295 -7.204 1.967 368 2HB ASP 51 2HB ASP 51 -9.704 -7.459 2.677 369 H GLY 52 H GLY 52 -9.089 -8.149 4.598 370 1HA GLY 52 1HA GLY 52 -7.891 -9.400 6.217 371 2HA GLY 52 2HA GLY 52 -8.651 -10.856 5.607 372 H ARG 53 H ARG 53 -7.870 -9.867 2.750 373 HA ARG 53 HA ARG 53 -5.432 -11.370 2.726 374 1HB ARG 53 1HB ARG 53 -7.339 -11.041 0.841 375 2HB ARG 53 2HB ARG 53 -6.276 -9.728 0.373 376 1HG ARG 53 1HG ARG 53 -5.218 -12.511 0.664 377 2HG ARG 53 2HG ARG 53 -6.020 -11.977 -0.806 378 1HD ARG 53 1HD ARG 53 -4.391 -10.261 -1.142 379 2HD ARG 53 2HD ARG 53 -3.684 -10.562 0.443 380 HE ARG 53 HE ARG 53 -2.923 -12.651 -0.341 381 1HH1 ARG 53 11HH ARG 53 -4.234 -10.692 -2.978 382 2HH1 ARG 53 12HH ARG 53 -3.080 -11.147 -4.137 383 1HH2 ARG 53 21HH ARG 53 -1.324 -13.343 -1.936 384 2HH2 ARG 53 22HH ARG 53 -1.405 -12.750 -3.527 385 H ILE 54 H ILE 54 -6.254 -8.109 3.030 386 HA ILE 54 HA ILE 54 -3.488 -7.269 2.544 387 HB ILE 54 HB ILE 54 -5.502 -6.094 1.383 388 1HG1 ILE 54 11HG ILE 54 -3.671 -4.338 3.027 389 2HG1 ILE 54 12HG ILE 54 -3.181 -5.164 1.553 390 1HG2 ILE 54 21HG ILE 54 -5.804 -5.054 4.187 391 2HG2 ILE 54 22HG ILE 54 -7.018 -5.934 3.253 392 3HG2 ILE 54 23HG ILE 54 -6.558 -4.290 2.784 393 1HD1 ILE 54 11HD ILE 54 -3.691 -2.924 0.993 394 2HD1 ILE 54 12HD ILE 54 -5.254 -3.009 1.835 395 3HD1 ILE 54 13HD ILE 54 -5.004 -3.927 0.366 396 H GLN 55 H GLN 55 -2.416 -6.111 4.298 397 HA GLN 55 HA GLN 55 -3.841 -6.335 6.833 398 1HB GLN 55 1HB GLN 55 -0.964 -7.045 6.254 399 2HB GLN 55 2HB GLN 55 -1.627 -6.916 7.870 400 1HG GLN 55 1HG GLN 55 -2.695 -8.813 5.798 401 2HG GLN 55 2HG GLN 55 -1.422 -9.237 6.942 402 1HE2 GLN 55 21HE GLN 55 -4.777 -8.402 6.587 403 2HE2 GLN 55 22HE GLN 55 -5.283 -9.004 8.119 404 H VAL 56 H VAL 56 -2.848 -4.989 8.578 405 HA VAL 56 HA VAL 56 -2.141 -2.330 7.646 406 HB VAL 56 HB VAL 56 -3.686 -2.755 9.619 407 1HG1 VAL 56 11HG VAL 56 -2.559 -4.596 10.674 408 2HG1 VAL 56 12HG VAL 56 -2.699 -3.261 11.818 409 3HG1 VAL 56 13HG VAL 56 -1.159 -3.588 11.025 410 1HG2 VAL 56 21HG VAL 56 -1.246 -1.062 10.205 411 2HG2 VAL 56 22HG VAL 56 -2.771 -0.952 11.072 412 3HG2 VAL 56 23HG VAL 56 -2.702 -0.515 9.377 413 H ASN 57 H ASN 57 -0.545 -5.114 8.229 414 HA ASN 57 HA ASN 57 1.887 -3.858 9.271 415 1HB ASN 57 1HB ASN 57 0.933 -5.783 10.511 416 2HB ASN 57 2HB ASN 57 1.095 -6.780 9.081 417 1HD2 ASN 57 21HD ASN 57 2.819 -5.095 11.607 418 2HD2 ASN 57 22HD ASN 57 4.281 -6.006 11.462 419 H ASP 58 H ASP 58 0.703 -3.928 6.479 420 HA ASP 58 HA ASP 58 2.874 -5.276 5.075 421 1HB ASP 58 1HB ASP 58 0.191 -4.316 4.071 422 2HB ASP 58 2HB ASP 58 1.474 -4.922 3.035 423 H GLN 59 H GLN 59 3.190 -4.060 2.848 424 HA GLN 59 HA GLN 59 3.676 -1.229 3.396 425 1HB GLN 59 1HB GLN 59 5.785 -2.428 3.672 426 2HB GLN 59 2HB GLN 59 5.529 -3.265 2.148 427 1HG GLN 59 1HG GLN 59 5.904 -1.271 0.907 428 2HG GLN 59 2HG GLN 59 5.897 -0.288 2.370 429 1HE2 GLN 59 21HE GLN 59 7.687 -0.273 3.659 430 2HE2 GLN 59 22HE GLN 59 9.220 -0.900 3.174 431 H ILE 60 H ILE 60 2.828 0.040 1.781 432 HA ILE 60 HA ILE 60 1.420 -1.252 -0.374 433 HB ILE 60 HB ILE 60 1.846 1.719 0.018 434 1HG1 ILE 60 11HG ILE 60 0.676 0.878 2.006 435 2HG1 ILE 60 12HG ILE 60 -0.409 1.767 0.926 436 1HG2 ILE 60 21HG ILE 60 -0.231 0.201 -1.504 437 2HG2 ILE 60 22HG ILE 60 1.190 0.944 -2.203 438 3HG2 ILE 60 23HG ILE 60 -0.063 1.964 -1.465 439 1HD1 ILE 60 11HD ILE 60 -1.347 -0.311 0.109 440 2HD1 ILE 60 12HD ILE 60 -1.497 -0.201 1.861 441 3HD1 ILE 60 13HD ILE 60 -0.253 -1.227 1.149 442 H VAL 61 H VAL 61 2.855 -2.080 -1.828 443 HA VAL 61 HA VAL 61 5.212 -0.614 -2.590 444 HB VAL 61 HB VAL 61 4.099 -3.192 -3.702 445 1HG1 VAL 61 11HG VAL 61 6.865 -2.030 -3.975 446 2HG1 VAL 61 12HG VAL 61 5.641 -2.176 -5.247 447 3HG1 VAL 61 13HG VAL 61 6.327 -3.628 -4.517 448 1HG2 VAL 61 21HG VAL 61 6.193 -2.734 -1.590 449 2HG2 VAL 61 22HG VAL 61 5.720 -4.296 -2.266 450 3HG2 VAL 61 23HG VAL 61 4.559 -3.351 -1.341 451 H GLU 62 H GLU 62 2.184 -1.487 -4.124 452 HA GLU 62 HA GLU 62 2.481 0.723 -5.990 453 1HB GLU 62 1HB GLU 62 3.511 -1.242 -7.118 454 2HB GLU 62 2HB GLU 62 2.004 -2.108 -6.849 455 1HG GLU 62 1HG GLU 62 0.819 -0.567 -8.282 456 2HG GLU 62 2HG GLU 62 2.297 0.359 -8.527 457 H VAL 63 H VAL 63 0.508 1.697 -6.092 458 HA VAL 63 HA VAL 63 -1.782 -0.044 -5.788 459 HB VAL 63 HB VAL 63 -1.323 2.672 -4.500 460 1HG1 VAL 63 11HG VAL 63 -3.739 2.950 -4.214 461 2HG1 VAL 63 12HG VAL 63 -4.035 1.561 -5.272 462 3HG1 VAL 63 13HG VAL 63 -3.278 3.028 -5.921 463 1HG2 VAL 63 21HG VAL 63 -2.790 0.198 -3.710 464 2HG2 VAL 63 22HG VAL 63 -2.418 1.596 -2.693 465 3HG2 VAL 63 23HG VAL 63 -1.118 0.574 -3.316 466 H ASP 64 H ASP 64 -2.985 -0.154 -7.440 467 HA ASP 64 HA ASP 64 -4.239 0.351 -9.251 468 1HB ASP 64 1HB ASP 64 -4.813 2.415 -7.965 469 2HB ASP 64 2HB ASP 64 -3.470 3.242 -8.734 470 H GLY 65 H GLY 65 -1.163 0.324 -9.186 471 1HA GLY 65 1HA GLY 65 0.356 -0.085 -10.933 472 2HA GLY 65 2HA GLY 65 -0.819 0.598 -12.053 473 H ILE 66 H ILE 66 -0.368 2.549 -9.316 474 HA ILE 66 HA ILE 66 0.861 4.591 -10.898 475 HB ILE 66 HB ILE 66 -0.886 4.812 -8.866 476 1HG1 ILE 66 11HG ILE 66 1.430 6.735 -9.178 477 2HG1 ILE 66 12HG ILE 66 0.064 6.638 -10.283 478 1HG2 ILE 66 21HG ILE 66 1.763 4.964 -7.452 479 2HG2 ILE 66 22HG ILE 66 0.514 3.743 -7.201 480 3HG2 ILE 66 23HG ILE 66 0.201 5.433 -6.774 481 1HD1 ILE 66 11HD ILE 66 -0.034 7.359 -7.380 482 2HD1 ILE 66 12HD ILE 66 -1.429 7.213 -8.443 483 3HD1 ILE 66 13HD ILE 66 -0.222 8.476 -8.737 484 H SER 67 H SER 67 2.025 2.042 -9.106 485 HA SER 67 HA SER 67 3.871 1.529 -7.866 486 1HB SER 67 1HB SER 67 5.025 2.720 -10.316 487 2HB SER 67 2HB SER 67 5.778 1.405 -9.365 488 HG SER 67 HG SER 67 4.111 0.024 -10.121 489 H LEU 68 H LEU 68 3.693 2.930 -6.160 490 HA LEU 68 HA LEU 68 5.079 5.421 -6.321 491 1HB LEU 68 1HB LEU 68 3.999 5.939 -4.208 492 2HB LEU 68 2HB LEU 68 2.868 5.438 -5.425 493 HG LEU 68 HG LEU 68 2.001 4.586 -3.546 494 1HD1 LEU 68 11HD LEU 68 1.895 2.888 -5.093 495 2HD1 LEU 68 12HD LEU 68 1.952 2.311 -3.441 496 3HD1 LEU 68 13HD LEU 68 3.385 2.164 -4.441 497 1HD2 LEU 68 21HD LEU 68 3.150 3.389 -1.717 498 2HD2 LEU 68 22HD LEU 68 3.701 5.053 -1.938 499 3HD2 LEU 68 23HD LEU 68 4.687 3.716 -2.526 500 H VAL 69 H VAL 69 6.611 3.091 -6.470 501 HA VAL 69 HA VAL 69 7.931 2.551 -4.014 502 HB VAL 69 HB VAL 69 8.956 2.120 -6.835 503 1HG1 VAL 69 11HG VAL 69 9.776 0.840 -4.233 504 2HG1 VAL 69 12HG VAL 69 10.726 1.984 -5.182 505 3HG1 VAL 69 13HG VAL 69 10.377 0.382 -5.826 506 1HG2 VAL 69 21HG VAL 69 7.409 0.225 -5.063 507 2HG2 VAL 69 22HG VAL 69 8.127 -0.187 -6.620 508 3HG2 VAL 69 23HG VAL 69 6.818 0.990 -6.537 509 H GLY 70 H GLY 70 8.861 4.258 -3.027 510 1HA GLY 70 1HA GLY 70 10.969 5.393 -2.788 511 2HA GLY 70 2HA GLY 70 10.976 5.638 -4.528 512 H VAL 71 H VAL 71 7.944 6.189 -3.051 513 HA VAL 71 HA VAL 71 8.390 9.047 -3.386 514 HB VAL 71 HB VAL 71 6.000 9.349 -3.361 515 1HG1 VAL 71 11HG VAL 71 6.755 7.015 -5.092 516 2HG1 VAL 71 12HG VAL 71 6.959 8.725 -5.482 517 3HG1 VAL 71 13HG VAL 71 5.341 8.044 -5.318 518 1HG2 VAL 71 21HG VAL 71 4.424 7.511 -3.065 519 2HG2 VAL 71 22HG VAL 71 5.443 7.688 -1.640 520 3HG2 VAL 71 23HG VAL 71 5.760 6.389 -2.791 521 H THR 72 H THR 72 6.967 10.379 -1.794 522 HA THR 72 HA THR 72 7.865 9.716 0.879 523 HB THR 72 HB THR 72 6.855 12.007 1.296 524 HG1 THR 72 HG1 THR 72 7.190 12.491 -1.438 525 1HG2 THR 72 21HG THR 72 9.260 11.700 1.167 526 2HG2 THR 72 22HG THR 72 8.830 13.185 0.317 527 3HG2 THR 72 23HG THR 72 9.210 11.722 -0.593 528 H GLN 73 H GLN 73 6.328 10.382 2.575 529 HA GLN 73 HA GLN 73 4.142 8.664 2.522 530 1HB GLN 73 1HB GLN 73 3.703 9.317 4.749 531 2HB GLN 73 2HB GLN 73 5.416 9.625 4.570 532 1HG GLN 73 1HG GLN 73 3.259 11.674 4.336 533 2HG GLN 73 2HG GLN 73 4.202 11.387 5.797 534 1HE2 GLN 73 21HE GLN 73 6.702 10.965 4.426 535 2HE2 GLN 73 22HE GLN 73 7.178 12.500 3.823 536 H ASN 74 H ASN 74 4.399 12.060 1.706 537 HA ASN 74 HA ASN 74 1.591 12.486 1.785 538 1HB ASN 74 1HB ASN 74 2.025 14.684 0.775 539 2HB ASN 74 2HB ASN 74 3.077 14.387 2.153 540 1HD2 ASN 74 21HD ASN 74 5.266 14.328 1.828 541 2HD2 ASN 74 22HD ASN 74 5.975 14.660 0.286 542 H PHE 75 H PHE 75 3.833 11.542 -0.734 543 HA PHE 75 HA PHE 75 1.932 11.836 -2.821 544 1HB PHE 75 1HB PHE 75 4.409 11.539 -3.236 545 2HB PHE 75 2HB PHE 75 4.218 9.873 -2.699 546 HD1 PHE 75 HD1 PHE 75 2.786 8.278 -4.068 547 HD2 PHE 75 HD2 PHE 75 3.840 12.166 -5.461 548 HE1 PHE 75 HE1 PHE 75 2.197 7.604 -6.320 549 HE2 PHE 75 HE2 PHE 75 3.244 11.487 -7.755 550 HZ PHE 75 HZ PHE 75 2.427 9.209 -8.194 551 H ALA 76 H ALA 76 3.056 9.129 -0.829 552 HA ALA 76 HA ALA 76 1.385 7.178 -1.876 553 1HB ALA 76 1HB ALA 76 2.435 7.377 0.936 554 2HB ALA 76 2HB ALA 76 3.306 6.726 -0.458 555 3HB ALA 76 3HB ALA 76 1.845 5.921 0.125 556 H ALA 77 H ALA 77 0.835 9.281 0.968 557 HA ALA 77 HA ALA 77 -1.649 8.284 1.704 558 1HB ALA 77 1HB ALA 77 -0.699 11.142 1.906 559 2HB ALA 77 2HB ALA 77 -0.359 9.865 3.073 560 3HB ALA 77 3HB ALA 77 -2.015 10.422 2.833 561 H THR 78 H THR 78 -0.818 10.640 -0.749 562 HA THR 78 HA THR 78 -3.412 11.446 -1.432 563 HB THR 78 HB THR 78 -0.857 11.338 -3.048 564 HG1 THR 78 HG1 THR 78 -0.485 12.803 -1.586 565 1HG2 THR 78 21HG THR 78 -1.927 12.980 -4.564 566 2HG2 THR 78 22HG THR 78 -3.444 12.801 -3.671 567 3HG2 THR 78 23HG THR 78 -2.771 11.429 -4.558 568 H VAL 79 H VAL 79 -1.377 8.838 -2.733 569 HA VAL 79 HA VAL 79 -3.217 7.946 -4.675 570 HB VAL 79 HB VAL 79 -1.152 6.191 -3.290 571 1HG1 VAL 79 11HG VAL 79 -2.441 5.980 -5.996 572 2HG1 VAL 79 12HG VAL 79 -2.860 5.045 -4.575 573 3HG1 VAL 79 13HG VAL 79 -1.257 4.865 -5.296 574 1HG2 VAL 79 21HG VAL 79 -0.103 8.207 -4.132 575 2HG2 VAL 79 22HG VAL 79 -0.902 7.988 -5.683 576 3HG2 VAL 79 23HG VAL 79 0.320 6.822 -5.144 577 H LEU 80 H LEU 80 -2.526 6.759 -1.404 578 HA LEU 80 HA LEU 80 -4.566 4.788 -1.386 579 1HB LEU 80 1HB LEU 80 -2.968 6.018 0.863 580 2HB LEU 80 2HB LEU 80 -4.189 4.806 1.159 581 HG LEU 80 HG LEU 80 -2.041 3.754 1.232 582 1HD1 LEU 80 11HD LEU 80 -2.198 2.056 -0.478 583 2HD1 LEU 80 12HD LEU 80 -3.380 3.042 -1.340 584 3HD1 LEU 80 13HD LEU 80 -3.755 2.416 0.267 585 1HD2 LEU 80 21HD LEU 80 -0.466 3.713 -0.623 586 2HD2 LEU 80 22HD LEU 80 -0.755 5.365 -0.070 587 3HD2 LEU 80 23HD LEU 80 -1.527 4.783 -1.542 588 H ARG 81 H ARG 81 -4.806 8.040 -1.232 589 HA ARG 81 HA ARG 81 -7.275 8.278 0.340 590 1HB ARG 81 1HB ARG 81 -5.649 10.094 0.381 591 2HB ARG 81 2HB ARG 81 -5.684 10.195 -1.366 592 1HG ARG 81 1HG ARG 81 -8.147 10.811 -1.109 593 2HG ARG 81 2HG ARG 81 -7.770 11.066 0.601 594 1HD ARG 81 1HD ARG 81 -5.925 12.592 -0.091 595 2HD ARG 81 2HD ARG 81 -6.450 12.346 -1.761 596 HE ARG 81 HE ARG 81 -8.624 13.241 -0.240 597 1HH1 ARG 81 11HH ARG 81 -5.576 14.519 -1.564 598 2HH1 ARG 81 12HH ARG 81 -6.167 16.108 -1.712 599 1HH2 ARG 81 21HH ARG 81 -9.376 15.442 -0.411 600 2HH2 ARG 81 22HH ARG 81 -8.337 16.650 -1.016 601 H ASN 82 H ASN 82 -6.073 8.538 -2.938 602 HA ASN 82 HA ASN 82 -8.587 9.209 -4.099 603 1HB ASN 82 1HB ASN 82 -5.819 8.934 -5.059 604 2HB ASN 82 2HB ASN 82 -7.089 8.760 -6.258 605 1HD2 ASN 82 21HD ASN 82 -5.571 10.893 -3.980 606 2HD2 ASN 82 22HD ASN 82 -6.340 12.333 -4.575 607 H THR 83 H THR 83 -7.608 6.426 -3.006 608 HA THR 83 HA THR 83 -8.100 4.479 -4.943 609 HB THR 83 HB THR 83 -8.664 3.096 -2.895 610 HG1 THR 83 HG1 THR 83 -9.068 5.422 -1.892 611 1HG2 THR 83 21HG THR 83 -6.412 3.206 -3.881 612 2HG2 THR 83 22HG THR 83 -6.316 3.153 -2.122 613 3HG2 THR 83 23HG THR 83 -6.084 4.680 -2.971 614 H LYS 84 H LYS 84 -9.863 3.168 -5.266 615 HA LYS 84 HA LYS 84 -12.497 4.190 -4.501 616 1HB LYS 84 1HB LYS 84 -11.501 2.995 -7.096 617 2HB LYS 84 2HB LYS 84 -13.207 3.080 -6.706 618 1HG LYS 84 1HG LYS 84 -11.365 5.446 -6.890 619 2HG LYS 84 2HG LYS 84 -12.483 4.911 -8.153 620 1HD LYS 84 1HD LYS 84 -14.350 5.183 -6.598 621 2HD LYS 84 2HD LYS 84 -13.243 5.763 -5.360 622 1HE LYS 84 1HE LYS 84 -12.642 7.642 -6.736 623 2HE LYS 84 2HE LYS 84 -13.696 7.057 -8.028 624 1HZ LYS 84 1HZ LYS 84 -15.566 7.251 -6.476 625 2HZ LYS 84 2HZ LYS 84 -14.847 8.733 -6.799 626 3HZ LYS 84 3HZ LYS 84 -14.550 7.946 -5.326 627 H GLY 85 H GLY 85 -13.893 1.995 -5.449 628 1HA GLY 85 1HA GLY 85 -13.692 0.128 -3.390 629 2HA GLY 85 2HA GLY 85 -14.529 -0.147 -4.913 630 H ASN 86 H ASN 86 -12.954 -0.583 -6.785 631 HA ASN 86 HA ASN 86 -11.310 -2.776 -5.861 632 1HB ASN 86 1HB ASN 86 -12.032 -1.938 -8.675 633 2HB ASN 86 2HB ASN 86 -10.968 -3.297 -8.304 634 1HD2 ASN 86 21HD ASN 86 -11.872 -5.178 -7.362 635 2HD2 ASN 86 22HD ASN 86 -13.584 -5.420 -7.322 636 H VAL 87 H VAL 87 -9.330 -2.663 -5.430 637 HA VAL 87 HA VAL 87 -7.655 -0.551 -6.651 638 HB VAL 87 HB VAL 87 -7.227 -1.534 -3.881 639 1HG1 VAL 87 11HG VAL 87 -6.432 0.991 -5.270 640 2HG1 VAL 87 12HG VAL 87 -5.428 -0.413 -4.880 641 3HG1 VAL 87 13HG VAL 87 -6.085 0.586 -3.581 642 1HG2 VAL 87 21HG VAL 87 -8.419 0.458 -3.014 643 2HG2 VAL 87 22HG VAL 87 -9.413 -0.790 -3.763 644 3HG2 VAL 87 23HG VAL 87 -9.077 0.705 -4.647 645 H ARG 88 H ARG 88 -5.871 -1.412 -7.514 646 HA ARG 88 HA ARG 88 -5.076 -4.118 -6.757 647 1HB ARG 88 1HB ARG 88 -4.288 -2.314 -9.009 648 2HB ARG 88 2HB ARG 88 -3.448 -3.821 -8.651 649 1HG ARG 88 1HG ARG 88 -5.412 -5.088 -8.992 650 2HG ARG 88 2HG ARG 88 -6.397 -3.628 -9.164 651 1HD ARG 88 1HD ARG 88 -5.897 -4.651 -11.293 652 2HD ARG 88 2HD ARG 88 -5.198 -3.031 -11.134 653 HE ARG 88 HE ARG 88 -3.060 -4.134 -10.677 654 1HH1 ARG 88 11HH ARG 88 -5.541 -6.069 -12.371 655 2HH1 ARG 88 12HH ARG 88 -4.433 -6.980 -13.260 656 1HH2 ARG 88 21HH ARG 88 -1.524 -5.465 -11.890 657 2HH2 ARG 88 22HH ARG 88 -2.099 -6.660 -12.945 658 H PHE 89 H PHE 89 -4.096 -4.058 -4.929 659 HA PHE 89 HA PHE 89 -1.887 -2.207 -4.436 660 1HB PHE 89 1HB PHE 89 -3.026 -4.429 -2.717 661 2HB PHE 89 2HB PHE 89 -1.812 -3.272 -2.240 662 HD1 PHE 89 HD1 PHE 89 -5.332 -3.860 -2.791 663 HD2 PHE 89 HD2 PHE 89 -2.377 -1.038 -1.691 664 HE1 PHE 89 HE1 PHE 89 -7.062 -2.413 -1.799 665 HE2 PHE 89 HE2 PHE 89 -4.102 0.414 -0.732 666 HZ PHE 89 HZ PHE 89 -6.455 -0.307 -0.777 667 H VAL 90 H VAL 90 -0.012 -2.945 -5.333 668 HA VAL 90 HA VAL 90 0.279 -5.854 -5.421 669 HB VAL 90 HB VAL 90 2.142 -3.946 -6.881 670 1HG1 VAL 90 11HG VAL 90 1.572 -6.867 -7.272 671 2HG1 VAL 90 12HG VAL 90 3.019 -6.168 -6.549 672 3HG1 VAL 90 13HG VAL 90 2.662 -5.886 -8.253 673 1HG2 VAL 90 21HG VAL 90 -0.150 -3.550 -7.656 674 2HG2 VAL 90 22HG VAL 90 -0.337 -5.283 -7.965 675 3HG2 VAL 90 23HG VAL 90 0.820 -4.338 -8.904 676 H ILE 91 H ILE 91 0.433 -5.527 -3.215 677 HA ILE 91 HA ILE 91 2.671 -4.320 -1.930 678 HB ILE 91 HB ILE 91 0.329 -6.001 -1.056 679 1HG1 ILE 91 11HG ILE 91 1.061 -3.158 -0.460 680 2HG1 ILE 91 12HG ILE 91 -0.076 -3.643 -1.705 681 1HG2 ILE 91 21HG ILE 91 2.161 -6.579 0.456 682 2HG2 ILE 91 22HG ILE 91 0.887 -5.675 1.266 683 3HG2 ILE 91 23HG ILE 91 2.394 -4.866 0.826 684 1HD1 ILE 91 11HD ILE 91 -1.489 -4.610 -0.003 685 2HD1 ILE 91 12HD ILE 91 -1.205 -2.875 0.214 686 3HD1 ILE 91 13HD ILE 91 -0.357 -4.049 1.245 687 H GLY 92 H GLY 92 4.179 -5.490 -0.720 688 1HA GLY 92 1HA GLY 92 4.394 -8.262 -1.500 689 2HA GLY 92 2HA GLY 92 5.804 -7.200 -1.586 690 H ARG 93 H ARG 93 5.423 -9.514 0.063 691 HA ARG 93 HA ARG 93 5.484 -8.243 2.709 692 1HB ARG 93 1HB ARG 93 3.821 -10.211 1.963 693 2HB ARG 93 2HB ARG 93 5.208 -11.208 2.371 694 1HG ARG 93 1HG ARG 93 3.762 -9.303 4.212 695 2HG ARG 93 2HG ARG 93 3.613 -11.054 4.207 696 1HD ARG 93 1HD ARG 93 5.984 -11.233 4.826 697 2HD ARG 93 2HD ARG 93 6.103 -9.474 4.835 698 HE ARG 93 HE ARG 93 4.021 -10.100 6.487 699 1HH1 ARG 93 11HH ARG 93 7.587 -10.539 6.485 700 2HH1 ARG 93 12HH ARG 93 7.649 -10.853 8.136 701 1HH2 ARG 93 21HH ARG 93 4.189 -10.504 8.760 702 2HH2 ARG 93 22HH ARG 93 5.697 -10.816 9.490 703 H GLU 94 H GLU 94 7.398 -8.352 3.778 704 HA GLU 94 HA GLU 94 9.597 -9.706 2.464 705 1HB GLU 94 1HB GLU 94 9.602 -7.763 4.791 706 2HB GLU 94 2HB GLU 94 11.029 -8.426 4.013 707 1HG GLU 94 1HG GLU 94 10.232 -7.354 1.884 708 2HG GLU 94 2HG GLU 94 9.011 -6.536 2.850 Start of MODEL 10 1 1H GLY 1 1H GLY 1 15.969 -6.623 -2.352 2 2H GLY 1 2H GLY 1 16.763 -6.693 -3.823 3 3H GLY 1 3H GLY 1 17.656 -6.559 -2.396 4 1HA GLY 1 1HA GLY 1 17.697 -8.837 -3.268 5 2HA GLY 1 2HA GLY 1 16.861 -8.742 -1.714 6 H HIS 2 H HIS 2 15.613 -10.614 -2.220 7 HA HIS 2 HA HIS 2 13.762 -10.237 -4.422 8 1HB HIS 2 1HB HIS 2 13.015 -12.522 -4.106 9 2HB HIS 2 2HB HIS 2 14.765 -12.525 -4.081 10 HD1 HIS 2 HD1 HIS 2 11.886 -13.782 -2.246 11 HD2 HIS 2 HD2 HIS 2 15.797 -12.721 -1.329 12 HE1 HIS 2 HE1 HIS 2 12.390 -14.842 -0.042 13 H MET 3 H MET 3 11.461 -10.552 -4.012 14 HA MET 3 HA MET 3 10.387 -10.328 -1.374 15 1HB MET 3 1HB MET 3 11.225 -7.976 -1.922 16 2HB MET 3 2HB MET 3 10.114 -7.977 -3.275 17 1HG MET 3 1HG MET 3 8.246 -8.026 -1.853 18 2HG MET 3 2HG MET 3 9.237 -8.287 -0.398 19 1HE MET 3 1HE MET 3 7.183 -6.047 -0.108 20 2HE MET 3 2HE MET 3 8.148 -4.659 0.393 21 3HE MET 3 3HE MET 3 8.496 -6.259 1.050 22 H GLU 4 H GLU 4 8.278 -11.074 -1.510 23 HA GLU 4 HA GLU 4 7.507 -11.822 -4.202 24 1HB GLU 4 1HB GLU 4 7.362 -13.554 -2.442 25 2HB GLU 4 2HB GLU 4 6.282 -12.484 -1.541 26 1HG GLU 4 1HG GLU 4 4.525 -12.768 -3.051 27 2HG GLU 4 2HG GLU 4 5.580 -13.427 -4.293 28 H LEU 5 H LEU 5 6.667 -10.146 -5.260 29 HA LEU 5 HA LEU 5 4.904 -8.352 -3.872 30 1HB LEU 5 1HB LEU 5 5.789 -8.346 -6.762 31 2HB LEU 5 2HB LEU 5 4.886 -7.081 -5.964 32 HG LEU 5 HG LEU 5 7.010 -6.208 -6.057 33 1HD1 LEU 5 11HD LEU 5 6.992 -7.486 -3.416 34 2HD1 LEU 5 12HD LEU 5 6.119 -6.016 -3.867 35 3HD1 LEU 5 13HD LEU 5 7.889 -6.038 -3.871 36 1HD2 LEU 5 21HD LEU 5 9.094 -7.366 -5.555 37 2HD2 LEU 5 22HD LEU 5 8.217 -8.181 -6.852 38 3HD2 LEU 5 23HD LEU 5 8.195 -8.842 -5.219 39 H PHE 6 H PHE 6 2.787 -8.487 -3.920 40 HA PHE 6 HA PHE 6 1.571 -10.207 -5.902 41 1HB PHE 6 1HB PHE 6 0.028 -10.944 -4.023 42 2HB PHE 6 2HB PHE 6 1.621 -11.682 -4.099 43 HD1 PHE 6 HD1 PHE 6 3.134 -11.351 -2.268 44 HD2 PHE 6 HD2 PHE 6 -0.530 -9.272 -2.438 45 HE1 PHE 6 HE1 PHE 6 3.477 -10.638 0.052 46 HE2 PHE 6 HE2 PHE 6 -0.225 -8.518 -0.078 47 HZ PHE 6 HZ PHE 6 1.794 -9.211 1.161 48 HA PRO 7 HA PRO 7 -1.388 -6.892 -6.005 49 1HB PRO 7 1HB PRO 7 -3.092 -7.976 -7.640 50 2HB PRO 7 2HB PRO 7 -1.503 -7.456 -8.197 51 1HG PRO 7 1HG PRO 7 -2.409 -10.259 -7.513 52 2HG PRO 7 2HG PRO 7 -1.417 -9.731 -8.902 53 1HD PRO 7 1HD PRO 7 -0.479 -10.802 -6.533 54 2HD PRO 7 2HD PRO 7 0.470 -9.745 -7.618 55 H VAL 8 H VAL 8 -2.736 -6.550 -4.424 56 HA VAL 8 HA VAL 8 -4.639 -8.646 -3.763 57 HB VAL 8 HB VAL 8 -4.098 -6.118 -2.179 58 1HG1 VAL 8 11HG VAL 8 -5.591 -8.613 -1.418 59 2HG1 VAL 8 12HG VAL 8 -6.288 -7.033 -1.774 60 3HG1 VAL 8 13HG VAL 8 -5.269 -7.246 -0.350 61 1HG2 VAL 8 21HG VAL 8 -2.101 -7.462 -2.204 62 2HG2 VAL 8 22HG VAL 8 -3.014 -8.888 -1.705 63 3HG2 VAL 8 23HG VAL 8 -2.835 -7.514 -0.597 64 H GLU 9 H GLU 9 -6.430 -8.380 -4.896 65 HA GLU 9 HA GLU 9 -7.178 -5.718 -5.745 66 1HB GLU 9 1HB GLU 9 -7.150 -7.474 -7.495 67 2HB GLU 9 2HB GLU 9 -8.285 -8.424 -6.549 68 1HG GLU 9 1HG GLU 9 -9.983 -6.696 -6.810 69 2HG GLU 9 2HG GLU 9 -8.847 -5.707 -7.721 70 H LEU 10 H LEU 10 -8.218 -4.744 -4.243 71 HA LEU 10 HA LEU 10 -9.926 -6.350 -2.515 72 1HB LEU 10 1HB LEU 10 -7.948 -4.522 -1.958 73 2HB LEU 10 2HB LEU 10 -9.405 -3.565 -1.840 74 HG LEU 10 HG LEU 10 -8.743 -6.020 -0.195 75 1HD1 LEU 10 11HD LEU 10 -9.022 -3.176 0.532 76 2HD1 LEU 10 12HD LEU 10 -7.504 -4.079 0.325 77 3HD1 LEU 10 13HD LEU 10 -8.634 -4.526 1.620 78 1HD2 LEU 10 21HD LEU 10 -11.075 -6.046 -0.516 79 2HD2 LEU 10 22HD LEU 10 -11.200 -4.302 -0.281 80 3HD2 LEU 10 23HD LEU 10 -10.799 -5.346 1.084 81 H GLU 11 H GLU 11 -11.940 -5.481 -2.073 82 HA GLU 11 HA GLU 11 -12.915 -3.536 -4.000 83 1HB GLU 11 1HB GLU 11 -13.731 -5.814 -4.569 84 2HB GLU 11 2HB GLU 11 -14.401 -5.948 -2.948 85 1HG GLU 11 1HG GLU 11 -15.873 -4.031 -3.422 86 2HG GLU 11 2HG GLU 11 -15.238 -3.977 -5.066 87 H LYS 12 H LYS 12 -12.894 -1.896 -2.752 88 HA LYS 12 HA LYS 12 -14.067 -2.009 -0.123 89 1HB LYS 12 1HB LYS 12 -12.489 0.072 -1.609 90 2HB LYS 12 2HB LYS 12 -13.294 0.492 -0.108 91 1HG LYS 12 1HG LYS 12 -11.272 -1.705 -0.520 92 2HG LYS 12 2HG LYS 12 -10.892 -0.101 0.156 93 1HD LYS 12 1HD LYS 12 -13.040 -1.580 1.400 94 2HD LYS 12 2HD LYS 12 -11.469 -2.390 1.580 95 1HE LYS 12 1HE LYS 12 -11.833 -1.120 3.512 96 2HE LYS 12 2HE LYS 12 -10.724 -0.153 2.588 97 1HZ LYS 12 1HZ LYS 12 -12.468 1.268 3.440 98 2HZ LYS 12 2HZ LYS 12 -13.672 0.324 2.782 99 3HZ LYS 12 3HZ LYS 12 -12.649 1.203 1.782 100 H ASP 13 H ASP 13 -15.369 0.255 0.241 101 HA ASP 13 HA ASP 13 -17.549 -0.022 -1.681 102 1HB ASP 13 1HB ASP 13 -18.035 -0.692 0.640 103 2HB ASP 13 2HB ASP 13 -17.574 0.881 1.238 104 H GLU 14 H GLU 14 -18.740 2.458 -0.750 105 HA GLU 14 HA GLU 14 -17.470 3.991 -2.827 106 1HB GLU 14 1HB GLU 14 -19.342 5.594 -2.503 107 2HB GLU 14 2HB GLU 14 -19.834 3.944 -2.859 108 1HG GLU 14 1HG GLU 14 -20.259 3.593 -0.463 109 2HG GLU 14 2HG GLU 14 -19.847 5.284 -0.174 110 H ASP 15 H ASP 15 -17.076 3.916 0.494 111 HA ASP 15 HA ASP 15 -16.381 6.675 0.890 112 1HB ASP 15 1HB ASP 15 -16.897 5.354 2.844 113 2HB ASP 15 2HB ASP 15 -15.616 4.218 2.463 114 H GLY 16 H GLY 16 -14.567 3.767 0.180 115 1HA GLY 16 1HA GLY 16 -12.698 4.162 -1.420 116 2HA GLY 16 2HA GLY 16 -12.208 5.458 -0.319 117 H LEU 17 H LEU 17 -10.456 4.761 0.733 118 HA LEU 17 HA LEU 17 -10.501 1.949 1.614 119 1HB LEU 17 1HB LEU 17 -8.153 3.769 1.932 120 2HB LEU 17 2HB LEU 17 -8.209 2.026 1.973 121 HG LEU 17 HG LEU 17 -8.391 3.827 -0.346 122 1HD1 LEU 17 11HD LEU 17 -6.463 1.683 0.462 123 2HD1 LEU 17 12HD LEU 17 -6.196 3.430 0.435 124 3HD1 LEU 17 13HD LEU 17 -6.415 2.547 -1.076 125 1HD2 LEU 17 21HD LEU 17 -10.011 2.055 -0.725 126 2HD2 LEU 17 22HD LEU 17 -8.805 0.833 -0.332 127 3HD2 LEU 17 23HD LEU 17 -8.616 1.837 -1.777 128 H GLY 18 H GLY 18 -9.507 5.101 2.804 129 1HA GLY 18 1HA GLY 18 -9.789 6.019 4.862 130 2HA GLY 18 2HA GLY 18 -10.724 4.603 5.341 131 H ILE 19 H ILE 19 -7.531 4.371 3.902 132 HA ILE 19 HA ILE 19 -6.655 3.298 6.496 133 HB ILE 19 HB ILE 19 -4.999 1.939 5.410 134 1HG1 ILE 19 11HG ILE 19 -5.847 3.160 2.782 135 2HG1 ILE 19 12HG ILE 19 -4.377 3.577 3.662 136 1HG2 ILE 19 21HG ILE 19 -7.215 0.994 5.445 137 2HG2 ILE 19 22HG ILE 19 -6.399 0.510 3.956 138 3HG2 ILE 19 23HG ILE 19 -7.612 1.791 3.927 139 1HD1 ILE 19 11HD ILE 19 -5.044 0.863 2.529 140 2HD1 ILE 19 12HD ILE 19 -3.591 1.269 3.440 141 3HD1 ILE 19 13HD ILE 19 -3.877 2.010 1.869 142 H SER 20 H SER 20 -4.076 3.393 6.610 143 HA SER 20 HA SER 20 -3.223 6.140 6.024 144 1HB SER 20 1HB SER 20 -3.012 4.748 8.710 145 2HB SER 20 2HB SER 20 -2.474 6.383 8.342 146 HG SER 20 HG SER 20 -4.576 6.995 8.030 147 H ILE 21 H ILE 21 -0.972 6.383 5.952 148 HA ILE 21 HA ILE 21 0.546 3.876 5.590 149 HB ILE 21 HB ILE 21 1.803 5.013 3.836 150 1HG1 ILE 21 11HG ILE 21 0.413 7.183 2.886 151 2HG1 ILE 21 12HG ILE 21 0.083 7.322 4.583 152 1HG2 ILE 21 21HG ILE 21 -1.167 4.968 3.326 153 2HG2 ILE 21 22HG ILE 21 -0.049 3.612 3.169 154 3HG2 ILE 21 23HG ILE 21 0.077 4.991 2.078 155 1HD1 ILE 21 11HD ILE 21 2.436 7.459 5.097 156 2HD1 ILE 21 12HD ILE 21 1.975 8.670 3.915 157 3HD1 ILE 21 13HD ILE 21 2.846 7.255 3.404 158 H ILE 22 H ILE 22 2.900 4.198 5.844 159 HA ILE 22 HA ILE 22 3.607 6.581 7.275 160 HB ILE 22 HB ILE 22 3.101 5.009 9.012 161 1HG1 ILE 22 11HG ILE 22 6.076 5.435 8.722 162 2HG1 ILE 22 12HG ILE 22 4.919 6.560 9.416 163 1HG2 ILE 22 21HG ILE 22 5.139 3.195 7.781 164 2HG2 ILE 22 22HG ILE 22 3.396 2.918 7.841 165 3HG2 ILE 22 23HG ILE 22 4.349 2.911 9.334 166 1HD1 ILE 22 11HD ILE 22 4.490 5.006 11.228 167 2HD1 ILE 22 12HD ILE 22 6.203 5.428 11.118 168 3HD1 ILE 22 13HD ILE 22 5.637 3.867 10.522 169 H GLY 23 H GLY 23 5.471 7.370 6.603 170 1HA GLY 23 1HA GLY 23 6.879 5.840 4.567 171 2HA GLY 23 2HA GLY 23 7.004 7.587 4.825 172 H MET 24 H MET 24 8.387 4.643 5.223 173 HA MET 24 HA MET 24 10.327 5.757 7.155 174 1HB MET 24 1HB MET 24 9.513 2.839 6.965 175 2HB MET 24 2HB MET 24 10.671 3.514 8.094 176 1HG MET 24 1HG MET 24 7.723 4.082 8.010 177 2HG MET 24 2HG MET 24 8.523 3.046 9.178 178 1HE MET 24 1HE MET 24 10.250 4.007 11.022 179 2HE MET 24 2HE MET 24 10.653 5.713 11.194 180 3HE MET 24 3HE MET 24 11.202 4.820 9.777 181 H GLY 25 H GLY 25 11.752 6.393 5.634 182 1HA GLY 25 1HA GLY 25 12.343 5.163 3.223 183 2HA GLY 25 2HA GLY 25 13.388 6.294 4.058 184 H VAL 26 H VAL 26 12.770 3.029 3.277 185 HA VAL 26 HA VAL 26 15.028 2.030 4.800 186 HB VAL 26 HB VAL 26 12.875 0.741 4.648 187 1HG1 VAL 26 11HG VAL 26 12.297 -0.521 2.637 188 2HG1 VAL 26 12HG VAL 26 13.556 0.344 1.759 189 3HG1 VAL 26 13HG VAL 26 12.180 1.226 2.420 190 1HG2 VAL 26 21HG VAL 26 15.272 -0.723 3.534 191 2HG2 VAL 26 22HG VAL 26 13.846 -1.498 4.221 192 3HG2 VAL 26 23HG VAL 26 14.878 -0.489 5.237 193 H GLY 27 H GLY 27 15.717 3.911 3.082 194 1HA GLY 27 1HA GLY 27 16.695 2.776 0.592 195 2HA GLY 27 2HA GLY 27 16.860 4.453 1.106 196 H ALA 28 H ALA 28 18.315 1.454 0.870 197 HA ALA 28 HA ALA 28 20.330 0.631 1.210 198 1HB ALA 28 1HB ALA 28 21.225 3.402 2.015 199 2HB ALA 28 2HB ALA 28 21.162 2.785 0.363 200 3HB ALA 28 3HB ALA 28 22.268 2.050 1.533 201 H ASP 29 H ASP 29 19.053 -0.359 2.774 202 HA ASP 29 HA ASP 29 20.123 0.180 5.464 203 1HB ASP 29 1HB ASP 29 17.838 1.179 5.175 204 2HB ASP 29 2HB ASP 29 17.228 -0.455 4.942 205 H ALA 30 H ALA 30 17.928 -2.076 3.828 206 HA ALA 30 HA ALA 30 19.348 -4.240 5.236 207 1HB ALA 30 1HB ALA 30 17.199 -5.315 5.659 208 2HB ALA 30 2HB ALA 30 16.380 -3.946 4.897 209 3HB ALA 30 3HB ALA 30 17.293 -3.709 6.379 210 H GLY 31 H GLY 31 18.968 -3.163 2.194 211 1HA GLY 31 1HA GLY 31 19.706 -4.584 0.424 212 2HA GLY 31 2HA GLY 31 18.887 -5.920 1.224 213 H LEU 32 H LEU 32 16.775 -3.649 1.603 214 HA LEU 32 HA LEU 32 15.166 -4.563 -0.598 215 1HB LEU 32 1HB LEU 32 14.548 -2.730 1.717 216 2HB LEU 32 2HB LEU 32 13.407 -3.009 0.421 217 HG LEU 32 HG LEU 32 13.391 -5.440 1.033 218 1HD1 LEU 32 11HD LEU 32 14.244 -6.151 3.195 219 2HD1 LEU 32 12HD LEU 32 14.951 -4.557 3.448 220 3HD1 LEU 32 13HD LEU 32 15.555 -5.589 2.154 221 1HD2 LEU 32 21HD LEU 32 12.611 -3.508 3.207 222 2HD2 LEU 32 22HD LEU 32 12.014 -5.159 3.040 223 3HD2 LEU 32 23HD LEU 32 11.640 -3.957 1.804 224 H GLU 33 H GLU 33 16.524 -1.486 0.514 225 HA GLU 33 HA GLU 33 16.604 0.539 -0.380 226 1HB GLU 33 1HB GLU 33 17.894 -1.286 -2.342 227 2HB GLU 33 2HB GLU 33 17.903 0.452 -2.598 228 1HG GLU 33 1HG GLU 33 19.926 -0.298 -1.512 229 2HG GLU 33 2HG GLU 33 19.030 0.799 -0.495 230 H LYS 34 H LYS 34 14.309 0.808 -0.501 231 HA LYS 34 HA LYS 34 13.397 1.529 -3.113 232 1HB LYS 34 1HB LYS 34 11.492 -0.007 -3.084 233 2HB LYS 34 2HB LYS 34 13.024 -0.878 -3.093 234 1HG LYS 34 1HG LYS 34 12.765 -1.136 -0.590 235 2HG LYS 34 2HG LYS 34 11.118 -0.541 -0.786 236 1HD LYS 34 1HD LYS 34 12.287 -2.988 -2.127 237 2HD LYS 34 2HD LYS 34 11.197 -2.990 -0.746 238 1HE LYS 34 1HE LYS 34 9.418 -2.076 -2.071 239 2HE LYS 34 2HE LYS 34 10.503 -1.822 -3.437 240 1HZ LYS 34 1HZ LYS 34 10.816 -4.189 -3.586 241 2HZ LYS 34 2HZ LYS 34 9.196 -3.811 -3.766 242 3HZ LYS 34 3HZ LYS 34 9.767 -4.470 -2.305 243 H LEU 35 H LEU 35 10.772 1.688 -2.540 244 HA LEU 35 HA LEU 35 10.346 3.894 -0.936 245 1HB LEU 35 1HB LEU 35 8.016 3.373 -1.203 246 2HB LEU 35 2HB LEU 35 8.856 2.972 -2.690 247 HG LEU 35 HG LEU 35 8.896 0.597 -1.343 248 1HD1 LEU 35 11HD LEU 35 6.552 0.193 -0.686 249 2HD1 LEU 35 12HD LEU 35 6.286 1.933 -0.721 250 3HD1 LEU 35 13HD LEU 35 7.475 1.225 0.381 251 1HD2 LEU 35 21HD LEU 35 8.449 0.896 -3.683 252 2HD2 LEU 35 22HD LEU 35 6.829 1.525 -3.319 253 3HD2 LEU 35 23HD LEU 35 7.248 -0.146 -2.936 254 H GLY 36 H GLY 36 9.501 4.050 1.202 255 1HA GLY 36 1HA GLY 36 9.710 1.573 2.758 256 2HA GLY 36 2HA GLY 36 10.243 3.141 3.362 257 H ILE 37 H ILE 37 7.423 2.712 1.438 258 HA ILE 37 HA ILE 37 5.886 3.893 3.531 259 HB ILE 37 HB ILE 37 4.959 2.977 0.802 260 1HG1 ILE 37 11HG ILE 37 6.733 4.795 0.932 261 2HG1 ILE 37 12HG ILE 37 5.253 5.258 0.050 262 1HG2 ILE 37 21HG ILE 37 3.001 4.447 1.267 263 2HG2 ILE 37 22HG ILE 37 3.638 4.714 2.897 264 3HG2 ILE 37 23HG ILE 37 3.129 3.108 2.414 265 1HD1 ILE 37 11HD ILE 37 6.169 5.992 2.815 266 2HD1 ILE 37 12HD ILE 37 4.579 6.380 2.170 267 3HD1 ILE 37 13HD ILE 37 6.024 7.059 1.413 268 H PHE 38 H PHE 38 5.395 2.670 5.069 269 HA PHE 38 HA PHE 38 4.379 -0.022 4.565 270 1HB PHE 38 1HB PHE 38 5.344 1.332 7.085 271 2HB PHE 38 2HB PHE 38 4.608 -0.260 7.093 272 HD1 PHE 38 HD1 PHE 38 5.785 -2.159 6.017 273 HD2 PHE 38 HD2 PHE 38 7.616 1.659 6.455 274 HE1 PHE 38 HE1 PHE 38 7.990 -3.175 5.632 275 HE2 PHE 38 HE2 PHE 38 9.825 0.646 6.068 276 HZ PHE 38 HZ PHE 38 10.014 -1.770 5.656 277 H VAL 39 H VAL 39 2.503 -0.607 5.873 278 HA VAL 39 HA VAL 39 0.572 1.498 5.615 279 HB VAL 39 HB VAL 39 0.197 -1.346 6.625 280 1HG1 VAL 39 11HG VAL 39 -2.161 -1.005 6.035 281 2HG1 VAL 39 12HG VAL 39 -1.804 0.663 5.591 282 3HG1 VAL 39 13HG VAL 39 -1.625 0.140 7.265 283 1HG2 VAL 39 21HG VAL 39 -0.176 -0.246 3.836 284 2HG2 VAL 39 22HG VAL 39 -0.561 -1.891 4.345 285 3HG2 VAL 39 23HG VAL 39 1.110 -1.322 4.349 286 H LYS 40 H LYS 40 -0.210 2.654 7.252 287 HA LYS 40 HA LYS 40 1.106 2.283 9.803 288 1HB LYS 40 1HB LYS 40 1.187 4.533 8.920 289 2HB LYS 40 2HB LYS 40 -0.544 4.561 8.716 290 1HG LYS 40 1HG LYS 40 -0.068 5.956 10.561 291 2HG LYS 40 2HG LYS 40 -0.761 4.492 11.226 292 1HD LYS 40 1HD LYS 40 2.210 5.126 11.167 293 2HD LYS 40 2HD LYS 40 1.159 5.439 12.539 294 1HE LYS 40 1HE LYS 40 0.649 2.948 12.532 295 2HE LYS 40 2HE LYS 40 1.944 2.811 11.347 296 1HZ LYS 40 1HZ LYS 40 3.514 3.699 12.955 297 2HZ LYS 40 2HZ LYS 40 2.747 2.327 13.527 298 3HZ LYS 40 3HZ LYS 40 2.288 3.825 14.110 299 H THR 41 H THR 41 -2.123 2.524 8.419 300 HA THR 41 HA THR 41 -3.219 0.977 10.598 301 HB THR 41 HB THR 41 -4.574 3.451 9.835 302 HG1 THR 41 HG1 THR 41 -2.447 3.188 11.764 303 1HG2 THR 41 21HG THR 41 -4.520 1.865 12.398 304 2HG2 THR 41 22HG THR 41 -5.818 1.940 11.196 305 3HG2 THR 41 23HG THR 41 -5.447 3.349 12.187 306 H VAL 42 H VAL 42 -5.490 0.442 9.942 307 HA VAL 42 HA VAL 42 -5.974 0.839 7.112 308 HB VAL 42 HB VAL 42 -6.583 -1.735 8.634 309 1HG1 VAL 42 11HG VAL 42 -8.021 -1.300 6.753 310 2HG1 VAL 42 12HG VAL 42 -6.964 -2.672 6.395 311 3HG1 VAL 42 13HG VAL 42 -6.618 -1.067 5.719 312 1HG2 VAL 42 21HG VAL 42 -4.159 -1.518 8.439 313 2HG2 VAL 42 22HG VAL 42 -4.319 -1.261 6.702 314 3HG2 VAL 42 23HG VAL 42 -4.765 -2.817 7.410 315 H THR 43 H THR 43 -8.382 0.602 6.762 316 HA THR 43 HA THR 43 -9.718 2.114 8.730 317 HB THR 43 HB THR 43 -10.195 2.362 6.302 318 HG1 THR 43 HG1 THR 43 -12.174 2.952 6.868 319 1HG2 THR 43 21HG THR 43 -11.550 0.640 5.193 320 2HG2 THR 43 22HG THR 43 -11.433 -0.325 6.686 321 3HG2 THR 43 23HG THR 43 -9.977 0.024 5.750 322 H GLU 44 H GLU 44 -11.331 1.541 9.973 323 HA GLU 44 HA GLU 44 -11.768 -1.295 10.584 324 1HB GLU 44 1HB GLU 44 -10.975 0.150 12.406 325 2HB GLU 44 2HB GLU 44 -12.319 1.248 12.134 326 1HG GLU 44 1HG GLU 44 -13.839 -0.430 12.704 327 2HG GLU 44 2HG GLU 44 -12.543 -1.596 12.981 328 H GLY 45 H GLY 45 -12.825 1.019 8.855 329 1HA GLY 45 1HA GLY 45 -15.639 1.275 9.230 330 2HA GLY 45 2HA GLY 45 -14.735 1.790 7.815 331 H GLY 46 H GLY 46 -13.745 -0.997 7.245 332 1HA GLY 46 1HA GLY 46 -15.352 -3.001 6.980 333 2HA GLY 46 2HA GLY 46 -16.238 -1.832 6.024 334 H ALA 47 H ALA 47 -14.976 -4.301 5.436 335 HA ALA 47 HA ALA 47 -14.352 -5.326 3.559 336 1HB ALA 47 1HB ALA 47 -13.981 -4.033 1.448 337 2HB ALA 47 2HB ALA 47 -14.228 -2.566 2.412 338 3HB ALA 47 3HB ALA 47 -15.516 -3.743 2.264 339 H ALA 48 H ALA 48 -12.134 -2.907 4.656 340 HA ALA 48 HA ALA 48 -9.909 -4.113 3.120 341 1HB ALA 48 1HB ALA 48 -8.435 -2.507 4.216 342 2HB ALA 48 2HB ALA 48 -9.778 -1.959 5.222 343 3HB ALA 48 3HB ALA 48 -9.817 -1.715 3.474 344 H GLN 49 H GLN 49 -10.484 -3.599 6.584 345 HA GLN 49 HA GLN 49 -8.567 -5.604 7.194 346 1HB GLN 49 1HB GLN 49 -10.512 -4.024 8.761 347 2HB GLN 49 2HB GLN 49 -9.637 -5.352 9.566 348 1HG GLN 49 1HG GLN 49 -7.536 -4.215 8.820 349 2HG GLN 49 2HG GLN 49 -8.559 -2.906 8.222 350 1HE2 GLN 49 21HE GLN 49 -10.387 -2.956 10.449 351 2HE2 GLN 49 22HE GLN 49 -9.571 -2.297 11.802 352 H ARG 50 H ARG 50 -11.801 -5.617 6.336 353 HA ARG 50 HA ARG 50 -12.268 -8.228 7.378 354 1HB ARG 50 1HB ARG 50 -13.898 -6.490 5.566 355 2HB ARG 50 2HB ARG 50 -14.361 -8.139 5.964 356 1HG ARG 50 1HG ARG 50 -13.882 -5.967 7.968 357 2HG ARG 50 2HG ARG 50 -15.491 -6.420 7.377 358 1HD ARG 50 1HD ARG 50 -15.266 -7.536 9.439 359 2HD ARG 50 2HD ARG 50 -14.889 -8.771 8.250 360 HE ARG 50 HE ARG 50 -12.784 -7.254 9.635 361 1HH1 ARG 50 11HH ARG 50 -14.085 -10.370 8.608 362 2HH1 ARG 50 12HH ARG 50 -12.913 -11.303 9.410 363 1HH2 ARG 50 21HH ARG 50 -11.124 -8.515 10.703 364 2HH2 ARG 50 22HH ARG 50 -11.152 -10.203 10.625 365 H ASP 51 H ASP 51 -10.822 -6.892 4.550 366 HA ASP 51 HA ASP 51 -11.110 -9.043 2.765 367 1HB ASP 51 1HB ASP 51 -10.154 -7.047 1.905 368 2HB ASP 51 2HB ASP 51 -8.898 -7.018 3.140 369 H GLY 52 H GLY 52 -8.301 -8.359 4.812 370 1HA GLY 52 1HA GLY 52 -7.416 -9.885 6.396 371 2HA GLY 52 2HA GLY 52 -8.319 -11.160 5.594 372 H ARG 53 H ARG 53 -6.968 -9.795 3.027 373 HA ARG 53 HA ARG 53 -4.724 -11.653 3.129 374 1HB ARG 53 1HB ARG 53 -6.422 -11.250 1.138 375 2HB ARG 53 2HB ARG 53 -5.418 -9.854 0.808 376 1HG ARG 53 1HG ARG 53 -4.521 -12.735 0.811 377 2HG ARG 53 2HG ARG 53 -4.835 -11.746 -0.604 378 1HD ARG 53 1HD ARG 53 -2.970 -10.299 -0.010 379 2HD ARG 53 2HD ARG 53 -2.695 -11.239 1.457 380 HE ARG 53 HE ARG 53 -2.616 -12.651 -1.077 381 1HH1 ARG 53 11HH ARG 53 -0.763 -11.275 1.641 382 2HH1 ARG 53 12HH ARG 53 0.655 -12.103 1.258 383 1HH2 ARG 53 21HH ARG 53 -0.643 -13.751 -1.600 384 2HH2 ARG 53 22HH ARG 53 0.744 -13.519 -0.640 385 H ILE 54 H ILE 54 -5.546 -8.292 2.617 386 HA ILE 54 HA ILE 54 -2.839 -7.346 2.696 387 HB ILE 54 HB ILE 54 -4.789 -6.135 1.556 388 1HG1 ILE 54 11HG ILE 54 -3.346 -4.467 3.634 389 2HG1 ILE 54 12HG ILE 54 -2.603 -5.023 2.142 390 1HG2 ILE 54 21HG ILE 54 -5.481 -5.518 4.421 391 2HG2 ILE 54 22HG ILE 54 -6.484 -6.412 3.276 392 3HG2 ILE 54 23HG ILE 54 -6.194 -4.680 3.037 393 1HD1 ILE 54 11HD ILE 54 -4.194 -3.739 0.849 394 2HD1 ILE 54 12HD ILE 54 -3.340 -2.705 1.984 395 3HD1 ILE 54 13HD ILE 54 -5.009 -3.213 2.323 396 H GLN 55 H GLN 55 -1.870 -6.167 4.503 397 HA GLN 55 HA GLN 55 -3.300 -6.524 7.004 398 1HB GLN 55 1HB GLN 55 -0.326 -6.995 6.748 399 2HB GLN 55 2HB GLN 55 -1.325 -7.273 8.158 400 1HG GLN 55 1HG GLN 55 -2.427 -9.121 6.994 401 2HG GLN 55 2HG GLN 55 -1.403 -8.828 5.588 402 1HE2 GLN 55 21HE GLN 55 0.861 -9.110 5.823 403 2HE2 GLN 55 22HE GLN 55 1.486 -10.230 6.976 404 H VAL 56 H VAL 56 -2.485 -5.064 8.671 405 HA VAL 56 HA VAL 56 -1.765 -2.467 7.719 406 HB VAL 56 HB VAL 56 -3.195 -2.960 9.756 407 1HG1 VAL 56 11HG VAL 56 -1.922 -4.737 10.759 408 2HG1 VAL 56 12HG VAL 56 -2.099 -3.408 11.903 409 3HG1 VAL 56 13HG VAL 56 -0.572 -3.646 11.052 410 1HG2 VAL 56 21HG VAL 56 -2.317 -1.117 11.137 411 2HG2 VAL 56 22HG VAL 56 -2.328 -0.710 9.427 412 3HG2 VAL 56 23HG VAL 56 -0.817 -1.161 10.217 413 H ASN 57 H ASN 57 -0.025 -5.206 8.482 414 HA ASN 57 HA ASN 57 2.295 -3.801 9.480 415 1HB ASN 57 1HB ASN 57 1.574 -5.842 10.606 416 2HB ASN 57 2HB ASN 57 1.770 -6.752 9.121 417 1HD2 ASN 57 21HD ASN 57 3.419 -5.097 11.700 418 2HD2 ASN 57 22HD ASN 57 4.954 -5.861 11.470 419 H ASP 58 H ASP 58 1.175 -4.482 6.438 420 HA ASP 58 HA ASP 58 3.793 -5.245 5.449 421 1HB ASP 58 1HB ASP 58 1.099 -5.390 4.114 422 2HB ASP 58 2HB ASP 58 2.614 -5.722 3.282 423 H GLN 59 H GLN 59 3.855 -4.400 2.909 424 HA GLN 59 HA GLN 59 4.147 -1.502 3.285 425 1HB GLN 59 1HB GLN 59 6.309 -2.531 3.339 426 2HB GLN 59 2HB GLN 59 5.926 -3.505 1.925 427 1HG GLN 59 1HG GLN 59 5.979 -1.604 0.508 428 2HG GLN 59 2HG GLN 59 6.116 -0.513 1.884 429 1HE2 GLN 59 21HE GLN 59 8.040 -0.282 2.880 430 2HE2 GLN 59 22HE GLN 59 9.535 -0.822 2.189 431 H ILE 60 H ILE 60 3.189 -0.220 1.826 432 HA ILE 60 HA ILE 60 1.643 -1.313 -0.342 433 HB ILE 60 HB ILE 60 2.360 1.589 0.199 434 1HG1 ILE 60 11HG ILE 60 1.066 0.674 2.101 435 2HG1 ILE 60 12HG ILE 60 0.119 1.820 1.147 436 1HG2 ILE 60 21HG ILE 60 0.587 2.158 -1.322 437 2HG2 ILE 60 22HG ILE 60 0.103 0.471 -1.394 438 3HG2 ILE 60 23HG ILE 60 1.628 0.950 -2.119 439 1HD1 ILE 60 11HD ILE 60 -1.237 -0.073 1.820 440 2HD1 ILE 60 12HD ILE 60 -0.101 -1.170 1.042 441 3HD1 ILE 60 13HD ILE 60 -1.037 -0.038 0.064 442 H VAL 61 H VAL 61 2.823 -2.067 -2.071 443 HA VAL 61 HA VAL 61 5.331 -0.750 -2.697 444 HB VAL 61 HB VAL 61 4.093 -3.294 -3.781 445 1HG1 VAL 61 11HG VAL 61 6.215 -3.784 -4.781 446 2HG1 VAL 61 12HG VAL 61 6.841 -2.193 -4.307 447 3HG1 VAL 61 13HG VAL 61 5.508 -2.324 -5.471 448 1HG2 VAL 61 21HG VAL 61 6.376 -2.865 -1.861 449 2HG2 VAL 61 22HG VAL 61 5.839 -4.422 -2.497 450 3HG2 VAL 61 23HG VAL 61 4.766 -3.474 -1.474 451 H GLU 62 H GLU 62 2.345 -1.589 -4.322 452 HA GLU 62 HA GLU 62 2.589 0.732 -6.018 453 1HB GLU 62 1HB GLU 62 3.856 -0.812 -7.344 454 2HB GLU 62 2HB GLU 62 2.654 -2.070 -7.193 455 1HG GLU 62 1HG GLU 62 1.082 -0.710 -8.487 456 2HG GLU 62 2HG GLU 62 2.302 0.553 -8.599 457 H VAL 63 H VAL 63 0.696 1.549 -5.423 458 HA VAL 63 HA VAL 63 -1.581 -0.210 -5.447 459 HB VAL 63 HB VAL 63 -1.158 2.488 -4.196 460 1HG1 VAL 63 11HG VAL 63 -3.156 2.773 -5.626 461 2HG1 VAL 63 12HG VAL 63 -3.564 2.757 -3.903 462 3HG1 VAL 63 13HG VAL 63 -3.870 1.329 -4.902 463 1HG2 VAL 63 21HG VAL 63 -0.926 0.323 -3.044 464 2HG2 VAL 63 22HG VAL 63 -2.636 0.023 -3.382 465 3HG2 VAL 63 23HG VAL 63 -2.166 1.384 -2.368 466 H ASP 64 H ASP 64 -2.776 -0.492 -6.921 467 HA ASP 64 HA ASP 64 -4.054 -0.401 -8.663 468 1HB ASP 64 1HB ASP 64 -4.916 1.681 -7.558 469 2HB ASP 64 2HB ASP 64 -3.884 2.611 -8.644 470 H GLY 65 H GLY 65 -1.033 0.136 -8.833 471 1HA GLY 65 1HA GLY 65 0.371 -0.278 -10.684 472 2HA GLY 65 2HA GLY 65 -0.963 0.190 -11.737 473 H ILE 66 H ILE 66 -0.570 2.408 -9.173 474 HA ILE 66 HA ILE 66 0.280 4.464 -10.969 475 HB ILE 66 HB ILE 66 -1.233 4.652 -8.789 476 1HG1 ILE 66 11HG ILE 66 0.916 6.703 -9.357 477 2HG1 ILE 66 12HG ILE 66 -0.538 6.495 -10.332 478 1HG2 ILE 66 21HG ILE 66 0.029 5.399 -6.823 479 2HG2 ILE 66 22HG ILE 66 1.537 4.988 -7.649 480 3HG2 ILE 66 23HG ILE 66 0.386 3.719 -7.241 481 1HD1 ILE 66 11HD ILE 66 -0.775 8.353 -8.809 482 2HD1 ILE 66 12HD ILE 66 -0.395 7.274 -7.457 483 3HD1 ILE 66 13HD ILE 66 -1.883 7.038 -8.378 484 H SER 67 H SER 67 1.886 2.189 -9.172 485 HA SER 67 HA SER 67 3.912 1.868 -8.308 486 1HB SER 67 1HB SER 67 5.814 2.437 -9.958 487 2HB SER 67 2HB SER 67 4.549 1.323 -10.470 488 HG SER 67 HG SER 67 4.038 3.977 -10.978 489 H LEU 68 H LEU 68 3.815 2.986 -6.500 490 HA LEU 68 HA LEU 68 4.800 5.708 -6.456 491 1HB LEU 68 1HB LEU 68 3.997 5.682 -4.148 492 2HB LEU 68 2HB LEU 68 2.750 5.223 -5.282 493 HG LEU 68 HG LEU 68 3.866 2.821 -4.511 494 1HD1 LEU 68 11HD LEU 68 3.586 4.586 -2.095 495 2HD1 LEU 68 12HD LEU 68 5.081 3.924 -2.736 496 3HD1 LEU 68 13HD LEU 68 3.849 2.837 -2.081 497 1HD2 LEU 68 21HD LEU 68 1.424 4.243 -3.492 498 2HD2 LEU 68 22HD LEU 68 1.738 2.498 -3.401 499 3HD2 LEU 68 23HD LEU 68 1.577 3.288 -4.971 500 H VAL 69 H VAL 69 6.188 3.049 -6.744 501 HA VAL 69 HA VAL 69 8.011 2.616 -4.695 502 HB VAL 69 HB VAL 69 8.537 2.318 -7.660 503 1HG1 VAL 69 11HG VAL 69 9.856 0.964 -5.311 504 2HG1 VAL 69 12HG VAL 69 10.564 2.224 -6.321 505 3HG1 VAL 69 13HG VAL 69 10.184 0.651 -7.017 506 1HG2 VAL 69 21HG VAL 69 7.839 -0.032 -7.357 507 2HG2 VAL 69 22HG VAL 69 6.530 1.103 -7.034 508 3HG2 VAL 69 23HG VAL 69 7.377 0.337 -5.694 509 H GLY 70 H GLY 70 8.943 4.365 -3.781 510 1HA GLY 70 1HA GLY 70 11.144 5.406 -3.810 511 2HA GLY 70 2HA GLY 70 10.805 5.901 -5.464 512 H VAL 71 H VAL 71 7.949 6.241 -3.942 513 HA VAL 71 HA VAL 71 8.329 9.108 -3.864 514 HB VAL 71 HB VAL 71 5.959 9.350 -3.698 515 1HG1 VAL 71 11HG VAL 71 6.770 8.803 -5.899 516 2HG1 VAL 71 12HG VAL 71 5.161 8.112 -5.630 517 3HG1 VAL 71 13HG VAL 71 6.585 7.080 -5.550 518 1HG2 VAL 71 21HG VAL 71 4.419 7.472 -3.345 519 2HG2 VAL 71 22HG VAL 71 5.528 7.631 -1.980 520 3HG2 VAL 71 23HG VAL 71 5.787 6.371 -3.173 521 H THR 72 H THR 72 6.918 10.227 -2.089 522 HA THR 72 HA THR 72 7.880 9.265 0.472 523 HB THR 72 HB THR 72 7.076 11.630 1.134 524 HG1 THR 72 HG1 THR 72 7.668 12.149 -1.578 525 1HG2 THR 72 21HG THR 72 9.259 12.587 0.440 526 2HG2 THR 72 22HG THR 72 9.491 11.236 -0.668 527 3HG2 THR 72 23HG THR 72 9.443 10.951 1.072 528 H GLN 73 H GLN 73 6.461 9.846 2.229 529 HA GLN 73 HA GLN 73 4.135 8.408 2.159 530 1HB GLN 73 1HB GLN 73 3.829 9.075 4.440 531 2HB GLN 73 2HB GLN 73 5.538 9.001 4.118 532 1HG GLN 73 1HG GLN 73 3.842 11.393 4.283 533 2HG GLN 73 2HG GLN 73 4.956 10.863 5.545 534 1HE2 GLN 73 21HE GLN 73 7.277 10.690 4.843 535 2HE2 GLN 73 22HE GLN 73 7.854 11.877 3.763 536 H ASN 74 H ASN 74 4.591 11.800 1.539 537 HA ASN 74 HA ASN 74 1.829 12.389 1.724 538 1HB ASN 74 1HB ASN 74 2.372 14.631 0.877 539 2HB ASN 74 2HB ASN 74 3.496 14.151 2.138 540 1HD2 ASN 74 21HD ASN 74 5.629 13.795 1.592 541 2HD2 ASN 74 22HD ASN 74 6.288 14.260 0.067 542 H PHE 75 H PHE 75 3.795 11.155 -0.808 543 HA PHE 75 HA PHE 75 1.884 11.762 -2.888 544 1HB PHE 75 1HB PHE 75 4.318 11.391 -3.396 545 2HB PHE 75 2HB PHE 75 4.121 9.727 -2.868 546 HD1 PHE 75 HD1 PHE 75 3.717 12.063 -5.583 547 HD2 PHE 75 HD2 PHE 75 2.661 8.157 -4.241 548 HE1 PHE 75 HE1 PHE 75 3.133 11.414 -7.885 549 HE2 PHE 75 HE2 PHE 75 2.080 7.517 -6.538 550 HZ PHE 75 HZ PHE 75 2.314 9.145 -8.361 551 H ALA 76 H ALA 76 3.003 8.992 -1.053 552 HA ALA 76 HA ALA 76 1.231 7.092 -2.020 553 1HB ALA 76 1HB ALA 76 2.449 7.193 0.730 554 2HB ALA 76 2HB ALA 76 3.218 6.563 -0.731 555 3HB ALA 76 3HB ALA 76 1.785 5.767 -0.080 556 H ALA 77 H ALA 77 0.848 9.159 0.889 557 HA ALA 77 HA ALA 77 -1.611 8.168 1.744 558 1HB ALA 77 1HB ALA 77 -1.901 10.301 2.911 559 2HB ALA 77 2HB ALA 77 -0.622 11.019 1.930 560 3HB ALA 77 3HB ALA 77 -0.241 9.729 3.067 561 H THR 78 H THR 78 -0.844 10.437 -0.775 562 HA THR 78 HA THR 78 -3.480 11.285 -1.317 563 HB THR 78 HB THR 78 -0.943 11.314 -2.955 564 HG1 THR 78 HG1 THR 78 -0.641 12.811 -1.501 565 1HG2 THR 78 21HG THR 78 -2.828 11.333 -4.505 566 2HG2 THR 78 22HG THR 78 -2.139 12.960 -4.434 567 3HG2 THR 78 23HG THR 78 -3.629 12.577 -3.563 568 H VAL 79 H VAL 79 -1.413 8.752 -2.761 569 HA VAL 79 HA VAL 79 -3.199 7.901 -4.754 570 HB VAL 79 HB VAL 79 -1.262 6.142 -3.227 571 1HG1 VAL 79 11HG VAL 79 -2.867 4.899 -4.623 572 2HG1 VAL 79 12HG VAL 79 -1.245 4.751 -5.251 573 3HG1 VAL 79 13HG VAL 79 -2.389 5.842 -6.028 574 1HG2 VAL 79 21HG VAL 79 -0.825 7.875 -5.639 575 2HG2 VAL 79 22HG VAL 79 0.325 6.673 -5.046 576 3HG2 VAL 79 23HG VAL 79 -0.093 8.067 -4.050 577 H LEU 80 H LEU 80 -2.707 6.688 -1.476 578 HA LEU 80 HA LEU 80 -4.797 4.781 -1.594 579 1HB LEU 80 1HB LEU 80 -3.302 5.993 0.728 580 2HB LEU 80 2HB LEU 80 -4.584 4.838 0.971 581 HG LEU 80 HG LEU 80 -2.541 3.656 1.187 582 1HD1 LEU 80 11HD LEU 80 -2.640 1.973 -0.469 583 2HD1 LEU 80 12HD LEU 80 -3.500 3.051 -1.569 584 3HD1 LEU 80 13HD LEU 80 -4.276 2.516 -0.077 585 1HD2 LEU 80 21HD LEU 80 -1.668 4.727 -1.488 586 2HD2 LEU 80 22HD LEU 80 -0.792 3.558 -0.497 587 3HD2 LEU 80 23HD LEU 80 -1.023 5.207 0.080 588 H ARG 81 H ARG 81 -4.933 8.120 -1.332 589 HA ARG 81 HA ARG 81 -7.579 8.096 -0.105 590 1HB ARG 81 1HB ARG 81 -6.146 9.775 0.825 591 2HB ARG 81 2HB ARG 81 -5.631 10.314 -0.752 592 1HG ARG 81 1HG ARG 81 -8.498 10.647 -0.030 593 2HG ARG 81 2HG ARG 81 -7.318 11.708 0.741 594 1HD ARG 81 1HD ARG 81 -6.490 12.383 -1.466 595 2HD ARG 81 2HD ARG 81 -7.651 11.312 -2.235 596 HE ARG 81 HE ARG 81 -9.381 12.754 -1.117 597 1HH1 ARG 81 11HH ARG 81 -6.170 14.107 -1.925 598 2HH1 ARG 81 12HH ARG 81 -6.783 15.646 -2.275 599 1HH2 ARG 81 21HH ARG 81 -10.178 14.922 -1.643 600 2HH2 ARG 81 22HH ARG 81 -9.061 16.127 -2.103 601 H ASN 82 H ASN 82 -6.054 8.292 -3.149 602 HA ASN 82 HA ASN 82 -8.323 9.435 -4.552 603 1HB ASN 82 1HB ASN 82 -5.654 8.381 -5.446 604 2HB ASN 82 2HB ASN 82 -6.924 8.669 -6.616 605 1HD2 ASN 82 21HD ASN 82 -6.277 10.680 -3.784 606 2HD2 ASN 82 22HD ASN 82 -5.800 12.070 -4.702 607 H THR 83 H THR 83 -7.175 6.334 -3.666 608 HA THR 83 HA THR 83 -8.309 4.786 -5.662 609 HB THR 83 HB THR 83 -8.146 3.009 -3.816 610 HG1 THR 83 HG1 THR 83 -8.131 4.830 -2.208 611 1HG2 THR 83 21HG THR 83 -5.706 2.963 -4.039 612 2HG2 THR 83 22HG THR 83 -5.720 4.622 -4.610 613 3HG2 THR 83 23HG THR 83 -6.461 3.346 -5.587 614 H LYS 84 H LYS 84 -10.007 3.288 -5.476 615 HA LYS 84 HA LYS 84 -12.383 4.230 -4.027 616 1HB LYS 84 1HB LYS 84 -13.752 3.797 -5.982 617 2HB LYS 84 2HB LYS 84 -12.507 4.953 -6.413 618 1HG LYS 84 1HG LYS 84 -12.758 2.067 -7.128 619 2HG LYS 84 2HG LYS 84 -12.928 3.440 -8.234 620 1HD LYS 84 1HD LYS 84 -10.444 3.879 -7.462 621 2HD LYS 84 2HD LYS 84 -10.611 2.190 -6.964 622 1HE LYS 84 1HE LYS 84 -11.061 3.151 -9.803 623 2HE LYS 84 2HE LYS 84 -9.540 2.480 -9.240 624 1HZ LYS 84 1HZ LYS 84 -10.702 0.404 -8.737 625 2HZ LYS 84 2HZ LYS 84 -10.841 0.828 -10.353 626 3HZ LYS 84 3HZ LYS 84 -12.147 1.060 -9.342 627 H GLY 85 H GLY 85 -13.746 2.072 -5.439 628 1HA GLY 85 1HA GLY 85 -13.626 0.185 -3.329 629 2HA GLY 85 2HA GLY 85 -14.568 -0.002 -4.788 630 H ASN 86 H ASN 86 -13.121 -0.453 -6.781 631 HA ASN 86 HA ASN 86 -11.592 -2.809 -6.057 632 1HB ASN 86 1HB ASN 86 -12.276 -1.619 -8.734 633 2HB ASN 86 2HB ASN 86 -11.039 -2.849 -8.596 634 1HD2 ASN 86 21HD ASN 86 -13.961 -2.807 -6.635 635 2HD2 ASN 86 22HD ASN 86 -14.667 -4.188 -7.386 636 H VAL 87 H VAL 87 -9.677 -2.637 -5.313 637 HA VAL 87 HA VAL 87 -7.853 -0.621 -6.486 638 HB VAL 87 HB VAL 87 -7.424 -1.707 -3.776 639 1HG1 VAL 87 11HG VAL 87 -5.683 -0.435 -4.737 640 2HG1 VAL 87 12HG VAL 87 -6.365 0.449 -3.370 641 3HG1 VAL 87 13HG VAL 87 -6.762 0.933 -5.024 642 1HG2 VAL 87 21HG VAL 87 -9.309 0.582 -4.292 643 2HG2 VAL 87 22HG VAL 87 -8.697 0.054 -2.709 644 3HG2 VAL 87 23HG VAL 87 -9.695 -1.029 -3.681 645 H ARG 88 H ARG 88 -5.840 -1.363 -6.934 646 HA ARG 88 HA ARG 88 -5.306 -4.177 -6.340 647 1HB ARG 88 1HB ARG 88 -4.531 -2.436 -8.586 648 2HB ARG 88 2HB ARG 88 -3.443 -3.757 -8.124 649 1HG ARG 88 1HG ARG 88 -4.750 -4.623 -9.771 650 2HG ARG 88 2HG ARG 88 -5.479 -5.193 -8.304 651 1HD ARG 88 1HD ARG 88 -7.234 -4.397 -9.885 652 2HD ARG 88 2HD ARG 88 -7.191 -3.568 -8.325 653 HE ARG 88 HE ARG 88 -6.199 -1.652 -9.428 654 1HH1 ARG 88 11HH ARG 88 -7.438 -4.056 -11.695 655 2HH1 ARG 88 12HH ARG 88 -7.891 -2.901 -12.857 656 1HH2 ARG 88 21HH ARG 88 -6.821 -0.119 -10.934 657 2HH2 ARG 88 22HH ARG 88 -7.538 -0.587 -12.431 658 H PHE 89 H PHE 89 -4.433 -4.102 -4.468 659 HA PHE 89 HA PHE 89 -2.304 -2.178 -3.936 660 1HB PHE 89 1HB PHE 89 -3.359 -4.369 -2.123 661 2HB PHE 89 2HB PHE 89 -2.199 -3.117 -1.721 662 HD1 PHE 89 HD1 PHE 89 -2.895 -0.901 -1.211 663 HD2 PHE 89 HD2 PHE 89 -5.725 -3.844 -2.361 664 HE1 PHE 89 HE1 PHE 89 -4.703 0.543 -0.420 665 HE2 PHE 89 HE2 PHE 89 -7.550 -2.394 -1.578 666 HZ PHE 89 HZ PHE 89 -7.041 -0.192 -0.605 667 H VAL 90 H VAL 90 -0.583 -2.827 -5.117 668 HA VAL 90 HA VAL 90 0.064 -5.628 -5.044 669 HB VAL 90 HB VAL 90 1.484 -3.355 -6.455 670 1HG1 VAL 90 11HG VAL 90 1.885 -6.348 -6.705 671 2HG1 VAL 90 12HG VAL 90 3.007 -5.212 -5.959 672 3HG1 VAL 90 13HG VAL 90 2.689 -5.126 -7.692 673 1HG2 VAL 90 21HG VAL 90 0.540 -4.281 -8.518 674 2HG2 VAL 90 22HG VAL 90 -0.719 -3.744 -7.403 675 3HG2 VAL 90 23HG VAL 90 -0.364 -5.464 -7.572 676 H ILE 91 H ILE 91 0.557 -5.837 -3.027 677 HA ILE 91 HA ILE 91 2.733 -4.325 -1.839 678 HB ILE 91 HB ILE 91 0.465 -6.021 -0.816 679 1HG1 ILE 91 11HG ILE 91 1.201 -3.161 -0.331 680 2HG1 ILE 91 12HG ILE 91 -0.020 -3.701 -1.476 681 1HG2 ILE 91 21HG ILE 91 2.682 -4.885 0.888 682 2HG2 ILE 91 22HG ILE 91 2.373 -6.594 0.590 683 3HG2 ILE 91 23HG ILE 91 1.199 -5.631 1.485 684 1HD1 ILE 91 11HD ILE 91 -0.042 -4.029 1.466 685 2HD1 ILE 91 12HD ILE 91 -1.235 -4.656 0.284 686 3HD1 ILE 91 13HD ILE 91 -0.986 -2.897 0.463 687 H GLY 92 H GLY 92 4.318 -5.628 -0.743 688 1HA GLY 92 1HA GLY 92 4.382 -8.355 -1.705 689 2HA GLY 92 2HA GLY 92 5.800 -7.351 -1.938 690 H ARG 93 H ARG 93 5.991 -9.603 -0.512 691 HA ARG 93 HA ARG 93 6.714 -8.508 2.075 692 1HB ARG 93 1HB ARG 93 4.302 -9.737 1.852 693 2HB ARG 93 2HB ARG 93 5.321 -11.143 2.095 694 1HG ARG 93 1HG ARG 93 5.162 -8.769 3.937 695 2HG ARG 93 2HG ARG 93 4.301 -10.288 4.167 696 1HD ARG 93 1HD ARG 93 6.385 -11.459 4.439 697 2HD ARG 93 2HD ARG 93 7.301 -10.006 4.045 698 HE ARG 93 HE ARG 93 5.494 -9.680 6.234 699 1HH1 ARG 93 11HH ARG 93 8.836 -10.700 5.376 700 2HH1 ARG 93 12HH ARG 93 9.419 -10.422 6.924 701 1HH2 ARG 93 21HH ARG 93 6.377 -9.282 8.355 702 2HH2 ARG 93 22HH ARG 93 8.005 -9.646 8.683 703 H GLU 94 H GLU 94 8.738 -9.321 2.512 704 HA GLU 94 HA GLU 94 9.481 -11.602 0.990 705 1HB GLU 94 1HB GLU 94 11.879 -10.967 1.627 706 2HB GLU 94 2HB GLU 94 10.974 -9.923 0.551 707 1HG GLU 94 1HG GLU 94 12.277 -8.528 1.938 708 2HG GLU 94 2HG GLU 94 10.606 -8.353 2.429 Start of MODEL 11 1 1H GLY 1 1H GLY 1 12.494 -15.681 1.828 2 2H GLY 1 2H GLY 1 11.542 -15.858 0.438 3 3H GLY 1 3H GLY 1 11.583 -14.375 1.238 4 1HA GLY 1 1HA GLY 1 13.902 -14.103 0.663 5 2HA GLY 1 2HA GLY 1 13.848 -15.658 -0.169 6 H HIS 2 H HIS 2 14.092 -12.621 -0.869 7 HA HIS 2 HA HIS 2 13.635 -11.245 -2.567 8 1HB HIS 2 1HB HIS 2 13.968 -13.177 -4.080 9 2HB HIS 2 2HB HIS 2 12.299 -13.670 -3.848 10 HD1 HIS 2 HD1 HIS 2 14.433 -11.399 -5.905 11 HD2 HIS 2 HD2 HIS 2 10.391 -12.041 -5.180 12 HE1 HIS 2 HE1 HIS 2 13.196 -10.152 -7.690 13 H MET 3 H MET 3 12.067 -9.684 -2.996 14 HA MET 3 HA MET 3 9.703 -10.116 -1.415 15 1HB MET 3 1HB MET 3 10.997 -7.966 -1.270 16 2HB MET 3 2HB MET 3 10.484 -7.619 -2.918 17 1HG MET 3 1HG MET 3 8.206 -7.534 -2.274 18 2HG MET 3 2HG MET 3 8.577 -8.092 -0.640 19 1HE MET 3 1HE MET 3 7.388 -6.115 0.602 20 2HE MET 3 2HE MET 3 6.786 -5.575 -0.967 21 3HE MET 3 3HE MET 3 7.545 -4.420 0.131 22 H GLU 4 H GLU 4 8.270 -11.210 -2.293 23 HA GLU 4 HA GLU 4 7.729 -11.314 -5.133 24 1HB GLU 4 1HB GLU 4 7.578 -13.347 -3.801 25 2HB GLU 4 2HB GLU 4 6.416 -12.585 -2.729 26 1HG GLU 4 1HG GLU 4 4.837 -12.441 -4.648 27 2HG GLU 4 2HG GLU 4 5.997 -13.349 -5.610 28 H LEU 5 H LEU 5 6.813 -9.492 -5.878 29 HA LEU 5 HA LEU 5 4.827 -8.134 -4.324 30 1HB LEU 5 1HB LEU 5 5.649 -7.656 -7.194 31 2HB LEU 5 2HB LEU 5 4.634 -6.612 -6.231 32 HG LEU 5 HG LEU 5 6.635 -5.504 -6.201 33 1HD1 LEU 5 11HD LEU 5 5.816 -5.768 -3.980 34 2HD1 LEU 5 12HD LEU 5 7.578 -5.615 -4.020 35 3HD1 LEU 5 13HD LEU 5 6.831 -7.199 -3.778 36 1HD2 LEU 5 21HD LEU 5 8.112 -8.094 -5.809 37 2HD2 LEU 5 22HD LEU 5 8.844 -6.496 -5.949 38 3HD2 LEU 5 23HD LEU 5 7.987 -7.201 -7.324 39 H PHE 6 H PHE 6 2.711 -8.376 -4.472 40 HA PHE 6 HA PHE 6 1.666 -9.820 -6.728 41 1HB PHE 6 1HB PHE 6 0.155 -11.024 -5.055 42 2HB PHE 6 2HB PHE 6 1.784 -11.648 -5.273 43 HD1 PHE 6 HD1 PHE 6 -0.481 -9.715 -3.152 44 HD2 PHE 6 HD2 PHE 6 3.237 -11.711 -3.388 45 HE1 PHE 6 HE1 PHE 6 -0.256 -9.560 -0.684 46 HE2 PHE 6 HE2 PHE 6 3.493 -11.576 -0.959 47 HZ PHE 6 HZ PHE 6 1.743 -10.498 0.410 48 HA PRO 7 HA PRO 7 -1.389 -6.691 -6.444 49 1HB PRO 7 1HB PRO 7 -3.205 -7.697 -8.054 50 2HB PRO 7 2HB PRO 7 -1.686 -7.061 -8.670 51 1HG PRO 7 1HG PRO 7 -2.466 -9.933 -8.202 52 2HG PRO 7 2HG PRO 7 -1.550 -9.246 -9.567 53 1HD PRO 7 1HD PRO 7 -0.448 -10.530 -7.396 54 2HD PRO 7 2HD PRO 7 0.409 -9.306 -8.366 55 H VAL 8 H VAL 8 -2.736 -6.384 -4.856 56 HA VAL 8 HA VAL 8 -4.641 -8.497 -4.201 57 HB VAL 8 HB VAL 8 -3.855 -6.192 -2.421 58 1HG1 VAL 8 11HG VAL 8 -5.297 -8.746 -1.796 59 2HG1 VAL 8 12HG VAL 8 -5.973 -7.117 -1.884 60 3HG1 VAL 8 13HG VAL 8 -4.814 -7.523 -0.614 61 1HG2 VAL 8 21HG VAL 8 -2.454 -7.764 -1.121 62 2HG2 VAL 8 22HG VAL 8 -1.860 -7.459 -2.754 63 3HG2 VAL 8 23HG VAL 8 -2.690 -8.970 -2.397 64 H GLU 9 H GLU 9 -6.265 -7.818 -5.649 65 HA GLU 9 HA GLU 9 -7.016 -5.054 -5.648 66 1HB GLU 9 1HB GLU 9 -7.344 -6.470 -7.686 67 2HB GLU 9 2HB GLU 9 -8.493 -7.437 -6.769 68 1HG GLU 9 1HG GLU 9 -9.944 -5.492 -6.506 69 2HG GLU 9 2HG GLU 9 -8.804 -4.517 -7.431 70 H LEU 10 H LEU 10 -7.956 -4.245 -3.998 71 HA LEU 10 HA LEU 10 -9.587 -5.992 -2.325 72 1HB LEU 10 1HB LEU 10 -7.762 -4.075 -1.708 73 2HB LEU 10 2HB LEU 10 -9.280 -3.164 -1.669 74 HG LEU 10 HG LEU 10 -8.775 -3.823 0.549 75 1HD1 LEU 10 11HD LEU 10 -10.880 -5.643 -0.565 76 2HD1 LEU 10 12HD LEU 10 -11.112 -4.008 0.039 77 3HD1 LEU 10 13HD LEU 10 -10.649 -5.303 1.142 78 1HD2 LEU 10 21HD LEU 10 -8.369 -6.142 1.196 79 2HD2 LEU 10 22HD LEU 10 -7.154 -5.549 0.063 80 3HD2 LEU 10 23HD LEU 10 -8.435 -6.625 -0.498 81 H GLU 11 H GLU 11 -11.679 -5.903 -2.678 82 HA GLU 11 HA GLU 11 -12.650 -3.733 -4.330 83 1HB GLU 11 1HB GLU 11 -13.147 -6.059 -5.036 84 2HB GLU 11 2HB GLU 11 -14.065 -6.288 -3.558 85 1HG GLU 11 1HG GLU 11 -15.737 -4.776 -4.247 86 2HG GLU 11 2HG GLU 11 -14.733 -4.157 -5.559 87 H LYS 12 H LYS 12 -12.732 -2.121 -3.003 88 HA LYS 12 HA LYS 12 -14.214 -2.328 -0.542 89 1HB LYS 12 1HB LYS 12 -12.271 -0.279 -1.599 90 2HB LYS 12 2HB LYS 12 -13.362 0.146 -0.289 91 1HG LYS 12 1HG LYS 12 -11.354 -2.085 -0.304 92 2HG LYS 12 2HG LYS 12 -11.168 -0.519 0.486 93 1HD LYS 12 1HD LYS 12 -13.637 -1.766 1.234 94 2HD LYS 12 2HD LYS 12 -12.269 -2.837 1.624 95 1HE LYS 12 1HE LYS 12 -12.722 -1.563 3.539 96 2HE LYS 12 2HE LYS 12 -11.314 -0.849 2.854 97 1HZ LYS 12 1HZ LYS 12 -14.070 0.280 2.427 98 2HZ LYS 12 2HZ LYS 12 -12.682 0.980 1.871 99 3HZ LYS 12 3HZ LYS 12 -12.970 0.871 3.518 100 H ASP 13 H ASP 13 -15.140 0.005 -0.154 101 HA ASP 13 HA ASP 13 -17.554 0.151 -1.695 102 1HB ASP 13 1HB ASP 13 -18.077 1.727 0.209 103 2HB ASP 13 2HB ASP 13 -17.714 0.057 0.664 104 H GLU 14 H GLU 14 -18.366 2.591 -1.473 105 HA GLU 14 HA GLU 14 -16.928 4.130 -3.415 106 1HB GLU 14 1HB GLU 14 -18.810 5.707 -3.234 107 2HB GLU 14 2HB GLU 14 -19.364 4.057 -3.480 108 1HG GLU 14 1HG GLU 14 -19.879 3.878 -1.091 109 2HG GLU 14 2HG GLU 14 -19.307 5.525 -0.844 110 H ASP 15 H ASP 15 -16.992 4.040 -0.007 111 HA ASP 15 HA ASP 15 -16.279 6.779 0.464 112 1HB ASP 15 1HB ASP 15 -17.433 5.486 2.190 113 2HB ASP 15 2HB ASP 15 -16.148 4.304 2.206 114 H GLY 16 H GLY 16 -14.681 3.697 0.139 115 1HA GLY 16 1HA GLY 16 -12.659 3.871 -1.315 116 2HA GLY 16 2HA GLY 16 -12.170 5.210 -0.286 117 H LEU 17 H LEU 17 -10.581 4.634 0.953 118 HA LEU 17 HA LEU 17 -10.610 1.903 2.093 119 1HB LEU 17 1HB LEU 17 -8.231 3.742 2.021 120 2HB LEU 17 2HB LEU 17 -8.281 2.026 2.354 121 HG LEU 17 HG LEU 17 -8.726 3.348 -0.238 122 1HD1 LEU 17 11HD LEU 17 -6.443 1.698 0.818 123 2HD1 LEU 17 12HD LEU 17 -6.426 3.418 0.425 124 3HD1 LEU 17 13HD LEU 17 -6.600 2.221 -0.857 125 1HD2 LEU 17 21HD LEU 17 -8.739 0.415 0.482 126 2HD2 LEU 17 22HD LEU 17 -8.667 1.018 -1.167 127 3HD2 LEU 17 23HD LEU 17 -10.081 1.359 -0.167 128 H GLY 18 H GLY 18 -9.690 5.242 2.680 129 1HA GLY 18 1HA GLY 18 -9.651 6.499 4.560 130 2HA GLY 18 2HA GLY 18 -10.687 5.298 5.328 131 H ILE 19 H ILE 19 -7.634 4.455 3.872 132 HA ILE 19 HA ILE 19 -6.778 3.713 6.568 133 HB ILE 19 HB ILE 19 -5.140 2.233 5.633 134 1HG1 ILE 19 11HG ILE 19 -5.935 3.225 2.894 135 2HG1 ILE 19 12HG ILE 19 -4.464 3.705 3.740 136 1HG2 ILE 19 21HG ILE 19 -7.397 1.373 5.730 137 2HG2 ILE 19 22HG ILE 19 -6.597 0.725 4.294 138 3HG2 ILE 19 23HG ILE 19 -7.748 2.061 4.161 139 1HD1 ILE 19 11HD ILE 19 -3.969 1.973 2.112 140 2HD1 ILE 19 12HD ILE 19 -5.165 0.910 2.853 141 3HD1 ILE 19 13HD ILE 19 -3.715 1.369 3.748 142 H SER 20 H SER 20 -4.238 3.739 6.754 143 HA SER 20 HA SER 20 -3.306 6.391 5.953 144 1HB SER 20 1HB SER 20 -3.186 5.178 8.720 145 2HB SER 20 2HB SER 20 -2.451 6.705 8.250 146 HG SER 20 HG SER 20 -4.984 6.771 7.504 147 H ILE 21 H ILE 21 -1.078 6.573 5.834 148 HA ILE 21 HA ILE 21 0.392 4.015 5.714 149 HB ILE 21 HB ILE 21 1.697 4.972 3.881 150 1HG1 ILE 21 11HG ILE 21 0.336 7.037 2.750 151 2HG1 ILE 21 12HG ILE 21 0.051 7.374 4.433 152 1HG2 ILE 21 21HG ILE 21 0.010 4.850 2.112 153 2HG2 ILE 21 22HG ILE 21 -1.257 4.961 3.334 154 3HG2 ILE 21 23HG ILE 21 -0.169 3.572 3.313 155 1HD1 ILE 21 11HD ILE 21 2.475 7.472 4.863 156 2HD1 ILE 21 12HD ILE 21 2.020 8.630 3.633 157 3HD1 ILE 21 13HD ILE 21 2.802 7.142 3.172 158 H ILE 22 H ILE 22 2.680 4.238 6.137 159 HA ILE 22 HA ILE 22 3.232 6.706 7.496 160 HB ILE 22 HB ILE 22 2.952 5.035 9.207 161 1HG1 ILE 22 11HG ILE 22 5.882 5.735 8.917 162 2HG1 ILE 22 12HG ILE 22 4.641 6.788 9.580 163 1HG2 ILE 22 21HG ILE 22 3.417 3.035 7.993 164 2HG2 ILE 22 22HG ILE 22 4.460 3.102 9.419 165 3HG2 ILE 22 23HG ILE 22 5.116 3.488 7.824 166 1HD1 ILE 22 11HD ILE 22 5.550 4.169 10.745 167 2HD1 ILE 22 12HD ILE 22 4.291 5.206 11.410 168 3HD1 ILE 22 13HD ILE 22 5.958 5.778 11.341 169 H GLY 23 H GLY 23 5.080 7.705 7.049 170 1HA GLY 23 1HA GLY 23 6.494 6.644 4.766 171 2HA GLY 23 2HA GLY 23 6.577 8.297 5.359 172 H MET 24 H MET 24 7.816 5.107 5.553 173 HA MET 24 HA MET 24 9.976 5.998 7.395 174 1HB MET 24 1HB MET 24 9.135 3.174 6.679 175 2HB MET 24 2HB MET 24 10.362 3.632 7.844 176 1HG MET 24 1HG MET 24 7.397 4.109 8.092 177 2HG MET 24 2HG MET 24 8.334 2.892 8.949 178 1HE MET 24 1HE MET 24 10.548 5.092 11.324 179 2HE MET 24 2HE MET 24 10.991 4.518 9.719 180 3HE MET 24 3HE MET 24 10.123 3.453 10.827 181 H GLY 25 H GLY 25 11.945 4.558 6.835 182 1HA GLY 25 1HA GLY 25 12.257 4.695 3.911 183 2HA GLY 25 2HA GLY 25 13.441 5.438 4.979 184 H VAL 26 H VAL 26 12.187 2.450 3.741 185 HA VAL 26 HA VAL 26 14.445 1.168 5.006 186 HB VAL 26 HB VAL 26 12.335 -0.046 5.349 187 1HG1 VAL 26 11HG VAL 26 11.161 -1.215 3.577 188 2HG1 VAL 26 12HG VAL 26 12.228 -0.476 2.385 189 3HG1 VAL 26 13HG VAL 26 11.144 0.535 3.336 190 1HG2 VAL 26 21HG VAL 26 14.277 -1.569 3.622 191 2HG2 VAL 26 22HG VAL 26 13.049 -2.301 4.653 192 3HG2 VAL 26 23HG VAL 26 14.355 -1.360 5.374 193 H GLY 27 H GLY 27 15.885 2.267 3.816 194 1HA GLY 27 1HA GLY 27 16.698 0.901 1.465 195 2HA GLY 27 2HA GLY 27 16.188 2.573 1.190 196 H ALA 28 H ALA 28 18.417 2.790 0.530 197 HA ALA 28 HA ALA 28 20.485 3.544 0.737 198 1HB ALA 28 1HB ALA 28 19.387 5.305 1.977 199 2HB ALA 28 2HB ALA 28 21.012 5.002 2.637 200 3HB ALA 28 3HB ALA 28 19.564 4.371 3.456 201 H ASP 29 H ASP 29 20.289 2.681 4.118 202 HA ASP 29 HA ASP 29 22.610 0.968 3.681 203 1HB ASP 29 1HB ASP 29 22.706 2.624 5.539 204 2HB ASP 29 2HB ASP 29 21.344 1.816 6.299 205 H ALA 30 H ALA 30 19.328 0.774 3.945 206 HA ALA 30 HA ALA 30 19.293 -1.977 4.774 207 1HB ALA 30 1HB ALA 30 17.068 0.001 4.179 208 2HB ALA 30 2HB ALA 30 17.563 -0.554 5.779 209 3HB ALA 30 3HB ALA 30 16.820 -1.684 4.645 210 H GLY 31 H GLY 31 20.018 -2.897 3.285 211 1HA GLY 31 1HA GLY 31 20.567 -2.620 0.597 212 2HA GLY 31 2HA GLY 31 20.275 -4.164 1.361 213 H LEU 32 H LEU 32 17.552 -2.216 1.145 214 HA LEU 32 HA LEU 32 16.601 -3.869 -1.068 215 1HB LEU 32 1HB LEU 32 15.008 -2.251 0.897 216 2HB LEU 32 2HB LEU 32 14.363 -3.381 -0.274 217 HG LEU 32 HG LEU 32 15.829 -3.914 2.287 218 1HD1 LEU 32 11HD LEU 32 13.932 -5.345 2.789 219 2HD1 LEU 32 12HD LEU 32 13.204 -4.901 1.247 220 3HD1 LEU 32 13HD LEU 32 13.468 -3.671 2.486 221 1HD2 LEU 32 21HD LEU 32 16.949 -5.354 0.743 222 2HD2 LEU 32 22HD LEU 32 15.421 -5.919 0.054 223 3HD2 LEU 32 23HD LEU 32 15.858 -6.347 1.712 224 H GLU 33 H GLU 33 16.963 -0.608 0.230 225 HA GLU 33 HA GLU 33 16.607 1.393 -0.524 226 1HB GLU 33 1HB GLU 33 17.842 0.186 -2.974 227 2HB GLU 33 2HB GLU 33 17.655 1.917 -2.718 228 1HG GLU 33 1HG GLU 33 18.986 1.664 -0.621 229 2HG GLU 33 2HG GLU 33 19.286 -0.004 -1.092 230 H LYS 34 H LYS 34 14.327 1.225 -0.307 231 HA LYS 34 HA LYS 34 13.075 1.983 -2.725 232 1HB LYS 34 1HB LYS 34 11.315 0.294 -2.561 233 2HB LYS 34 2HB LYS 34 12.892 -0.438 -2.824 234 1HG LYS 34 1HG LYS 34 12.953 -0.857 -0.308 235 2HG LYS 34 2HG LYS 34 11.241 -0.429 -0.308 236 1HD LYS 34 1HD LYS 34 12.530 -2.673 -1.880 237 2HD LYS 34 2HD LYS 34 11.515 -2.846 -0.453 238 1HE LYS 34 1HE LYS 34 9.600 -2.006 -1.660 239 2HE LYS 34 2HE LYS 34 10.598 -1.630 -3.061 240 1HZ LYS 34 1HZ LYS 34 10.083 -4.356 -1.993 241 2HZ LYS 34 2HZ LYS 34 11.072 -3.994 -3.294 242 3HZ LYS 34 3HZ LYS 34 9.425 -3.697 -3.404 243 H LEU 35 H LEU 35 10.587 1.997 -1.901 244 HA LEU 35 HA LEU 35 10.397 4.180 -0.155 245 1HB LEU 35 1HB LEU 35 8.008 3.806 -0.349 246 2HB LEU 35 2HB LEU 35 8.786 3.677 -1.912 247 HG LEU 35 HG LEU 35 8.790 1.086 -1.094 248 1HD1 LEU 35 11HD LEU 35 7.520 1.362 0.841 249 2HD1 LEU 35 12HD LEU 35 6.504 0.557 -0.350 250 3HD1 LEU 35 13HD LEU 35 6.275 2.266 -0.016 251 1HD2 LEU 35 21HD LEU 35 8.254 1.769 -3.199 252 2HD2 LEU 35 22HD LEU 35 6.718 2.523 -2.701 253 3HD2 LEU 35 23HD LEU 35 6.919 0.756 -2.641 254 H GLY 36 H GLY 36 9.575 4.241 1.953 255 1HA GLY 36 1HA GLY 36 9.545 1.664 3.360 256 2HA GLY 36 2HA GLY 36 10.061 3.190 4.098 257 H ILE 37 H ILE 37 7.424 2.877 1.908 258 HA ILE 37 HA ILE 37 5.713 4.004 3.890 259 HB ILE 37 HB ILE 37 4.903 3.072 1.130 260 1HG1 ILE 37 11HG ILE 37 6.741 4.770 1.142 261 2HG1 ILE 37 12HG ILE 37 5.265 5.352 0.334 262 1HG2 ILE 37 21HG ILE 37 3.618 4.958 3.088 263 2HG2 ILE 37 22HG ILE 37 3.062 3.341 2.690 264 3HG2 ILE 37 23HG ILE 37 3.016 4.615 1.463 265 1HD1 ILE 37 11HD ILE 37 4.795 6.532 2.519 266 2HD1 ILE 37 12HD ILE 37 6.192 7.100 1.615 267 3HD1 ILE 37 13HD ILE 37 6.423 6.034 3.007 268 H PHE 38 H PHE 38 5.130 2.740 5.368 269 HA PHE 38 HA PHE 38 4.139 0.065 4.714 270 1HB PHE 38 1HB PHE 38 4.879 1.350 7.324 271 2HB PHE 38 2HB PHE 38 4.207 -0.280 7.180 272 HD1 PHE 38 HD1 PHE 38 7.199 1.741 6.936 273 HD2 PHE 38 HD2 PHE 38 5.518 -2.054 6.023 274 HE1 PHE 38 HE1 PHE 38 9.460 0.830 6.592 275 HE2 PHE 38 HE2 PHE 38 7.779 -2.974 5.679 276 HZ PHE 38 HZ PHE 38 9.750 -1.531 5.960 277 H VAL 39 H VAL 39 2.148 -0.563 5.700 278 HA VAL 39 HA VAL 39 0.216 1.523 5.591 279 HB VAL 39 HB VAL 39 -0.130 -1.324 6.603 280 1HG1 VAL 39 11HG VAL 39 -2.489 -1.002 6.018 281 2HG1 VAL 39 12HG VAL 39 -2.147 0.665 5.557 282 3HG1 VAL 39 13HG VAL 39 -1.960 0.159 7.236 283 1HG2 VAL 39 21HG VAL 39 -0.870 -1.872 4.315 284 2HG2 VAL 39 22HG VAL 39 0.799 -1.287 4.324 285 3HG2 VAL 39 23HG VAL 39 -0.490 -0.225 3.810 286 H LYS 40 H LYS 40 -0.379 2.748 7.214 287 HA LYS 40 HA LYS 40 0.922 2.330 9.776 288 1HB LYS 40 1HB LYS 40 1.120 4.541 8.835 289 2HB LYS 40 2HB LYS 40 -0.614 4.658 8.638 290 1HG LYS 40 1HG LYS 40 0.215 5.992 10.498 291 2HG LYS 40 2HG LYS 40 -0.928 4.748 11.006 292 1HD LYS 40 1HD LYS 40 0.967 3.328 11.690 293 2HD LYS 40 2HD LYS 40 2.077 4.633 11.249 294 1HE LYS 40 1HE LYS 40 1.029 6.088 12.825 295 2HE LYS 40 2HE LYS 40 -0.152 4.849 13.235 296 1HZ LYS 40 1HZ LYS 40 2.777 4.574 13.647 297 2HZ LYS 40 2HZ LYS 40 1.601 3.490 14.169 298 3HZ LYS 40 3HZ LYS 40 1.695 5.050 14.837 299 H THR 41 H THR 41 -2.309 2.837 8.462 300 HA THR 41 HA THR 41 -3.457 1.395 10.701 301 HB THR 41 HB THR 41 -4.798 3.846 9.890 302 HG1 THR 41 HG1 THR 41 -3.171 4.372 12.072 303 1HG2 THR 41 21HG THR 41 -4.405 2.516 12.572 304 2HG2 THR 41 22HG THR 41 -5.819 2.398 11.519 305 3HG2 THR 41 23HG THR 41 -5.421 3.933 12.293 306 H VAL 42 H VAL 42 -5.641 0.851 10.115 307 HA VAL 42 HA VAL 42 -6.267 1.273 7.307 308 HB VAL 42 HB VAL 42 -7.046 -1.190 8.958 309 1HG1 VAL 42 11HG VAL 42 -7.575 -2.203 6.734 310 2HG1 VAL 42 12HG VAL 42 -7.313 -0.607 6.022 311 3HG1 VAL 42 13HG VAL 42 -8.604 -0.853 7.200 312 1HG2 VAL 42 21HG VAL 42 -5.417 -2.466 7.652 313 2HG2 VAL 42 22HG VAL 42 -4.649 -1.213 8.627 314 3HG2 VAL 42 23HG VAL 42 -4.866 -0.972 6.892 315 H THR 43 H THR 43 -8.821 0.986 7.178 316 HA THR 43 HA THR 43 -10.153 2.762 8.893 317 HB THR 43 HB THR 43 -11.114 2.342 6.680 318 HG1 THR 43 HG1 THR 43 -13.003 2.581 7.447 319 1HG2 THR 43 21HG THR 43 -11.333 -0.541 7.502 320 2HG2 THR 43 22HG THR 43 -10.215 0.126 6.306 321 3HG2 THR 43 23HG THR 43 -11.946 0.149 5.999 322 H GLU 44 H GLU 44 -12.283 1.877 10.052 323 HA GLU 44 HA GLU 44 -11.671 0.426 12.345 324 1HB GLU 44 1HB GLU 44 -14.142 0.313 12.567 325 2HB GLU 44 2HB GLU 44 -13.558 1.937 12.226 326 1HG GLU 44 1HG GLU 44 -14.102 1.622 9.875 327 2HG GLU 44 2HG GLU 44 -14.682 0.007 10.240 328 H GLY 45 H GLY 45 -12.752 -0.561 9.244 329 1HA GLY 45 1HA GLY 45 -11.936 -3.234 9.680 330 2HA GLY 45 2HA GLY 45 -13.687 -3.078 9.679 331 H GLY 46 H GLY 46 -14.590 -1.785 7.821 332 1HA GLY 46 1HA GLY 46 -15.146 -1.909 5.779 333 2HA GLY 46 2HA GLY 46 -13.446 -1.584 5.460 334 H ALA 47 H ALA 47 -14.559 -2.823 3.818 335 HA ALA 47 HA ALA 47 -14.355 -5.667 3.894 336 1HB ALA 47 1HB ALA 47 -15.589 -4.540 2.089 337 2HB ALA 47 2HB ALA 47 -14.364 -5.634 1.447 338 3HB ALA 47 3HB ALA 47 -14.074 -3.896 1.456 339 H ALA 48 H ALA 48 -12.029 -3.394 4.266 340 HA ALA 48 HA ALA 48 -9.792 -4.633 2.858 341 1HB ALA 48 1HB ALA 48 -9.830 -2.393 4.889 342 2HB ALA 48 2HB ALA 48 -9.806 -2.210 3.130 343 3HB ALA 48 3HB ALA 48 -8.429 -2.922 3.960 344 H GLN 49 H GLN 49 -10.454 -3.957 6.372 345 HA GLN 49 HA GLN 49 -8.536 -5.899 7.078 346 1HB GLN 49 1HB GLN 49 -10.584 -4.370 8.653 347 2HB GLN 49 2HB GLN 49 -9.582 -5.598 9.435 348 1HG GLN 49 1HG GLN 49 -7.589 -4.334 8.545 349 2HG GLN 49 2HG GLN 49 -8.736 -3.101 8.035 350 1HE2 GLN 49 21HE GLN 49 -10.422 -3.212 10.396 351 2HE2 GLN 49 22HE GLN 49 -9.473 -2.592 11.668 352 H ARG 50 H ARG 50 -11.931 -6.005 6.435 353 HA ARG 50 HA ARG 50 -12.123 -8.622 7.510 354 1HB ARG 50 1HB ARG 50 -14.061 -7.048 5.837 355 2HB ARG 50 2HB ARG 50 -14.393 -8.684 6.404 356 1HG ARG 50 1HG ARG 50 -13.714 -6.375 8.189 357 2HG ARG 50 2HG ARG 50 -15.374 -6.931 7.878 358 1HD ARG 50 1HD ARG 50 -14.851 -9.066 8.888 359 2HD ARG 50 2HD ARG 50 -13.158 -8.639 9.065 360 HE ARG 50 HE ARG 50 -14.853 -6.815 10.406 361 1HH1 ARG 50 11HH ARG 50 -13.391 -10.047 10.671 362 2HH1 ARG 50 12HH ARG 50 -13.446 -10.041 12.378 363 1HH2 ARG 50 21HH ARG 50 -14.866 -6.866 12.752 364 2HH2 ARG 50 22HH ARG 50 -14.248 -8.237 13.567 365 H ASP 51 H ASP 51 -11.091 -7.341 4.494 366 HA ASP 51 HA ASP 51 -11.313 -9.738 2.968 367 1HB ASP 51 1HB ASP 51 -10.732 -7.596 1.900 368 2HB ASP 51 2HB ASP 51 -9.235 -7.522 2.814 369 H GLY 52 H GLY 52 -8.420 -8.370 4.466 370 1HA GLY 52 1HA GLY 52 -7.143 -9.469 6.138 371 2HA GLY 52 2HA GLY 52 -7.906 -10.973 5.671 372 H ARG 53 H ARG 53 -7.063 -9.913 2.732 373 HA ARG 53 HA ARG 53 -4.649 -11.493 2.805 374 1HB ARG 53 1HB ARG 53 -6.528 -11.351 0.958 375 2HB ARG 53 2HB ARG 53 -5.656 -9.934 0.419 376 1HG ARG 53 1HG ARG 53 -4.381 -12.656 0.641 377 2HG ARG 53 2HG ARG 53 -5.215 -12.106 -0.803 378 1HD ARG 53 1HD ARG 53 -3.635 -10.207 -0.935 379 2HD ARG 53 2HD ARG 53 -2.779 -10.866 0.457 380 HE ARG 53 HE ARG 53 -2.056 -12.680 -0.833 381 1HH1 ARG 53 11HH ARG 53 -3.936 -10.418 -2.808 382 2HH1 ARG 53 12HH ARG 53 -3.349 -10.960 -4.297 383 1HH2 ARG 53 21HH ARG 53 -1.230 -13.439 -2.855 384 2HH2 ARG 53 22HH ARG 53 -1.749 -12.757 -4.324 385 H ILE 54 H ILE 54 -5.582 -8.254 2.982 386 HA ILE 54 HA ILE 54 -2.831 -7.238 2.748 387 HB ILE 54 HB ILE 54 -4.761 -6.124 1.447 388 1HG1 ILE 54 11HG ILE 54 -3.415 -4.308 3.464 389 2HG1 ILE 54 12HG ILE 54 -2.601 -4.965 2.049 390 1HG2 ILE 54 21HG ILE 54 -6.235 -4.606 2.784 391 2HG2 ILE 54 22HG ILE 54 -5.576 -5.362 4.250 392 3HG2 ILE 54 23HG ILE 54 -6.501 -6.325 3.110 393 1HD1 ILE 54 11HD ILE 54 -5.036 -3.197 1.981 394 2HD1 ILE 54 12HD ILE 54 -4.104 -3.800 0.594 395 3HD1 ILE 54 13HD ILE 54 -3.366 -2.670 1.711 396 H GLN 55 H GLN 55 -2.309 -5.543 4.659 397 HA GLN 55 HA GLN 55 -3.723 -6.346 7.061 398 1HB GLN 55 1HB GLN 55 -0.704 -6.310 6.832 399 2HB GLN 55 2HB GLN 55 -1.623 -6.718 8.264 400 1HG GLN 55 1HG GLN 55 -2.522 -8.677 7.059 401 2HG GLN 55 2HG GLN 55 -1.429 -8.296 5.728 402 1HE2 GLN 55 21HE GLN 55 -0.248 -10.154 5.939 403 2HE2 GLN 55 22HE GLN 55 0.787 -10.457 7.291 404 H VAL 56 H VAL 56 -1.930 -5.032 8.778 405 HA VAL 56 HA VAL 56 -2.040 -2.247 7.905 406 HB VAL 56 HB VAL 56 -3.673 -2.853 9.726 407 1HG1 VAL 56 11HG VAL 56 -2.468 -4.562 10.882 408 2HG1 VAL 56 12HG VAL 56 -2.842 -3.262 12.020 409 3HG1 VAL 56 13HG VAL 56 -1.212 -3.420 11.358 410 1HG2 VAL 56 21HG VAL 56 -1.523 -0.898 10.551 411 2HG2 VAL 56 22HG VAL 56 -3.152 -0.941 11.221 412 3HG2 VAL 56 23HG VAL 56 -2.903 -0.529 9.531 413 H ASN 57 H ASN 57 -0.024 -4.470 7.829 414 HA ASN 57 HA ASN 57 2.164 -3.151 9.320 415 1HB ASN 57 1HB ASN 57 1.335 -5.102 10.627 416 2HB ASN 57 2HB ASN 57 1.728 -6.149 9.274 417 1HD2 ASN 57 21HD ASN 57 2.991 -4.169 11.807 418 2HD2 ASN 57 22HD ASN 57 4.596 -4.805 11.816 419 H ASP 58 H ASP 58 1.041 -4.303 6.430 420 HA ASP 58 HA ASP 58 3.472 -5.264 5.309 421 1HB ASP 58 1HB ASP 58 1.978 -5.409 3.270 422 2HB ASP 58 2HB ASP 58 1.427 -6.378 4.631 423 H GLN 59 H GLN 59 3.657 -4.319 2.918 424 HA GLN 59 HA GLN 59 4.011 -1.434 3.253 425 1HB GLN 59 1HB GLN 59 6.141 -2.490 3.412 426 2HB GLN 59 2HB GLN 59 5.788 -3.476 1.991 427 1HG GLN 59 1HG GLN 59 5.953 -1.612 0.546 428 2HG GLN 59 2HG GLN 59 5.969 -0.484 1.892 429 1HE2 GLN 59 21HE GLN 59 7.798 -0.184 3.016 430 2HE2 GLN 59 22HE GLN 59 9.350 -0.704 2.447 431 H ILE 60 H ILE 60 3.089 -0.220 1.783 432 HA ILE 60 HA ILE 60 1.643 -1.291 -0.459 433 HB ILE 60 HB ILE 60 2.346 1.586 0.188 434 1HG1 ILE 60 11HG ILE 60 1.015 0.628 2.022 435 2HG1 ILE 60 12HG ILE 60 0.073 1.786 1.087 436 1HG2 ILE 60 21HG ILE 60 0.143 0.522 -1.536 437 2HG2 ILE 60 22HG ILE 60 1.712 0.998 -2.138 438 3HG2 ILE 60 23HG ILE 60 0.660 2.215 -1.394 439 1HD1 ILE 60 11HD ILE 60 -1.046 -0.058 -0.064 440 2HD1 ILE 60 12HD ILE 60 -1.273 -0.133 1.682 441 3HD1 ILE 60 13HD ILE 60 -0.114 -1.207 0.899 442 H VAL 61 H VAL 61 2.739 -1.874 -2.272 443 HA VAL 61 HA VAL 61 5.299 -0.569 -2.894 444 HB VAL 61 HB VAL 61 4.019 -3.083 -3.980 445 1HG1 VAL 61 11HG VAL 61 5.467 -2.099 -5.637 446 2HG1 VAL 61 12HG VAL 61 6.111 -3.601 -4.971 447 3HG1 VAL 61 13HG VAL 61 6.795 -2.047 -4.457 448 1HG2 VAL 61 21HG VAL 61 5.743 -4.261 -2.690 449 2HG2 VAL 61 22HG VAL 61 4.648 -3.331 -1.678 450 3HG2 VAL 61 23HG VAL 61 6.268 -2.717 -2.016 451 H GLU 62 H GLU 62 2.284 -1.442 -4.470 452 HA GLU 62 HA GLU 62 2.455 0.892 -6.194 453 1HB GLU 62 1HB GLU 62 3.619 -0.635 -7.538 454 2HB GLU 62 2HB GLU 62 2.542 -1.961 -7.211 455 1HG GLU 62 1HG GLU 62 0.765 -0.724 -8.443 456 2HG GLU 62 2HG GLU 62 1.960 0.509 -8.831 457 H VAL 63 H VAL 63 0.455 1.797 -5.853 458 HA VAL 63 HA VAL 63 -1.734 -0.090 -5.622 459 HB VAL 63 HB VAL 63 -1.162 2.515 -4.251 460 1HG1 VAL 63 11HG VAL 63 -3.921 1.394 -4.747 461 2HG1 VAL 63 12HG VAL 63 -3.263 2.882 -5.448 462 3HG1 VAL 63 13HG VAL 63 -3.504 2.763 -3.702 463 1HG2 VAL 63 21HG VAL 63 -0.825 0.309 -3.229 464 2HG2 VAL 63 22HG VAL 63 -2.557 0.006 -3.427 465 3HG2 VAL 63 23HG VAL 63 -2.009 1.321 -2.392 466 H ASP 64 H ASP 64 -3.129 -0.174 -7.063 467 HA ASP 64 HA ASP 64 -4.577 0.276 -8.729 468 1HB ASP 64 1HB ASP 64 -5.138 2.379 -7.562 469 2HB ASP 64 2HB ASP 64 -3.800 3.190 -8.356 470 H GLY 65 H GLY 65 -1.474 0.645 -8.950 471 1HA GLY 65 1HA GLY 65 -0.182 0.083 -10.886 472 2HA GLY 65 2HA GLY 65 -1.492 0.734 -11.874 473 H ILE 66 H ILE 66 -0.825 2.687 -9.193 474 HA ILE 66 HA ILE 66 0.179 4.773 -10.840 475 HB ILE 66 HB ILE 66 -1.250 4.867 -8.510 476 1HG1 ILE 66 11HG ILE 66 0.851 6.927 -9.217 477 2HG1 ILE 66 12HG ILE 66 -0.687 6.748 -10.061 478 1HG2 ILE 66 21HG ILE 66 1.596 5.124 -7.613 479 2HG2 ILE 66 22HG ILE 66 0.437 3.894 -7.104 480 3HG2 ILE 66 23HG ILE 66 0.186 5.588 -6.664 481 1HD1 ILE 66 11HD ILE 66 -0.299 7.481 -7.179 482 2HD1 ILE 66 12HD ILE 66 -1.855 7.237 -7.972 483 3HD1 ILE 66 13HD ILE 66 -0.800 8.565 -8.481 484 H SER 67 H SER 67 1.561 2.197 -9.267 485 HA SER 67 HA SER 67 3.565 1.551 -8.419 486 1HB SER 67 1HB SER 67 4.323 3.137 -10.770 487 2HB SER 67 2HB SER 67 5.330 1.826 -10.082 488 HG SER 67 HG SER 67 3.620 0.372 -10.711 489 H LEU 68 H LEU 68 3.635 2.685 -6.484 490 HA LEU 68 HA LEU 68 4.816 5.348 -6.504 491 1HB LEU 68 1HB LEU 68 4.182 5.392 -4.147 492 2HB LEU 68 2HB LEU 68 2.823 5.077 -5.207 493 HG LEU 68 HG LEU 68 4.021 2.621 -4.311 494 1HD1 LEU 68 11HD LEU 68 3.024 4.526 -2.202 495 2HD1 LEU 68 12HD LEU 68 4.683 3.962 -2.440 496 3HD1 LEU 68 13HD LEU 68 3.426 2.811 -1.968 497 1HD2 LEU 68 21HD LEU 68 1.864 2.925 -5.325 498 2HD2 LEU 68 22HD LEU 68 1.305 3.851 -3.916 499 3HD2 LEU 68 23HD LEU 68 1.736 2.140 -3.759 500 H VAL 69 H VAL 69 6.110 2.755 -6.905 501 HA VAL 69 HA VAL 69 7.835 2.028 -4.930 502 HB VAL 69 HB VAL 69 8.488 2.083 -7.884 503 1HG1 VAL 69 11HG VAL 69 9.753 0.490 -5.655 504 2HG1 VAL 69 12HG VAL 69 10.510 1.810 -6.543 505 3HG1 VAL 69 13HG VAL 69 10.103 0.308 -7.375 506 1HG2 VAL 69 21HG VAL 69 7.289 -0.070 -6.141 507 2HG2 VAL 69 22HG VAL 69 7.767 -0.269 -7.829 508 3HG2 VAL 69 23HG VAL 69 6.461 0.837 -7.407 509 H GLY 70 H GLY 70 8.741 3.575 -3.714 510 1HA GLY 70 1HA GLY 70 10.798 4.610 -3.190 511 2HA GLY 70 2HA GLY 70 11.030 4.959 -4.893 512 H VAL 71 H VAL 71 7.933 5.716 -3.490 513 HA VAL 71 HA VAL 71 8.534 8.549 -3.841 514 HB VAL 71 HB VAL 71 6.141 8.949 -3.699 515 1HG1 VAL 71 11HG VAL 71 7.005 8.250 -5.849 516 2HG1 VAL 71 12HG VAL 71 5.356 7.681 -5.599 517 3HG1 VAL 71 13HG VAL 71 6.707 6.563 -5.426 518 1HG2 VAL 71 21HG VAL 71 5.622 7.342 -1.923 519 2HG2 VAL 71 22HG VAL 71 5.859 6.009 -3.052 520 3HG2 VAL 71 23HG VAL 71 4.537 7.158 -3.296 521 H THR 72 H THR 72 7.089 9.935 -2.158 522 HA THR 72 HA THR 72 8.070 9.219 0.517 523 HB THR 72 HB THR 72 7.387 11.566 1.055 524 HG1 THR 72 HG1 THR 72 7.326 12.209 -1.661 525 1HG2 THR 72 21HG THR 72 9.298 12.640 -0.081 526 2HG2 THR 72 22HG THR 72 9.425 11.232 -1.152 527 3HG2 THR 72 23HG THR 72 9.691 11.058 0.588 528 H GLN 73 H GLN 73 6.590 10.194 2.216 529 HA GLN 73 HA GLN 73 4.251 8.638 2.125 530 1HB GLN 73 1HB GLN 73 4.135 8.950 4.382 531 2HB GLN 73 2HB GLN 73 5.700 9.698 4.167 532 1HG GLN 73 1HG GLN 73 3.116 11.229 4.208 533 2HG GLN 73 2HG GLN 73 4.100 10.939 5.632 534 1HE2 GLN 73 21HE GLN 73 6.629 11.269 4.213 535 2HE2 GLN 73 22HE GLN 73 6.739 12.949 3.882 536 H ASN 74 H ASN 74 4.914 11.865 1.195 537 HA ASN 74 HA ASN 74 2.313 12.982 1.268 538 1HB ASN 74 1HB ASN 74 4.392 13.546 -0.861 539 2HB ASN 74 2HB ASN 74 3.046 14.576 -0.420 540 1HD2 ASN 74 21HD ASN 74 6.186 13.555 0.229 541 2HD2 ASN 74 22HD ASN 74 6.547 14.659 1.521 542 H PHE 75 H PHE 75 4.127 11.269 -1.184 543 HA PHE 75 HA PHE 75 2.133 11.499 -3.107 544 1HB PHE 75 1HB PHE 75 4.527 11.100 -3.640 545 2HB PHE 75 2HB PHE 75 4.347 9.468 -3.001 546 HD1 PHE 75 HD1 PHE 75 3.909 11.615 -5.855 547 HD2 PHE 75 HD2 PHE 75 2.814 7.856 -4.191 548 HE1 PHE 75 HE1 PHE 75 3.217 10.827 -8.078 549 HE2 PHE 75 HE2 PHE 75 2.129 7.063 -6.381 550 HZ PHE 75 HZ PHE 75 2.324 8.547 -8.351 551 H ALA 76 H ALA 76 3.183 8.872 -0.963 552 HA ALA 76 HA ALA 76 1.337 6.962 -1.830 553 1HB ALA 76 1HB ALA 76 2.639 7.173 0.875 554 2HB ALA 76 2HB ALA 76 3.330 6.415 -0.565 555 3HB ALA 76 3HB ALA 76 1.877 5.743 0.175 556 H ALA 77 H ALA 77 1.072 9.385 0.778 557 HA ALA 77 HA ALA 77 -1.438 8.471 1.726 558 1HB ALA 77 1HB ALA 77 -0.234 11.231 1.926 559 2HB ALA 77 2HB ALA 77 0.061 9.908 3.056 560 3HB ALA 77 3HB ALA 77 -1.554 10.603 2.914 561 H THR 78 H THR 78 -0.490 10.222 -1.001 562 HA THR 78 HA THR 78 -3.069 11.384 -1.451 563 HB THR 78 HB THR 78 -0.564 11.276 -3.143 564 HG1 THR 78 HG1 THR 78 -0.275 12.621 -1.454 565 1HG2 THR 78 21HG THR 78 -3.133 12.801 -3.635 566 2HG2 THR 78 22HG THR 78 -2.556 11.417 -4.565 567 3HG2 THR 78 23HG THR 78 -1.649 12.932 -4.587 568 H VAL 79 H VAL 79 -1.114 8.744 -2.948 569 HA VAL 79 HA VAL 79 -3.161 8.001 -4.639 570 HB VAL 79 HB VAL 79 -0.983 7.198 -5.250 571 1HG1 VAL 79 11HG VAL 79 -1.068 5.730 -2.756 572 2HG1 VAL 79 12HG VAL 79 -0.177 7.205 -3.163 573 3HG1 VAL 79 13HG VAL 79 0.233 5.657 -3.993 574 1HG2 VAL 79 21HG VAL 79 -1.372 4.836 -5.588 575 2HG2 VAL 79 22HG VAL 79 -2.828 5.790 -5.925 576 3HG2 VAL 79 23HG VAL 79 -2.683 4.892 -4.409 577 H LEU 80 H LEU 80 -2.407 6.663 -1.429 578 HA LEU 80 HA LEU 80 -4.535 4.764 -1.476 579 1HB LEU 80 1HB LEU 80 -2.933 5.917 0.797 580 2HB LEU 80 2HB LEU 80 -4.282 4.849 1.099 581 HG LEU 80 HG LEU 80 -2.267 3.579 1.259 582 1HD1 LEU 80 11HD LEU 80 -4.183 2.514 0.185 583 2HD1 LEU 80 12HD LEU 80 -2.633 1.846 -0.318 584 3HD1 LEU 80 13HD LEU 80 -3.511 2.933 -1.392 585 1HD2 LEU 80 21HD LEU 80 -0.834 5.072 -0.112 586 2HD2 LEU 80 22HD LEU 80 -1.605 4.371 -1.551 587 3HD2 LEU 80 23HD LEU 80 -0.649 3.355 -0.472 588 H ARG 81 H ARG 81 -4.587 8.040 -1.151 589 HA ARG 81 HA ARG 81 -7.058 8.302 0.339 590 1HB ARG 81 1HB ARG 81 -5.336 10.031 0.358 591 2HB ARG 81 2HB ARG 81 -5.480 10.200 -1.380 592 1HG ARG 81 1HG ARG 81 -7.882 10.857 -0.971 593 2HG ARG 81 2HG ARG 81 -7.437 10.994 0.736 594 1HD ARG 81 1HD ARG 81 -5.572 12.517 0.037 595 2HD ARG 81 2HD ARG 81 -6.248 12.427 -1.598 596 HE ARG 81 HE ARG 81 -8.353 13.162 -0.106 597 1HH1 ARG 81 11HH ARG 81 -5.141 14.594 -0.547 598 2HH1 ARG 81 12HH ARG 81 -5.685 16.167 -0.172 599 1HH2 ARG 81 21HH ARG 81 -9.032 15.267 0.400 600 2HH2 ARG 81 22HH ARG 81 -7.926 16.567 0.380 601 H ASN 82 H ASN 82 -5.891 8.469 -2.955 602 HA ASN 82 HA ASN 82 -8.381 9.376 -4.014 603 1HB ASN 82 1HB ASN 82 -5.662 9.011 -5.078 604 2HB ASN 82 2HB ASN 82 -6.980 9.002 -6.236 605 1HD2 ASN 82 21HD ASN 82 -5.288 10.855 -3.864 606 2HD2 ASN 82 22HD ASN 82 -5.968 12.377 -4.321 607 H THR 83 H THR 83 -7.155 6.324 -3.386 608 HA THR 83 HA THR 83 -8.073 4.923 -5.616 609 HB THR 83 HB THR 83 -7.979 3.010 -3.998 610 HG1 THR 83 HG1 THR 83 -8.189 4.522 -2.150 611 1HG2 THR 83 21HG THR 83 -5.531 3.054 -4.003 612 2HG2 THR 83 22HG THR 83 -5.571 4.769 -4.399 613 3HG2 THR 83 23HG THR 83 -6.193 3.579 -5.549 614 H LYS 84 H LYS 84 -9.880 3.790 -5.979 615 HA LYS 84 HA LYS 84 -12.101 4.052 -4.099 616 1HB LYS 84 1HB LYS 84 -12.172 4.939 -6.969 617 2HB LYS 84 2HB LYS 84 -13.617 4.535 -6.051 618 1HG LYS 84 1HG LYS 84 -11.639 6.686 -5.363 619 2HG LYS 84 2HG LYS 84 -13.236 6.928 -6.090 620 1HD LYS 84 1HD LYS 84 -14.237 5.812 -4.154 621 2HD LYS 84 2HD LYS 84 -12.659 5.682 -3.421 622 1HE LYS 84 1HE LYS 84 -12.376 8.115 -3.479 623 2HE LYS 84 2HE LYS 84 -13.987 8.295 -4.169 624 1HZ LYS 84 1HZ LYS 84 -13.296 7.294 -1.452 625 2HZ LYS 84 2HZ LYS 84 -14.860 7.255 -2.110 626 3HZ LYS 84 3HZ LYS 84 -14.100 8.720 -1.843 627 H GLY 85 H GLY 85 -13.526 2.531 -4.055 628 1HA GLY 85 1HA GLY 85 -14.313 0.489 -4.063 629 2HA GLY 85 2HA GLY 85 -14.369 0.716 -5.799 630 H ASN 86 H ASN 86 -12.661 0.203 -6.822 631 HA ASN 86 HA ASN 86 -11.534 -2.372 -5.825 632 1HB ASN 86 1HB ASN 86 -12.108 -1.622 -8.666 633 2HB ASN 86 2HB ASN 86 -11.144 -3.045 -8.252 634 1HD2 ASN 86 21HD ASN 86 -12.554 -4.663 -8.923 635 2HD2 ASN 86 22HD ASN 86 -14.124 -4.869 -8.245 636 H VAL 87 H VAL 87 -9.704 -2.092 -5.046 637 HA VAL 87 HA VAL 87 -7.834 -0.310 -6.424 638 HB VAL 87 HB VAL 87 -7.854 -1.121 -3.548 639 1HG1 VAL 87 11HG VAL 87 -6.284 0.738 -3.299 640 2HG1 VAL 87 12HG VAL 87 -6.304 0.933 -5.069 641 3HG1 VAL 87 13HG VAL 87 -5.732 -0.585 -4.337 642 1HG2 VAL 87 21HG VAL 87 -8.895 1.366 -4.876 643 2HG2 VAL 87 22HG VAL 87 -8.666 1.171 -3.129 644 3HG2 VAL 87 23HG VAL 87 -9.810 0.136 -3.997 645 H ARG 88 H ARG 88 -6.089 -1.289 -7.302 646 HA ARG 88 HA ARG 88 -5.420 -3.983 -6.421 647 1HB ARG 88 1HB ARG 88 -4.252 -2.313 -8.627 648 2HB ARG 88 2HB ARG 88 -3.621 -3.877 -8.148 649 1HG ARG 88 1HG ARG 88 -4.921 -4.524 -9.829 650 2HG ARG 88 2HG ARG 88 -6.086 -4.617 -8.538 651 1HD ARG 88 1HD ARG 88 -7.062 -3.498 -10.492 652 2HD ARG 88 2HD ARG 88 -7.001 -2.439 -9.087 653 HE ARG 88 HE ARG 88 -4.969 -1.461 -10.132 654 1HH1 ARG 88 11HH ARG 88 -7.370 -3.036 -12.196 655 2HH1 ARG 88 12HH ARG 88 -6.983 -2.127 -13.577 656 1HH2 ARG 88 21HH ARG 88 -4.454 -0.175 -12.053 657 2HH2 ARG 88 22HH ARG 88 -5.286 -0.476 -13.490 658 H PHE 89 H PHE 89 -4.445 -3.979 -4.571 659 HA PHE 89 HA PHE 89 -2.287 -2.082 -4.081 660 1HB PHE 89 1HB PHE 89 -3.364 -4.307 -2.332 661 2HB PHE 89 2HB PHE 89 -2.134 -3.131 -1.901 662 HD1 PHE 89 HD1 PHE 89 -2.724 -0.947 -1.228 663 HD2 PHE 89 HD2 PHE 89 -5.689 -3.667 -2.527 664 HE1 PHE 89 HE1 PHE 89 -4.465 0.508 -0.278 665 HE2 PHE 89 HE2 PHE 89 -7.443 -2.189 -1.588 666 HZ PHE 89 HZ PHE 89 -6.841 -0.139 -0.476 667 H VAL 90 H VAL 90 -0.596 -2.755 -5.318 668 HA VAL 90 HA VAL 90 -0.002 -5.573 -5.303 669 HB VAL 90 HB VAL 90 1.439 -3.289 -6.650 670 1HG1 VAL 90 11HG VAL 90 1.782 -6.277 -7.005 671 2HG1 VAL 90 12HG VAL 90 2.938 -5.178 -6.253 672 3HG1 VAL 90 13HG VAL 90 2.590 -5.047 -7.976 673 1HG2 VAL 90 21HG VAL 90 -0.783 -3.605 -7.576 674 2HG2 VAL 90 22HG VAL 90 -0.447 -5.320 -7.833 675 3HG2 VAL 90 23HG VAL 90 0.446 -4.103 -8.738 676 H ILE 91 H ILE 91 0.550 -5.875 -3.285 677 HA ILE 91 HA ILE 91 2.781 -4.453 -2.061 678 HB ILE 91 HB ILE 91 0.443 -6.079 -1.016 679 1HG1 ILE 91 11HG ILE 91 1.230 -3.232 -0.488 680 2HG1 ILE 91 12HG ILE 91 0.073 -3.697 -1.721 681 1HG2 ILE 91 21HG ILE 91 2.677 -4.940 0.681 682 2HG2 ILE 91 22HG ILE 91 2.378 -6.650 0.395 683 3HG2 ILE 91 23HG ILE 91 1.207 -5.696 1.297 684 1HD1 ILE 91 11HD ILE 91 -0.986 -2.919 0.189 685 2HD1 ILE 91 12HD ILE 91 -0.153 -4.133 1.191 686 3HD1 ILE 91 13HD ILE 91 -1.312 -4.643 -0.073 687 H GLY 92 H GLY 92 4.220 -6.037 -0.768 688 1HA GLY 92 1HA GLY 92 4.303 -8.558 -2.230 689 2HA GLY 92 2HA GLY 92 5.739 -7.558 -2.120 690 H ARG 93 H ARG 93 5.576 -10.175 -1.255 691 HA ARG 93 HA ARG 93 5.926 -9.893 1.655 692 1HB ARG 93 1HB ARG 93 4.211 -11.495 1.199 693 2HB ARG 93 2HB ARG 93 5.208 -12.279 -0.019 694 1HG ARG 93 1HG ARG 93 6.709 -13.104 1.639 695 2HG ARG 93 2HG ARG 93 5.890 -12.175 2.899 696 1HD ARG 93 1HD ARG 93 3.984 -13.430 2.744 697 2HD ARG 93 2HD ARG 93 4.498 -14.128 1.192 698 HE ARG 93 HE ARG 93 6.374 -15.087 2.702 699 1HH1 ARG 93 11HH ARG 93 2.953 -14.824 3.688 700 2HH1 ARG 93 12HH ARG 93 2.995 -16.229 4.631 701 1HH2 ARG 93 21HH ARG 93 6.381 -17.030 4.032 702 2HH2 ARG 93 22HH ARG 93 4.967 -17.476 4.863 703 H GLU 94 H GLU 94 7.843 -10.465 2.502 704 HA GLU 94 HA GLU 94 9.902 -11.041 0.564 705 1HB GLU 94 1HB GLU 94 11.513 -10.029 2.190 706 2HB GLU 94 2HB GLU 94 10.257 -8.960 1.588 707 1HG GLU 94 1HG GLU 94 10.521 -8.373 3.834 708 2HG GLU 94 2HG GLU 94 9.052 -9.331 3.772 Start of MODEL 12 1 1H GLY 1 1H GLY 1 16.037 -8.465 1.758 2 2H GLY 1 2H GLY 1 14.460 -8.643 1.129 3 3H GLY 1 3H GLY 1 15.470 -7.412 0.564 4 1HA GLY 1 1HA GLY 1 16.902 -8.979 -0.479 5 2HA GLY 1 2HA GLY 1 15.956 -10.290 0.234 6 H HIS 2 H HIS 2 14.853 -11.223 -1.371 7 HA HIS 2 HA HIS 2 13.778 -9.601 -3.497 8 1HB HIS 2 1HB HIS 2 13.756 -12.568 -2.992 9 2HB HIS 2 2HB HIS 2 12.744 -11.841 -4.223 10 HD1 HIS 2 HD1 HIS 2 13.779 -11.536 -6.453 11 HD2 HIS 2 HD2 HIS 2 16.614 -12.089 -3.472 12 HE1 HIS 2 HE1 HIS 2 15.998 -11.756 -7.633 13 H MET 3 H MET 3 12.180 -8.412 -2.921 14 HA MET 3 HA MET 3 10.134 -9.113 -1.068 15 1HB MET 3 1HB MET 3 10.777 -6.770 -1.636 16 2HB MET 3 2HB MET 3 10.125 -7.009 -3.246 17 1HG MET 3 1HG MET 3 8.500 -5.822 -2.029 18 2HG MET 3 2HG MET 3 7.925 -7.481 -2.160 19 1HE MET 3 1HE MET 3 10.622 -5.882 0.282 20 2HE MET 3 2HE MET 3 9.592 -5.559 1.673 21 3HE MET 3 3HE MET 3 9.321 -4.699 0.159 22 H GLU 4 H GLU 4 8.396 -10.347 -1.466 23 HA GLU 4 HA GLU 4 7.890 -11.295 -4.159 24 1HB GLU 4 1HB GLU 4 7.785 -12.834 -2.227 25 2HB GLU 4 2HB GLU 4 6.513 -11.852 -1.529 26 1HG GLU 4 1HG GLU 4 5.074 -12.391 -3.438 27 2HG GLU 4 2HG GLU 4 6.347 -13.425 -4.083 28 H LEU 5 H LEU 5 6.908 -9.718 -5.389 29 HA LEU 5 HA LEU 5 4.926 -8.003 -4.175 30 1HB LEU 5 1HB LEU 5 5.652 -8.125 -7.116 31 2HB LEU 5 2HB LEU 5 4.747 -6.882 -6.291 32 HG LEU 5 HG LEU 5 6.757 -5.930 -6.684 33 1HD1 LEU 5 11HD LEU 5 6.044 -5.538 -4.458 34 2HD1 LEU 5 12HD LEU 5 7.814 -5.571 -4.527 35 3HD1 LEU 5 13HD LEU 5 6.922 -6.964 -3.904 36 1HD2 LEU 5 21HD LEU 5 8.964 -6.925 -6.218 37 2HD2 LEU 5 22HD LEU 5 8.040 -7.864 -7.387 38 3HD2 LEU 5 23HD LEU 5 8.165 -8.410 -5.715 39 H PHE 6 H PHE 6 2.801 -8.254 -4.285 40 HA PHE 6 HA PHE 6 1.744 -10.040 -6.252 41 1HB PHE 6 1HB PHE 6 0.217 -10.928 -4.448 42 2HB PHE 6 2HB PHE 6 1.822 -11.637 -4.532 43 HD1 PHE 6 HD1 PHE 6 -0.602 -9.641 -2.763 44 HD2 PHE 6 HD2 PHE 6 3.342 -11.158 -2.622 45 HE1 PHE 6 HE1 PHE 6 -0.512 -9.130 -0.340 46 HE2 PHE 6 HE2 PHE 6 3.472 -10.656 -0.218 47 HZ PHE 6 HZ PHE 6 1.540 -9.640 0.932 48 HA PRO 7 HA PRO 7 -1.324 -6.866 -6.418 49 1HB PRO 7 1HB PRO 7 -2.991 -8.024 -8.071 50 2HB PRO 7 2HB PRO 7 -1.419 -7.437 -8.608 51 1HG PRO 7 1HG PRO 7 -2.238 -10.265 -7.940 52 2HG PRO 7 2HG PRO 7 -1.220 -9.696 -9.296 53 1HD PRO 7 1HD PRO 7 -0.339 -10.773 -6.914 54 2HD PRO 7 2HD PRO 7 0.627 -9.688 -7.946 55 H VAL 8 H VAL 8 -2.722 -6.493 -4.885 56 HA VAL 8 HA VAL 8 -4.621 -8.586 -4.181 57 HB VAL 8 HB VAL 8 -3.986 -6.118 -2.568 58 1HG1 VAL 8 11HG VAL 8 -5.465 -8.620 -1.819 59 2HG1 VAL 8 12HG VAL 8 -6.142 -7.012 -2.086 60 3HG1 VAL 8 13HG VAL 8 -5.066 -7.298 -0.717 61 1HG2 VAL 8 21HG VAL 8 -2.005 -7.426 -2.715 62 2HG2 VAL 8 22HG VAL 8 -2.876 -8.886 -2.222 63 3HG2 VAL 8 23HG VAL 8 -2.659 -7.548 -1.074 64 H GLU 9 H GLU 9 -6.383 -8.219 -5.400 65 HA GLU 9 HA GLU 9 -7.128 -5.480 -5.921 66 1HB GLU 9 1HB GLU 9 -7.206 -7.304 -7.688 67 2HB GLU 9 2HB GLU 9 -8.560 -7.980 -6.792 68 1HG GLU 9 1HG GLU 9 -9.819 -5.934 -7.118 69 2HG GLU 9 2HG GLU 9 -8.460 -5.228 -7.990 70 H LEU 10 H LEU 10 -8.191 -4.514 -4.402 71 HA LEU 10 HA LEU 10 -9.790 -6.093 -2.516 72 1HB LEU 10 1HB LEU 10 -7.877 -4.170 -2.181 73 2HB LEU 10 2HB LEU 10 -9.336 -3.210 -2.147 74 HG LEU 10 HG LEU 10 -8.684 -3.675 0.092 75 1HD1 LEU 10 11HD LEU 10 -11.067 -3.739 -0.251 76 2HD1 LEU 10 12HD LEU 10 -10.585 -4.872 1.014 77 3HD1 LEU 10 13HD LEU 10 -10.981 -5.463 -0.595 78 1HD2 LEU 10 21HD LEU 10 -8.400 -5.937 0.964 79 2HD2 LEU 10 22HD LEU 10 -7.235 -5.564 -0.307 80 3HD2 LEU 10 23HD LEU 10 -8.627 -6.585 -0.657 81 H GLU 11 H GLU 11 -11.990 -5.492 -2.276 82 HA GLU 11 HA GLU 11 -12.853 -3.327 -4.018 83 1HB GLU 11 1HB GLU 11 -13.746 -5.532 -4.777 84 2HB GLU 11 2HB GLU 11 -14.507 -5.729 -3.204 85 1HG GLU 11 1HG GLU 11 -15.790 -3.652 -3.606 86 2HG GLU 11 2HG GLU 11 -15.098 -3.580 -5.224 87 H LYS 12 H LYS 12 -12.691 -1.790 -2.572 88 HA LYS 12 HA LYS 12 -13.737 -2.160 0.042 89 1HB LYS 12 1HB LYS 12 -12.184 -0.032 -1.265 90 2HB LYS 12 2HB LYS 12 -13.101 0.433 0.144 91 1HG LYS 12 1HG LYS 12 -10.943 -1.680 -0.067 92 2HG LYS 12 2HG LYS 12 -10.813 -0.136 0.756 93 1HD LYS 12 1HD LYS 12 -13.049 -1.766 1.708 94 2HD LYS 12 2HD LYS 12 -11.485 -2.552 1.966 95 1HE LYS 12 1HE LYS 12 -12.132 -1.444 3.929 96 2HE LYS 12 2HE LYS 12 -10.865 -0.455 3.266 97 1HZ LYS 12 1HZ LYS 12 -13.803 0.068 3.133 98 2HZ LYS 12 2HZ LYS 12 -12.667 1.052 2.357 99 3HZ LYS 12 3HZ LYS 12 -12.684 0.954 4.021 100 H ASP 13 H ASP 13 -14.808 -0.322 0.989 101 HA ASP 13 HA ASP 13 -17.482 -0.155 0.128 102 1HB ASP 13 1HB ASP 13 -16.073 1.505 2.223 103 2HB ASP 13 2HB ASP 13 -17.757 0.998 2.184 104 H GLU 14 H GLU 14 -18.516 2.116 0.069 105 HA GLU 14 HA GLU 14 -17.250 3.705 -1.921 106 1HB GLU 14 1HB GLU 14 -19.159 5.247 -1.662 107 2HB GLU 14 2HB GLU 14 -19.683 3.582 -1.827 108 1HG GLU 14 1HG GLU 14 -20.062 3.450 0.570 109 2HG GLU 14 2HG GLU 14 -19.492 5.105 0.761 110 H ASP 15 H ASP 15 -17.098 3.649 1.452 111 HA ASP 15 HA ASP 15 -16.280 6.238 2.089 112 1HB ASP 15 1HB ASP 15 -16.717 4.546 3.785 113 2HB ASP 15 2HB ASP 15 -15.329 3.620 3.244 114 H GLY 16 H GLY 16 -14.639 3.568 0.652 115 1HA GLY 16 1HA GLY 16 -12.844 4.012 -0.890 116 2HA GLY 16 2HA GLY 16 -12.268 5.243 0.243 117 H LEU 17 H LEU 17 -10.372 4.420 0.877 118 HA LEU 17 HA LEU 17 -10.258 1.590 1.581 119 1HB LEU 17 1HB LEU 17 -8.056 3.567 1.977 120 2HB LEU 17 2HB LEU 17 -7.944 1.830 1.830 121 HG LEU 17 HG LEU 17 -8.517 3.826 -0.252 122 1HD1 LEU 17 11HD LEU 17 -6.264 1.882 0.158 123 2HD1 LEU 17 12HD LEU 17 -6.205 3.638 0.290 124 3HD1 LEU 17 13HD LEU 17 -6.460 2.878 -1.283 125 1HD2 LEU 17 21HD LEU 17 -8.605 0.821 -0.521 126 2HD2 LEU 17 22HD LEU 17 -8.588 1.961 -1.874 127 3HD2 LEU 17 23HD LEU 17 -9.938 1.957 -0.743 128 H GLY 18 H GLY 18 -10.003 4.757 3.014 129 1HA GLY 18 1HA GLY 18 -10.030 5.470 5.151 130 2HA GLY 18 2HA GLY 18 -10.791 3.933 5.570 131 H ILE 19 H ILE 19 -7.670 4.095 3.996 132 HA ILE 19 HA ILE 19 -6.542 3.061 6.500 133 HB ILE 19 HB ILE 19 -4.908 1.776 5.301 134 1HG1 ILE 19 11HG ILE 19 -5.989 2.961 2.737 135 2HG1 ILE 19 12HG ILE 19 -4.477 3.429 3.515 136 1HG2 ILE 19 21HG ILE 19 -7.572 1.462 3.925 137 2HG2 ILE 19 22HG ILE 19 -7.142 0.774 5.479 138 3HG2 ILE 19 23HG ILE 19 -6.307 0.234 4.012 139 1HD1 ILE 19 11HD ILE 19 -3.616 1.155 3.215 140 2HD1 ILE 19 12HD ILE 19 -4.042 1.900 1.678 141 3HD1 ILE 19 13HD ILE 19 -5.115 0.699 2.402 142 H SER 20 H SER 20 -3.974 3.336 6.389 143 HA SER 20 HA SER 20 -3.330 6.108 5.670 144 1HB SER 20 1HB SER 20 -2.899 4.835 8.385 145 2HB SER 20 2HB SER 20 -2.483 6.486 7.946 146 HG SER 20 HG SER 20 -4.718 6.787 7.508 147 H ILE 21 H ILE 21 -1.071 6.457 5.569 148 HA ILE 21 HA ILE 21 0.530 4.001 5.275 149 HB ILE 21 HB ILE 21 1.729 5.140 3.428 150 1HG1 ILE 21 11HG ILE 21 0.146 7.014 2.320 151 2HG1 ILE 21 12HG ILE 21 -0.283 7.265 3.984 152 1HG2 ILE 21 21HG ILE 21 0.065 3.494 2.909 153 2HG2 ILE 21 22HG ILE 21 0.022 4.789 1.709 154 3HG2 ILE 21 23HG ILE 21 -1.207 4.714 2.970 155 1HD1 ILE 21 11HD ILE 21 1.512 8.818 3.294 156 2HD1 ILE 21 12HD ILE 21 2.547 7.461 2.924 157 3HD1 ILE 21 13HD ILE 21 2.037 7.742 4.575 158 H ILE 22 H ILE 22 2.897 4.485 5.394 159 HA ILE 22 HA ILE 22 3.344 6.902 6.871 160 HB ILE 22 HB ILE 22 3.132 5.243 8.569 161 1HG1 ILE 22 11HG ILE 22 6.039 6.039 8.236 162 2HG1 ILE 22 12HG ILE 22 4.775 7.028 8.946 163 1HG2 ILE 22 21HG ILE 22 4.692 3.331 8.771 164 2HG2 ILE 22 22HG ILE 22 5.319 3.735 7.170 165 3HG2 ILE 22 23HG ILE 22 3.634 3.244 7.360 166 1HD1 ILE 22 11HD ILE 22 5.854 4.448 10.056 167 2HD1 ILE 22 12HD ILE 22 4.568 5.415 10.784 168 3HD1 ILE 22 13HD ILE 22 6.196 6.070 10.652 169 H GLY 23 H GLY 23 5.126 7.970 6.422 170 1HA GLY 23 1HA GLY 23 6.799 6.896 4.325 171 2HA GLY 23 2HA GLY 23 6.721 8.585 4.822 172 H MET 24 H MET 24 8.271 5.659 5.075 173 HA MET 24 HA MET 24 10.204 6.820 6.866 174 1HB MET 24 1HB MET 24 10.372 4.627 8.144 175 2HB MET 24 2HB MET 24 8.978 5.632 8.514 176 1HG MET 24 1HG MET 24 7.598 4.220 7.087 177 2HG MET 24 2HG MET 24 9.014 3.232 6.722 178 1HE MET 24 1HE MET 24 10.193 1.619 8.421 179 2HE MET 24 2HE MET 24 9.780 1.515 10.130 180 3HE MET 24 3HE MET 24 10.506 2.986 9.492 181 H GLY 25 H GLY 25 11.487 7.112 5.266 182 1HA GLY 25 1HA GLY 25 12.017 5.389 3.151 183 2HA GLY 25 2HA GLY 25 13.053 6.701 3.690 184 H VAL 26 H VAL 26 12.739 3.443 3.338 185 HA VAL 26 HA VAL 26 14.783 2.814 5.304 186 HB VAL 26 HB VAL 26 12.761 1.375 5.210 187 1HG1 VAL 26 11HG VAL 26 13.648 0.654 2.429 188 2HG1 VAL 26 12HG VAL 26 12.202 1.553 2.878 189 3HG1 VAL 26 13HG VAL 26 12.362 -0.141 3.338 190 1HG2 VAL 26 21HG VAL 26 13.880 -0.815 5.121 191 2HG2 VAL 26 22HG VAL 26 14.824 0.378 6.014 192 3HG2 VAL 26 23HG VAL 26 15.280 -0.055 4.367 193 H GLY 27 H GLY 27 16.768 1.895 4.630 194 1HA GLY 27 1HA GLY 27 17.452 2.691 1.916 195 2HA GLY 27 2HA GLY 27 18.570 2.475 3.240 196 H ALA 28 H ALA 28 19.866 1.250 2.025 197 HA ALA 28 HA ALA 28 18.951 -1.244 0.874 198 1HB ALA 28 1HB ALA 28 21.233 -1.381 0.018 199 2HB ALA 28 2HB ALA 28 21.660 0.049 0.959 200 3HB ALA 28 3HB ALA 28 20.494 0.178 -0.352 201 H ASP 29 H ASP 29 20.254 -0.131 3.798 202 HA ASP 29 HA ASP 29 22.028 -2.249 4.488 203 1HB ASP 29 1HB ASP 29 20.518 -0.660 6.554 204 2HB ASP 29 2HB ASP 29 22.147 -1.304 6.633 205 H ALA 30 H ALA 30 18.649 -1.702 4.873 206 HA ALA 30 HA ALA 30 18.259 -3.997 6.565 207 1HB ALA 30 1HB ALA 30 15.898 -3.383 6.462 208 2HB ALA 30 2HB ALA 30 16.278 -2.178 5.223 209 3HB ALA 30 3HB ALA 30 16.918 -1.995 6.850 210 H GLY 31 H GLY 31 18.798 -3.661 3.303 211 1HA GLY 31 1HA GLY 31 18.764 -5.397 1.732 212 2HA GLY 31 2HA GLY 31 17.693 -6.277 2.820 213 H LEU 32 H LEU 32 16.621 -3.166 2.369 214 HA LEU 32 HA LEU 32 14.489 -4.195 0.708 215 1HB LEU 32 1HB LEU 32 14.748 -1.687 2.318 216 2HB LEU 32 2HB LEU 32 13.489 -1.846 1.117 217 HG LEU 32 HG LEU 32 12.568 -2.338 3.261 218 1HD1 LEU 32 11HD LEU 32 11.659 -4.538 2.931 219 2HD1 LEU 32 12HD LEU 32 12.909 -4.898 1.752 220 3HD1 LEU 32 13HD LEU 32 11.718 -3.637 1.418 221 1HD2 LEU 32 21HD LEU 32 14.716 -4.441 3.565 222 2HD2 LEU 32 22HD LEU 32 13.325 -4.251 4.629 223 3HD2 LEU 32 23HD LEU 32 14.528 -2.968 4.518 224 H GLU 33 H GLU 33 16.488 -1.238 0.641 225 HA GLU 33 HA GLU 33 17.377 -0.045 -1.059 226 1HB GLU 33 1HB GLU 33 17.000 -2.581 -2.648 227 2HB GLU 33 2HB GLU 33 18.019 -1.229 -3.125 228 1HG GLU 33 1HG GLU 33 19.411 -1.643 -1.144 229 2HG GLU 33 2HG GLU 33 18.406 -3.037 -0.748 230 H LYS 34 H LYS 34 14.644 0.153 -0.646 231 HA LYS 34 HA LYS 34 13.754 1.210 -3.172 232 1HB LYS 34 1HB LYS 34 11.781 -0.161 -3.427 233 2HB LYS 34 2HB LYS 34 13.224 -1.161 -3.336 234 1HG LYS 34 1HG LYS 34 12.646 -1.582 -0.887 235 2HG LYS 34 2HG LYS 34 11.135 -0.770 -1.213 236 1HD LYS 34 1HD LYS 34 10.942 -3.244 -1.371 237 2HD LYS 34 2HD LYS 34 10.501 -2.406 -2.864 238 1HE LYS 34 1HE LYS 34 12.623 -2.912 -3.852 239 2HE LYS 34 2HE LYS 34 13.229 -3.566 -2.330 240 1HZ LYS 34 1HZ LYS 34 12.611 -5.193 -4.001 241 2HZ LYS 34 2HZ LYS 34 11.008 -4.719 -3.916 242 3HZ LYS 34 3HZ LYS 34 11.803 -5.392 -2.554 243 H LEU 35 H LEU 35 11.107 1.438 -2.649 244 HA LEU 35 HA LEU 35 10.752 3.737 -1.249 245 1HB LEU 35 1HB LEU 35 8.407 3.267 -1.244 246 2HB LEU 35 2HB LEU 35 9.118 2.722 -2.753 247 HG LEU 35 HG LEU 35 8.888 0.671 -0.634 248 1HD1 LEU 35 11HD LEU 35 6.793 1.835 -0.366 249 2HD1 LEU 35 12HD LEU 35 6.561 0.268 -1.120 250 3HD1 LEU 35 13HD LEU 35 6.491 1.736 -2.106 251 1HD2 LEU 35 21HD LEU 35 9.733 0.153 -2.887 252 2HD2 LEU 35 22HD LEU 35 8.175 0.647 -3.567 253 3HD2 LEU 35 23HD LEU 35 8.267 -0.740 -2.492 254 H GLY 36 H GLY 36 10.016 4.289 0.768 255 1HA GLY 36 1HA GLY 36 9.987 2.169 2.780 256 2HA GLY 36 2HA GLY 36 10.580 3.800 3.084 257 H ILE 37 H ILE 37 7.725 2.638 1.366 258 HA ILE 37 HA ILE 37 6.175 4.268 3.223 259 HB ILE 37 HB ILE 37 5.379 3.406 0.426 260 1HG1 ILE 37 11HG ILE 37 7.129 5.217 0.678 261 2HG1 ILE 37 12HG ILE 37 5.691 5.719 -0.246 262 1HG2 ILE 37 21HG ILE 37 3.452 3.488 1.910 263 2HG2 ILE 37 22HG ILE 37 3.389 4.879 0.819 264 3HG2 ILE 37 23HG ILE 37 3.925 5.078 2.487 265 1HD1 ILE 37 11HD ILE 37 4.934 6.826 1.862 266 2HD1 ILE 37 12HD ILE 37 6.450 7.460 1.223 267 3HD1 ILE 37 13HD ILE 37 6.467 6.335 2.586 268 H PHE 38 H PHE 38 5.291 3.149 4.653 269 HA PHE 38 HA PHE 38 4.521 0.392 4.033 270 1HB PHE 38 1HB PHE 38 5.284 1.679 6.630 271 2HB PHE 38 2HB PHE 38 4.677 0.031 6.489 272 HD1 PHE 38 HD1 PHE 38 7.482 2.253 5.811 273 HD2 PHE 38 HD2 PHE 38 6.084 -1.741 5.634 274 HE1 PHE 38 HE1 PHE 38 9.769 1.518 5.433 275 HE2 PHE 38 HE2 PHE 38 8.357 -2.544 5.245 276 HZ PHE 38 HZ PHE 38 10.246 -0.921 5.141 277 H VAL 39 H VAL 39 2.700 -0.334 5.443 278 HA VAL 39 HA VAL 39 0.580 1.595 5.201 279 HB VAL 39 HB VAL 39 0.495 -1.241 6.297 280 1HG1 VAL 39 11HG VAL 39 -1.442 0.112 6.914 281 2HG1 VAL 39 12HG VAL 39 -1.894 -1.139 5.753 282 3HG1 VAL 39 13HG VAL 39 -1.700 0.528 5.220 283 1HG2 VAL 39 21HG VAL 39 -0.017 -0.287 3.478 284 2HG2 VAL 39 22HG VAL 39 -0.241 -1.941 4.053 285 3HG2 VAL 39 23HG VAL 39 1.369 -1.225 4.006 286 H LYS 40 H LYS 40 -0.162 2.761 6.865 287 HA LYS 40 HA LYS 40 1.286 2.497 9.363 288 1HB LYS 40 1HB LYS 40 1.261 4.717 8.386 289 2HB LYS 40 2HB LYS 40 -0.476 4.701 8.310 290 1HG LYS 40 1HG LYS 40 0.143 6.182 10.064 291 2HG LYS 40 2HG LYS 40 -0.539 4.750 10.814 292 1HD LYS 40 1HD LYS 40 2.441 5.265 10.556 293 2HD LYS 40 2HD LYS 40 1.497 5.746 11.955 294 1HE LYS 40 1HE LYS 40 0.851 3.304 12.192 295 2HE LYS 40 2HE LYS 40 2.048 2.971 10.952 296 1HZ LYS 40 1HZ LYS 40 3.787 3.794 12.335 297 2HZ LYS 40 2HZ LYS 40 2.898 2.660 13.202 298 3HZ LYS 40 3HZ LYS 40 2.674 4.306 13.502 299 H THR 41 H THR 41 -2.023 2.717 8.154 300 HA THR 41 HA THR 41 -2.967 1.172 10.410 301 HB THR 41 HB THR 41 -4.459 3.564 9.607 302 HG1 THR 41 HG1 THR 41 -3.302 4.884 11.082 303 1HG2 THR 41 21HG THR 41 -5.580 2.002 11.051 304 2HG2 THR 41 22HG THR 41 -5.294 3.488 11.954 305 3HG2 THR 41 23HG THR 41 -4.263 2.080 12.229 306 H VAL 42 H VAL 42 -5.247 0.553 9.887 307 HA VAL 42 HA VAL 42 -5.959 0.809 7.105 308 HB VAL 42 HB VAL 42 -6.018 -1.803 8.693 309 1HG1 VAL 42 11HG VAL 42 -6.756 -2.830 6.604 310 2HG1 VAL 42 12HG VAL 42 -6.691 -1.231 5.841 311 3HG1 VAL 42 13HG VAL 42 -7.850 -1.536 7.133 312 1HG2 VAL 42 21HG VAL 42 -4.364 -2.662 7.101 313 2HG2 VAL 42 22HG VAL 42 -3.732 -1.284 8.008 314 3HG2 VAL 42 23HG VAL 42 -4.274 -1.071 6.345 315 H THR 43 H THR 43 -8.317 0.839 6.983 316 HA THR 43 HA THR 43 -9.710 1.628 9.253 317 HB THR 43 HB THR 43 -10.566 2.032 6.922 318 HG1 THR 43 HG1 THR 43 -12.319 2.258 8.013 319 1HG2 THR 43 21HG THR 43 -9.992 -0.165 6.023 320 2HG2 THR 43 22HG THR 43 -11.715 0.190 5.770 321 3HG2 THR 43 23HG THR 43 -11.193 -0.878 7.094 322 H GLU 44 H GLU 44 -11.020 0.540 10.605 323 HA GLU 44 HA GLU 44 -10.209 -2.142 11.168 324 1HB GLU 44 1HB GLU 44 -11.393 -1.769 13.230 325 2HB GLU 44 2HB GLU 44 -10.307 -0.421 12.900 326 1HG GLU 44 1HG GLU 44 -12.335 0.653 11.861 327 2HG GLU 44 2HG GLU 44 -13.258 -0.587 12.699 328 H GLY 45 H GLY 45 -12.882 -0.464 9.824 329 1HA GLY 45 1HA GLY 45 -14.278 -2.974 9.496 330 2HA GLY 45 2HA GLY 45 -15.186 -1.627 10.240 331 H GLY 46 H GLY 46 -13.263 -2.628 7.533 332 1HA GLY 46 1HA GLY 46 -15.236 -1.680 5.760 333 2HA GLY 46 2HA GLY 46 -13.593 -1.022 5.593 334 H ALA 47 H ALA 47 -14.466 -2.513 3.685 335 HA ALA 47 HA ALA 47 -14.145 -5.263 3.870 336 1HB ALA 47 1HB ALA 47 -15.197 -4.083 1.958 337 2HB ALA 47 2HB ALA 47 -14.123 -5.403 1.507 338 3HB ALA 47 3HB ALA 47 -13.573 -3.740 1.351 339 H ALA 48 H ALA 48 -11.641 -3.218 4.420 340 HA ALA 48 HA ALA 48 -9.546 -4.511 2.889 341 1HB ALA 48 1HB ALA 48 -9.373 -2.119 3.397 342 2HB ALA 48 2HB ALA 48 -8.007 -3.014 4.068 343 3HB ALA 48 3HB ALA 48 -9.321 -2.488 5.121 344 H GLN 49 H GLN 49 -10.067 -4.107 6.437 345 HA GLN 49 HA GLN 49 -8.477 -6.389 6.876 346 1HB GLN 49 1HB GLN 49 -10.201 -4.758 8.703 347 2HB GLN 49 2HB GLN 49 -9.300 -6.165 9.282 348 1HG GLN 49 1HG GLN 49 -7.251 -5.009 8.267 349 2HG GLN 49 2HG GLN 49 -8.287 -3.594 8.143 350 1HE2 GLN 49 21HE GLN 49 -8.882 -2.552 9.928 351 2HE2 GLN 49 22HE GLN 49 -8.198 -2.806 11.492 352 H ARG 50 H ARG 50 -11.714 -5.997 6.013 353 HA ARG 50 HA ARG 50 -12.579 -8.508 7.007 354 1HB ARG 50 1HB ARG 50 -13.624 -6.724 4.858 355 2HB ARG 50 2HB ARG 50 -14.352 -8.288 5.170 356 1HG ARG 50 1HG ARG 50 -14.061 -6.087 7.174 357 2HG ARG 50 2HG ARG 50 -15.554 -6.445 6.281 358 1HD ARG 50 1HD ARG 50 -14.115 -8.184 8.295 359 2HD ARG 50 2HD ARG 50 -15.690 -7.426 8.484 360 HE ARG 50 HE ARG 50 -15.844 -9.040 6.249 361 1HH1 ARG 50 11HH ARG 50 -15.415 -9.455 9.736 362 2HH1 ARG 50 12HH ARG 50 -16.008 -11.043 9.770 363 1HH2 ARG 50 21HH ARG 50 -16.576 -11.235 6.268 364 2HH2 ARG 50 22HH ARG 50 -16.646 -12.108 7.729 365 H ASP 51 H ASP 51 -11.041 -7.345 4.049 366 HA ASP 51 HA ASP 51 -11.033 -9.740 2.606 367 1HB ASP 51 1HB ASP 51 -10.268 -7.754 1.504 368 2HB ASP 51 2HB ASP 51 -9.029 -7.483 2.722 369 H GLY 52 H GLY 52 -8.413 -8.493 4.646 370 1HA GLY 52 1HA GLY 52 -7.405 -9.706 6.408 371 2HA GLY 52 2HA GLY 52 -8.146 -11.166 5.782 372 H ARG 53 H ARG 53 -6.871 -10.104 3.035 373 HA ARG 53 HA ARG 53 -4.450 -11.695 3.318 374 1HB ARG 53 1HB ARG 53 -5.891 -11.646 1.272 375 2HB ARG 53 2HB ARG 53 -5.354 -9.992 1.026 376 1HG ARG 53 1HG ARG 53 -3.000 -10.889 1.042 377 2HG ARG 53 2HG ARG 53 -3.718 -12.501 0.947 378 1HD ARG 53 1HD ARG 53 -5.021 -11.706 -0.984 379 2HD ARG 53 2HD ARG 53 -4.060 -10.214 -0.875 380 HE ARG 53 HE ARG 53 -2.341 -12.441 -1.022 381 1HH1 ARG 53 11HH ARG 53 -4.546 -10.661 -3.113 382 2HH1 ARG 53 12HH ARG 53 -3.641 -10.876 -4.529 383 1HH2 ARG 53 21HH ARG 53 -1.138 -12.883 -2.999 384 2HH2 ARG 53 22HH ARG 53 -1.689 -12.240 -4.464 385 H ILE 54 H ILE 54 -5.457 -8.432 2.858 386 HA ILE 54 HA ILE 54 -2.739 -7.460 2.948 387 HB ILE 54 HB ILE 54 -4.612 -6.465 1.482 388 1HG1 ILE 54 11HG ILE 54 -3.009 -4.681 3.326 389 2HG1 ILE 54 12HG ILE 54 -2.531 -5.387 1.777 390 1HG2 ILE 54 21HG ILE 54 -6.413 -6.391 3.101 391 2HG2 ILE 54 22HG ILE 54 -6.044 -4.739 2.583 392 3HG2 ILE 54 23HG ILE 54 -5.459 -5.341 4.142 393 1HD1 ILE 54 11HD ILE 54 -4.160 -4.023 0.610 394 2HD1 ILE 54 12HD ILE 54 -3.068 -3.014 1.551 395 3HD1 ILE 54 13HD ILE 54 -4.704 -3.327 2.138 396 H GLN 55 H GLN 55 -1.876 -6.298 4.744 397 HA GLN 55 HA GLN 55 -3.612 -6.034 7.014 398 1HB GLN 55 1HB GLN 55 -0.937 -7.459 7.131 399 2HB GLN 55 2HB GLN 55 -1.791 -6.891 8.551 400 1HG GLN 55 1HG GLN 55 -3.658 -8.391 7.999 401 2HG GLN 55 2HG GLN 55 -2.763 -8.974 6.601 402 1HE2 GLN 55 21HE GLN 55 -3.007 -8.985 10.055 403 2HE2 GLN 55 22HE GLN 55 -1.927 -10.300 10.320 404 H VAL 56 H VAL 56 -2.237 -4.926 8.830 405 HA VAL 56 HA VAL 56 -1.502 -2.377 7.732 406 HB VAL 56 HB VAL 56 -2.889 -2.829 9.794 407 1HG1 VAL 56 11HG VAL 56 -1.612 -4.487 10.872 408 2HG1 VAL 56 12HG VAL 56 -1.770 -3.086 11.933 409 3HG1 VAL 56 13HG VAL 56 -0.255 -3.375 11.077 410 1HG2 VAL 56 21HG VAL 56 -2.061 -0.869 11.046 411 2HG2 VAL 56 22HG VAL 56 -2.145 -0.574 9.316 412 3HG2 VAL 56 23HG VAL 56 -0.591 -0.901 10.079 413 H ASN 57 H ASN 57 0.285 -5.121 8.124 414 HA ASN 57 HA ASN 57 2.658 -3.674 9.101 415 1HB ASN 57 1HB ASN 57 3.590 -5.770 9.830 416 2HB ASN 57 2HB ASN 57 1.906 -5.681 10.357 417 1HD2 ASN 57 21HD ASN 57 0.448 -7.167 9.602 418 2HD2 ASN 57 22HD ASN 57 0.887 -8.495 8.593 419 H ASP 58 H ASP 58 1.302 -4.226 6.360 420 HA ASP 58 HA ASP 58 3.543 -5.334 4.875 421 1HB ASP 58 1HB ASP 58 0.738 -4.556 4.022 422 2HB ASP 58 2HB ASP 58 1.947 -5.249 2.951 423 H GLN 59 H GLN 59 3.439 -4.117 2.500 424 HA GLN 59 HA GLN 59 4.009 -1.289 2.995 425 1HB GLN 59 1HB GLN 59 6.162 -2.314 3.072 426 2HB GLN 59 2HB GLN 59 5.775 -3.350 1.704 427 1HG GLN 59 1HG GLN 59 5.908 -1.534 0.184 428 2HG GLN 59 2HG GLN 59 6.009 -0.364 1.493 429 1HE2 GLN 59 21HE GLN 59 7.923 -0.057 2.509 430 2HE2 GLN 59 22HE GLN 59 9.428 -0.656 1.890 431 H ILE 60 H ILE 60 3.111 0.036 1.490 432 HA ILE 60 HA ILE 60 1.584 -1.107 -0.673 433 HB ILE 60 HB ILE 60 2.188 1.817 -0.129 434 1HG1 ILE 60 11HG ILE 60 0.967 0.873 1.801 435 2HG1 ILE 60 12HG ILE 60 -0.047 1.957 0.845 436 1HG2 ILE 60 21HG ILE 60 0.368 2.301 -1.625 437 2HG2 ILE 60 22HG ILE 60 -0.053 0.597 -1.678 438 3HG2 ILE 60 23HG ILE 60 1.443 1.127 -2.424 439 1HD1 ILE 60 11HD ILE 60 -0.135 -1.044 0.778 440 2HD1 ILE 60 12HD ILE 60 -1.139 0.038 -0.184 441 3HD1 ILE 60 13HD ILE 60 -1.304 0.015 1.573 442 H VAL 61 H VAL 61 2.772 -1.793 -2.416 443 HA VAL 61 HA VAL 61 5.264 -0.428 -3.075 444 HB VAL 61 HB VAL 61 3.974 -2.937 -4.190 445 1HG1 VAL 61 11HG VAL 61 6.039 -3.443 -5.271 446 2HG1 VAL 61 12HG VAL 61 6.745 -1.907 -4.736 447 3HG1 VAL 61 13HG VAL 61 5.387 -1.921 -5.881 448 1HG2 VAL 61 21HG VAL 61 4.684 -3.180 -1.903 449 2HG2 VAL 61 22HG VAL 61 6.303 -2.602 -2.312 450 3HG2 VAL 61 23HG VAL 61 5.708 -4.132 -2.970 451 H GLU 62 H GLU 62 2.261 -1.320 -4.651 452 HA GLU 62 HA GLU 62 2.328 1.087 -6.242 453 1HB GLU 62 1HB GLU 62 3.435 -0.296 -7.778 454 2HB GLU 62 2HB GLU 62 2.439 -1.691 -7.430 455 1HG GLU 62 1HG GLU 62 0.552 -0.638 -8.489 456 2HG GLU 62 2HG GLU 62 1.471 0.836 -8.733 457 H VAL 63 H VAL 63 0.313 1.953 -6.189 458 HA VAL 63 HA VAL 63 -1.863 0.061 -5.853 459 HB VAL 63 HB VAL 63 -1.353 2.685 -4.490 460 1HG1 VAL 63 11HG VAL 63 -3.750 2.954 -4.024 461 2HG1 VAL 63 12HG VAL 63 -4.117 1.597 -5.109 462 3HG1 VAL 63 13HG VAL 63 -3.412 3.085 -5.751 463 1HG2 VAL 63 21HG VAL 63 -2.752 0.160 -3.717 464 2HG2 VAL 63 22HG VAL 63 -2.318 1.492 -2.650 465 3HG2 VAL 63 23HG VAL 63 -1.054 0.513 -3.426 466 H ASP 64 H ASP 64 -3.227 -0.059 -7.350 467 HA ASP 64 HA ASP 64 -4.588 0.374 -9.105 468 1HB ASP 64 1HB ASP 64 -5.247 2.306 -7.612 469 2HB ASP 64 2HB ASP 64 -4.101 3.307 -8.479 470 H GLY 65 H GLY 65 -1.564 0.460 -9.274 471 1HA GLY 65 1HA GLY 65 -0.158 0.234 -11.087 472 2HA GLY 65 2HA GLY 65 -1.432 0.858 -12.131 473 H ILE 66 H ILE 66 -0.732 2.796 -9.359 474 HA ILE 66 HA ILE 66 0.218 4.905 -11.023 475 HB ILE 66 HB ILE 66 -1.168 5.003 -8.706 476 1HG1 ILE 66 11HG ILE 66 0.973 7.032 -9.397 477 2HG1 ILE 66 12HG ILE 66 -0.577 6.895 -10.223 478 1HG2 ILE 66 21HG ILE 66 0.291 5.674 -6.844 479 2HG2 ILE 66 22HG ILE 66 1.689 5.169 -7.801 480 3HG2 ILE 66 23HG ILE 66 0.484 3.982 -7.312 481 1HD1 ILE 66 11HD ILE 66 -0.650 8.692 -8.622 482 2HD1 ILE 66 12HD ILE 66 -0.117 7.592 -7.352 483 3HD1 ILE 66 13HD ILE 66 -1.704 7.367 -8.098 484 H SER 67 H SER 67 1.741 2.386 -9.446 485 HA SER 67 HA SER 67 3.754 1.863 -8.600 486 1HB SER 67 1HB SER 67 5.695 2.394 -10.202 487 2HB SER 67 2HB SER 67 4.320 1.504 -10.858 488 HG SER 67 HG SER 67 4.166 4.259 -11.027 489 H LEU 68 H LEU 68 3.794 2.875 -6.642 490 HA LEU 68 HA LEU 68 4.967 5.549 -6.560 491 1HB LEU 68 1HB LEU 68 4.163 5.646 -4.278 492 2HB LEU 68 2HB LEU 68 2.867 5.285 -5.398 493 HG LEU 68 HG LEU 68 4.042 2.877 -4.324 494 1HD1 LEU 68 11HD LEU 68 2.847 4.860 -2.395 495 2HD1 LEU 68 12HD LEU 68 4.528 4.335 -2.476 496 3HD1 LEU 68 13HD LEU 68 3.270 3.171 -2.041 497 1HD2 LEU 68 21HD LEU 68 1.719 2.384 -3.890 498 2HD2 LEU 68 22HD LEU 68 1.928 3.069 -5.502 499 3HD2 LEU 68 23HD LEU 68 1.284 4.069 -4.194 500 H VAL 69 H VAL 69 6.177 2.817 -6.806 501 HA VAL 69 HA VAL 69 7.943 2.288 -4.722 502 HB VAL 69 HB VAL 69 8.613 2.038 -7.675 503 1HG1 VAL 69 11HG VAL 69 10.096 0.211 -6.987 504 2HG1 VAL 69 12HG VAL 69 9.727 0.556 -5.297 505 3HG1 VAL 69 13HG VAL 69 10.563 1.757 -6.280 506 1HG2 VAL 69 21HG VAL 69 6.503 0.924 -7.220 507 2HG2 VAL 69 22HG VAL 69 7.229 0.063 -5.865 508 3HG2 VAL 69 23HG VAL 69 7.770 -0.270 -7.511 509 H GLY 70 H GLY 70 8.676 4.129 -3.802 510 1HA GLY 70 1HA GLY 70 10.762 5.292 -3.471 511 2HA GLY 70 2HA GLY 70 10.870 5.482 -5.217 512 H VAL 71 H VAL 71 8.300 6.187 -2.815 513 HA VAL 71 HA VAL 71 8.436 8.964 -3.691 514 HB VAL 71 HB VAL 71 6.027 9.235 -3.622 515 1HG1 VAL 71 11HG VAL 71 5.354 7.925 -5.559 516 2HG1 VAL 71 12HG VAL 71 6.793 6.922 -5.373 517 3HG1 VAL 71 13HG VAL 71 6.958 8.636 -5.752 518 1HG2 VAL 71 21HG VAL 71 4.494 7.363 -3.316 519 2HG2 VAL 71 22HG VAL 71 5.500 7.600 -1.891 520 3HG2 VAL 71 23HG VAL 71 5.858 6.279 -3.006 521 H THR 72 H THR 72 6.896 10.277 -2.139 522 HA THR 72 HA THR 72 7.798 9.764 0.594 523 HB THR 72 HB THR 72 6.898 12.140 0.863 524 HG1 THR 72 HG1 THR 72 7.153 12.352 -1.914 525 1HG2 THR 72 21HG THR 72 8.904 13.139 -0.163 526 2HG2 THR 72 22HG THR 72 9.177 11.640 -1.067 527 3HG2 THR 72 23HG THR 72 9.267 11.642 0.699 528 H GLN 73 H GLN 73 6.194 10.627 2.225 529 HA GLN 73 HA GLN 73 3.949 8.932 2.014 530 1HB GLN 73 1HB GLN 73 3.561 9.272 4.260 531 2HB GLN 73 2HB GLN 73 5.189 9.911 4.189 532 1HG GLN 73 1HG GLN 73 2.705 11.593 4.008 533 2HG GLN 73 2HG GLN 73 3.568 11.280 5.508 534 1HE2 GLN 73 21HE GLN 73 6.183 11.411 4.307 535 2HE2 GLN 73 22HE GLN 73 6.424 13.065 3.918 536 H ASN 74 H ASN 74 4.427 12.255 1.207 537 HA ASN 74 HA ASN 74 1.635 12.886 1.184 538 1HB ASN 74 1HB ASN 74 2.214 14.976 0.015 539 2HB ASN 74 2HB ASN 74 3.250 14.736 1.410 540 1HD2 ASN 74 21HD ASN 74 5.418 14.608 1.105 541 2HD2 ASN 74 22HD ASN 74 6.158 14.752 -0.444 542 H PHE 75 H PHE 75 3.816 11.533 -1.149 543 HA PHE 75 HA PHE 75 1.980 11.807 -3.301 544 1HB PHE 75 1HB PHE 75 4.457 11.410 -3.621 545 2HB PHE 75 2HB PHE 75 4.199 9.786 -3.003 546 HD1 PHE 75 HD1 PHE 75 3.982 11.929 -5.896 547 HD2 PHE 75 HD2 PHE 75 2.759 8.177 -4.300 548 HE1 PHE 75 HE1 PHE 75 3.431 11.134 -8.163 549 HE2 PHE 75 HE2 PHE 75 2.209 7.384 -6.529 550 HZ PHE 75 HZ PHE 75 2.546 8.862 -8.485 551 H ALA 76 H ALA 76 2.959 9.225 -1.100 552 HA ALA 76 HA ALA 76 1.203 7.259 -2.036 553 1HB ALA 76 1HB ALA 76 1.672 6.077 0.021 554 2HB ALA 76 2HB ALA 76 2.360 7.549 0.727 555 3HB ALA 76 3HB ALA 76 3.140 6.779 -0.659 556 H ALA 77 H ALA 77 0.764 9.651 0.568 557 HA ALA 77 HA ALA 77 -1.749 8.774 1.415 558 1HB ALA 77 1HB ALA 77 -2.068 11.029 2.317 559 2HB ALA 77 2HB ALA 77 -0.715 11.615 1.350 560 3HB ALA 77 3HB ALA 77 -0.434 10.451 2.643 561 H THR 78 H THR 78 -0.792 10.705 -1.313 562 HA THR 78 HA THR 78 -3.415 11.534 -2.006 563 HB THR 78 HB THR 78 -0.852 11.425 -3.564 564 HG1 THR 78 HG1 THR 78 -0.603 12.919 -2.064 565 1HG2 THR 78 21HG THR 78 -3.433 12.829 -4.290 566 2HG2 THR 78 22HG THR 78 -2.777 11.402 -5.093 567 3HG2 THR 78 23HG THR 78 -1.916 12.939 -5.191 568 H VAL 79 H VAL 79 -1.265 8.918 -3.289 569 HA VAL 79 HA VAL 79 -3.193 8.054 -5.058 570 HB VAL 79 HB VAL 79 -0.998 7.341 -5.555 571 1HG1 VAL 79 11HG VAL 79 -0.200 7.445 -3.481 572 2HG1 VAL 79 12HG VAL 79 0.220 5.832 -4.171 573 3HG1 VAL 79 13HG VAL 79 -1.113 6.044 -2.966 574 1HG2 VAL 79 21HG VAL 79 -1.244 4.926 -5.809 575 2HG2 VAL 79 22HG VAL 79 -2.710 5.814 -6.258 576 3HG2 VAL 79 23HG VAL 79 -2.621 4.980 -4.707 577 H LEU 80 H LEU 80 -2.567 6.913 -1.781 578 HA LEU 80 HA LEU 80 -4.649 4.940 -1.820 579 1HB LEU 80 1HB LEU 80 -3.123 6.227 0.443 580 2HB LEU 80 2HB LEU 80 -4.432 5.113 0.742 581 HG LEU 80 HG LEU 80 -2.388 3.919 1.007 582 1HD1 LEU 80 11HD LEU 80 -2.566 2.133 -0.559 583 2HD1 LEU 80 12HD LEU 80 -3.457 3.163 -1.672 584 3HD1 LEU 80 13HD LEU 80 -4.175 2.719 -0.129 585 1HD2 LEU 80 21HD LEU 80 -0.653 3.722 -0.608 586 2HD2 LEU 80 22HD LEU 80 -0.952 5.452 -0.355 587 3HD2 LEU 80 23HD LEU 80 -1.595 4.624 -1.781 588 H ARG 81 H ARG 81 -4.813 8.258 -1.773 589 HA ARG 81 HA ARG 81 -7.407 8.324 -0.434 590 1HB ARG 81 1HB ARG 81 -5.936 10.093 0.266 591 2HB ARG 81 2HB ARG 81 -5.539 10.502 -1.386 592 1HG ARG 81 1HG ARG 81 -8.358 10.846 -0.477 593 2HG ARG 81 2HG ARG 81 -7.144 11.993 0.082 594 1HD ARG 81 1HD ARG 81 -6.544 12.514 -2.230 595 2HD ARG 81 2HD ARG 81 -7.680 11.316 -2.817 596 HE ARG 81 HE ARG 81 -9.198 12.954 -1.249 597 1HH1 ARG 81 11HH ARG 81 -7.166 13.592 -4.121 598 2HH1 ARG 81 12HH ARG 81 -8.153 14.863 -4.655 599 1HH2 ARG 81 21HH ARG 81 -10.470 14.706 -2.028 600 2HH2 ARG 81 22HH ARG 81 -10.049 15.518 -3.472 601 H ASN 82 H ASN 82 -6.002 8.404 -3.571 602 HA ASN 82 HA ASN 82 -8.354 9.484 -4.861 603 1HB ASN 82 1HB ASN 82 -5.641 8.744 -5.758 604 2HB ASN 82 2HB ASN 82 -6.921 8.702 -6.967 605 1HD2 ASN 82 21HD ASN 82 -5.204 10.689 -4.705 606 2HD2 ASN 82 22HD ASN 82 -5.648 12.203 -5.427 607 H THR 83 H THR 83 -7.664 6.521 -3.682 608 HA THR 83 HA THR 83 -8.427 4.866 -5.838 609 HB THR 83 HB THR 83 -8.507 3.198 -3.883 610 HG1 THR 83 HG1 THR 83 -7.839 3.973 -1.975 611 1HG2 THR 83 21HG THR 83 -5.974 4.742 -4.472 612 2HG2 THR 83 22HG THR 83 -6.609 3.424 -5.458 613 3HG2 THR 83 23HG THR 83 -6.048 3.110 -3.818 614 H LYS 84 H LYS 84 -10.210 3.416 -5.755 615 HA LYS 84 HA LYS 84 -12.632 4.473 -4.467 616 1HB LYS 84 1HB LYS 84 -12.219 3.142 -7.145 617 2HB LYS 84 2HB LYS 84 -13.802 3.329 -6.415 618 1HG LYS 84 1HG LYS 84 -11.956 5.585 -7.151 619 2HG LYS 84 2HG LYS 84 -13.327 5.004 -8.105 620 1HD LYS 84 1HD LYS 84 -14.800 5.473 -6.168 621 2HD LYS 84 2HD LYS 84 -13.427 6.190 -5.343 622 1HE LYS 84 1HE LYS 84 -14.799 7.919 -6.430 623 2HE LYS 84 2HE LYS 84 -13.171 7.857 -7.097 624 1HZ LYS 84 1HZ LYS 84 -14.035 6.609 -8.992 625 2HZ LYS 84 2HZ LYS 84 -14.862 8.058 -8.828 626 3HZ LYS 84 3HZ LYS 84 -15.578 6.616 -8.316 627 H GLY 85 H GLY 85 -14.255 2.325 -4.981 628 1HA GLY 85 1HA GLY 85 -13.728 0.383 -3.136 629 2HA GLY 85 2HA GLY 85 -14.762 0.150 -4.535 630 H ASN 86 H ASN 86 -13.289 -0.144 -6.652 631 HA ASN 86 HA ASN 86 -11.791 -2.553 -6.042 632 1HB ASN 86 1HB ASN 86 -12.441 -1.247 -8.688 633 2HB ASN 86 2HB ASN 86 -11.431 -2.675 -8.554 634 1HD2 ASN 86 21HD ASN 86 -14.399 -1.993 -6.721 635 2HD2 ASN 86 22HD ASN 86 -15.301 -3.291 -7.414 636 H VAL 87 H VAL 87 -9.764 -2.529 -5.508 637 HA VAL 87 HA VAL 87 -7.986 -0.464 -6.670 638 HB VAL 87 HB VAL 87 -7.527 -1.552 -3.960 639 1HG1 VAL 87 11HG VAL 87 -6.354 0.557 -3.610 640 2HG1 VAL 87 12HG VAL 87 -6.736 1.020 -5.270 641 3HG1 VAL 87 13HG VAL 87 -5.734 -0.403 -4.953 642 1HG2 VAL 87 21HG VAL 87 -9.274 0.842 -4.479 643 2HG2 VAL 87 22HG VAL 87 -8.678 0.272 -2.900 644 3HG2 VAL 87 23HG VAL 87 -9.760 -0.737 -3.852 645 H ARG 88 H ARG 88 -6.163 -1.323 -7.451 646 HA ARG 88 HA ARG 88 -5.429 -4.063 -6.732 647 1HB ARG 88 1HB ARG 88 -4.503 -2.199 -8.891 648 2HB ARG 88 2HB ARG 88 -3.745 -3.749 -8.555 649 1HG ARG 88 1HG ARG 88 -5.711 -4.928 -9.123 650 2HG ARG 88 2HG ARG 88 -6.651 -3.436 -9.226 651 1HD ARG 88 1HD ARG 88 -6.032 -4.265 -11.418 652 2HD ARG 88 2HD ARG 88 -5.326 -2.682 -11.032 653 HE ARG 88 HE ARG 88 -3.659 -4.996 -10.536 654 1HH1 ARG 88 11HH ARG 88 -4.469 -2.408 -12.846 655 2HH1 ARG 88 12HH ARG 88 -2.981 -2.445 -13.639 656 1HH2 ARG 88 21HH ARG 88 -1.546 -5.021 -11.672 657 2HH2 ARG 88 22HH ARG 88 -1.303 -3.958 -12.964 658 H PHE 89 H PHE 89 -4.515 -3.949 -4.797 659 HA PHE 89 HA PHE 89 -2.368 -2.045 -4.332 660 1HB PHE 89 1HB PHE 89 -3.431 -4.282 -2.582 661 2HB PHE 89 2HB PHE 89 -2.196 -3.130 -2.124 662 HD1 PHE 89 HD1 PHE 89 -2.760 -0.871 -1.579 663 HD2 PHE 89 HD2 PHE 89 -5.723 -3.693 -2.664 664 HE1 PHE 89 HE1 PHE 89 -4.484 0.629 -0.675 665 HE2 PHE 89 HE2 PHE 89 -7.466 -2.199 -1.773 666 HZ PHE 89 HZ PHE 89 -6.829 -0.030 -0.763 667 H VAL 90 H VAL 90 -0.609 -2.640 -5.472 668 HA VAL 90 HA VAL 90 0.016 -5.461 -5.550 669 HB VAL 90 HB VAL 90 1.396 -3.143 -6.927 670 1HG1 VAL 90 11HG VAL 90 1.666 -6.123 -7.359 671 2HG1 VAL 90 12HG VAL 90 2.861 -5.073 -6.603 672 3HG1 VAL 90 13HG VAL 90 2.475 -4.878 -8.314 673 1HG2 VAL 90 21HG VAL 90 -0.879 -3.401 -7.761 674 2HG2 VAL 90 22HG VAL 90 -0.586 -5.112 -8.074 675 3HG2 VAL 90 23HG VAL 90 0.287 -3.886 -8.990 676 H ILE 91 H ILE 91 0.488 -5.631 -3.495 677 HA ILE 91 HA ILE 91 2.634 -4.088 -2.313 678 HB ILE 91 HB ILE 91 0.378 -5.785 -1.320 679 1HG1 ILE 91 11HG ILE 91 1.151 -2.963 -0.752 680 2HG1 ILE 91 12HG ILE 91 -0.035 -3.444 -1.956 681 1HG2 ILE 91 21HG ILE 91 1.072 -5.449 0.993 682 2HG2 ILE 91 22HG ILE 91 2.579 -4.718 0.444 683 3HG2 ILE 91 23HG ILE 91 2.248 -6.415 0.101 684 1HD1 ILE 91 11HD ILE 91 -1.085 -2.695 0.013 685 2HD1 ILE 91 12HD ILE 91 -0.158 -3.864 0.985 686 3HD1 ILE 91 13HD ILE 91 -1.343 -4.434 -0.230 687 H GLY 92 H GLY 92 4.236 -5.225 -1.271 688 1HA GLY 92 1HA GLY 92 4.436 -7.978 -2.111 689 2HA GLY 92 2HA GLY 92 5.839 -6.886 -2.205 690 H ARG 93 H ARG 93 5.757 -9.217 -0.619 691 HA ARG 93 HA ARG 93 6.045 -7.901 1.975 692 1HB ARG 93 1HB ARG 93 3.801 -8.920 1.811 693 2HB ARG 93 2HB ARG 93 4.592 -10.488 1.688 694 1HG ARG 93 1HG ARG 93 5.739 -9.960 3.841 695 2HG ARG 93 2HG ARG 93 4.652 -8.573 3.985 696 1HD ARG 93 1HD ARG 93 2.764 -10.037 3.795 697 2HD ARG 93 2HD ARG 93 3.885 -11.406 3.641 698 HE ARG 93 HE ARG 93 3.177 -9.959 6.030 699 1HH1 ARG 93 11HH ARG 93 5.526 -12.215 4.541 700 2HH1 ARG 93 12HH ARG 93 6.073 -12.847 6.007 701 1HH2 ARG 93 21HH ARG 93 3.901 -10.903 8.060 702 2HH2 ARG 93 22HH ARG 93 5.105 -12.102 8.067 703 H GLU 94 H GLU 94 7.695 -8.556 3.137 704 HA GLU 94 HA GLU 94 8.988 -11.122 2.584 705 1HB GLU 94 1HB GLU 94 10.353 -8.512 3.298 706 2HB GLU 94 2HB GLU 94 11.147 -10.074 3.305 707 1HG GLU 94 1HG GLU 94 10.610 -10.218 0.850 708 2HG GLU 94 2HG GLU 94 10.099 -8.529 0.961 Start of MODEL 13 1 1H GLY 1 1H GLY 1 12.904 -15.105 -3.783 2 2H GLY 1 2H GLY 1 12.405 -15.272 -5.390 3 3H GLY 1 3H GLY 1 11.475 -14.377 -4.288 4 1HA GLY 1 1HA GLY 1 14.193 -13.651 -5.167 5 2HA GLY 1 2HA GLY 1 12.701 -12.907 -5.736 6 H HIS 2 H HIS 2 14.384 -11.185 -4.687 7 HA HIS 2 HA HIS 2 14.232 -10.888 -1.867 8 1HB HIS 2 1HB HIS 2 14.889 -8.859 -4.026 9 2HB HIS 2 2HB HIS 2 15.067 -8.569 -2.304 10 HD1 HIS 2 HD1 HIS 2 16.725 -10.265 -5.211 11 HD2 HIS 2 HD2 HIS 2 17.261 -9.823 -1.106 12 HE1 HIS 2 HE1 HIS 2 19.063 -11.030 -4.727 13 H MET 3 H MET 3 12.250 -10.752 -1.001 14 HA MET 3 HA MET 3 10.285 -9.929 -0.339 15 1HB MET 3 1HB MET 3 11.371 -7.769 -0.426 16 2HB MET 3 2HB MET 3 10.991 -7.621 -2.127 17 1HG MET 3 1HG MET 3 8.616 -7.510 -1.605 18 2HG MET 3 2HG MET 3 8.979 -7.663 0.123 19 1HE MET 3 1HE MET 3 7.750 -5.438 0.790 20 2HE MET 3 2HE MET 3 7.216 -5.274 -0.881 21 3HE MET 3 3HE MET 3 7.964 -3.906 -0.057 22 H GLU 4 H GLU 4 8.479 -10.866 -0.880 23 HA GLU 4 HA GLU 4 7.989 -11.454 -3.679 24 1HB GLU 4 1HB GLU 4 7.637 -13.216 -1.950 25 2HB GLU 4 2HB GLU 4 6.408 -12.190 -1.227 26 1HG GLU 4 1HG GLU 4 5.055 -12.369 -3.245 27 2HG GLU 4 2HG GLU 4 6.295 -13.375 -3.984 28 H LEU 5 H LEU 5 7.163 -9.786 -4.789 29 HA LEU 5 HA LEU 5 5.179 -8.103 -3.561 30 1HB LEU 5 1HB LEU 5 6.133 -8.111 -6.435 31 2HB LEU 5 2HB LEU 5 5.145 -6.887 -5.673 32 HG LEU 5 HG LEU 5 7.200 -5.898 -5.786 33 1HD1 LEU 5 11HD LEU 5 6.301 -5.679 -3.588 34 2HD1 LEU 5 12HD LEU 5 8.072 -5.654 -3.579 35 3HD1 LEU 5 13HD LEU 5 7.206 -7.116 -3.094 36 1HD2 LEU 5 21HD LEU 5 9.341 -6.913 -5.243 37 2HD2 LEU 5 22HD LEU 5 8.505 -7.822 -6.507 38 3HD2 LEU 5 23HD LEU 5 8.528 -8.426 -4.852 39 H PHE 6 H PHE 6 3.041 -8.332 -3.805 40 HA PHE 6 HA PHE 6 2.090 -10.093 -5.869 41 1HB PHE 6 1HB PHE 6 0.449 -10.955 -4.105 42 2HB PHE 6 2HB PHE 6 2.039 -11.706 -4.177 43 HD1 PHE 6 HD1 PHE 6 -0.250 -9.472 -2.459 44 HD2 PHE 6 HD2 PHE 6 3.470 -11.455 -2.246 45 HE1 PHE 6 HE1 PHE 6 -0.117 -8.937 -0.037 46 HE2 PHE 6 HE2 PHE 6 3.641 -10.950 0.137 47 HZ PHE 6 HZ PHE 6 1.842 -9.677 1.261 48 HA PRO 7 HA PRO 7 -1.018 -6.979 -6.089 49 1HB PRO 7 1HB PRO 7 -2.613 -8.111 -7.821 50 2HB PRO 7 2HB PRO 7 -1.025 -7.512 -8.293 51 1HG PRO 7 1HG PRO 7 -1.868 -10.353 -7.746 52 2HG PRO 7 2HG PRO 7 -0.760 -9.750 -9.009 53 1HD PRO 7 1HD PRO 7 -0.056 -10.875 -6.560 54 2HD PRO 7 2HD PRO 7 0.991 -9.835 -7.564 55 H VAL 8 H VAL 8 -2.443 -6.673 -4.580 56 HA VAL 8 HA VAL 8 -4.394 -8.769 -4.032 57 HB VAL 8 HB VAL 8 -3.788 -6.355 -2.290 58 1HG1 VAL 8 11HG VAL 8 -5.988 -7.180 -1.970 59 2HG1 VAL 8 12HG VAL 8 -4.999 -7.534 -0.549 60 3HG1 VAL 8 13HG VAL 8 -5.377 -8.814 -1.709 61 1HG2 VAL 8 21HG VAL 8 -2.803 -9.175 -1.953 62 2HG2 VAL 8 22HG VAL 8 -2.581 -7.854 -0.793 63 3HG2 VAL 8 23HG VAL 8 -1.839 -7.764 -2.400 64 H GLU 9 H GLU 9 -6.146 -8.266 -5.314 65 HA GLU 9 HA GLU 9 -6.618 -5.437 -5.752 66 1HB GLU 9 1HB GLU 9 -6.641 -6.964 -7.743 67 2HB GLU 9 2HB GLU 9 -8.070 -7.737 -7.050 68 1HG GLU 9 1HG GLU 9 -9.139 -5.470 -7.007 69 2HG GLU 9 2HG GLU 9 -7.776 -4.893 -7.959 70 H LEU 10 H LEU 10 -7.574 -4.690 -4.102 71 HA LEU 10 HA LEU 10 -9.420 -6.379 -2.650 72 1HB LEU 10 1HB LEU 10 -7.540 -4.494 -1.983 73 2HB LEU 10 2HB LEU 10 -9.044 -3.609 -1.843 74 HG LEU 10 HG LEU 10 -8.289 -6.110 -0.306 75 1HD1 LEU 10 11HD LEU 10 -7.113 -4.181 0.308 76 2HD1 LEU 10 12HD LEU 10 -8.268 -4.689 1.561 77 3HD1 LEU 10 13HD LEU 10 -8.634 -3.295 0.509 78 1HD2 LEU 10 21HD LEU 10 -10.793 -4.452 -0.299 79 2HD2 LEU 10 22HD LEU 10 -10.342 -5.605 0.954 80 3HD2 LEU 10 23HD LEU 10 -10.612 -6.169 -0.703 81 H GLU 11 H GLU 11 -11.517 -5.480 -2.192 82 HA GLU 11 HA GLU 11 -12.401 -3.565 -4.184 83 1HB GLU 11 1HB GLU 11 -13.181 -5.751 -4.887 84 2HB GLU 11 2HB GLU 11 -13.829 -6.071 -3.289 85 1HG GLU 11 1HG GLU 11 -15.484 -4.332 -3.579 86 2HG GLU 11 2HG GLU 11 -14.785 -3.907 -5.143 87 H LYS 12 H LYS 12 -12.464 -1.892 -2.989 88 HA LYS 12 HA LYS 12 -13.737 -2.024 -0.416 89 1HB LYS 12 1HB LYS 12 -11.787 -0.256 -1.708 90 2HB LYS 12 2HB LYS 12 -12.795 0.489 -0.497 91 1HG LYS 12 1HG LYS 12 -10.942 -1.878 -0.207 92 2HG LYS 12 2HG LYS 12 -10.726 -0.268 0.480 93 1HD LYS 12 1HD LYS 12 -13.260 -1.316 1.234 94 2HD LYS 12 2HD LYS 12 -12.001 -2.494 1.707 95 1HE LYS 12 1HE LYS 12 -12.355 -1.192 3.544 96 2HE LYS 12 2HE LYS 12 -10.968 -0.440 2.847 97 1HZ LYS 12 1HZ LYS 12 -12.423 1.327 1.800 98 2HZ LYS 12 2HZ LYS 12 -12.676 1.287 3.460 99 3HZ LYS 12 3HZ LYS 12 -13.772 0.584 2.449 100 H ASP 13 H ASP 13 -14.515 0.378 -0.010 101 HA ASP 13 HA ASP 13 -16.948 0.796 -1.371 102 1HB ASP 13 1HB ASP 13 -15.436 2.765 0.311 103 2HB ASP 13 2HB ASP 13 -17.159 2.625 0.106 104 H GLU 14 H GLU 14 -17.321 2.681 -2.622 105 HA GLU 14 HA GLU 14 -15.155 3.502 -4.285 106 1HB GLU 14 1HB GLU 14 -16.805 5.064 -5.314 107 2HB GLU 14 2HB GLU 14 -17.334 3.392 -5.278 108 1HG GLU 14 1HG GLU 14 -18.764 3.873 -3.365 109 2HG GLU 14 2HG GLU 14 -18.203 5.546 -3.369 110 H ASP 15 H ASP 15 -16.143 4.409 -1.289 111 HA ASP 15 HA ASP 15 -15.397 7.173 -1.219 112 1HB ASP 15 1HB ASP 15 -16.799 5.932 0.525 113 2HB ASP 15 2HB ASP 15 -15.295 5.223 1.088 114 H GLY 16 H GLY 16 -13.741 4.035 -0.655 115 1HA GLY 16 1HA GLY 16 -11.402 4.286 -1.528 116 2HA GLY 16 2HA GLY 16 -11.259 5.489 -0.251 117 H LEU 17 H LEU 17 -9.816 4.450 0.969 118 HA LEU 17 HA LEU 17 -10.426 1.710 1.863 119 1HB LEU 17 1HB LEU 17 -7.915 3.225 2.411 120 2HB LEU 17 2HB LEU 17 -8.182 1.494 2.430 121 HG LEU 17 HG LEU 17 -8.091 3.262 0.053 122 1HD1 LEU 17 11HD LEU 17 -5.949 2.989 0.980 123 2HD1 LEU 17 12HD LEU 17 -6.033 1.965 -0.455 124 3HD1 LEU 17 13HD LEU 17 -6.167 1.252 1.151 125 1HD2 LEU 17 21HD LEU 17 -8.140 1.158 -1.271 126 2HD2 LEU 17 22HD LEU 17 -9.629 1.462 -0.383 127 3HD2 LEU 17 23HD LEU 17 -8.479 0.266 0.219 128 H GLY 18 H GLY 18 -9.451 4.896 2.915 129 1HA GLY 18 1HA GLY 18 -9.886 6.025 4.846 130 2HA GLY 18 2HA GLY 18 -10.776 4.623 5.437 131 H ILE 19 H ILE 19 -7.491 4.426 4.200 132 HA ILE 19 HA ILE 19 -6.715 3.571 6.917 133 HB ILE 19 HB ILE 19 -4.944 2.243 5.989 134 1HG1 ILE 19 11HG ILE 19 -5.709 3.317 3.260 135 2HG1 ILE 19 12HG ILE 19 -4.311 3.825 4.206 136 1HG2 ILE 19 21HG ILE 19 -7.182 1.255 5.957 137 2HG2 ILE 19 22HG ILE 19 -6.205 0.655 4.613 138 3HG2 ILE 19 23HG ILE 19 -7.439 1.885 4.335 139 1HD1 ILE 19 11HD ILE 19 -3.370 1.589 4.078 140 2HD1 ILE 19 12HD ILE 19 -3.689 2.215 2.461 141 3HD1 ILE 19 13HD ILE 19 -4.781 1.032 3.180 142 H SER 20 H SER 20 -4.093 3.682 6.972 143 HA SER 20 HA SER 20 -3.274 6.458 6.468 144 1HB SER 20 1HB SER 20 -2.954 4.907 9.055 145 2HB SER 20 2HB SER 20 -2.436 6.561 8.774 146 HG SER 20 HG SER 20 -4.778 6.854 8.220 147 H ILE 21 H ILE 21 -0.970 6.657 6.387 148 HA ILE 21 HA ILE 21 0.485 4.144 5.925 149 HB ILE 21 HB ILE 21 1.671 5.267 4.070 150 1HG1 ILE 21 11HG ILE 21 0.185 7.312 3.086 151 2HG1 ILE 21 12HG ILE 21 -0.154 7.507 4.778 152 1HG2 ILE 21 21HG ILE 21 -1.302 5.061 3.681 153 2HG2 ILE 21 22HG ILE 21 -0.122 3.760 3.533 154 3HG2 ILE 21 23HG ILE 21 -0.107 5.100 2.386 155 1HD1 ILE 21 11HD ILE 21 1.687 8.948 4.056 156 2HD1 ILE 21 12HD ILE 21 2.613 7.567 3.566 157 3HD1 ILE 21 13HD ILE 21 2.227 7.798 5.261 158 H ILE 22 H ILE 22 2.863 4.494 6.085 159 HA ILE 22 HA ILE 22 3.503 6.922 7.483 160 HB ILE 22 HB ILE 22 3.215 5.315 9.241 161 1HG1 ILE 22 11HG ILE 22 6.160 5.886 8.834 162 2HG1 ILE 22 12HG ILE 22 4.991 7.019 9.486 163 1HG2 ILE 22 21HG ILE 22 4.629 3.316 9.473 164 2HG2 ILE 22 22HG ILE 22 5.308 3.652 7.876 165 3HG2 ILE 22 23HG ILE 22 3.593 3.259 8.040 166 1HD1 ILE 22 11HD ILE 22 5.814 4.412 10.739 167 2HD1 ILE 22 12HD ILE 22 4.657 5.562 11.417 168 3HD1 ILE 22 13HD ILE 22 6.350 6.014 11.232 169 H GLY 23 H GLY 23 5.339 7.879 6.860 170 1HA GLY 23 1HA GLY 23 6.691 6.647 4.626 171 2HA GLY 23 2HA GLY 23 6.829 8.328 5.141 172 H MET 24 H MET 24 8.223 5.309 5.119 173 HA MET 24 HA MET 24 10.309 6.171 7.048 174 1HB MET 24 1HB MET 24 9.434 3.332 6.442 175 2HB MET 24 2HB MET 24 10.686 3.809 7.572 176 1HG MET 24 1HG MET 24 7.738 4.392 7.848 177 2HG MET 24 2HG MET 24 8.623 3.140 8.707 178 1HE MET 24 1HE MET 24 11.324 4.533 9.531 179 2HE MET 24 2HE MET 24 10.344 3.597 10.660 180 3HE MET 24 3HE MET 24 10.914 5.207 11.110 181 H GLY 25 H GLY 25 12.365 4.898 6.528 182 1HA GLY 25 1HA GLY 25 12.583 4.889 3.592 183 2HA GLY 25 2HA GLY 25 13.815 5.600 4.617 184 H VAL 26 H VAL 26 12.567 2.770 3.254 185 HA VAL 26 HA VAL 26 14.574 1.210 4.669 186 HB VAL 26 HB VAL 26 12.345 0.177 4.649 187 1HG1 VAL 26 11HG VAL 26 11.463 1.042 2.582 188 2HG1 VAL 26 12HG VAL 26 11.305 -0.714 2.642 189 3HG1 VAL 26 13HG VAL 26 12.569 0.028 1.658 190 1HG2 VAL 26 21HG VAL 26 14.318 -1.374 2.998 191 2HG2 VAL 26 22HG VAL 26 12.931 -2.065 3.836 192 3HG2 VAL 26 23HG VAL 26 14.236 -1.316 4.759 193 H GLY 27 H GLY 27 16.436 1.710 3.851 194 1HA GLY 27 1HA GLY 27 16.732 1.689 0.958 195 2HA GLY 27 2HA GLY 27 17.752 2.591 2.065 196 H ALA 28 H ALA 28 19.635 1.771 2.501 197 HA ALA 28 HA ALA 28 20.509 -0.499 1.050 198 1HB ALA 28 1HB ALA 28 22.013 1.195 3.024 199 2HB ALA 28 2HB ALA 28 21.861 1.515 1.296 200 3HB ALA 28 3HB ALA 28 22.717 0.080 1.858 201 H ASP 29 H ASP 29 19.489 -0.064 4.315 202 HA ASP 29 HA ASP 29 20.990 -2.160 5.498 203 1HB ASP 29 1HB ASP 29 19.898 -0.389 6.836 204 2HB ASP 29 2HB ASP 29 18.325 -1.045 6.384 205 H ALA 30 H ALA 30 18.069 -2.118 3.702 206 HA ALA 30 HA ALA 30 17.739 -4.995 4.183 207 1HB ALA 30 1HB ALA 30 15.862 -3.028 2.892 208 2HB ALA 30 2HB ALA 30 15.731 -3.665 4.532 209 3HB ALA 30 3HB ALA 30 15.525 -4.738 3.144 210 H GLY 31 H GLY 31 18.751 -2.685 1.876 211 1HA GLY 31 1HA GLY 31 19.984 -3.217 -0.092 212 2HA GLY 31 2HA GLY 31 19.271 -4.834 -0.005 213 H LEU 32 H LEU 32 17.295 -2.019 0.310 214 HA LEU 32 HA LEU 32 16.057 -2.923 -2.171 215 1HB LEU 32 1HB LEU 32 14.758 -1.539 0.144 216 2HB LEU 32 2HB LEU 32 13.942 -2.162 -1.290 217 HG LEU 32 HG LEU 32 15.173 -3.696 0.981 218 1HD1 LEU 32 11HD LEU 32 12.958 -2.917 1.403 219 2HD1 LEU 32 12HD LEU 32 12.948 -4.668 1.195 220 3HD1 LEU 32 13HD LEU 32 12.385 -3.620 -0.109 221 1HD2 LEU 32 21HD LEU 32 15.856 -4.876 -0.987 222 2HD2 LEU 32 22HD LEU 32 14.229 -4.790 -1.675 223 3HD2 LEU 32 23HD LEU 32 14.534 -5.776 -0.240 224 H GLU 33 H GLU 33 16.113 0.091 -0.206 225 HA GLU 33 HA GLU 33 16.244 2.262 -0.759 226 1HB GLU 33 1HB GLU 33 17.695 1.221 -3.191 227 2HB GLU 33 2HB GLU 33 17.596 2.926 -2.759 228 1HG GLU 33 1HG GLU 33 18.726 2.399 -0.616 229 2HG GLU 33 2HG GLU 33 18.894 0.734 -1.153 230 H LYS 34 H LYS 34 13.980 0.908 -1.303 231 HA LYS 34 HA LYS 34 12.904 2.534 -3.488 232 1HB LYS 34 1HB LYS 34 10.949 0.943 -3.526 233 2HB LYS 34 2HB LYS 34 12.461 0.201 -3.972 234 1HG LYS 34 1HG LYS 34 12.615 -0.952 -1.902 235 2HG LYS 34 2HG LYS 34 11.317 0.011 -1.210 236 1HD LYS 34 1HD LYS 34 10.679 -2.339 -1.892 237 2HD LYS 34 2HD LYS 34 9.669 -1.046 -2.529 238 1HE LYS 34 1HE LYS 34 10.135 -2.734 -4.235 239 2HE LYS 34 2HE LYS 34 10.822 -1.165 -4.649 240 1HZ LYS 34 1HZ LYS 34 13.012 -2.004 -3.970 241 2HZ LYS 34 2HZ LYS 34 12.339 -2.934 -5.158 242 3HZ LYS 34 3HZ LYS 34 12.350 -3.506 -3.591 243 H LEU 35 H LEU 35 10.250 2.334 -2.659 244 HA LEU 35 HA LEU 35 9.912 4.447 -0.927 245 1HB LEU 35 1HB LEU 35 7.591 3.775 -0.946 246 2HB LEU 35 2HB LEU 35 8.267 3.600 -2.553 247 HG LEU 35 HG LEU 35 8.664 1.134 -1.380 248 1HD1 LEU 35 11HD LEU 35 5.953 2.117 -0.593 249 2HD1 LEU 35 12HD LEU 35 7.267 1.548 0.448 250 3HD1 LEU 35 13HD LEU 35 6.455 0.433 -0.632 251 1HD2 LEU 35 21HD LEU 35 8.102 1.476 -3.669 252 2HD2 LEU 35 22HD LEU 35 6.451 1.975 -3.243 253 3HD2 LEU 35 23HD LEU 35 7.015 0.325 -2.933 254 H GLY 36 H GLY 36 9.526 4.502 1.300 255 1HA GLY 36 1HA GLY 36 9.635 1.911 2.682 256 2HA GLY 36 2HA GLY 36 10.234 3.424 3.371 257 H ILE 37 H ILE 37 7.313 3.026 1.530 258 HA ILE 37 HA ILE 37 5.865 4.280 3.678 259 HB ILE 37 HB ILE 37 4.789 3.366 1.005 260 1HG1 ILE 37 11HG ILE 37 6.650 5.061 0.857 261 2HG1 ILE 37 12HG ILE 37 5.118 5.628 0.171 262 1HG2 ILE 37 21HG ILE 37 3.692 5.273 3.079 263 2HG2 ILE 37 22HG ILE 37 3.071 3.676 2.714 264 3HG2 ILE 37 23HG ILE 37 2.956 4.962 1.505 265 1HD1 ILE 37 11HD ILE 37 4.791 6.827 2.344 266 2HD1 ILE 37 12HD ILE 37 6.126 7.390 1.353 267 3HD1 ILE 37 13HD ILE 37 6.447 6.356 2.758 268 H PHE 38 H PHE 38 5.327 3.031 5.219 269 HA PHE 38 HA PHE 38 4.291 0.351 4.648 270 1HB PHE 38 1HB PHE 38 5.180 1.632 7.226 271 2HB PHE 38 2HB PHE 38 4.460 0.030 7.137 272 HD1 PHE 38 HD1 PHE 38 7.464 1.996 6.645 273 HD2 PHE 38 HD2 PHE 38 5.678 -1.808 6.012 274 HE1 PHE 38 HE1 PHE 38 9.689 1.027 6.233 275 HE2 PHE 38 HE2 PHE 38 7.897 -2.787 5.599 276 HZ PHE 38 HZ PHE 38 9.908 -1.370 5.711 277 H VAL 39 H VAL 39 2.378 -0.285 5.866 278 HA VAL 39 HA VAL 39 0.405 1.797 5.723 279 HB VAL 39 HB VAL 39 0.158 -1.081 6.690 280 1HG1 VAL 39 11HG VAL 39 -1.667 0.318 7.508 281 2HG1 VAL 39 12HG VAL 39 -2.256 -0.798 6.274 282 3HG1 VAL 39 13HG VAL 39 -1.976 0.898 5.872 283 1HG2 VAL 39 21HG VAL 39 0.903 -0.962 4.359 284 2HG2 VAL 39 22HG VAL 39 -0.433 0.106 3.975 285 3HG2 VAL 39 23HG VAL 39 -0.753 -1.562 4.453 286 H LYS 40 H LYS 40 -0.271 2.982 7.419 287 HA LYS 40 HA LYS 40 1.152 2.508 9.896 288 1HB LYS 40 1HB LYS 40 1.288 4.770 9.046 289 2HB LYS 40 2HB LYS 40 -0.449 4.889 8.973 290 1HG LYS 40 1HG LYS 40 0.267 6.215 10.805 291 2HG LYS 40 2HG LYS 40 -0.504 4.793 11.476 292 1HD LYS 40 1HD LYS 40 2.506 5.154 11.249 293 2HD LYS 40 2HD LYS 40 1.572 5.565 12.680 294 1HE LYS 40 1HE LYS 40 0.809 3.115 12.655 295 2HE LYS 40 2HE LYS 40 2.075 2.893 11.453 296 1HZ LYS 40 1HZ LYS 40 2.596 3.948 14.166 297 2HZ LYS 40 2HZ LYS 40 3.742 3.500 13.001 298 3HZ LYS 40 3HZ LYS 40 2.775 2.343 13.716 299 H THR 41 H THR 41 -2.135 2.724 8.671 300 HA THR 41 HA THR 41 -3.095 1.171 10.892 301 HB THR 41 HB THR 41 -4.566 3.637 10.330 302 HG1 THR 41 HG1 THR 41 -2.185 3.409 11.878 303 1HG2 THR 41 21HG THR 41 -4.231 1.996 12.841 304 2HG2 THR 41 22HG THR 41 -5.612 2.000 11.737 305 3HG2 THR 41 23HG THR 41 -5.259 3.426 12.715 306 H VAL 42 H VAL 42 -5.319 0.581 10.387 307 HA VAL 42 HA VAL 42 -6.015 1.086 7.618 308 HB VAL 42 HB VAL 42 -6.813 -1.379 9.238 309 1HG1 VAL 42 11HG VAL 42 -8.314 -0.933 7.419 310 2HG1 VAL 42 12HG VAL 42 -7.356 -2.354 7.004 311 3HG1 VAL 42 13HG VAL 42 -6.964 -0.777 6.306 312 1HG2 VAL 42 21HG VAL 42 -4.387 -1.423 8.960 313 2HG2 VAL 42 22HG VAL 42 -4.571 -1.179 7.223 314 3HG2 VAL 42 23HG VAL 42 -5.146 -2.669 7.968 315 H THR 43 H THR 43 -8.519 0.918 7.475 316 HA THR 43 HA THR 43 -9.730 2.694 9.322 317 HB THR 43 HB THR 43 -10.357 2.607 6.945 318 HG1 THR 43 HG1 THR 43 -12.129 3.370 7.740 319 1HG2 THR 43 21HG THR 43 -11.639 0.720 6.040 320 2HG2 THR 43 22HG THR 43 -11.451 -0.137 7.577 321 3HG2 THR 43 23HG THR 43 -10.039 0.210 6.585 322 H GLU 44 H GLU 44 -12.091 1.899 10.037 323 HA GLU 44 HA GLU 44 -11.859 0.339 12.318 324 1HB GLU 44 1HB GLU 44 -13.708 1.863 11.974 325 2HB GLU 44 2HB GLU 44 -14.309 0.871 10.651 326 1HG GLU 44 1HG GLU 44 -15.653 0.443 12.586 327 2HG GLU 44 2HG GLU 44 -14.623 -0.956 12.234 328 H GLY 45 H GLY 45 -13.650 -0.753 9.416 329 1HA GLY 45 1HA GLY 45 -12.333 -3.118 9.136 330 2HA GLY 45 2HA GLY 45 -13.539 -3.426 10.385 331 H GLY 46 H GLY 46 -13.591 -1.530 7.355 332 1HA GLY 46 1HA GLY 46 -15.897 -3.015 6.556 333 2HA GLY 46 2HA GLY 46 -15.130 -1.694 5.668 334 H ALA 47 H ALA 47 -14.913 -2.739 3.806 335 HA ALA 47 HA ALA 47 -14.306 -5.441 3.464 336 1HB ALA 47 1HB ALA 47 -14.092 -5.019 1.120 337 2HB ALA 47 2HB ALA 47 -13.912 -3.289 1.412 338 3HB ALA 47 3HB ALA 47 -15.433 -4.091 1.782 339 H ALA 48 H ALA 48 -12.066 -3.052 4.276 340 HA ALA 48 HA ALA 48 -9.780 -4.298 2.949 341 1HB ALA 48 1HB ALA 48 -8.402 -2.728 4.273 342 2HB ALA 48 2HB ALA 48 -9.849 -2.187 5.126 343 3HB ALA 48 3HB ALA 48 -9.681 -1.899 3.394 344 H GLN 49 H GLN 49 -10.511 -3.745 6.426 345 HA GLN 49 HA GLN 49 -8.951 -5.979 7.122 346 1HB GLN 49 1HB GLN 49 -10.796 -4.225 8.698 347 2HB GLN 49 2HB GLN 49 -9.964 -5.586 9.461 348 1HG GLN 49 1HG GLN 49 -7.817 -4.583 8.567 349 2HG GLN 49 2HG GLN 49 -8.792 -3.195 8.103 350 1HE2 GLN 49 21HE GLN 49 -10.452 -3.264 10.519 351 2HE2 GLN 49 22HE GLN 49 -9.422 -2.707 11.753 352 H ARG 50 H ARG 50 -12.152 -5.800 6.020 353 HA ARG 50 HA ARG 50 -12.908 -8.320 7.144 354 1HB ARG 50 1HB ARG 50 -14.117 -6.673 4.949 355 2HB ARG 50 2HB ARG 50 -14.742 -8.255 5.377 356 1HG ARG 50 1HG ARG 50 -14.478 -5.938 7.234 357 2HG ARG 50 2HG ARG 50 -15.988 -6.378 6.408 358 1HD ARG 50 1HD ARG 50 -15.848 -8.580 7.574 359 2HD ARG 50 2HD ARG 50 -14.424 -7.984 8.426 360 HE ARG 50 HE ARG 50 -16.880 -6.459 8.618 361 1HH1 ARG 50 11HH ARG 50 -14.541 -8.629 10.176 362 2HH1 ARG 50 12HH ARG 50 -15.174 -8.357 11.739 363 1HH2 ARG 50 21HH ARG 50 -17.732 -6.147 10.784 364 2HH2 ARG 50 22HH ARG 50 -16.995 -6.952 12.088 365 H ASP 51 H ASP 51 -11.251 -7.153 4.301 366 HA ASP 51 HA ASP 51 -11.451 -9.347 2.624 367 1HB ASP 51 1HB ASP 51 -10.357 -7.308 1.927 368 2HB ASP 51 2HB ASP 51 -9.046 -7.574 3.070 369 H GLY 52 H GLY 52 -8.832 -8.805 4.961 370 1HA GLY 52 1HA GLY 52 -8.243 -10.508 6.534 371 2HA GLY 52 2HA GLY 52 -8.843 -11.703 5.401 372 H ARG 53 H ARG 53 -7.178 -10.000 3.284 373 HA ARG 53 HA ARG 53 -4.688 -11.473 3.810 374 1HB ARG 53 1HB ARG 53 -5.930 -11.510 1.568 375 2HB ARG 53 2HB ARG 53 -5.408 -9.853 1.378 376 1HG ARG 53 1HG ARG 53 -3.465 -12.120 1.772 377 2HG ARG 53 2HG ARG 53 -4.078 -11.681 0.189 378 1HD ARG 53 1HD ARG 53 -2.190 -10.460 0.148 379 2HD ARG 53 2HD ARG 53 -3.180 -9.277 0.989 380 HE ARG 53 HE ARG 53 -1.510 -11.146 2.524 381 1HH1 ARG 53 11HH ARG 53 -2.091 -7.812 1.454 382 2HH1 ARG 53 12HH ARG 53 -1.009 -7.154 2.624 383 1HH2 ARG 53 21HH ARG 53 0.105 -10.154 3.990 384 2HH2 ARG 53 22HH ARG 53 0.291 -8.454 3.953 385 H ILE 54 H ILE 54 -5.672 -8.204 2.850 386 HA ILE 54 HA ILE 54 -3.072 -7.171 3.294 387 HB ILE 54 HB ILE 54 -4.887 -6.095 1.813 388 1HG1 ILE 54 11HG ILE 54 -3.545 -4.208 3.775 389 2HG1 ILE 54 12HG ILE 54 -2.685 -5.015 2.472 390 1HG2 ILE 54 21HG ILE 54 -6.726 -6.070 3.399 391 2HG2 ILE 54 22HG ILE 54 -6.320 -4.388 3.009 392 3HG2 ILE 54 23HG ILE 54 -5.757 -5.122 4.522 393 1HD1 ILE 54 11HD ILE 54 -3.265 -2.716 1.911 394 2HD1 ILE 54 12HD ILE 54 -4.986 -3.098 2.099 395 3HD1 ILE 54 13HD ILE 54 -4.029 -3.868 0.831 396 H GLN 55 H GLN 55 -2.215 -5.977 4.976 397 HA GLN 55 HA GLN 55 -3.803 -5.813 7.368 398 1HB GLN 55 1HB GLN 55 -1.760 -6.745 8.651 399 2HB GLN 55 2HB GLN 55 -2.802 -7.880 7.799 400 1HG GLN 55 1HG GLN 55 -1.267 -8.007 5.974 401 2HG GLN 55 2HG GLN 55 -0.283 -6.725 6.662 402 1HE2 GLN 55 21HE GLN 55 1.431 -8.016 6.553 403 2HE2 GLN 55 22HE GLN 55 1.750 -9.301 7.677 404 H VAL 56 H VAL 56 -2.378 -4.710 9.161 405 HA VAL 56 HA VAL 56 -1.576 -2.146 8.121 406 HB VAL 56 HB VAL 56 -2.801 -2.666 10.335 407 1HG1 VAL 56 11HG VAL 56 0.014 -3.118 11.307 408 2HG1 VAL 56 12HG VAL 56 -1.272 -4.301 11.248 409 3HG1 VAL 56 13HG VAL 56 -1.401 -2.916 12.341 410 1HG2 VAL 56 21HG VAL 56 -2.159 -0.417 9.750 411 2HG2 VAL 56 22HG VAL 56 -0.513 -0.710 10.308 412 3HG2 VAL 56 23HG VAL 56 -1.846 -0.691 11.461 413 H ASN 57 H ASN 57 0.008 -5.002 8.522 414 HA ASN 57 HA ASN 57 2.546 -3.834 9.325 415 1HB ASN 57 1HB ASN 57 1.780 -5.963 10.357 416 2HB ASN 57 2HB ASN 57 1.826 -6.727 8.774 417 1HD2 ASN 57 21HD ASN 57 3.711 -5.439 11.402 418 2HD2 ASN 57 22HD ASN 57 5.194 -6.197 10.936 419 H ASP 58 H ASP 58 0.897 -4.109 6.537 420 HA ASP 58 HA ASP 58 2.986 -5.147 4.851 421 1HB ASP 58 1HB ASP 58 0.327 -3.925 4.158 422 2HB ASP 58 2HB ASP 58 1.487 -4.534 2.988 423 H GLN 59 H GLN 59 3.325 -3.883 2.779 424 HA GLN 59 HA GLN 59 3.835 -1.062 3.302 425 1HB GLN 59 1HB GLN 59 5.967 -2.171 3.530 426 2HB GLN 59 2HB GLN 59 5.657 -3.132 2.086 427 1HG GLN 59 1HG GLN 59 5.864 -1.214 0.688 428 2HG GLN 59 2HG GLN 59 5.946 -0.141 2.078 429 1HE2 GLN 59 21HE GLN 59 7.825 0.027 3.188 430 2HE2 GLN 59 22HE GLN 59 9.332 -0.586 2.561 431 H ILE 60 H ILE 60 2.993 0.187 1.748 432 HA ILE 60 HA ILE 60 1.561 -1.059 -0.421 433 HB ILE 60 HB ILE 60 2.046 1.896 0.061 434 1HG1 ILE 60 11HG ILE 60 0.832 0.958 1.987 435 2HG1 ILE 60 12HG ILE 60 -0.231 1.954 0.993 436 1HG2 ILE 60 21HG ILE 60 1.408 1.184 -2.223 437 2HG2 ILE 60 22HG ILE 60 0.239 2.271 -1.474 438 3HG2 ILE 60 23HG ILE 60 -0.083 0.534 -1.552 439 1HD1 ILE 60 11HD ILE 60 -0.133 -1.046 1.016 440 2HD1 ILE 60 12HD ILE 60 -1.182 -0.059 -0.002 441 3HD1 ILE 60 13HD ILE 60 -1.381 -0.037 1.751 442 H VAL 61 H VAL 61 2.839 -1.779 -2.071 443 HA VAL 61 HA VAL 61 5.263 -0.334 -2.710 444 HB VAL 61 HB VAL 61 4.149 -2.929 -3.794 445 1HG1 VAL 61 11HG VAL 61 5.603 -1.933 -5.439 446 2HG1 VAL 61 12HG VAL 61 6.271 -3.396 -4.712 447 3HG1 VAL 61 13HG VAL 61 6.902 -1.807 -4.229 448 1HG2 VAL 61 21HG VAL 61 6.333 -2.427 -1.789 449 2HG2 VAL 61 22HG VAL 61 5.872 -4.001 -2.441 450 3HG2 VAL 61 23HG VAL 61 4.727 -3.082 -1.466 451 H GLU 62 H GLU 62 2.332 -1.309 -4.362 452 HA GLU 62 HA GLU 62 2.451 1.070 -6.042 453 1HB GLU 62 1HB GLU 62 3.666 -0.610 -7.341 454 2HB GLU 62 2HB GLU 62 2.330 -1.730 -7.171 455 1HG GLU 62 1HG GLU 62 0.889 -0.104 -8.359 456 2HG GLU 62 2HG GLU 62 2.324 0.878 -8.639 457 H VAL 63 H VAL 63 0.411 1.837 -5.985 458 HA VAL 63 HA VAL 63 -1.734 -0.115 -5.727 459 HB VAL 63 HB VAL 63 -1.416 2.560 -4.381 460 1HG1 VAL 63 11HG VAL 63 -4.096 1.315 -5.070 461 2HG1 VAL 63 12HG VAL 63 -3.466 2.833 -5.728 462 3HG1 VAL 63 13HG VAL 63 -3.836 2.702 -4.001 463 1HG2 VAL 63 21HG VAL 63 -1.037 0.422 -3.274 464 2HG2 VAL 63 22HG VAL 63 -2.706 -0.031 -3.605 465 3HG2 VAL 63 23HG VAL 63 -2.358 1.342 -2.552 466 H ASP 64 H ASP 64 -3.031 -0.303 -7.231 467 HA ASP 64 HA ASP 64 -4.425 0.050 -8.921 468 1HB ASP 64 1HB ASP 64 -5.038 2.187 -7.801 469 2HB ASP 64 2HB ASP 64 -3.804 3.009 -8.742 470 H GLY 65 H GLY 65 -1.344 0.580 -9.061 471 1HA GLY 65 1HA GLY 65 0.075 0.018 -10.900 472 2HA GLY 65 2HA GLY 65 -1.202 0.577 -11.985 473 H ILE 66 H ILE 66 -0.801 2.644 -9.347 474 HA ILE 66 HA ILE 66 0.075 4.796 -10.986 475 HB ILE 66 HB ILE 66 -1.408 4.810 -8.760 476 1HG1 ILE 66 11HG ILE 66 0.638 6.961 -9.328 477 2HG1 ILE 66 12HG ILE 66 -0.843 6.724 -10.255 478 1HG2 ILE 66 21HG ILE 66 1.375 5.247 -7.679 479 2HG2 ILE 66 22HG ILE 66 0.314 3.889 -7.300 480 3HG2 ILE 66 23HG ILE 66 -0.133 5.529 -6.805 481 1HD1 ILE 66 11HD ILE 66 -0.618 7.436 -7.369 482 2HD1 ILE 66 12HD ILE 66 -2.138 7.153 -8.221 483 3HD1 ILE 66 13HD ILE 66 -1.108 8.524 -8.670 484 H SER 67 H SER 67 1.715 2.465 -9.208 485 HA SER 67 HA SER 67 3.802 2.123 -8.412 486 1HB SER 67 1HB SER 67 5.643 2.642 -10.057 487 2HB SER 67 2HB SER 67 4.263 1.785 -10.749 488 HG SER 67 HG SER 67 4.004 4.488 -10.835 489 H LEU 68 H LEU 68 3.876 3.147 -6.543 490 HA LEU 68 HA LEU 68 4.685 5.949 -6.529 491 1HB LEU 68 1HB LEU 68 3.899 5.918 -4.208 492 2HB LEU 68 2HB LEU 68 2.659 5.430 -5.344 493 HG LEU 68 HG LEU 68 3.890 3.081 -4.562 494 1HD1 LEU 68 11HD LEU 68 4.958 4.224 -2.747 495 2HD1 LEU 68 12HD LEU 68 3.745 3.094 -2.133 496 3HD1 LEU 68 13HD LEU 68 3.408 4.833 -2.169 497 1HD2 LEU 68 21HD LEU 68 1.611 3.395 -5.127 498 2HD2 LEU 68 22HD LEU 68 1.315 4.331 -3.649 499 3HD2 LEU 68 23HD LEU 68 1.744 2.609 -3.558 500 H VAL 69 H VAL 69 6.213 3.432 -6.846 501 HA VAL 69 HA VAL 69 7.977 3.024 -4.708 502 HB VAL 69 HB VAL 69 8.676 2.665 -7.634 503 1HG1 VAL 69 11HG VAL 69 9.791 1.347 -5.171 504 2HG1 VAL 69 12HG VAL 69 10.613 2.542 -6.171 505 3HG1 VAL 69 13HG VAL 69 10.235 0.947 -6.828 506 1HG2 VAL 69 21HG VAL 69 7.343 0.707 -5.745 507 2HG2 VAL 69 22HG VAL 69 7.921 0.328 -7.369 508 3HG2 VAL 69 23HG VAL 69 6.605 1.477 -7.149 509 H GLY 70 H GLY 70 8.774 4.808 -3.781 510 1HA GLY 70 1HA GLY 70 10.948 5.942 -3.673 511 2HA GLY 70 2HA GLY 70 10.721 6.352 -5.367 512 H VAL 71 H VAL 71 7.800 6.601 -3.673 513 HA VAL 71 HA VAL 71 8.086 9.488 -3.721 514 HB VAL 71 HB VAL 71 5.713 9.652 -3.626 515 1HG1 VAL 71 11HG VAL 71 5.022 8.416 -5.603 516 2HG1 VAL 71 12HG VAL 71 6.456 7.409 -5.471 517 3HG1 VAL 71 13HG VAL 71 6.624 9.135 -5.807 518 1HG2 VAL 71 21HG VAL 71 5.276 7.918 -1.944 519 2HG2 VAL 71 22HG VAL 71 5.618 6.668 -3.134 520 3HG2 VAL 71 23HG VAL 71 4.222 7.733 -3.342 521 H THR 72 H THR 72 6.706 10.622 -1.964 522 HA THR 72 HA THR 72 7.644 9.712 0.640 523 HB THR 72 HB THR 72 6.688 12.023 1.249 524 HG1 THR 72 HG1 THR 72 7.160 12.718 -1.431 525 1HG2 THR 72 21HG THR 72 9.081 11.814 -0.617 526 2HG2 THR 72 22HG THR 72 9.112 11.531 1.121 527 3HG2 THR 72 23HG THR 72 8.774 13.143 0.499 528 H GLN 73 H GLN 73 6.156 10.381 2.374 529 HA GLN 73 HA GLN 73 3.974 8.704 2.334 530 1HB GLN 73 1HB GLN 73 3.573 9.393 4.576 531 2HB GLN 73 2HB GLN 73 5.290 9.496 4.312 532 1HG GLN 73 1HG GLN 73 3.350 11.726 4.357 533 2HG GLN 73 2HG GLN 73 4.464 11.326 5.667 534 1HE2 GLN 73 21HE GLN 73 6.795 11.405 5.029 535 2HE2 GLN 73 22HE GLN 73 7.250 12.634 3.941 536 H ASN 74 H ASN 74 4.187 12.096 1.613 537 HA ASN 74 HA ASN 74 1.411 12.529 1.752 538 1HB ASN 74 1HB ASN 74 1.832 14.716 0.677 539 2HB ASN 74 2HB ASN 74 2.917 14.427 2.026 540 1HD2 ASN 74 21HD ASN 74 5.093 14.262 1.628 541 2HD2 ASN 74 22HD ASN 74 5.794 14.593 0.095 542 H PHE 75 H PHE 75 3.550 11.631 -0.869 543 HA PHE 75 HA PHE 75 1.552 11.898 -2.876 544 1HB PHE 75 1HB PHE 75 4.014 11.759 -3.387 545 2HB PHE 75 2HB PHE 75 3.943 10.069 -2.899 546 HD1 PHE 75 HD1 PHE 75 3.325 12.429 -5.566 547 HD2 PHE 75 HD2 PHE 75 2.570 8.412 -4.303 548 HE1 PHE 75 HE1 PHE 75 2.719 11.800 -7.867 549 HE2 PHE 75 HE2 PHE 75 1.982 7.797 -6.587 550 HZ PHE 75 HZ PHE 75 2.050 9.488 -8.381 551 H ALA 76 H ALA 76 2.870 9.191 -0.984 552 HA ALA 76 HA ALA 76 1.221 7.228 -2.064 553 1HB ALA 76 1HB ALA 76 2.441 7.306 0.687 554 2HB ALA 76 2HB ALA 76 3.232 6.760 -0.798 555 3HB ALA 76 3HB ALA 76 1.841 5.877 -0.166 556 H ALA 77 H ALA 77 0.744 9.262 0.828 557 HA ALA 77 HA ALA 77 -1.638 8.193 1.753 558 1HB ALA 77 1HB ALA 77 -0.788 11.085 1.725 559 2HB ALA 77 2HB ALA 77 -0.390 9.902 2.972 560 3HB ALA 77 3HB ALA 77 -2.063 10.408 2.730 561 H THR 78 H THR 78 -1.075 10.627 -0.693 562 HA THR 78 HA THR 78 -3.731 11.250 -1.334 563 HB THR 78 HB THR 78 -1.211 11.300 -2.958 564 HG1 THR 78 HG1 THR 78 -1.029 12.692 -1.253 565 1HG2 THR 78 21HG THR 78 -2.357 12.917 -4.443 566 2HG2 THR 78 22HG THR 78 -3.854 12.645 -3.540 567 3HG2 THR 78 23HG THR 78 -3.106 11.318 -4.441 568 H VAL 79 H VAL 79 -1.550 8.781 -2.638 569 HA VAL 79 HA VAL 79 -3.278 7.790 -4.624 570 HB VAL 79 HB VAL 79 -1.210 6.198 -3.084 571 1HG1 VAL 79 11HG VAL 79 -2.773 4.810 -4.369 572 2HG1 VAL 79 12HG VAL 79 -1.164 4.751 -5.072 573 3HG1 VAL 79 13HG VAL 79 -2.419 5.730 -5.821 574 1HG2 VAL 79 21HG VAL 79 0.268 6.751 -5.016 575 2HG2 VAL 79 22HG VAL 79 -0.157 8.111 -3.985 576 3HG2 VAL 79 23HG VAL 79 -0.964 7.917 -5.534 577 H LEU 80 H LEU 80 -2.678 6.628 -1.325 578 HA LEU 80 HA LEU 80 -4.725 4.651 -1.370 579 1HB LEU 80 1HB LEU 80 -3.238 5.916 0.936 580 2HB LEU 80 2HB LEU 80 -4.466 4.701 1.177 581 HG LEU 80 HG LEU 80 -2.363 3.626 1.381 582 1HD1 LEU 80 11HD LEU 80 -3.437 2.957 -1.328 583 2HD1 LEU 80 12HD LEU 80 -3.983 2.325 0.225 584 3HD1 LEU 80 13HD LEU 80 -2.359 1.956 -0.354 585 1HD2 LEU 80 21HD LEU 80 -0.620 3.623 -0.299 586 2HD2 LEU 80 22HD LEU 80 -0.959 5.269 0.241 587 3HD2 LEU 80 23HD LEU 80 -1.575 4.703 -1.309 588 H ARG 81 H ARG 81 -4.961 7.884 -1.278 589 HA ARG 81 HA ARG 81 -7.563 7.915 0.048 590 1HB ARG 81 1HB ARG 81 -6.123 9.605 0.875 591 2HB ARG 81 2HB ARG 81 -5.611 10.071 -0.725 592 1HG ARG 81 1HG ARG 81 -8.467 10.440 -0.290 593 2HG ARG 81 2HG ARG 81 -7.451 11.382 0.806 594 1HD ARG 81 1HD ARG 81 -7.019 11.297 -2.170 595 2HD ARG 81 2HD ARG 81 -8.015 12.542 -1.375 596 HE ARG 81 HE ARG 81 -5.377 12.271 -0.310 597 1HH1 ARG 81 11HH ARG 81 -7.327 13.812 -2.833 598 2HH1 ARG 81 12HH ARG 81 -6.198 15.046 -3.150 599 1HH2 ARG 81 21HH ARG 81 -3.793 13.975 -0.781 600 2HH2 ARG 81 22HH ARG 81 -4.167 15.157 -1.935 601 H ASN 82 H ASN 82 -6.116 8.025 -3.058 602 HA ASN 82 HA ASN 82 -8.523 9.005 -4.359 603 1HB ASN 82 1HB ASN 82 -5.757 8.475 -5.258 604 2HB ASN 82 2HB ASN 82 -7.029 8.307 -6.464 605 1HD2 ASN 82 21HD ASN 82 -5.480 10.474 -4.242 606 2HD2 ASN 82 22HD ASN 82 -6.061 11.922 -4.995 607 H THR 83 H THR 83 -7.617 6.206 -3.121 608 HA THR 83 HA THR 83 -8.158 4.238 -4.984 609 HB THR 83 HB THR 83 -8.737 2.924 -2.884 610 HG1 THR 83 HG1 THR 83 -9.164 5.206 -1.935 611 1HG2 THR 83 21HG THR 83 -6.493 2.953 -3.909 612 2HG2 THR 83 22HG THR 83 -6.377 2.944 -2.152 613 3HG2 THR 83 23HG THR 83 -6.118 4.442 -3.045 614 H LYS 84 H LYS 84 -9.961 2.885 -5.171 615 HA LYS 84 HA LYS 84 -12.545 3.862 -4.358 616 1HB LYS 84 1HB LYS 84 -13.304 3.191 -6.790 617 2HB LYS 84 2HB LYS 84 -12.625 4.777 -6.510 618 1HG LYS 84 1HG LYS 84 -11.762 3.929 -8.556 619 2HG LYS 84 2HG LYS 84 -10.454 3.919 -7.377 620 1HD LYS 84 1HD LYS 84 -10.801 1.492 -7.072 621 2HD LYS 84 2HD LYS 84 -12.087 1.542 -8.280 622 1HE LYS 84 1HE LYS 84 -9.209 2.317 -8.787 623 2HE LYS 84 2HE LYS 84 -9.912 0.754 -9.193 624 1HZ LYS 84 1HZ LYS 84 -9.801 2.295 -11.089 625 2HZ LYS 84 2HZ LYS 84 -10.812 3.369 -10.312 626 3HZ LYS 84 3HZ LYS 84 -11.385 1.849 -10.757 627 H GLY 85 H GLY 85 -13.919 1.806 -5.818 628 1HA GLY 85 1HA GLY 85 -13.890 -0.327 -4.121 629 2HA GLY 85 2HA GLY 85 -14.423 -0.421 -5.787 630 H ASN 86 H ASN 86 -12.785 -0.988 -7.397 631 HA ASN 86 HA ASN 86 -11.205 -3.196 -6.415 632 1HB ASN 86 1HB ASN 86 -11.562 -2.125 -9.216 633 2HB ASN 86 2HB ASN 86 -10.618 -3.557 -8.818 634 1HD2 ASN 86 21HD ASN 86 -11.678 -5.487 -8.575 635 2HD2 ASN 86 22HD ASN 86 -13.385 -5.663 -8.613 636 H VAL 87 H VAL 87 -9.436 -2.695 -5.401 637 HA VAL 87 HA VAL 87 -7.574 -0.773 -6.636 638 HB VAL 87 HB VAL 87 -7.661 -1.592 -3.755 639 1HG1 VAL 87 11HG VAL 87 -5.532 -0.983 -4.508 640 2HG1 VAL 87 12HG VAL 87 -6.153 0.314 -3.461 641 3HG1 VAL 87 13HG VAL 87 -6.125 0.518 -5.231 642 1HG2 VAL 87 21HG VAL 87 -8.664 0.917 -5.057 643 2HG2 VAL 87 22HG VAL 87 -8.543 0.623 -3.311 644 3HG2 VAL 87 23HG VAL 87 -9.631 -0.355 -4.304 645 H ARG 88 H ARG 88 -5.875 -1.759 -7.534 646 HA ARG 88 HA ARG 88 -5.020 -4.347 -6.529 647 1HB ARG 88 1HB ARG 88 -3.959 -2.647 -8.757 648 2HB ARG 88 2HB ARG 88 -3.181 -4.125 -8.209 649 1HG ARG 88 1HG ARG 88 -4.374 -4.913 -9.922 650 2HG ARG 88 2HG ARG 88 -5.515 -5.147 -8.624 651 1HD ARG 88 1HD ARG 88 -6.605 -4.187 -10.603 652 2HD ARG 88 2HD ARG 88 -6.715 -3.129 -9.192 653 HE ARG 88 HE ARG 88 -4.782 -1.916 -10.207 654 1HH1 ARG 88 11HH ARG 88 -7.109 -3.622 -12.268 655 2HH1 ARG 88 12HH ARG 88 -6.781 -2.662 -13.638 656 1HH2 ARG 88 21HH ARG 88 -4.420 -0.538 -12.108 657 2HH2 ARG 88 22HH ARG 88 -5.277 -0.876 -13.532 658 H PHE 89 H PHE 89 -4.144 -4.231 -4.674 659 HA PHE 89 HA PHE 89 -2.081 -2.254 -4.129 660 1HB PHE 89 1HB PHE 89 -3.174 -4.511 -2.437 661 2HB PHE 89 2HB PHE 89 -1.952 -3.358 -1.939 662 HD1 PHE 89 HD1 PHE 89 -2.543 -1.125 -1.359 663 HD2 PHE 89 HD2 PHE 89 -5.484 -3.912 -2.591 664 HE1 PHE 89 HE1 PHE 89 -4.291 0.333 -0.460 665 HE2 PHE 89 HE2 PHE 89 -7.241 -2.451 -1.701 666 HZ PHE 89 HZ PHE 89 -6.643 -0.339 -0.623 667 H VAL 90 H VAL 90 -0.310 -2.853 -5.280 668 HA VAL 90 HA VAL 90 0.402 -5.661 -5.196 669 HB VAL 90 HB VAL 90 1.887 -3.406 -6.571 670 1HG1 VAL 90 11HG VAL 90 3.010 -5.196 -7.835 671 2HG1 VAL 90 12HG VAL 90 2.148 -6.394 -6.872 672 3HG1 VAL 90 13HG VAL 90 3.307 -5.314 -6.101 673 1HG2 VAL 90 21HG VAL 90 0.916 -4.212 -8.684 674 2HG2 VAL 90 22HG VAL 90 -0.325 -3.650 -7.562 675 3HG2 VAL 90 23HG VAL 90 -0.051 -5.379 -7.778 676 H ILE 91 H ILE 91 0.713 -5.702 -3.099 677 HA ILE 91 HA ILE 91 2.832 -4.157 -1.850 678 HB ILE 91 HB ILE 91 0.539 -5.861 -0.926 679 1HG1 ILE 91 11HG ILE 91 1.206 -2.989 -0.389 680 2HG1 ILE 91 12HG ILE 91 0.069 -3.533 -1.613 681 1HG2 ILE 91 21HG ILE 91 2.416 -6.382 0.551 682 2HG2 ILE 91 22HG ILE 91 1.102 -5.552 1.368 683 3HG2 ILE 91 23HG ILE 91 2.573 -4.663 0.947 684 1HD1 ILE 91 11HD ILE 91 -1.275 -4.503 0.068 685 2HD1 ILE 91 12HD ILE 91 -1.023 -2.749 0.283 686 3HD1 ILE 91 13HD ILE 91 -0.168 -3.909 1.327 687 H GLY 92 H GLY 92 4.395 -5.357 -0.648 688 1HA GLY 92 1HA GLY 92 4.566 -8.122 -1.486 689 2HA GLY 92 2HA GLY 92 5.995 -7.085 -1.557 690 H ARG 93 H ARG 93 5.813 -9.447 -0.007 691 HA ARG 93 HA ARG 93 6.128 -8.260 2.620 692 1HB ARG 93 1HB ARG 93 4.356 -10.516 1.897 693 2HB ARG 93 2HB ARG 93 5.250 -10.637 3.399 694 1HG ARG 93 1HG ARG 93 3.774 -8.134 2.826 695 2HG ARG 93 2HG ARG 93 2.851 -9.557 3.350 696 1HD ARG 93 1HD ARG 93 5.223 -8.379 4.809 697 2HD ARG 93 2HD ARG 93 3.537 -8.037 5.216 698 HE ARG 93 HE ARG 93 3.542 -10.673 5.293 699 1HH1 ARG 93 11HH ARG 93 5.821 -8.425 6.811 700 2HH1 ARG 93 12HH ARG 93 6.210 -9.467 8.092 701 1HH2 ARG 93 21HH ARG 93 4.065 -12.089 7.116 702 2HH2 ARG 93 22HH ARG 93 5.193 -11.560 8.270 703 H GLU 94 H GLU 94 7.451 -9.190 3.988 704 HA GLU 94 HA GLU 94 9.127 -11.426 3.295 705 1HB GLU 94 1HB GLU 94 10.047 -8.638 4.044 706 2HB GLU 94 2HB GLU 94 11.039 -10.056 4.330 707 1HG GLU 94 1HG GLU 94 9.961 -9.290 1.673 708 2HG GLU 94 2HG GLU 94 11.545 -8.747 2.237 Start of MODEL 14 1 1H GLY 1 1H GLY 1 12.904 -15.105 -3.783 2 2H GLY 1 2H GLY 1 12.405 -15.272 -5.390 3 3H GLY 1 3H GLY 1 11.475 -14.377 -4.288 4 1HA GLY 1 1HA GLY 1 14.193 -13.651 -5.167 5 2HA GLY 1 2HA GLY 1 12.701 -12.907 -5.736 6 H HIS 2 H HIS 2 14.384 -11.185 -4.687 7 HA HIS 2 HA HIS 2 14.232 -10.888 -1.867 8 1HB HIS 2 1HB HIS 2 14.889 -8.859 -4.026 9 2HB HIS 2 2HB HIS 2 15.067 -8.569 -2.304 10 HD1 HIS 2 HD1 HIS 2 16.725 -10.265 -5.211 11 HD2 HIS 2 HD2 HIS 2 17.261 -9.823 -1.106 12 HE1 HIS 2 HE1 HIS 2 19.063 -11.030 -4.727 13 H MET 3 H MET 3 12.250 -10.752 -1.001 14 HA MET 3 HA MET 3 10.285 -9.929 -0.339 15 1HB MET 3 1HB MET 3 11.371 -7.769 -0.426 16 2HB MET 3 2HB MET 3 10.991 -7.621 -2.127 17 1HG MET 3 1HG MET 3 8.616 -7.510 -1.605 18 2HG MET 3 2HG MET 3 8.979 -7.663 0.123 19 1HE MET 3 1HE MET 3 7.750 -5.438 0.790 20 2HE MET 3 2HE MET 3 7.216 -5.274 -0.881 21 3HE MET 3 3HE MET 3 7.964 -3.906 -0.057 22 H GLU 4 H GLU 4 8.479 -10.866 -0.880 23 HA GLU 4 HA GLU 4 7.989 -11.454 -3.679 24 1HB GLU 4 1HB GLU 4 7.637 -13.216 -1.950 25 2HB GLU 4 2HB GLU 4 6.408 -12.190 -1.227 26 1HG GLU 4 1HG GLU 4 5.055 -12.369 -3.245 27 2HG GLU 4 2HG GLU 4 6.295 -13.375 -3.984 28 H LEU 5 H LEU 5 7.163 -9.786 -4.789 29 HA LEU 5 HA LEU 5 5.179 -8.103 -3.561 30 1HB LEU 5 1HB LEU 5 6.133 -8.111 -6.435 31 2HB LEU 5 2HB LEU 5 5.145 -6.887 -5.673 32 HG LEU 5 HG LEU 5 7.200 -5.898 -5.786 33 1HD1 LEU 5 11HD LEU 5 6.301 -5.679 -3.588 34 2HD1 LEU 5 12HD LEU 5 8.072 -5.654 -3.579 35 3HD1 LEU 5 13HD LEU 5 7.206 -7.116 -3.094 36 1HD2 LEU 5 21HD LEU 5 9.341 -6.913 -5.243 37 2HD2 LEU 5 22HD LEU 5 8.505 -7.822 -6.507 38 3HD2 LEU 5 23HD LEU 5 8.528 -8.426 -4.852 39 H PHE 6 H PHE 6 3.041 -8.332 -3.805 40 HA PHE 6 HA PHE 6 2.090 -10.093 -5.869 41 1HB PHE 6 1HB PHE 6 0.449 -10.955 -4.105 42 2HB PHE 6 2HB PHE 6 2.039 -11.706 -4.177 43 HD1 PHE 6 HD1 PHE 6 -0.250 -9.472 -2.459 44 HD2 PHE 6 HD2 PHE 6 3.470 -11.455 -2.246 45 HE1 PHE 6 HE1 PHE 6 -0.117 -8.937 -0.037 46 HE2 PHE 6 HE2 PHE 6 3.641 -10.950 0.137 47 HZ PHE 6 HZ PHE 6 1.842 -9.677 1.261 48 HA PRO 7 HA PRO 7 -1.018 -6.979 -6.089 49 1HB PRO 7 1HB PRO 7 -2.613 -8.111 -7.821 50 2HB PRO 7 2HB PRO 7 -1.025 -7.512 -8.293 51 1HG PRO 7 1HG PRO 7 -1.868 -10.353 -7.746 52 2HG PRO 7 2HG PRO 7 -0.760 -9.750 -9.009 53 1HD PRO 7 1HD PRO 7 -0.056 -10.875 -6.560 54 2HD PRO 7 2HD PRO 7 0.991 -9.835 -7.564 55 H VAL 8 H VAL 8 -2.443 -6.673 -4.580 56 HA VAL 8 HA VAL 8 -4.394 -8.769 -4.032 57 HB VAL 8 HB VAL 8 -3.788 -6.355 -2.290 58 1HG1 VAL 8 11HG VAL 8 -5.988 -7.180 -1.970 59 2HG1 VAL 8 12HG VAL 8 -4.999 -7.534 -0.549 60 3HG1 VAL 8 13HG VAL 8 -5.377 -8.814 -1.709 61 1HG2 VAL 8 21HG VAL 8 -2.803 -9.175 -1.953 62 2HG2 VAL 8 22HG VAL 8 -2.581 -7.854 -0.793 63 3HG2 VAL 8 23HG VAL 8 -1.839 -7.764 -2.400 64 H GLU 9 H GLU 9 -6.146 -8.266 -5.314 65 HA GLU 9 HA GLU 9 -6.618 -5.437 -5.752 66 1HB GLU 9 1HB GLU 9 -6.641 -6.964 -7.743 67 2HB GLU 9 2HB GLU 9 -8.070 -7.737 -7.050 68 1HG GLU 9 1HG GLU 9 -9.139 -5.470 -7.007 69 2HG GLU 9 2HG GLU 9 -7.776 -4.893 -7.959 70 H LEU 10 H LEU 10 -7.574 -4.690 -4.102 71 HA LEU 10 HA LEU 10 -9.420 -6.379 -2.650 72 1HB LEU 10 1HB LEU 10 -7.540 -4.494 -1.983 73 2HB LEU 10 2HB LEU 10 -9.044 -3.609 -1.843 74 HG LEU 10 HG LEU 10 -8.289 -6.110 -0.306 75 1HD1 LEU 10 11HD LEU 10 -7.113 -4.181 0.308 76 2HD1 LEU 10 12HD LEU 10 -8.268 -4.689 1.561 77 3HD1 LEU 10 13HD LEU 10 -8.634 -3.295 0.509 78 1HD2 LEU 10 21HD LEU 10 -10.793 -4.452 -0.299 79 2HD2 LEU 10 22HD LEU 10 -10.342 -5.605 0.954 80 3HD2 LEU 10 23HD LEU 10 -10.612 -6.169 -0.703 81 H GLU 11 H GLU 11 -11.517 -5.480 -2.192 82 HA GLU 11 HA GLU 11 -12.401 -3.565 -4.184 83 1HB GLU 11 1HB GLU 11 -13.181 -5.751 -4.887 84 2HB GLU 11 2HB GLU 11 -13.829 -6.071 -3.289 85 1HG GLU 11 1HG GLU 11 -15.484 -4.332 -3.579 86 2HG GLU 11 2HG GLU 11 -14.785 -3.907 -5.143 87 H LYS 12 H LYS 12 -12.464 -1.892 -2.989 88 HA LYS 12 HA LYS 12 -13.737 -2.024 -0.416 89 1HB LYS 12 1HB LYS 12 -11.787 -0.256 -1.708 90 2HB LYS 12 2HB LYS 12 -12.795 0.489 -0.497 91 1HG LYS 12 1HG LYS 12 -10.942 -1.878 -0.207 92 2HG LYS 12 2HG LYS 12 -10.726 -0.268 0.480 93 1HD LYS 12 1HD LYS 12 -13.260 -1.316 1.234 94 2HD LYS 12 2HD LYS 12 -12.001 -2.494 1.707 95 1HE LYS 12 1HE LYS 12 -12.355 -1.192 3.544 96 2HE LYS 12 2HE LYS 12 -10.968 -0.440 2.847 97 1HZ LYS 12 1HZ LYS 12 -12.423 1.327 1.800 98 2HZ LYS 12 2HZ LYS 12 -12.676 1.287 3.460 99 3HZ LYS 12 3HZ LYS 12 -13.772 0.584 2.449 100 H ASP 13 H ASP 13 -14.515 0.378 -0.010 101 HA ASP 13 HA ASP 13 -16.948 0.796 -1.371 102 1HB ASP 13 1HB ASP 13 -15.436 2.765 0.311 103 2HB ASP 13 2HB ASP 13 -17.159 2.625 0.106 104 H GLU 14 H GLU 14 -17.321 2.681 -2.622 105 HA GLU 14 HA GLU 14 -15.155 3.502 -4.285 106 1HB GLU 14 1HB GLU 14 -16.805 5.064 -5.314 107 2HB GLU 14 2HB GLU 14 -17.334 3.392 -5.278 108 1HG GLU 14 1HG GLU 14 -18.764 3.873 -3.365 109 2HG GLU 14 2HG GLU 14 -18.203 5.546 -3.369 110 H ASP 15 H ASP 15 -16.143 4.409 -1.289 111 HA ASP 15 HA ASP 15 -15.397 7.173 -1.219 112 1HB ASP 15 1HB ASP 15 -16.799 5.932 0.525 113 2HB ASP 15 2HB ASP 15 -15.295 5.223 1.088 114 H GLY 16 H GLY 16 -13.741 4.035 -0.655 115 1HA GLY 16 1HA GLY 16 -11.402 4.286 -1.528 116 2HA GLY 16 2HA GLY 16 -11.259 5.489 -0.251 117 H LEU 17 H LEU 17 -9.816 4.450 0.969 118 HA LEU 17 HA LEU 17 -10.426 1.710 1.863 119 1HB LEU 17 1HB LEU 17 -7.915 3.225 2.411 120 2HB LEU 17 2HB LEU 17 -8.182 1.494 2.430 121 HG LEU 17 HG LEU 17 -8.091 3.262 0.053 122 1HD1 LEU 17 11HD LEU 17 -5.949 2.989 0.980 123 2HD1 LEU 17 12HD LEU 17 -6.033 1.965 -0.455 124 3HD1 LEU 17 13HD LEU 17 -6.167 1.252 1.151 125 1HD2 LEU 17 21HD LEU 17 -8.140 1.158 -1.271 126 2HD2 LEU 17 22HD LEU 17 -9.629 1.462 -0.383 127 3HD2 LEU 17 23HD LEU 17 -8.479 0.266 0.219 128 H GLY 18 H GLY 18 -9.451 4.896 2.915 129 1HA GLY 18 1HA GLY 18 -9.886 6.025 4.846 130 2HA GLY 18 2HA GLY 18 -10.776 4.623 5.437 131 H ILE 19 H ILE 19 -7.491 4.426 4.200 132 HA ILE 19 HA ILE 19 -6.715 3.571 6.917 133 HB ILE 19 HB ILE 19 -4.944 2.243 5.989 134 1HG1 ILE 19 11HG ILE 19 -5.709 3.317 3.260 135 2HG1 ILE 19 12HG ILE 19 -4.311 3.825 4.206 136 1HG2 ILE 19 21HG ILE 19 -7.182 1.255 5.957 137 2HG2 ILE 19 22HG ILE 19 -6.205 0.655 4.613 138 3HG2 ILE 19 23HG ILE 19 -7.439 1.885 4.335 139 1HD1 ILE 19 11HD ILE 19 -3.370 1.589 4.078 140 2HD1 ILE 19 12HD ILE 19 -3.689 2.215 2.461 141 3HD1 ILE 19 13HD ILE 19 -4.781 1.032 3.180 142 H SER 20 H SER 20 -4.093 3.682 6.972 143 HA SER 20 HA SER 20 -3.274 6.458 6.468 144 1HB SER 20 1HB SER 20 -2.954 4.907 9.055 145 2HB SER 20 2HB SER 20 -2.436 6.561 8.774 146 HG SER 20 HG SER 20 -4.778 6.854 8.220 147 H ILE 21 H ILE 21 -0.970 6.657 6.387 148 HA ILE 21 HA ILE 21 0.485 4.144 5.925 149 HB ILE 21 HB ILE 21 1.671 5.267 4.070 150 1HG1 ILE 21 11HG ILE 21 0.185 7.312 3.086 151 2HG1 ILE 21 12HG ILE 21 -0.154 7.507 4.778 152 1HG2 ILE 21 21HG ILE 21 -1.302 5.061 3.681 153 2HG2 ILE 21 22HG ILE 21 -0.122 3.760 3.533 154 3HG2 ILE 21 23HG ILE 21 -0.107 5.100 2.386 155 1HD1 ILE 21 11HD ILE 21 1.687 8.948 4.056 156 2HD1 ILE 21 12HD ILE 21 2.613 7.567 3.566 157 3HD1 ILE 21 13HD ILE 21 2.227 7.798 5.261 158 H ILE 22 H ILE 22 2.863 4.494 6.085 159 HA ILE 22 HA ILE 22 3.503 6.922 7.483 160 HB ILE 22 HB ILE 22 3.215 5.315 9.241 161 1HG1 ILE 22 11HG ILE 22 6.160 5.886 8.834 162 2HG1 ILE 22 12HG ILE 22 4.991 7.019 9.486 163 1HG2 ILE 22 21HG ILE 22 4.629 3.316 9.473 164 2HG2 ILE 22 22HG ILE 22 5.308 3.652 7.876 165 3HG2 ILE 22 23HG ILE 22 3.593 3.259 8.040 166 1HD1 ILE 22 11HD ILE 22 5.814 4.412 10.739 167 2HD1 ILE 22 12HD ILE 22 4.657 5.562 11.417 168 3HD1 ILE 22 13HD ILE 22 6.350 6.014 11.232 169 H GLY 23 H GLY 23 5.339 7.879 6.860 170 1HA GLY 23 1HA GLY 23 6.691 6.647 4.626 171 2HA GLY 23 2HA GLY 23 6.829 8.328 5.141 172 H MET 24 H MET 24 8.223 5.309 5.119 173 HA MET 24 HA MET 24 10.309 6.171 7.048 174 1HB MET 24 1HB MET 24 9.434 3.332 6.442 175 2HB MET 24 2HB MET 24 10.686 3.809 7.572 176 1HG MET 24 1HG MET 24 7.738 4.392 7.848 177 2HG MET 24 2HG MET 24 8.623 3.140 8.707 178 1HE MET 24 1HE MET 24 11.324 4.533 9.531 179 2HE MET 24 2HE MET 24 10.344 3.597 10.660 180 3HE MET 24 3HE MET 24 10.914 5.207 11.110 181 H GLY 25 H GLY 25 12.365 4.898 6.528 182 1HA GLY 25 1HA GLY 25 12.583 4.889 3.592 183 2HA GLY 25 2HA GLY 25 13.815 5.600 4.617 184 H VAL 26 H VAL 26 12.567 2.770 3.254 185 HA VAL 26 HA VAL 26 14.574 1.210 4.669 186 HB VAL 26 HB VAL 26 12.345 0.177 4.649 187 1HG1 VAL 26 11HG VAL 26 11.463 1.042 2.582 188 2HG1 VAL 26 12HG VAL 26 11.305 -0.714 2.642 189 3HG1 VAL 26 13HG VAL 26 12.569 0.028 1.658 190 1HG2 VAL 26 21HG VAL 26 14.318 -1.374 2.998 191 2HG2 VAL 26 22HG VAL 26 12.931 -2.065 3.836 192 3HG2 VAL 26 23HG VAL 26 14.236 -1.316 4.759 193 H GLY 27 H GLY 27 16.436 1.710 3.851 194 1HA GLY 27 1HA GLY 27 16.732 1.689 0.958 195 2HA GLY 27 2HA GLY 27 17.752 2.591 2.065 196 H ALA 28 H ALA 28 19.635 1.771 2.501 197 HA ALA 28 HA ALA 28 20.509 -0.499 1.050 198 1HB ALA 28 1HB ALA 28 22.013 1.195 3.024 199 2HB ALA 28 2HB ALA 28 21.861 1.515 1.296 200 3HB ALA 28 3HB ALA 28 22.717 0.080 1.858 201 H ASP 29 H ASP 29 19.489 -0.064 4.315 202 HA ASP 29 HA ASP 29 20.990 -2.160 5.498 203 1HB ASP 29 1HB ASP 29 19.898 -0.389 6.836 204 2HB ASP 29 2HB ASP 29 18.325 -1.045 6.384 205 H ALA 30 H ALA 30 18.069 -2.118 3.702 206 HA ALA 30 HA ALA 30 17.739 -4.995 4.183 207 1HB ALA 30 1HB ALA 30 15.862 -3.028 2.892 208 2HB ALA 30 2HB ALA 30 15.731 -3.665 4.532 209 3HB ALA 30 3HB ALA 30 15.525 -4.738 3.144 210 H GLY 31 H GLY 31 18.751 -2.685 1.876 211 1HA GLY 31 1HA GLY 31 19.984 -3.217 -0.092 212 2HA GLY 31 2HA GLY 31 19.271 -4.834 -0.005 213 H LEU 32 H LEU 32 17.295 -2.019 0.310 214 HA LEU 32 HA LEU 32 16.057 -2.923 -2.171 215 1HB LEU 32 1HB LEU 32 14.758 -1.539 0.144 216 2HB LEU 32 2HB LEU 32 13.942 -2.162 -1.290 217 HG LEU 32 HG LEU 32 15.173 -3.696 0.981 218 1HD1 LEU 32 11HD LEU 32 12.958 -2.917 1.403 219 2HD1 LEU 32 12HD LEU 32 12.948 -4.668 1.195 220 3HD1 LEU 32 13HD LEU 32 12.385 -3.620 -0.109 221 1HD2 LEU 32 21HD LEU 32 15.856 -4.876 -0.987 222 2HD2 LEU 32 22HD LEU 32 14.229 -4.790 -1.675 223 3HD2 LEU 32 23HD LEU 32 14.534 -5.776 -0.240 224 H GLU 33 H GLU 33 16.113 0.091 -0.206 225 HA GLU 33 HA GLU 33 16.244 2.262 -0.759 226 1HB GLU 33 1HB GLU 33 17.695 1.221 -3.191 227 2HB GLU 33 2HB GLU 33 17.596 2.926 -2.759 228 1HG GLU 33 1HG GLU 33 18.726 2.399 -0.616 229 2HG GLU 33 2HG GLU 33 18.894 0.734 -1.153 230 H LYS 34 H LYS 34 13.980 0.908 -1.303 231 HA LYS 34 HA LYS 34 12.904 2.534 -3.488 232 1HB LYS 34 1HB LYS 34 10.949 0.943 -3.526 233 2HB LYS 34 2HB LYS 34 12.461 0.201 -3.972 234 1HG LYS 34 1HG LYS 34 12.615 -0.952 -1.902 235 2HG LYS 34 2HG LYS 34 11.317 0.011 -1.210 236 1HD LYS 34 1HD LYS 34 10.679 -2.339 -1.892 237 2HD LYS 34 2HD LYS 34 9.669 -1.046 -2.529 238 1HE LYS 34 1HE LYS 34 10.135 -2.734 -4.235 239 2HE LYS 34 2HE LYS 34 10.822 -1.165 -4.649 240 1HZ LYS 34 1HZ LYS 34 13.012 -2.004 -3.970 241 2HZ LYS 34 2HZ LYS 34 12.339 -2.934 -5.158 242 3HZ LYS 34 3HZ LYS 34 12.350 -3.506 -3.591 243 H LEU 35 H LEU 35 10.250 2.334 -2.659 244 HA LEU 35 HA LEU 35 9.912 4.447 -0.927 245 1HB LEU 35 1HB LEU 35 7.591 3.775 -0.946 246 2HB LEU 35 2HB LEU 35 8.267 3.600 -2.553 247 HG LEU 35 HG LEU 35 8.664 1.134 -1.380 248 1HD1 LEU 35 11HD LEU 35 5.953 2.117 -0.593 249 2HD1 LEU 35 12HD LEU 35 7.267 1.548 0.448 250 3HD1 LEU 35 13HD LEU 35 6.455 0.433 -0.632 251 1HD2 LEU 35 21HD LEU 35 8.102 1.476 -3.669 252 2HD2 LEU 35 22HD LEU 35 6.451 1.975 -3.243 253 3HD2 LEU 35 23HD LEU 35 7.015 0.325 -2.933 254 H GLY 36 H GLY 36 9.526 4.502 1.300 255 1HA GLY 36 1HA GLY 36 9.635 1.911 2.682 256 2HA GLY 36 2HA GLY 36 10.234 3.424 3.371 257 H ILE 37 H ILE 37 7.313 3.026 1.530 258 HA ILE 37 HA ILE 37 5.865 4.280 3.678 259 HB ILE 37 HB ILE 37 4.789 3.366 1.005 260 1HG1 ILE 37 11HG ILE 37 6.650 5.061 0.857 261 2HG1 ILE 37 12HG ILE 37 5.118 5.628 0.171 262 1HG2 ILE 37 21HG ILE 37 3.692 5.273 3.079 263 2HG2 ILE 37 22HG ILE 37 3.071 3.676 2.714 264 3HG2 ILE 37 23HG ILE 37 2.956 4.962 1.505 265 1HD1 ILE 37 11HD ILE 37 4.791 6.827 2.344 266 2HD1 ILE 37 12HD ILE 37 6.126 7.390 1.353 267 3HD1 ILE 37 13HD ILE 37 6.447 6.356 2.758 268 H PHE 38 H PHE 38 5.327 3.031 5.219 269 HA PHE 38 HA PHE 38 4.291 0.351 4.648 270 1HB PHE 38 1HB PHE 38 5.180 1.632 7.226 271 2HB PHE 38 2HB PHE 38 4.460 0.030 7.137 272 HD1 PHE 38 HD1 PHE 38 7.464 1.996 6.645 273 HD2 PHE 38 HD2 PHE 38 5.678 -1.808 6.012 274 HE1 PHE 38 HE1 PHE 38 9.689 1.027 6.233 275 HE2 PHE 38 HE2 PHE 38 7.897 -2.787 5.599 276 HZ PHE 38 HZ PHE 38 9.908 -1.370 5.711 277 H VAL 39 H VAL 39 2.378 -0.285 5.866 278 HA VAL 39 HA VAL 39 0.405 1.797 5.723 279 HB VAL 39 HB VAL 39 0.158 -1.081 6.690 280 1HG1 VAL 39 11HG VAL 39 -1.667 0.318 7.508 281 2HG1 VAL 39 12HG VAL 39 -2.256 -0.798 6.274 282 3HG1 VAL 39 13HG VAL 39 -1.976 0.898 5.872 283 1HG2 VAL 39 21HG VAL 39 0.903 -0.962 4.359 284 2HG2 VAL 39 22HG VAL 39 -0.433 0.106 3.975 285 3HG2 VAL 39 23HG VAL 39 -0.753 -1.562 4.453 286 H LYS 40 H LYS 40 -0.271 2.982 7.419 287 HA LYS 40 HA LYS 40 1.152 2.508 9.896 288 1HB LYS 40 1HB LYS 40 1.288 4.770 9.046 289 2HB LYS 40 2HB LYS 40 -0.449 4.889 8.973 290 1HG LYS 40 1HG LYS 40 0.267 6.215 10.805 291 2HG LYS 40 2HG LYS 40 -0.504 4.793 11.476 292 1HD LYS 40 1HD LYS 40 2.506 5.154 11.249 293 2HD LYS 40 2HD LYS 40 1.572 5.565 12.680 294 1HE LYS 40 1HE LYS 40 0.809 3.115 12.655 295 2HE LYS 40 2HE LYS 40 2.075 2.893 11.453 296 1HZ LYS 40 1HZ LYS 40 2.596 3.948 14.166 297 2HZ LYS 40 2HZ LYS 40 3.742 3.500 13.001 298 3HZ LYS 40 3HZ LYS 40 2.775 2.343 13.716 299 H THR 41 H THR 41 -2.135 2.724 8.671 300 HA THR 41 HA THR 41 -3.095 1.171 10.892 301 HB THR 41 HB THR 41 -4.566 3.637 10.330 302 HG1 THR 41 HG1 THR 41 -2.185 3.409 11.878 303 1HG2 THR 41 21HG THR 41 -4.231 1.996 12.841 304 2HG2 THR 41 22HG THR 41 -5.612 2.000 11.737 305 3HG2 THR 41 23HG THR 41 -5.259 3.426 12.715 306 H VAL 42 H VAL 42 -5.319 0.581 10.387 307 HA VAL 42 HA VAL 42 -6.015 1.086 7.618 308 HB VAL 42 HB VAL 42 -6.813 -1.379 9.238 309 1HG1 VAL 42 11HG VAL 42 -8.314 -0.933 7.419 310 2HG1 VAL 42 12HG VAL 42 -7.356 -2.354 7.004 311 3HG1 VAL 42 13HG VAL 42 -6.964 -0.777 6.306 312 1HG2 VAL 42 21HG VAL 42 -4.387 -1.423 8.960 313 2HG2 VAL 42 22HG VAL 42 -4.571 -1.179 7.223 314 3HG2 VAL 42 23HG VAL 42 -5.146 -2.669 7.968 315 H THR 43 H THR 43 -8.519 0.918 7.475 316 HA THR 43 HA THR 43 -9.730 2.694 9.322 317 HB THR 43 HB THR 43 -10.357 2.607 6.945 318 HG1 THR 43 HG1 THR 43 -12.129 3.370 7.740 319 1HG2 THR 43 21HG THR 43 -11.639 0.720 6.040 320 2HG2 THR 43 22HG THR 43 -11.451 -0.137 7.577 321 3HG2 THR 43 23HG THR 43 -10.039 0.210 6.585 322 H GLU 44 H GLU 44 -12.091 1.899 10.037 323 HA GLU 44 HA GLU 44 -11.859 0.339 12.318 324 1HB GLU 44 1HB GLU 44 -13.708 1.863 11.974 325 2HB GLU 44 2HB GLU 44 -14.309 0.871 10.651 326 1HG GLU 44 1HG GLU 44 -15.653 0.443 12.586 327 2HG GLU 44 2HG GLU 44 -14.623 -0.956 12.234 328 H GLY 45 H GLY 45 -13.650 -0.753 9.416 329 1HA GLY 45 1HA GLY 45 -12.333 -3.118 9.136 330 2HA GLY 45 2HA GLY 45 -13.539 -3.426 10.385 331 H GLY 46 H GLY 46 -13.591 -1.530 7.355 332 1HA GLY 46 1HA GLY 46 -15.897 -3.015 6.556 333 2HA GLY 46 2HA GLY 46 -15.130 -1.694 5.668 334 H ALA 47 H ALA 47 -14.913 -2.739 3.806 335 HA ALA 47 HA ALA 47 -14.306 -5.441 3.464 336 1HB ALA 47 1HB ALA 47 -14.092 -5.019 1.120 337 2HB ALA 47 2HB ALA 47 -13.912 -3.289 1.412 338 3HB ALA 47 3HB ALA 47 -15.433 -4.091 1.782 339 H ALA 48 H ALA 48 -12.066 -3.052 4.276 340 HA ALA 48 HA ALA 48 -9.780 -4.298 2.949 341 1HB ALA 48 1HB ALA 48 -8.402 -2.728 4.273 342 2HB ALA 48 2HB ALA 48 -9.849 -2.187 5.126 343 3HB ALA 48 3HB ALA 48 -9.681 -1.899 3.394 344 H GLN 49 H GLN 49 -10.511 -3.745 6.426 345 HA GLN 49 HA GLN 49 -8.951 -5.979 7.122 346 1HB GLN 49 1HB GLN 49 -10.796 -4.225 8.698 347 2HB GLN 49 2HB GLN 49 -9.964 -5.586 9.461 348 1HG GLN 49 1HG GLN 49 -7.817 -4.583 8.567 349 2HG GLN 49 2HG GLN 49 -8.792 -3.195 8.103 350 1HE2 GLN 49 21HE GLN 49 -10.452 -3.264 10.519 351 2HE2 GLN 49 22HE GLN 49 -9.422 -2.707 11.753 352 H ARG 50 H ARG 50 -12.152 -5.800 6.020 353 HA ARG 50 HA ARG 50 -12.908 -8.320 7.144 354 1HB ARG 50 1HB ARG 50 -14.117 -6.673 4.949 355 2HB ARG 50 2HB ARG 50 -14.742 -8.255 5.377 356 1HG ARG 50 1HG ARG 50 -14.478 -5.938 7.234 357 2HG ARG 50 2HG ARG 50 -15.988 -6.378 6.408 358 1HD ARG 50 1HD ARG 50 -15.848 -8.580 7.574 359 2HD ARG 50 2HD ARG 50 -14.424 -7.984 8.426 360 HE ARG 50 HE ARG 50 -16.880 -6.459 8.618 361 1HH1 ARG 50 11HH ARG 50 -14.541 -8.629 10.176 362 2HH1 ARG 50 12HH ARG 50 -15.174 -8.357 11.739 363 1HH2 ARG 50 21HH ARG 50 -17.732 -6.147 10.784 364 2HH2 ARG 50 22HH ARG 50 -16.995 -6.952 12.088 365 H ASP 51 H ASP 51 -11.251 -7.153 4.301 366 HA ASP 51 HA ASP 51 -11.451 -9.347 2.624 367 1HB ASP 51 1HB ASP 51 -10.357 -7.308 1.927 368 2HB ASP 51 2HB ASP 51 -9.046 -7.574 3.070 369 H GLY 52 H GLY 52 -8.832 -8.805 4.961 370 1HA GLY 52 1HA GLY 52 -8.243 -10.508 6.534 371 2HA GLY 52 2HA GLY 52 -8.843 -11.703 5.401 372 H ARG 53 H ARG 53 -7.178 -10.000 3.284 373 HA ARG 53 HA ARG 53 -4.688 -11.473 3.810 374 1HB ARG 53 1HB ARG 53 -5.930 -11.510 1.568 375 2HB ARG 53 2HB ARG 53 -5.408 -9.853 1.378 376 1HG ARG 53 1HG ARG 53 -3.465 -12.120 1.772 377 2HG ARG 53 2HG ARG 53 -4.078 -11.681 0.189 378 1HD ARG 53 1HD ARG 53 -2.190 -10.460 0.148 379 2HD ARG 53 2HD ARG 53 -3.180 -9.277 0.989 380 HE ARG 53 HE ARG 53 -1.510 -11.146 2.524 381 1HH1 ARG 53 11HH ARG 53 -2.091 -7.812 1.454 382 2HH1 ARG 53 12HH ARG 53 -1.009 -7.154 2.624 383 1HH2 ARG 53 21HH ARG 53 0.105 -10.154 3.990 384 2HH2 ARG 53 22HH ARG 53 0.291 -8.454 3.953 385 H ILE 54 H ILE 54 -5.672 -8.204 2.850 386 HA ILE 54 HA ILE 54 -3.072 -7.171 3.294 387 HB ILE 54 HB ILE 54 -4.887 -6.095 1.813 388 1HG1 ILE 54 11HG ILE 54 -3.545 -4.208 3.775 389 2HG1 ILE 54 12HG ILE 54 -2.685 -5.015 2.472 390 1HG2 ILE 54 21HG ILE 54 -6.726 -6.070 3.399 391 2HG2 ILE 54 22HG ILE 54 -6.320 -4.388 3.009 392 3HG2 ILE 54 23HG ILE 54 -5.757 -5.122 4.522 393 1HD1 ILE 54 11HD ILE 54 -3.265 -2.716 1.911 394 2HD1 ILE 54 12HD ILE 54 -4.986 -3.098 2.099 395 3HD1 ILE 54 13HD ILE 54 -4.029 -3.868 0.831 396 H GLN 55 H GLN 55 -2.215 -5.977 4.976 397 HA GLN 55 HA GLN 55 -3.803 -5.813 7.368 398 1HB GLN 55 1HB GLN 55 -1.760 -6.745 8.651 399 2HB GLN 55 2HB GLN 55 -2.802 -7.880 7.799 400 1HG GLN 55 1HG GLN 55 -1.267 -8.007 5.974 401 2HG GLN 55 2HG GLN 55 -0.283 -6.725 6.662 402 1HE2 GLN 55 21HE GLN 55 1.431 -8.016 6.553 403 2HE2 GLN 55 22HE GLN 55 1.750 -9.301 7.677 404 H VAL 56 H VAL 56 -2.378 -4.710 9.161 405 HA VAL 56 HA VAL 56 -1.576 -2.146 8.121 406 HB VAL 56 HB VAL 56 -2.801 -2.666 10.335 407 1HG1 VAL 56 11HG VAL 56 0.014 -3.118 11.307 408 2HG1 VAL 56 12HG VAL 56 -1.272 -4.301 11.248 409 3HG1 VAL 56 13HG VAL 56 -1.401 -2.916 12.341 410 1HG2 VAL 56 21HG VAL 56 -2.159 -0.417 9.750 411 2HG2 VAL 56 22HG VAL 56 -0.513 -0.710 10.308 412 3HG2 VAL 56 23HG VAL 56 -1.846 -0.691 11.461 413 H ASN 57 H ASN 57 0.008 -5.002 8.522 414 HA ASN 57 HA ASN 57 2.546 -3.834 9.325 415 1HB ASN 57 1HB ASN 57 1.780 -5.963 10.357 416 2HB ASN 57 2HB ASN 57 1.826 -6.727 8.774 417 1HD2 ASN 57 21HD ASN 57 3.711 -5.439 11.402 418 2HD2 ASN 57 22HD ASN 57 5.194 -6.197 10.936 419 H ASP 58 H ASP 58 0.897 -4.109 6.537 420 HA ASP 58 HA ASP 58 2.986 -5.147 4.851 421 1HB ASP 58 1HB ASP 58 0.327 -3.925 4.158 422 2HB ASP 58 2HB ASP 58 1.487 -4.534 2.988 423 H GLN 59 H GLN 59 3.325 -3.883 2.779 424 HA GLN 59 HA GLN 59 3.835 -1.062 3.302 425 1HB GLN 59 1HB GLN 59 5.967 -2.171 3.530 426 2HB GLN 59 2HB GLN 59 5.657 -3.132 2.086 427 1HG GLN 59 1HG GLN 59 5.864 -1.214 0.688 428 2HG GLN 59 2HG GLN 59 5.946 -0.141 2.078 429 1HE2 GLN 59 21HE GLN 59 7.825 0.027 3.188 430 2HE2 GLN 59 22HE GLN 59 9.332 -0.586 2.561 431 H ILE 60 H ILE 60 2.993 0.187 1.748 432 HA ILE 60 HA ILE 60 1.561 -1.059 -0.421 433 HB ILE 60 HB ILE 60 2.046 1.896 0.061 434 1HG1 ILE 60 11HG ILE 60 0.832 0.958 1.987 435 2HG1 ILE 60 12HG ILE 60 -0.231 1.954 0.993 436 1HG2 ILE 60 21HG ILE 60 1.408 1.184 -2.223 437 2HG2 ILE 60 22HG ILE 60 0.239 2.271 -1.474 438 3HG2 ILE 60 23HG ILE 60 -0.083 0.534 -1.552 439 1HD1 ILE 60 11HD ILE 60 -0.133 -1.046 1.016 440 2HD1 ILE 60 12HD ILE 60 -1.182 -0.059 -0.002 441 3HD1 ILE 60 13HD ILE 60 -1.381 -0.037 1.751 442 H VAL 61 H VAL 61 2.839 -1.779 -2.071 443 HA VAL 61 HA VAL 61 5.263 -0.334 -2.710 444 HB VAL 61 HB VAL 61 4.149 -2.929 -3.794 445 1HG1 VAL 61 11HG VAL 61 5.603 -1.933 -5.439 446 2HG1 VAL 61 12HG VAL 61 6.271 -3.396 -4.712 447 3HG1 VAL 61 13HG VAL 61 6.902 -1.807 -4.229 448 1HG2 VAL 61 21HG VAL 61 6.333 -2.427 -1.789 449 2HG2 VAL 61 22HG VAL 61 5.872 -4.001 -2.441 450 3HG2 VAL 61 23HG VAL 61 4.727 -3.082 -1.466 451 H GLU 62 H GLU 62 2.332 -1.309 -4.362 452 HA GLU 62 HA GLU 62 2.451 1.070 -6.042 453 1HB GLU 62 1HB GLU 62 3.666 -0.610 -7.341 454 2HB GLU 62 2HB GLU 62 2.330 -1.730 -7.171 455 1HG GLU 62 1HG GLU 62 0.889 -0.104 -8.359 456 2HG GLU 62 2HG GLU 62 2.324 0.878 -8.639 457 H VAL 63 H VAL 63 0.411 1.837 -5.985 458 HA VAL 63 HA VAL 63 -1.734 -0.115 -5.727 459 HB VAL 63 HB VAL 63 -1.416 2.560 -4.381 460 1HG1 VAL 63 11HG VAL 63 -4.096 1.315 -5.070 461 2HG1 VAL 63 12HG VAL 63 -3.466 2.833 -5.728 462 3HG1 VAL 63 13HG VAL 63 -3.836 2.702 -4.001 463 1HG2 VAL 63 21HG VAL 63 -1.037 0.422 -3.274 464 2HG2 VAL 63 22HG VAL 63 -2.706 -0.031 -3.605 465 3HG2 VAL 63 23HG VAL 63 -2.358 1.342 -2.552 466 H ASP 64 H ASP 64 -3.031 -0.303 -7.231 467 HA ASP 64 HA ASP 64 -4.425 0.050 -8.921 468 1HB ASP 64 1HB ASP 64 -5.038 2.187 -7.801 469 2HB ASP 64 2HB ASP 64 -3.804 3.009 -8.742 470 H GLY 65 H GLY 65 -1.344 0.580 -9.061 471 1HA GLY 65 1HA GLY 65 0.075 0.018 -10.900 472 2HA GLY 65 2HA GLY 65 -1.202 0.577 -11.985 473 H ILE 66 H ILE 66 -0.801 2.644 -9.347 474 HA ILE 66 HA ILE 66 0.075 4.796 -10.986 475 HB ILE 66 HB ILE 66 -1.408 4.810 -8.760 476 1HG1 ILE 66 11HG ILE 66 0.638 6.961 -9.328 477 2HG1 ILE 66 12HG ILE 66 -0.843 6.724 -10.255 478 1HG2 ILE 66 21HG ILE 66 1.375 5.247 -7.679 479 2HG2 ILE 66 22HG ILE 66 0.314 3.889 -7.300 480 3HG2 ILE 66 23HG ILE 66 -0.133 5.529 -6.805 481 1HD1 ILE 66 11HD ILE 66 -0.618 7.436 -7.369 482 2HD1 ILE 66 12HD ILE 66 -2.138 7.153 -8.221 483 3HD1 ILE 66 13HD ILE 66 -1.108 8.524 -8.670 484 H SER 67 H SER 67 1.715 2.465 -9.208 485 HA SER 67 HA SER 67 3.802 2.123 -8.412 486 1HB SER 67 1HB SER 67 5.643 2.642 -10.057 487 2HB SER 67 2HB SER 67 4.263 1.785 -10.749 488 HG SER 67 HG SER 67 4.004 4.488 -10.835 489 H LEU 68 H LEU 68 3.876 3.147 -6.543 490 HA LEU 68 HA LEU 68 4.685 5.949 -6.529 491 1HB LEU 68 1HB LEU 68 3.899 5.918 -4.208 492 2HB LEU 68 2HB LEU 68 2.659 5.430 -5.344 493 HG LEU 68 HG LEU 68 3.890 3.081 -4.562 494 1HD1 LEU 68 11HD LEU 68 4.958 4.224 -2.747 495 2HD1 LEU 68 12HD LEU 68 3.745 3.094 -2.133 496 3HD1 LEU 68 13HD LEU 68 3.408 4.833 -2.169 497 1HD2 LEU 68 21HD LEU 68 1.611 3.395 -5.127 498 2HD2 LEU 68 22HD LEU 68 1.315 4.331 -3.649 499 3HD2 LEU 68 23HD LEU 68 1.744 2.609 -3.558 500 H VAL 69 H VAL 69 6.213 3.432 -6.846 501 HA VAL 69 HA VAL 69 7.977 3.024 -4.708 502 HB VAL 69 HB VAL 69 8.676 2.665 -7.634 503 1HG1 VAL 69 11HG VAL 69 9.791 1.347 -5.171 504 2HG1 VAL 69 12HG VAL 69 10.613 2.542 -6.171 505 3HG1 VAL 69 13HG VAL 69 10.235 0.947 -6.828 506 1HG2 VAL 69 21HG VAL 69 7.343 0.707 -5.745 507 2HG2 VAL 69 22HG VAL 69 7.921 0.328 -7.369 508 3HG2 VAL 69 23HG VAL 69 6.605 1.477 -7.149 509 H GLY 70 H GLY 70 8.774 4.808 -3.781 510 1HA GLY 70 1HA GLY 70 10.948 5.942 -3.673 511 2HA GLY 70 2HA GLY 70 10.721 6.352 -5.367 512 H VAL 71 H VAL 71 7.800 6.601 -3.673 513 HA VAL 71 HA VAL 71 8.086 9.488 -3.721 514 HB VAL 71 HB VAL 71 5.713 9.652 -3.626 515 1HG1 VAL 71 11HG VAL 71 5.022 8.416 -5.603 516 2HG1 VAL 71 12HG VAL 71 6.456 7.409 -5.471 517 3HG1 VAL 71 13HG VAL 71 6.624 9.135 -5.807 518 1HG2 VAL 71 21HG VAL 71 5.276 7.918 -1.944 519 2HG2 VAL 71 22HG VAL 71 5.618 6.668 -3.134 520 3HG2 VAL 71 23HG VAL 71 4.222 7.733 -3.342 521 H THR 72 H THR 72 6.706 10.622 -1.964 522 HA THR 72 HA THR 72 7.644 9.712 0.640 523 HB THR 72 HB THR 72 6.688 12.023 1.249 524 HG1 THR 72 HG1 THR 72 7.160 12.718 -1.431 525 1HG2 THR 72 21HG THR 72 9.081 11.814 -0.617 526 2HG2 THR 72 22HG THR 72 9.112 11.531 1.121 527 3HG2 THR 72 23HG THR 72 8.774 13.143 0.499 528 H GLN 73 H GLN 73 6.156 10.381 2.374 529 HA GLN 73 HA GLN 73 3.974 8.704 2.334 530 1HB GLN 73 1HB GLN 73 3.573 9.393 4.576 531 2HB GLN 73 2HB GLN 73 5.290 9.496 4.312 532 1HG GLN 73 1HG GLN 73 3.350 11.726 4.357 533 2HG GLN 73 2HG GLN 73 4.464 11.326 5.667 534 1HE2 GLN 73 21HE GLN 73 6.795 11.405 5.029 535 2HE2 GLN 73 22HE GLN 73 7.250 12.634 3.941 536 H ASN 74 H ASN 74 4.187 12.096 1.613 537 HA ASN 74 HA ASN 74 1.411 12.529 1.752 538 1HB ASN 74 1HB ASN 74 1.832 14.716 0.677 539 2HB ASN 74 2HB ASN 74 2.917 14.427 2.026 540 1HD2 ASN 74 21HD ASN 74 5.093 14.262 1.628 541 2HD2 ASN 74 22HD ASN 74 5.794 14.593 0.095 542 H PHE 75 H PHE 75 3.550 11.631 -0.869 543 HA PHE 75 HA PHE 75 1.552 11.898 -2.876 544 1HB PHE 75 1HB PHE 75 4.014 11.759 -3.387 545 2HB PHE 75 2HB PHE 75 3.943 10.069 -2.899 546 HD1 PHE 75 HD1 PHE 75 3.325 12.429 -5.566 547 HD2 PHE 75 HD2 PHE 75 2.570 8.412 -4.303 548 HE1 PHE 75 HE1 PHE 75 2.719 11.800 -7.867 549 HE2 PHE 75 HE2 PHE 75 1.982 7.797 -6.587 550 HZ PHE 75 HZ PHE 75 2.050 9.488 -8.381 551 H ALA 76 H ALA 76 2.870 9.191 -0.984 552 HA ALA 76 HA ALA 76 1.221 7.228 -2.064 553 1HB ALA 76 1HB ALA 76 2.441 7.306 0.687 554 2HB ALA 76 2HB ALA 76 3.232 6.760 -0.798 555 3HB ALA 76 3HB ALA 76 1.841 5.877 -0.166 556 H ALA 77 H ALA 77 0.744 9.262 0.828 557 HA ALA 77 HA ALA 77 -1.638 8.193 1.753 558 1HB ALA 77 1HB ALA 77 -0.788 11.085 1.725 559 2HB ALA 77 2HB ALA 77 -0.390 9.902 2.972 560 3HB ALA 77 3HB ALA 77 -2.063 10.408 2.730 561 H THR 78 H THR 78 -1.075 10.627 -0.693 562 HA THR 78 HA THR 78 -3.731 11.250 -1.334 563 HB THR 78 HB THR 78 -1.211 11.300 -2.958 564 HG1 THR 78 HG1 THR 78 -1.029 12.692 -1.253 565 1HG2 THR 78 21HG THR 78 -2.357 12.917 -4.443 566 2HG2 THR 78 22HG THR 78 -3.854 12.645 -3.540 567 3HG2 THR 78 23HG THR 78 -3.106 11.318 -4.441 568 H VAL 79 H VAL 79 -1.550 8.781 -2.638 569 HA VAL 79 HA VAL 79 -3.278 7.790 -4.624 570 HB VAL 79 HB VAL 79 -1.210 6.198 -3.084 571 1HG1 VAL 79 11HG VAL 79 -2.773 4.810 -4.369 572 2HG1 VAL 79 12HG VAL 79 -1.164 4.751 -5.072 573 3HG1 VAL 79 13HG VAL 79 -2.419 5.730 -5.821 574 1HG2 VAL 79 21HG VAL 79 0.268 6.751 -5.016 575 2HG2 VAL 79 22HG VAL 79 -0.157 8.111 -3.985 576 3HG2 VAL 79 23HG VAL 79 -0.964 7.917 -5.534 577 H LEU 80 H LEU 80 -2.678 6.628 -1.325 578 HA LEU 80 HA LEU 80 -4.725 4.651 -1.370 579 1HB LEU 80 1HB LEU 80 -3.238 5.916 0.936 580 2HB LEU 80 2HB LEU 80 -4.466 4.701 1.177 581 HG LEU 80 HG LEU 80 -2.363 3.626 1.381 582 1HD1 LEU 80 11HD LEU 80 -3.437 2.957 -1.328 583 2HD1 LEU 80 12HD LEU 80 -3.983 2.325 0.225 584 3HD1 LEU 80 13HD LEU 80 -2.359 1.956 -0.354 585 1HD2 LEU 80 21HD LEU 80 -0.620 3.623 -0.299 586 2HD2 LEU 80 22HD LEU 80 -0.959 5.269 0.241 587 3HD2 LEU 80 23HD LEU 80 -1.575 4.703 -1.309 588 H ARG 81 H ARG 81 -4.961 7.884 -1.278 589 HA ARG 81 HA ARG 81 -7.563 7.915 0.048 590 1HB ARG 81 1HB ARG 81 -6.123 9.605 0.875 591 2HB ARG 81 2HB ARG 81 -5.611 10.071 -0.725 592 1HG ARG 81 1HG ARG 81 -8.467 10.440 -0.290 593 2HG ARG 81 2HG ARG 81 -7.451 11.382 0.806 594 1HD ARG 81 1HD ARG 81 -7.019 11.297 -2.170 595 2HD ARG 81 2HD ARG 81 -8.015 12.542 -1.375 596 HE ARG 81 HE ARG 81 -5.377 12.271 -0.310 597 1HH1 ARG 81 11HH ARG 81 -7.327 13.812 -2.833 598 2HH1 ARG 81 12HH ARG 81 -6.198 15.046 -3.150 599 1HH2 ARG 81 21HH ARG 81 -3.793 13.975 -0.781 600 2HH2 ARG 81 22HH ARG 81 -4.167 15.157 -1.935 601 H ASN 82 H ASN 82 -6.116 8.025 -3.058 602 HA ASN 82 HA ASN 82 -8.523 9.005 -4.359 603 1HB ASN 82 1HB ASN 82 -5.757 8.475 -5.258 604 2HB ASN 82 2HB ASN 82 -7.029 8.307 -6.464 605 1HD2 ASN 82 21HD ASN 82 -5.480 10.474 -4.242 606 2HD2 ASN 82 22HD ASN 82 -6.061 11.922 -4.995 607 H THR 83 H THR 83 -7.617 6.206 -3.121 608 HA THR 83 HA THR 83 -8.158 4.238 -4.984 609 HB THR 83 HB THR 83 -8.737 2.924 -2.884 610 HG1 THR 83 HG1 THR 83 -9.164 5.206 -1.935 611 1HG2 THR 83 21HG THR 83 -6.493 2.953 -3.909 612 2HG2 THR 83 22HG THR 83 -6.377 2.944 -2.152 613 3HG2 THR 83 23HG THR 83 -6.118 4.442 -3.045 614 H LYS 84 H LYS 84 -9.961 2.885 -5.171 615 HA LYS 84 HA LYS 84 -12.545 3.862 -4.358 616 1HB LYS 84 1HB LYS 84 -13.304 3.191 -6.790 617 2HB LYS 84 2HB LYS 84 -12.625 4.777 -6.510 618 1HG LYS 84 1HG LYS 84 -11.762 3.929 -8.556 619 2HG LYS 84 2HG LYS 84 -10.454 3.919 -7.377 620 1HD LYS 84 1HD LYS 84 -10.801 1.492 -7.072 621 2HD LYS 84 2HD LYS 84 -12.087 1.542 -8.280 622 1HE LYS 84 1HE LYS 84 -9.209 2.317 -8.787 623 2HE LYS 84 2HE LYS 84 -9.912 0.754 -9.193 624 1HZ LYS 84 1HZ LYS 84 -9.801 2.295 -11.089 625 2HZ LYS 84 2HZ LYS 84 -10.812 3.369 -10.312 626 3HZ LYS 84 3HZ LYS 84 -11.385 1.849 -10.757 627 H GLY 85 H GLY 85 -13.919 1.806 -5.818 628 1HA GLY 85 1HA GLY 85 -13.890 -0.327 -4.121 629 2HA GLY 85 2HA GLY 85 -14.423 -0.421 -5.787 630 H ASN 86 H ASN 86 -12.785 -0.988 -7.397 631 HA ASN 86 HA ASN 86 -11.205 -3.196 -6.415 632 1HB ASN 86 1HB ASN 86 -11.562 -2.125 -9.216 633 2HB ASN 86 2HB ASN 86 -10.618 -3.557 -8.818 634 1HD2 ASN 86 21HD ASN 86 -11.678 -5.487 -8.575 635 2HD2 ASN 86 22HD ASN 86 -13.385 -5.663 -8.613 636 H VAL 87 H VAL 87 -9.436 -2.695 -5.401 637 HA VAL 87 HA VAL 87 -7.574 -0.773 -6.636 638 HB VAL 87 HB VAL 87 -7.661 -1.592 -3.755 639 1HG1 VAL 87 11HG VAL 87 -5.532 -0.983 -4.508 640 2HG1 VAL 87 12HG VAL 87 -6.153 0.314 -3.461 641 3HG1 VAL 87 13HG VAL 87 -6.125 0.518 -5.231 642 1HG2 VAL 87 21HG VAL 87 -8.664 0.917 -5.057 643 2HG2 VAL 87 22HG VAL 87 -8.543 0.623 -3.311 644 3HG2 VAL 87 23HG VAL 87 -9.631 -0.355 -4.304 645 H ARG 88 H ARG 88 -5.875 -1.759 -7.534 646 HA ARG 88 HA ARG 88 -5.020 -4.347 -6.529 647 1HB ARG 88 1HB ARG 88 -3.959 -2.647 -8.757 648 2HB ARG 88 2HB ARG 88 -3.181 -4.125 -8.209 649 1HG ARG 88 1HG ARG 88 -4.374 -4.913 -9.922 650 2HG ARG 88 2HG ARG 88 -5.515 -5.147 -8.624 651 1HD ARG 88 1HD ARG 88 -6.605 -4.187 -10.603 652 2HD ARG 88 2HD ARG 88 -6.715 -3.129 -9.192 653 HE ARG 88 HE ARG 88 -4.782 -1.916 -10.207 654 1HH1 ARG 88 11HH ARG 88 -7.109 -3.622 -12.268 655 2HH1 ARG 88 12HH ARG 88 -6.781 -2.662 -13.638 656 1HH2 ARG 88 21HH ARG 88 -4.420 -0.538 -12.108 657 2HH2 ARG 88 22HH ARG 88 -5.277 -0.876 -13.532 658 H PHE 89 H PHE 89 -4.144 -4.231 -4.674 659 HA PHE 89 HA PHE 89 -2.081 -2.254 -4.129 660 1HB PHE 89 1HB PHE 89 -3.174 -4.511 -2.437 661 2HB PHE 89 2HB PHE 89 -1.952 -3.358 -1.939 662 HD1 PHE 89 HD1 PHE 89 -2.543 -1.125 -1.359 663 HD2 PHE 89 HD2 PHE 89 -5.484 -3.912 -2.591 664 HE1 PHE 89 HE1 PHE 89 -4.291 0.333 -0.460 665 HE2 PHE 89 HE2 PHE 89 -7.241 -2.451 -1.701 666 HZ PHE 89 HZ PHE 89 -6.643 -0.339 -0.623 667 H VAL 90 H VAL 90 -0.310 -2.853 -5.280 668 HA VAL 90 HA VAL 90 0.402 -5.661 -5.196 669 HB VAL 90 HB VAL 90 1.887 -3.406 -6.571 670 1HG1 VAL 90 11HG VAL 90 3.010 -5.196 -7.835 671 2HG1 VAL 90 12HG VAL 90 2.148 -6.394 -6.872 672 3HG1 VAL 90 13HG VAL 90 3.307 -5.314 -6.101 673 1HG2 VAL 90 21HG VAL 90 0.916 -4.212 -8.684 674 2HG2 VAL 90 22HG VAL 90 -0.325 -3.650 -7.562 675 3HG2 VAL 90 23HG VAL 90 -0.051 -5.379 -7.778 676 H ILE 91 H ILE 91 0.713 -5.702 -3.099 677 HA ILE 91 HA ILE 91 2.832 -4.157 -1.850 678 HB ILE 91 HB ILE 91 0.539 -5.861 -0.926 679 1HG1 ILE 91 11HG ILE 91 1.206 -2.989 -0.389 680 2HG1 ILE 91 12HG ILE 91 0.069 -3.533 -1.613 681 1HG2 ILE 91 21HG ILE 91 2.416 -6.382 0.551 682 2HG2 ILE 91 22HG ILE 91 1.102 -5.552 1.368 683 3HG2 ILE 91 23HG ILE 91 2.573 -4.663 0.947 684 1HD1 ILE 91 11HD ILE 91 -1.275 -4.503 0.068 685 2HD1 ILE 91 12HD ILE 91 -1.023 -2.749 0.283 686 3HD1 ILE 91 13HD ILE 91 -0.168 -3.909 1.327 687 H GLY 92 H GLY 92 4.395 -5.357 -0.648 688 1HA GLY 92 1HA GLY 92 4.566 -8.122 -1.486 689 2HA GLY 92 2HA GLY 92 5.995 -7.085 -1.557 690 H ARG 93 H ARG 93 5.813 -9.447 -0.007 691 HA ARG 93 HA ARG 93 6.128 -8.260 2.620 692 1HB ARG 93 1HB ARG 93 4.356 -10.516 1.897 693 2HB ARG 93 2HB ARG 93 5.250 -10.637 3.399 694 1HG ARG 93 1HG ARG 93 3.774 -8.134 2.826 695 2HG ARG 93 2HG ARG 93 2.851 -9.557 3.350 696 1HD ARG 93 1HD ARG 93 5.223 -8.379 4.809 697 2HD ARG 93 2HD ARG 93 3.537 -8.037 5.216 698 HE ARG 93 HE ARG 93 3.542 -10.673 5.293 699 1HH1 ARG 93 11HH ARG 93 5.821 -8.425 6.811 700 2HH1 ARG 93 12HH ARG 93 6.210 -9.467 8.092 701 1HH2 ARG 93 21HH ARG 93 4.065 -12.089 7.116 702 2HH2 ARG 93 22HH ARG 93 5.193 -11.560 8.270 703 H GLU 94 H GLU 94 7.451 -9.190 3.988 704 HA GLU 94 HA GLU 94 9.127 -11.426 3.295 705 1HB GLU 94 1HB GLU 94 10.047 -8.638 4.044 706 2HB GLU 94 2HB GLU 94 11.039 -10.056 4.330 707 1HG GLU 94 1HG GLU 94 9.961 -9.290 1.673 708 2HG GLU 94 2HG GLU 94 11.545 -8.747 2.237 Start of MODEL 15 1 1H GLY 1 1H GLY 1 17.568 -7.319 -1.153 2 2H GLY 1 2H GLY 1 16.570 -7.686 -2.479 3 3H GLY 1 3H GLY 1 17.363 -8.916 -1.663 4 1HA GLY 1 1HA GLY 1 16.040 -8.544 0.281 5 2HA GLY 1 2HA GLY 1 15.245 -7.210 -0.543 6 H HIS 2 H HIS 2 14.838 -10.299 0.316 7 HA HIS 2 HA HIS 2 13.545 -11.217 -2.119 8 1HB HIS 2 1HB HIS 2 13.750 -12.526 0.613 9 2HB HIS 2 2HB HIS 2 13.078 -13.274 -0.826 10 HD1 HIS 2 HD1 HIS 2 16.121 -13.166 1.069 11 HD2 HIS 2 HD2 HIS 2 15.155 -13.379 -2.970 12 HE1 HIS 2 HE1 HIS 2 18.160 -14.073 -0.097 13 H MET 3 H MET 3 11.441 -10.903 -2.510 14 HA MET 3 HA MET 3 9.566 -10.475 -0.329 15 1HB MET 3 1HB MET 3 10.633 -8.250 -0.932 16 2HB MET 3 2HB MET 3 9.993 -8.463 -2.545 17 1HG MET 3 1HG MET 3 8.572 -6.964 -1.368 18 2HG MET 3 2HG MET 3 7.716 -8.485 -1.599 19 1HE MET 3 1HE MET 3 9.569 -7.201 2.437 20 2HE MET 3 2HE MET 3 9.700 -6.242 0.961 21 3HE MET 3 3HE MET 3 10.551 -7.781 1.096 22 H GLU 4 H GLU 4 7.502 -11.129 -1.019 23 HA GLU 4 HA GLU 4 7.333 -11.990 -3.814 24 1HB GLU 4 1HB GLU 4 6.917 -13.775 -2.144 25 2HB GLU 4 2HB GLU 4 5.641 -12.777 -1.450 26 1HG GLU 4 1HG GLU 4 4.272 -13.013 -3.366 27 2HG GLU 4 2HG GLU 4 5.583 -13.731 -4.296 28 H LEU 5 H LEU 5 6.494 -10.496 -5.041 29 HA LEU 5 HA LEU 5 4.729 -8.514 -3.900 30 1HB LEU 5 1HB LEU 5 5.771 -8.733 -6.732 31 2HB LEU 5 2HB LEU 5 4.905 -7.379 -6.050 32 HG LEU 5 HG LEU 5 7.084 -6.689 -6.152 33 1HD1 LEU 5 11HD LEU 5 6.694 -7.611 -3.351 34 2HD1 LEU 5 12HD LEU 5 6.062 -6.131 -4.074 35 3HD1 LEU 5 13HD LEU 5 7.805 -6.341 -3.868 36 1HD2 LEU 5 21HD LEU 5 9.045 -7.921 -5.311 37 2HD2 LEU 5 22HD LEU 5 8.209 -8.812 -6.582 38 3HD2 LEU 5 23HD LEU 5 7.999 -9.277 -4.894 39 H PHE 6 H PHE 6 2.572 -8.515 -4.131 40 HA PHE 6 HA PHE 6 1.456 -10.071 -6.273 41 1HB PHE 6 1HB PHE 6 -0.217 -10.948 -4.625 42 2HB PHE 6 2HB PHE 6 1.344 -11.770 -4.648 43 HD1 PHE 6 HD1 PHE 6 2.763 -11.464 -2.648 44 HD2 PHE 6 HD2 PHE 6 -1.091 -9.740 -2.915 45 HE1 PHE 6 HE1 PHE 6 2.777 -11.119 -0.249 46 HE2 PHE 6 HE2 PHE 6 -1.107 -9.367 -0.471 47 HZ PHE 6 HZ PHE 6 0.836 -10.063 0.873 48 HA PRO 7 HA PRO 7 -1.454 -6.717 -6.286 49 1HB PRO 7 1HB PRO 7 -3.153 -7.686 -8.006 50 2HB PRO 7 2HB PRO 7 -1.554 -7.137 -8.503 51 1HG PRO 7 1HG PRO 7 -2.508 -9.962 -8.056 52 2HG PRO 7 2HG PRO 7 -1.449 -9.342 -9.349 53 1HD PRO 7 1HD PRO 7 -0.618 -10.629 -7.075 54 2HD PRO 7 2HD PRO 7 0.382 -9.492 -8.012 55 H VAL 8 H VAL 8 -2.766 -6.444 -4.711 56 HA VAL 8 HA VAL 8 -4.674 -8.516 -4.072 57 HB VAL 8 HB VAL 8 -4.135 -5.955 -2.559 58 1HG1 VAL 8 11HG VAL 8 -5.280 -7.055 -0.682 59 2HG1 VAL 8 12HG VAL 8 -5.740 -8.360 -1.785 60 3HG1 VAL 8 13HG VAL 8 -6.306 -6.721 -2.074 61 1HG2 VAL 8 21HG VAL 8 -3.087 -8.716 -1.996 62 2HG2 VAL 8 22HG VAL 8 -2.898 -7.308 -0.937 63 3HG2 VAL 8 23HG VAL 8 -2.161 -7.318 -2.545 64 H GLU 9 H GLU 9 -6.258 -8.243 -5.585 65 HA GLU 9 HA GLU 9 -7.301 -5.632 -6.164 66 1HB GLU 9 1HB GLU 9 -7.276 -7.530 -7.837 67 2HB GLU 9 2HB GLU 9 -8.431 -8.370 -6.816 68 1HG GLU 9 1HG GLU 9 -9.992 -6.427 -7.141 69 2HG GLU 9 2HG GLU 9 -8.843 -5.809 -8.327 70 H LEU 10 H LEU 10 -8.260 -4.721 -4.476 71 HA LEU 10 HA LEU 10 -9.801 -6.368 -2.586 72 1HB LEU 10 1HB LEU 10 -7.816 -4.596 -2.149 73 2HB LEU 10 2HB LEU 10 -9.189 -3.509 -2.201 74 HG LEU 10 HG LEU 10 -8.759 -3.916 0.060 75 1HD1 LEU 10 11HD LEU 10 -11.038 -5.709 -0.675 76 2HD1 LEU 10 12HD LEU 10 -11.112 -3.974 -0.407 77 3HD1 LEU 10 13HD LEU 10 -10.715 -5.058 0.930 78 1HD2 LEU 10 21HD LEU 10 -7.299 -5.811 -0.160 79 2HD2 LEU 10 22HD LEU 10 -8.667 -6.853 -0.554 80 3HD2 LEU 10 23HD LEU 10 -8.538 -6.129 1.051 81 H GLU 11 H GLU 11 -11.992 -5.989 -2.595 82 HA GLU 11 HA GLU 11 -12.938 -3.733 -4.188 83 1HB GLU 11 1HB GLU 11 -13.837 -5.944 -4.840 84 2HB GLU 11 2HB GLU 11 -14.479 -6.151 -3.216 85 1HG GLU 11 1HG GLU 11 -15.964 -4.276 -3.526 86 2HG GLU 11 2HG GLU 11 -15.276 -3.962 -5.116 87 H LYS 12 H LYS 12 -12.859 -2.086 -2.900 88 HA LYS 12 HA LYS 12 -13.642 -2.305 -0.174 89 1HB LYS 12 1HB LYS 12 -12.240 -0.269 -1.759 90 2HB LYS 12 2HB LYS 12 -13.009 0.308 -0.303 91 1HG LYS 12 1HG LYS 12 -10.911 -1.864 -0.579 92 2HG LYS 12 2HG LYS 12 -10.657 -0.253 0.100 93 1HD LYS 12 1HD LYS 12 -12.781 -1.806 1.400 94 2HD LYS 12 2HD LYS 12 -11.178 -2.543 1.556 95 1HE LYS 12 1HE LYS 12 -11.768 -1.254 3.457 96 2HE LYS 12 2HE LYS 12 -10.451 -0.427 2.673 97 1HZ LYS 12 1HZ LYS 12 -12.218 1.084 1.643 98 2HZ LYS 12 2HZ LYS 12 -12.124 1.180 3.315 99 3HZ LYS 12 3HZ LYS 12 -13.348 0.273 2.615 100 H ASP 13 H ASP 13 -14.605 -0.216 0.681 101 HA ASP 13 HA ASP 13 -17.405 -0.389 0.186 102 1HB ASP 13 1HB ASP 13 -15.974 1.528 2.014 103 2HB ASP 13 2HB ASP 13 -17.576 0.837 2.194 104 H GLU 14 H GLU 14 -18.478 1.922 0.554 105 HA GLU 14 HA GLU 14 -17.949 3.544 -1.722 106 1HB GLU 14 1HB GLU 14 -19.701 5.040 -0.779 107 2HB GLU 14 2HB GLU 14 -20.214 3.363 -0.917 108 1HG GLU 14 1HG GLU 14 -19.936 3.021 1.426 109 2HG GLU 14 2HG GLU 14 -19.203 4.608 1.624 110 H ASP 15 H ASP 15 -16.957 3.622 1.570 111 HA ASP 15 HA ASP 15 -16.142 6.278 1.930 112 1HB ASP 15 1HB ASP 15 -16.190 4.642 3.760 113 2HB ASP 15 2HB ASP 15 -14.877 3.749 3.005 114 H GLY 16 H GLY 16 -14.490 3.531 0.507 115 1HA GLY 16 1HA GLY 16 -12.976 4.031 -1.345 116 2HA GLY 16 2HA GLY 16 -12.323 5.321 -0.320 117 H LEU 17 H LEU 17 -10.659 4.828 0.872 118 HA LEU 17 HA LEU 17 -10.159 1.965 1.385 119 1HB LEU 17 1HB LEU 17 -8.521 3.210 -0.197 120 2HB LEU 17 2HB LEU 17 -8.088 4.106 1.233 121 HG LEU 17 HG LEU 17 -7.040 2.310 2.200 122 1HD1 LEU 17 11HD LEU 17 -8.436 0.553 0.153 123 2HD1 LEU 17 12HD LEU 17 -8.771 0.594 1.889 124 3HD1 LEU 17 13HD LEU 17 -7.224 0.003 1.312 125 1HD2 LEU 17 21HD LEU 17 -6.656 2.064 -0.766 126 2HD2 LEU 17 22HD LEU 17 -5.533 1.556 0.504 127 3HD2 LEU 17 23HD LEU 17 -5.902 3.263 0.287 128 H GLY 18 H GLY 18 -9.100 5.107 2.635 129 1HA GLY 18 1HA GLY 18 -9.367 5.973 4.740 130 2HA GLY 18 2HA GLY 18 -10.284 4.542 5.168 131 H ILE 19 H ILE 19 -7.079 4.301 3.806 132 HA ILE 19 HA ILE 19 -6.256 3.341 6.446 133 HB ILE 19 HB ILE 19 -4.563 1.991 5.449 134 1HG1 ILE 19 11HG ILE 19 -5.340 3.229 2.785 135 2HG1 ILE 19 12HG ILE 19 -3.847 3.474 3.679 136 1HG2 ILE 19 21HG ILE 19 -7.189 1.718 4.001 137 2HG2 ILE 19 22HG ILE 19 -6.741 0.992 5.525 138 3HG2 ILE 19 23HG ILE 19 -5.936 0.479 4.035 139 1HD1 ILE 19 11HD ILE 19 -4.778 0.901 2.465 140 2HD1 ILE 19 12HD ILE 19 -3.273 1.109 3.377 141 3HD1 ILE 19 13HD ILE 19 -3.511 1.948 1.838 142 H SER 20 H SER 20 -3.795 3.492 6.744 143 HA SER 20 HA SER 20 -2.912 6.228 6.088 144 1HB SER 20 1HB SER 20 -2.559 4.771 8.709 145 2HB SER 20 2HB SER 20 -2.050 6.416 8.320 146 HG SER 20 HG SER 20 -4.687 5.418 8.486 147 H ILE 21 H ILE 21 -0.776 6.514 5.839 148 HA ILE 21 HA ILE 21 0.779 4.068 5.370 149 HB ILE 21 HB ILE 21 1.913 5.321 3.588 150 1HG1 ILE 21 11HG ILE 21 0.455 7.401 2.724 151 2HG1 ILE 21 12HG ILE 21 0.020 7.485 4.404 152 1HG2 ILE 21 21HG ILE 21 -1.067 5.103 3.219 153 2HG2 ILE 21 22HG ILE 21 0.126 3.828 2.974 154 3HG2 ILE 21 23HG ILE 21 0.112 5.238 1.915 155 1HD1 ILE 21 11HD ILE 21 2.332 7.795 5.038 156 2HD1 ILE 21 12HD ILE 21 1.841 8.993 3.847 157 3HD1 ILE 21 13HD ILE 21 2.832 7.647 3.363 158 H ILE 22 H ILE 22 3.082 4.413 5.668 159 HA ILE 22 HA ILE 22 3.649 6.794 7.198 160 HB ILE 22 HB ILE 22 3.490 5.040 8.823 161 1HG1 ILE 22 11HG ILE 22 6.400 5.743 8.367 162 2HG1 ILE 22 12HG ILE 22 5.218 6.748 9.190 163 1HG2 ILE 22 21HG ILE 22 3.838 3.108 7.476 164 2HG2 ILE 22 22HG ILE 22 4.973 3.087 8.830 165 3HG2 ILE 22 23HG ILE 22 5.528 3.553 7.214 166 1HD1 ILE 22 11HD ILE 22 6.676 5.617 10.758 167 2HD1 ILE 22 12HD ILE 22 6.193 4.049 10.109 168 3HD1 ILE 22 13HD ILE 22 5.013 5.064 10.943 169 H GLY 23 H GLY 23 5.452 7.858 6.696 170 1HA GLY 23 1HA GLY 23 6.762 6.874 4.313 171 2HA GLY 23 2HA GLY 23 6.806 8.529 4.911 172 H MET 24 H MET 24 8.374 5.604 4.708 173 HA MET 24 HA MET 24 10.374 6.485 6.675 174 1HB MET 24 1HB MET 24 9.843 3.689 5.618 175 2HB MET 24 2HB MET 24 11.080 4.120 6.783 176 1HG MET 24 1HG MET 24 8.102 4.339 7.232 177 2HG MET 24 2HG MET 24 9.132 3.039 7.808 178 1HE MET 24 1HE MET 24 11.351 4.763 10.482 179 2HE MET 24 2HE MET 24 11.759 4.492 8.790 180 3HE MET 24 3HE MET 24 10.902 3.247 9.702 181 H GLY 25 H GLY 25 12.561 6.216 5.953 182 1HA GLY 25 1HA GLY 25 12.752 6.114 3.020 183 2HA GLY 25 2HA GLY 25 13.860 7.021 4.042 184 H VAL 26 H VAL 26 12.748 3.809 3.220 185 HA VAL 26 HA VAL 26 14.983 2.680 4.608 186 HB VAL 26 HB VAL 26 12.883 1.516 4.924 187 1HG1 VAL 26 11HG VAL 26 11.787 2.032 2.836 188 2HG1 VAL 26 12HG VAL 26 11.744 0.298 3.168 189 3HG1 VAL 26 13HG VAL 26 12.875 0.943 1.978 190 1HG2 VAL 26 21HG VAL 26 13.551 -0.767 4.373 191 2HG2 VAL 26 22HG VAL 26 14.885 0.186 5.031 192 3HG2 VAL 26 23HG VAL 26 14.793 -0.125 3.298 193 H GLY 27 H GLY 27 16.762 3.078 3.660 194 1HA GLY 27 1HA GLY 27 17.071 2.600 0.803 195 2HA GLY 27 2HA GLY 27 18.234 3.385 1.868 196 H ALA 28 H ALA 28 20.000 2.231 1.993 197 HA ALA 28 HA ALA 28 19.827 -0.664 1.799 198 1HB ALA 28 1HB ALA 28 22.244 1.138 1.836 199 2HB ALA 28 2HB ALA 28 21.470 0.484 0.392 200 3HB ALA 28 3HB ALA 28 22.259 -0.601 1.540 201 H ASP 29 H ASP 29 19.217 -1.435 3.678 202 HA ASP 29 HA ASP 29 20.997 -1.024 5.956 203 1HB ASP 29 1HB ASP 29 19.052 0.511 6.273 204 2HB ASP 29 2HB ASP 29 17.979 -0.881 6.177 205 H ALA 30 H ALA 30 18.007 -2.696 5.043 206 HA ALA 30 HA ALA 30 19.148 -5.200 6.018 207 1HB ALA 30 1HB ALA 30 16.350 -4.600 5.072 208 2HB ALA 30 2HB ALA 30 16.871 -4.613 6.759 209 3HB ALA 30 3HB ALA 30 16.891 -6.106 5.815 210 H GLY 31 H GLY 31 17.777 -3.704 3.154 211 1HA GLY 31 1HA GLY 31 19.332 -4.498 1.161 212 2HA GLY 31 2HA GLY 31 18.546 -6.022 1.581 213 H LEU 32 H LEU 32 16.809 -3.008 1.783 214 HA LEU 32 HA LEU 32 15.068 -4.102 -0.246 215 1HB LEU 32 1HB LEU 32 14.634 -2.125 1.946 216 2HB LEU 32 2HB LEU 32 13.480 -2.247 0.621 217 HG LEU 32 HG LEU 32 12.632 -3.483 2.455 218 1HD1 LEU 32 11HD LEU 32 12.427 -5.735 1.605 219 2HD1 LEU 32 12HD LEU 32 13.786 -5.473 0.527 220 3HD1 LEU 32 13HD LEU 32 12.298 -4.543 0.310 221 1HD2 LEU 32 21HD LEU 32 15.284 -4.928 2.605 222 2HD2 LEU 32 22HD LEU 32 13.851 -5.339 3.549 223 3HD2 LEU 32 23HD LEU 32 14.644 -3.781 3.780 224 H GLU 33 H GLU 33 16.298 -0.857 0.609 225 HA GLU 33 HA GLU 33 16.761 0.958 -0.609 226 1HB GLU 33 1HB GLU 33 17.570 -1.096 -2.666 227 2HB GLU 33 2HB GLU 33 17.988 0.607 -2.735 228 1HG GLU 33 1HG GLU 33 19.269 0.394 -0.690 229 2HG GLU 33 2HG GLU 33 18.804 -1.302 -0.561 230 H LYS 34 H LYS 34 14.413 1.340 -0.614 231 HA LYS 34 HA LYS 34 13.455 1.981 -3.206 232 1HB LYS 34 1HB LYS 34 11.595 0.461 -3.314 233 2HB LYS 34 2HB LYS 34 13.085 -0.454 -3.113 234 1HG LYS 34 1HG LYS 34 12.415 -0.502 -0.576 235 2HG LYS 34 2HG LYS 34 10.829 -0.081 -1.185 236 1HD LYS 34 1HD LYS 34 12.414 -2.490 -2.085 237 2HD LYS 34 2HD LYS 34 11.066 -2.518 -0.955 238 1HE LYS 34 1HE LYS 34 9.517 -1.900 -2.630 239 2HE LYS 34 2HE LYS 34 10.783 -1.435 -3.757 240 1HZ LYS 34 1HZ LYS 34 9.836 -3.566 -4.355 241 2HZ LYS 34 2HZ LYS 34 10.232 -4.243 -2.868 242 3HZ LYS 34 3HZ LYS 34 11.431 -3.757 -3.911 243 H LEU 35 H LEU 35 10.837 2.221 -2.646 244 HA LEU 35 HA LEU 35 10.545 4.499 -1.078 245 1HB LEU 35 1HB LEU 35 8.196 4.102 -1.183 246 2HB LEU 35 2HB LEU 35 8.887 3.555 -2.703 247 HG LEU 35 HG LEU 35 8.591 1.525 -0.581 248 1HD1 LEU 35 11HD LEU 35 6.264 1.136 -1.173 249 2HD1 LEU 35 12HD LEU 35 6.261 2.621 -2.135 250 3HD1 LEU 35 13HD LEU 35 6.521 2.683 -0.382 251 1HD2 LEU 35 21HD LEU 35 9.502 0.952 -2.790 252 2HD2 LEU 35 22HD LEU 35 7.958 1.414 -3.530 253 3HD2 LEU 35 23HD LEU 35 8.031 0.070 -2.409 254 H GLY 36 H GLY 36 9.753 4.716 1.103 255 1HA GLY 36 1HA GLY 36 9.770 2.214 2.623 256 2HA GLY 36 2HA GLY 36 10.268 3.780 3.279 257 H ILE 37 H ILE 37 7.518 3.237 1.177 258 HA ILE 37 HA ILE 37 5.898 4.370 3.272 259 HB ILE 37 HB ILE 37 4.939 3.530 0.527 260 1HG1 ILE 37 11HG ILE 37 6.755 5.271 0.486 261 2HG1 ILE 37 12HG ILE 37 5.217 5.847 -0.185 262 1HG2 ILE 37 21HG ILE 37 3.769 5.314 2.654 263 2HG2 ILE 37 22HG ILE 37 3.200 3.712 2.218 264 3HG2 ILE 37 23HG ILE 37 3.060 5.044 1.061 265 1HD1 ILE 37 11HD ILE 37 6.244 7.549 1.129 266 2HD1 ILE 37 12HD ILE 37 6.475 6.433 2.472 267 3HD1 ILE 37 13HD ILE 37 4.840 6.950 2.025 268 H PHE 38 H PHE 38 5.512 2.996 4.745 269 HA PHE 38 HA PHE 38 4.644 0.297 4.051 270 1HB PHE 38 1HB PHE 38 5.513 1.558 6.623 271 2HB PHE 38 2HB PHE 38 4.882 -0.085 6.549 272 HD1 PHE 38 HD1 PHE 38 7.740 2.070 5.867 273 HD2 PHE 38 HD2 PHE 38 6.171 -1.854 5.425 274 HE1 PHE 38 HE1 PHE 38 9.988 1.242 5.341 275 HE2 PHE 38 HE2 PHE 38 8.422 -2.700 4.897 276 HZ PHE 38 HZ PHE 38 10.336 -1.150 4.851 277 H VAL 39 H VAL 39 2.793 -0.600 5.145 278 HA VAL 39 HA VAL 39 0.658 1.304 5.186 279 HB VAL 39 HB VAL 39 0.549 -1.613 6.037 280 1HG1 VAL 39 11HG VAL 39 -1.826 -1.427 5.494 281 2HG1 VAL 39 12HG VAL 39 -1.601 0.278 5.102 282 3HG1 VAL 39 13HG VAL 39 -1.351 -0.286 6.753 283 1HG2 VAL 39 21HG VAL 39 1.442 -1.426 3.748 284 2HG2 VAL 39 22HG VAL 39 0.070 -0.424 3.297 285 3HG2 VAL 39 23HG VAL 39 -0.182 -2.113 3.746 286 H LYS 40 H LYS 40 0.252 2.447 6.837 287 HA LYS 40 HA LYS 40 1.584 1.902 9.335 288 1HB LYS 40 1HB LYS 40 1.795 4.094 8.488 289 2HB LYS 40 2HB LYS 40 0.072 4.233 8.230 290 1HG LYS 40 1HG LYS 40 -0.369 4.330 10.505 291 2HG LYS 40 2HG LYS 40 1.323 3.987 10.947 292 1HD LYS 40 1HD LYS 40 1.961 6.098 9.893 293 2HD LYS 40 2HD LYS 40 0.273 6.377 9.448 294 1HE LYS 40 1HE LYS 40 -0.346 6.340 11.775 295 2HE LYS 40 2HE LYS 40 1.332 6.053 12.219 296 1HZ LYS 40 1HZ LYS 40 1.950 8.181 11.316 297 2HZ LYS 40 2HZ LYS 40 0.710 8.429 12.421 298 3HZ LYS 40 3HZ LYS 40 0.391 8.469 10.765 299 H THR 41 H THR 41 -1.700 2.560 8.190 300 HA THR 41 HA THR 41 -2.702 1.016 10.430 301 HB THR 41 HB THR 41 -4.194 3.387 9.643 302 HG1 THR 41 HG1 THR 41 -1.952 3.415 11.472 303 1HG2 THR 41 21HG THR 41 -4.807 3.414 12.060 304 2HG2 THR 41 22HG THR 41 -3.732 2.032 12.296 305 3HG2 THR 41 23HG THR 41 -5.140 1.890 11.242 306 H VAL 42 H VAL 42 -4.932 0.323 9.862 307 HA VAL 42 HA VAL 42 -5.626 0.821 7.116 308 HB VAL 42 HB VAL 42 -6.011 -1.848 8.562 309 1HG1 VAL 42 11HG VAL 42 -6.651 -1.072 5.718 310 2HG1 VAL 42 12HG VAL 42 -7.822 -1.357 6.991 311 3HG1 VAL 42 13HG VAL 42 -6.825 -2.693 6.395 312 1HG2 VAL 42 21HG VAL 42 -3.694 -1.517 7.907 313 2HG2 VAL 42 22HG VAL 42 -4.204 -1.153 6.257 314 3HG2 VAL 42 23HG VAL 42 -4.452 -2.769 6.921 315 H THR 43 H THR 43 -7.998 0.896 6.893 316 HA THR 43 HA THR 43 -9.345 2.021 9.069 317 HB THR 43 HB THR 43 -9.973 2.503 6.711 318 HG1 THR 43 HG1 THR 43 -11.929 2.849 7.339 319 1HG2 THR 43 21HG THR 43 -11.179 0.828 5.418 320 2HG2 THR 43 22HG THR 43 -11.013 -0.274 6.806 321 3HG2 THR 43 23HG THR 43 -9.576 0.216 5.907 322 H GLU 44 H GLU 44 -10.839 1.205 10.345 323 HA GLU 44 HA GLU 44 -10.752 -1.571 11.018 324 1HB GLU 44 1HB GLU 44 -12.116 -0.852 12.876 325 2HB GLU 44 2HB GLU 44 -10.795 0.293 12.669 326 1HG GLU 44 1HG GLU 44 -12.374 1.642 11.292 327 2HG GLU 44 2HG GLU 44 -13.627 0.557 11.849 328 H GLY 45 H GLY 45 -12.718 0.636 9.240 329 1HA GLY 45 1HA GLY 45 -14.800 -1.385 8.925 330 2HA GLY 45 2HA GLY 45 -15.232 0.327 9.171 331 H GLY 46 H GLY 46 -13.272 -1.789 7.285 332 1HA GLY 46 1HA GLY 46 -14.526 -0.837 4.965 333 2HA GLY 46 2HA GLY 46 -12.786 -0.542 5.111 334 H ALA 47 H ALA 47 -14.114 -2.180 3.388 335 HA ALA 47 HA ALA 47 -14.016 -4.870 4.012 336 1HB ALA 47 1HB ALA 47 -13.530 -3.720 1.286 337 2HB ALA 47 2HB ALA 47 -15.116 -3.951 2.027 338 3HB ALA 47 3HB ALA 47 -14.090 -5.343 1.664 339 H ALA 48 H ALA 48 -11.370 -2.977 4.100 340 HA ALA 48 HA ALA 48 -9.435 -4.635 2.761 341 1HB ALA 48 1HB ALA 48 -9.008 -2.234 3.042 342 2HB ALA 48 2HB ALA 48 -7.750 -3.189 3.828 343 3HB ALA 48 3HB ALA 48 -9.016 -2.432 4.794 344 H GLN 49 H GLN 49 -10.122 -3.890 6.219 345 HA GLN 49 HA GLN 49 -8.678 -6.184 7.004 346 1HB GLN 49 1HB GLN 49 -10.314 -4.169 8.567 347 2HB GLN 49 2HB GLN 49 -9.643 -5.594 9.342 348 1HG GLN 49 1HG GLN 49 -7.393 -4.892 8.474 349 2HG GLN 49 2HG GLN 49 -8.184 -3.421 7.901 350 1HE2 GLN 49 21HE GLN 49 -9.893 -3.144 10.151 351 2HE2 GLN 49 22HE GLN 49 -8.953 -2.626 11.481 352 H ARG 50 H ARG 50 -11.656 -5.840 5.698 353 HA ARG 50 HA ARG 50 -12.798 -8.159 6.993 354 1HB ARG 50 1HB ARG 50 -13.723 -6.620 4.574 355 2HB ARG 50 2HB ARG 50 -14.595 -7.947 5.296 356 1HG ARG 50 1HG ARG 50 -13.868 -5.576 6.939 357 2HG ARG 50 2HG ARG 50 -15.307 -5.538 5.913 358 1HD ARG 50 1HD ARG 50 -15.849 -6.171 8.224 359 2HD ARG 50 2HD ARG 50 -16.199 -7.469 7.102 360 HE ARG 50 HE ARG 50 -14.257 -8.619 7.915 361 1HH1 ARG 50 11HH ARG 50 -15.241 -5.854 9.930 362 2HH1 ARG 50 12HH ARG 50 -14.586 -6.487 11.355 363 1HH2 ARG 50 21HH ARG 50 -13.359 -9.474 9.878 364 2HH2 ARG 50 22HH ARG 50 -13.475 -8.579 11.325 365 H ASP 51 H ASP 51 -11.281 -7.244 3.915 366 HA ASP 51 HA ASP 51 -11.425 -9.812 2.729 367 1HB ASP 51 1HB ASP 51 -10.792 -7.609 1.571 368 2HB ASP 51 2HB ASP 51 -9.195 -7.802 2.278 369 H GLY 52 H GLY 52 -8.882 -8.228 4.637 370 1HA GLY 52 1HA GLY 52 -7.584 -9.193 6.326 371 2HA GLY 52 2HA GLY 52 -8.291 -10.747 5.935 372 H ARG 53 H ARG 53 -7.435 -10.138 3.080 373 HA ARG 53 HA ARG 53 -5.050 -11.661 2.822 374 1HB ARG 53 1HB ARG 53 -6.927 -10.872 1.254 375 2HB ARG 53 2HB ARG 53 -5.825 -9.537 0.973 376 1HG ARG 53 1HG ARG 53 -4.083 -11.324 0.531 377 2HG ARG 53 2HG ARG 53 -5.467 -12.424 0.394 378 1HD ARG 53 1HD ARG 53 -4.802 -10.011 -1.139 379 2HD ARG 53 2HD ARG 53 -5.090 -11.677 -1.713 380 HE ARG 53 HE ARG 53 -7.407 -10.511 -0.442 381 1HH1 ARG 53 11HH ARG 53 -5.830 -10.844 -3.576 382 2HH1 ARG 53 12HH ARG 53 -7.158 -10.282 -4.469 383 1HH2 ARG 53 21HH ARG 53 -9.221 -9.700 -1.605 384 2HH2 ARG 53 22HH ARG 53 -9.157 -9.545 -3.295 385 H ILE 54 H ILE 54 -5.730 -8.233 2.899 386 HA ILE 54 HA ILE 54 -2.980 -7.497 2.416 387 HB ILE 54 HB ILE 54 -5.093 -6.239 1.560 388 1HG1 ILE 54 11HG ILE 54 -2.925 -4.687 3.002 389 2HG1 ILE 54 12HG ILE 54 -2.828 -5.381 1.384 390 1HG2 ILE 54 21HG ILE 54 -5.047 -5.278 4.416 391 2HG2 ILE 54 22HG ILE 54 -6.360 -6.145 3.622 392 3HG2 ILE 54 23HG ILE 54 -5.963 -4.493 3.127 393 1HD1 ILE 54 11HD ILE 54 -4.678 -3.161 2.248 394 2HD1 ILE 54 12HD ILE 54 -4.621 -3.894 0.646 395 3HD1 ILE 54 13HD ILE 54 -3.224 -3.002 1.246 396 H GLN 55 H GLN 55 -1.920 -5.947 4.104 397 HA GLN 55 HA GLN 55 -2.866 -6.753 6.714 398 1HB GLN 55 1HB GLN 55 0.024 -6.674 5.817 399 2HB GLN 55 2HB GLN 55 -0.495 -6.922 7.470 400 1HG GLN 55 1HG GLN 55 -0.349 -9.098 7.021 401 2HG GLN 55 2HG GLN 55 -1.838 -8.893 6.112 402 1HE2 GLN 55 21HE GLN 55 -0.359 -7.321 3.939 403 2HE2 GLN 55 22HE GLN 55 0.460 -8.548 3.089 404 H VAL 56 H VAL 56 -1.283 -5.444 8.312 405 HA VAL 56 HA VAL 56 -1.269 -2.634 7.468 406 HB VAL 56 HB VAL 56 -2.977 -3.240 9.238 407 1HG1 VAL 56 11HG VAL 56 -0.591 -3.793 10.967 408 2HG1 VAL 56 12HG VAL 56 -1.816 -4.949 10.447 409 3HG1 VAL 56 13HG VAL 56 -2.251 -3.634 11.540 410 1HG2 VAL 56 21HG VAL 56 -2.512 -1.320 10.701 411 2HG2 VAL 56 22HG VAL 56 -2.114 -0.935 9.018 412 3HG2 VAL 56 23HG VAL 56 -0.840 -1.327 10.149 413 H ASN 57 H ASN 57 0.633 -4.972 7.442 414 HA ASN 57 HA ASN 57 2.864 -3.779 8.922 415 1HB ASN 57 1HB ASN 57 3.602 -5.956 9.762 416 2HB ASN 57 2HB ASN 57 1.977 -5.555 10.317 417 1HD2 ASN 57 21HD ASN 57 1.534 -7.673 10.784 418 2HD2 ASN 57 22HD ASN 57 1.218 -8.881 9.592 419 H ASP 58 H ASP 58 1.815 -4.147 6.170 420 HA ASP 58 HA ASP 58 4.124 -5.342 4.906 421 1HB ASP 58 1HB ASP 58 2.528 -5.574 2.930 422 2HB ASP 58 2HB ASP 58 2.205 -6.619 4.302 423 H GLN 59 H GLN 59 3.700 -4.230 2.385 424 HA GLN 59 HA GLN 59 4.149 -1.383 2.932 425 1HB GLN 59 1HB GLN 59 6.274 -2.693 2.844 426 2HB GLN 59 2HB GLN 59 5.820 -3.145 1.198 427 1HG GLN 59 1HG GLN 59 5.869 -0.812 0.531 428 2HG GLN 59 2HG GLN 59 6.282 -0.343 2.174 429 1HE2 GLN 59 21HE GLN 59 8.122 0.574 1.668 430 2HE2 GLN 59 22HE GLN 59 9.531 -0.229 1.103 431 H ILE 60 H ILE 60 3.179 -0.096 1.444 432 HA ILE 60 HA ILE 60 1.648 -1.249 -0.692 433 HB ILE 60 HB ILE 60 2.329 1.672 -0.228 434 1HG1 ILE 60 11HG ILE 60 1.081 0.777 1.710 435 2HG1 ILE 60 12HG ILE 60 0.101 1.894 0.764 436 1HG2 ILE 60 21HG ILE 60 0.144 0.406 -1.848 437 2HG2 ILE 60 22HG ILE 60 1.630 1.057 -2.501 438 3HG2 ILE 60 23HG ILE 60 0.465 2.140 -1.725 439 1HD1 ILE 60 11HD ILE 60 -1.230 0.013 1.474 440 2HD1 ILE 60 12HD ILE 60 -0.076 -1.099 0.752 441 3HD1 ILE 60 13HD ILE 60 -1.031 -0.034 -0.283 442 H VAL 61 H VAL 61 2.845 -2.053 -2.369 443 HA VAL 61 HA VAL 61 5.351 -0.773 -3.036 444 HB VAL 61 HB VAL 61 4.014 -3.285 -4.094 445 1HG1 VAL 61 11HG VAL 61 5.465 -2.364 -5.812 446 2HG1 VAL 61 12HG VAL 61 6.053 -3.885 -5.126 447 3HG1 VAL 61 13HG VAL 61 6.818 -2.357 -4.655 448 1HG2 VAL 61 21HG VAL 61 4.718 -3.472 -1.791 449 2HG2 VAL 61 22HG VAL 61 6.344 -2.943 -2.218 450 3HG2 VAL 61 23HG VAL 61 5.727 -4.480 -2.826 451 H GLU 62 H GLU 62 2.305 -1.530 -4.658 452 HA GLU 62 HA GLU 62 2.533 0.877 -6.240 453 1HB GLU 62 1HB GLU 62 3.801 -0.643 -7.624 454 2HB GLU 62 2HB GLU 62 2.546 -1.859 -7.549 455 1HG GLU 62 1HG GLU 62 1.046 -0.381 -8.779 456 2HG GLU 62 2HG GLU 62 2.323 0.831 -8.852 457 H VAL 63 H VAL 63 0.557 1.767 -6.004 458 HA VAL 63 HA VAL 63 -1.687 -0.066 -6.017 459 HB VAL 63 HB VAL 63 -1.254 2.532 -4.543 460 1HG1 VAL 63 11HG VAL 63 -3.648 2.751 -4.166 461 2HG1 VAL 63 12HG VAL 63 -3.964 1.418 -5.292 462 3HG1 VAL 63 13HG VAL 63 -3.252 2.929 -5.879 463 1HG2 VAL 63 21HG VAL 63 -0.915 0.319 -3.550 464 2HG2 VAL 63 22HG VAL 63 -2.597 -0.071 -3.903 465 3HG2 VAL 63 23HG VAL 63 -2.214 1.232 -2.778 466 H ASP 64 H ASP 64 -3.070 -0.054 -7.537 467 HA ASP 64 HA ASP 64 -4.329 0.449 -9.358 468 1HB ASP 64 1HB ASP 64 -4.923 2.416 -7.857 469 2HB ASP 64 2HB ASP 64 -3.745 3.363 -8.750 470 H GLY 65 H GLY 65 -1.334 0.333 -9.466 471 1HA GLY 65 1HA GLY 65 0.201 0.201 -11.179 472 2HA GLY 65 2HA GLY 65 -1.014 0.858 -12.271 473 H ILE 66 H ILE 66 -0.592 2.766 -9.495 474 HA ILE 66 HA ILE 66 0.395 4.915 -11.075 475 HB ILE 66 HB ILE 66 -1.212 4.954 -8.921 476 1HG1 ILE 66 11HG ILE 66 0.891 7.085 -9.333 477 2HG1 ILE 66 12HG ILE 66 -0.499 6.864 -10.392 478 1HG2 ILE 66 21HG ILE 66 1.514 5.308 -7.709 479 2HG2 ILE 66 22HG ILE 66 0.375 4.002 -7.370 480 3HG2 ILE 66 23HG ILE 66 -0.018 5.663 -6.908 481 1HD1 ILE 66 11HD ILE 66 -0.884 8.658 -8.811 482 2HD1 ILE 66 12HD ILE 66 -0.572 7.539 -7.477 483 3HD1 ILE 66 13HD ILE 66 -1.979 7.302 -8.512 484 H SER 67 H SER 67 1.894 2.453 -9.476 485 HA SER 67 HA SER 67 3.868 2.072 -8.440 486 1HB SER 67 1HB SER 67 5.843 2.560 -10.049 487 2HB SER 67 2HB SER 67 4.559 1.484 -10.589 488 HG SER 67 HG SER 67 4.473 4.247 -11.151 489 H LEU 68 H LEU 68 3.722 3.197 -6.626 490 HA LEU 68 HA LEU 68 4.757 5.904 -6.595 491 1HB LEU 68 1HB LEU 68 3.860 5.990 -4.327 492 2HB LEU 68 2HB LEU 68 2.647 5.513 -5.490 493 HG LEU 68 HG LEU 68 3.729 3.143 -4.554 494 1HD1 LEU 68 11HD LEU 68 3.493 3.291 -2.127 495 2HD1 LEU 68 12HD LEU 68 3.237 5.034 -2.272 496 3HD1 LEU 68 13HD LEU 68 4.781 4.331 -2.746 497 1HD2 LEU 68 21HD LEU 68 1.189 4.572 -3.821 498 2HD2 LEU 68 22HD LEU 68 1.514 2.844 -3.581 499 3HD2 LEU 68 23HD LEU 68 1.478 3.524 -5.213 500 H VAL 69 H VAL 69 6.151 3.224 -6.701 501 HA VAL 69 HA VAL 69 7.971 3.006 -4.588 502 HB VAL 69 HB VAL 69 8.600 2.499 -7.517 503 1HG1 VAL 69 11HG VAL 69 10.261 0.891 -6.684 504 2HG1 VAL 69 12HG VAL 69 9.880 1.369 -5.030 505 3HG1 VAL 69 13HG VAL 69 10.596 2.535 -6.139 506 1HG2 VAL 69 21HG VAL 69 7.449 0.595 -5.475 507 2HG2 VAL 69 22HG VAL 69 7.959 0.160 -7.105 508 3HG2 VAL 69 23HG VAL 69 6.604 1.261 -6.872 509 H GLY 70 H GLY 70 8.692 4.930 -3.845 510 1HA GLY 70 1HA GLY 70 10.827 6.122 -3.888 511 2HA GLY 70 2HA GLY 70 10.559 6.361 -5.609 512 H VAL 71 H VAL 71 7.756 6.689 -3.621 513 HA VAL 71 HA VAL 71 7.952 9.596 -3.946 514 HB VAL 71 HB VAL 71 5.549 9.729 -3.789 515 1HG1 VAL 71 11HG VAL 71 6.425 9.192 -5.981 516 2HG1 VAL 71 12HG VAL 71 4.849 8.444 -5.729 517 3HG1 VAL 71 13HG VAL 71 6.313 7.469 -5.614 518 1HG2 VAL 71 21HG VAL 71 4.121 7.776 -3.449 519 2HG2 VAL 71 22HG VAL 71 5.198 8.017 -2.073 520 3HG2 VAL 71 23HG VAL 71 5.548 6.754 -3.253 521 H THR 72 H THR 72 6.518 10.747 -2.173 522 HA THR 72 HA THR 72 7.643 9.977 0.390 523 HB THR 72 HB THR 72 6.591 12.222 1.021 524 HG1 THR 72 HG1 THR 72 6.763 12.939 -1.666 525 1HG2 THR 72 21HG THR 72 8.484 13.489 0.025 526 2HG2 THR 72 22HG THR 72 8.803 12.119 -1.043 527 3HG2 THR 72 23HG THR 72 9.012 11.944 0.697 528 H GLN 73 H GLN 73 6.089 10.730 2.160 529 HA GLN 73 HA GLN 73 3.985 8.907 2.166 530 1HB GLN 73 1HB GLN 73 3.629 9.564 4.438 531 2HB GLN 73 2HB GLN 73 5.335 9.674 4.113 532 1HG GLN 73 1HG GLN 73 3.397 11.884 4.248 533 2HG GLN 73 2HG GLN 73 4.556 11.475 5.517 534 1HE2 GLN 73 21HE GLN 73 6.870 11.501 4.765 535 2HE2 GLN 73 22HE GLN 73 7.320 12.764 3.697 536 H ASN 74 H ASN 74 4.143 12.331 1.544 537 HA ASN 74 HA ASN 74 1.362 12.726 1.712 538 1HB ASN 74 1HB ASN 74 1.738 14.951 0.739 539 2HB ASN 74 2HB ASN 74 2.897 14.625 2.014 540 1HD2 ASN 74 21HD ASN 74 5.059 14.501 1.494 541 2HD2 ASN 74 22HD ASN 74 5.664 14.908 -0.068 542 H PHE 75 H PHE 75 3.415 11.666 -0.838 543 HA PHE 75 HA PHE 75 1.423 12.009 -2.862 544 1HB PHE 75 1HB PHE 75 3.885 11.776 -3.357 545 2HB PHE 75 2HB PHE 75 3.761 10.093 -2.851 546 HD1 PHE 75 HD1 PHE 75 3.211 12.454 -5.516 547 HD2 PHE 75 HD2 PHE 75 2.345 8.482 -4.214 548 HE1 PHE 75 HE1 PHE 75 2.549 11.837 -7.797 549 HE2 PHE 75 HE2 PHE 75 1.678 7.877 -6.465 550 HZ PHE 75 HZ PHE 75 1.790 9.545 -8.285 551 H ALA 76 H ALA 76 2.702 9.292 -0.993 552 HA ALA 76 HA ALA 76 0.947 7.349 -1.933 553 1HB ALA 76 1HB ALA 76 1.599 6.036 -0.021 554 2HB ALA 76 2HB ALA 76 2.257 7.479 0.765 555 3HB ALA 76 3HB ALA 76 2.990 6.865 -0.720 556 H ALA 77 H ALA 77 0.608 9.476 0.905 557 HA ALA 77 HA ALA 77 -1.811 8.398 1.893 558 1HB ALA 77 1HB ALA 77 -1.982 10.451 3.199 559 2HB ALA 77 2HB ALA 77 -0.754 11.200 2.183 560 3HB ALA 77 3HB ALA 77 -0.323 9.841 3.222 561 H THR 78 H THR 78 -1.212 10.189 -0.859 562 HA THR 78 HA THR 78 -3.923 11.170 -1.014 563 HB THR 78 HB THR 78 -1.541 11.462 -2.851 564 HG1 THR 78 HG1 THR 78 -1.116 12.815 -1.320 565 1HG2 THR 78 21HG THR 78 -3.619 11.518 -4.132 566 2HG2 THR 78 22HG THR 78 -2.913 13.138 -4.063 567 3HG2 THR 78 23HG THR 78 -4.292 12.722 -3.035 568 H VAL 79 H VAL 79 -1.756 8.936 -2.783 569 HA VAL 79 HA VAL 79 -3.676 8.030 -4.588 570 HB VAL 79 HB VAL 79 -1.425 6.311 -3.465 571 1HG1 VAL 79 11HG VAL 79 -2.858 6.168 -6.096 572 2HG1 VAL 79 12HG VAL 79 -3.086 5.098 -4.716 573 3HG1 VAL 79 13HG VAL 79 -1.535 5.126 -5.551 574 1HG2 VAL 79 21HG VAL 79 -0.539 8.435 -4.216 575 2HG2 VAL 79 22HG VAL 79 -1.410 8.283 -5.734 576 3HG2 VAL 79 23HG VAL 79 -0.103 7.153 -5.344 577 H LEU 80 H LEU 80 -2.663 6.608 -1.493 578 HA LEU 80 HA LEU 80 -4.594 4.536 -1.466 579 1HB LEU 80 1HB LEU 80 -2.901 5.735 0.721 580 2HB LEU 80 2HB LEU 80 -4.016 4.434 1.035 581 HG LEU 80 HG LEU 80 -1.838 3.500 0.873 582 1HD1 LEU 80 11HD LEU 80 -3.215 2.916 -1.717 583 2HD1 LEU 80 12HD LEU 80 -3.630 2.236 -0.149 584 3HD1 LEU 80 13HD LEU 80 -2.050 1.894 -0.859 585 1HD2 LEU 80 21HD LEU 80 -0.740 5.310 -0.371 586 2HD2 LEU 80 22HD LEU 80 -1.534 4.760 -1.848 587 3HD2 LEU 80 23HD LEU 80 -0.363 3.724 -1.028 588 H ARG 81 H ARG 81 -5.160 7.662 -1.289 589 HA ARG 81 HA ARG 81 -7.473 7.518 0.541 590 1HB ARG 81 1HB ARG 81 -5.832 9.270 0.882 591 2HB ARG 81 2HB ARG 81 -6.020 9.767 -0.784 592 1HG ARG 81 1HG ARG 81 -8.456 10.170 -0.195 593 2HG ARG 81 2HG ARG 81 -7.912 10.078 1.491 594 1HD ARG 81 1HD ARG 81 -6.825 11.806 -0.652 595 2HD ARG 81 2HD ARG 81 -7.852 12.369 0.684 596 HE ARG 81 HE ARG 81 -5.260 11.081 1.226 597 1HH1 ARG 81 11HH ARG 81 -7.306 13.976 1.503 598 2HH1 ARG 81 12HH ARG 81 -6.143 14.851 2.383 599 1HH2 ARG 81 21HH ARG 81 -3.727 12.290 2.489 600 2HH2 ARG 81 22HH ARG 81 -4.112 13.889 2.961 601 H ASN 82 H ASN 82 -6.330 8.323 -2.679 602 HA ASN 82 HA ASN 82 -8.890 9.172 -3.649 603 1HB ASN 82 1HB ASN 82 -6.162 9.005 -4.891 604 2HB ASN 82 2HB ASN 82 -7.570 9.295 -5.877 605 1HD2 ASN 82 21HD ASN 82 -6.677 10.524 -2.711 606 2HD2 ASN 82 22HD ASN 82 -6.743 12.213 -3.122 607 H THR 83 H THR 83 -7.526 6.237 -3.211 608 HA THR 83 HA THR 83 -8.145 4.745 -5.451 609 HB THR 83 HB THR 83 -8.404 2.904 -3.686 610 HG1 THR 83 HG1 THR 83 -8.887 4.550 -2.059 611 1HG2 THR 83 21HG THR 83 -6.326 3.310 -4.942 612 2HG2 THR 83 22HG THR 83 -5.974 2.889 -3.265 613 3HG2 THR 83 23HG THR 83 -5.879 4.568 -3.793 614 H LYS 84 H LYS 84 -9.914 3.501 -5.988 615 HA LYS 84 HA LYS 84 -12.411 4.217 -4.684 616 1HB LYS 84 1HB LYS 84 -13.432 3.353 -6.941 617 2HB LYS 84 2HB LYS 84 -12.739 4.954 -6.866 618 1HG LYS 84 1HG LYS 84 -12.091 3.917 -8.930 619 2HG LYS 84 2HG LYS 84 -10.672 4.070 -7.901 620 1HD LYS 84 1HD LYS 84 -10.908 1.699 -7.271 621 2HD LYS 84 2HD LYS 84 -12.296 1.571 -8.343 622 1HE LYS 84 1HE LYS 84 -9.486 2.303 -9.212 623 2HE LYS 84 2HE LYS 84 -10.215 0.713 -9.382 624 1HZ LYS 84 1HZ LYS 84 -11.853 1.666 -10.881 625 2HZ LYS 84 2HZ LYS 84 -10.289 1.986 -11.421 626 3HZ LYS 84 3HZ LYS 84 -11.169 3.208 -10.693 627 H GLY 85 H GLY 85 -14.068 2.251 -5.440 628 1HA GLY 85 1HA GLY 85 -13.961 0.256 -3.700 629 2HA GLY 85 2HA GLY 85 -14.675 0.036 -5.281 630 H ASN 86 H ASN 86 -13.050 -0.681 -7.022 631 HA ASN 86 HA ASN 86 -11.558 -2.868 -5.831 632 1HB ASN 86 1HB ASN 86 -12.198 -2.253 -8.713 633 2HB ASN 86 2HB ASN 86 -11.028 -3.481 -8.268 634 1HD2 ASN 86 21HD ASN 86 -14.392 -2.602 -8.244 635 2HD2 ASN 86 22HD ASN 86 -14.994 -4.176 -7.892 636 H VAL 87 H VAL 87 -9.750 -2.442 -5.044 637 HA VAL 87 HA VAL 87 -7.965 -0.559 -6.413 638 HB VAL 87 HB VAL 87 -7.314 -1.745 -3.783 639 1HG1 VAL 87 11HG VAL 87 -6.770 0.944 -4.987 640 2HG1 VAL 87 12HG VAL 87 -5.674 -0.428 -4.924 641 3HG1 VAL 87 13HG VAL 87 -6.173 0.367 -3.424 642 1HG2 VAL 87 21HG VAL 87 -9.567 -1.061 -3.446 643 2HG2 VAL 87 22HG VAL 87 -9.251 0.544 -4.122 644 3HG2 VAL 87 23HG VAL 87 -8.501 0.054 -2.589 645 H ARG 88 H ARG 88 -6.022 -1.246 -7.085 646 HA ARG 88 HA ARG 88 -5.368 -4.071 -6.750 647 1HB ARG 88 1HB ARG 88 -4.555 -2.024 -8.790 648 2HB ARG 88 2HB ARG 88 -3.788 -3.602 -8.651 649 1HG ARG 88 1HG ARG 88 -5.679 -4.729 -9.266 650 2HG ARG 88 2HG ARG 88 -6.750 -3.359 -8.938 651 1HD ARG 88 1HD ARG 88 -6.491 -3.662 -11.292 652 2HD ARG 88 2HD ARG 88 -5.738 -2.153 -10.761 653 HE ARG 88 HE ARG 88 -3.989 -4.467 -11.024 654 1HH1 ARG 88 11HH ARG 88 -5.070 -1.381 -12.459 655 2HH1 ARG 88 12HH ARG 88 -3.795 -1.355 -13.596 656 1HH2 ARG 88 21HH ARG 88 -2.302 -4.374 -12.592 657 2HH2 ARG 88 22HH ARG 88 -2.194 -3.047 -13.664 658 H PHE 89 H PHE 89 -4.367 -4.048 -4.824 659 HA PHE 89 HA PHE 89 -2.202 -2.143 -4.356 660 1HB PHE 89 1HB PHE 89 -3.131 -4.401 -2.575 661 2HB PHE 89 2HB PHE 89 -2.007 -3.137 -2.176 662 HD1 PHE 89 HD1 PHE 89 -5.493 -4.015 -2.573 663 HD2 PHE 89 HD2 PHE 89 -2.734 -0.925 -1.694 664 HE1 PHE 89 HE1 PHE 89 -7.306 -2.663 -1.620 665 HE2 PHE 89 HE2 PHE 89 -4.519 0.420 -0.753 666 HZ PHE 89 HZ PHE 89 -6.824 -0.453 -0.706 667 H VAL 90 H VAL 90 -0.429 -2.800 -5.542 668 HA VAL 90 HA VAL 90 0.192 -5.612 -5.436 669 HB VAL 90 HB VAL 90 1.783 -3.326 -6.636 670 1HG1 VAL 90 11HG VAL 90 2.148 -6.317 -6.921 671 2HG1 VAL 90 12HG VAL 90 3.200 -5.229 -6.019 672 3HG1 VAL 90 13HG VAL 90 3.086 -5.090 -7.774 673 1HG2 VAL 90 21HG VAL 90 -0.325 -3.667 -7.798 674 2HG2 VAL 90 22HG VAL 90 0.049 -5.381 -7.997 675 3HG2 VAL 90 23HG VAL 90 1.031 -4.161 -8.811 676 H ILE 91 H ILE 91 0.532 -5.889 -3.350 677 HA ILE 91 HA ILE 91 2.713 -4.432 -2.074 678 HB ILE 91 HB ILE 91 0.301 -5.926 -1.070 679 1HG1 ILE 91 11HG ILE 91 1.174 -3.099 -0.664 680 2HG1 ILE 91 12HG ILE 91 0.001 -3.616 -1.870 681 1HG2 ILE 91 21HG ILE 91 2.121 -6.512 0.428 682 2HG2 ILE 91 22HG ILE 91 0.976 -5.432 1.227 683 3HG2 ILE 91 23HG ILE 91 2.516 -4.804 0.638 684 1HD1 ILE 91 11HD ILE 91 -1.067 -2.719 0.025 685 2HD1 ILE 91 12HD ILE 91 -0.215 -3.887 1.072 686 3HD1 ILE 91 13HD ILE 91 -1.373 -4.458 -0.176 687 H GLY 92 H GLY 92 4.175 -5.754 -0.911 688 1HA GLY 92 1HA GLY 92 4.090 -8.484 -1.855 689 2HA GLY 92 2HA GLY 92 5.620 -7.627 -1.673 690 H ARG 93 H ARG 93 5.074 -9.992 -0.418 691 HA ARG 93 HA ARG 93 5.110 -9.203 2.432 692 1HB ARG 93 1HB ARG 93 2.984 -10.347 1.872 693 2HB ARG 93 2HB ARG 93 3.912 -11.668 1.190 694 1HG ARG 93 1HG ARG 93 2.973 -12.301 3.319 695 2HG ARG 93 2HG ARG 93 4.728 -12.265 3.415 696 1HD ARG 93 1HD ARG 93 3.116 -9.890 4.266 697 2HD ARG 93 2HD ARG 93 3.279 -11.271 5.342 698 HE ARG 93 HE ARG 93 5.794 -10.862 4.826 699 1HH1 ARG 93 11HH ARG 93 3.299 -8.402 5.534 700 2HH1 ARG 93 12HH ARG 93 4.358 -7.330 6.305 701 1HH2 ARG 93 21HH ARG 93 7.232 -9.389 5.941 702 2HH2 ARG 93 22HH ARG 93 6.671 -7.894 6.510 703 H GLU 94 H GLU 94 7.076 -9.637 3.197 704 HA GLU 94 HA GLU 94 8.662 -11.686 1.988 705 1HB GLU 94 1HB GLU 94 10.413 -11.094 3.638 706 2HB GLU 94 2HB GLU 94 9.817 -9.646 2.851 707 1HG GLU 94 1HG GLU 94 8.493 -9.109 4.796 708 2HG GLU 94 2HG GLU 94 9.015 -10.595 5.592 Start of MODEL 16 1 1H GLY 1 1H GLY 1 14.358 -15.014 1.439 2 2H GLY 1 2H GLY 1 13.005 -15.830 1.995 3 3H GLY 1 3H GLY 1 13.053 -14.125 2.017 4 1HA GLY 1 1HA GLY 1 13.107 -15.813 -0.396 5 2HA GLY 1 2HA GLY 1 11.694 -14.947 0.190 6 H HIS 2 H HIS 2 11.809 -13.918 -1.945 7 HA HIS 2 HA HIS 2 13.886 -11.815 -2.101 8 1HB HIS 2 1HB HIS 2 12.227 -13.031 -4.319 9 2HB HIS 2 2HB HIS 2 13.392 -11.735 -4.530 10 HD1 HIS 2 HD1 HIS 2 13.110 -15.255 -4.957 11 HD2 HIS 2 HD2 HIS 2 16.089 -12.692 -3.612 12 HE1 HIS 2 HE1 HIS 2 15.278 -16.531 -5.172 13 H MET 3 H MET 3 11.204 -11.910 -0.694 14 HA MET 3 HA MET 3 9.443 -10.657 -0.213 15 1HB MET 3 1HB MET 3 10.941 -8.747 -0.513 16 2HB MET 3 2HB MET 3 10.543 -8.689 -2.219 17 1HG MET 3 1HG MET 3 8.208 -8.176 -1.674 18 2HG MET 3 2HG MET 3 8.585 -8.211 0.046 19 1HE MET 3 1HE MET 3 7.701 -5.803 0.569 20 2HE MET 3 2HE MET 3 7.109 -5.702 -1.089 21 3HE MET 3 3HE MET 3 8.066 -4.385 -0.412 22 H GLU 4 H GLU 4 7.557 -11.316 -0.742 23 HA GLU 4 HA GLU 4 7.041 -12.090 -3.488 24 1HB GLU 4 1HB GLU 4 6.453 -13.559 -1.527 25 2HB GLU 4 2HB GLU 4 5.317 -12.296 -1.053 26 1HG GLU 4 1HG GLU 4 4.003 -12.648 -3.035 27 2HG GLU 4 2HG GLU 4 5.190 -13.782 -3.656 28 H LEU 5 H LEU 5 6.438 -10.433 -4.772 29 HA LEU 5 HA LEU 5 4.722 -8.365 -3.701 30 1HB LEU 5 1HB LEU 5 5.812 -8.688 -6.502 31 2HB LEU 5 2HB LEU 5 4.983 -7.279 -5.874 32 HG LEU 5 HG LEU 5 7.160 -6.649 -5.953 33 1HD1 LEU 5 11HD LEU 5 6.225 -6.114 -3.815 34 2HD1 LEU 5 12HD LEU 5 7.970 -6.384 -3.702 35 3HD1 LEU 5 13HD LEU 5 6.847 -7.644 -3.183 36 1HD2 LEU 5 21HD LEU 5 8.192 -8.781 -6.461 37 2HD2 LEU 5 22HD LEU 5 8.036 -9.276 -4.777 38 3HD2 LEU 5 23HD LEU 5 9.099 -7.936 -5.208 39 H PHE 6 H PHE 6 2.596 -8.506 -3.863 40 HA PHE 6 HA PHE 6 1.476 -10.315 -5.837 41 1HB PHE 6 1HB PHE 6 -0.182 -10.911 -4.000 42 2HB PHE 6 2HB PHE 6 1.386 -11.711 -3.948 43 HD1 PHE 6 HD1 PHE 6 2.788 -11.303 -2.027 44 HD2 PHE 6 HD2 PHE 6 -0.799 -9.145 -2.557 45 HE1 PHE 6 HE1 PHE 6 2.986 -10.474 0.263 46 HE2 PHE 6 HE2 PHE 6 -0.635 -8.278 -0.238 47 HZ PHE 6 HZ PHE 6 1.271 -8.945 1.172 48 HA PRO 7 HA PRO 7 -1.499 -7.000 -6.288 49 1HB PRO 7 1HB PRO 7 -3.138 -8.182 -7.921 50 2HB PRO 7 2HB PRO 7 -1.504 -7.759 -8.431 51 1HG PRO 7 1HG PRO 7 -2.535 -10.455 -7.537 52 2HG PRO 7 2HG PRO 7 -1.500 -10.085 -8.944 53 1HD PRO 7 1HD PRO 7 -0.627 -10.976 -6.482 54 2HD PRO 7 2HD PRO 7 0.365 -10.016 -7.619 55 H VAL 8 H VAL 8 -2.941 -6.506 -4.830 56 HA VAL 8 HA VAL 8 -4.918 -8.531 -4.114 57 HB VAL 8 HB VAL 8 -4.257 -6.056 -2.525 58 1HG1 VAL 8 11HG VAL 8 -6.478 -6.890 -2.092 59 2HG1 VAL 8 12HG VAL 8 -5.456 -7.187 -0.684 60 3HG1 VAL 8 13HG VAL 8 -5.845 -8.506 -1.787 61 1HG2 VAL 8 21HG VAL 8 -3.247 -8.855 -2.093 62 2HG2 VAL 8 22HG VAL 8 -3.065 -7.530 -0.936 63 3HG2 VAL 8 23HG VAL 8 -2.304 -7.433 -2.529 64 H GLU 9 H GLU 9 -6.596 -8.129 -5.422 65 HA GLU 9 HA GLU 9 -7.233 -5.354 -5.991 66 1HB GLU 9 1HB GLU 9 -7.188 -6.992 -7.878 67 2HB GLU 9 2HB GLU 9 -8.545 -7.831 -7.139 68 1HG GLU 9 1HG GLU 9 -9.972 -5.934 -7.453 69 2HG GLU 9 2HG GLU 9 -8.613 -4.948 -7.997 70 H LEU 10 H LEU 10 -8.277 -4.417 -4.496 71 HA LEU 10 HA LEU 10 -9.991 -5.881 -2.658 72 1HB LEU 10 1HB LEU 10 -8.100 -4.000 -2.354 73 2HB LEU 10 2HB LEU 10 -9.488 -2.960 -2.540 74 HG LEU 10 HG LEU 10 -9.084 -3.176 -0.228 75 1HD1 LEU 10 11HD LEU 10 -11.429 -3.283 -0.780 76 2HD1 LEU 10 12HD LEU 10 -11.072 -4.193 0.684 77 3HD1 LEU 10 13HD LEU 10 -11.343 -5.039 -0.840 78 1HD2 LEU 10 21HD LEU 10 -8.893 -5.318 0.928 79 2HD2 LEU 10 22HD LEU 10 -7.627 -5.090 -0.279 80 3HD2 LEU 10 23HD LEU 10 -8.991 -6.152 -0.621 81 H GLU 11 H GLU 11 -12.194 -5.455 -2.604 82 HA GLU 11 HA GLU 11 -13.170 -3.367 -4.390 83 1HB GLU 11 1HB GLU 11 -14.035 -5.564 -5.044 84 2HB GLU 11 2HB GLU 11 -14.579 -5.867 -3.401 85 1HG GLU 11 1HG GLU 11 -16.227 -4.106 -3.587 86 2HG GLU 11 2HG GLU 11 -15.635 -3.694 -5.196 87 H LYS 12 H LYS 12 -12.733 -1.795 -2.867 88 HA LYS 12 HA LYS 12 -13.686 -1.968 -0.276 89 1HB LYS 12 1HB LYS 12 -12.014 -0.202 -1.786 90 2HB LYS 12 2HB LYS 12 -13.163 0.724 -0.853 91 1HG LYS 12 1HG LYS 12 -11.524 -1.483 0.238 92 2HG LYS 12 2HG LYS 12 -10.984 0.213 0.329 93 1HD LYS 12 1HD LYS 12 -13.261 0.690 1.462 94 2HD LYS 12 2HD LYS 12 -13.431 -1.050 1.601 95 1HE LYS 12 1HE LYS 12 -11.947 -1.196 3.317 96 2HE LYS 12 2HE LYS 12 -11.032 0.235 2.838 97 1HZ LYS 12 1HZ LYS 12 -12.498 0.663 4.834 98 2HZ LYS 12 2HZ LYS 12 -13.856 0.378 3.814 99 3HZ LYS 12 3HZ LYS 12 -12.830 1.614 3.498 100 H ASP 13 H ASP 13 -14.930 -0.188 0.688 101 HA ASP 13 HA ASP 13 -17.565 -0.259 -0.410 102 1HB ASP 13 1HB ASP 13 -18.133 0.708 1.846 103 2HB ASP 13 2HB ASP 13 -17.360 -0.874 1.877 104 H GLU 14 H GLU 14 -18.732 1.965 0.530 105 HA GLU 14 HA GLU 14 -17.862 3.754 -1.524 106 1HB GLU 14 1HB GLU 14 -19.881 5.007 -1.125 107 2HB GLU 14 2HB GLU 14 -20.206 3.290 -1.317 108 1HG GLU 14 1HG GLU 14 -20.504 3.092 1.098 109 2HG GLU 14 2HG GLU 14 -20.142 4.809 1.281 110 H ASP 15 H ASP 15 -17.075 3.563 1.697 111 HA ASP 15 HA ASP 15 -16.764 6.408 2.113 112 1HB ASP 15 1HB ASP 15 -17.008 4.988 4.088 113 2HB ASP 15 2HB ASP 15 -15.596 4.052 3.616 114 H GLY 16 H GLY 16 -14.749 3.687 1.310 115 1HA GLY 16 1HA GLY 16 -13.054 4.202 -0.435 116 2HA GLY 16 2HA GLY 16 -12.569 5.539 0.632 117 H LEU 17 H LEU 17 -10.478 4.489 0.744 118 HA LEU 17 HA LEU 17 -10.364 1.813 1.775 119 1HB LEU 17 1HB LEU 17 -8.051 3.709 1.929 120 2HB LEU 17 2HB LEU 17 -8.048 1.970 1.769 121 HG LEU 17 HG LEU 17 -8.658 4.002 -0.277 122 1HD1 LEU 17 11HD LEU 17 -6.336 3.725 0.117 123 2HD1 LEU 17 12HD LEU 17 -6.712 2.951 -1.424 124 3HD1 LEU 17 13HD LEU 17 -6.473 1.973 0.026 125 1HD2 LEU 17 21HD LEU 17 -8.955 2.162 -1.888 126 2HD2 LEU 17 22HD LEU 17 -10.188 2.145 -0.628 127 3HD2 LEU 17 23HD LEU 17 -8.845 1.000 -0.562 128 H GLY 18 H GLY 18 -9.641 5.012 2.988 129 1HA GLY 18 1HA GLY 18 -9.549 5.871 5.106 130 2HA GLY 18 2HA GLY 18 -10.451 4.454 5.641 131 H ILE 19 H ILE 19 -7.455 4.180 3.911 132 HA ILE 19 HA ILE 19 -6.349 3.001 6.347 133 HB ILE 19 HB ILE 19 -4.819 1.708 5.046 134 1HG1 ILE 19 11HG ILE 19 -5.777 3.164 2.582 135 2HG1 ILE 19 12HG ILE 19 -4.243 3.488 3.387 136 1HG2 ILE 19 21HG ILE 19 -7.078 0.811 5.097 137 2HG2 ILE 19 22HG ILE 19 -6.333 0.452 3.535 138 3HG2 ILE 19 23HG ILE 19 -7.502 1.763 3.683 139 1HD1 ILE 19 11HD ILE 19 -5.057 0.897 2.075 140 2HD1 ILE 19 12HD ILE 19 -3.566 1.154 2.973 141 3HD1 ILE 19 13HD ILE 19 -3.854 2.049 1.486 142 H SER 20 H SER 20 -3.838 3.186 6.418 143 HA SER 20 HA SER 20 -3.078 5.964 5.853 144 1HB SER 20 1HB SER 20 -2.662 4.529 8.490 145 2HB SER 20 2HB SER 20 -2.232 6.197 8.131 146 HG SER 20 HG SER 20 -4.356 5.488 9.258 147 H ILE 21 H ILE 21 -0.913 6.244 5.574 148 HA ILE 21 HA ILE 21 0.710 3.801 5.272 149 HB ILE 21 HB ILE 21 1.954 5.005 3.550 150 1HG1 ILE 21 11HG ILE 21 0.485 7.156 2.678 151 2HG1 ILE 21 12HG ILE 21 0.233 7.238 4.392 152 1HG2 ILE 21 21HG ILE 21 0.266 5.024 1.781 153 2HG2 ILE 21 22HG ILE 21 -1.002 4.948 3.005 154 3HG2 ILE 21 23HG ILE 21 0.135 3.607 2.825 155 1HD1 ILE 21 11HD ILE 21 2.598 7.410 4.840 156 2HD1 ILE 21 12HD ILE 21 2.138 8.651 3.687 157 3HD1 ILE 21 13HD ILE 21 2.971 7.217 3.140 158 H ILE 22 H ILE 22 3.013 4.139 5.696 159 HA ILE 22 HA ILE 22 3.487 6.512 7.273 160 HB ILE 22 HB ILE 22 3.212 4.736 8.853 161 1HG1 ILE 22 11HG ILE 22 6.141 5.482 8.665 162 2HG1 ILE 22 12HG ILE 22 4.877 6.470 9.380 163 1HG2 ILE 22 21HG ILE 22 3.705 2.815 7.543 164 2HG2 ILE 22 22HG ILE 22 4.729 2.799 8.981 165 3HG2 ILE 22 23HG ILE 22 5.401 3.289 7.420 166 1HD1 ILE 22 11HD ILE 22 4.542 4.774 11.113 167 2HD1 ILE 22 12HD ILE 22 6.200 5.364 11.084 168 3HD1 ILE 22 13HD ILE 22 5.814 3.791 10.387 169 H GLY 23 H GLY 23 5.340 7.581 6.863 170 1HA GLY 23 1HA GLY 23 6.814 6.601 4.564 171 2HA GLY 23 2HA GLY 23 6.869 8.249 5.157 172 H MET 24 H MET 24 8.204 5.161 5.214 173 HA MET 24 HA MET 24 10.228 5.933 7.252 174 1HB MET 24 1HB MET 24 9.424 3.189 6.244 175 2HB MET 24 2HB MET 24 10.672 3.507 7.430 176 1HG MET 24 1HG MET 24 7.727 4.067 7.798 177 2HG MET 24 2HG MET 24 8.594 2.672 8.415 178 1HE MET 24 1HE MET 24 10.356 2.718 10.350 179 2HE MET 24 2HE MET 24 10.995 4.204 11.055 180 3HE MET 24 3HE MET 24 11.352 3.805 9.378 181 H GLY 25 H GLY 25 12.246 4.578 6.690 182 1HA GLY 25 1HA GLY 25 12.717 4.482 3.795 183 2HA GLY 25 2HA GLY 25 13.848 5.371 4.816 184 H VAL 26 H VAL 26 12.612 2.235 3.963 185 HA VAL 26 HA VAL 26 14.340 1.003 5.915 186 HB VAL 26 HB VAL 26 12.061 0.122 5.784 187 1HG1 VAL 26 11HG VAL 26 11.555 0.506 3.453 188 2HG1 VAL 26 12HG VAL 26 11.270 -1.182 3.875 189 3HG1 VAL 26 13HG VAL 26 12.716 -0.731 2.977 190 1HG2 VAL 26 21HG VAL 26 14.129 -1.874 4.866 191 2HG2 VAL 26 22HG VAL 26 12.581 -2.280 5.602 192 3HG2 VAL 26 23HG VAL 26 13.793 -1.397 6.532 193 H GLY 27 H GLY 27 16.261 0.429 5.511 194 1HA GLY 27 1HA GLY 27 18.055 -0.490 4.524 195 2HA GLY 27 2HA GLY 27 16.993 -1.114 3.270 196 H ALA 28 H ALA 28 17.057 2.251 3.878 197 HA ALA 28 HA ALA 28 17.727 2.896 1.211 198 1HB ALA 28 1HB ALA 28 17.752 5.215 1.974 199 2HB ALA 28 2HB ALA 28 17.757 4.675 3.652 200 3HB ALA 28 3HB ALA 28 16.356 4.357 2.627 201 H ASP 29 H ASP 29 19.552 2.830 4.167 202 HA ASP 29 HA ASP 29 22.001 3.363 2.605 203 1HB ASP 29 1HB ASP 29 21.500 3.833 5.554 204 2HB ASP 29 2HB ASP 29 23.050 4.061 4.755 205 H ALA 30 H ALA 30 20.385 0.888 3.416 206 HA ALA 30 HA ALA 30 22.586 -0.569 4.715 207 1HB ALA 30 1HB ALA 30 19.721 -1.468 4.608 208 2HB ALA 30 2HB ALA 30 20.397 -0.503 5.920 209 3HB ALA 30 3HB ALA 30 21.017 -2.123 5.609 210 H GLY 31 H GLY 31 21.663 -0.039 1.715 211 1HA GLY 31 1HA GLY 31 22.692 -1.248 -0.057 212 2HA GLY 31 2HA GLY 31 22.589 -2.691 0.927 213 H LEU 32 H LEU 32 19.670 -0.964 0.935 214 HA LEU 32 HA LEU 32 18.624 -2.892 -1.013 215 1HB LEU 32 1HB LEU 32 17.232 -1.507 1.275 216 2HB LEU 32 2HB LEU 32 16.375 -2.376 0.036 217 HG LEU 32 HG LEU 32 17.547 -4.472 0.777 218 1HD1 LEU 32 11HD LEU 32 18.599 -4.531 2.970 219 2HD1 LEU 32 12HD LEU 32 18.457 -2.777 3.096 220 3HD1 LEU 32 13HD LEU 32 19.494 -3.489 1.862 221 1HD2 LEU 32 21HD LEU 32 16.183 -4.757 2.779 222 2HD2 LEU 32 22HD LEU 32 15.287 -3.962 1.485 223 3HD2 LEU 32 23HD LEU 32 15.907 -3.018 2.839 224 H GLU 33 H GLU 33 17.895 0.338 0.208 225 HA GLU 33 HA GLU 33 16.821 2.076 -0.622 226 1HB GLU 33 1HB GLU 33 18.344 1.371 -3.119 227 2HB GLU 33 2HB GLU 33 17.374 2.823 -2.955 228 1HG GLU 33 1HG GLU 33 18.782 3.398 -0.961 229 2HG GLU 33 2HG GLU 33 19.839 2.066 -1.441 230 H LYS 34 H LYS 34 14.837 1.357 -0.314 231 HA LYS 34 HA LYS 34 13.344 1.010 -2.751 232 1HB LYS 34 1HB LYS 34 12.260 -0.970 -2.102 233 2HB LYS 34 2HB LYS 34 13.913 -1.288 -1.615 234 1HG LYS 34 1HG LYS 34 13.023 -0.355 0.745 235 2HG LYS 34 2HG LYS 34 11.508 -0.728 0.026 236 1HD LYS 34 1HD LYS 34 13.698 -2.773 0.250 237 2HD LYS 34 2HD LYS 34 12.350 -2.612 1.374 238 1HE LYS 34 1HE LYS 34 10.777 -3.048 -0.434 239 2HE LYS 34 2HE LYS 34 12.114 -3.143 -1.579 240 1HZ LYS 34 1HZ LYS 34 12.948 -5.056 -0.384 241 2HZ LYS 34 2HZ LYS 34 11.357 -5.323 -0.890 242 3HZ LYS 34 3HZ LYS 34 11.675 -4.971 0.723 243 H LEU 35 H LEU 35 11.023 1.138 -2.043 244 HA LEU 35 HA LEU 35 10.441 3.552 -0.834 245 1HB LEU 35 1HB LEU 35 8.171 2.844 -0.808 246 2HB LEU 35 2HB LEU 35 8.926 2.282 -2.290 247 HG LEU 35 HG LEU 35 8.644 0.475 0.095 248 1HD1 LEU 35 11HD LEU 35 6.682 0.916 -2.104 249 2HD1 LEU 35 12HD LEU 35 6.500 1.290 -0.366 250 3HD1 LEU 35 13HD LEU 35 6.667 -0.386 -0.901 251 1HD2 LEU 35 21HD LEU 35 8.942 -0.013 -2.847 252 2HD2 LEU 35 22HD LEU 35 8.584 -1.274 -1.668 253 3HD2 LEU 35 23HD LEU 35 10.114 -0.402 -1.581 254 H GLY 36 H GLY 36 9.839 4.093 1.232 255 1HA GLY 36 1HA GLY 36 10.074 1.995 3.261 256 2HA GLY 36 2HA GLY 36 10.349 3.715 3.544 257 H ILE 37 H ILE 37 7.729 2.854 1.527 258 HA ILE 37 HA ILE 37 5.977 4.011 3.502 259 HB ILE 37 HB ILE 37 5.283 3.081 0.708 260 1HG1 ILE 37 11HG ILE 37 7.002 4.891 0.838 261 2HG1 ILE 37 12HG ILE 37 5.514 5.415 0.020 262 1HG2 ILE 37 21HG ILE 37 3.351 3.185 2.187 263 2HG2 ILE 37 22HG ILE 37 3.279 4.551 1.061 264 3HG2 ILE 37 23HG ILE 37 3.825 4.786 2.725 265 1HD1 ILE 37 11HD ILE 37 6.363 7.140 1.451 266 2HD1 ILE 37 12HD ILE 37 6.480 5.999 2.790 267 3HD1 ILE 37 13HD ILE 37 4.893 6.483 2.188 268 H PHE 38 H PHE 38 5.413 2.698 4.987 269 HA PHE 38 HA PHE 38 4.579 -0.025 4.291 270 1HB PHE 38 1HB PHE 38 5.245 1.255 6.922 271 2HB PHE 38 2HB PHE 38 4.596 -0.370 6.788 272 HD1 PHE 38 HD1 PHE 38 5.935 -2.129 5.715 273 HD2 PHE 38 HD2 PHE 38 7.522 1.723 6.492 274 HE1 PHE 38 HE1 PHE 38 8.196 -3.032 5.487 275 HE2 PHE 38 HE2 PHE 38 9.805 0.840 6.262 276 HZ PHE 38 HZ PHE 38 10.145 -1.548 5.759 277 H VAL 39 H VAL 39 2.639 -0.837 5.385 278 HA VAL 39 HA VAL 39 0.536 1.100 5.205 279 HB VAL 39 HB VAL 39 0.412 -1.779 6.197 280 1HG1 VAL 39 11HG VAL 39 -1.979 -1.627 5.644 281 2HG1 VAL 39 12HG VAL 39 -1.757 0.064 5.200 282 3HG1 VAL 39 13HG VAL 39 -1.511 -0.445 6.870 283 1HG2 VAL 39 21HG VAL 39 -0.363 -2.365 3.940 284 2HG2 VAL 39 22HG VAL 39 1.270 -1.700 3.909 285 3HG2 VAL 39 23HG VAL 39 -0.097 -0.701 3.425 286 H LYS 40 H LYS 40 0.087 2.385 6.803 287 HA LYS 40 HA LYS 40 1.267 1.951 9.389 288 1HB LYS 40 1HB LYS 40 1.369 4.176 8.437 289 2HB LYS 40 2HB LYS 40 -0.355 4.214 8.237 290 1HG LYS 40 1HG LYS 40 0.171 5.675 10.031 291 2HG LYS 40 2HG LYS 40 -0.588 4.252 10.724 292 1HD LYS 40 1HD LYS 40 2.418 4.655 10.675 293 2HD LYS 40 2HD LYS 40 1.397 5.237 11.975 294 1HE LYS 40 1HE LYS 40 0.613 2.875 12.290 295 2HE LYS 40 2HE LYS 40 1.810 2.405 11.103 296 1HZ LYS 40 1HZ LYS 40 2.546 3.852 13.577 297 2HZ LYS 40 2HZ LYS 40 3.600 3.029 12.544 298 3HZ LYS 40 3HZ LYS 40 2.491 2.201 13.488 299 H THR 41 H THR 41 -1.902 2.076 7.895 300 HA THR 41 HA THR 41 -3.079 0.555 10.051 301 HB THR 41 HB THR 41 -4.495 2.911 9.139 302 HG1 THR 41 HG1 THR 41 -2.417 2.900 11.122 303 1HG2 THR 41 21HG THR 41 -5.481 2.869 11.430 304 2HG2 THR 41 22HG THR 41 -4.452 1.480 11.784 305 3HG2 THR 41 23HG THR 41 -5.682 1.373 10.517 306 H VAL 42 H VAL 42 -5.165 -0.183 9.256 307 HA VAL 42 HA VAL 42 -5.744 0.482 6.535 308 HB VAL 42 HB VAL 42 -4.452 -1.494 6.142 309 1HG1 VAL 42 11HG VAL 42 -4.498 -2.378 8.356 310 2HG1 VAL 42 12HG VAL 42 -4.960 -3.649 7.197 311 3HG1 VAL 42 13HG VAL 42 -6.195 -2.810 8.172 312 1HG2 VAL 42 21HG VAL 42 -6.072 -2.966 5.055 313 2HG2 VAL 42 22HG VAL 42 -6.522 -1.255 4.866 314 3HG2 VAL 42 23HG VAL 42 -7.372 -2.255 6.025 315 H THR 43 H THR 43 -7.448 1.440 6.876 316 HA THR 43 HA THR 43 -9.523 2.095 7.349 317 HB THR 43 HB THR 43 -9.944 0.408 5.555 318 HG1 THR 43 HG1 THR 43 -11.683 1.670 6.548 319 1HG2 THR 43 21HG THR 43 -10.712 -1.403 7.821 320 2HG2 THR 43 22HG THR 43 -9.366 -1.631 6.699 321 3HG2 THR 43 23HG THR 43 -11.034 -1.727 6.117 322 H GLU 44 H GLU 44 -11.576 1.863 8.727 323 HA GLU 44 HA GLU 44 -10.926 1.334 11.415 324 1HB GLU 44 1HB GLU 44 -13.298 1.803 11.776 325 2HB GLU 44 2HB GLU 44 -12.559 3.035 10.756 326 1HG GLU 44 1HG GLU 44 -13.556 2.116 8.822 327 2HG GLU 44 2HG GLU 44 -14.065 0.686 9.710 328 H GLY 45 H GLY 45 -12.328 -0.304 8.811 329 1HA GLY 45 1HA GLY 45 -11.942 -2.804 9.137 330 2HA GLY 45 2HA GLY 45 -13.162 -2.616 10.419 331 H GLY 46 H GLY 46 -12.985 -0.981 7.234 332 1HA GLY 46 1HA GLY 46 -15.565 -2.002 6.613 333 2HA GLY 46 2HA GLY 46 -14.586 -0.876 5.669 334 H ALA 47 H ALA 47 -14.840 -1.985 3.834 335 HA ALA 47 HA ALA 47 -14.650 -4.767 3.568 336 1HB ALA 47 1HB ALA 47 -14.740 -4.476 1.193 337 2HB ALA 47 2HB ALA 47 -14.268 -2.788 1.357 338 3HB ALA 47 3HB ALA 47 -15.824 -3.328 1.981 339 H ALA 48 H ALA 48 -12.066 -2.750 4.047 340 HA ALA 48 HA ALA 48 -10.135 -4.247 2.444 341 1HB ALA 48 1HB ALA 48 -9.600 -2.127 4.535 342 2HB ALA 48 2HB ALA 48 -9.748 -1.839 2.802 343 3HB ALA 48 3HB ALA 48 -8.415 -2.811 3.423 344 H GLN 49 H GLN 49 -10.416 -3.643 5.973 345 HA GLN 49 HA GLN 49 -8.942 -5.939 6.612 346 1HB GLN 49 1HB GLN 49 -10.940 -4.397 8.242 347 2HB GLN 49 2HB GLN 49 -10.126 -5.819 8.884 348 1HG GLN 49 1HG GLN 49 -7.960 -4.681 8.374 349 2HG GLN 49 2HG GLN 49 -8.898 -3.235 7.985 350 1HE2 GLN 49 21HE GLN 49 -9.866 -2.091 9.654 351 2HE2 GLN 49 22HE GLN 49 -9.512 -2.416 11.304 352 H ARG 50 H ARG 50 -12.328 -5.612 5.809 353 HA ARG 50 HA ARG 50 -13.106 -8.154 6.703 354 1HB ARG 50 1HB ARG 50 -14.243 -6.505 4.463 355 2HB ARG 50 2HB ARG 50 -14.984 -7.964 5.097 356 1HG ARG 50 1HG ARG 50 -14.349 -5.556 6.711 357 2HG ARG 50 2HG ARG 50 -15.959 -5.863 6.012 358 1HD ARG 50 1HD ARG 50 -14.459 -7.487 8.077 359 2HD ARG 50 2HD ARG 50 -15.871 -6.476 8.356 360 HE ARG 50 HE ARG 50 -16.800 -8.181 6.555 361 1HH1 ARG 50 11HH ARG 50 -14.986 -8.713 9.556 362 2HH1 ARG 50 12HH ARG 50 -15.659 -10.235 9.873 363 1HH2 ARG 50 21HH ARG 50 -17.743 -10.319 6.993 364 2HH2 ARG 50 22HH ARG 50 -17.240 -11.172 8.380 365 H ASP 51 H ASP 51 -11.644 -6.996 3.725 366 HA ASP 51 HA ASP 51 -11.823 -9.249 2.097 367 1HB ASP 51 1HB ASP 51 -10.980 -7.184 1.199 368 2HB ASP 51 2HB ASP 51 -9.659 -7.165 2.356 369 H GLY 52 H GLY 52 -9.194 -8.378 4.290 370 1HA GLY 52 1HA GLY 52 -8.121 -9.779 5.808 371 2HA GLY 52 2HA GLY 52 -8.977 -11.138 5.113 372 H ARG 53 H ARG 53 -7.674 -9.764 2.437 373 HA ARG 53 HA ARG 53 -5.425 -11.595 2.577 374 1HB ARG 53 1HB ARG 53 -7.050 -11.228 0.542 375 2HB ARG 53 2HB ARG 53 -6.110 -9.782 0.250 376 1HG ARG 53 1HG ARG 53 -5.067 -12.618 0.232 377 2HG ARG 53 2HG ARG 53 -5.411 -11.632 -1.180 378 1HD ARG 53 1HD ARG 53 -3.669 -10.059 -0.494 379 2HD ARG 53 2HD ARG 53 -3.340 -11.046 0.923 380 HE ARG 53 HE ARG 53 -3.090 -12.140 -1.767 381 1HH1 ARG 53 11HH ARG 53 -1.554 -11.313 1.357 382 2HH1 ARG 53 12HH ARG 53 -0.120 -12.154 1.005 383 1HH2 ARG 53 21HH ARG 53 -1.057 -13.275 -2.201 384 2HH2 ARG 53 22HH ARG 53 0.167 -13.270 -1.029 385 H ILE 54 H ILE 54 -6.155 -8.188 2.195 386 HA ILE 54 HA ILE 54 -3.386 -7.376 2.305 387 HB ILE 54 HB ILE 54 -5.223 -6.029 1.116 388 1HG1 ILE 54 11HG ILE 54 -3.665 -4.527 3.245 389 2HG1 ILE 54 12HG ILE 54 -3.000 -5.060 1.709 390 1HG2 ILE 54 21HG ILE 54 -5.942 -5.383 3.963 391 2HG2 ILE 54 22HG ILE 54 -6.977 -6.201 2.785 392 3HG2 ILE 54 23HG ILE 54 -6.561 -4.493 2.568 393 1HD1 ILE 54 11HD ILE 54 -5.233 -3.063 2.059 394 2HD1 ILE 54 12HD ILE 54 -4.531 -3.590 0.523 395 3HD1 ILE 54 13HD ILE 54 -3.549 -2.698 1.670 396 H GLN 55 H GLN 55 -2.441 -6.194 4.134 397 HA GLN 55 HA GLN 55 -3.908 -6.488 6.610 398 1HB GLN 55 1HB GLN 55 -1.080 -7.397 6.153 399 2HB GLN 55 2HB GLN 55 -1.847 -7.318 7.721 400 1HG GLN 55 1HG GLN 55 -3.362 -9.091 7.143 401 2HG GLN 55 2HG GLN 55 -2.809 -9.069 5.470 402 1HE2 GLN 55 21HE GLN 55 -0.006 -8.817 6.001 403 2HE2 GLN 55 22HE GLN 55 0.527 -10.283 6.700 404 H VAL 56 H VAL 56 -2.668 -5.317 8.385 405 HA VAL 56 HA VAL 56 -1.651 -2.741 7.517 406 HB VAL 56 HB VAL 56 -3.153 -3.122 9.554 407 1HG1 VAL 56 11HG VAL 56 -2.179 -5.095 10.471 408 2HG1 VAL 56 12HG VAL 56 -2.098 -3.797 11.665 409 3HG1 VAL 56 13HG VAL 56 -0.655 -4.262 10.760 410 1HG2 VAL 56 21HG VAL 56 -2.007 -1.468 10.980 411 2HG2 VAL 56 22HG VAL 56 -1.982 -1.014 9.279 412 3HG2 VAL 56 23HG VAL 56 -0.538 -1.696 10.030 413 H ASN 57 H ASN 57 -0.450 -5.738 7.968 414 HA ASN 57 HA ASN 57 2.020 -5.027 9.254 415 1HB ASN 57 1HB ASN 57 0.724 -7.083 9.820 416 2HB ASN 57 2HB ASN 57 1.065 -7.700 8.216 417 1HD2 ASN 57 21HD ASN 57 3.274 -5.988 10.385 418 2HD2 ASN 57 22HD ASN 57 4.368 -7.308 10.559 419 H ASP 58 H ASP 58 0.993 -4.664 6.235 420 HA ASP 58 HA ASP 58 3.392 -5.758 4.977 421 1HB ASP 58 1HB ASP 58 0.638 -5.278 3.863 422 2HB ASP 58 2HB ASP 58 2.024 -5.670 2.856 423 H GLN 59 H GLN 59 3.244 -4.395 2.540 424 HA GLN 59 HA GLN 59 3.720 -1.599 3.240 425 1HB GLN 59 1HB GLN 59 5.881 -2.527 3.419 426 2HB GLN 59 2HB GLN 59 5.586 -3.604 2.061 427 1HG GLN 59 1HG GLN 59 5.869 -1.884 0.496 428 2HG GLN 59 2HG GLN 59 5.774 -0.634 1.734 429 1HE2 GLN 59 21HE GLN 59 7.535 -0.165 2.904 430 2HE2 GLN 59 22HE GLN 59 9.129 -0.736 2.524 431 H ILE 60 H ILE 60 2.916 -0.183 1.696 432 HA ILE 60 HA ILE 60 1.448 -1.240 -0.544 433 HB ILE 60 HB ILE 60 2.151 1.656 -0.008 434 1HG1 ILE 60 11HG ILE 60 0.849 0.821 1.918 435 2HG1 ILE 60 12HG ILE 60 -0.102 1.903 0.894 436 1HG2 ILE 60 21HG ILE 60 0.295 2.157 -1.498 437 2HG2 ILE 60 22HG ILE 60 -0.041 0.436 -1.648 438 3HG2 ILE 60 23HG ILE 60 1.455 1.082 -2.304 439 1HD1 ILE 60 11HD ILE 60 -1.432 0.021 1.658 440 2HD1 ILE 60 12HD ILE 60 -0.282 -1.087 0.920 441 3HD1 ILE 60 13HD ILE 60 -1.237 -0.001 -0.098 442 H VAL 61 H VAL 61 2.607 -1.943 -2.259 443 HA VAL 61 HA VAL 61 5.126 -0.620 -2.939 444 HB VAL 61 HB VAL 61 3.829 -3.142 -4.009 445 1HG1 VAL 61 11HG VAL 61 5.231 -2.161 -5.705 446 2HG1 VAL 61 12HG VAL 61 5.875 -3.674 -5.068 447 3HG1 VAL 61 13HG VAL 61 6.601 -2.131 -4.572 448 1HG2 VAL 61 21HG VAL 61 5.579 -4.321 -2.788 449 2HG2 VAL 61 22HG VAL 61 4.525 -3.392 -1.729 450 3HG2 VAL 61 23HG VAL 61 6.140 -2.787 -2.118 451 H GLU 62 H GLU 62 2.092 -1.497 -4.524 452 HA GLU 62 HA GLU 62 2.292 0.868 -6.237 453 1HB GLU 62 1HB GLU 62 3.309 -0.916 -7.545 454 2HB GLU 62 2HB GLU 62 1.929 -1.950 -7.246 455 1HG GLU 62 1HG GLU 62 0.498 -0.340 -8.447 456 2HG GLU 62 2HG GLU 62 1.942 0.609 -8.779 457 H VAL 63 H VAL 63 0.351 1.825 -6.160 458 HA VAL 63 HA VAL 63 -1.911 0.069 -5.787 459 HB VAL 63 HB VAL 63 -1.351 2.718 -4.455 460 1HG1 VAL 63 11HG VAL 63 -3.328 3.162 -5.815 461 2HG1 VAL 63 12HG VAL 63 -3.715 3.111 -4.092 462 3HG1 VAL 63 13HG VAL 63 -4.128 1.741 -5.140 463 1HG2 VAL 63 21HG VAL 63 -2.858 0.244 -3.704 464 2HG2 VAL 63 22HG VAL 63 -2.398 1.573 -2.641 465 3HG2 VAL 63 23HG VAL 63 -1.158 0.533 -3.362 466 H ASP 64 H ASP 64 -3.252 -0.053 -7.263 467 HA ASP 64 HA ASP 64 -4.653 0.352 -8.947 468 1HB ASP 64 1HB ASP 64 -5.211 2.477 -7.831 469 2HB ASP 64 2HB ASP 64 -3.892 3.270 -8.671 470 H GLY 65 H GLY 65 -1.557 0.895 -9.158 471 1HA GLY 65 1HA GLY 65 -0.271 0.120 -11.070 472 2HA GLY 65 2HA GLY 65 -1.523 0.844 -12.095 473 H ILE 66 H ILE 66 -0.825 2.776 -9.438 474 HA ILE 66 HA ILE 66 0.363 4.784 -11.075 475 HB ILE 66 HB ILE 66 -1.201 5.033 -8.909 476 1HG1 ILE 66 11HG ILE 66 1.155 6.877 -9.356 477 2HG1 ILE 66 12HG ILE 66 -0.276 6.843 -10.383 478 1HG2 ILE 66 21HG ILE 66 0.276 3.887 -7.369 479 2HG2 ILE 66 22HG ILE 66 0.097 5.586 -6.899 480 3HG2 ILE 66 23HG ILE 66 1.563 5.041 -7.716 481 1HD1 ILE 66 11HD ILE 66 -0.172 7.531 -7.475 482 2HD1 ILE 66 12HD ILE 66 -1.635 7.458 -8.454 483 3HD1 ILE 66 13HD ILE 66 -0.394 8.669 -8.809 484 H SER 67 H SER 67 1.565 2.212 -9.370 485 HA SER 67 HA SER 67 3.541 1.524 -8.421 486 1HB SER 67 1HB SER 67 4.393 3.086 -10.746 487 2HB SER 67 2HB SER 67 5.434 1.837 -9.984 488 HG SER 67 HG SER 67 3.599 0.335 -10.628 489 H LEU 68 H LEU 68 3.537 2.557 -6.485 490 HA LEU 68 HA LEU 68 4.876 5.143 -6.402 491 1HB LEU 68 1HB LEU 68 3.797 5.450 -4.246 492 2HB LEU 68 2HB LEU 68 2.626 5.104 -5.496 493 HG LEU 68 HG LEU 68 3.178 2.637 -4.440 494 1HD1 LEU 68 11HD LEU 68 2.913 2.880 -2.018 495 2HD1 LEU 68 12HD LEU 68 3.041 4.637 -2.194 496 3HD1 LEU 68 13HD LEU 68 4.407 3.614 -2.609 497 1HD2 LEU 68 21HD LEU 68 0.928 2.834 -3.506 498 2HD2 LEU 68 22HD LEU 68 1.091 3.425 -5.164 499 3HD2 LEU 68 23HD LEU 68 0.976 4.583 -3.828 500 H VAL 69 H VAL 69 5.731 2.299 -6.452 501 HA VAL 69 HA VAL 69 7.244 1.700 -4.182 502 HB VAL 69 HB VAL 69 6.722 -0.010 -5.808 503 1HG1 VAL 69 11HG VAL 69 8.477 1.427 -7.761 504 2HG1 VAL 69 12HG VAL 69 6.724 1.242 -7.837 505 3HG1 VAL 69 13HG VAL 69 7.769 -0.172 -8.001 506 1HG2 VAL 69 21HG VAL 69 9.677 0.434 -5.467 507 2HG2 VAL 69 22HG VAL 69 9.015 -1.000 -6.242 508 3HG2 VAL 69 23HG VAL 69 8.599 -0.658 -4.570 509 H GLY 70 H GLY 70 8.047 3.674 -3.631 510 1HA GLY 70 1HA GLY 70 10.390 4.444 -3.235 511 2HA GLY 70 2HA GLY 70 10.540 4.486 -4.992 512 H VAL 71 H VAL 71 7.952 5.630 -2.804 513 HA VAL 71 HA VAL 71 8.448 8.338 -3.788 514 HB VAL 71 HB VAL 71 6.050 8.851 -3.731 515 1HG1 VAL 71 11HG VAL 71 6.937 8.104 -5.842 516 2HG1 VAL 71 12HG VAL 71 5.278 7.540 -5.636 517 3HG1 VAL 71 13HG VAL 71 6.624 6.424 -5.409 518 1HG2 VAL 71 21HG VAL 71 4.363 7.144 -3.352 519 2HG2 VAL 71 22HG VAL 71 5.419 7.280 -1.949 520 3HG2 VAL 71 23HG VAL 71 5.617 5.934 -3.072 521 H THR 72 H THR 72 7.062 9.874 -2.236 522 HA THR 72 HA THR 72 8.062 9.312 0.414 523 HB THR 72 HB THR 72 7.196 11.663 0.788 524 HG1 THR 72 HG1 THR 72 7.305 11.944 -2.016 525 1HG2 THR 72 21HG THR 72 9.554 11.158 0.475 526 2HG2 THR 72 22HG THR 72 9.152 12.648 -0.385 527 3HG2 THR 72 23HG THR 72 9.348 11.136 -1.276 528 H GLN 73 H GLN 73 6.608 10.207 2.182 529 HA GLN 73 HA GLN 73 4.327 8.575 2.272 530 1HB GLN 73 1HB GLN 73 4.067 9.172 4.515 531 2HB GLN 73 2HB GLN 73 5.758 9.547 4.262 532 1HG GLN 73 1HG GLN 73 3.521 11.540 4.192 533 2HG GLN 73 2HG GLN 73 4.545 11.246 5.592 534 1HE2 GLN 73 21HE GLN 73 6.986 10.949 4.010 535 2HE2 GLN 73 22HE GLN 73 7.360 12.525 3.458 536 H ASN 74 H ASN 74 4.785 11.932 1.473 537 HA ASN 74 HA ASN 74 2.024 12.574 1.604 538 1HB ASN 74 1HB ASN 74 2.582 14.696 0.469 539 2HB ASN 74 2HB ASN 74 3.670 14.389 1.813 540 1HD2 ASN 74 21HD ASN 74 5.838 14.227 1.415 541 2HD2 ASN 74 22HD ASN 74 6.518 14.389 -0.158 542 H PHE 75 H PHE 75 4.090 11.292 -0.880 543 HA PHE 75 HA PHE 75 2.219 11.683 -2.985 544 1HB PHE 75 1HB PHE 75 4.672 11.204 -3.344 545 2HB PHE 75 2HB PHE 75 4.354 9.555 -2.820 546 HD1 PHE 75 HD1 PHE 75 4.252 11.862 -5.561 547 HD2 PHE 75 HD2 PHE 75 2.739 8.115 -4.211 548 HE1 PHE 75 HE1 PHE 75 3.613 11.276 -7.865 549 HE2 PHE 75 HE2 PHE 75 2.108 7.533 -6.482 550 HZ PHE 75 HZ PHE 75 2.547 9.109 -8.334 551 H ALA 76 H ALA 76 3.160 8.893 -1.026 552 HA ALA 76 HA ALA 76 1.300 7.092 -2.033 553 1HB ALA 76 1HB ALA 76 1.733 5.757 -0.068 554 2HB ALA 76 2HB ALA 76 2.464 7.149 0.740 555 3HB ALA 76 3HB ALA 76 3.228 6.453 -0.695 556 H ALA 77 H ALA 77 1.008 9.198 0.835 557 HA ALA 77 HA ALA 77 -1.505 8.306 1.655 558 1HB ALA 77 1HB ALA 77 -0.341 11.063 2.009 559 2HB ALA 77 2HB ALA 77 0.013 9.670 3.027 560 3HB ALA 77 3HB ALA 77 -1.619 10.330 2.983 561 H THR 78 H THR 78 -0.628 10.455 -0.898 562 HA THR 78 HA THR 78 -3.230 11.564 -1.287 563 HB THR 78 HB THR 78 -0.764 11.474 -3.023 564 HG1 THR 78 HG1 THR 78 -0.224 12.920 -1.631 565 1HG2 THR 78 21HG THR 78 -3.309 13.070 -3.434 566 2HG2 THR 78 22HG THR 78 -2.737 11.720 -4.417 567 3HG2 THR 78 23HG THR 78 -1.824 13.230 -4.387 568 H VAL 79 H VAL 79 -1.340 8.975 -2.797 569 HA VAL 79 HA VAL 79 -3.217 8.245 -4.768 570 HB VAL 79 HB VAL 79 -1.318 6.317 -3.383 571 1HG1 VAL 79 11HG VAL 79 -3.005 5.263 -4.769 572 2HG1 VAL 79 12HG VAL 79 -1.402 5.075 -5.457 573 3HG1 VAL 79 13HG VAL 79 -2.519 6.253 -6.141 574 1HG2 VAL 79 21HG VAL 79 -0.059 8.236 -4.109 575 2HG2 VAL 79 22HG VAL 79 -0.833 8.181 -5.686 576 3HG2 VAL 79 23HG VAL 79 0.261 6.877 -5.190 577 H LEU 80 H LEU 80 -2.635 6.892 -1.535 578 HA LEU 80 HA LEU 80 -4.792 5.069 -1.627 579 1HB LEU 80 1HB LEU 80 -3.159 6.135 0.666 580 2HB LEU 80 2HB LEU 80 -4.468 5.008 0.921 581 HG LEU 80 HG LEU 80 -2.476 3.746 0.966 582 1HD1 LEU 80 11HD LEU 80 -3.568 3.330 -1.784 583 2HD1 LEU 80 12HD LEU 80 -4.342 2.805 -0.303 584 3HD1 LEU 80 13HD LEU 80 -2.757 2.152 -0.739 585 1HD2 LEU 80 21HD LEU 80 -0.964 5.324 -0.129 586 2HD2 LEU 80 22HD LEU 80 -1.691 4.929 -1.688 587 3HD2 LEU 80 23HD LEU 80 -0.804 3.698 -0.788 588 H ARG 81 H ARG 81 -4.903 8.341 -1.404 589 HA ARG 81 HA ARG 81 -7.362 8.549 0.190 590 1HB ARG 81 1HB ARG 81 -5.586 10.282 0.367 591 2HB ARG 81 2HB ARG 81 -5.777 10.620 -1.343 592 1HG ARG 81 1HG ARG 81 -8.236 11.131 -0.713 593 2HG ARG 81 2HG ARG 81 -7.604 11.261 0.925 594 1HD ARG 81 1HD ARG 81 -5.929 12.900 0.132 595 2HD ARG 81 2HD ARG 81 -6.637 12.792 -1.475 596 HE ARG 81 HE ARG 81 -8.389 13.573 0.728 597 1HH1 ARG 81 11HH ARG 81 -6.614 14.615 -2.163 598 2HH1 ARG 81 12HH ARG 81 -7.428 16.092 -2.294 599 1HH2 ARG 81 21HH ARG 81 -9.479 15.642 0.540 600 2HH2 ARG 81 22HH ARG 81 -9.056 16.711 -0.710 601 H ASN 82 H ASN 82 -6.087 8.801 -3.039 602 HA ASN 82 HA ASN 82 -8.518 9.810 -4.193 603 1HB ASN 82 1HB ASN 82 -5.728 9.545 -5.055 604 2HB ASN 82 2HB ASN 82 -6.959 9.664 -6.300 605 1HD2 ASN 82 21HD ASN 82 -5.385 11.238 -3.660 606 2HD2 ASN 82 22HD ASN 82 -6.033 12.817 -3.994 607 H THR 83 H THR 83 -7.682 6.856 -3.427 608 HA THR 83 HA THR 83 -8.057 5.353 -5.785 609 HB THR 83 HB THR 83 -8.438 3.571 -3.893 610 HG1 THR 83 HG1 THR 83 -8.644 4.782 -2.102 611 1HG2 THR 83 21HG THR 83 -5.996 3.406 -3.636 612 2HG2 THR 83 22HG THR 83 -5.818 5.040 -4.268 613 3HG2 THR 83 23HG THR 83 -6.421 3.754 -5.311 614 H LYS 84 H LYS 84 -9.820 3.975 -6.246 615 HA LYS 84 HA LYS 84 -12.363 4.776 -5.077 616 1HB LYS 84 1HB LYS 84 -13.364 3.918 -7.323 617 2HB LYS 84 2HB LYS 84 -12.560 5.470 -7.310 618 1HG LYS 84 1HG LYS 84 -11.916 4.360 -9.309 619 2HG LYS 84 2HG LYS 84 -10.529 4.323 -8.227 620 1HD LYS 84 1HD LYS 84 -11.097 2.000 -7.620 621 2HD LYS 84 2HD LYS 84 -12.458 2.062 -8.736 622 1HE LYS 84 1HE LYS 84 -9.553 2.387 -9.493 623 2HE LYS 84 2HE LYS 84 -10.502 0.926 -9.710 624 1HZ LYS 84 1HZ LYS 84 -10.992 3.536 -11.078 625 2HZ LYS 84 2HZ LYS 84 -11.942 2.144 -11.240 626 3HZ LYS 84 3HZ LYS 84 -10.351 2.121 -11.745 627 H GLY 85 H GLY 85 -13.989 2.667 -5.972 628 1HA GLY 85 1HA GLY 85 -13.777 0.858 -3.930 629 2HA GLY 85 2HA GLY 85 -14.657 0.569 -5.413 630 H ASN 86 H ASN 86 -13.008 -0.058 -7.284 631 HA ASN 86 HA ASN 86 -11.680 -2.424 -6.274 632 1HB ASN 86 1HB ASN 86 -11.962 -1.430 -9.106 633 2HB ASN 86 2HB ASN 86 -11.157 -2.936 -8.666 634 1HD2 ASN 86 21HD ASN 86 -12.451 -4.652 -7.831 635 2HD2 ASN 86 22HD ASN 86 -14.150 -4.691 -8.136 636 H VAL 87 H VAL 87 -9.840 -2.191 -5.370 637 HA VAL 87 HA VAL 87 -7.883 -0.317 -6.551 638 HB VAL 87 HB VAL 87 -7.533 -1.436 -3.848 639 1HG1 VAL 87 11HG VAL 87 -6.807 1.193 -5.091 640 2HG1 VAL 87 12HG VAL 87 -5.751 -0.191 -4.796 641 3HG1 VAL 87 13HG VAL 87 -6.435 0.700 -3.435 642 1HG2 VAL 87 21HG VAL 87 -9.342 0.887 -4.441 643 2HG2 VAL 87 22HG VAL 87 -8.799 0.351 -2.831 644 3HG2 VAL 87 23HG VAL 87 -9.799 -0.708 -3.833 645 H ARG 88 H ARG 88 -6.157 -1.272 -7.430 646 HA ARG 88 HA ARG 88 -5.492 -3.983 -6.560 647 1HB ARG 88 1HB ARG 88 -4.386 -2.346 -8.816 648 2HB ARG 88 2HB ARG 88 -3.634 -3.834 -8.268 649 1HG ARG 88 1HG ARG 88 -4.886 -4.603 -9.955 650 2HG ARG 88 2HG ARG 88 -5.975 -4.830 -8.620 651 1HD ARG 88 1HD ARG 88 -7.168 -3.818 -10.518 652 2HD ARG 88 2HD ARG 88 -7.166 -2.776 -9.096 653 HE ARG 88 HE ARG 88 -5.003 -1.973 -10.540 654 1HH1 ARG 88 11HH ARG 88 -8.444 -2.297 -11.289 655 2HH1 ARG 88 12HH ARG 88 -8.472 -0.985 -12.365 656 1HH2 ARG 88 21HH ARG 88 -5.077 -0.083 -11.976 657 2HH2 ARG 88 22HH ARG 88 -6.544 0.282 -12.750 658 H PHE 89 H PHE 89 -4.561 -3.951 -4.723 659 HA PHE 89 HA PHE 89 -2.380 -2.078 -4.225 660 1HB PHE 89 1HB PHE 89 -3.527 -4.246 -2.437 661 2HB PHE 89 2HB PHE 89 -2.288 -3.086 -2.010 662 HD1 PHE 89 HD1 PHE 89 -2.854 -0.792 -1.542 663 HD2 PHE 89 HD2 PHE 89 -5.832 -3.649 -2.505 664 HE1 PHE 89 HE1 PHE 89 -4.575 0.725 -0.657 665 HE2 PHE 89 HE2 PHE 89 -7.564 -2.132 -1.628 666 HZ PHE 89 HZ PHE 89 -6.924 0.055 -0.691 667 H VAL 90 H VAL 90 -0.675 -2.810 -5.390 668 HA VAL 90 HA VAL 90 -0.174 -5.669 -5.290 669 HB VAL 90 HB VAL 90 1.424 -3.604 -6.822 670 1HG1 VAL 90 11HG VAL 90 1.326 -6.601 -7.080 671 2HG1 VAL 90 12HG VAL 90 2.644 -5.649 -6.401 672 3HG1 VAL 90 13HG VAL 90 2.255 -5.517 -8.117 673 1HG2 VAL 90 21HG VAL 90 -0.809 -5.348 -7.859 674 2HG2 VAL 90 22HG VAL 90 0.219 -4.305 -8.847 675 3HG2 VAL 90 23HG VAL 90 -0.869 -3.597 -7.652 676 H ILE 91 H ILE 91 0.237 -5.651 -3.232 677 HA ILE 91 HA ILE 91 2.434 -4.172 -2.072 678 HB ILE 91 HB ILE 91 0.131 -5.827 -1.112 679 1HG1 ILE 91 11HG ILE 91 0.920 -3.002 -0.609 680 2HG1 ILE 91 12HG ILE 91 -0.299 -3.517 -1.768 681 1HG2 ILE 91 21HG ILE 91 1.924 -6.463 0.371 682 2HG2 ILE 91 22HG ILE 91 0.748 -5.451 1.206 683 3HG2 ILE 91 23HG ILE 91 2.290 -4.765 0.689 684 1HD1 ILE 91 11HD ILE 91 -1.300 -2.695 0.199 685 2HD1 ILE 91 12HD ILE 91 -0.344 -3.828 1.183 686 3HD1 ILE 91 13HD ILE 91 -1.570 -4.443 0.034 687 H GLY 92 H GLY 92 3.985 -5.385 -0.841 688 1HA GLY 92 1HA GLY 92 4.096 -8.162 -1.612 689 2HA GLY 92 2HA GLY 92 5.543 -7.184 -1.802 690 H ARG 93 H ARG 93 5.087 -9.462 -0.143 691 HA ARG 93 HA ARG 93 5.551 -8.238 2.481 692 1HB ARG 93 1HB ARG 93 3.562 -9.604 2.565 693 2HB ARG 93 2HB ARG 93 4.391 -10.935 1.778 694 1HG ARG 93 1HG ARG 93 4.117 -11.395 4.132 695 2HG ARG 93 2HG ARG 93 5.825 -11.204 3.747 696 1HD ARG 93 1HD ARG 93 5.632 -8.831 4.571 697 2HD ARG 93 2HD ARG 93 4.008 -9.238 5.137 698 HE ARG 93 HE ARG 93 5.853 -11.134 6.073 699 1HH1 ARG 93 11HH ARG 93 4.753 -7.836 6.766 700 2HH1 ARG 93 12HH ARG 93 5.374 -7.851 8.352 701 1HH2 ARG 93 21HH ARG 93 6.725 -11.091 8.201 702 2HH2 ARG 93 22HH ARG 93 6.533 -9.707 9.179 703 H GLU 94 H GLU 94 7.631 -8.278 3.039 704 HA GLU 94 HA GLU 94 9.180 -10.545 2.195 705 1HB GLU 94 1HB GLU 94 11.182 -9.147 2.605 706 2HB GLU 94 2HB GLU 94 10.095 -8.477 1.400 707 1HG GLU 94 1HG GLU 94 9.307 -6.826 2.950 708 2HG GLU 94 2HG GLU 94 10.270 -7.542 4.246 Start of MODEL 17 1 1H GLY 1 1H GLY 1 16.074 -12.977 2.120 2 2H GLY 1 2H GLY 1 15.911 -12.746 3.788 3 3H GLY 1 3H GLY 1 16.065 -11.408 2.752 4 1HA GLY 1 1HA GLY 1 13.808 -13.309 2.817 5 2HA GLY 1 2HA GLY 1 13.789 -11.660 3.424 6 H HIS 2 H HIS 2 13.424 -13.677 0.723 7 HA HIS 2 HA HIS 2 13.640 -11.583 -1.224 8 1HB HIS 2 1HB HIS 2 12.558 -14.413 -1.446 9 2HB HIS 2 2HB HIS 2 12.728 -13.303 -2.794 10 HD1 HIS 2 HD1 HIS 2 14.833 -15.325 -0.372 11 HD2 HIS 2 HD2 HIS 2 15.226 -13.146 -3.890 12 HE1 HIS 2 HE1 HIS 2 17.140 -15.817 -1.243 13 H MET 3 H MET 3 12.122 -10.117 -1.393 14 HA MET 3 HA MET 3 9.580 -10.522 -0.127 15 1HB MET 3 1HB MET 3 10.684 -8.318 0.001 16 2HB MET 3 2HB MET 3 10.544 -8.153 -1.741 17 1HG MET 3 1HG MET 3 8.155 -8.114 -1.615 18 2HG MET 3 2HG MET 3 8.189 -8.442 0.112 19 1HE MET 3 1HE MET 3 10.587 -6.518 1.078 20 2HE MET 3 2HE MET 3 9.051 -6.706 1.922 21 3HE MET 3 3HE MET 3 9.654 -5.094 1.538 22 H GLU 4 H GLU 4 8.033 -11.564 -0.984 23 HA GLU 4 HA GLU 4 7.798 -11.953 -3.823 24 1HB GLU 4 1HB GLU 4 7.327 -13.782 -2.264 25 2HB GLU 4 2HB GLU 4 6.112 -12.765 -1.485 26 1HG GLU 4 1HG GLU 4 4.737 -12.807 -3.458 27 2HG GLU 4 2HG GLU 4 5.966 -13.720 -4.325 28 H LEU 5 H LEU 5 6.950 -10.308 -4.948 29 HA LEU 5 HA LEU 5 5.048 -8.525 -3.711 30 1HB LEU 5 1HB LEU 5 6.077 -8.556 -6.550 31 2HB LEU 5 2HB LEU 5 5.106 -7.298 -5.826 32 HG LEU 5 HG LEU 5 7.208 -6.398 -5.861 33 1HD1 LEU 5 11HD LEU 5 7.976 -6.179 -3.597 34 2HD1 LEU 5 12HD LEU 5 7.040 -7.611 -3.175 35 3HD1 LEU 5 13HD LEU 5 6.204 -6.145 -3.702 36 1HD2 LEU 5 21HD LEU 5 9.283 -7.504 -5.204 37 2HD2 LEU 5 22HD LEU 5 8.473 -8.378 -6.510 38 3HD2 LEU 5 23HD LEU 5 8.383 -8.978 -4.853 39 H PHE 6 H PHE 6 2.900 -8.644 -3.949 40 HA PHE 6 HA PHE 6 1.897 -10.224 -6.126 41 1HB PHE 6 1HB PHE 6 0.199 -11.137 -4.490 42 2HB PHE 6 2HB PHE 6 1.767 -11.928 -4.525 43 HD1 PHE 6 HD1 PHE 6 -0.635 -9.894 -2.765 44 HD2 PHE 6 HD2 PHE 6 3.196 -11.655 -2.528 45 HE1 PHE 6 HE1 PHE 6 -0.613 -9.497 -0.313 46 HE2 PHE 6 HE2 PHE 6 3.255 -11.283 -0.116 47 HZ PHE 6 HZ PHE 6 1.345 -10.192 1.009 48 HA PRO 7 HA PRO 7 -1.027 -6.927 -6.250 49 1HB PRO 7 1HB PRO 7 -2.606 -7.870 -8.088 50 2HB PRO 7 2HB PRO 7 -0.972 -7.322 -8.466 51 1HG PRO 7 1HG PRO 7 -1.963 -10.159 -8.113 52 2HG PRO 7 2HG PRO 7 -0.812 -9.542 -9.331 53 1HD PRO 7 1HD PRO 7 -0.182 -10.832 -6.962 54 2HD PRO 7 2HD PRO 7 0.910 -9.743 -7.857 55 H VAL 8 H VAL 8 -2.485 -6.664 -4.743 56 HA VAL 8 HA VAL 8 -4.495 -8.737 -4.363 57 HB VAL 8 HB VAL 8 -3.827 -6.459 -2.484 58 1HG1 VAL 8 11HG VAL 8 -5.588 -8.867 -2.057 59 2HG1 VAL 8 12HG VAL 8 -6.122 -7.197 -2.255 60 3HG1 VAL 8 13HG VAL 8 -5.181 -7.659 -0.837 61 1HG2 VAL 8 21HG VAL 8 -2.004 -7.986 -2.626 62 2HG2 VAL 8 22HG VAL 8 -3.089 -9.353 -2.296 63 3HG2 VAL 8 23HG VAL 8 -2.798 -8.130 -1.048 64 H GLU 9 H GLU 9 -6.128 -8.222 -5.707 65 HA GLU 9 HA GLU 9 -6.884 -5.454 -5.934 66 1HB GLU 9 1HB GLU 9 -7.027 -6.942 -7.925 67 2HB GLU 9 2HB GLU 9 -8.257 -7.884 -7.088 68 1HG GLU 9 1HG GLU 9 -9.706 -5.916 -6.994 69 2HG GLU 9 2HG GLU 9 -8.458 -4.984 -7.826 70 H LEU 10 H LEU 10 -7.852 -4.664 -4.297 71 HA LEU 10 HA LEU 10 -9.470 -6.375 -2.578 72 1HB LEU 10 1HB LEU 10 -7.585 -4.765 -1.844 73 2HB LEU 10 2HB LEU 10 -8.741 -3.512 -2.255 74 HG LEU 10 HG LEU 10 -10.294 -4.526 -0.580 75 1HD1 LEU 10 11HD LEU 10 -9.332 -5.957 1.128 76 2HD1 LEU 10 12HD LEU 10 -7.835 -6.055 0.197 77 3HD1 LEU 10 13HD LEU 10 -9.324 -6.732 -0.455 78 1HD2 LEU 10 21HD LEU 10 -7.662 -3.516 0.448 79 2HD2 LEU 10 22HD LEU 10 -9.235 -3.459 1.279 80 3HD2 LEU 10 23HD LEU 10 -8.981 -2.544 -0.199 81 H GLU 11 H GLU 11 -11.637 -5.680 -2.170 82 HA GLU 11 HA GLU 11 -12.608 -3.734 -4.122 83 1HB GLU 11 1HB GLU 11 -13.477 -6.014 -4.540 84 2HB GLU 11 2HB GLU 11 -14.132 -6.048 -2.908 85 1HG GLU 11 1HG GLU 11 -15.514 -4.056 -3.500 86 2HG GLU 11 2HG GLU 11 -14.956 -4.231 -5.160 87 H LYS 12 H LYS 12 -12.379 -2.015 -2.833 88 HA LYS 12 HA LYS 12 -13.516 -2.100 -0.236 89 1HB LYS 12 1HB LYS 12 -11.898 -0.119 -1.690 90 2HB LYS 12 2HB LYS 12 -12.851 0.487 -0.355 91 1HG LYS 12 1HG LYS 12 -10.844 -1.755 -0.273 92 2HG LYS 12 2HG LYS 12 -10.534 -0.115 0.344 93 1HD LYS 12 1HD LYS 12 -12.908 -1.404 1.459 94 2HD LYS 12 2HD LYS 12 -11.442 -2.334 1.776 95 1HE LYS 12 1HE LYS 12 -11.900 -0.924 3.646 96 2HE LYS 12 2HE LYS 12 -10.519 -0.227 2.852 97 1HZ LYS 12 1HZ LYS 12 -12.079 1.370 1.743 98 2HZ LYS 12 2HZ LYS 12 -12.098 1.517 3.402 99 3HZ LYS 12 3HZ LYS 12 -13.341 0.706 2.619 100 H ASP 13 H ASP 13 -14.589 0.026 0.377 101 HA ASP 13 HA ASP 13 -17.153 0.079 -0.902 102 1HB ASP 13 1HB ASP 13 -17.583 1.527 1.175 103 2HB ASP 13 2HB ASP 13 -17.264 -0.183 1.429 104 H GLU 14 H GLU 14 -18.135 2.321 -0.801 105 HA GLU 14 HA GLU 14 -16.835 3.811 -2.813 106 1HB GLU 14 1HB GLU 14 -18.678 5.424 -2.609 107 2HB GLU 14 2HB GLU 14 -19.200 3.755 -2.763 108 1HG GLU 14 1HG GLU 14 -19.771 3.640 -0.449 109 2HG GLU 14 2HG GLU 14 -19.033 5.212 -0.139 110 H ASP 15 H ASP 15 -16.538 4.058 0.559 111 HA ASP 15 HA ASP 15 -15.843 6.810 0.789 112 1HB ASP 15 1HB ASP 15 -16.489 5.550 2.728 113 2HB ASP 15 2HB ASP 15 -15.189 4.411 2.479 114 H GLY 16 H GLY 16 -14.152 3.914 0.042 115 1HA GLY 16 1HA GLY 16 -12.243 4.226 -1.505 116 2HA GLY 16 2HA GLY 16 -11.700 5.495 -0.404 117 H LEU 17 H LEU 17 -10.067 4.809 0.799 118 HA LEU 17 HA LEU 17 -10.139 1.969 1.583 119 1HB LEU 17 1HB LEU 17 -7.801 3.806 1.920 120 2HB LEU 17 2HB LEU 17 -7.838 2.064 2.092 121 HG LEU 17 HG LEU 17 -8.052 3.701 -0.313 122 1HD1 LEU 17 11HD LEU 17 -6.050 1.656 0.599 123 2HD1 LEU 17 12HD LEU 17 -5.817 3.402 0.460 124 3HD1 LEU 17 13HD LEU 17 -6.023 2.419 -0.990 125 1HD2 LEU 17 21HD LEU 17 -8.407 0.714 -0.118 126 2HD2 LEU 17 22HD LEU 17 -8.166 1.610 -1.624 127 3HD2 LEU 17 23HD LEU 17 -9.604 1.901 -0.650 128 H GLY 18 H GLY 18 -9.415 5.180 2.783 129 1HA GLY 18 1HA GLY 18 -9.613 6.062 4.843 130 2HA GLY 18 2HA GLY 18 -10.661 4.702 5.262 131 H ILE 19 H ILE 19 -7.477 4.128 4.015 132 HA ILE 19 HA ILE 19 -6.750 3.119 6.675 133 HB ILE 19 HB ILE 19 -5.097 1.689 5.632 134 1HG1 ILE 19 11HG ILE 19 -5.848 2.953 2.985 135 2HG1 ILE 19 12HG ILE 19 -4.375 3.303 3.882 136 1HG2 ILE 19 21HG ILE 19 -7.682 1.631 4.082 137 2HG2 ILE 19 22HG ILE 19 -7.381 0.850 5.625 138 3HG2 ILE 19 23HG ILE 19 -6.529 0.301 4.176 139 1HD1 ILE 19 11HD ILE 19 -3.942 1.736 2.065 140 2HD1 ILE 19 12HD ILE 19 -5.137 0.624 2.730 141 3HD1 ILE 19 13HD ILE 19 -3.662 0.975 3.631 142 H SER 20 H SER 20 -4.146 3.192 6.863 143 HA SER 20 HA SER 20 -3.292 5.934 6.218 144 1HB SER 20 1HB SER 20 -3.088 4.551 8.901 145 2HB SER 20 2HB SER 20 -2.543 6.182 8.539 146 HG SER 20 HG SER 20 -4.605 6.833 8.280 147 H ILE 21 H ILE 21 -1.096 6.189 6.061 148 HA ILE 21 HA ILE 21 0.474 3.708 5.909 149 HB ILE 21 HB ILE 21 1.764 4.791 4.102 150 1HG1 ILE 21 11HG ILE 21 0.268 6.684 2.905 151 2HG1 ILE 21 12HG ILE 21 -0.201 6.976 4.548 152 1HG2 ILE 21 21HG ILE 21 0.114 4.465 2.309 153 2HG2 ILE 21 22HG ILE 21 -1.168 4.446 3.520 154 3HG2 ILE 21 23HG ILE 21 0.067 3.184 3.522 155 1HD1 ILE 21 11HD ILE 21 2.650 7.092 3.533 156 2HD1 ILE 21 12HD ILE 21 2.139 7.393 5.183 157 3HD1 ILE 21 13HD ILE 21 1.636 8.471 3.900 158 H ILE 22 H ILE 22 2.833 4.170 6.108 159 HA ILE 22 HA ILE 22 3.239 6.556 7.642 160 HB ILE 22 HB ILE 22 2.979 4.858 9.299 161 1HG1 ILE 22 11HG ILE 22 5.921 5.522 9.059 162 2HG1 ILE 22 12HG ILE 22 4.686 6.545 9.782 163 1HG2 ILE 22 21HG ILE 22 5.146 3.317 7.924 164 2HG2 ILE 22 22HG ILE 22 3.430 2.896 8.002 165 3HG2 ILE 22 23HG ILE 22 4.411 2.883 9.471 166 1HD1 ILE 22 11HD ILE 22 4.303 4.835 11.496 167 2HD1 ILE 22 12HD ILE 22 5.951 5.448 11.480 168 3HD1 ILE 22 13HD ILE 22 5.598 3.864 10.786 169 H GLY 23 H GLY 23 5.105 7.634 7.245 170 1HA GLY 23 1HA GLY 23 6.613 6.702 4.965 171 2HA GLY 23 2HA GLY 23 6.658 8.322 5.645 172 H MET 24 H MET 24 8.100 5.281 5.503 173 HA MET 24 HA MET 24 10.090 6.073 7.541 174 1HB MET 24 1HB MET 24 9.375 3.292 6.556 175 2HB MET 24 2HB MET 24 10.622 3.664 7.731 176 1HG MET 24 1HG MET 24 7.666 4.127 8.106 177 2HG MET 24 2HG MET 24 8.578 2.765 8.749 178 1HE MET 24 1HE MET 24 11.296 4.090 9.701 179 2HE MET 24 2HE MET 24 10.371 2.953 10.679 180 3HE MET 24 3HE MET 24 10.908 4.480 11.375 181 H GLY 25 H GLY 25 12.252 5.017 6.939 182 1HA GLY 25 1HA GLY 25 12.556 5.285 4.039 183 2HA GLY 25 2HA GLY 25 13.721 5.985 5.134 184 H VAL 26 H VAL 26 12.464 3.043 3.775 185 HA VAL 26 HA VAL 26 14.874 1.641 4.658 186 HB VAL 26 HB VAL 26 12.781 0.832 5.769 187 1HG1 VAL 26 11HG VAL 26 11.945 0.099 2.991 188 2HG1 VAL 26 12HG VAL 26 11.167 1.222 4.118 189 3HG1 VAL 26 13HG VAL 26 11.174 -0.509 4.463 190 1HG2 VAL 26 21HG VAL 26 14.079 -1.170 3.928 191 2HG2 VAL 26 22HG VAL 26 13.141 -1.575 5.370 192 3HG2 VAL 26 23HG VAL 26 14.663 -0.687 5.518 193 H GLY 27 H GLY 27 15.702 0.124 3.060 194 1HA GLY 27 1HA GLY 27 15.247 -0.897 0.864 195 2HA GLY 27 2HA GLY 27 14.643 0.680 0.373 196 H ALA 28 H ALA 28 16.634 2.216 1.684 197 HA ALA 28 HA ALA 28 18.671 2.035 -0.339 198 1HB ALA 28 1HB ALA 28 18.511 3.862 2.078 199 2HB ALA 28 2HB ALA 28 17.891 4.236 0.473 200 3HB ALA 28 3HB ALA 28 19.623 4.034 0.721 201 H ASP 29 H ASP 29 18.240 1.202 2.974 202 HA ASP 29 HA ASP 29 20.902 0.496 3.619 203 1HB ASP 29 1HB ASP 29 19.906 -0.669 5.518 204 2HB ASP 29 2HB ASP 29 19.068 0.858 5.300 205 H ALA 30 H ALA 30 18.161 -1.150 2.292 206 HA ALA 30 HA ALA 30 19.239 -3.752 2.076 207 1HB ALA 30 1HB ALA 30 16.836 -3.266 2.091 208 2HB ALA 30 2HB ALA 30 17.306 -4.225 0.689 209 3HB ALA 30 3HB ALA 30 16.991 -2.501 0.511 210 H GLY 31 H GLY 31 19.518 -0.934 0.091 211 1HA GLY 31 1HA GLY 31 21.092 -0.623 -1.615 212 2HA GLY 31 2HA GLY 31 21.289 -2.368 -1.709 213 H LEU 32 H LEU 32 18.079 -1.641 -1.660 214 HA LEU 32 HA LEU 32 17.890 -1.954 -4.582 215 1HB LEU 32 1HB LEU 32 15.889 -2.528 -2.396 216 2HB LEU 32 2HB LEU 32 15.433 -2.461 -4.077 217 HG LEU 32 HG LEU 32 16.995 -4.371 -4.512 218 1HD1 LEU 32 11HD LEU 32 17.739 -5.739 -2.647 219 2HD1 LEU 32 12HD LEU 32 17.152 -4.522 -1.516 220 3HD1 LEU 32 13HD LEU 32 18.481 -4.138 -2.611 221 1HD2 LEU 32 21HD LEU 32 15.514 -6.063 -3.529 222 2HD2 LEU 32 22HD LEU 32 14.633 -4.743 -4.288 223 3HD2 LEU 32 23HD LEU 32 14.775 -4.808 -2.531 224 H GLU 33 H GLU 33 17.189 0.137 -1.977 225 HA GLU 33 HA GLU 33 16.173 2.077 -1.682 226 1HB GLU 33 1HB GLU 33 17.057 2.554 -4.530 227 2HB GLU 33 2HB GLU 33 16.409 3.804 -3.483 228 1HG GLU 33 1HG GLU 33 18.262 3.410 -1.917 229 2HG GLU 33 2HG GLU 33 18.933 2.230 -3.048 230 H LYS 34 H LYS 34 14.142 1.520 -1.257 231 HA LYS 34 HA LYS 34 12.315 1.945 -3.452 232 1HB LYS 34 1HB LYS 34 10.856 0.177 -2.631 233 2HB LYS 34 2HB LYS 34 12.423 -0.492 -3.046 234 1HG LYS 34 1HG LYS 34 13.020 -0.566 -0.666 235 2HG LYS 34 2HG LYS 34 11.455 0.126 -0.252 236 1HD LYS 34 1HD LYS 34 11.851 -2.502 -1.690 237 2HD LYS 34 2HD LYS 34 11.537 -2.347 0.037 238 1HE LYS 34 1HE LYS 34 9.362 -1.336 -0.432 239 2HE LYS 34 2HE LYS 34 9.681 -1.388 -2.160 240 1HZ LYS 34 1HZ LYS 34 9.404 -3.770 -0.388 241 2HZ LYS 34 2HZ LYS 34 9.744 -3.796 -2.032 242 3HZ LYS 34 3HZ LYS 34 8.271 -3.217 -1.508 243 H LEU 35 H LEU 35 10.074 1.876 -2.130 244 HA LEU 35 HA LEU 35 10.017 4.292 -0.636 245 1HB LEU 35 1HB LEU 35 7.645 3.740 -0.473 246 2HB LEU 35 2HB LEU 35 8.231 3.594 -2.119 247 HG LEU 35 HG LEU 35 8.581 1.073 -1.113 248 1HD1 LEU 35 11HD LEU 35 5.998 2.060 -0.026 249 2HD1 LEU 35 12HD LEU 35 7.417 1.497 0.873 250 3HD1 LEU 35 13HD LEU 35 6.507 0.374 -0.138 251 1HD2 LEU 35 21HD LEU 35 7.838 1.417 -3.264 252 2HD2 LEU 35 22HD LEU 35 6.341 2.205 -2.741 253 3HD2 LEU 35 23HD LEU 35 6.598 0.474 -2.457 254 H GLY 36 H GLY 36 9.676 4.480 1.617 255 1HA GLY 36 1HA GLY 36 9.759 1.967 3.083 256 2HA GLY 36 2HA GLY 36 10.288 3.531 3.737 257 H ILE 37 H ILE 37 7.483 3.130 1.801 258 HA ILE 37 HA ILE 37 5.875 4.200 3.922 259 HB ILE 37 HB ILE 37 5.014 3.363 1.148 260 1HG1 ILE 37 11HG ILE 37 6.798 5.099 1.161 261 2HG1 ILE 37 12HG ILE 37 5.280 5.697 0.467 262 1HG2 ILE 37 21HG ILE 37 3.186 3.512 2.728 263 2HG2 ILE 37 22HG ILE 37 3.099 4.846 1.575 264 3HG2 ILE 37 23HG ILE 37 3.711 5.123 3.208 265 1HD1 ILE 37 11HD ILE 37 4.879 6.739 2.724 266 2HD1 ILE 37 12HD ILE 37 6.225 7.387 1.801 267 3HD1 ILE 37 13HD ILE 37 6.535 6.254 3.127 268 H PHE 38 H PHE 38 5.425 2.793 5.389 269 HA PHE 38 HA PHE 38 4.478 0.111 4.660 270 1HB PHE 38 1HB PHE 38 5.196 1.358 7.303 271 2HB PHE 38 2HB PHE 38 4.502 -0.247 7.159 272 HD1 PHE 38 HD1 PHE 38 7.496 1.775 6.761 273 HD2 PHE 38 HD2 PHE 38 5.799 -2.081 6.207 274 HE1 PHE 38 HE1 PHE 38 9.752 0.823 6.511 275 HE2 PHE 38 HE2 PHE 38 8.048 -3.044 5.950 276 HZ PHE 38 HZ PHE 38 10.028 -1.592 6.102 277 H VAL 39 H VAL 39 2.565 -0.640 5.945 278 HA VAL 39 HA VAL 39 0.518 1.374 5.764 279 HB VAL 39 HB VAL 39 0.255 -1.504 6.718 280 1HG1 VAL 39 11HG VAL 39 -1.592 -0.079 7.385 281 2HG1 VAL 39 12HG VAL 39 -2.114 -1.217 6.139 282 3HG1 VAL 39 13HG VAL 39 -1.795 0.467 5.722 283 1HG2 VAL 39 21HG VAL 39 -0.179 -0.384 3.950 284 2HG2 VAL 39 22HG VAL 39 -0.550 -2.030 4.461 285 3HG2 VAL 39 23HG VAL 39 1.123 -1.469 4.438 286 H LYS 40 H LYS 40 -0.268 2.434 7.434 287 HA LYS 40 HA LYS 40 1.060 2.106 10.013 288 1HB LYS 40 1HB LYS 40 1.114 4.322 9.058 289 2HB LYS 40 2HB LYS 40 -0.617 4.309 8.832 290 1HG LYS 40 1HG LYS 40 0.037 5.720 10.681 291 2HG LYS 40 2HG LYS 40 -0.964 4.373 11.216 292 1HD LYS 40 1HD LYS 40 1.057 3.193 11.956 293 2HD LYS 40 2HD LYS 40 2.039 4.572 11.444 294 1HE LYS 40 1HE LYS 40 0.846 6.006 12.924 295 2HE LYS 40 2HE LYS 40 -0.195 4.667 13.426 296 1HZ LYS 40 1HZ LYS 40 1.561 5.081 15.047 297 2HZ LYS 40 2HZ LYS 40 2.748 4.877 13.884 298 3HZ LYS 40 3HZ LYS 40 1.782 3.568 14.349 299 H THR 41 H THR 41 -2.173 2.370 8.605 300 HA THR 41 HA THR 41 -3.271 0.772 10.750 301 HB THR 41 HB THR 41 -4.705 3.217 9.986 302 HG1 THR 41 HG1 THR 41 -3.600 4.510 11.477 303 1HG2 THR 41 21HG THR 41 -5.881 1.612 11.329 304 2HG2 THR 41 22HG THR 41 -5.618 3.071 12.292 305 3HG2 THR 41 23HG THR 41 -4.602 1.649 12.552 306 H VAL 42 H VAL 42 -5.519 0.175 10.066 307 HA VAL 42 HA VAL 42 -6.128 0.656 7.309 308 HB VAL 42 HB VAL 42 -6.248 -2.121 8.579 309 1HG1 VAL 42 11HG VAL 42 -6.864 -2.873 6.353 310 2HG1 VAL 42 12HG VAL 42 -6.690 -1.213 5.767 311 3HG1 VAL 42 13HG VAL 42 -7.962 -1.598 6.918 312 1HG2 VAL 42 21HG VAL 42 -4.367 -1.132 6.448 313 2HG2 VAL 42 22HG VAL 42 -4.495 -2.799 7.017 314 3HG2 VAL 42 23HG VAL 42 -3.921 -1.533 8.106 315 H THR 43 H THR 43 -8.423 0.746 7.149 316 HA THR 43 HA THR 43 -9.631 1.141 9.678 317 HB THR 43 HB THR 43 -10.062 2.681 7.755 318 HG1 THR 43 HG1 THR 43 -11.828 3.109 8.769 319 1HG2 THR 43 21HG THR 43 -10.142 0.993 6.052 320 2HG2 THR 43 22HG THR 43 -11.619 1.980 6.013 321 3HG2 THR 43 23HG THR 43 -11.636 0.351 6.731 322 H GLU 44 H GLU 44 -11.450 -0.022 10.420 323 HA GLU 44 HA GLU 44 -11.857 -2.701 9.339 324 1HB GLU 44 1HB GLU 44 -11.555 -2.264 11.792 325 2HB GLU 44 2HB GLU 44 -13.072 -1.378 11.765 326 1HG GLU 44 1HG GLU 44 -13.537 -3.563 12.557 327 2HG GLU 44 2HG GLU 44 -14.161 -3.346 10.907 328 H GLY 45 H GLY 45 -13.088 0.380 9.438 329 1HA GLY 45 1HA GLY 45 -15.865 -0.153 8.799 330 2HA GLY 45 2HA GLY 45 -15.056 1.428 8.785 331 H GLY 46 H GLY 46 -13.781 -1.217 7.010 332 1HA GLY 46 1HA GLY 46 -15.117 -0.517 4.658 333 2HA GLY 46 2HA GLY 46 -13.407 -0.080 4.717 334 H ALA 47 H ALA 47 -14.454 -1.856 3.103 335 HA ALA 47 HA ALA 47 -14.327 -4.603 3.803 336 1HB ALA 47 1HB ALA 47 -13.915 -3.413 1.103 337 2HB ALA 47 2HB ALA 47 -15.493 -3.666 1.860 338 3HB ALA 47 3HB ALA 47 -14.462 -5.049 1.465 339 H ALA 48 H ALA 48 -11.874 -3.173 4.547 340 HA ALA 48 HA ALA 48 -9.807 -4.442 2.864 341 1HB ALA 48 1HB ALA 48 -9.473 -2.061 3.316 342 2HB ALA 48 2HB ALA 48 -8.194 -3.017 4.061 343 3HB ALA 48 3HB ALA 48 -9.507 -2.376 5.050 344 H GLN 49 H GLN 49 -10.275 -3.834 6.336 345 HA GLN 49 HA GLN 49 -8.878 -6.246 7.014 346 1HB GLN 49 1HB GLN 49 -10.488 -4.296 8.603 347 2HB GLN 49 2HB GLN 49 -9.719 -5.700 9.355 348 1HG GLN 49 1HG GLN 49 -7.544 -4.839 8.493 349 2HG GLN 49 2HG GLN 49 -8.407 -3.409 7.932 350 1HE2 GLN 49 21HE GLN 49 -10.155 -3.449 10.265 351 2HE2 GLN 49 22HE GLN 49 -9.230 -2.841 11.582 352 H ARG 50 H ARG 50 -12.119 -5.234 6.597 353 HA ARG 50 HA ARG 50 -13.482 -7.513 7.477 354 1HB ARG 50 1HB ARG 50 -14.007 -5.423 5.418 355 2HB ARG 50 2HB ARG 50 -15.180 -6.712 5.703 356 1HG ARG 50 1HG ARG 50 -14.171 -4.907 7.890 357 2HG ARG 50 2HG ARG 50 -15.549 -4.475 6.875 358 1HD ARG 50 1HD ARG 50 -15.329 -6.999 8.519 359 2HD ARG 50 2HD ARG 50 -16.234 -5.555 8.989 360 HE ARG 50 HE ARG 50 -17.374 -5.937 6.734 361 1HH1 ARG 50 11HH ARG 50 -16.443 -8.553 8.953 362 2HH1 ARG 50 12HH ARG 50 -17.618 -9.628 8.374 363 1HH2 ARG 50 21HH ARG 50 -18.965 -7.447 5.950 364 2HH2 ARG 50 22HH ARG 50 -19.075 -8.995 6.641 365 H ASP 51 H ASP 51 -11.762 -6.781 4.480 366 HA ASP 51 HA ASP 51 -12.491 -9.199 3.133 367 1HB ASP 51 1HB ASP 51 -11.560 -7.308 1.871 368 2HB ASP 51 2HB ASP 51 -10.056 -7.425 2.774 369 H GLY 52 H GLY 52 -9.394 -8.205 4.555 370 1HA GLY 52 1HA GLY 52 -8.420 -9.450 6.350 371 2HA GLY 52 2HA GLY 52 -9.211 -10.882 5.728 372 H ARG 53 H ARG 53 -8.118 -9.894 2.904 373 HA ARG 53 HA ARG 53 -5.752 -11.542 3.177 374 1HB ARG 53 1HB ARG 53 -7.476 -11.258 1.124 375 2HB ARG 53 2HB ARG 53 -6.316 -10.029 0.654 376 1HG ARG 53 1HG ARG 53 -5.573 -12.904 1.164 377 2HG ARG 53 2HG ARG 53 -5.988 -12.269 -0.419 378 1HD ARG 53 1HD ARG 53 -4.102 -10.760 -0.331 379 2HD ARG 53 2HD ARG 53 -3.744 -11.269 1.321 380 HE ARG 53 HE ARG 53 -3.706 -13.220 -0.856 381 1HH1 ARG 53 11HH ARG 53 -1.961 -11.416 1.682 382 2HH1 ARG 53 12HH ARG 53 -0.544 -12.329 1.530 383 1HH2 ARG 53 21HH ARG 53 -1.681 -14.486 -1.013 384 2HH2 ARG 53 22HH ARG 53 -0.362 -14.064 -0.039 385 H ILE 54 H ILE 54 -6.484 -8.212 3.136 386 HA ILE 54 HA ILE 54 -3.701 -7.485 2.697 387 HB ILE 54 HB ILE 54 -5.769 -6.267 1.626 388 1HG1 ILE 54 11HG ILE 54 -3.713 -4.553 3.031 389 2HG1 ILE 54 12HG ILE 54 -3.388 -5.475 1.566 390 1HG2 ILE 54 21HG ILE 54 -5.783 -5.098 4.398 391 2HG2 ILE 54 22HG ILE 54 -7.107 -5.955 3.602 392 3HG2 ILE 54 23HG ILE 54 -6.606 -4.363 3.018 393 1HD1 ILE 54 11HD ILE 54 -3.813 -3.252 0.903 394 2HD1 ILE 54 12HD ILE 54 -5.273 -3.162 1.908 395 3HD1 ILE 54 13HD ILE 54 -5.263 -4.174 0.478 396 H GLN 55 H GLN 55 -2.577 -6.208 4.374 397 HA GLN 55 HA GLN 55 -3.818 -6.463 6.978 398 1HB GLN 55 1HB GLN 55 -1.058 -7.415 6.265 399 2HB GLN 55 2HB GLN 55 -1.645 -7.272 7.908 400 1HG GLN 55 1HG GLN 55 -3.310 -8.981 7.488 401 2HG GLN 55 2HG GLN 55 -2.818 -9.076 5.799 402 1HE2 GLN 55 21HE GLN 55 0.028 -8.872 6.301 403 2HE2 GLN 55 22HE GLN 55 0.495 -10.348 7.063 404 H VAL 56 H VAL 56 -2.571 -5.302 8.659 405 HA VAL 56 HA VAL 56 -1.735 -2.675 7.730 406 HB VAL 56 HB VAL 56 -3.292 -3.101 9.702 407 1HG1 VAL 56 11HG VAL 56 -2.312 -3.591 11.889 408 2HG1 VAL 56 12HG VAL 56 -0.766 -3.921 11.109 409 3HG1 VAL 56 13HG VAL 56 -2.153 -4.941 10.765 410 1HG2 VAL 56 21HG VAL 56 -0.843 -1.411 10.200 411 2HG2 VAL 56 22HG VAL 56 -2.346 -1.305 11.114 412 3HG2 VAL 56 23HG VAL 56 -2.336 -0.896 9.410 413 H ASN 57 H ASN 57 -0.313 -5.598 8.395 414 HA ASN 57 HA ASN 57 2.133 -4.506 9.526 415 1HB ASN 57 1HB ASN 57 1.106 -6.553 10.490 416 2HB ASN 57 2HB ASN 57 1.372 -7.388 8.970 417 1HD2 ASN 57 21HD ASN 57 2.850 -6.108 11.823 418 2HD2 ASN 57 22HD ASN 57 4.372 -6.900 11.655 419 H ASP 58 H ASP 58 0.970 -4.677 6.564 420 HA ASP 58 HA ASP 58 3.409 -5.678 5.342 421 1HB ASP 58 1HB ASP 58 0.646 -5.331 4.207 422 2HB ASP 58 2HB ASP 58 2.065 -5.679 3.220 423 H GLN 59 H GLN 59 3.438 -4.496 2.941 424 HA GLN 59 HA GLN 59 3.818 -1.646 3.554 425 1HB GLN 59 1HB GLN 59 5.941 -2.959 3.683 426 2HB GLN 59 2HB GLN 59 5.676 -3.446 2.012 427 1HG GLN 59 1HG GLN 59 5.782 -1.116 1.325 428 2HG GLN 59 2HG GLN 59 6.069 -0.635 2.989 429 1HE2 GLN 59 21HE GLN 59 7.964 0.261 2.582 430 2HE2 GLN 59 22HE GLN 59 9.406 -0.585 2.158 431 H ILE 60 H ILE 60 3.039 -0.312 1.939 432 HA ILE 60 HA ILE 60 1.617 -1.484 -0.272 433 HB ILE 60 HB ILE 60 2.273 1.441 0.222 434 1HG1 ILE 60 11HG ILE 60 0.946 0.611 2.113 435 2HG1 ILE 60 12HG ILE 60 -0.016 1.658 1.068 436 1HG2 ILE 60 21HG ILE 60 1.649 0.888 -2.085 437 2HG2 ILE 60 22HG ILE 60 0.450 1.923 -1.305 438 3HG2 ILE 60 23HG ILE 60 0.143 0.195 -1.489 439 1HD1 ILE 60 11HD ILE 60 -1.090 -0.285 0.078 440 2HD1 ILE 60 12HD ILE 60 -1.308 -0.250 1.831 441 3HD1 ILE 60 13HD ILE 60 -0.125 -1.344 1.112 442 H VAL 61 H VAL 61 2.876 -2.274 -1.920 443 HA VAL 61 HA VAL 61 5.424 -0.998 -2.507 444 HB VAL 61 HB VAL 61 4.167 -3.527 -3.600 445 1HG1 VAL 61 11HG VAL 61 5.654 -2.589 -5.239 446 2HG1 VAL 61 12HG VAL 61 6.331 -4.052 -4.513 447 3HG1 VAL 61 13HG VAL 61 6.940 -2.461 -4.027 448 1HG2 VAL 61 21HG VAL 61 6.386 -3.126 -1.599 449 2HG2 VAL 61 22HG VAL 61 5.842 -4.682 -2.236 450 3HG2 VAL 61 23HG VAL 61 4.755 -3.700 -1.260 451 H GLU 62 H GLU 62 2.409 -1.682 -4.207 452 HA GLU 62 HA GLU 62 2.764 0.711 -5.761 453 1HB GLU 62 1HB GLU 62 4.023 -0.796 -7.152 454 2HB GLU 62 2HB GLU 62 2.752 -1.998 -7.124 455 1HG GLU 62 1HG GLU 62 1.280 -0.419 -8.307 456 2HG GLU 62 2HG GLU 62 2.629 0.711 -8.359 457 H VAL 63 H VAL 63 0.815 1.663 -5.741 458 HA VAL 63 HA VAL 63 -1.511 -0.083 -5.811 459 HB VAL 63 HB VAL 63 -1.035 2.502 -4.310 460 1HG1 VAL 63 11HG VAL 63 -3.741 1.474 -5.173 461 2HG1 VAL 63 12HG VAL 63 -2.956 2.951 -5.749 462 3HG1 VAL 63 13HG VAL 63 -3.425 2.808 -4.048 463 1HG2 VAL 63 21HG VAL 63 -2.507 -0.046 -3.713 464 2HG2 VAL 63 22HG VAL 63 -2.125 1.247 -2.575 465 3HG2 VAL 63 23HG VAL 63 -0.834 0.272 -3.292 466 H ASP 64 H ASP 64 -2.761 -0.044 -7.427 467 HA ASP 64 HA ASP 64 -3.994 0.510 -9.236 468 1HB ASP 64 1HB ASP 64 -4.450 2.638 -7.849 469 2HB ASP 64 2HB ASP 64 -3.246 3.427 -8.856 470 H GLY 65 H GLY 65 -0.943 0.408 -9.164 471 1HA GLY 65 1HA GLY 65 0.663 0.138 -10.808 472 2HA GLY 65 2HA GLY 65 -0.498 0.726 -11.997 473 H ILE 66 H ILE 66 -0.050 2.665 -9.176 474 HA ILE 66 HA ILE 66 1.038 4.803 -10.761 475 HB ILE 66 HB ILE 66 -0.648 4.890 -8.655 476 1HG1 ILE 66 11HG ILE 66 1.536 6.941 -9.063 477 2HG1 ILE 66 12HG ILE 66 0.127 6.759 -10.108 478 1HG2 ILE 66 21HG ILE 66 0.870 3.905 -7.044 479 2HG2 ILE 66 22HG ILE 66 0.518 5.585 -6.616 480 3HG2 ILE 66 23HG ILE 66 2.057 5.169 -7.373 481 1HD1 ILE 66 11HD ILE 66 -0.184 8.580 -8.547 482 2HD1 ILE 66 12HD ILE 66 0.123 7.467 -7.208 483 3HD1 ILE 66 13HD ILE 66 -1.315 7.259 -8.208 484 H SER 67 H SER 67 2.260 2.350 -8.878 485 HA SER 67 HA SER 67 4.210 1.844 -7.802 486 1HB SER 67 1HB SER 67 6.254 2.058 -9.249 487 2HB SER 67 2HB SER 67 4.882 1.333 -10.083 488 HG SER 67 HG SER 67 4.685 3.916 -10.459 489 H LEU 68 H LEU 68 3.996 3.064 -6.019 490 HA LEU 68 HA LEU 68 5.137 5.684 -6.062 491 1HB LEU 68 1HB LEU 68 4.122 5.979 -3.879 492 2HB LEU 68 2HB LEU 68 2.965 5.380 -5.024 493 HG LEU 68 HG LEU 68 2.354 4.309 -3.171 494 1HD1 LEU 68 11HD LEU 68 2.465 2.614 -4.681 495 2HD1 LEU 68 12HD LEU 68 2.895 2.010 -3.079 496 3HD1 LEU 68 13HD LEU 68 4.154 2.269 -4.272 497 1HD2 LEU 68 21HD LEU 68 3.988 5.082 -1.630 498 2HD2 LEU 68 22HD LEU 68 5.196 3.982 -2.276 499 3HD2 LEU 68 23HD LEU 68 3.797 3.340 -1.401 500 H VAL 69 H VAL 69 6.854 3.544 -6.469 501 HA VAL 69 HA VAL 69 8.364 3.008 -4.101 502 HB VAL 69 HB VAL 69 9.169 2.566 -6.990 503 1HG1 VAL 69 11HG VAL 69 11.049 2.478 -5.454 504 2HG1 VAL 69 12HG VAL 69 10.693 0.869 -6.085 505 3HG1 VAL 69 13HG VAL 69 10.194 1.307 -4.452 506 1HG2 VAL 69 21HG VAL 69 7.079 1.399 -6.554 507 2HG2 VAL 69 22HG VAL 69 7.749 0.647 -5.113 508 3HG2 VAL 69 23HG VAL 69 8.394 0.239 -6.700 509 H GLY 70 H GLY 70 9.238 4.678 -3.169 510 1HA GLY 70 1HA GLY 70 11.229 5.984 -2.994 511 2HA GLY 70 2HA GLY 70 11.148 6.260 -4.729 512 H VAL 71 H VAL 71 8.246 6.495 -2.773 513 HA VAL 71 HA VAL 71 8.414 9.394 -3.120 514 HB VAL 71 HB VAL 71 6.036 9.547 -3.211 515 1HG1 VAL 71 11HG VAL 71 6.915 7.270 -4.958 516 2HG1 VAL 71 12HG VAL 71 7.064 8.992 -5.313 517 3HG1 VAL 71 13HG VAL 71 5.467 8.249 -5.192 518 1HG2 VAL 71 21HG VAL 71 4.525 7.670 -2.966 519 2HG2 VAL 71 22HG VAL 71 5.515 7.838 -1.519 520 3HG2 VAL 71 23HG VAL 71 5.882 6.574 -2.698 521 H THR 72 H THR 72 6.994 10.548 -1.475 522 HA THR 72 HA THR 72 7.809 9.697 1.175 523 HB THR 72 HB THR 72 6.884 12.078 1.614 524 HG1 THR 72 HG1 THR 72 7.420 12.644 -1.031 525 1HG2 THR 72 21HG THR 72 9.292 11.668 -0.186 526 2HG2 THR 72 22HG THR 72 9.296 11.443 1.558 527 3HG2 THR 72 23HG THR 72 9.033 13.045 0.882 528 H GLN 73 H GLN 73 6.288 10.283 2.905 529 HA GLN 73 HA GLN 73 4.018 8.707 2.635 530 1HB GLN 73 1HB GLN 73 3.759 8.870 4.892 531 2HB GLN 73 2HB GLN 73 5.322 9.647 4.816 532 1HG GLN 73 1HG GLN 73 2.773 11.230 4.746 533 2HG GLN 73 2HG GLN 73 3.482 10.699 6.260 534 1HE2 GLN 73 21HE GLN 73 5.492 11.644 3.605 535 2HE2 GLN 73 22HE GLN 73 6.010 13.132 4.271 536 H ASN 74 H ASN 74 4.395 12.092 1.946 537 HA ASN 74 HA ASN 74 1.578 12.610 2.081 538 1HB ASN 74 1HB ASN 74 2.044 14.798 1.109 539 2HB ASN 74 2HB ASN 74 3.215 14.475 2.374 540 1HD2 ASN 74 21HD ASN 74 5.363 14.459 1.838 541 2HD2 ASN 74 22HD ASN 74 5.925 14.744 0.239 542 H PHE 75 H PHE 75 3.809 11.644 -0.451 543 HA PHE 75 HA PHE 75 1.924 11.942 -2.565 544 1HB PHE 75 1HB PHE 75 4.422 11.730 -2.911 545 2HB PHE 75 2HB PHE 75 4.273 10.051 -2.414 546 HD1 PHE 75 HD1 PHE 75 2.882 8.457 -3.856 547 HD2 PHE 75 HD2 PHE 75 3.978 12.369 -5.148 548 HE1 PHE 75 HE1 PHE 75 2.428 7.809 -6.175 549 HE2 PHE 75 HE2 PHE 75 3.514 11.716 -7.474 550 HZ PHE 75 HZ PHE 75 2.737 9.434 -7.983 551 H ALA 76 H ALA 76 3.095 9.241 -0.596 552 HA ALA 76 HA ALA 76 1.502 7.273 -1.730 553 1HB ALA 76 1HB ALA 76 2.535 7.381 1.088 554 2HB ALA 76 2HB ALA 76 3.435 6.834 -0.331 555 3HB ALA 76 3HB ALA 76 2.003 5.949 0.202 556 H ALA 77 H ALA 77 0.848 9.309 1.145 557 HA ALA 77 HA ALA 77 -1.593 8.132 1.815 558 1HB ALA 77 1HB ALA 77 -0.402 9.682 3.303 559 2HB ALA 77 2HB ALA 77 -2.075 10.190 3.045 560 3HB ALA 77 3HB ALA 77 -0.763 11.007 2.198 561 H THR 78 H THR 78 -0.779 10.564 -0.534 562 HA THR 78 HA THR 78 -3.403 11.337 -1.183 563 HB THR 78 HB THR 78 -0.829 11.428 -2.762 564 HG1 THR 78 HG1 THR 78 -0.792 12.728 -0.930 565 1HG2 THR 78 21HG THR 78 -2.732 11.485 -4.277 566 2HG2 THR 78 22HG THR 78 -1.956 13.075 -4.215 567 3HG2 THR 78 23HG THR 78 -3.472 12.787 -3.347 568 H VAL 79 H VAL 79 -1.240 8.870 -2.556 569 HA VAL 79 HA VAL 79 -2.968 7.969 -4.592 570 HB VAL 79 HB VAL 79 -0.967 6.217 -3.102 571 1HG1 VAL 79 11HG VAL 79 -0.879 4.939 -5.145 572 2HG1 VAL 79 12HG VAL 79 -2.074 6.003 -5.883 573 3HG1 VAL 79 13HG VAL 79 -2.518 5.005 -4.501 574 1HG2 VAL 79 21HG VAL 79 -0.563 8.053 -5.443 575 2HG2 VAL 79 22HG VAL 79 0.615 6.868 -4.864 576 3HG2 VAL 79 23HG VAL 79 0.148 8.227 -3.842 577 H LEU 80 H LEU 80 -2.403 6.657 -1.350 578 HA LEU 80 HA LEU 80 -4.488 4.756 -1.480 579 1HB LEU 80 1HB LEU 80 -2.967 5.889 0.871 580 2HB LEU 80 2HB LEU 80 -4.217 4.694 1.085 581 HG LEU 80 HG LEU 80 -2.136 3.566 1.218 582 1HD1 LEU 80 11HD LEU 80 -3.812 2.357 0.024 583 2HD1 LEU 80 12HD LEU 80 -2.190 1.953 -0.533 584 3HD1 LEU 80 13HD LEU 80 -3.219 3.006 -1.507 585 1HD2 LEU 80 21HD LEU 80 -0.690 5.200 0.136 586 2HD2 LEU 80 22HD LEU 80 -1.348 4.747 -1.436 587 3HD2 LEU 80 23HD LEU 80 -0.417 3.580 -0.495 588 H ARG 81 H ARG 81 -4.748 8.002 -1.316 589 HA ARG 81 HA ARG 81 -7.305 8.057 0.107 590 1HB ARG 81 1HB ARG 81 -5.843 9.841 0.756 591 2HB ARG 81 2HB ARG 81 -5.420 10.199 -0.895 592 1HG ARG 81 1HG ARG 81 -8.213 10.672 0.098 593 2HG ARG 81 2HG ARG 81 -6.931 11.837 0.426 594 1HD ARG 81 1HD ARG 81 -6.506 12.013 -2.001 595 2HD ARG 81 2HD ARG 81 -7.811 10.872 -2.301 596 HE ARG 81 HE ARG 81 -8.541 13.215 -0.804 597 1HH1 ARG 81 11HH ARG 81 -8.341 11.750 -4.029 598 2HH1 ARG 81 12HH ARG 81 -9.457 12.807 -4.739 599 1HH2 ARG 81 21HH ARG 81 -9.999 14.750 -1.824 600 2HH2 ARG 81 22HH ARG 81 -10.400 14.580 -3.460 601 H ASN 82 H ASN 82 -5.897 8.310 -3.046 602 HA ASN 82 HA ASN 82 -8.282 9.301 -4.299 603 1HB ASN 82 1HB ASN 82 -5.533 8.751 -5.173 604 2HB ASN 82 2HB ASN 82 -6.758 8.711 -6.430 605 1HD2 ASN 82 21HD ASN 82 -5.139 10.626 -4.074 606 2HD2 ASN 82 22HD ASN 82 -5.710 12.160 -4.632 607 H THR 83 H THR 83 -7.127 6.314 -3.452 608 HA THR 83 HA THR 83 -7.870 4.629 -5.504 609 HB THR 83 HB THR 83 -8.085 3.027 -3.524 610 HG1 THR 83 HG1 THR 83 -8.410 5.014 -2.166 611 1HG2 THR 83 21HG THR 83 -5.648 3.015 -3.242 612 2HG2 THR 83 22HG THR 83 -5.555 4.622 -3.957 613 3HG2 THR 83 23HG THR 83 -6.076 3.251 -4.936 614 H LYS 84 H LYS 84 -9.652 3.415 -5.838 615 HA LYS 84 HA LYS 84 -12.123 4.292 -4.562 616 1HB LYS 84 1HB LYS 84 -13.182 3.511 -6.797 617 2HB LYS 84 2HB LYS 84 -12.305 5.024 -6.797 618 1HG LYS 84 1HG LYS 84 -11.700 3.928 -8.792 619 2HG LYS 84 2HG LYS 84 -10.330 3.725 -7.705 620 1HD LYS 84 1HD LYS 84 -11.177 1.459 -7.150 621 2HD LYS 84 2HD LYS 84 -12.450 1.681 -8.347 622 1HE LYS 84 1HE LYS 84 -9.478 1.666 -8.863 623 2HE LYS 84 2HE LYS 84 -10.623 0.397 -9.272 624 1HZ LYS 84 1HZ LYS 84 -10.120 1.668 -11.193 625 2HZ LYS 84 2HZ LYS 84 -10.438 3.109 -10.457 626 3HZ LYS 84 3HZ LYS 84 -11.716 2.039 -10.786 627 H GLY 85 H GLY 85 -13.723 2.166 -5.604 628 1HA GLY 85 1HA GLY 85 -13.570 0.250 -3.684 629 2HA GLY 85 2HA GLY 85 -14.323 0.038 -5.250 630 H ASN 86 H ASN 86 -12.803 -0.713 -7.029 631 HA ASN 86 HA ASN 86 -11.284 -2.925 -5.929 632 1HB ASN 86 1HB ASN 86 -11.992 -2.264 -8.772 633 2HB ASN 86 2HB ASN 86 -10.883 -3.569 -8.357 634 1HD2 ASN 86 21HD ASN 86 -11.692 -5.425 -7.365 635 2HD2 ASN 86 22HD ASN 86 -13.362 -5.780 -7.271 636 H VAL 87 H VAL 87 -9.444 -2.465 -5.152 637 HA VAL 87 HA VAL 87 -7.636 -0.656 -6.635 638 HB VAL 87 HB VAL 87 -7.090 -1.628 -3.903 639 1HG1 VAL 87 11HG VAL 87 -6.469 0.920 -5.315 640 2HG1 VAL 87 12HG VAL 87 -5.388 -0.441 -5.003 641 3HG1 VAL 87 13HG VAL 87 -5.998 0.526 -3.655 642 1HG2 VAL 87 21HG VAL 87 -8.963 0.657 -4.472 643 2HG2 VAL 87 22HG VAL 87 -8.314 0.173 -2.887 644 3HG2 VAL 87 23HG VAL 87 -9.359 -0.921 -3.785 645 H ARG 88 H ARG 88 -5.799 -1.505 -7.418 646 HA ARG 88 HA ARG 88 -5.057 -4.228 -6.663 647 1HB ARG 88 1HB ARG 88 -4.102 -2.388 -8.850 648 2HB ARG 88 2HB ARG 88 -3.323 -3.926 -8.485 649 1HG ARG 88 1HG ARG 88 -5.234 -5.155 -9.073 650 2HG ARG 88 2HG ARG 88 -6.242 -3.710 -9.097 651 1HD ARG 88 1HD ARG 88 -5.798 -4.400 -11.312 652 2HD ARG 88 2HD ARG 88 -4.965 -2.877 -10.960 653 HE ARG 88 HE ARG 88 -3.162 -5.013 -10.561 654 1HH1 ARG 88 11HH ARG 88 -4.734 -3.315 -13.293 655 2HH1 ARG 88 12HH ARG 88 -3.519 -3.761 -14.393 656 1HH2 ARG 88 21HH ARG 88 -1.537 -5.573 -12.163 657 2HH2 ARG 88 22HH ARG 88 -1.707 -5.026 -13.765 658 H PHE 89 H PHE 89 -4.182 -4.192 -4.768 659 HA PHE 89 HA PHE 89 -2.070 -2.280 -4.156 660 1HB PHE 89 1HB PHE 89 -3.270 -4.505 -2.502 661 2HB PHE 89 2HB PHE 89 -2.031 -3.395 -1.959 662 HD1 PHE 89 HD1 PHE 89 -2.570 -1.084 -1.515 663 HD2 PHE 89 HD2 PHE 89 -5.522 -3.912 -2.603 664 HE1 PHE 89 HE1 PHE 89 -4.300 0.416 -0.644 665 HE2 PHE 89 HE2 PHE 89 -7.267 -2.414 -1.744 666 HZ PHE 89 HZ PHE 89 -6.656 -0.248 -0.758 667 H VAL 90 H VAL 90 -0.264 -2.918 -5.211 668 HA VAL 90 HA VAL 90 0.373 -5.734 -5.145 669 HB VAL 90 HB VAL 90 2.015 -3.436 -6.222 670 1HG1 VAL 90 11HG VAL 90 3.321 -5.185 -7.383 671 2HG1 VAL 90 12HG VAL 90 2.330 -6.419 -6.608 672 3HG1 VAL 90 13HG VAL 90 3.371 -5.387 -5.632 673 1HG2 VAL 90 21HG VAL 90 -0.062 -3.691 -7.466 674 2HG2 VAL 90 22HG VAL 90 0.295 -5.400 -7.720 675 3HG2 VAL 90 23HG VAL 90 1.323 -4.164 -8.452 676 H ILE 91 H ILE 91 0.591 -5.976 -3.054 677 HA ILE 91 HA ILE 91 2.741 -4.576 -1.686 678 HB ILE 91 HB ILE 91 0.362 -6.212 -0.812 679 1HG1 ILE 91 11HG ILE 91 1.122 -3.358 -0.264 680 2HG1 ILE 91 12HG ILE 91 -0.025 -3.856 -1.497 681 1HG2 ILE 91 21HG ILE 91 2.196 -6.807 0.684 682 2HG2 ILE 91 22HG ILE 91 0.966 -5.845 1.501 683 3HG2 ILE 91 23HG ILE 91 2.485 -5.094 1.007 684 1HD1 ILE 91 11HD ILE 91 -1.399 -4.789 0.146 685 2HD1 ILE 91 12HD ILE 91 -1.085 -3.039 0.355 686 3HD1 ILE 91 13HD ILE 91 -0.288 -4.224 1.429 687 H GLY 92 H GLY 92 4.227 -5.957 -0.481 688 1HA GLY 92 1HA GLY 92 4.351 -8.605 -1.658 689 2HA GLY 92 2HA GLY 92 5.793 -7.609 -1.631 690 H ARG 93 H ARG 93 5.372 -10.144 -0.412 691 HA ARG 93 HA ARG 93 5.763 -9.371 2.384 692 1HB ARG 93 1HB ARG 93 3.620 -10.618 1.925 693 2HB ARG 93 2HB ARG 93 4.606 -11.996 1.448 694 1HG ARG 93 1HG ARG 93 3.891 -12.330 3.692 695 2HG ARG 93 2HG ARG 93 5.620 -11.957 3.709 696 1HD ARG 93 1HD ARG 93 5.058 -9.593 4.206 697 2HD ARG 93 2HD ARG 93 3.362 -10.054 4.297 698 HE ARG 93 HE ARG 93 4.963 -11.595 6.037 699 1HH1 ARG 93 11HH ARG 93 3.306 -8.497 5.654 700 2HH1 ARG 93 12HH ARG 93 3.418 -8.074 7.311 701 1HH2 ARG 93 21HH ARG 93 5.043 -11.045 8.315 702 2HH2 ARG 93 22HH ARG 93 4.377 -9.562 8.862 703 H GLU 94 H GLU 94 7.894 -9.651 2.871 704 HA GLU 94 HA GLU 94 9.266 -11.861 1.615 705 1HB GLU 94 1HB GLU 94 11.376 -10.918 2.510 706 2HB GLU 94 2HB GLU 94 10.493 -9.765 1.536 707 1HG GLU 94 1HG GLU 94 9.833 -8.526 3.457 708 2HG GLU 94 2HG GLU 94 10.481 -9.761 4.536 Start of MODEL 18 1 1H GLY 1 1H GLY 1 12.273 -12.094 3.342 2 2H GLY 1 2H GLY 1 13.716 -11.310 2.970 3 3H GLY 1 3H GLY 1 13.665 -12.420 4.256 4 1HA GLY 1 1HA GLY 1 14.725 -13.365 2.327 5 2HA GLY 1 2HA GLY 1 13.202 -14.181 2.668 6 H HIS 2 H HIS 2 12.032 -14.528 0.911 7 HA HIS 2 HA HIS 2 12.474 -12.945 -1.482 8 1HB HIS 2 1HB HIS 2 12.441 -15.360 -1.745 9 2HB HIS 2 2HB HIS 2 10.892 -15.466 -0.930 10 HD1 HIS 2 HD1 HIS 2 12.424 -14.739 -4.288 11 HD2 HIS 2 HD2 HIS 2 8.663 -14.875 -2.521 12 HE1 HIS 2 HE1 HIS 2 10.766 -14.725 -6.169 13 H MET 3 H MET 3 11.329 -11.116 -1.648 14 HA MET 3 HA MET 3 8.791 -10.891 -0.294 15 1HB MET 3 1HB MET 3 10.379 -8.969 -0.366 16 2HB MET 3 2HB MET 3 10.169 -8.900 -2.111 17 1HG MET 3 1HG MET 3 7.806 -8.417 -1.826 18 2HG MET 3 2HG MET 3 7.972 -8.506 -0.078 19 1HE MET 3 1HE MET 3 6.598 -5.991 -1.162 20 2HE MET 3 2HE MET 3 7.487 -4.690 -0.374 21 3HE MET 3 3HE MET 3 7.087 -6.153 0.526 22 H GLU 4 H GLU 4 7.066 -11.662 -1.214 23 HA GLU 4 HA GLU 4 7.061 -12.087 -4.087 24 1HB GLU 4 1HB GLU 4 6.414 -13.932 -2.569 25 2HB GLU 4 2HB GLU 4 5.121 -12.904 -1.955 26 1HG GLU 4 1HG GLU 4 4.022 -12.919 -4.091 27 2HG GLU 4 2HG GLU 4 5.356 -13.820 -4.797 28 H LEU 5 H LEU 5 6.333 -10.437 -5.265 29 HA LEU 5 HA LEU 5 4.549 -8.481 -4.092 30 1HB LEU 5 1HB LEU 5 5.769 -8.549 -6.859 31 2HB LEU 5 2HB LEU 5 4.882 -7.214 -6.158 32 HG LEU 5 HG LEU 5 7.059 -6.549 -6.051 33 1HD1 LEU 5 11HD LEU 5 5.969 -6.163 -3.977 34 2HD1 LEU 5 12HD LEU 5 7.695 -6.455 -3.723 35 3HD1 LEU 5 13HD LEU 5 6.523 -7.730 -3.382 36 1HD2 LEU 5 21HD LEU 5 8.188 -8.602 -6.639 37 2HD2 LEU 5 22HD LEU 5 7.881 -9.261 -5.033 38 3HD2 LEU 5 23HD LEU 5 8.955 -7.876 -5.227 39 H PHE 6 H PHE 6 2.411 -8.474 -4.421 40 HA PHE 6 HA PHE 6 1.378 -9.925 -6.691 41 1HB PHE 6 1HB PHE 6 -0.380 -10.797 -5.038 42 2HB PHE 6 2HB PHE 6 1.141 -11.690 -5.179 43 HD1 PHE 6 HD1 PHE 6 -0.785 -9.205 -3.286 44 HD2 PHE 6 HD2 PHE 6 2.359 -12.009 -3.201 45 HE1 PHE 6 HE1 PHE 6 -0.651 -8.953 -0.818 46 HE2 PHE 6 HE2 PHE 6 2.535 -11.792 -0.789 47 HZ PHE 6 HZ PHE 6 1.017 -10.252 0.436 48 HA PRO 7 HA PRO 7 -1.536 -6.586 -6.634 49 1HB PRO 7 1HB PRO 7 -3.240 -7.478 -8.415 50 2HB PRO 7 2HB PRO 7 -1.634 -6.935 -8.884 51 1HG PRO 7 1HG PRO 7 -2.649 -9.743 -8.549 52 2HG PRO 7 2HG PRO 7 -1.537 -9.109 -9.782 53 1HD PRO 7 1HD PRO 7 -0.793 -10.467 -7.458 54 2HD PRO 7 2HD PRO 7 0.267 -9.381 -8.400 55 H VAL 8 H VAL 8 -2.958 -6.297 -5.102 56 HA VAL 8 HA VAL 8 -4.914 -8.386 -4.607 57 HB VAL 8 HB VAL 8 -4.303 -6.017 -2.838 58 1HG1 VAL 8 11HG VAL 8 -5.436 -7.297 -1.089 59 2HG1 VAL 8 12HG VAL 8 -5.815 -8.547 -2.281 60 3HG1 VAL 8 13HG VAL 8 -6.468 -6.915 -2.468 61 1HG2 VAL 8 21HG VAL 8 -3.033 -7.547 -1.384 62 2HG2 VAL 8 22HG VAL 8 -2.305 -7.336 -2.979 63 3HG2 VAL 8 23HG VAL 8 -3.198 -8.811 -2.610 64 H GLU 9 H GLU 9 -6.562 -7.906 -6.002 65 HA GLU 9 HA GLU 9 -7.386 -5.163 -6.331 66 1HB GLU 9 1HB GLU 9 -7.608 -6.848 -8.181 67 2HB GLU 9 2HB GLU 9 -8.821 -7.679 -7.211 68 1HG GLU 9 1HG GLU 9 -10.129 -5.531 -7.206 69 2HG GLU 9 2HG GLU 9 -8.979 -4.923 -8.397 70 H LEU 10 H LEU 10 -8.371 -4.274 -4.715 71 HA LEU 10 HA LEU 10 -9.992 -5.928 -2.911 72 1HB LEU 10 1HB LEU 10 -8.004 -4.123 -2.418 73 2HB LEU 10 2HB LEU 10 -9.419 -3.097 -2.358 74 HG LEU 10 HG LEU 10 -8.916 -3.707 -0.139 75 1HD1 LEU 10 11HD LEU 10 -11.285 -3.760 -0.620 76 2HD1 LEU 10 12HD LEU 10 -10.857 -4.943 0.613 77 3HD1 LEU 10 13HD LEU 10 -11.173 -5.468 -1.038 78 1HD2 LEU 10 21HD LEU 10 -7.446 -5.564 -0.598 79 2HD2 LEU 10 22HD LEU 10 -8.823 -6.559 -1.069 80 3HD2 LEU 10 23HD LEU 10 -8.659 -6.010 0.599 81 H GLU 11 H GLU 11 -12.200 -5.524 -2.985 82 HA GLU 11 HA GLU 11 -12.954 -3.087 -4.388 83 1HB GLU 11 1HB GLU 11 -13.907 -5.219 -5.302 84 2HB GLU 11 2HB GLU 11 -14.732 -5.455 -3.763 85 1HG GLU 11 1HG GLU 11 -16.049 -3.493 -4.098 86 2HG GLU 11 2HG GLU 11 -15.119 -3.062 -5.534 87 H LYS 12 H LYS 12 -12.884 -1.615 -2.957 88 HA LYS 12 HA LYS 12 -13.729 -2.095 -0.278 89 1HB LYS 12 1HB LYS 12 -12.317 0.124 -1.630 90 2HB LYS 12 2HB LYS 12 -13.062 0.472 -0.093 91 1HG LYS 12 1HG LYS 12 -10.980 -1.648 -0.679 92 2HG LYS 12 2HG LYS 12 -10.687 -0.122 0.169 93 1HD LYS 12 1HD LYS 12 -12.825 -1.647 1.354 94 2HD LYS 12 2HD LYS 12 -11.321 -2.599 1.337 95 1HE LYS 12 1HE LYS 12 -11.468 -1.511 3.415 96 2HE LYS 12 2HE LYS 12 -10.319 -0.573 2.512 97 1HZ LYS 12 1HZ LYS 12 -13.199 0.154 2.861 98 2HZ LYS 12 2HZ LYS 12 -12.129 1.038 1.952 99 3HZ LYS 12 3HZ LYS 12 -11.915 0.914 3.609 100 H ASP 13 H ASP 13 -14.770 -0.193 0.794 101 HA ASP 13 HA ASP 13 -17.428 -0.013 -0.226 102 1HB ASP 13 1HB ASP 13 -17.774 0.936 2.100 103 2HB ASP 13 2HB ASP 13 -17.262 -0.742 2.016 104 H GLU 14 H GLU 14 -18.448 2.111 0.455 105 HA GLU 14 HA GLU 14 -17.430 4.015 -1.366 106 1HB GLU 14 1HB GLU 14 -19.409 5.372 -0.707 107 2HB GLU 14 2HB GLU 14 -19.764 3.738 -1.250 108 1HG GLU 14 1HG GLU 14 -19.961 3.048 1.111 109 2HG GLU 14 2HG GLU 14 -19.722 4.728 1.581 110 H ASP 15 H ASP 15 -16.675 3.629 1.856 111 HA ASP 15 HA ASP 15 -16.162 6.366 2.503 112 1HB ASP 15 1HB ASP 15 -16.380 4.615 4.228 113 2HB ASP 15 2HB ASP 15 -14.924 3.849 3.621 114 H GLY 16 H GLY 16 -14.473 3.740 0.977 115 1HA GLY 16 1HA GLY 16 -12.835 4.407 -0.723 116 2HA GLY 16 2HA GLY 16 -12.175 5.507 0.498 117 H LEU 17 H LEU 17 -10.323 4.665 1.195 118 HA LEU 17 HA LEU 17 -10.328 1.773 1.727 119 1HB LEU 17 1HB LEU 17 -7.970 3.567 2.166 120 2HB LEU 17 2HB LEU 17 -8.002 1.838 1.969 121 HG LEU 17 HG LEU 17 -8.406 3.916 -0.076 122 1HD1 LEU 17 11HD LEU 17 -6.417 2.879 -1.098 123 2HD1 LEU 17 12HD LEU 17 -6.285 1.849 0.333 124 3HD1 LEU 17 13HD LEU 17 -6.133 3.600 0.484 125 1HD2 LEU 17 21HD LEU 17 -8.671 0.926 -0.406 126 2HD2 LEU 17 22HD LEU 17 -8.588 2.095 -1.734 127 3HD2 LEU 17 23HD LEU 17 -9.940 2.137 -0.607 128 H GLY 18 H GLY 18 -9.618 4.877 3.187 129 1HA GLY 18 1HA GLY 18 -9.866 5.596 5.319 130 2HA GLY 18 2HA GLY 18 -10.664 4.071 5.696 131 H ILE 19 H ILE 19 -7.508 4.269 4.185 132 HA ILE 19 HA ILE 19 -6.455 3.091 6.673 133 HB ILE 19 HB ILE 19 -4.842 1.804 5.441 134 1HG1 ILE 19 11HG ILE 19 -5.883 3.122 2.920 135 2HG1 ILE 19 12HG ILE 19 -4.355 3.474 3.733 136 1HG2 ILE 19 21HG ILE 19 -7.079 0.835 5.598 137 2HG2 ILE 19 22HG ILE 19 -6.265 0.326 4.117 138 3HG2 ILE 19 23HG ILE 19 -7.509 1.574 4.058 139 1HD1 ILE 19 11HD ILE 19 -5.099 0.828 2.495 140 2HD1 ILE 19 12HD ILE 19 -3.574 1.208 3.295 141 3HD1 ILE 19 13HD ILE 19 -4.010 2.025 1.795 142 H SER 20 H SER 20 -3.887 3.289 6.593 143 HA SER 20 HA SER 20 -3.134 6.040 5.898 144 1HB SER 20 1HB SER 20 -2.838 4.759 8.626 145 2HB SER 20 2HB SER 20 -2.281 6.369 8.196 146 HG SER 20 HG SER 20 -4.813 6.184 7.514 147 H ILE 21 H ILE 21 -0.842 6.316 5.859 148 HA ILE 21 HA ILE 21 0.660 3.798 5.593 149 HB ILE 21 HB ILE 21 1.878 4.827 3.702 150 1HG1 ILE 21 11HG ILE 21 0.362 6.713 2.528 151 2HG1 ILE 21 12HG ILE 21 -0.047 7.041 4.188 152 1HG2 ILE 21 21HG ILE 21 0.144 4.473 1.993 153 2HG2 ILE 21 22HG ILE 21 -1.083 4.490 3.262 154 3HG2 ILE 21 23HG ILE 21 0.142 3.223 3.237 155 1HD1 ILE 21 11HD ILE 21 2.298 7.428 4.741 156 2HD1 ILE 21 12HD ILE 21 1.799 8.492 3.445 157 3HD1 ILE 21 13HD ILE 21 2.769 7.085 3.089 158 H ILE 22 H ILE 22 3.038 4.213 5.676 159 HA ILE 22 HA ILE 22 3.631 6.673 7.020 160 HB ILE 22 HB ILE 22 3.205 5.140 8.815 161 1HG1 ILE 22 11HG ILE 22 6.175 5.692 8.585 162 2HG1 ILE 22 12HG ILE 22 4.964 6.820 9.172 163 1HG2 ILE 22 21HG ILE 22 5.356 3.400 7.653 164 2HG2 ILE 22 22HG ILE 22 3.631 3.033 7.733 165 3HG2 ILE 22 23HG ILE 22 4.586 3.140 9.219 166 1HD1 ILE 22 11HD ILE 22 6.217 5.828 11.001 167 2HD1 ILE 22 12HD ILE 22 5.736 4.218 10.474 168 3HD1 ILE 22 13HD ILE 22 4.523 5.346 11.075 169 H GLY 23 H GLY 23 5.588 7.517 6.541 170 1HA GLY 23 1HA GLY 23 7.056 6.098 4.484 171 2HA GLY 23 2HA GLY 23 7.190 7.822 4.852 172 H MET 24 H MET 24 8.489 4.809 5.160 173 HA MET 24 HA MET 24 10.383 5.738 7.220 174 1HB MET 24 1HB MET 24 9.463 2.900 6.689 175 2HB MET 24 2HB MET 24 10.718 3.353 7.826 176 1HG MET 24 1HG MET 24 7.806 4.092 7.995 177 2HG MET 24 2HG MET 24 8.628 2.864 8.958 178 1HE MET 24 1HE MET 24 11.449 4.418 9.503 179 2HE MET 24 2HE MET 24 10.586 3.438 10.685 180 3HE MET 24 3HE MET 24 11.078 5.084 11.094 181 H GLY 25 H GLY 25 11.984 6.420 5.917 182 1HA GLY 25 1HA GLY 25 12.513 5.275 3.388 183 2HA GLY 25 2HA GLY 25 13.541 6.437 4.185 184 H VAL 26 H VAL 26 13.031 3.251 3.320 185 HA VAL 26 HA VAL 26 15.475 2.329 4.665 186 HB VAL 26 HB VAL 26 13.244 1.306 5.411 187 1HG1 VAL 26 11HG VAL 26 12.030 1.315 3.377 188 2HG1 VAL 26 12HG VAL 26 12.132 -0.336 3.992 189 3HG1 VAL 26 13HG VAL 26 13.156 0.169 2.647 190 1HG2 VAL 26 21HG VAL 26 15.290 0.065 5.800 191 2HG2 VAL 26 22HG VAL 26 15.200 -0.632 4.182 192 3HG2 VAL 26 23HG VAL 26 13.976 -1.035 5.390 193 H GLY 27 H GLY 27 15.252 3.761 2.390 194 1HA GLY 27 1HA GLY 27 15.150 1.981 0.081 195 2HA GLY 27 2HA GLY 27 15.053 3.723 0.018 196 H ALA 28 H ALA 28 17.668 3.600 1.799 197 HA ALA 28 HA ALA 28 19.351 2.961 -0.517 198 1HB ALA 28 1HB ALA 28 20.608 5.002 -0.334 199 2HB ALA 28 2HB ALA 28 19.629 5.510 1.044 200 3HB ALA 28 3HB ALA 28 18.895 5.361 -0.553 201 H ASP 29 H ASP 29 20.055 4.362 2.606 202 HA ASP 29 HA ASP 29 22.541 3.064 2.884 203 1HB ASP 29 1HB ASP 29 21.992 5.131 4.083 204 2HB ASP 29 2HB ASP 29 20.815 4.258 5.059 205 H ALA 30 H ALA 30 19.373 2.158 3.866 206 HA ALA 30 HA ALA 30 19.972 0.142 5.720 207 1HB ALA 30 1HB ALA 30 17.592 0.335 3.901 208 2HB ALA 30 2HB ALA 30 17.763 1.130 5.467 209 3HB ALA 30 3HB ALA 30 17.712 -0.631 5.369 210 H GLY 31 H GLY 31 20.103 0.106 2.234 211 1HA GLY 31 1HA GLY 31 21.291 -1.510 1.007 212 2HA GLY 31 2HA GLY 31 21.191 -2.576 2.405 213 H LEU 32 H LEU 32 18.183 -1.569 2.107 214 HA LEU 32 HA LEU 32 17.409 -3.990 0.733 215 1HB LEU 32 1HB LEU 32 15.796 -1.897 2.177 216 2HB LEU 32 2HB LEU 32 15.039 -3.176 1.261 217 HG LEU 32 HG LEU 32 16.109 -4.849 2.770 218 1HD1 LEU 32 11HD LEU 32 18.028 -3.543 3.535 219 2HD1 LEU 32 12HD LEU 32 17.071 -4.153 4.886 220 3HD1 LEU 32 13HD LEU 32 16.940 -2.463 4.405 221 1HD2 LEU 32 21HD LEU 32 13.837 -4.123 3.152 222 2HD2 LEU 32 22HD LEU 32 14.413 -2.761 4.111 223 3HD2 LEU 32 23HD LEU 32 14.657 -4.410 4.686 224 H GLU 33 H GLU 33 17.230 -0.571 0.243 225 HA GLU 33 HA GLU 33 16.680 0.758 -1.430 226 1HB GLU 33 1HB GLU 33 17.794 -1.487 -3.094 227 2HB GLU 33 2HB GLU 33 17.450 0.127 -3.706 228 1HG GLU 33 1HG GLU 33 19.068 1.029 -2.063 229 2HG GLU 33 2HG GLU 33 19.464 -0.628 -1.602 230 H LYS 34 H LYS 34 14.508 0.684 -0.899 231 HA LYS 34 HA LYS 34 12.818 0.028 -3.078 232 1HB LYS 34 1HB LYS 34 11.397 -1.502 -1.848 233 2HB LYS 34 2HB LYS 34 13.039 -2.132 -1.793 234 1HG LYS 34 1HG LYS 34 13.183 -0.907 0.488 235 2HG LYS 34 2HG LYS 34 11.443 -0.848 0.382 236 1HD LYS 34 1HD LYS 34 13.068 -3.388 0.279 237 2HD LYS 34 2HD LYS 34 12.195 -2.794 1.688 238 1HE LYS 34 1HE LYS 34 10.095 -2.982 0.466 239 2HE LYS 34 2HE LYS 34 10.963 -3.548 -0.958 240 1HZ LYS 34 1HZ LYS 34 11.763 -5.432 0.433 241 2HZ LYS 34 2HZ LYS 34 10.116 -5.423 0.152 242 3HZ LYS 34 3HZ LYS 34 10.683 -4.966 1.652 243 H LEU 35 H LEU 35 10.631 0.894 -2.462 244 HA LEU 35 HA LEU 35 10.552 3.337 -1.184 245 1HB LEU 35 1HB LEU 35 8.146 2.986 -1.318 246 2HB LEU 35 2HB LEU 35 8.960 2.463 -2.790 247 HG LEU 35 HG LEU 35 8.889 0.204 -1.217 248 1HD1 LEU 35 11HD LEU 35 6.291 1.644 -0.974 249 2HD1 LEU 35 12HD LEU 35 7.377 1.051 0.304 250 3HD1 LEU 35 13HD LEU 35 6.521 -0.085 -0.724 251 1HD2 LEU 35 21HD LEU 35 8.661 0.301 -3.605 252 2HD2 LEU 35 22HD LEU 35 7.012 0.951 -3.449 253 3HD2 LEU 35 23HD LEU 35 7.407 -0.676 -2.868 254 H GLY 36 H GLY 36 9.812 3.877 0.968 255 1HA GLY 36 1HA GLY 36 9.785 1.574 2.774 256 2HA GLY 36 2HA GLY 36 10.360 3.177 3.217 257 H ILE 37 H ILE 37 7.490 2.538 1.345 258 HA ILE 37 HA ILE 37 6.024 3.955 3.391 259 HB ILE 37 HB ILE 37 5.098 3.109 0.640 260 1HG1 ILE 37 11HG ILE 37 6.981 4.784 0.834 261 2HG1 ILE 37 12HG ILE 37 5.570 5.375 -0.086 262 1HG2 ILE 37 21HG ILE 37 3.848 4.937 2.709 263 2HG2 ILE 37 22HG ILE 37 3.257 3.352 2.245 264 3HG2 ILE 37 23HG ILE 37 3.223 4.680 1.079 265 1HD1 ILE 37 11HD ILE 37 6.500 6.010 2.697 266 2HD1 ILE 37 12HD ILE 37 4.946 6.534 2.059 267 3HD1 ILE 37 13HD ILE 37 6.445 7.102 1.313 268 H PHE 38 H PHE 38 5.572 2.696 4.918 269 HA PHE 38 HA PHE 38 4.531 0.019 4.420 270 1HB PHE 38 1HB PHE 38 5.398 1.440 6.922 271 2HB PHE 38 2HB PHE 38 4.620 -0.135 6.943 272 HD1 PHE 38 HD1 PHE 38 7.708 1.690 6.327 273 HD2 PHE 38 HD2 PHE 38 5.748 -2.069 5.973 274 HE1 PHE 38 HE1 PHE 38 9.876 0.593 6.024 275 HE2 PHE 38 HE2 PHE 38 7.891 -3.174 5.661 276 HZ PHE 38 HZ PHE 38 9.987 -1.839 5.695 277 H VAL 39 H VAL 39 2.608 -0.638 5.583 278 HA VAL 39 HA VAL 39 0.611 1.410 5.440 279 HB VAL 39 HB VAL 39 0.339 -1.462 6.420 280 1HG1 VAL 39 11HG VAL 39 -1.751 0.517 5.510 281 2HG1 VAL 39 12HG VAL 39 -1.486 -0.021 7.165 282 3HG1 VAL 39 13HG VAL 39 -2.056 -1.163 5.945 283 1HG2 VAL 39 21HG VAL 39 1.129 -1.414 4.114 284 2HG2 VAL 39 22HG VAL 39 -0.173 -0.314 3.674 285 3HG2 VAL 39 23HG VAL 39 -0.546 -1.964 4.179 286 H LYS 40 H LYS 40 -0.067 2.561 7.065 287 HA LYS 40 HA LYS 40 1.310 2.318 9.613 288 1HB LYS 40 1HB LYS 40 1.275 4.489 8.560 289 2HB LYS 40 2HB LYS 40 -0.466 4.436 8.415 290 1HG LYS 40 1HG LYS 40 0.189 5.951 10.157 291 2HG LYS 40 2HG LYS 40 -0.671 4.574 10.838 292 1HD LYS 40 1HD LYS 40 1.455 3.587 11.525 293 2HD LYS 40 2HD LYS 40 2.326 4.958 10.819 294 1HE LYS 40 1HE LYS 40 1.157 6.464 12.264 295 2HE LYS 40 2HE LYS 40 0.248 5.124 12.970 296 1HZ LYS 40 1HZ LYS 40 3.203 5.555 13.173 297 2HZ LYS 40 2HZ LYS 40 2.390 4.245 13.842 298 3HZ LYS 40 3HZ LYS 40 2.082 5.807 14.385 299 H THR 41 H THR 41 -1.996 2.552 8.356 300 HA THR 41 HA THR 41 -2.994 1.017 10.601 301 HB THR 41 HB THR 41 -4.456 3.426 9.841 302 HG1 THR 41 HG1 THR 41 -3.287 4.485 11.766 303 1HG2 THR 41 21HG THR 41 -4.096 2.019 12.482 304 2HG2 THR 41 22HG THR 41 -5.479 1.898 11.385 305 3HG2 THR 41 23HG THR 41 -5.143 3.414 12.224 306 H VAL 42 H VAL 42 -5.229 0.409 10.066 307 HA VAL 42 HA VAL 42 -5.968 0.831 7.295 308 HB VAL 42 HB VAL 42 -6.354 -1.754 8.900 309 1HG1 VAL 42 11HG VAL 42 -7.234 -2.731 6.793 310 2HG1 VAL 42 12HG VAL 42 -7.115 -1.127 6.063 311 3HG1 VAL 42 13HG VAL 42 -8.214 -1.397 7.407 312 1HG2 VAL 42 21HG VAL 42 -4.852 -2.807 7.275 313 2HG2 VAL 42 22HG VAL 42 -4.045 -1.512 8.161 314 3HG2 VAL 42 23HG VAL 42 -4.593 -1.241 6.505 315 H THR 43 H THR 43 -8.399 0.828 7.122 316 HA THR 43 HA THR 43 -9.903 2.004 9.132 317 HB THR 43 HB THR 43 -10.643 1.955 6.777 318 HG1 THR 43 HG1 THR 43 -12.590 2.068 7.491 319 1HG2 THR 43 21HG THR 43 -11.045 -1.002 7.205 320 2HG2 THR 43 22HG THR 43 -9.806 -0.267 6.188 321 3HG2 THR 43 23HG THR 43 -11.510 -0.106 5.757 322 H GLU 44 H GLU 44 -11.789 0.915 10.293 323 HA GLU 44 HA GLU 44 -10.831 -1.044 12.047 324 1HB GLU 44 1HB GLU 44 -12.649 0.501 12.646 325 2HB GLU 44 2HB GLU 44 -13.709 -0.279 11.487 326 1HG GLU 44 1HG GLU 44 -13.614 -2.343 12.778 327 2HG GLU 44 2HG GLU 44 -12.531 -1.574 13.932 328 H GLY 45 H GLY 45 -12.717 -1.335 9.147 329 1HA GLY 45 1HA GLY 45 -11.852 -4.068 8.869 330 2HA GLY 45 2HA GLY 45 -13.577 -3.894 9.133 331 H GLY 46 H GLY 46 -14.292 -1.881 7.875 332 1HA GLY 46 1HA GLY 46 -15.379 -1.391 5.936 333 2HA GLY 46 2HA GLY 46 -13.736 -1.220 5.326 334 H ALA 47 H ALA 47 -13.098 -2.462 4.064 335 HA ALA 47 HA ALA 47 -14.163 -5.162 3.681 336 1HB ALA 47 1HB ALA 47 -15.238 -3.699 1.953 337 2HB ALA 47 2HB ALA 47 -14.285 -5.020 1.291 338 3HB ALA 47 3HB ALA 47 -13.624 -3.393 1.284 339 H ALA 48 H ALA 48 -11.653 -3.428 4.474 340 HA ALA 48 HA ALA 48 -9.627 -4.570 2.702 341 1HB ALA 48 1HB ALA 48 -9.352 -2.213 3.289 342 2HB ALA 48 2HB ALA 48 -8.031 -3.164 3.961 343 3HB ALA 48 3HB ALA 48 -9.349 -2.626 5.001 344 H GLN 49 H GLN 49 -10.254 -4.309 6.248 345 HA GLN 49 HA GLN 49 -8.549 -6.545 6.585 346 1HB GLN 49 1HB GLN 49 -10.289 -4.976 8.367 347 2HB GLN 49 2HB GLN 49 -9.473 -6.429 9.001 348 1HG GLN 49 1HG GLN 49 -7.352 -5.299 8.084 349 2HG GLN 49 2HG GLN 49 -8.373 -3.861 7.956 350 1HE2 GLN 49 21HE GLN 49 -8.997 -2.791 9.831 351 2HE2 GLN 49 22HE GLN 49 -8.314 -3.161 11.347 352 H ARG 50 H ARG 50 -11.896 -6.093 5.995 353 HA ARG 50 HA ARG 50 -12.669 -8.719 6.686 354 1HB ARG 50 1HB ARG 50 -13.882 -6.733 4.801 355 2HB ARG 50 2HB ARG 50 -14.540 -8.352 4.988 356 1HG ARG 50 1HG ARG 50 -14.169 -6.364 7.192 357 2HG ARG 50 2HG ARG 50 -15.717 -6.685 6.384 358 1HD ARG 50 1HD ARG 50 -14.075 -8.575 8.105 359 2HD ARG 50 2HD ARG 50 -15.648 -7.892 8.471 360 HE ARG 50 HE ARG 50 -16.120 -9.211 6.191 361 1HH1 ARG 50 11HH ARG 50 -14.603 -10.244 9.245 362 2HH1 ARG 50 12HH ARG 50 -15.143 -11.851 9.124 363 1HH2 ARG 50 21HH ARG 50 -16.861 -11.466 6.056 364 2HH2 ARG 50 22HH ARG 50 -16.418 -12.545 7.293 365 H ASP 51 H ASP 51 -11.004 -7.364 3.981 366 HA ASP 51 HA ASP 51 -11.107 -9.699 2.370 367 1HB ASP 51 1HB ASP 51 -10.445 -7.647 1.315 368 2HB ASP 51 2HB ASP 51 -9.199 -7.363 2.519 369 H GLY 52 H GLY 52 -8.386 -8.353 4.251 370 1HA GLY 52 1HA GLY 52 -7.188 -9.414 5.951 371 2HA GLY 52 2HA GLY 52 -8.030 -10.909 5.595 372 H ARG 53 H ARG 53 -7.052 -9.915 2.664 373 HA ARG 53 HA ARG 53 -4.740 -11.645 2.728 374 1HB ARG 53 1HB ARG 53 -6.646 -11.625 0.941 375 2HB ARG 53 2HB ARG 53 -5.909 -10.153 0.356 376 1HG ARG 53 1HG ARG 53 -4.416 -12.751 0.535 377 2HG ARG 53 2HG ARG 53 -5.380 -12.309 -0.861 378 1HD ARG 53 1HD ARG 53 -3.983 -10.339 -1.213 379 2HD ARG 53 2HD ARG 53 -3.038 -10.750 0.222 380 HE ARG 53 HE ARG 53 -2.225 -12.678 -0.889 381 1HH1 ARG 53 11HH ARG 53 -3.959 -10.469 -3.092 382 2HH1 ARG 53 12HH ARG 53 -3.225 -11.106 -4.490 383 1HH2 ARG 53 21HH ARG 53 -1.258 -13.519 -2.844 384 2HH2 ARG 53 22HH ARG 53 -1.695 -12.854 -4.347 385 H ILE 54 H ILE 54 -5.747 -8.348 2.327 386 HA ILE 54 HA ILE 54 -2.994 -7.371 2.363 387 HB ILE 54 HB ILE 54 -4.773 -6.194 0.957 388 1HG1 ILE 54 11HG ILE 54 -3.583 -4.507 3.178 389 2HG1 ILE 54 12HG ILE 54 -2.718 -5.027 1.737 390 1HG2 ILE 54 21HG ILE 54 -6.398 -4.728 2.175 391 2HG2 ILE 54 22HG ILE 54 -5.856 -5.503 3.683 392 3HG2 ILE 54 23HG ILE 54 -6.679 -6.456 2.455 393 1HD1 ILE 54 11HD ILE 54 -5.120 -3.211 1.803 394 2HD1 ILE 54 12HD ILE 54 -4.245 -3.729 0.355 395 3HD1 ILE 54 13HD ILE 54 -3.439 -2.725 1.552 396 H GLN 55 H GLN 55 -2.144 -6.342 4.239 397 HA GLN 55 HA GLN 55 -3.904 -6.272 6.530 398 1HB GLN 55 1HB GLN 55 -1.265 -7.747 6.405 399 2HB GLN 55 2HB GLN 55 -2.012 -7.301 7.932 400 1HG GLN 55 1HG GLN 55 -3.836 -8.726 7.598 401 2HG GLN 55 2HG GLN 55 -3.511 -8.881 5.878 402 1HE2 GLN 55 21HE GLN 55 -3.577 -11.072 6.005 403 2HE2 GLN 55 22HE GLN 55 -2.332 -12.039 6.695 404 H VAL 56 H VAL 56 -2.406 -5.292 8.528 405 HA VAL 56 HA VAL 56 -1.667 -2.658 7.544 406 HB VAL 56 HB VAL 56 -3.059 -3.114 9.652 407 1HG1 VAL 56 11HG VAL 56 -1.796 -4.734 10.797 408 2HG1 VAL 56 12HG VAL 56 -1.827 -3.274 11.782 409 3HG1 VAL 56 13HG VAL 56 -0.385 -3.679 10.852 410 1HG2 VAL 56 21HG VAL 56 -2.312 -0.855 9.116 411 2HG2 VAL 56 22HG VAL 56 -0.752 -1.181 9.860 412 3HG2 VAL 56 23HG VAL 56 -2.207 -1.134 10.847 413 H ASN 57 H ASN 57 -0.054 -5.499 8.255 414 HA ASN 57 HA ASN 57 2.398 -4.176 9.095 415 1HB ASN 57 1HB ASN 57 3.237 -6.308 9.718 416 2HB ASN 57 2HB ASN 57 1.515 -6.339 10.106 417 1HD2 ASN 57 21HD ASN 57 0.155 -7.710 8.935 418 2HD2 ASN 57 22HD ASN 57 0.732 -8.916 7.873 419 H ASP 58 H ASP 58 0.971 -4.414 6.401 420 HA ASP 58 HA ASP 58 2.958 -5.561 4.647 421 1HB ASP 58 1HB ASP 58 0.320 -4.197 4.060 422 2HB ASP 58 2HB ASP 58 1.348 -4.986 2.877 423 H GLN 59 H GLN 59 2.976 -4.112 2.520 424 HA GLN 59 HA GLN 59 3.684 -1.385 3.170 425 1HB GLN 59 1HB GLN 59 5.768 -2.533 3.432 426 2HB GLN 59 2HB GLN 59 5.486 -3.481 1.980 427 1HG GLN 59 1HG GLN 59 5.794 -1.586 0.598 428 2HG GLN 59 2HG GLN 59 5.853 -0.510 1.993 429 1HE2 GLN 59 21HE GLN 59 7.673 -0.422 3.202 430 2HE2 GLN 59 22HE GLN 59 9.184 -1.073 2.664 431 H ILE 60 H ILE 60 3.004 -0.047 1.574 432 HA ILE 60 HA ILE 60 1.531 -1.188 -0.624 433 HB ILE 60 HB ILE 60 2.209 1.730 -0.134 434 1HG1 ILE 60 11HG ILE 60 0.917 0.933 1.795 435 2HG1 ILE 60 12HG ILE 60 -0.064 1.960 0.744 436 1HG2 ILE 60 21HG ILE 60 0.363 2.203 -1.638 437 2HG2 ILE 60 22HG ILE 60 0.037 0.476 -1.766 438 3HG2 ILE 60 23HG ILE 60 1.538 1.125 -2.416 439 1HD1 ILE 60 11HD ILE 60 -1.344 0.075 1.573 440 2HD1 ILE 60 12HD ILE 60 -0.175 -1.037 0.869 441 3HD1 ILE 60 13HD ILE 60 -1.155 -0.009 -0.181 442 H VAL 61 H VAL 61 2.785 -1.986 -2.236 443 HA VAL 61 HA VAL 61 5.349 -0.768 -2.833 444 HB VAL 61 HB VAL 61 3.929 -3.170 -4.025 445 1HG1 VAL 61 11HG VAL 61 6.786 -2.326 -4.436 446 2HG1 VAL 61 12HG VAL 61 5.478 -2.296 -5.640 447 3HG1 VAL 61 13HG VAL 61 6.021 -3.834 -4.961 448 1HG2 VAL 61 21HG VAL 61 6.166 -3.034 -2.023 449 2HG2 VAL 61 22HG VAL 61 5.500 -4.506 -2.735 450 3HG2 VAL 61 23HG VAL 61 4.493 -3.492 -1.708 451 H GLU 62 H GLU 62 2.334 -1.445 -4.491 452 HA GLU 62 HA GLU 62 2.607 0.983 -6.048 453 1HB GLU 62 1HB GLU 62 3.682 -0.600 -7.454 454 2HB GLU 62 2HB GLU 62 2.423 -1.788 -7.239 455 1HG GLU 62 1HG GLU 62 0.856 -0.154 -8.335 456 2HG GLU 62 2HG GLU 62 2.286 0.818 -8.680 457 H VAL 63 H VAL 63 0.606 1.886 -6.224 458 HA VAL 63 HA VAL 63 -1.674 0.108 -5.982 459 HB VAL 63 HB VAL 63 -1.213 2.764 -4.629 460 1HG1 VAL 63 11HG VAL 63 -3.944 1.717 -5.440 461 2HG1 VAL 63 12HG VAL 63 -3.166 3.183 -6.060 462 3HG1 VAL 63 13HG VAL 63 -3.637 3.081 -4.354 463 1HG2 VAL 63 21HG VAL 63 -2.715 0.271 -3.903 464 2HG2 VAL 63 22HG VAL 63 -2.373 1.628 -2.834 465 3HG2 VAL 63 23HG VAL 63 -1.051 0.623 -3.461 466 H ASP 64 H ASP 64 -2.986 0.069 -7.559 467 HA ASP 64 HA ASP 64 -4.147 0.501 -9.397 468 1HB ASP 64 1HB ASP 64 -4.749 2.673 -8.421 469 2HB ASP 64 2HB ASP 64 -3.286 3.387 -9.086 470 H GLY 65 H GLY 65 -1.014 0.817 -9.294 471 1HA GLY 65 1HA GLY 65 0.485 0.147 -11.058 472 2HA GLY 65 2HA GLY 65 -0.723 0.738 -12.203 473 H ILE 66 H ILE 66 -0.286 2.786 -9.558 474 HA ILE 66 HA ILE 66 0.785 4.891 -11.159 475 HB ILE 66 HB ILE 66 -0.795 5.008 -9.003 476 1HG1 ILE 66 11HG ILE 66 1.492 6.954 -9.355 477 2HG1 ILE 66 12HG ILE 66 0.055 6.912 -10.377 478 1HG2 ILE 66 21HG ILE 66 0.694 3.861 -7.491 479 2HG2 ILE 66 22HG ILE 66 0.430 5.528 -6.955 480 3HG2 ILE 66 23HG ILE 66 1.937 5.081 -7.760 481 1HD1 ILE 66 11HD ILE 66 -0.084 8.650 -8.681 482 2HD1 ILE 66 12HD ILE 66 0.117 7.414 -7.436 483 3HD1 ILE 66 13HD ILE 66 -1.327 7.412 -8.450 484 H SER 67 H SER 67 2.091 2.416 -9.393 485 HA SER 67 HA SER 67 4.041 1.874 -8.403 486 1HB SER 67 1HB SER 67 6.061 2.140 -9.887 487 2HB SER 67 2HB SER 67 4.665 1.432 -10.692 488 HG SER 67 HG SER 67 4.495 4.054 -10.997 489 H LEU 68 H LEU 68 4.076 2.897 -6.556 490 HA LEU 68 HA LEU 68 5.194 5.585 -6.455 491 1HB LEU 68 1HB LEU 68 4.274 5.608 -4.178 492 2HB LEU 68 2HB LEU 68 3.057 5.308 -5.400 493 HG LEU 68 HG LEU 68 3.937 2.803 -4.602 494 1HD1 LEU 68 11HD LEU 68 4.999 3.764 -2.697 495 2HD1 LEU 68 12HD LEU 68 3.606 2.799 -2.195 496 3HD1 LEU 68 13HD LEU 68 3.507 4.569 -2.209 497 1HD2 LEU 68 21HD LEU 68 1.476 4.353 -3.860 498 2HD2 LEU 68 22HD LEU 68 1.673 2.586 -3.780 499 3HD2 LEU 68 23HD LEU 68 1.767 3.422 -5.332 500 H VAL 69 H VAL 69 6.440 2.957 -6.761 501 HA VAL 69 HA VAL 69 8.116 2.273 -4.653 502 HB VAL 69 HB VAL 69 8.854 2.157 -7.591 503 1HG1 VAL 69 11HG VAL 69 9.955 0.602 -5.246 504 2HG1 VAL 69 12HG VAL 69 10.799 1.838 -6.180 505 3HG1 VAL 69 13HG VAL 69 10.348 0.314 -6.941 506 1HG2 VAL 69 21HG VAL 69 6.742 1.008 -7.183 507 2HG2 VAL 69 22HG VAL 69 7.474 0.090 -5.869 508 3HG2 VAL 69 23HG VAL 69 8.021 -0.157 -7.528 509 H GLY 70 H GLY 70 8.835 4.061 -3.602 510 1HA GLY 70 1HA GLY 70 11.030 5.023 -3.160 511 2HA GLY 70 2HA GLY 70 11.131 5.402 -4.874 512 H VAL 71 H VAL 71 8.187 5.907 -3.081 513 HA VAL 71 HA VAL 71 8.621 8.801 -3.458 514 HB VAL 71 HB VAL 71 6.225 9.167 -3.429 515 1HG1 VAL 71 11HG VAL 71 7.194 8.618 -5.564 516 2HG1 VAL 71 12HG VAL 71 5.556 7.972 -5.441 517 3HG1 VAL 71 13HG VAL 71 6.942 6.898 -5.261 518 1HG2 VAL 71 21HG VAL 71 4.617 7.340 -3.227 519 2HG2 VAL 71 22HG VAL 71 5.617 7.460 -1.782 520 3HG2 VAL 71 23HG VAL 71 5.936 6.194 -2.968 521 H THR 72 H THR 72 7.169 10.130 -1.890 522 HA THR 72 HA THR 72 8.035 9.512 0.819 523 HB THR 72 HB THR 72 7.100 11.857 1.146 524 HG1 THR 72 HG1 THR 72 7.384 12.258 -1.599 525 1HG2 THR 72 21HG THR 72 9.092 12.918 0.165 526 2HG2 THR 72 22HG THR 72 9.398 11.453 -0.780 527 3HG2 THR 72 23HG THR 72 9.475 11.405 0.986 528 H GLN 73 H GLN 73 6.469 10.255 2.503 529 HA GLN 73 HA GLN 73 4.199 8.600 2.275 530 1HB GLN 73 1HB GLN 73 3.869 8.857 4.532 531 2HB GLN 73 2HB GLN 73 5.493 9.492 4.465 532 1HG GLN 73 1HG GLN 73 2.983 11.167 4.443 533 2HG GLN 73 2HG GLN 73 3.925 10.812 5.881 534 1HE2 GLN 73 21HE GLN 73 6.475 11.058 4.457 535 2HE2 GLN 73 22HE GLN 73 6.658 12.742 4.200 536 H ASN 74 H ASN 74 4.667 11.974 1.659 537 HA ASN 74 HA ASN 74 1.875 12.584 1.717 538 1HB ASN 74 1HB ASN 74 2.429 14.787 0.866 539 2HB ASN 74 2HB ASN 74 3.591 14.364 2.115 540 1HD2 ASN 74 21HD ASN 74 5.781 14.231 1.550 541 2HD2 ASN 74 22HD ASN 74 6.320 14.559 -0.042 542 H PHE 75 H PHE 75 4.055 11.368 -0.704 543 HA PHE 75 HA PHE 75 2.256 11.848 -2.881 544 1HB PHE 75 1HB PHE 75 4.724 11.392 -3.195 545 2HB PHE 75 2HB PHE 75 4.404 9.736 -2.687 546 HD1 PHE 75 HD1 PHE 75 4.204 12.110 -5.395 547 HD2 PHE 75 HD2 PHE 75 2.980 8.207 -4.161 548 HE1 PHE 75 HE1 PHE 75 3.656 11.532 -7.718 549 HE2 PHE 75 HE2 PHE 75 2.433 7.645 -6.489 550 HZ PHE 75 HZ PHE 75 2.774 9.301 -8.262 551 H ALA 76 H ALA 76 3.196 9.077 -0.948 552 HA ALA 76 HA ALA 76 1.464 7.213 -2.049 553 1HB ALA 76 1HB ALA 76 3.365 6.644 -0.649 554 2HB ALA 76 2HB ALA 76 1.878 5.869 -0.096 555 3HB ALA 76 3HB ALA 76 2.516 7.278 0.763 556 H ALA 77 H ALA 77 0.966 9.232 0.856 557 HA ALA 77 HA ALA 77 -1.533 8.254 1.584 558 1HB ALA 77 1HB ALA 77 -0.221 9.775 2.997 559 2HB ALA 77 2HB ALA 77 -1.864 10.379 2.762 560 3HB ALA 77 3HB ALA 77 -0.528 11.086 1.860 561 H THR 78 H THR 78 -0.658 10.644 -0.809 562 HA THR 78 HA THR 78 -3.249 11.541 -1.443 563 HB THR 78 HB THR 78 -0.700 11.478 -3.039 564 HG1 THR 78 HG1 THR 78 -0.281 12.905 -1.563 565 1HG2 THR 78 21HG THR 78 -1.728 13.233 -4.464 566 2HG2 THR 78 22HG THR 78 -3.263 12.988 -3.612 567 3HG2 THR 78 23HG THR 78 -2.552 11.679 -4.558 568 H VAL 79 H VAL 79 -1.199 8.989 -2.841 569 HA VAL 79 HA VAL 79 -2.954 8.207 -4.898 570 HB VAL 79 HB VAL 79 -1.084 6.333 -3.412 571 1HG1 VAL 79 11HG VAL 79 -2.731 5.280 -4.877 572 2HG1 VAL 79 12HG VAL 79 -1.092 5.052 -5.473 573 3HG1 VAL 79 13HG VAL 79 -2.157 6.241 -6.230 574 1HG2 VAL 79 21HG VAL 79 -0.547 8.195 -5.709 575 2HG2 VAL 79 22HG VAL 79 0.545 6.913 -5.176 576 3HG2 VAL 79 23HG VAL 79 0.175 8.262 -4.101 577 H LEU 80 H LEU 80 -2.482 6.887 -1.650 578 HA LEU 80 HA LEU 80 -4.592 5.030 -1.813 579 1HB LEU 80 1HB LEU 80 -3.148 6.200 0.566 580 2HB LEU 80 2HB LEU 80 -4.467 5.074 0.766 581 HG LEU 80 HG LEU 80 -2.449 3.859 1.044 582 1HD1 LEU 80 11HD LEU 80 -2.528 2.172 -0.656 583 2HD1 LEU 80 12HD LEU 80 -3.438 3.253 -1.708 584 3HD1 LEU 80 13HD LEU 80 -4.150 2.695 -0.193 585 1HD2 LEU 80 21HD LEU 80 -0.668 3.709 -0.606 586 2HD2 LEU 80 22HD LEU 80 -0.877 5.369 -0.048 587 3HD2 LEU 80 23HD LEU 80 -1.500 4.884 -1.623 588 H ARG 81 H ARG 81 -4.625 8.386 -1.279 589 HA ARG 81 HA ARG 81 -7.303 8.430 -0.182 590 1HB ARG 81 1HB ARG 81 -5.772 10.091 0.637 591 2HB ARG 81 2HB ARG 81 -5.335 10.582 -0.980 592 1HG ARG 81 1HG ARG 81 -8.135 10.982 -0.012 593 2HG ARG 81 2HG ARG 81 -6.864 12.088 0.502 594 1HD ARG 81 1HD ARG 81 -6.345 12.560 -1.840 595 2HD ARG 81 2HD ARG 81 -7.601 11.440 -2.348 596 HE ARG 81 HE ARG 81 -8.274 13.730 -0.658 597 1HH1 ARG 81 11HH ARG 81 -8.699 11.968 -3.711 598 2HH1 ARG 81 12HH ARG 81 -9.941 12.974 -4.273 599 1HH2 ARG 81 21HH ARG 81 -10.012 15.103 -1.444 600 2HH2 ARG 81 22HH ARG 81 -10.712 14.785 -2.960 601 H ASN 82 H ASN 82 -5.817 8.563 -3.282 602 HA ASN 82 HA ASN 82 -8.156 9.711 -4.538 603 1HB ASN 82 1HB ASN 82 -5.420 9.115 -5.466 604 2HB ASN 82 2HB ASN 82 -6.696 9.136 -6.682 605 1HD2 ASN 82 21HD ASN 82 -4.983 10.975 -4.311 606 2HD2 ASN 82 22HD ASN 82 -5.503 12.524 -4.901 607 H THR 83 H THR 83 -7.498 6.817 -3.468 608 HA THR 83 HA THR 83 -8.264 5.122 -5.596 609 HB THR 83 HB THR 83 -8.589 3.462 -3.742 610 HG1 THR 83 HG1 THR 83 -7.397 4.997 -1.834 611 1HG2 THR 83 21HG THR 83 -6.390 3.760 -4.849 612 2HG2 THR 83 22HG THR 83 -6.193 3.356 -3.152 613 3HG2 THR 83 23HG THR 83 -5.989 5.022 -3.690 614 H LYS 84 H LYS 84 -10.173 3.516 -4.871 615 HA LYS 84 HA LYS 84 -12.512 4.629 -3.863 616 1HB LYS 84 1HB LYS 84 -13.729 4.174 -6.176 617 2HB LYS 84 2HB LYS 84 -12.993 5.732 -5.868 618 1HG LYS 84 1HG LYS 84 -12.498 5.095 -8.111 619 2HG LYS 84 2HG LYS 84 -11.015 4.989 -7.176 620 1HD LYS 84 1HD LYS 84 -11.307 2.545 -7.043 621 2HD LYS 84 2HD LYS 84 -12.776 2.684 -8.018 622 1HE LYS 84 1HE LYS 84 -11.426 3.738 -9.815 623 2HE LYS 84 2HE LYS 84 -9.983 3.464 -8.844 624 1HZ LYS 84 1HZ LYS 84 -10.446 1.062 -8.975 625 2HZ LYS 84 2HZ LYS 84 -10.195 1.765 -10.481 626 3HZ LYS 84 3HZ LYS 84 -11.756 1.386 -10.002 627 H GLY 85 H GLY 85 -14.281 2.767 -5.025 628 1HA GLY 85 1HA GLY 85 -14.134 0.544 -3.582 629 2HA GLY 85 2HA GLY 85 -14.834 0.561 -5.186 630 H ASN 86 H ASN 86 -13.314 0.028 -6.985 631 HA ASN 86 HA ASN 86 -11.749 -2.251 -6.115 632 1HB ASN 86 1HB ASN 86 -12.272 -1.264 -8.916 633 2HB ASN 86 2HB ASN 86 -11.369 -2.725 -8.538 634 1HD2 ASN 86 21HD ASN 86 -12.513 -4.499 -7.603 635 2HD2 ASN 86 22HD ASN 86 -14.238 -4.588 -7.736 636 H VAL 87 H VAL 87 -9.790 -2.129 -5.512 637 HA VAL 87 HA VAL 87 -7.981 -0.127 -6.758 638 HB VAL 87 HB VAL 87 -7.413 -1.266 -4.106 639 1HG1 VAL 87 11HG VAL 87 -6.324 0.877 -3.713 640 2HG1 VAL 87 12HG VAL 87 -6.826 1.400 -5.323 641 3HG1 VAL 87 13HG VAL 87 -5.729 0.030 -5.143 642 1HG2 VAL 87 21HG VAL 87 -9.339 1.021 -4.455 643 2HG2 VAL 87 22HG VAL 87 -8.613 0.478 -2.927 644 3HG2 VAL 87 23HG VAL 87 -9.674 -0.598 -3.834 645 H ARG 88 H ARG 88 -6.100 -0.950 -7.487 646 HA ARG 88 HA ARG 88 -5.489 -3.729 -6.851 647 1HB ARG 88 1HB ARG 88 -4.689 -1.911 -9.058 648 2HB ARG 88 2HB ARG 88 -3.640 -3.253 -8.622 649 1HG ARG 88 1HG ARG 88 -5.408 -4.819 -8.987 650 2HG ARG 88 2HG ARG 88 -6.545 -3.511 -9.307 651 1HD ARG 88 1HD ARG 88 -5.643 -4.661 -11.301 652 2HD ARG 88 2HD ARG 88 -5.444 -2.905 -11.267 653 HE ARG 88 HE ARG 88 -3.116 -3.246 -10.757 654 1HH1 ARG 88 11HH ARG 88 -4.729 -6.276 -11.639 655 2HH1 ARG 88 12HH ARG 88 -3.375 -6.944 -12.407 656 1HH2 ARG 88 21HH ARG 88 -1.227 -4.170 -11.815 657 2HH2 ARG 88 22HH ARG 88 -1.336 -5.718 -12.507 658 H PHE 89 H PHE 89 -4.575 -3.782 -4.955 659 HA PHE 89 HA PHE 89 -2.371 -1.971 -4.343 660 1HB PHE 89 1HB PHE 89 -3.596 -4.208 -2.712 661 2HB PHE 89 2HB PHE 89 -2.343 -3.115 -2.164 662 HD1 PHE 89 HD1 PHE 89 -2.861 -0.783 -1.743 663 HD2 PHE 89 HD2 PHE 89 -5.862 -3.604 -2.738 664 HE1 PHE 89 HE1 PHE 89 -4.559 0.746 -0.880 665 HE2 PHE 89 HE2 PHE 89 -7.586 -2.067 -1.873 666 HZ PHE 89 HZ PHE 89 -6.921 0.110 -0.934 667 H VAL 90 H VAL 90 -0.549 -2.623 -5.384 668 HA VAL 90 HA VAL 90 -0.113 -5.483 -5.521 669 HB VAL 90 HB VAL 90 1.499 -3.267 -6.784 670 1HG1 VAL 90 11HG VAL 90 2.447 -5.057 -8.204 671 2HG1 VAL 90 12HG VAL 90 1.526 -6.247 -7.286 672 3HG1 VAL 90 13HG VAL 90 2.789 -5.308 -6.493 673 1HG2 VAL 90 21HG VAL 90 -0.620 -5.003 -8.047 674 2HG2 VAL 90 22HG VAL 90 0.410 -3.857 -8.908 675 3HG2 VAL 90 23HG VAL 90 -0.748 -3.278 -7.710 676 H ILE 91 H ILE 91 0.249 -5.669 -3.433 677 HA ILE 91 HA ILE 91 2.551 -4.411 -2.158 678 HB ILE 91 HB ILE 91 0.089 -5.883 -1.218 679 1HG1 ILE 91 11HG ILE 91 1.057 -3.106 -0.666 680 2HG1 ILE 91 12HG ILE 91 -0.114 -3.510 -1.913 681 1HG2 ILE 91 21HG ILE 91 1.927 -6.584 0.248 682 2HG2 ILE 91 22HG ILE 91 0.734 -5.597 1.075 683 3HG2 ILE 91 23HG ILE 91 2.284 -4.888 0.601 684 1HD1 ILE 91 11HD ILE 91 -0.422 -3.896 1.031 685 2HD1 ILE 91 12HD ILE 91 -1.575 -4.366 -0.241 686 3HD1 ILE 91 13HD ILE 91 -1.176 -2.653 0.010 687 H GLY 92 H GLY 92 3.938 -5.909 -0.888 688 1HA GLY 92 1HA GLY 92 3.862 -8.570 -2.035 689 2HA GLY 92 2HA GLY 92 5.404 -7.756 -1.776 690 H ARG 93 H ARG 93 4.668 -10.210 -0.659 691 HA ARG 93 HA ARG 93 4.013 -9.625 2.130 692 1HB ARG 93 1HB ARG 93 2.754 -11.394 1.098 693 2HB ARG 93 2HB ARG 93 4.226 -12.269 0.687 694 1HG ARG 93 1HG ARG 93 3.078 -13.287 2.567 695 2HG ARG 93 2HG ARG 93 4.625 -12.627 3.091 696 1HD ARG 93 1HD ARG 93 2.764 -12.177 4.673 697 2HD ARG 93 2HD ARG 93 3.547 -10.723 4.058 698 HE ARG 93 HE ARG 93 1.165 -11.604 2.665 699 1HH1 ARG 93 11HH ARG 93 2.431 -9.612 5.281 700 2HH1 ARG 93 12HH ARG 93 1.249 -8.366 5.094 701 1HH2 ARG 93 21HH ARG 93 -0.516 -9.843 2.457 702 2HH2 ARG 93 22HH ARG 93 -0.362 -8.474 3.454 703 H GLU 94 H GLU 94 5.514 -9.362 3.567 704 HA GLU 94 HA GLU 94 7.888 -11.051 3.514 705 1HB GLU 94 1HB GLU 94 7.728 -8.148 4.369 706 2HB GLU 94 2HB GLU 94 9.104 -9.200 4.625 707 1HG GLU 94 1HG GLU 94 9.339 -9.414 2.176 708 2HG GLU 94 2HG GLU 94 8.012 -8.264 1.998 Start of MODEL 19 1 1H GLY 1 1H GLY 1 16.681 -12.017 1.584 2 2H GLY 1 2H GLY 1 15.332 -12.905 2.063 3 3H GLY 1 3H GLY 1 16.209 -12.000 3.184 4 1HA GLY 1 1HA GLY 1 14.156 -10.883 2.560 5 2HA GLY 1 2HA GLY 1 15.604 -9.958 2.178 6 H HIS 2 H HIS 2 13.520 -12.452 0.705 7 HA HIS 2 HA HIS 2 13.783 -11.064 -1.857 8 1HB HIS 2 1HB HIS 2 12.767 -13.861 -1.188 9 2HB HIS 2 2HB HIS 2 12.723 -13.152 -2.792 10 HD1 HIS 2 HD1 HIS 2 14.691 -13.825 -4.260 11 HD2 HIS 2 HD2 HIS 2 15.558 -14.067 -0.192 12 HE1 HIS 2 HE1 HIS 2 16.997 -14.774 -4.090 13 H MET 3 H MET 3 11.897 -10.216 -2.751 14 HA MET 3 HA MET 3 9.614 -10.356 -0.924 15 1HB MET 3 1HB MET 3 10.877 -8.162 -0.988 16 2HB MET 3 2HB MET 3 10.358 -8.001 -2.658 17 1HG MET 3 1HG MET 3 8.070 -7.921 -2.001 18 2HG MET 3 2HG MET 3 8.481 -8.242 -0.310 19 1HE MET 3 1HE MET 3 7.453 -4.569 0.170 20 2HE MET 3 2HE MET 3 7.450 -6.198 0.848 21 3HE MET 3 3HE MET 3 6.627 -5.877 -0.678 22 H GLU 4 H GLU 4 8.012 -11.377 -1.800 23 HA GLU 4 HA GLU 4 7.795 -11.605 -4.704 24 1HB GLU 4 1HB GLU 4 7.517 -13.617 -3.284 25 2HB GLU 4 2HB GLU 4 6.149 -12.848 -2.493 26 1HG GLU 4 1HG GLU 4 4.956 -12.789 -4.614 27 2HG GLU 4 2HG GLU 4 6.312 -13.576 -5.407 28 H LEU 5 H LEU 5 6.834 -9.937 -5.651 29 HA LEU 5 HA LEU 5 4.908 -8.351 -4.199 30 1HB LEU 5 1HB LEU 5 5.885 -8.048 -7.031 31 2HB LEU 5 2HB LEU 5 4.898 -6.900 -6.161 32 HG LEU 5 HG LEU 5 6.991 -5.959 -6.131 33 1HD1 LEU 5 11HD LEU 5 7.775 -5.962 -3.868 34 2HD1 LEU 5 12HD LEU 5 6.845 -7.431 -3.566 35 3HD1 LEU 5 13HD LEU 5 6.006 -5.931 -3.964 36 1HD2 LEU 5 21HD LEU 5 9.075 -7.114 -5.602 37 2HD2 LEU 5 22HD LEU 5 8.275 -7.818 -7.008 38 3HD2 LEU 5 23HD LEU 5 8.192 -8.630 -5.443 39 H PHE 6 H PHE 6 2.805 -8.628 -4.290 40 HA PHE 6 HA PHE 6 1.726 -9.889 -6.640 41 1HB PHE 6 1HB PHE 6 0.097 -11.032 -5.030 42 2HB PHE 6 2HB PHE 6 1.673 -11.785 -5.268 43 HD1 PHE 6 HD1 PHE 6 3.146 -11.956 -3.406 44 HD2 PHE 6 HD2 PHE 6 -0.520 -9.845 -3.070 45 HE1 PHE 6 HE1 PHE 6 3.395 -11.953 -0.999 46 HE2 PHE 6 HE2 PHE 6 -0.284 -9.810 -0.593 47 HZ PHE 6 HZ PHE 6 1.684 -10.873 0.439 48 HA PRO 7 HA PRO 7 -1.199 -6.665 -6.247 49 1HB PRO 7 1HB PRO 7 -3.018 -7.500 -7.961 50 2HB PRO 7 2HB PRO 7 -1.446 -6.909 -8.487 51 1HG PRO 7 1HG PRO 7 -2.398 -9.740 -8.219 52 2HG PRO 7 2HG PRO 7 -1.382 -9.028 -9.495 53 1HD PRO 7 1HD PRO 7 -0.470 -10.499 -7.340 54 2HD PRO 7 2HD PRO 7 0.507 -9.319 -8.249 55 H VAL 8 H VAL 8 -2.499 -6.421 -4.640 56 HA VAL 8 HA VAL 8 -4.436 -8.493 -4.056 57 HB VAL 8 HB VAL 8 -3.657 -6.076 -2.396 58 1HG1 VAL 8 11HG VAL 8 -4.859 -7.149 -0.558 59 2HG1 VAL 8 12HG VAL 8 -5.371 -8.431 -1.655 60 3HG1 VAL 8 13HG VAL 8 -5.913 -6.776 -1.923 61 1HG2 VAL 8 21HG VAL 8 -2.839 -8.957 -2.060 62 2HG2 VAL 8 22HG VAL 8 -2.484 -7.652 -0.917 63 3HG2 VAL 8 23HG VAL 8 -1.805 -7.614 -2.547 64 H GLU 9 H GLU 9 -6.108 -8.057 -5.446 65 HA GLU 9 HA GLU 9 -6.839 -5.293 -5.858 66 1HB GLU 9 1HB GLU 9 -6.689 -6.797 -7.816 67 2HB GLU 9 2HB GLU 9 -7.949 -7.803 -7.125 68 1HG GLU 9 1HG GLU 9 -9.574 -6.080 -7.384 69 2HG GLU 9 2HG GLU 9 -8.336 -4.911 -7.843 70 H LEU 10 H LEU 10 -7.967 -4.432 -4.344 71 HA LEU 10 HA LEU 10 -9.740 -6.090 -2.704 72 1HB LEU 10 1HB LEU 10 -7.809 -4.225 -2.148 73 2HB LEU 10 2HB LEU 10 -9.269 -3.266 -2.067 74 HG LEU 10 HG LEU 10 -8.759 -3.918 0.131 75 1HD1 LEU 10 11HD LEU 10 -11.116 -4.111 -0.368 76 2HD1 LEU 10 12HD LEU 10 -10.617 -5.284 0.850 77 3HD1 LEU 10 13HD LEU 10 -10.884 -5.799 -0.818 78 1HD2 LEU 10 21HD LEU 10 -7.166 -5.655 -0.351 79 2HD2 LEU 10 22HD LEU 10 -8.463 -6.732 -0.875 80 3HD2 LEU 10 23HD LEU 10 -8.361 -6.225 0.812 81 H GLU 11 H GLU 11 -11.957 -5.703 -2.829 82 HA GLU 11 HA GLU 11 -12.788 -3.371 -4.364 83 1HB GLU 11 1HB GLU 11 -13.816 -5.575 -5.001 84 2HB GLU 11 2HB GLU 11 -14.499 -5.684 -3.381 85 1HG GLU 11 1HG GLU 11 -15.786 -3.647 -3.780 86 2HG GLU 11 2HG GLU 11 -15.093 -3.521 -5.390 87 H LYS 12 H LYS 12 -12.845 -1.714 -3.153 88 HA LYS 12 HA LYS 12 -13.540 -1.977 -0.360 89 1HB LYS 12 1HB LYS 12 -11.983 0.127 -1.832 90 2HB LYS 12 2HB LYS 12 -12.588 0.399 -0.205 91 1HG LYS 12 1HG LYS 12 -10.829 -1.884 -1.005 92 2HG LYS 12 2HG LYS 12 -10.225 -0.362 -0.299 93 1HD LYS 12 1HD LYS 12 -12.405 -1.634 1.017 94 2HD LYS 12 2HD LYS 12 -10.927 -2.629 1.112 95 1HE LYS 12 1HE LYS 12 -11.087 -1.409 3.077 96 2HE LYS 12 2HE LYS 12 -9.943 -0.476 2.147 97 1HZ LYS 12 1HZ LYS 12 -11.791 1.070 1.518 98 2HZ LYS 12 2HZ LYS 12 -11.595 1.018 3.177 99 3HZ LYS 12 3HZ LYS 12 -12.856 0.188 2.471 100 H ASP 13 H ASP 13 -14.414 0.012 0.616 101 HA ASP 13 HA ASP 13 -17.092 0.411 0.051 102 1HB ASP 13 1HB ASP 13 -15.277 2.303 1.541 103 2HB ASP 13 2HB ASP 13 -16.969 1.962 1.850 104 H GLU 14 H GLU 14 -18.033 2.619 -0.429 105 HA GLU 14 HA GLU 14 -16.937 3.842 -2.720 106 1HB GLU 14 1HB GLU 14 -18.669 5.553 -2.457 107 2HB GLU 14 2HB GLU 14 -19.333 3.947 -2.222 108 1HG GLU 14 1HG GLU 14 -19.368 4.265 0.167 109 2HG GLU 14 2HG GLU 14 -18.565 5.825 0.000 110 H ASP 15 H ASP 15 -16.484 4.288 0.589 111 HA ASP 15 HA ASP 15 -15.447 6.870 0.852 112 1HB ASP 15 1HB ASP 15 -15.957 5.587 2.803 113 2HB ASP 15 2HB ASP 15 -14.877 4.297 2.314 114 H GLY 16 H GLY 16 -13.872 3.799 0.089 115 1HA GLY 16 1HA GLY 16 -12.057 4.003 -1.566 116 2HA GLY 16 2HA GLY 16 -11.446 5.314 -0.547 117 H LEU 17 H LEU 17 -9.937 4.720 0.842 118 HA LEU 17 HA LEU 17 -9.937 1.867 1.595 119 1HB LEU 17 1HB LEU 17 -7.666 3.759 2.030 120 2HB LEU 17 2HB LEU 17 -7.662 2.011 2.118 121 HG LEU 17 HG LEU 17 -7.875 3.749 -0.225 122 1HD1 LEU 17 11HD LEU 17 -5.805 2.550 -0.907 123 2HD1 LEU 17 12HD LEU 17 -5.848 1.717 0.649 124 3HD1 LEU 17 13HD LEU 17 -5.651 3.470 0.590 125 1HD2 LEU 17 21HD LEU 17 -7.846 1.631 -1.582 126 2HD2 LEU 17 22HD LEU 17 -9.352 1.987 -0.741 127 3HD2 LEU 17 23HD LEU 17 -8.261 0.763 -0.095 128 H GLY 18 H GLY 18 -9.403 5.099 2.861 129 1HA GLY 18 1HA GLY 18 -9.665 5.942 4.922 130 2HA GLY 18 2HA GLY 18 -10.602 4.503 5.338 131 H ILE 19 H ILE 19 -7.336 4.356 4.072 132 HA ILE 19 HA ILE 19 -6.550 3.357 6.716 133 HB ILE 19 HB ILE 19 -4.832 2.003 5.738 134 1HG1 ILE 19 11HG ILE 19 -5.563 3.177 3.049 135 2HG1 ILE 19 12HG ILE 19 -4.142 3.610 4.003 136 1HG2 ILE 19 21HG ILE 19 -6.135 0.499 4.305 137 2HG2 ILE 19 22HG ILE 19 -7.340 1.775 4.098 138 3HG2 ILE 19 23HG ILE 19 -7.077 1.077 5.686 139 1HD1 ILE 19 11HD ILE 19 -3.334 1.294 3.831 140 2HD1 ILE 19 12HD ILE 19 -3.516 2.057 2.259 141 3HD1 ILE 19 13HD ILE 19 -4.724 0.896 2.817 142 H SER 20 H SER 20 -4.072 3.577 7.026 143 HA SER 20 HA SER 20 -3.297 6.360 6.417 144 1HB SER 20 1HB SER 20 -2.942 4.845 9.007 145 2HB SER 20 2HB SER 20 -2.529 6.531 8.711 146 HG SER 20 HG SER 20 -4.576 6.206 9.802 147 H ILE 21 H ILE 21 -1.051 6.701 6.287 148 HA ILE 21 HA ILE 21 0.547 4.254 5.897 149 HB ILE 21 HB ILE 21 1.675 5.348 4.013 150 1HG1 ILE 21 11HG ILE 21 0.101 7.330 3.027 151 2HG1 ILE 21 12HG ILE 21 -0.093 7.601 4.736 152 1HG2 ILE 21 21HG ILE 21 -0.107 3.829 3.495 153 2HG2 ILE 21 22HG ILE 21 -0.089 5.153 2.329 154 3HG2 ILE 21 23HG ILE 21 -1.294 5.130 3.616 155 1HD1 ILE 21 11HD ILE 21 2.331 7.847 5.026 156 2HD1 ILE 21 12HD ILE 21 1.741 8.998 3.843 157 3HD1 ILE 21 13HD ILE 21 2.589 7.573 3.314 158 H ILE 22 H ILE 22 2.842 4.644 6.136 159 HA ILE 22 HA ILE 22 3.388 7.109 7.501 160 HB ILE 22 HB ILE 22 3.035 5.486 9.272 161 1HG1 ILE 22 11HG ILE 22 5.987 6.092 9.018 162 2HG1 ILE 22 12HG ILE 22 4.759 7.193 9.633 163 1HG2 ILE 22 21HG ILE 22 3.476 3.442 8.097 164 2HG2 ILE 22 22HG ILE 22 4.435 3.510 9.578 165 3HG2 ILE 22 23HG ILE 22 5.195 3.837 8.014 166 1HD1 ILE 22 11HD ILE 22 6.026 6.170 11.442 167 2HD1 ILE 22 12HD ILE 22 5.548 4.567 10.877 168 3HD1 ILE 22 13HD ILE 22 4.331 5.680 11.503 169 H GLY 23 H GLY 23 5.164 8.103 6.840 170 1HA GLY 23 1HA GLY 23 6.575 6.785 4.699 171 2HA GLY 23 2HA GLY 23 6.623 8.516 5.033 172 H MET 24 H MET 24 8.038 5.487 5.451 173 HA MET 24 HA MET 24 10.065 6.616 7.279 174 1HB MET 24 1HB MET 24 9.372 3.685 6.941 175 2HB MET 24 2HB MET 24 10.521 4.361 8.076 176 1HG MET 24 1HG MET 24 7.540 4.634 8.101 177 2HG MET 24 2HG MET 24 8.516 3.706 9.224 178 1HE MET 24 1HE MET 24 10.309 4.897 10.910 179 2HE MET 24 2HE MET 24 10.488 6.648 11.047 180 3HE MET 24 3HE MET 24 10.978 5.827 9.569 181 H GLY 25 H GLY 25 10.956 7.481 5.398 182 1HA GLY 25 1HA GLY 25 11.631 6.214 3.063 183 2HA GLY 25 2HA GLY 25 12.561 7.524 3.773 184 H VAL 26 H VAL 26 12.547 4.337 2.869 185 HA VAL 26 HA VAL 26 14.969 3.783 4.400 186 HB VAL 26 HB VAL 26 13.021 2.254 4.846 187 1HG1 VAL 26 11HG VAL 26 11.955 2.248 2.693 188 2HG1 VAL 26 12HG VAL 26 12.320 0.599 3.203 189 3HG1 VAL 26 13HG VAL 26 13.323 1.391 1.989 190 1HG2 VAL 26 21HG VAL 26 15.402 0.944 3.551 191 2HG2 VAL 26 22HG VAL 26 14.239 0.132 4.602 192 3HG2 VAL 26 23HG VAL 26 15.244 1.435 5.239 193 H GLY 27 H GLY 27 16.792 3.151 3.215 194 1HA GLY 27 1HA GLY 27 16.536 3.646 0.346 195 2HA GLY 27 2HA GLY 27 18.023 3.732 1.291 196 H ALA 28 H ALA 28 19.271 2.017 1.423 197 HA ALA 28 HA ALA 28 18.376 -0.454 0.090 198 1HB ALA 28 1HB ALA 28 21.082 0.466 0.904 199 2HB ALA 28 2HB ALA 28 20.405 0.673 -0.724 200 3HB ALA 28 3HB ALA 28 20.711 -0.956 -0.069 201 H ASP 29 H ASP 29 18.174 0.697 2.954 202 HA ASP 29 HA ASP 29 19.763 -0.684 4.745 203 1HB ASP 29 1HB ASP 29 16.958 0.269 5.203 204 2HB ASP 29 2HB ASP 29 18.251 -0.005 6.377 205 H ALA 30 H ALA 30 16.757 -1.609 3.205 206 HA ALA 30 HA ALA 30 16.616 -3.988 4.906 207 1HB ALA 30 1HB ALA 30 14.295 -4.163 4.195 208 2HB ALA 30 2HB ALA 30 14.529 -2.789 3.104 209 3HB ALA 30 3HB ALA 30 14.642 -2.555 4.843 210 H GLY 31 H GLY 31 17.972 -3.143 2.102 211 1HA GLY 31 1HA GLY 31 19.046 -4.538 0.620 212 2HA GLY 31 2HA GLY 31 18.082 -5.879 1.206 213 H LEU 32 H LEU 32 15.635 -4.079 0.601 214 HA LEU 32 HA LEU 32 15.377 -5.158 -2.063 215 1HB LEU 32 1HB LEU 32 13.384 -3.989 -0.173 216 2HB LEU 32 2HB LEU 32 12.982 -4.216 -1.860 217 HG LEU 32 HG LEU 32 12.099 -6.037 -0.624 218 1HD1 LEU 32 11HD LEU 32 14.526 -6.982 -2.122 219 2HD1 LEU 32 12HD LEU 32 12.953 -6.580 -2.809 220 3HD1 LEU 32 13HD LEU 32 13.111 -7.947 -1.710 221 1HD2 LEU 32 21HD LEU 32 14.880 -6.553 0.411 222 2HD2 LEU 32 22HD LEU 32 13.476 -7.588 0.677 223 3HD2 LEU 32 23HD LEU 32 13.512 -5.957 1.351 224 H GLU 33 H GLU 33 15.492 -2.015 -0.603 225 HA GLU 33 HA GLU 33 15.747 0.068 -1.398 226 1HB GLU 33 1HB GLU 33 16.512 -1.296 -3.969 227 2HB GLU 33 2HB GLU 33 16.762 0.413 -3.628 228 1HG GLU 33 1HG GLU 33 18.299 -0.165 -1.855 229 2HG GLU 33 2HG GLU 33 18.021 -1.889 -2.140 230 H LYS 34 H LYS 34 13.616 0.733 -1.215 231 HA LYS 34 HA LYS 34 12.405 1.479 -3.651 232 1HB LYS 34 1HB LYS 34 10.245 0.384 -3.320 233 2HB LYS 34 2HB LYS 34 11.538 -0.807 -3.385 234 1HG LYS 34 1HG LYS 34 11.377 -1.246 -1.030 235 2HG LYS 34 2HG LYS 34 10.378 0.175 -0.801 236 1HD LYS 34 1HD LYS 34 9.052 -1.880 -0.691 237 2HD LYS 34 2HD LYS 34 8.549 -0.829 -2.008 238 1HE LYS 34 1HE LYS 34 8.566 -3.141 -2.738 239 2HE LYS 34 2HE LYS 34 9.805 -2.200 -3.570 240 1HZ LYS 34 1HZ LYS 34 10.374 -3.935 -1.218 241 2HZ LYS 34 2HZ LYS 34 11.488 -3.211 -2.297 242 3HZ LYS 34 3HZ LYS 34 10.491 -4.433 -2.816 243 H LEU 35 H LEU 35 9.989 2.155 -2.635 244 HA LEU 35 HA LEU 35 10.328 4.490 -1.137 245 1HB LEU 35 1HB LEU 35 7.913 4.378 -0.788 246 2HB LEU 35 2HB LEU 35 8.328 4.034 -2.456 247 HG LEU 35 HG LEU 35 8.110 1.642 -0.759 248 1HD1 LEU 35 11HD LEU 35 5.721 3.369 -1.301 249 2HD1 LEU 35 12HD LEU 35 6.362 2.795 0.263 250 3HD1 LEU 35 13HD LEU 35 5.673 1.658 -0.872 251 1HD2 LEU 35 21HD LEU 35 6.860 2.398 -3.390 252 2HD2 LEU 35 22HD LEU 35 6.876 0.799 -2.648 253 3HD2 LEU 35 23HD LEU 35 8.382 1.522 -3.188 254 H GLY 36 H GLY 36 9.695 4.887 1.091 255 1HA GLY 36 1HA GLY 36 9.908 2.492 2.783 256 2HA GLY 36 2HA GLY 36 10.371 4.117 3.283 257 H ILE 37 H ILE 37 7.488 3.372 1.530 258 HA ILE 37 HA ILE 37 6.023 4.566 3.722 259 HB ILE 37 HB ILE 37 4.890 3.768 1.033 260 1HG1 ILE 37 11HG ILE 37 6.803 5.414 1.028 261 2HG1 ILE 37 12HG ILE 37 5.313 6.025 0.250 262 1HG2 ILE 37 21HG ILE 37 3.859 5.593 3.191 263 2HG2 ILE 37 22HG ILE 37 3.234 3.999 2.779 264 3HG2 ILE 37 23HG ILE 37 3.103 5.322 1.618 265 1HD1 ILE 37 11HD ILE 37 6.671 6.684 2.827 266 2HD1 ILE 37 12HD ILE 37 4.981 7.114 2.552 267 3HD1 ILE 37 13HD ILE 37 6.239 7.771 1.501 268 H PHE 38 H PHE 38 5.314 3.353 5.191 269 HA PHE 38 HA PHE 38 4.505 0.597 4.589 270 1HB PHE 38 1HB PHE 38 5.386 1.945 7.118 271 2HB PHE 38 2HB PHE 38 4.692 0.332 7.113 272 HD1 PHE 38 HD1 PHE 38 5.918 -1.537 6.225 273 HD2 PHE 38 HD2 PHE 38 7.593 2.364 6.208 274 HE1 PHE 38 HE1 PHE 38 8.106 -2.500 5.752 275 HE2 PHE 38 HE2 PHE 38 9.794 1.442 5.743 276 HZ PHE 38 HZ PHE 38 10.080 -1.018 5.505 277 H VAL 39 H VAL 39 2.633 -0.215 5.680 278 HA VAL 39 HA VAL 39 0.511 1.689 5.625 279 HB VAL 39 HB VAL 39 0.463 -1.173 6.648 280 1HG1 VAL 39 11HG VAL 39 -1.765 0.629 5.709 281 2HG1 VAL 39 12HG VAL 39 -1.449 0.149 7.372 282 3HG1 VAL 39 13HG VAL 39 -1.942 -1.060 6.182 283 1HG2 VAL 39 21HG VAL 39 -0.144 -0.139 3.877 284 2HG2 VAL 39 22HG VAL 39 -0.391 -1.796 4.440 285 3HG2 VAL 39 23HG VAL 39 1.241 -1.129 4.340 286 H LYS 40 H LYS 40 -0.073 2.879 7.257 287 HA LYS 40 HA LYS 40 1.300 2.557 9.779 288 1HB LYS 40 1HB LYS 40 1.251 4.761 8.850 289 2HB LYS 40 2HB LYS 40 -0.490 4.703 8.684 290 1HG LYS 40 1HG LYS 40 -0.800 4.705 10.992 291 2HG LYS 40 2HG LYS 40 0.949 4.627 11.314 292 1HD LYS 40 1HD LYS 40 1.171 6.833 10.272 293 2HD LYS 40 2HD LYS 40 -0.570 6.855 9.948 294 1HE LYS 40 1HE LYS 40 -0.955 6.546 12.344 295 2HE LYS 40 2HE LYS 40 0.764 6.701 12.624 296 1HZ LYS 40 1HZ LYS 40 -0.895 8.830 11.359 297 2HZ LYS 40 2HZ LYS 40 0.727 8.975 11.805 298 3HZ LYS 40 3HZ LYS 40 -0.463 8.807 12.973 299 H THR 41 H THR 41 -2.028 2.714 8.571 300 HA THR 41 HA THR 41 -2.849 1.102 10.793 301 HB THR 41 HB THR 41 -4.507 3.460 10.186 302 HG1 THR 41 HG1 THR 41 -2.193 3.340 11.899 303 1HG2 THR 41 21HG THR 41 -5.397 1.750 11.641 304 2HG2 THR 41 22HG THR 41 -5.155 3.234 12.567 305 3HG2 THR 41 23HG THR 41 -4.009 1.901 12.721 306 H VAL 42 H VAL 42 -5.207 0.401 10.225 307 HA VAL 42 HA VAL 42 -5.893 0.964 7.466 308 HB VAL 42 HB VAL 42 -6.126 -1.787 8.793 309 1HG1 VAL 42 11HG VAL 42 -7.910 -1.370 7.215 310 2HG1 VAL 42 12HG VAL 42 -6.778 -2.553 6.528 311 3HG1 VAL 42 13HG VAL 42 -6.735 -0.869 6.008 312 1HG2 VAL 42 21HG VAL 42 -4.302 -0.922 6.555 313 2HG2 VAL 42 22HG VAL 42 -4.465 -2.565 7.181 314 3HG2 VAL 42 23HG VAL 42 -3.797 -1.291 8.202 315 H THR 43 H THR 43 -8.199 0.940 7.177 316 HA THR 43 HA THR 43 -9.741 1.884 9.305 317 HB THR 43 HB THR 43 -10.236 2.330 6.900 318 HG1 THR 43 HG1 THR 43 -11.949 2.636 8.206 319 1HG2 THR 43 21HG THR 43 -11.234 0.621 5.514 320 2HG2 THR 43 22HG THR 43 -11.105 -0.535 6.853 321 3HG2 THR 43 23HG THR 43 -9.643 0.090 6.089 322 H GLU 44 H GLU 44 -11.540 0.827 10.305 323 HA GLU 44 HA GLU 44 -10.787 -1.348 11.775 324 1HB GLU 44 1HB GLU 44 -12.563 0.361 12.286 325 2HB GLU 44 2HB GLU 44 -13.659 -0.602 11.307 326 1HG GLU 44 1HG GLU 44 -13.919 -1.077 13.664 327 2HG GLU 44 2HG GLU 44 -13.335 -2.495 12.783 328 H GLY 45 H GLY 45 -13.386 -1.512 9.372 329 1HA GLY 45 1HA GLY 45 -12.443 -3.808 8.125 330 2HA GLY 45 2HA GLY 45 -13.413 -4.350 9.482 331 H GLY 46 H GLY 46 -13.749 -1.821 6.986 332 1HA GLY 46 1HA GLY 46 -16.483 -2.706 6.563 333 2HA GLY 46 2HA GLY 46 -15.684 -1.369 5.746 334 H ALA 47 H ALA 47 -13.393 -2.949 5.030 335 HA ALA 47 HA ALA 47 -14.256 -5.116 3.352 336 1HB ALA 47 1HB ALA 47 -15.066 -3.369 1.945 337 2HB ALA 47 2HB ALA 47 -13.556 -3.939 1.193 338 3HB ALA 47 3HB ALA 47 -13.585 -2.468 2.160 339 H ALA 48 H ALA 48 -11.588 -2.808 4.097 340 HA ALA 48 HA ALA 48 -9.524 -4.319 2.742 341 1HB ALA 48 1HB ALA 48 -9.138 -1.962 3.311 342 2HB ALA 48 2HB ALA 48 -7.918 -2.991 4.060 343 3HB ALA 48 3HB ALA 48 -9.248 -2.357 5.025 344 H GLN 49 H GLN 49 -10.065 -3.908 6.208 345 HA GLN 49 HA GLN 49 -8.590 -6.254 6.709 346 1HB GLN 49 1HB GLN 49 -10.091 -4.336 8.348 347 2HB GLN 49 2HB GLN 49 -9.440 -5.806 9.124 348 1HG GLN 49 1HG GLN 49 -7.208 -5.100 8.123 349 2HG GLN 49 2HG GLN 49 -8.017 -3.589 7.703 350 1HE2 GLN 49 21HE GLN 49 -9.569 -3.505 10.153 351 2HE2 GLN 49 22HE GLN 49 -8.498 -3.050 11.392 352 H ARG 50 H ARG 50 -11.434 -6.074 5.384 353 HA ARG 50 HA ARG 50 -12.491 -8.342 6.813 354 1HB ARG 50 1HB ARG 50 -13.652 -6.774 4.539 355 2HB ARG 50 2HB ARG 50 -14.388 -8.230 5.197 356 1HG ARG 50 1HG ARG 50 -13.784 -5.722 6.648 357 2HG ARG 50 2HG ARG 50 -15.419 -6.247 6.161 358 1HD ARG 50 1HD ARG 50 -13.547 -7.397 8.247 359 2HD ARG 50 2HD ARG 50 -15.131 -6.694 8.492 360 HE ARG 50 HE ARG 50 -15.483 -8.850 6.813 361 1HH1 ARG 50 11HH ARG 50 -14.408 -8.286 10.169 362 2HH1 ARG 50 12HH ARG 50 -14.858 -9.852 10.676 363 1HH2 ARG 50 21HH ARG 50 -16.056 -10.994 7.565 364 2HH2 ARG 50 22HH ARG 50 -15.818 -11.379 9.206 365 H ASP 51 H ASP 51 -10.904 -7.331 3.880 366 HA ASP 51 HA ASP 51 -11.062 -9.804 2.532 367 1HB ASP 51 1HB ASP 51 -10.290 -7.674 1.440 368 2HB ASP 51 2HB ASP 51 -8.847 -7.735 2.425 369 H GLY 52 H GLY 52 -8.875 -8.483 4.924 370 1HA GLY 52 1HA GLY 52 -7.936 -9.718 6.698 371 2HA GLY 52 2HA GLY 52 -8.322 -11.183 5.833 372 H ARG 53 H ARG 53 -7.070 -10.281 3.431 373 HA ARG 53 HA ARG 53 -4.532 -11.519 3.545 374 1HB ARG 53 1HB ARG 53 -6.212 -10.924 1.728 375 2HB ARG 53 2HB ARG 53 -5.270 -9.451 1.623 376 1HG ARG 53 1HG ARG 53 -3.264 -10.937 1.379 377 2HG ARG 53 2HG ARG 53 -4.421 -12.253 1.123 378 1HD ARG 53 1HD ARG 53 -3.980 -9.788 -0.403 379 2HD ARG 53 2HD ARG 53 -4.010 -11.492 -0.949 380 HE ARG 53 HE ARG 53 -6.517 -10.291 0.058 381 1HH1 ARG 53 11HH ARG 53 -4.799 -11.427 -2.823 382 2HH1 ARG 53 12HH ARG 53 -6.154 -11.295 -3.840 383 1HH2 ARG 53 21HH ARG 53 -8.341 -10.118 -1.277 384 2HH2 ARG 53 22HH ARG 53 -8.255 -10.534 -2.929 385 H ILE 54 H ILE 54 -5.404 -8.135 3.107 386 HA ILE 54 HA ILE 54 -2.662 -7.308 3.351 387 HB ILE 54 HB ILE 54 -4.239 -6.322 1.667 388 1HG1 ILE 54 11HG ILE 54 -3.102 -4.383 3.694 389 2HG1 ILE 54 12HG ILE 54 -2.257 -5.121 2.329 390 1HG2 ILE 54 21HG ILE 54 -5.550 -5.155 4.110 391 2HG2 ILE 54 22HG ILE 54 -6.295 -6.276 2.968 392 3HG2 ILE 54 23HG ILE 54 -5.903 -4.625 2.460 393 1HD1 ILE 54 11HD ILE 54 -2.931 -2.789 1.932 394 2HD1 ILE 54 12HD ILE 54 -4.632 -3.312 2.054 395 3HD1 ILE 54 13HD ILE 54 -3.591 -3.939 0.769 396 H GLN 55 H GLN 55 -1.863 -6.104 5.163 397 HA GLN 55 HA GLN 55 -3.818 -5.428 7.169 398 1HB GLN 55 1HB GLN 55 -1.409 -7.151 7.796 399 2HB GLN 55 2HB GLN 55 -2.374 -6.342 9.013 400 1HG GLN 55 1HG GLN 55 -4.333 -7.634 8.244 401 2HG GLN 55 2HG GLN 55 -3.277 -8.526 7.148 402 1HE2 GLN 55 21HE GLN 55 -4.244 -7.998 10.412 403 2HE2 GLN 55 22HE GLN 55 -3.403 -9.341 11.098 404 H VAL 56 H VAL 56 -2.472 -4.433 9.162 405 HA VAL 56 HA VAL 56 -1.326 -1.990 8.338 406 HB VAL 56 HB VAL 56 -1.239 -3.395 11.032 407 1HG1 VAL 56 11HG VAL 56 0.544 -1.779 10.895 408 2HG1 VAL 56 12HG VAL 56 -0.706 -1.216 12.010 409 3HG1 VAL 56 13HG VAL 56 -0.588 -0.521 10.389 410 1HG2 VAL 56 21HG VAL 56 -3.006 -1.146 10.084 411 2HG2 VAL 56 22HG VAL 56 -3.047 -1.926 11.666 412 3HG2 VAL 56 23HG VAL 56 -3.493 -2.834 10.220 413 H ASN 57 H ASN 57 0.026 -5.058 9.059 414 HA ASN 57 HA ASN 57 2.679 -4.010 9.416 415 1HB ASN 57 1HB ASN 57 1.485 -6.715 9.617 416 2HB ASN 57 2HB ASN 57 3.245 -6.553 9.526 417 1HD2 ASN 57 21HD ASN 57 0.380 -6.022 11.444 418 2HD2 ASN 57 22HD ASN 57 1.198 -5.624 12.893 419 H ASP 58 H ASP 58 1.219 -3.954 6.723 420 HA ASP 58 HA ASP 58 3.320 -5.308 5.219 421 1HB ASP 58 1HB ASP 58 0.599 -4.358 4.296 422 2HB ASP 58 2HB ASP 58 1.901 -4.847 3.221 423 H GLN 59 H GLN 59 3.730 -4.175 3.084 424 HA GLN 59 HA GLN 59 4.102 -1.315 3.547 425 1HB GLN 59 1HB GLN 59 6.224 -2.565 3.818 426 2HB GLN 59 2HB GLN 59 5.978 -3.226 2.198 427 1HG GLN 59 1HG GLN 59 6.067 -0.959 1.270 428 2HG GLN 59 2HG GLN 59 6.318 -0.310 2.883 429 1HE2 GLN 59 21HE GLN 59 8.185 0.610 2.372 430 2HE2 GLN 59 22HE GLN 59 9.648 -0.245 2.049 431 H ILE 60 H ILE 60 3.568 -0.085 1.830 432 HA ILE 60 HA ILE 60 2.103 -1.262 -0.386 433 HB ILE 60 HB ILE 60 3.004 1.599 0.095 434 1HG1 ILE 60 11HG ILE 60 1.592 0.885 1.974 435 2HG1 ILE 60 12HG ILE 60 0.737 2.029 0.943 436 1HG2 ILE 60 21HG ILE 60 2.390 1.091 -2.203 437 2HG2 ILE 60 22HG ILE 60 1.225 2.195 -1.457 438 3HG2 ILE 60 23HG ILE 60 0.832 0.478 -1.643 439 1HD1 ILE 60 11HD ILE 60 -0.738 0.257 1.672 440 2HD1 ILE 60 12HD ILE 60 0.353 -0.953 1.007 441 3HD1 ILE 60 13HD ILE 60 -0.492 0.156 -0.074 442 H VAL 61 H VAL 61 2.863 -1.545 -2.381 443 HA VAL 61 HA VAL 61 5.623 -0.684 -2.867 444 HB VAL 61 HB VAL 61 4.213 -3.140 -3.947 445 1HG1 VAL 61 11HG VAL 61 5.733 -2.277 -5.607 446 2HG1 VAL 61 12HG VAL 61 6.310 -3.791 -4.903 447 3HG1 VAL 61 13HG VAL 61 7.046 -2.257 -4.415 448 1HG2 VAL 61 21HG VAL 61 5.851 -4.408 -2.624 449 2HG2 VAL 61 22HG VAL 61 4.823 -3.387 -1.624 450 3HG2 VAL 61 23HG VAL 61 6.476 -2.892 -1.975 451 H GLU 62 H GLU 62 2.606 -1.492 -4.496 452 HA GLU 62 HA GLU 62 2.836 0.842 -6.245 453 1HB GLU 62 1HB GLU 62 4.117 -0.776 -7.463 454 2HB GLU 62 2HB GLU 62 2.907 -2.014 -7.284 455 1HG GLU 62 1HG GLU 62 1.390 -0.704 -8.691 456 2HG GLU 62 2HG GLU 62 2.633 0.531 -8.872 457 H VAL 63 H VAL 63 0.876 1.657 -5.582 458 HA VAL 63 HA VAL 63 -1.381 -0.161 -5.548 459 HB VAL 63 HB VAL 63 -0.933 2.562 -4.275 460 1HG1 VAL 63 11HG VAL 63 -3.267 2.685 -3.763 461 2HG1 VAL 63 12HG VAL 63 -3.593 1.261 -4.776 462 3HG1 VAL 63 13HG VAL 63 -2.989 2.759 -5.502 463 1HG2 VAL 63 21HG VAL 63 -0.446 0.447 -3.113 464 2HG2 VAL 63 22HG VAL 63 -2.143 -0.001 -3.341 465 3HG2 VAL 63 23HG VAL 63 -1.731 1.416 -2.379 466 H ASP 64 H ASP 64 -2.746 -0.304 -7.027 467 HA ASP 64 HA ASP 64 -4.087 0.058 -8.805 468 1HB ASP 64 1HB ASP 64 -4.813 1.962 -7.352 469 2HB ASP 64 2HB ASP 64 -3.672 2.997 -8.193 470 H GLY 65 H GLY 65 -1.139 0.065 -9.038 471 1HA GLY 65 1HA GLY 65 0.364 -0.008 -10.772 472 2HA GLY 65 2HA GLY 65 -0.935 0.491 -11.847 473 H ILE 66 H ILE 66 -0.363 2.521 -9.108 474 HA ILE 66 HA ILE 66 0.449 4.633 -10.871 475 HB ILE 66 HB ILE 66 -1.091 4.725 -8.668 476 1HG1 ILE 66 11HG ILE 66 0.934 6.894 -9.256 477 2HG1 ILE 66 12HG ILE 66 -0.495 6.593 -10.243 478 1HG2 ILE 66 21HG ILE 66 0.579 3.889 -7.128 479 2HG2 ILE 66 22HG ILE 66 0.166 5.568 -6.736 480 3HG2 ILE 66 23HG ILE 66 1.670 5.198 -7.582 481 1HD1 ILE 66 11HD ILE 66 -0.854 8.441 -8.718 482 2HD1 ILE 66 12HD ILE 66 -0.448 7.383 -7.361 483 3HD1 ILE 66 13HD ILE 66 -1.899 7.070 -8.314 484 H SER 67 H SER 67 2.035 2.230 -9.216 485 HA SER 67 HA SER 67 4.088 1.803 -8.351 486 1HB SER 67 1HB SER 67 4.675 3.444 -10.697 487 2HB SER 67 2HB SER 67 5.843 2.267 -10.007 488 HG SER 67 HG SER 67 4.372 0.607 -10.683 489 H LEU 68 H LEU 68 3.958 3.034 -6.423 490 HA LEU 68 HA LEU 68 4.948 5.766 -6.508 491 1HB LEU 68 1HB LEU 68 4.241 5.875 -4.181 492 2HB LEU 68 2HB LEU 68 2.949 5.398 -5.263 493 HG LEU 68 HG LEU 68 4.375 3.144 -4.078 494 1HD1 LEU 68 11HD LEU 68 4.528 4.758 -2.339 495 2HD1 LEU 68 12HD LEU 68 3.420 3.448 -1.890 496 3HD1 LEU 68 13HD LEU 68 2.785 5.044 -2.373 497 1HD2 LEU 68 21HD LEU 68 1.479 3.973 -4.212 498 2HD2 LEU 68 22HD LEU 68 2.089 2.377 -3.761 499 3HD2 LEU 68 23HD LEU 68 2.329 2.987 -5.399 500 H VAL 69 H VAL 69 6.437 3.204 -6.677 501 HA VAL 69 HA VAL 69 8.365 3.001 -4.648 502 HB VAL 69 HB VAL 69 8.873 2.631 -7.617 503 1HG1 VAL 69 11HG VAL 69 10.665 1.105 -6.914 504 2HG1 VAL 69 12HG VAL 69 10.337 1.513 -5.229 505 3HG1 VAL 69 13HG VAL 69 10.932 2.751 -6.335 506 1HG2 VAL 69 21HG VAL 69 6.987 1.261 -6.909 507 2HG2 VAL 69 22HG VAL 69 7.939 0.612 -5.574 508 3HG2 VAL 69 23HG VAL 69 8.393 0.246 -7.238 509 H GLY 70 H GLY 70 9.232 4.774 -3.822 510 1HA GLY 70 1HA GLY 70 11.121 6.231 -3.882 511 2HA GLY 70 2HA GLY 70 10.852 6.435 -5.608 512 H VAL 71 H VAL 71 8.168 6.612 -3.346 513 HA VAL 71 HA VAL 71 8.180 9.506 -3.783 514 HB VAL 71 HB VAL 71 5.801 9.581 -3.581 515 1HG1 VAL 71 11HG VAL 71 6.615 9.089 -5.778 516 2HG1 VAL 71 12HG VAL 71 5.084 8.259 -5.504 517 3HG1 VAL 71 13HG VAL 71 6.602 7.361 -5.432 518 1HG2 VAL 71 21HG VAL 71 5.510 7.885 -1.850 519 2HG2 VAL 71 22HG VAL 71 5.851 6.606 -3.017 520 3HG2 VAL 71 23HG VAL 71 4.407 7.614 -3.192 521 H THR 72 H THR 72 6.755 10.614 -2.016 522 HA THR 72 HA THR 72 7.773 9.794 0.601 523 HB THR 72 HB THR 72 6.869 12.256 0.971 524 HG1 THR 72 HG1 THR 72 7.865 12.645 -1.596 525 1HG2 THR 72 21HG THR 72 9.205 11.552 1.327 526 2HG2 THR 72 22HG THR 72 9.147 13.101 0.485 527 3HG2 THR 72 23HG THR 72 9.491 11.622 -0.410 528 H GLN 73 H GLN 73 6.316 10.596 2.368 529 HA GLN 73 HA GLN 73 4.054 8.980 2.338 530 1HB GLN 73 1HB GLN 73 3.935 9.364 4.596 531 2HB GLN 73 2HB GLN 73 5.505 10.069 4.325 532 1HG GLN 73 1HG GLN 73 2.906 11.574 4.596 533 2HG GLN 73 2HG GLN 73 4.140 11.411 5.834 534 1HE2 GLN 73 21HE GLN 73 6.318 11.813 3.770 535 2HE2 GLN 73 22HE GLN 73 6.235 13.488 3.447 536 H ASN 74 H ASN 74 4.417 12.303 1.638 537 HA ASN 74 HA ASN 74 1.704 13.058 1.675 538 1HB ASN 74 1HB ASN 74 2.647 14.918 0.084 539 2HB ASN 74 2HB ASN 74 3.128 14.872 1.778 540 1HD2 ASN 74 21HD ASN 74 4.183 14.210 -1.496 541 2HD2 ASN 74 22HD ASN 74 5.851 14.010 -1.043 542 H PHE 75 H PHE 75 3.684 11.569 -0.799 543 HA PHE 75 HA PHE 75 1.681 11.927 -2.836 544 1HB PHE 75 1HB PHE 75 4.138 11.659 -3.366 545 2HB PHE 75 2HB PHE 75 3.997 10.002 -2.797 546 HD1 PHE 75 HD1 PHE 75 2.760 8.317 -4.102 547 HD2 PHE 75 HD2 PHE 75 3.227 12.300 -5.520 548 HE1 PHE 75 HE1 PHE 75 2.100 7.586 -6.344 549 HE2 PHE 75 HE2 PHE 75 2.560 11.569 -7.771 550 HZ PHE 75 HZ PHE 75 2.003 9.209 -8.186 551 H ALA 76 H ALA 76 2.926 9.299 -0.848 552 HA ALA 76 HA ALA 76 1.216 7.319 -1.798 553 1HB ALA 76 1HB ALA 76 3.238 6.875 -0.533 554 2HB ALA 76 2HB ALA 76 1.835 6.046 0.140 555 3HB ALA 76 3HB ALA 76 2.465 7.501 0.927 556 H ALA 77 H ALA 77 0.792 9.524 0.983 557 HA ALA 77 HA ALA 77 -1.624 8.414 1.910 558 1HB ALA 77 1HB ALA 77 -1.943 10.516 3.108 559 2HB ALA 77 2HB ALA 77 -0.679 11.276 2.140 560 3HB ALA 77 3HB ALA 77 -0.275 9.968 3.251 561 H THR 78 H THR 78 -0.908 10.416 -0.756 562 HA THR 78 HA THR 78 -3.602 11.274 -1.147 563 HB THR 78 HB THR 78 -1.095 11.504 -2.819 564 HG1 THR 78 HG1 THR 78 -0.827 13.012 -1.364 565 1HG2 THR 78 21HG THR 78 -2.359 13.088 -4.234 566 2HG2 THR 78 22HG THR 78 -3.826 12.718 -3.322 567 3HG2 THR 78 23HG THR 78 -3.046 11.464 -4.289 568 H VAL 79 H VAL 79 -1.434 8.888 -2.664 569 HA VAL 79 HA VAL 79 -3.278 7.954 -4.570 570 HB VAL 79 HB VAL 79 -1.153 6.244 -3.212 571 1HG1 VAL 79 11HG VAL 79 -1.179 4.942 -5.246 572 2HG1 VAL 79 12HG VAL 79 -2.413 5.996 -5.926 573 3HG1 VAL 79 13HG VAL 79 -2.784 5.001 -4.523 574 1HG2 VAL 79 21HG VAL 79 -0.135 8.268 -4.017 575 2HG2 VAL 79 22HG VAL 79 -0.951 8.099 -5.560 576 3HG2 VAL 79 23HG VAL 79 0.295 6.928 -5.083 577 H LEU 80 H LEU 80 -2.429 6.710 -1.378 578 HA LEU 80 HA LEU 80 -4.399 4.693 -1.317 579 1HB LEU 80 1HB LEU 80 -2.658 5.922 0.812 580 2HB LEU 80 2HB LEU 80 -3.843 4.702 1.202 581 HG LEU 80 HG LEU 80 -1.645 3.694 1.076 582 1HD1 LEU 80 11HD LEU 80 -2.011 1.922 -0.449 583 2HD1 LEU 80 12HD LEU 80 -3.174 2.890 -1.357 584 3HD1 LEU 80 13HD LEU 80 -3.545 2.385 0.288 585 1HD2 LEU 80 21HD LEU 80 -1.503 4.690 -1.757 586 2HD2 LEU 80 22HD LEU 80 -0.332 3.612 -0.991 587 3HD2 LEU 80 23HD LEU 80 -0.526 5.270 -0.410 588 H ARG 81 H ARG 81 -4.926 7.808 -1.329 589 HA ARG 81 HA ARG 81 -7.275 7.822 0.475 590 1HB ARG 81 1HB ARG 81 -5.623 9.683 0.608 591 2HB ARG 81 2HB ARG 81 -5.947 10.035 -1.073 592 1HG ARG 81 1HG ARG 81 -8.345 10.440 -0.403 593 2HG ARG 81 2HG ARG 81 -7.784 10.383 1.272 594 1HD ARG 81 1HD ARG 81 -6.060 12.114 0.630 595 2HD ARG 81 2HD ARG 81 -6.919 12.231 -0.909 596 HE ARG 81 HE ARG 81 -8.903 12.665 0.819 597 1HH1 ARG 81 11HH ARG 81 -5.680 14.148 0.596 598 2HH1 ARG 81 12HH ARG 81 -6.158 15.577 1.389 599 1HH2 ARG 81 21HH ARG 81 -9.518 14.611 1.896 600 2HH2 ARG 81 22HH ARG 81 -8.367 15.860 2.130 601 H ASN 82 H ASN 82 -6.077 8.523 -2.743 602 HA ASN 82 HA ASN 82 -8.617 9.240 -3.766 603 1HB ASN 82 1HB ASN 82 -5.851 9.331 -4.735 604 2HB ASN 82 2HB ASN 82 -7.096 9.332 -5.964 605 1HD2 ASN 82 21HD ASN 82 -5.706 10.995 -3.305 606 2HD2 ASN 82 22HD ASN 82 -6.514 12.508 -3.568 607 H THR 83 H THR 83 -7.014 6.286 -3.463 608 HA THR 83 HA THR 83 -7.753 4.955 -5.804 609 HB THR 83 HB THR 83 -7.748 2.956 -4.305 610 HG1 THR 83 HG1 THR 83 -8.141 4.564 -2.473 611 1HG2 THR 83 21HG THR 83 -5.338 4.773 -4.301 612 2HG2 THR 83 22HG THR 83 -5.759 3.610 -5.565 613 3HG2 THR 83 23HG THR 83 -5.291 3.052 -3.959 614 H LYS 84 H LYS 84 -9.570 3.847 -6.362 615 HA LYS 84 HA LYS 84 -11.839 4.077 -4.548 616 1HB LYS 84 1HB LYS 84 -11.853 4.991 -7.403 617 2HB LYS 84 2HB LYS 84 -13.302 4.609 -6.467 618 1HG LYS 84 1HG LYS 84 -11.274 6.713 -5.749 619 2HG LYS 84 2HG LYS 84 -12.841 7.015 -6.512 620 1HD LYS 84 1HD LYS 84 -13.914 5.900 -4.585 621 2HD LYS 84 2HD LYS 84 -12.346 5.782 -3.809 622 1HE LYS 84 1HE LYS 84 -12.115 8.221 -3.867 623 2HE LYS 84 2HE LYS 84 -13.681 8.335 -4.668 624 1HZ LYS 84 1HZ LYS 84 -14.672 7.311 -2.638 625 2HZ LYS 84 2HZ LYS 84 -14.010 8.819 -2.419 626 3HZ LYS 84 3HZ LYS 84 -13.170 7.482 -1.853 627 H GLY 85 H GLY 85 -13.101 2.606 -4.409 628 1HA GLY 85 1HA GLY 85 -13.893 0.524 -4.263 629 2HA GLY 85 2HA GLY 85 -14.180 0.728 -5.994 630 H ASN 86 H ASN 86 -12.156 0.366 -7.104 631 HA ASN 86 HA ASN 86 -11.349 -2.386 -6.321 632 1HB ASN 86 1HB ASN 86 -11.587 -1.248 -9.091 633 2HB ASN 86 2HB ASN 86 -10.975 -2.868 -8.736 634 1HD2 ASN 86 21HD ASN 86 -12.439 -4.426 -7.921 635 2HD2 ASN 86 22HD ASN 86 -14.144 -4.224 -8.107 636 H VAL 87 H VAL 87 -9.529 -2.228 -5.374 637 HA VAL 87 HA VAL 87 -7.482 -0.422 -6.499 638 HB VAL 87 HB VAL 87 -7.550 -1.430 -3.705 639 1HG1 VAL 87 11HG VAL 87 -6.295 0.965 -4.993 640 2HG1 VAL 87 12HG VAL 87 -5.512 -0.539 -4.500 641 3HG1 VAL 87 13HG VAL 87 -6.193 0.540 -3.273 642 1HG2 VAL 87 21HG VAL 87 -9.665 -0.399 -4.079 643 2HG2 VAL 87 22HG VAL 87 -8.910 1.074 -4.709 644 3HG2 VAL 87 23HG VAL 87 -8.704 0.610 -3.008 645 H ARG 88 H ARG 88 -5.723 -1.360 -7.219 646 HA ARG 88 HA ARG 88 -5.156 -4.104 -6.403 647 1HB ARG 88 1HB ARG 88 -4.313 -2.453 -8.751 648 2HB ARG 88 2HB ARG 88 -3.477 -3.944 -8.319 649 1HG ARG 88 1HG ARG 88 -5.333 -5.257 -8.744 650 2HG ARG 88 2HG ARG 88 -6.439 -3.889 -8.637 651 1HD ARG 88 1HD ARG 88 -4.380 -4.287 -10.762 652 2HD ARG 88 2HD ARG 88 -6.099 -4.695 -10.929 653 HE ARG 88 HE ARG 88 -4.882 -2.095 -11.007 654 1HH1 ARG 88 11HH ARG 88 -7.967 -3.878 -10.560 655 2HH1 ARG 88 12HH ARG 88 -8.928 -2.504 -10.817 656 1HH2 ARG 88 21HH ARG 88 -6.303 -0.185 -11.302 657 2HH2 ARG 88 22HH ARG 88 -7.983 -0.395 -11.239 658 H PHE 89 H PHE 89 -4.216 -3.931 -4.528 659 HA PHE 89 HA PHE 89 -2.025 -2.073 -4.122 660 1HB PHE 89 1HB PHE 89 -2.999 -4.295 -2.314 661 2HB PHE 89 2HB PHE 89 -1.835 -3.043 -1.942 662 HD1 PHE 89 HD1 PHE 89 -2.509 -0.921 -1.235 663 HD2 PHE 89 HD2 PHE 89 -5.386 -3.744 -2.556 664 HE1 PHE 89 HE1 PHE 89 -4.284 0.467 -0.304 665 HE2 PHE 89 HE2 PHE 89 -7.184 -2.345 -1.635 666 HZ PHE 89 HZ PHE 89 -6.641 -0.251 -0.500 667 H VAL 90 H VAL 90 -0.320 -2.767 -5.383 668 HA VAL 90 HA VAL 90 0.301 -5.566 -5.274 669 HB VAL 90 HB VAL 90 1.824 -3.290 -6.544 670 1HG1 VAL 90 11HG VAL 90 3.280 -5.190 -6.041 671 2HG1 VAL 90 12HG VAL 90 3.047 -5.065 -7.783 672 3HG1 VAL 90 13HG VAL 90 2.166 -6.285 -6.860 673 1HG2 VAL 90 21HG VAL 90 0.957 -4.123 -8.690 674 2HG2 VAL 90 22HG VAL 90 -0.338 -3.597 -7.612 675 3HG2 VAL 90 23HG VAL 90 -0.008 -5.316 -7.823 676 H ILE 91 H ILE 91 0.709 -5.873 -3.235 677 HA ILE 91 HA ILE 91 2.991 -4.554 -1.996 678 HB ILE 91 HB ILE 91 0.525 -5.961 -0.954 679 1HG1 ILE 91 11HG ILE 91 1.587 -3.212 -0.404 680 2HG1 ILE 91 12HG ILE 91 0.408 -3.567 -1.657 681 1HG2 ILE 91 21HG ILE 91 2.858 -5.056 0.738 682 2HG2 ILE 91 22HG ILE 91 2.375 -6.726 0.455 683 3HG2 ILE 91 23HG ILE 91 1.305 -5.640 1.340 684 1HD1 ILE 91 11HD ILE 91 -0.600 -2.695 0.277 685 2HD1 ILE 91 12HD ILE 91 0.076 -4.023 1.261 686 3HD1 ILE 91 13HD ILE 91 -1.085 -4.367 -0.056 687 H GLY 92 H GLY 92 4.379 -6.092 -0.787 688 1HA GLY 92 1HA GLY 92 4.301 -8.670 -2.137 689 2HA GLY 92 2HA GLY 92 5.810 -7.810 -1.851 690 H ARG 93 H ARG 93 5.554 -10.333 -0.986 691 HA ARG 93 HA ARG 93 5.349 -10.044 1.937 692 1HB ARG 93 1HB ARG 93 3.831 -11.720 0.828 693 2HB ARG 93 2HB ARG 93 5.249 -12.619 0.306 694 1HG ARG 93 1HG ARG 93 4.411 -12.143 3.184 695 2HG ARG 93 2HG ARG 93 3.996 -13.556 2.238 696 1HD ARG 93 1HD ARG 93 6.401 -14.104 2.055 697 2HD ARG 93 2HD ARG 93 6.774 -12.707 3.066 698 HE ARG 93 HE ARG 93 4.860 -14.422 4.287 699 1HH1 ARG 93 11HH ARG 93 8.384 -14.052 3.846 700 2HH1 ARG 93 12HH ARG 93 8.741 -15.018 5.196 701 1HH2 ARG 93 21HH ARG 93 5.432 -15.744 6.108 702 2HH2 ARG 93 22HH ARG 93 7.080 -15.956 6.504 703 H GLU 94 H GLU 94 7.209 -10.172 3.004 704 HA GLU 94 HA GLU 94 9.615 -10.955 1.546 705 1HB GLU 94 1HB GLU 94 9.277 -9.397 4.122 706 2HB GLU 94 2HB GLU 94 10.809 -9.764 3.349 707 1HG GLU 94 1HG GLU 94 10.180 -8.397 1.436 708 2HG GLU 94 2HG GLU 94 8.626 -8.046 2.197 Start of MODEL 20 1 1H GLY 1 1H GLY 1 17.216 -13.013 1.659 2 2H GLY 1 2H GLY 1 16.903 -14.375 0.747 3 3H GLY 1 3H GLY 1 16.809 -14.450 2.444 4 1HA GLY 1 1HA GLY 1 14.599 -14.313 1.449 5 2HA GLY 1 2HA GLY 1 14.976 -12.854 2.368 6 H HIS 2 H HIS 2 13.102 -12.431 0.636 7 HA HIS 2 HA HIS 2 14.228 -10.688 -1.293 8 1HB HIS 2 1HB HIS 2 13.202 -11.728 -3.293 9 2HB HIS 2 2HB HIS 2 14.396 -12.803 -2.586 10 HD1 HIS 2 HD1 HIS 2 10.977 -12.793 -3.830 11 HD2 HIS 2 HD2 HIS 2 13.114 -14.926 -0.971 12 HE1 HIS 2 HE1 HIS 2 9.636 -14.859 -3.354 13 H MET 3 H MET 3 12.265 -9.737 -2.582 14 HA MET 3 HA MET 3 9.973 -9.638 -0.752 15 1HB MET 3 1HB MET 3 11.349 -7.546 -0.890 16 2HB MET 3 2HB MET 3 11.017 -7.495 -2.613 17 1HG MET 3 1HG MET 3 8.672 -7.175 -2.191 18 2HG MET 3 2HG MET 3 8.929 -7.292 -0.445 19 1HE MET 3 1HE MET 3 8.160 -3.509 -0.669 20 2HE MET 3 2HE MET 3 7.869 -5.027 0.186 21 3HE MET 3 3HE MET 3 7.348 -4.845 -1.489 22 H GLU 4 H GLU 4 8.257 -10.600 -1.641 23 HA GLU 4 HA GLU 4 8.149 -10.998 -4.527 24 1HB GLU 4 1HB GLU 4 7.641 -12.861 -2.932 25 2HB GLU 4 2HB GLU 4 6.284 -11.880 -2.358 26 1HG GLU 4 1HG GLU 4 5.269 -11.977 -4.580 27 2HG GLU 4 2HG GLU 4 6.623 -12.937 -5.162 28 H LEU 5 H LEU 5 7.221 -9.425 -5.656 29 HA LEU 5 HA LEU 5 5.382 -7.611 -4.358 30 1HB LEU 5 1HB LEU 5 6.416 -7.595 -7.194 31 2HB LEU 5 2HB LEU 5 5.482 -6.329 -6.441 32 HG LEU 5 HG LEU 5 7.616 -5.504 -6.458 33 1HD1 LEU 5 11HD LEU 5 7.354 -6.692 -3.765 34 2HD1 LEU 5 12HD LEU 5 6.618 -5.191 -4.332 35 3HD1 LEU 5 13HD LEU 5 8.380 -5.321 -4.193 36 1HD2 LEU 5 21HD LEU 5 8.845 -7.495 -7.120 37 2HD2 LEU 5 22HD LEU 5 8.699 -8.142 -5.485 38 3HD2 LEU 5 23HD LEU 5 9.649 -6.686 -5.775 39 H PHE 6 H PHE 6 3.265 -7.993 -4.368 40 HA PHE 6 HA PHE 6 2.209 -9.406 -6.650 41 1HB PHE 6 1HB PHE 6 0.664 -10.549 -4.999 42 2HB PHE 6 2HB PHE 6 2.291 -11.217 -5.160 43 HD1 PHE 6 HD1 PHE 6 3.699 -11.176 -3.212 44 HD2 PHE 6 HD2 PHE 6 -0.078 -9.290 -3.187 45 HE1 PHE 6 HE1 PHE 6 3.841 -10.971 -0.776 46 HE2 PHE 6 HE2 PHE 6 0.042 -9.061 -0.723 47 HZ PHE 6 HZ PHE 6 1.998 -9.910 0.479 48 HA PRO 7 HA PRO 7 -0.939 -6.317 -6.480 49 1HB PRO 7 1HB PRO 7 -2.671 -7.452 -8.144 50 2HB PRO 7 2HB PRO 7 -1.197 -6.672 -8.718 51 1HG PRO 7 1HG PRO 7 -1.786 -9.596 -8.374 52 2HG PRO 7 2HG PRO 7 -0.821 -8.798 -9.636 53 1HD PRO 7 1HD PRO 7 0.184 -10.106 -7.417 54 2HD PRO 7 2HD PRO 7 1.055 -8.851 -8.336 55 H VAL 8 H VAL 8 -2.284 -6.117 -4.868 56 HA VAL 8 HA VAL 8 -4.059 -8.341 -4.236 57 HB VAL 8 HB VAL 8 -3.469 -5.948 -2.485 58 1HG1 VAL 8 11HG VAL 8 -4.807 -8.569 -1.840 59 2HG1 VAL 8 12HG VAL 8 -5.589 -6.996 -1.987 60 3HG1 VAL 8 13HG VAL 8 -4.444 -7.290 -0.679 61 1HG2 VAL 8 21HG VAL 8 -1.430 -7.209 -2.782 62 2HG2 VAL 8 22HG VAL 8 -2.260 -8.700 -2.320 63 3HG2 VAL 8 23HG VAL 8 -2.037 -7.409 -1.138 64 H GLU 9 H GLU 9 -5.725 -7.966 -5.602 65 HA GLU 9 HA GLU 9 -6.730 -5.304 -5.942 66 1HB GLU 9 1HB GLU 9 -6.751 -6.952 -7.797 67 2HB GLU 9 2HB GLU 9 -7.860 -7.948 -6.868 68 1HG GLU 9 1HG GLU 9 -9.523 -6.172 -6.926 69 2HG GLU 9 2HG GLU 9 -8.408 -5.155 -7.840 70 H LEU 10 H LEU 10 -7.685 -4.456 -4.293 71 HA LEU 10 HA LEU 10 -9.239 -6.146 -2.473 72 1HB LEU 10 1HB LEU 10 -7.369 -4.253 -2.028 73 2HB LEU 10 2HB LEU 10 -8.796 -3.248 -2.144 74 HG LEU 10 HG LEU 10 -8.285 -3.627 0.152 75 1HD1 LEU 10 11HD LEU 10 -10.330 -4.576 1.005 76 2HD1 LEU 10 12HD LEU 10 -10.662 -5.294 -0.567 77 3HD1 LEU 10 13HD LEU 10 -10.639 -3.544 -0.394 78 1HD2 LEU 10 21HD LEU 10 -8.217 -5.845 1.147 79 2HD2 LEU 10 22HD LEU 10 -6.964 -5.632 -0.076 80 3HD2 LEU 10 23HD LEU 10 -8.411 -6.569 -0.447 81 H GLU 11 H GLU 11 -11.485 -5.789 -2.442 82 HA GLU 11 HA GLU 11 -12.329 -3.496 -4.016 83 1HB GLU 11 1HB GLU 11 -13.131 -5.710 -4.904 84 2HB GLU 11 2HB GLU 11 -14.089 -5.881 -3.431 85 1HG GLU 11 1HG GLU 11 -15.321 -3.888 -3.938 86 2HG GLU 11 2HG GLU 11 -14.291 -3.569 -5.329 87 H LYS 12 H LYS 12 -12.047 -2.110 -2.413 88 HA LYS 12 HA LYS 12 -13.137 -2.429 0.095 89 1HB LYS 12 1HB LYS 12 -11.414 -0.585 -1.229 90 2HB LYS 12 2HB LYS 12 -12.639 0.291 -0.330 91 1HG LYS 12 1HG LYS 12 -11.043 -1.928 0.782 92 2HG LYS 12 2HG LYS 12 -10.518 -0.236 0.961 93 1HD LYS 12 1HD LYS 12 -12.902 0.180 1.902 94 2HD LYS 12 2HD LYS 12 -12.995 -1.578 2.048 95 1HE LYS 12 1HE LYS 12 -11.621 -1.615 3.839 96 2HE LYS 12 2HE LYS 12 -10.800 -0.102 3.431 97 1HZ LYS 12 1HZ LYS 12 -12.482 0.205 5.290 98 2HZ LYS 12 2HZ LYS 12 -13.691 -0.259 4.168 99 3HZ LYS 12 3HZ LYS 12 -12.805 1.100 3.917 100 H ASP 13 H ASP 13 -14.426 -0.671 1.094 101 HA ASP 13 HA ASP 13 -17.077 -0.886 0.247 102 1HB ASP 13 1HB ASP 13 -15.880 1.042 2.272 103 2HB ASP 13 2HB ASP 13 -17.536 0.468 2.191 104 H GLU 14 H GLU 14 -18.401 1.159 -0.052 105 HA GLU 14 HA GLU 14 -17.246 2.617 -2.217 106 1HB GLU 14 1HB GLU 14 -19.416 3.808 -2.328 107 2HB GLU 14 2HB GLU 14 -19.581 2.060 -2.332 108 1HG GLU 14 1HG GLU 14 -20.186 2.124 0.037 109 2HG GLU 14 2HG GLU 14 -20.022 3.880 0.015 110 H ASP 15 H ASP 15 -17.239 3.092 1.069 111 HA ASP 15 HA ASP 15 -16.930 5.897 1.251 112 1HB ASP 15 1HB ASP 15 -17.329 4.548 3.240 113 2HB ASP 15 2HB ASP 15 -15.799 3.712 3.005 114 H GLY 16 H GLY 16 -14.664 3.239 0.793 115 1HA GLY 16 1HA GLY 16 -12.780 3.889 -0.724 116 2HA GLY 16 2HA GLY 16 -12.490 5.176 0.458 117 H LEU 17 H LEU 17 -10.461 4.334 1.018 118 HA LEU 17 HA LEU 17 -10.361 1.573 1.971 119 1HB LEU 17 1HB LEU 17 -8.133 3.565 2.144 120 2HB LEU 17 2HB LEU 17 -8.042 1.821 2.190 121 HG LEU 17 HG LEU 17 -8.626 3.561 -0.114 122 1HD1 LEU 17 11HD LEU 17 -6.507 2.545 -0.975 123 2HD1 LEU 17 12HD LEU 17 -6.299 1.804 0.612 124 3HD1 LEU 17 13HD LEU 17 -6.322 3.558 0.453 125 1HD2 LEU 17 21HD LEU 17 -8.586 1.472 -1.494 126 2HD2 LEU 17 22HD LEU 17 -9.961 1.579 -0.399 127 3HD2 LEU 17 23HD LEU 17 -8.597 0.538 0.005 128 H GLY 18 H GLY 18 -9.812 4.840 3.116 129 1HA GLY 18 1HA GLY 18 -9.868 5.735 5.189 130 2HA GLY 18 2HA GLY 18 -10.620 4.240 5.758 131 H ILE 19 H ILE 19 -7.595 4.107 4.058 132 HA ILE 19 HA ILE 19 -6.369 3.300 6.599 133 HB ILE 19 HB ILE 19 -4.751 1.983 5.415 134 1HG1 ILE 19 11HG ILE 19 -5.869 3.065 2.827 135 2HG1 ILE 19 12HG ILE 19 -4.369 3.610 3.580 136 1HG2 ILE 19 21HG ILE 19 -6.955 0.923 5.622 137 2HG2 ILE 19 22HG ILE 19 -6.144 0.402 4.147 138 3HG2 ILE 19 23HG ILE 19 -7.424 1.609 4.073 139 1HD1 ILE 19 11HD ILE 19 -4.918 0.816 2.579 140 2HD1 ILE 19 12HD ILE 19 -3.427 1.366 3.347 141 3HD1 ILE 19 13HD ILE 19 -3.904 2.023 1.786 142 H SER 20 H SER 20 -3.798 3.652 6.373 143 HA SER 20 HA SER 20 -3.233 6.343 5.392 144 1HB SER 20 1HB SER 20 -3.030 5.504 8.296 145 2HB SER 20 2HB SER 20 -2.427 7.026 7.664 146 HG SER 20 HG SER 20 -4.934 6.727 6.874 147 H ILE 21 H ILE 21 -0.990 6.810 5.446 148 HA ILE 21 HA ILE 21 0.614 4.361 5.252 149 HB ILE 21 HB ILE 21 1.891 5.472 3.485 150 1HG1 ILE 21 11HG ILE 21 0.505 7.564 2.435 151 2HG1 ILE 21 12HG ILE 21 0.069 7.749 4.104 152 1HG2 ILE 21 21HG ILE 21 0.205 5.353 1.704 153 2HG2 ILE 21 22HG ILE 21 -1.062 5.340 2.929 154 3HG2 ILE 21 23HG ILE 21 0.091 4.007 2.838 155 1HD1 ILE 21 11HD ILE 21 2.384 7.985 4.760 156 2HD1 ILE 21 12HD ILE 21 1.980 9.139 3.496 157 3HD1 ILE 21 13HD ILE 21 2.908 7.724 3.107 158 H ILE 22 H ILE 22 2.912 4.681 5.644 159 HA ILE 22 HA ILE 22 3.499 7.131 7.038 160 HB ILE 22 HB ILE 22 3.106 5.510 8.767 161 1HG1 ILE 22 11HG ILE 22 6.052 6.134 8.520 162 2HG1 ILE 22 12HG ILE 22 4.820 7.226 9.133 163 1HG2 ILE 22 21HG ILE 22 4.517 3.527 9.082 164 2HG2 ILE 22 22HG ILE 22 5.283 3.866 7.528 165 3HG2 ILE 22 23HG ILE 22 3.565 3.460 7.594 166 1HD1 ILE 22 11HD ILE 22 6.056 6.267 10.943 167 2HD1 ILE 22 12HD ILE 22 5.700 4.638 10.370 168 3HD1 ILE 22 13HD ILE 22 4.399 5.662 10.982 169 H GLY 23 H GLY 23 5.216 8.108 6.369 170 1HA GLY 23 1HA GLY 23 6.767 6.788 4.333 171 2HA GLY 23 2HA GLY 23 6.797 8.517 4.699 172 H MET 24 H MET 24 8.188 5.517 5.108 173 HA MET 24 HA MET 24 10.065 6.559 7.130 174 1HB MET 24 1HB MET 24 9.517 3.704 6.249 175 2HB MET 24 2HB MET 24 10.727 4.175 7.425 176 1HG MET 24 1HG MET 24 7.755 4.568 7.730 177 2HG MET 24 2HG MET 24 8.687 3.261 8.455 178 1HE MET 24 1HE MET 24 10.489 3.605 10.364 179 2HE MET 24 2HE MET 24 10.962 5.185 10.985 180 3HE MET 24 3HE MET 24 11.369 4.737 9.332 181 H GLY 25 H GLY 25 12.359 5.829 6.659 182 1HA GLY 25 1HA GLY 25 12.702 5.888 3.742 183 2HA GLY 25 2HA GLY 25 13.757 6.762 4.841 184 H VAL 26 H VAL 26 12.981 3.728 3.430 185 HA VAL 26 HA VAL 26 15.092 2.506 4.982 186 HB VAL 26 HB VAL 26 13.036 1.142 4.840 187 1HG1 VAL 26 11HG VAL 26 12.261 0.140 2.772 188 2HG1 VAL 26 12HG VAL 26 13.429 1.107 1.871 189 3HG1 VAL 26 13HG VAL 26 12.127 1.898 2.754 190 1HG2 VAL 26 21HG VAL 26 13.998 -0.976 4.029 191 2HG2 VAL 26 22HG VAL 26 15.127 -0.063 5.031 192 3HG2 VAL 26 23HG VAL 26 15.314 -0.071 3.277 193 H GLY 27 H GLY 27 17.011 2.687 4.334 194 1HA GLY 27 1HA GLY 27 17.608 3.306 1.580 195 2HA GLY 27 2HA GLY 27 18.758 3.232 2.913 196 H ALA 28 H ALA 28 19.441 1.147 3.646 197 HA ALA 28 HA ALA 28 18.934 -1.129 1.945 198 1HB ALA 28 1HB ALA 28 20.759 0.051 0.766 199 2HB ALA 28 2HB ALA 28 21.285 -1.495 1.432 200 3HB ALA 28 3HB ALA 28 21.713 0.008 2.249 201 H ASP 29 H ASP 29 18.302 -2.468 3.380 202 HA ASP 29 HA ASP 29 20.075 -3.477 5.367 203 1HB ASP 29 1HB ASP 29 19.554 -1.346 6.492 204 2HB ASP 29 2HB ASP 29 17.842 -1.744 6.430 205 H ALA 30 H ALA 30 16.732 -3.001 4.419 206 HA ALA 30 HA ALA 30 15.911 -5.316 5.951 207 1HB ALA 30 1HB ALA 30 14.207 -3.448 4.333 208 2HB ALA 30 2HB ALA 30 14.603 -3.251 6.036 209 3HB ALA 30 3HB ALA 30 13.651 -4.639 5.509 210 H GLY 31 H GLY 31 16.662 -4.666 2.617 211 1HA GLY 31 1HA GLY 31 16.858 -6.477 1.086 212 2HA GLY 31 2HA GLY 31 15.571 -7.319 1.950 213 H LEU 32 H LEU 32 14.548 -4.406 2.022 214 HA LEU 32 HA LEU 32 12.768 -4.711 -0.241 215 1HB LEU 32 1HB LEU 32 12.773 -2.801 2.100 216 2HB LEU 32 2HB LEU 32 11.698 -2.580 0.742 217 HG LEU 32 HG LEU 32 10.623 -4.759 1.241 218 1HD1 LEU 32 11HD LEU 32 11.033 -5.908 3.341 219 2HD1 LEU 32 12HD LEU 32 12.365 -4.806 3.692 220 3HD1 LEU 32 13HD LEU 32 12.473 -5.912 2.322 221 1HD2 LEU 32 21HD LEU 32 10.722 -2.853 3.565 222 2HD2 LEU 32 22HD LEU 32 9.472 -4.063 3.275 223 3HD2 LEU 32 23HD LEU 32 9.680 -2.724 2.147 224 H GLU 33 H GLU 33 15.044 -2.320 1.040 225 HA GLU 33 HA GLU 33 16.003 -0.503 0.169 226 1HB GLU 33 1HB GLU 33 16.663 -2.736 -1.683 227 2HB GLU 33 2HB GLU 33 17.348 -1.130 -1.917 228 1HG GLU 33 1HG GLU 33 18.894 -2.431 -0.680 229 2HG GLU 33 2HG GLU 33 18.181 -1.164 0.312 230 H LYS 34 H LYS 34 13.564 0.069 -0.289 231 HA LYS 34 HA LYS 34 13.569 1.511 -2.764 232 1HB LYS 34 1HB LYS 34 11.303 0.657 -3.392 233 2HB LYS 34 2HB LYS 34 12.568 -0.563 -3.453 234 1HG LYS 34 1HG LYS 34 11.768 -1.586 -1.423 235 2HG LYS 34 2HG LYS 34 10.609 -0.283 -1.184 236 1HD LYS 34 1HD LYS 34 9.542 -2.314 -2.078 237 2HD LYS 34 2HD LYS 34 9.381 -0.935 -3.163 238 1HE LYS 34 1HE LYS 34 9.896 -2.926 -4.437 239 2HE LYS 34 2HE LYS 34 11.246 -1.794 -4.491 240 1HZ LYS 34 1HZ LYS 34 12.399 -3.159 -2.822 241 2HZ LYS 34 2HZ LYS 34 12.047 -4.040 -4.170 242 3HZ LYS 34 3HZ LYS 34 11.122 -4.253 -2.786 243 H LEU 35 H LEU 35 10.843 2.180 -2.487 244 HA LEU 35 HA LEU 35 10.678 4.293 -0.802 245 1HB LEU 35 1HB LEU 35 8.269 4.059 -0.996 246 2HB LEU 35 2HB LEU 35 9.073 3.747 -2.523 247 HG LEU 35 HG LEU 35 8.844 1.244 -1.348 248 1HD1 LEU 35 11HD LEU 35 6.441 1.026 -0.891 249 2HD1 LEU 35 12HD LEU 35 6.321 2.783 -0.876 250 3HD1 LEU 35 13HD LEU 35 7.333 1.944 0.305 251 1HD2 LEU 35 21HD LEU 35 8.637 1.720 -3.682 252 2HD2 LEU 35 22HD LEU 35 7.068 2.518 -3.404 253 3HD2 LEU 35 23HD LEU 35 7.251 0.785 -3.119 254 H GLY 36 H GLY 36 10.073 4.609 1.349 255 1HA GLY 36 1HA GLY 36 9.875 2.174 2.974 256 2HA GLY 36 2HA GLY 36 10.380 3.759 3.561 257 H ILE 37 H ILE 37 7.679 3.305 1.453 258 HA ILE 37 HA ILE 37 5.989 4.551 3.420 259 HB ILE 37 HB ILE 37 5.167 3.530 0.694 260 1HG1 ILE 37 11HG ILE 37 7.000 5.285 0.692 261 2HG1 ILE 37 12HG ILE 37 5.533 5.772 -0.186 262 1HG2 ILE 37 21HG ILE 37 3.266 5.098 0.997 263 2HG2 ILE 37 22HG ILE 37 3.858 5.441 2.629 264 3HG2 ILE 37 23HG ILE 37 3.308 3.828 2.223 265 1HD1 ILE 37 11HD ILE 37 4.936 7.023 1.889 266 2HD1 ILE 37 12HD ILE 37 6.369 7.594 1.044 267 3HD1 ILE 37 13HD ILE 37 6.541 6.604 2.503 268 H PHE 38 H PHE 38 5.464 3.282 4.956 269 HA PHE 38 HA PHE 38 4.520 0.579 4.349 270 1HB PHE 38 1HB PHE 38 5.335 1.862 6.944 271 2HB PHE 38 2HB PHE 38 4.631 0.245 6.826 272 HD1 PHE 38 HD1 PHE 38 5.870 -1.581 5.770 273 HD2 PHE 38 HD2 PHE 38 7.666 2.242 6.324 274 HE1 PHE 38 HE1 PHE 38 8.088 -2.560 5.370 275 HE2 PHE 38 HE2 PHE 38 9.867 1.273 5.926 276 HZ PHE 38 HZ PHE 38 10.095 -1.133 5.443 277 H VAL 39 H VAL 39 2.644 -0.134 5.682 278 HA VAL 39 HA VAL 39 0.575 1.850 5.415 279 HB VAL 39 HB VAL 39 0.342 -1.018 6.405 280 1HG1 VAL 39 11HG VAL 39 -1.757 0.897 5.398 281 2HG1 VAL 39 12HG VAL 39 -1.537 0.388 7.071 282 3HG1 VAL 39 13HG VAL 39 -2.028 -0.786 5.851 283 1HG2 VAL 39 21HG VAL 39 -0.416 -1.554 4.122 284 2HG2 VAL 39 22HG VAL 39 1.237 -0.929 4.119 285 3HG2 VAL 39 23HG VAL 39 -0.091 0.109 3.632 286 H LYS 40 H LYS 40 0.177 3.188 6.930 287 HA LYS 40 HA LYS 40 1.313 2.999 9.566 288 1HB LYS 40 1HB LYS 40 1.222 5.133 8.407 289 2HB LYS 40 2HB LYS 40 -0.511 5.003 8.260 290 1HG LYS 40 1HG LYS 40 0.017 6.590 9.948 291 2HG LYS 40 2HG LYS 40 -0.717 5.176 10.695 292 1HD LYS 40 1HD LYS 40 1.548 4.386 11.314 293 2HD LYS 40 2HD LYS 40 2.212 5.888 10.649 294 1HE LYS 40 1HE LYS 40 0.739 7.146 12.151 295 2HE LYS 40 2HE LYS 40 0.217 5.614 12.845 296 1HZ LYS 40 1HZ LYS 40 3.015 6.660 12.924 297 2HZ LYS 40 2HZ LYS 40 2.504 5.221 13.614 298 3HZ LYS 40 3HZ LYS 40 1.930 6.687 14.193 299 H THR 41 H THR 41 -1.931 2.963 8.167 300 HA THR 41 HA THR 41 -3.018 1.684 10.543 301 HB THR 41 HB THR 41 -4.392 3.997 9.413 302 HG1 THR 41 HG1 THR 41 -2.307 4.010 11.380 303 1HG2 THR 41 21HG THR 41 -5.332 4.228 11.719 304 2HG2 THR 41 22HG THR 41 -4.398 2.801 12.185 305 3HG2 THR 41 23HG THR 41 -5.657 2.675 10.951 306 H VAL 42 H VAL 42 -5.236 1.031 10.018 307 HA VAL 42 HA VAL 42 -5.897 1.064 7.208 308 HB VAL 42 HB VAL 42 -5.997 -1.415 9.007 309 1HG1 VAL 42 11HG VAL 42 -6.687 -2.634 6.981 310 2HG1 VAL 42 12HG VAL 42 -6.721 -1.079 6.125 311 3HG1 VAL 42 13HG VAL 42 -7.833 -1.372 7.460 312 1HG2 VAL 42 21HG VAL 42 -4.353 -2.397 7.512 313 2HG2 VAL 42 22HG VAL 42 -3.725 -0.928 8.263 314 3HG2 VAL 42 23HG VAL 42 -4.284 -0.897 6.590 315 H THR 43 H THR 43 -8.229 0.813 6.928 316 HA THR 43 HA THR 43 -10.071 1.971 8.606 317 HB THR 43 HB THR 43 -10.493 1.270 6.225 318 HG1 THR 43 HG1 THR 43 -12.373 1.610 7.551 319 1HG2 THR 43 21HG THR 43 -10.610 -1.411 7.467 320 2HG2 THR 43 22HG THR 43 -9.428 -0.869 6.253 321 3HG2 THR 43 23HG THR 43 -11.137 -1.089 5.813 322 H GLU 44 H GLU 44 -11.453 1.105 10.220 323 HA GLU 44 HA GLU 44 -10.267 -0.597 12.044 324 1HB GLU 44 1HB GLU 44 -12.389 -0.431 13.235 325 2HB GLU 44 2HB GLU 44 -11.768 1.127 12.707 326 1HG GLU 44 1HG GLU 44 -13.264 0.992 10.769 327 2HG GLU 44 2HG GLU 44 -13.922 -0.486 11.444 328 H GLY 45 H GLY 45 -12.831 -1.238 9.710 329 1HA GLY 45 1HA GLY 45 -12.065 -3.880 9.438 330 2HA GLY 45 2HA GLY 45 -13.468 -3.846 10.539 331 H GLY 46 H GLY 46 -12.550 -1.963 7.668 332 1HA GLY 46 1HA GLY 46 -15.031 -2.683 6.503 333 2HA GLY 46 2HA GLY 46 -13.846 -1.514 5.887 334 H ALA 47 H ALA 47 -14.189 -2.661 4.009 335 HA ALA 47 HA ALA 47 -13.819 -5.377 3.608 336 1HB ALA 47 1HB ALA 47 -13.822 -5.055 1.314 337 2HB ALA 47 2HB ALA 47 -13.010 -3.526 1.518 338 3HB ALA 47 3HB ALA 47 -14.730 -3.654 1.956 339 H ALA 48 H ALA 48 -11.320 -3.199 4.233 340 HA ALA 48 HA ALA 48 -9.217 -4.545 2.780 341 1HB ALA 48 1HB ALA 48 -7.680 -3.067 3.981 342 2HB ALA 48 2HB ALA 48 -8.993 -2.539 5.028 343 3HB ALA 48 3HB ALA 48 -9.025 -2.140 3.311 344 H GLN 49 H GLN 49 -9.833 -4.122 6.330 345 HA GLN 49 HA GLN 49 -8.282 -6.386 6.862 346 1HB GLN 49 1HB GLN 49 -10.135 -4.753 8.573 347 2HB GLN 49 2HB GLN 49 -9.365 -6.208 9.213 348 1HG GLN 49 1HG GLN 49 -7.175 -5.167 8.443 349 2HG GLN 49 2HG GLN 49 -8.113 -3.690 8.214 350 1HE2 GLN 49 21HE GLN 49 -8.820 -2.559 10.024 351 2HE2 GLN 49 22HE GLN 49 -8.268 -2.937 11.590 352 H ARG 50 H ARG 50 -11.606 -6.032 6.029 353 HA ARG 50 HA ARG 50 -12.487 -8.570 6.853 354 1HB ARG 50 1HB ARG 50 -13.375 -6.904 4.524 355 2HB ARG 50 2HB ARG 50 -14.189 -8.370 5.026 356 1HG ARG 50 1HG ARG 50 -13.769 -6.043 6.835 357 2HG ARG 50 2HG ARG 50 -15.230 -6.224 5.844 358 1HD ARG 50 1HD ARG 50 -15.676 -8.339 6.973 359 2HD ARG 50 2HD ARG 50 -14.208 -8.149 7.925 360 HE ARG 50 HE ARG 50 -15.239 -6.097 8.813 361 1HH1 ARG 50 11HH ARG 50 -17.362 -8.601 7.457 362 2HH1 ARG 50 12HH ARG 50 -18.638 -8.308 8.536 363 1HH2 ARG 50 21HH ARG 50 -17.039 -5.696 10.302 364 2HH2 ARG 50 22HH ARG 50 -18.463 -6.618 10.162 365 H ASP 51 H ASP 51 -10.815 -7.411 3.944 366 HA ASP 51 HA ASP 51 -10.926 -9.726 2.397 367 1HB ASP 51 1HB ASP 51 -10.038 -7.618 1.512 368 2HB ASP 51 2HB ASP 51 -8.647 -7.710 2.581 369 H GLY 52 H GLY 52 -8.238 -8.719 4.473 370 1HA GLY 52 1HA GLY 52 -7.474 -10.177 6.220 371 2HA GLY 52 2HA GLY 52 -7.976 -11.546 5.241 372 H ARG 53 H ARG 53 -6.608 -10.098 2.863 373 HA ARG 53 HA ARG 53 -4.022 -11.357 3.269 374 1HB ARG 53 1HB ARG 53 -5.376 -11.217 1.089 375 2HB ARG 53 2HB ARG 53 -4.887 -9.546 1.012 376 1HG ARG 53 1HG ARG 53 -2.920 -11.837 1.051 377 2HG ARG 53 2HG ARG 53 -3.613 -11.199 -0.422 378 1HD ARG 53 1HD ARG 53 -1.674 -10.077 -0.388 379 2HD ARG 53 2HD ARG 53 -2.644 -8.925 0.525 380 HE ARG 53 HE ARG 53 -1.002 -10.909 1.930 381 1HH1 ARG 53 11HH ARG 53 -1.581 -7.490 1.113 382 2HH1 ARG 53 12HH ARG 53 -0.484 -6.927 2.317 383 1HH2 ARG 53 21HH ARG 53 0.677 -10.010 3.444 384 2HH2 ARG 53 22HH ARG 53 0.846 -8.316 3.520 385 H ILE 54 H ILE 54 -5.118 -8.083 2.557 386 HA ILE 54 HA ILE 54 -2.542 -6.978 3.031 387 HB ILE 54 HB ILE 54 -4.294 -5.981 1.482 388 1HG1 ILE 54 11HG ILE 54 -3.249 -4.075 3.590 389 2HG1 ILE 54 12HG ILE 54 -2.262 -4.745 2.297 390 1HG2 ILE 54 21HG ILE 54 -6.245 -6.147 2.920 391 2HG2 ILE 54 22HG ILE 54 -5.956 -4.429 2.579 392 3HG2 ILE 54 23HG ILE 54 -5.450 -5.140 4.124 393 1HD1 ILE 54 11HD ILE 54 -4.706 -3.038 1.904 394 2HD1 ILE 54 12HD ILE 54 -3.624 -3.651 0.640 395 3HD1 ILE 54 13HD ILE 54 -3.029 -2.478 1.807 396 H GLN 55 H GLN 55 -1.760 -5.902 4.779 397 HA GLN 55 HA GLN 55 -3.535 -5.708 7.042 398 1HB GLN 55 1HB GLN 55 -0.835 -7.054 7.106 399 2HB GLN 55 2HB GLN 55 -1.633 -6.488 8.561 400 1HG GLN 55 1HG GLN 55 -2.796 -8.505 6.653 401 2HG GLN 55 2HG GLN 55 -1.897 -8.919 8.110 402 1HE2 GLN 55 21HE GLN 55 -3.597 -9.950 9.086 403 2HE2 GLN 55 22HE GLN 55 -5.006 -9.136 9.657 404 H VAL 56 H VAL 56 -2.304 -4.562 8.901 405 HA VAL 56 HA VAL 56 -1.481 -1.981 7.904 406 HB VAL 56 HB VAL 56 -3.079 -2.367 9.809 407 1HG1 VAL 56 11HG VAL 56 -2.215 -2.797 12.061 408 2HG1 VAL 56 12HG VAL 56 -0.642 -3.177 11.350 409 3HG1 VAL 56 13HG VAL 56 -2.046 -4.165 10.959 410 1HG2 VAL 56 21HG VAL 56 -0.693 -0.623 10.438 411 2HG2 VAL 56 22HG VAL 56 -2.261 -0.506 11.236 412 3HG2 VAL 56 23HG VAL 56 -2.119 -0.146 9.522 413 H ASN 57 H ASN 57 0.306 -4.354 7.635 414 HA ASN 57 HA ASN 57 2.697 -3.167 8.871 415 1HB ASN 57 1HB ASN 57 1.817 -5.171 10.189 416 2HB ASN 57 2HB ASN 57 2.192 -6.157 8.787 417 1HD2 ASN 57 21HD ASN 57 3.505 -4.231 11.375 418 2HD2 ASN 57 22HD ASN 57 5.103 -4.878 11.304 419 H ASP 58 H ASP 58 1.234 -3.513 6.174 420 HA ASP 58 HA ASP 58 3.306 -4.831 4.609 421 1HB ASP 58 1HB ASP 58 0.602 -3.722 3.867 422 2HB ASP 58 2HB ASP 58 1.780 -4.246 2.671 423 H GLN 59 H GLN 59 3.480 -3.568 2.361 424 HA GLN 59 HA GLN 59 4.053 -0.772 2.892 425 1HB GLN 59 1HB GLN 59 6.164 -1.912 3.140 426 2HB GLN 59 2HB GLN 59 5.892 -2.817 1.654 427 1HG GLN 59 1HG GLN 59 6.138 -0.866 0.335 428 2HG GLN 59 2HG GLN 59 6.140 0.168 1.758 429 1HE2 GLN 59 21HE GLN 59 7.936 0.273 3.003 430 2HE2 GLN 59 22HE GLN 59 9.485 -0.236 2.407 431 H ILE 60 H ILE 60 3.235 0.487 1.305 432 HA ILE 60 HA ILE 60 1.765 -0.755 -0.862 433 HB ILE 60 HB ILE 60 2.247 2.198 -0.403 434 1HG1 ILE 60 11HG ILE 60 1.114 1.313 1.597 435 2HG1 ILE 60 12HG ILE 60 0.002 2.255 0.603 436 1HG2 ILE 60 21HG ILE 60 1.513 1.439 -2.641 437 2HG2 ILE 60 22HG ILE 60 0.387 2.543 -1.868 438 3HG2 ILE 60 23HG ILE 60 0.045 0.807 -1.898 439 1HD1 ILE 60 11HD ILE 60 0.142 -0.740 0.720 440 2HD1 ILE 60 12HD ILE 60 -0.964 0.206 -0.273 441 3HD1 ILE 60 13HD ILE 60 -1.079 0.275 1.488 442 H VAL 61 H VAL 61 2.820 -1.334 -2.676 443 HA VAL 61 HA VAL 61 5.260 0.104 -3.393 444 HB VAL 61 HB VAL 61 4.132 -2.525 -4.391 445 1HG1 VAL 61 11HG VAL 61 6.229 -2.933 -5.417 446 2HG1 VAL 61 12HG VAL 61 6.810 -1.312 -4.985 447 3HG1 VAL 61 13HG VAL 61 5.457 -1.513 -6.124 448 1HG2 VAL 61 21HG VAL 61 4.869 -2.627 -2.090 449 2HG2 VAL 61 22HG VAL 61 6.444 -1.974 -2.541 450 3HG2 VAL 61 23HG VAL 61 5.940 -3.559 -3.131 451 H GLU 62 H GLU 62 2.260 -0.979 -4.902 452 HA GLU 62 HA GLU 62 2.259 1.356 -6.663 453 1HB GLU 62 1HB GLU 62 3.439 -0.166 -8.048 454 2HB GLU 62 2HB GLU 62 2.369 -1.498 -7.743 455 1HG GLU 62 1HG GLU 62 0.558 -0.133 -8.867 456 2HG GLU 62 2HG GLU 62 1.843 0.985 -9.317 457 H VAL 63 H VAL 63 0.229 2.185 -6.288 458 HA VAL 63 HA VAL 63 -1.893 0.215 -6.020 459 HB VAL 63 HB VAL 63 -1.465 2.887 -4.715 460 1HG1 VAL 63 11HG VAL 63 -3.579 3.180 -5.939 461 2HG1 VAL 63 12HG VAL 63 -3.866 3.058 -4.196 462 3HG1 VAL 63 13HG VAL 63 -4.194 1.674 -5.252 463 1HG2 VAL 63 21HG VAL 63 -2.728 0.307 -3.869 464 2HG2 VAL 63 22HG VAL 63 -2.325 1.667 -2.826 465 3HG2 VAL 63 23HG VAL 63 -1.044 0.734 -3.624 466 H ASP 64 H ASP 64 -3.244 -0.010 -7.559 467 HA ASP 64 HA ASP 64 -4.706 0.356 -9.237 468 1HB ASP 64 1HB ASP 64 -5.386 2.363 -7.930 469 2HB ASP 64 2HB ASP 64 -4.190 3.314 -8.786 470 H GLY 65 H GLY 65 -1.653 0.728 -9.459 471 1HA GLY 65 1HA GLY 65 -0.319 0.409 -11.377 472 2HA GLY 65 2HA GLY 65 -1.642 1.044 -12.350 473 H ILE 66 H ILE 66 -0.964 2.931 -9.568 474 HA ILE 66 HA ILE 66 -0.045 5.055 -11.202 475 HB ILE 66 HB ILE 66 -1.392 5.181 -8.882 476 1HG1 ILE 66 11HG ILE 66 0.836 7.133 -9.488 477 2HG1 ILE 66 12HG ILE 66 -0.694 7.075 -10.357 478 1HG2 ILE 66 21HG ILE 66 1.461 5.224 -7.968 479 2HG2 ILE 66 22HG ILE 66 0.216 4.066 -7.489 480 3HG2 ILE 66 23HG ILE 66 0.091 5.766 -7.006 481 1HD1 ILE 66 11HD ILE 66 -1.864 7.544 -8.276 482 2HD1 ILE 66 12HD ILE 66 -0.725 8.828 -8.713 483 3HD1 ILE 66 13HD ILE 66 -0.309 7.657 -7.449 484 H SER 67 H SER 67 1.454 2.697 -9.253 485 HA SER 67 HA SER 67 3.557 2.118 -8.659 486 1HB SER 67 1HB SER 67 3.796 1.915 -11.160 487 2HB SER 67 2HB SER 67 4.405 3.580 -11.149 488 HG SER 67 HG SER 67 6.254 2.914 -10.399 489 H LEU 68 H LEU 68 3.915 3.135 -6.814 490 HA LEU 68 HA LEU 68 4.779 5.932 -6.921 491 1HB LEU 68 1HB LEU 68 4.110 5.987 -4.561 492 2HB LEU 68 2HB LEU 68 2.787 5.593 -5.639 493 HG LEU 68 HG LEU 68 4.092 3.212 -4.673 494 1HD1 LEU 68 11HD LEU 68 3.380 3.415 -2.348 495 2HD1 LEU 68 12HD LEU 68 2.962 5.118 -2.639 496 3HD1 LEU 68 13HD LEU 68 4.637 4.568 -2.805 497 1HD2 LEU 68 21HD LEU 68 1.935 3.364 -5.748 498 2HD2 LEU 68 22HD LEU 68 1.292 4.282 -4.375 499 3HD2 LEU 68 23HD LEU 68 1.825 2.605 -4.167 500 H VAL 69 H VAL 69 6.192 3.397 -7.252 501 HA VAL 69 HA VAL 69 7.916 2.789 -5.185 502 HB VAL 69 HB VAL 69 8.692 2.720 -8.089 503 1HG1 VAL 69 11HG VAL 69 10.528 2.311 -6.544 504 2HG1 VAL 69 12HG VAL 69 10.123 0.854 -7.443 505 3HG1 VAL 69 13HG VAL 69 9.605 1.023 -5.765 506 1HG2 VAL 69 21HG VAL 69 7.802 0.408 -8.115 507 2HG2 VAL 69 22HG VAL 69 6.552 1.619 -7.889 508 3HG2 VAL 69 23HG VAL 69 7.123 0.674 -6.508 509 H GLY 70 H GLY 70 8.694 4.489 -4.098 510 1HA GLY 70 1HA GLY 70 10.859 5.515 -3.697 511 2HA GLY 70 2HA GLY 70 10.903 5.962 -5.393 512 H VAL 71 H VAL 71 7.828 6.489 -4.114 513 HA VAL 71 HA VAL 71 8.260 9.339 -4.242 514 HB VAL 71 HB VAL 71 5.870 9.594 -3.991 515 1HG1 VAL 71 11HG VAL 71 6.681 9.052 -6.199 516 2HG1 VAL 71 12HG VAL 71 5.097 8.327 -5.923 517 3HG1 VAL 71 13HG VAL 71 6.548 7.329 -5.842 518 1HG2 VAL 71 21HG VAL 71 5.518 7.877 -2.264 519 2HG2 VAL 71 22HG VAL 71 5.772 6.614 -3.462 520 3HG2 VAL 71 23HG VAL 71 4.382 7.703 -3.599 521 H THR 72 H THR 72 6.760 10.572 -2.512 522 HA THR 72 HA THR 72 7.835 9.941 0.117 523 HB THR 72 HB THR 72 6.807 12.207 0.611 524 HG1 THR 72 HG1 THR 72 6.976 12.997 -1.991 525 1HG2 THR 72 21HG THR 72 8.692 13.425 -0.425 526 2HG2 THR 72 22HG THR 72 9.012 12.035 -1.464 527 3HG2 THR 72 23HG THR 72 9.218 11.898 0.281 528 H GLN 73 H GLN 73 6.351 10.568 1.833 529 HA GLN 73 HA GLN 73 4.162 8.887 1.872 530 1HB GLN 73 1HB GLN 73 3.804 9.632 4.109 531 2HB GLN 73 2HB GLN 73 5.517 9.658 3.798 532 1HG GLN 73 1HG GLN 73 3.668 11.944 3.866 533 2HG GLN 73 2HG GLN 73 4.831 11.545 5.136 534 1HE2 GLN 73 21HE GLN 73 7.137 11.467 4.344 535 2HE2 GLN 73 22HE GLN 73 7.605 12.670 3.216 536 H ASN 74 H ASN 74 4.366 12.291 1.144 537 HA ASN 74 HA ASN 74 1.576 12.651 1.281 538 1HB ASN 74 1HB ASN 74 1.895 14.856 0.264 539 2HB ASN 74 2HB ASN 74 3.068 14.590 1.544 540 1HD2 ASN 74 21HD ASN 74 5.232 14.543 1.021 541 2HD2 ASN 74 22HD ASN 74 5.805 14.976 -0.537 542 H PHE 75 H PHE 75 3.713 11.674 -1.299 543 HA PHE 75 HA PHE 75 1.728 11.919 -3.328 544 1HB PHE 75 1HB PHE 75 4.175 11.690 -3.851 545 2HB PHE 75 2HB PHE 75 4.085 10.033 -3.255 546 HD1 PHE 75 HD1 PHE 75 3.538 12.201 -6.069 547 HD2 PHE 75 HD2 PHE 75 2.622 8.360 -4.491 548 HE1 PHE 75 HE1 PHE 75 2.860 11.439 -8.306 549 HE2 PHE 75 HE2 PHE 75 1.953 7.593 -6.707 550 HZ PHE 75 HZ PHE 75 2.069 9.132 -8.630 551 H ALA 76 H ALA 76 2.931 9.280 -1.299 552 HA ALA 76 HA ALA 76 1.168 7.317 -2.220 553 1HB ALA 76 1HB ALA 76 2.405 7.565 0.517 554 2HB ALA 76 2HB ALA 76 3.162 6.835 -0.903 555 3HB ALA 76 3HB ALA 76 1.719 6.102 -0.196 556 H ALA 77 H ALA 77 0.823 9.614 0.471 557 HA ALA 77 HA ALA 77 -1.667 8.752 1.374 558 1HB ALA 77 1HB ALA 77 -0.603 11.580 1.318 559 2HB ALA 77 2HB ALA 77 -0.290 10.393 2.582 560 3HB ALA 77 3HB ALA 77 -1.929 10.994 2.321 561 H THR 78 H THR 78 -0.781 10.880 -1.271 562 HA THR 78 HA THR 78 -3.378 11.701 -1.904 563 HB THR 78 HB THR 78 -0.859 11.593 -3.576 564 HG1 THR 78 HG1 THR 78 -0.567 13.060 -2.009 565 1HG2 THR 78 21HG THR 78 -3.474 13.021 -4.134 566 2HG2 THR 78 22HG THR 78 -2.839 11.648 -5.040 567 3HG2 THR 78 23HG THR 78 -1.993 13.197 -5.079 568 H VAL 79 H VAL 79 -1.347 9.082 -3.334 569 HA VAL 79 HA VAL 79 -3.393 8.260 -5.004 570 HB VAL 79 HB VAL 79 -1.190 7.562 -5.628 571 1HG1 VAL 79 11HG VAL 79 -1.236 6.025 -3.172 572 2HG1 VAL 79 12HG VAL 79 -0.397 7.543 -3.520 573 3HG1 VAL 79 13HG VAL 79 0.088 6.040 -4.389 574 1HG2 VAL 79 21HG VAL 79 -2.851 5.212 -4.830 575 2HG2 VAL 79 22HG VAL 79 -1.508 5.160 -5.966 576 3HG2 VAL 79 23HG VAL 79 -2.966 6.101 -6.347 577 H LEU 80 H LEU 80 -2.542 7.064 -1.785 578 HA LEU 80 HA LEU 80 -4.510 5.019 -1.775 579 1HB LEU 80 1HB LEU 80 -2.933 6.310 0.426 580 2HB LEU 80 2HB LEU 80 -4.247 5.228 0.813 581 HG LEU 80 HG LEU 80 -2.229 3.992 0.983 582 1HD1 LEU 80 11HD LEU 80 -4.111 2.839 -0.030 583 2HD1 LEU 80 12HD LEU 80 -2.551 2.198 -0.542 584 3HD1 LEU 80 13HD LEU 80 -3.476 3.227 -1.631 585 1HD2 LEU 80 21HD LEU 80 -0.832 5.475 -0.458 586 2HD2 LEU 80 22HD LEU 80 -1.544 4.651 -1.865 587 3HD2 LEU 80 23HD LEU 80 -0.588 3.751 -0.694 588 H ARG 81 H ARG 81 -4.712 8.381 -1.117 589 HA ARG 81 HA ARG 81 -7.332 8.091 0.041 590 1HB ARG 81 1HB ARG 81 -6.140 9.804 1.071 591 2HB ARG 81 2HB ARG 81 -5.456 10.356 -0.441 592 1HG ARG 81 1HG ARG 81 -8.367 10.727 -0.032 593 2HG ARG 81 2HG ARG 81 -7.257 11.751 0.892 594 1HD ARG 81 1HD ARG 81 -6.147 12.396 -1.191 595 2HD ARG 81 2HD ARG 81 -7.279 11.397 -2.098 596 HE ARG 81 HE ARG 81 -8.972 12.949 -0.919 597 1HH1 ARG 81 11HH ARG 81 -5.775 13.968 -2.111 598 2HH1 ARG 81 12HH ARG 81 -6.318 15.444 -2.722 599 1HH2 ARG 81 21HH ARG 81 -9.694 15.027 -1.749 600 2HH2 ARG 81 22HH ARG 81 -8.589 16.070 -2.512 601 H ASN 82 H ASN 82 -6.024 8.553 -3.080 602 HA ASN 82 HA ASN 82 -8.501 9.547 -4.203 603 1HB ASN 82 1HB ASN 82 -5.804 9.072 -5.299 604 2HB ASN 82 2HB ASN 82 -7.164 8.985 -6.422 605 1HD2 ASN 82 21HD ASN 82 -5.392 10.980 -4.254 606 2HD2 ASN 82 22HD ASN 82 -6.047 12.488 -4.818 607 H THR 83 H THR 83 -7.742 6.700 -3.132 608 HA THR 83 HA THR 83 -8.324 4.944 -5.246 609 HB THR 83 HB THR 83 -8.681 3.308 -3.368 610 HG1 THR 83 HG1 THR 83 -7.583 4.988 -1.483 611 1HG2 THR 83 21HG THR 83 -6.480 3.616 -4.454 612 2HG2 THR 83 22HG THR 83 -6.275 3.282 -2.748 613 3HG2 THR 83 23HG THR 83 -6.119 4.932 -3.348 614 H LYS 84 H LYS 84 -10.119 3.258 -4.710 615 HA LYS 84 HA LYS 84 -12.621 4.284 -3.879 616 1HB LYS 84 1HB LYS 84 -13.560 3.552 -6.265 617 2HB LYS 84 2HB LYS 84 -12.990 5.181 -5.990 618 1HG LYS 84 1HG LYS 84 -12.175 4.490 -8.113 619 2HG LYS 84 2HG LYS 84 -10.807 4.502 -7.016 620 1HD LYS 84 1HD LYS 84 -10.977 2.066 -6.793 621 2HD LYS 84 2HD LYS 84 -12.354 2.064 -7.894 622 1HE LYS 84 1HE LYS 84 -9.549 2.976 -8.568 623 2HE LYS 84 2HE LYS 84 -10.285 1.458 -9.068 624 1HZ LYS 84 1HZ LYS 84 -11.936 2.751 -10.298 625 2HZ LYS 84 2HZ LYS 84 -10.367 3.092 -10.836 626 3HZ LYS 84 3HZ LYS 84 -11.177 4.183 -9.854 627 H GLY 85 H GLY 85 -14.087 2.187 -5.207 628 1HA GLY 85 1HA GLY 85 -13.808 0.142 -3.354 629 2HA GLY 85 2HA GLY 85 -14.619 -0.018 -4.901 630 H ASN 86 H ASN 86 -13.193 -0.520 -6.765 631 HA ASN 86 HA ASN 86 -11.513 -2.746 -6.026 632 1HB ASN 86 1HB ASN 86 -12.209 -1.648 -8.752 633 2HB ASN 86 2HB ASN 86 -11.273 -3.113 -8.474 634 1HD2 ASN 86 21HD ASN 86 -12.315 -4.951 -7.727 635 2HD2 ASN 86 22HD ASN 86 -14.028 -5.095 -7.671 636 H VAL 87 H VAL 87 -9.548 -2.467 -5.442 637 HA VAL 87 HA VAL 87 -7.861 -0.532 -6.880 638 HB VAL 87 HB VAL 87 -7.936 -1.025 -3.911 639 1HG1 VAL 87 11HG VAL 87 -6.151 0.679 -3.817 640 2HG1 VAL 87 12HG VAL 87 -6.051 0.588 -5.598 641 3HG1 VAL 87 13HG VAL 87 -5.753 -0.856 -4.602 642 1HG2 VAL 87 21HG VAL 87 -8.479 1.469 -5.508 643 2HG2 VAL 87 22HG VAL 87 -8.475 1.319 -3.744 644 3HG2 VAL 87 23HG VAL 87 -9.681 0.456 -4.704 645 H ARG 88 H ARG 88 -6.066 -1.508 -7.684 646 HA ARG 88 HA ARG 88 -5.252 -4.048 -6.487 647 1HB ARG 88 1HB ARG 88 -4.163 -2.633 -8.905 648 2HB ARG 88 2HB ARG 88 -3.463 -4.091 -8.223 649 1HG ARG 88 1HG ARG 88 -4.738 -5.060 -9.770 650 2HG ARG 88 2HG ARG 88 -5.960 -4.928 -8.524 651 1HD ARG 88 1HD ARG 88 -6.830 -4.162 -10.648 652 2HD ARG 88 2HD ARG 88 -6.763 -2.835 -9.482 653 HE ARG 88 HE ARG 88 -4.388 -2.791 -10.870 654 1HH1 ARG 88 11HH ARG 88 -7.806 -2.436 -11.688 655 2HH1 ARG 88 12HH ARG 88 -7.540 -1.382 -12.997 656 1HH2 ARG 88 21HH ARG 88 -4.015 -1.332 -12.718 657 2HH2 ARG 88 22HH ARG 88 -5.350 -0.760 -13.583 658 H PHE 89 H PHE 89 -4.221 -3.861 -4.714 659 HA PHE 89 HA PHE 89 -2.203 -1.793 -4.370 660 1HB PHE 89 1HB PHE 89 -3.091 -3.999 -2.503 661 2HB PHE 89 2HB PHE 89 -1.933 -2.729 -2.155 662 HD1 PHE 89 HD1 PHE 89 -5.442 -3.492 -2.764 663 HD2 PHE 89 HD2 PHE 89 -2.630 -0.596 -1.529 664 HE1 PHE 89 HE1 PHE 89 -7.278 -2.071 -1.894 665 HE2 PHE 89 HE2 PHE 89 -4.437 0.810 -0.643 666 HZ PHE 89 HZ PHE 89 -6.753 0.075 -0.826 667 H VAL 90 H VAL 90 -0.515 -2.426 -5.634 668 HA VAL 90 HA VAL 90 0.370 -5.168 -5.447 669 HB VAL 90 HB VAL 90 1.681 -2.822 -6.777 670 1HG1 VAL 90 11HG VAL 90 2.212 -5.791 -7.077 671 2HG1 VAL 90 12HG VAL 90 3.259 -4.623 -6.269 672 3HG1 VAL 90 13HG VAL 90 3.009 -4.523 -8.011 673 1HG2 VAL 90 21HG VAL 90 -0.023 -4.974 -8.019 674 2HG2 VAL 90 22HG VAL 90 0.833 -3.707 -8.903 675 3HG2 VAL 90 23HG VAL 90 -0.472 -3.285 -7.793 676 H ILE 91 H ILE 91 0.850 -5.391 -3.487 677 HA ILE 91 HA ILE 91 2.989 -3.818 -2.284 678 HB ILE 91 HB ILE 91 0.757 -5.546 -1.251 679 1HG1 ILE 91 11HG ILE 91 1.408 -2.663 -0.760 680 2HG1 ILE 91 12HG ILE 91 0.243 -3.242 -1.944 681 1HG2 ILE 91 21HG ILE 91 2.729 -6.027 0.125 682 2HG2 ILE 91 22HG ILE 91 1.454 -5.210 1.012 683 3HG2 ILE 91 23HG ILE 91 2.883 -4.303 0.493 684 1HD1 ILE 91 11HD ILE 91 -0.771 -2.436 -0.016 685 2HD1 ILE 91 12HD ILE 91 0.103 -3.627 0.992 686 3HD1 ILE 91 13HD ILE 91 -1.062 -4.167 -0.262 687 H GLY 92 H GLY 92 4.618 -5.041 -1.251 688 1HA GLY 92 1HA GLY 92 4.773 -7.755 -2.280 689 2HA GLY 92 2HA GLY 92 6.210 -6.733 -2.191 690 H ARG 93 H ARG 93 5.916 -9.220 -0.883 691 HA ARG 93 HA ARG 93 6.115 -8.301 1.886 692 1HB ARG 93 1HB ARG 93 3.852 -9.355 1.236 693 2HB ARG 93 2HB ARG 93 4.726 -10.864 1.102 694 1HG ARG 93 1HG ARG 93 4.723 -9.299 3.657 695 2HG ARG 93 2HG ARG 93 3.379 -10.345 3.230 696 1HD ARG 93 1HD ARG 93 4.991 -12.229 3.054 697 2HD ARG 93 2HD ARG 93 6.261 -11.143 3.624 698 HE ARG 93 HE ARG 93 3.999 -11.162 5.335 699 1HH1 ARG 93 11HH ARG 93 6.964 -12.957 4.579 700 2HH1 ARG 93 12HH ARG 93 7.062 -13.732 6.074 701 1HH2 ARG 93 21HH ARG 93 4.159 -12.218 7.430 702 2HH2 ARG 93 22HH ARG 93 5.441 -13.280 7.755 703 H GLU 94 H GLU 94 7.515 -9.567 3.163 704 HA GLU 94 HA GLU 94 9.757 -10.628 1.882 705 1HB GLU 94 1HB GLU 94 10.370 -11.348 4.255 706 2HB GLU 94 2HB GLU 94 10.111 -9.631 4.004 707 1HG GLU 94 1HG GLU 94 7.892 -9.796 4.993 708 2HG GLU 94 2HG GLU 94 8.083 -11.535 5.170
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