NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
634956 | 5z4f | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 1HT MET 1 -3.415 15.522 6.077 2 HA MET 1 HA MET 1 -3.969 12.763 6.361 3 HB2 MET 1 2HB MET 1 -1.909 13.122 7.952 4 HB3 MET 1 1HB MET 1 -1.716 13.371 6.216 5 HG2 MET 1 2HG MET 1 -1.549 15.654 6.421 6 HG3 MET 1 1HG MET 1 -2.620 15.712 7.820 7 HE1 MET 1 1HE MET 1 0.631 16.840 6.990 8 HE2 MET 1 2HE MET 1 0.770 15.206 6.346 9 HE3 MET 1 3HE MET 1 1.838 15.727 7.648 10 HA PRO 2 HA PRO 2 -6.247 14.313 10.208 11 HB2 PRO 2 2HB PRO 2 -8.557 12.880 9.683 12 HB3 PRO 2 1HB PRO 2 -8.305 14.587 9.274 13 HG2 PRO 2 2HG PRO 2 -8.177 12.186 7.546 14 HG3 PRO 2 1HG PRO 2 -8.691 13.836 7.158 15 HD2 PRO 2 2HD PRO 2 -6.256 12.790 6.423 16 HD3 PRO 2 1HD PRO 2 -6.549 14.528 6.666 17 H GLU 3 H GLU 3 -6.676 13.033 12.070 18 HA GLU 3 HA GLU 3 -5.232 10.577 12.277 19 HB2 GLU 3 2HB GLU 3 -7.385 11.755 14.062 20 HB3 GLU 3 1HB GLU 3 -6.354 10.395 14.499 21 HG2 GLU 3 2HG GLU 3 -4.353 11.830 14.173 22 HG3 GLU 3 1HG GLU 3 -5.414 13.194 13.816 23 H GLU 4 H GLU 4 -8.565 11.317 11.490 24 HA GLU 4 HA GLU 4 -9.317 8.453 11.637 25 HB2 GLU 4 2HB GLU 4 -10.851 10.231 12.515 26 HB3 GLU 4 1HB GLU 4 -11.007 10.832 10.866 27 HG2 GLU 4 2HG GLU 4 -11.829 8.592 10.154 28 HG3 GLU 4 1HG GLU 4 -11.762 8.063 11.838 29 H ILE 5 H ILE 5 -9.777 7.233 9.809 30 HA ILE 5 HA ILE 5 -9.246 8.552 7.179 31 HB ILE 5 HB ILE 5 -8.911 5.640 7.296 32 HG12 ILE 5 2HG1 ILE 5 -8.092 6.247 9.550 33 HG13 ILE 5 1HG1 ILE 5 -6.796 5.690 8.503 34 HG21 ILE 5 1HG2 ILE 5 -7.194 7.946 6.382 35 HG22 ILE 5 2HG2 ILE 5 -8.257 6.968 5.370 36 HG23 ILE 5 3HG2 ILE 5 -6.827 6.245 6.108 37 HD11 ILE 5 1HD1 ILE 5 -7.183 8.530 8.201 38 HD12 ILE 5 2HD1 ILE 5 -5.731 7.649 8.676 39 HD13 ILE 5 3HD1 ILE 5 -6.912 8.125 9.895 40 HA PRO 6 HA PRO 6 -13.529 6.897 6.951 41 HB2 PRO 6 2HB PRO 6 -14.522 8.888 5.347 42 HB3 PRO 6 1HB PRO 6 -14.447 8.997 7.116 43 HG2 PRO 6 2HG PRO 6 -12.757 10.285 5.073 44 HG3 PRO 6 1HG PRO 6 -13.179 10.827 6.703 45 HD2 PRO 6 2HD PRO 6 -10.738 9.671 5.936 46 HD3 PRO 6 1HD PRO 6 -11.309 9.876 7.605 47 H ASP 7 H ASP 7 -14.832 6.241 4.971 48 HA ASP 7 HA ASP 7 -13.155 4.963 3.049 49 HB2 ASP 7 2HB ASP 7 -15.314 4.498 1.866 50 HB3 ASP 7 1HB ASP 7 -15.361 4.079 3.577 51 H VAL 8 H VAL 8 -12.224 5.791 1.265 52 HA VAL 8 HA VAL 8 -13.542 8.046 -0.147 53 HB VAL 8 HB VAL 8 -11.828 9.053 1.340 54 HG11 VAL 8 1HG1 VAL 8 -9.423 8.595 0.809 55 HG12 VAL 8 2HG1 VAL 8 -9.939 7.256 -0.212 56 HG13 VAL 8 3HG1 VAL 8 -10.255 7.217 1.521 57 HG21 VAL 8 1HG2 VAL 8 -11.199 9.065 -1.626 58 HG22 VAL 8 2HG2 VAL 8 -10.568 10.240 -0.471 59 HG23 VAL 8 3HG2 VAL 8 -12.303 10.148 -0.778 60 H ARG 9 H ARG 9 -13.285 7.932 -2.396 61 HA ARG 9 HA ARG 9 -11.633 5.635 -3.388 62 HB2 ARG 9 2HB ARG 9 -14.102 5.273 -3.578 63 HB3 ARG 9 1HB ARG 9 -14.195 6.708 -4.602 64 HG2 ARG 9 2HG ARG 9 -12.599 5.661 -6.187 65 HG3 ARG 9 1HG ARG 9 -12.571 4.213 -5.180 66 HD2 ARG 9 2HD ARG 9 -15.041 4.002 -5.489 67 HD3 ARG 9 1HD ARG 9 -14.987 5.374 -6.597 68 HE ARG 9 HE ARG 9 -13.159 3.708 -7.728 69 HH11 ARG 9 1HH1 ARG 9 -13.638 1.999 -9.129 70 HH12 ARG 9 2HH1 ARG 9 -15.180 1.217 -9.024 71 HH21 ARG 9 1HH2 ARG 9 -16.315 3.219 -6.430 72 HH22 ARG 9 2HH2 ARG 9 -16.696 1.908 -7.496 73 H LYS 10 H LYS 10 -9.998 6.270 -4.692 74 HA LYS 10 HA LYS 10 -10.379 8.716 -6.358 75 HB2 LYS 10 2HB LYS 10 -7.932 8.050 -4.693 76 HB3 LYS 10 1HB LYS 10 -8.028 9.368 -5.864 77 HG2 LYS 10 2HG LYS 10 -9.957 10.307 -4.580 78 HG3 LYS 10 1HG LYS 10 -9.718 9.048 -3.368 79 HD2 LYS 10 2HD LYS 10 -7.382 9.857 -3.038 80 HD3 LYS 10 1HD LYS 10 -7.708 11.171 -4.169 81 HE2 LYS 10 2HE LYS 10 -9.844 11.277 -2.378 82 HE3 LYS 10 1HE LYS 10 -8.447 10.931 -1.358 83 HZ1 LYS 10 1HZ LYS 10 -8.122 12.963 -3.426 84 HZ2 LYS 10 2HZ LYS 10 -7.474 12.895 -1.857 85 HZ3 LYS 10 3HZ LYS 10 -9.087 13.374 -2.093 86 H SER 11 H SER 11 -9.306 8.638 -8.373 87 HA SER 11 HA SER 11 -7.766 6.160 -8.974 88 HB2 SER 11 2HB SER 11 -9.011 5.811 -11.036 89 HB3 SER 11 1HB SER 11 -10.150 5.859 -9.690 90 HG SER 11 HG SER 11 -9.777 7.614 -11.794 91 H VAL 12 H VAL 12 -6.260 6.429 -10.722 92 HA VAL 12 HA VAL 12 -6.075 9.038 -12.052 93 HB VAL 12 HB VAL 12 -4.779 8.762 -9.609 94 HG11 VAL 12 1HG1 VAL 12 -2.410 8.639 -10.079 95 HG12 VAL 12 2HG1 VAL 12 -2.705 8.531 -11.811 96 HG13 VAL 12 3HG1 VAL 12 -3.162 7.194 -10.751 97 HG21 VAL 12 1HG2 VAL 12 -3.482 10.806 -10.493 98 HG22 VAL 12 2HG2 VAL 12 -5.243 10.902 -10.514 99 HG23 VAL 12 3HG2 VAL 12 -4.361 10.555 -12.001 100 H VAL 13 H VAL 13 -4.466 9.001 -13.787 101 HA VAL 13 HA VAL 13 -3.873 6.217 -14.652 102 HB VAL 13 HB VAL 13 -3.875 8.778 -16.277 103 HG11 VAL 13 1HG1 VAL 13 -3.320 5.898 -16.852 104 HG12 VAL 13 2HG1 VAL 13 -2.579 7.343 -17.542 105 HG13 VAL 13 3HG1 VAL 13 -4.179 6.831 -18.078 106 HG21 VAL 13 1HG2 VAL 13 -5.984 6.748 -15.627 107 HG22 VAL 13 2HG2 VAL 13 -5.975 7.471 -17.235 108 HG23 VAL 13 3HG2 VAL 13 -6.135 8.495 -15.809 109 H VAL 14 H VAL 14 -1.772 5.563 -14.832 110 HA VAL 14 HA VAL 14 0.360 7.650 -14.642 111 HB VAL 14 HB VAL 14 1.648 6.111 -13.203 112 HG11 VAL 14 1HG1 VAL 14 -1.118 6.967 -12.383 113 HG12 VAL 14 2HG1 VAL 14 0.438 7.650 -11.910 114 HG13 VAL 14 3HG1 VAL 14 -0.086 6.104 -11.243 115 HG21 VAL 14 1HG2 VAL 14 1.103 3.929 -13.161 116 HG22 VAL 14 2HG2 VAL 14 -0.328 4.262 -14.136 117 HG23 VAL 14 3HG2 VAL 14 -0.424 4.337 -12.377 118 H ALA 15 H ALA 15 2.492 6.835 -15.498 119 HA ALA 15 HA ALA 15 2.026 5.343 -17.978 120 HB1 ALA 15 1HB ALA 15 4.749 6.144 -17.003 121 HB2 ALA 15 2HB ALA 15 3.622 7.388 -17.547 122 HB3 ALA 15 3HB ALA 15 4.125 6.110 -18.653 123 H ALA 16 H ALA 16 1.624 3.153 -17.319 124 HA ALA 16 HA ALA 16 3.944 1.531 -16.927 125 HB1 ALA 16 1HB ALA 16 2.737 2.625 -14.523 126 HB2 ALA 16 2HB ALA 16 4.215 1.678 -14.695 127 HB3 ALA 16 3HB ALA 16 2.660 0.863 -14.525 128 H SER 17 H SER 17 3.326 -0.780 -16.649 129 HA SER 17 HA SER 17 0.625 -1.281 -17.771 130 HB2 SER 17 2HB SER 17 1.480 -3.442 -18.446 131 HB3 SER 17 1HB SER 17 2.683 -2.239 -18.903 132 HG SER 17 HG SER 17 4.023 -3.186 -17.603 133 H VAL 18 H VAL 18 -0.688 -2.998 -16.727 134 HA VAL 18 HA VAL 18 -0.748 -2.775 -13.896 135 HB VAL 18 HB VAL 18 -2.323 -4.702 -14.003 136 HG11 VAL 18 1HG1 VAL 18 -4.001 -3.523 -15.244 137 HG12 VAL 18 2HG1 VAL 18 -2.788 -2.753 -16.263 138 HG13 VAL 18 3HG1 VAL 18 -2.930 -2.293 -14.569 139 HG21 VAL 18 1HG2 VAL 18 -2.855 -5.469 -16.394 140 HG22 VAL 18 2HG2 VAL 18 -1.355 -6.080 -15.696 141 HG23 VAL 18 3HG2 VAL 18 -1.311 -4.749 -16.852 142 H GLU 19 H GLU 19 0.683 -5.249 -16.000 143 HA GLU 19 HA GLU 19 1.462 -7.051 -13.931 144 HB2 GLU 19 2HB GLU 19 1.546 -7.556 -16.390 145 HB3 GLU 19 1HB GLU 19 2.944 -6.490 -16.508 146 HG2 GLU 19 2HG GLU 19 4.121 -7.892 -14.818 147 HG3 GLU 19 1HG GLU 19 2.744 -8.994 -14.815 148 H HIS 20 H HIS 20 2.972 -4.167 -15.297 149 HA HIS 20 HA HIS 20 5.459 -4.358 -13.894 150 HB2 HIS 20 2HB HIS 20 5.318 -2.780 -15.694 151 HB3 HIS 20 1HB HIS 20 3.920 -1.984 -14.968 152 HD1 HIS 20 1HD HIS 20 7.633 -2.183 -14.784 153 HD2 HIS 20 2HD HIS 20 4.547 -0.372 -12.626 154 HE1 HIS 20 1HE HIS 20 8.720 -0.525 -13.213 155 HE2 HIS 20 2HE HIS 20 6.854 0.596 -11.922 156 H CYS 21 H CYS 21 2.389 -2.763 -13.102 157 HA CYS 21 HA CYS 21 3.107 -1.456 -10.749 158 HB2 CYS 21 2HB CYS 21 0.575 -2.898 -11.532 159 HB3 CYS 21 1HB CYS 21 0.715 -2.026 -10.011 160 HG CYS 21 HG CYS 21 1.361 0.128 -11.539 161 H PHE 22 H PHE 22 2.136 -4.863 -11.126 162 HA PHE 22 HA PHE 22 2.658 -5.306 -8.286 163 HB2 PHE 22 2HB PHE 22 1.344 -6.796 -10.412 164 HB3 PHE 22 1HB PHE 22 2.342 -7.819 -9.364 165 HD1 PHE 22 1HD PHE 22 1.823 -8.127 -7.040 166 HD2 PHE 22 2HD PHE 22 -0.380 -5.316 -9.422 167 HE1 PHE 22 1HE PHE 22 0.215 -7.819 -5.177 168 HE2 PHE 22 2HE PHE 22 -1.994 -5.010 -7.577 169 HZ PHE 22 HZ PHE 22 -1.693 -6.252 -5.454 170 H GLU 23 H GLU 23 4.366 -5.849 -11.302 171 HA GLU 23 HA GLU 23 6.318 -7.661 -10.291 172 HB2 GLU 23 2HB GLU 23 6.119 -7.076 -12.695 173 HB3 GLU 23 1HB GLU 23 6.693 -5.452 -12.324 174 HG2 GLU 23 2HG GLU 23 8.796 -6.413 -11.427 175 HG3 GLU 23 1HG GLU 23 8.231 -8.022 -11.883 176 H VAL 24 H VAL 24 6.132 -4.119 -10.278 177 HA VAL 24 HA VAL 24 8.655 -3.746 -8.958 178 HB VAL 24 HB VAL 24 6.252 -1.900 -9.027 179 HG11 VAL 24 1HG1 VAL 24 9.197 -1.493 -8.451 180 HG12 VAL 24 2HG1 VAL 24 7.867 -1.288 -7.315 181 HG13 VAL 24 3HG1 VAL 24 8.046 -0.180 -8.679 182 HG21 VAL 24 1HG2 VAL 24 8.037 -0.899 -10.807 183 HG22 VAL 24 2HG2 VAL 24 6.752 -2.010 -11.270 184 HG23 VAL 24 3HG2 VAL 24 8.379 -2.619 -10.987 185 H PHE 25 H PHE 25 5.307 -4.023 -7.802 186 HA PHE 25 HA PHE 25 5.620 -3.300 -5.110 187 HB2 PHE 25 2HB PHE 25 3.901 -5.415 -6.406 188 HB3 PHE 25 1HB PHE 25 3.784 -5.028 -4.701 189 HD1 PHE 25 1HD PHE 25 4.656 -2.140 -6.740 190 HD2 PHE 25 2HD PHE 25 1.360 -4.540 -5.343 191 HE1 PHE 25 1HE PHE 25 3.098 -0.307 -7.235 192 HE2 PHE 25 2HE PHE 25 -0.187 -2.690 -5.852 193 HZ PHE 25 HZ PHE 25 0.685 -0.582 -6.792 194 H THR 26 H THR 26 6.142 -6.531 -6.535 195 HA THR 26 HA THR 26 7.116 -7.474 -3.930 196 HB THR 26 HB THR 26 7.341 -9.657 -5.101 197 HG1 THR 26 1HG THR 26 7.481 -9.554 -7.174 198 HG21 THR 26 1HG2 THR 26 4.873 -8.097 -4.786 199 HG22 THR 26 2HG2 THR 26 5.247 -9.732 -4.238 200 HG23 THR 26 3HG2 THR 26 4.717 -9.457 -5.898 201 H SER 27 H SER 27 8.513 -5.820 -6.484 202 HA SER 27 HA SER 27 11.096 -7.253 -6.209 203 HB2 SER 27 2HB SER 27 9.936 -5.416 -8.218 204 HB3 SER 27 1HB SER 27 11.677 -5.370 -8.004 205 HG SER 27 HG SER 27 10.287 -7.810 -8.251 206 H ARG 28 H ARG 28 9.797 -3.904 -5.707 207 HA ARG 28 HA ARG 28 11.642 -3.435 -3.552 208 HB2 ARG 28 2HB ARG 28 13.057 -1.713 -4.847 209 HB3 ARG 28 1HB ARG 28 13.438 -3.411 -5.080 210 HG2 ARG 28 2HG ARG 28 13.386 -2.555 -7.279 211 HG3 ARG 28 1HG ARG 28 11.803 -3.285 -7.105 212 HD2 ARG 28 2HD ARG 28 10.747 -1.194 -6.817 213 HD3 ARG 28 1HD ARG 28 12.275 -0.369 -6.508 214 HE ARG 28 HE ARG 28 11.194 -1.071 -9.141 215 HH11 ARG 28 1HH1 ARG 28 12.400 -0.295 -10.888 216 HH12 ARG 28 2HH1 ARG 28 13.996 0.321 -10.616 217 HH21 ARG 28 1HH2 ARG 28 13.922 -0.254 -7.197 218 HH22 ARG 28 2HH2 ARG 28 14.857 0.344 -8.526 219 HA PRO 29 HA PRO 29 8.265 -0.192 -4.573 220 HB2 PRO 29 2HB PRO 29 6.966 -0.581 -2.121 221 HB3 PRO 29 1HB PRO 29 6.429 -1.202 -3.691 222 HG2 PRO 29 2HG PRO 29 7.852 -2.579 -1.501 223 HG3 PRO 29 1HG PRO 29 6.691 -3.215 -2.673 224 HD2 PRO 29 2HD PRO 29 9.371 -3.708 -2.865 225 HD3 PRO 29 1HD PRO 29 8.315 -3.598 -4.278 226 H ALA 30 H ALA 30 10.141 -1.001 -1.678 227 HA ALA 30 HA ALA 30 9.940 1.652 -0.513 228 HB1 ALA 30 1HB ALA 30 11.844 -0.647 -0.014 229 HB2 ALA 30 2HB ALA 30 10.434 -0.205 0.946 230 HB3 ALA 30 3HB ALA 30 11.848 0.845 0.922 231 H ASP 31 H ASP 31 12.338 0.002 -2.525 232 HA ASP 31 HA ASP 31 14.424 1.877 -2.397 233 HB2 ASP 31 2HB ASP 31 14.406 -0.384 -3.582 234 HB3 ASP 31 1HB ASP 31 13.669 0.461 -4.943 235 H TRP 32 H TRP 32 11.350 2.202 -4.096 236 HA TRP 32 HA TRP 32 11.890 4.015 -6.115 237 HB2 TRP 32 2HB TRP 32 9.709 4.203 -4.024 238 HB3 TRP 32 1HB TRP 32 9.798 5.277 -5.411 239 HD1 TRP 32 HD TRP 32 10.512 3.164 -7.673 240 HE1 TRP 32 1HE TRP 32 8.709 1.479 -8.411 241 HE3 TRP 32 3HE TRP 32 7.532 3.241 -3.558 242 HZ2 TRP 32 2HZ TRP 32 6.293 0.325 -7.370 243 HZ3 TRP 32 3HZ TRP 32 5.502 1.838 -3.445 244 HH2 TRP 32 HH TRP 32 4.871 0.389 -5.338 245 H TRP 33 H TRP 33 12.130 4.578 -2.644 246 HA TRP 33 HA TRP 33 12.248 7.341 -2.476 247 HB2 TRP 33 2HB TRP 33 12.489 6.206 -0.443 248 HB3 TRP 33 1HB TRP 33 13.768 5.165 -1.068 249 HD1 TRP 33 HD TRP 33 13.170 8.861 -0.165 250 HE1 TRP 33 1HE TRP 33 15.419 9.886 0.581 251 HE3 TRP 33 3HE TRP 33 16.269 4.897 -1.015 252 HZ2 TRP 33 2HZ TRP 33 18.167 9.120 0.789 253 HZ3 TRP 33 3HZ TRP 33 18.694 5.068 -0.535 254 HH2 TRP 33 HH TRP 33 19.647 7.173 0.365 255 HA PRO 34 HA PRO 34 15.784 8.122 -5.183 256 HB2 PRO 34 2HB PRO 34 15.807 10.829 -5.023 257 HB3 PRO 34 1HB PRO 34 14.583 9.945 -5.955 258 HG2 PRO 34 2HG PRO 34 14.379 11.182 -3.257 259 HG3 PRO 34 1HG PRO 34 13.191 11.131 -4.569 260 HD2 PRO 34 2HD PRO 34 13.129 9.454 -2.374 261 HD3 PRO 34 1HD PRO 34 12.399 9.065 -3.946 262 HA PRO 35 HA PRO 35 19.291 8.585 -2.534 263 HB2 PRO 35 2HB PRO 35 20.958 10.131 -4.125 264 HB3 PRO 35 1HB PRO 35 20.743 8.378 -4.286 265 HG2 PRO 35 2HG PRO 35 19.546 10.586 -5.868 266 HG3 PRO 35 1HG PRO 35 20.080 8.979 -6.388 267 HD2 PRO 35 2HD PRO 35 17.451 9.598 -6.035 268 HD3 PRO 35 1HD PRO 35 18.093 7.964 -5.758 269 H SER 36 H SER 36 17.799 11.482 -3.811 270 HA SER 36 HA SER 36 18.997 13.057 -1.560 271 HB2 SER 36 2HB SER 36 17.927 14.065 -4.213 272 HB3 SER 36 1HB SER 36 18.628 15.059 -2.938 273 HG SER 36 HG SER 36 20.473 13.439 -3.235 274 H HIS 37 H HIS 37 17.558 14.365 -0.335 275 HA HIS 37 HA HIS 37 15.511 14.858 0.703 276 HB2 HIS 37 2HB HIS 37 15.131 15.900 -1.577 277 HB3 HIS 37 1HB HIS 37 14.322 14.406 -2.049 278 HD1 HIS 37 1HD HIS 37 14.097 16.874 0.867 279 HD2 HIS 37 2HD HIS 37 11.620 14.524 -1.529 280 HE1 HIS 37 1HE HIS 37 11.721 17.345 1.612 281 HE2 HIS 37 2HE HIS 37 10.206 15.920 0.159 282 H VAL 38 H VAL 38 14.645 13.353 2.068 283 HA VAL 38 HA VAL 38 13.901 10.708 0.920 284 HB VAL 38 HB VAL 38 14.227 11.487 3.827 285 HG11 VAL 38 1HG1 VAL 38 14.206 9.119 4.250 286 HG12 VAL 38 2HG1 VAL 38 14.252 8.752 2.526 287 HG13 VAL 38 3HG1 VAL 38 12.806 9.468 3.237 288 HG21 VAL 38 1HG2 VAL 38 16.456 11.317 3.546 289 HG22 VAL 38 2HG2 VAL 38 16.202 11.162 1.807 290 HG23 VAL 38 3HG2 VAL 38 16.263 9.721 2.821 291 H LEU 39 H LEU 39 11.798 10.280 0.614 292 HA LEU 39 HA LEU 39 9.718 12.096 1.492 293 HB2 LEU 39 2HB LEU 39 9.479 9.290 0.358 294 HB3 LEU 39 1HB LEU 39 8.182 10.482 0.460 295 HG LEU 39 HG LEU 39 10.738 10.750 -1.153 296 HD11 LEU 39 1HD1 LEU 39 7.834 10.298 -1.883 297 HD12 LEU 39 2HD1 LEU 39 9.214 9.269 -2.267 298 HD13 LEU 39 3HD1 LEU 39 9.041 10.840 -3.049 299 HD21 LEU 39 1HD2 LEU 39 8.533 12.660 -0.435 300 HD22 LEU 39 2HD2 LEU 39 9.297 12.790 -2.019 301 HD23 LEU 39 3HD2 LEU 39 10.267 12.956 -0.556 302 H VAL 40 H VAL 40 11.062 9.078 2.680 303 HA VAL 40 HA VAL 40 8.972 8.968 4.795 304 HB VAL 40 HB VAL 40 11.095 6.953 3.982 305 HG11 VAL 40 1HG1 VAL 40 10.506 6.812 6.393 306 HG12 VAL 40 2HG1 VAL 40 9.901 5.417 5.502 307 HG13 VAL 40 3HG1 VAL 40 8.799 6.715 5.961 308 HG21 VAL 40 1HG2 VAL 40 8.621 5.824 3.591 309 HG22 VAL 40 2HG2 VAL 40 9.586 6.583 2.326 310 HG23 VAL 40 3HG2 VAL 40 8.324 7.504 3.144 311 H LYS 41 H LYS 41 9.463 9.558 6.861 312 HA LYS 41 HA LYS 41 11.936 10.834 7.502 313 HB2 LYS 41 2HB LYS 41 9.819 9.662 9.317 314 HB3 LYS 41 1HB LYS 41 11.126 10.712 9.858 315 HG2 LYS 41 2HG LYS 41 10.319 12.464 8.273 316 HG3 LYS 41 1HG LYS 41 8.954 11.422 7.866 317 HD2 LYS 41 2HD LYS 41 8.301 11.406 10.276 318 HD3 LYS 41 1HD LYS 41 9.600 12.554 10.603 319 HE2 LYS 41 2HE LYS 41 8.564 14.270 9.377 320 HE3 LYS 41 1HE LYS 41 7.543 13.143 8.485 321 HZ1 LYS 41 1HZ LYS 41 6.927 12.734 11.126 322 HZ2 LYS 41 2HZ LYS 41 5.984 13.566 9.983 323 HZ3 LYS 41 3HZ LYS 41 7.061 14.419 10.982 324 H LYS 42 H LYS 42 10.753 7.540 7.992 325 HA LYS 42 HA LYS 42 13.244 6.760 9.357 326 HB2 LYS 42 2HB LYS 42 10.818 5.158 8.519 327 HB3 LYS 42 1HB LYS 42 12.160 4.534 9.468 328 HG2 LYS 42 2HG LYS 42 11.699 6.357 11.157 329 HG3 LYS 42 1HG LYS 42 10.230 6.728 10.254 330 HD2 LYS 42 2HD LYS 42 10.891 4.005 11.414 331 HD3 LYS 42 1HD LYS 42 9.813 5.180 12.169 332 HE2 LYS 42 2HE LYS 42 8.547 5.166 9.909 333 HE3 LYS 42 1HE LYS 42 9.433 3.676 9.583 334 HZ1 LYS 42 1HZ LYS 42 8.282 2.545 11.130 335 HZ2 LYS 42 2HZ LYS 42 7.112 3.749 10.871 336 HZ3 LYS 42 3HZ LYS 42 8.174 3.862 12.192 337 H GLU 43 H GLU 43 14.795 5.364 8.390 338 HA GLU 43 HA GLU 43 14.809 5.459 5.454 339 HB2 GLU 43 2HB GLU 43 16.807 4.332 7.424 340 HB3 GLU 43 1HB GLU 43 17.069 4.462 5.687 341 HG2 GLU 43 2HG GLU 43 16.482 6.796 7.534 342 HG3 GLU 43 1HG GLU 43 18.081 6.366 6.925 343 H ARG 44 H ARG 44 13.733 3.898 4.353 344 HA ARG 44 HA ARG 44 12.905 1.399 5.493 345 HB2 ARG 44 2HB ARG 44 13.236 2.224 2.588 346 HB3 ARG 44 1HB ARG 44 12.380 0.782 3.139 347 HG2 ARG 44 2HG ARG 44 10.841 2.208 4.459 348 HG3 ARG 44 1HG ARG 44 11.678 3.643 3.874 349 HD2 ARG 44 2HD ARG 44 11.119 2.921 1.528 350 HD3 ARG 44 1HD ARG 44 10.136 1.632 2.219 351 HE ARG 44 HE ARG 44 9.479 4.332 3.173 352 HH11 ARG 44 1HH1 ARG 44 7.374 5.001 2.674 353 HH12 ARG 44 2HH1 ARG 44 6.443 4.098 1.527 354 HH21 ARG 44 1HH2 ARG 44 8.937 1.766 0.935 355 HH22 ARG 44 2HH2 ARG 44 7.327 2.269 0.543 356 H ALA 45 H ALA 45 13.909 -0.634 5.410 357 HA ALA 45 HA ALA 45 16.749 -0.607 4.459 358 HB1 ALA 45 1HB ALA 45 16.984 -0.986 6.718 359 HB2 ALA 45 2HB ALA 45 16.751 -2.650 6.179 360 HB3 ALA 45 3HB ALA 45 15.398 -1.746 6.859 361 H GLY 46 H GLY 46 13.945 -2.793 4.898 362 HA2 GLY 46 2HA GLY 46 14.588 -4.058 2.320 363 HA3 GLY 46 1HA GLY 46 14.782 -5.103 3.724 364 H LEU 47 H LEU 47 12.950 -5.943 1.966 365 HA LEU 47 HA LEU 47 10.473 -5.663 3.505 366 HB2 LEU 47 2HB LEU 47 9.619 -5.417 0.810 367 HB3 LEU 47 1HB LEU 47 9.401 -4.261 2.122 368 HG LEU 47 HG LEU 47 11.541 -3.200 1.590 369 HD11 LEU 47 1HD1 LEU 47 12.211 -4.300 -0.915 370 HD12 LEU 47 2HD1 LEU 47 11.962 -5.684 0.145 371 HD13 LEU 47 3HD1 LEU 47 13.138 -4.445 0.577 372 HD21 LEU 47 1HD2 LEU 47 9.610 -3.682 -0.657 373 HD22 LEU 47 2HD2 LEU 47 10.964 -2.574 -0.849 374 HD23 LEU 47 3HD2 LEU 47 9.736 -2.271 0.382 375 H ALA 48 H ALA 48 9.276 -7.539 3.400 376 HA ALA 48 HA ALA 48 10.331 -9.653 1.585 377 HB1 ALA 48 1HB ALA 48 9.742 -11.207 3.173 378 HB2 ALA 48 2HB ALA 48 8.289 -10.326 3.641 379 HB3 ALA 48 3HB ALA 48 9.864 -9.819 4.254 380 H PHE 49 H PHE 49 8.991 -10.468 -0.027 381 HA PHE 49 HA PHE 49 6.152 -9.559 -0.030 382 HB2 PHE 49 2HB PHE 49 8.321 -8.775 -1.854 383 HB3 PHE 49 1HB PHE 49 6.871 -9.360 -2.670 384 HD1 PHE 49 1HD PHE 49 4.710 -8.233 -2.364 385 HD2 PHE 49 2HD PHE 49 8.302 -6.728 -0.560 386 HE1 PHE 49 1HE PHE 49 3.598 -6.052 -1.977 387 HE2 PHE 49 2HE PHE 49 7.190 -4.545 -0.166 388 HZ PHE 49 HZ PHE 49 4.841 -4.209 -0.884 389 H GLU 50 H GLU 50 4.821 -11.242 -0.521 390 HA GLU 50 HA GLU 50 5.941 -13.411 -2.250 391 HB2 GLU 50 2HB GLU 50 4.675 -13.598 0.428 392 HB3 GLU 50 1HB GLU 50 4.293 -14.867 -0.731 393 HG2 GLU 50 2HG GLU 50 7.080 -13.986 0.033 394 HG3 GLU 50 1HG GLU 50 6.262 -15.390 0.712 395 HA PRO 51 HA PRO 51 1.995 -12.539 -4.262 396 HB2 PRO 51 2HB PRO 51 2.176 -14.162 -6.363 397 HB3 PRO 51 1HB PRO 51 3.288 -12.791 -6.175 398 HG2 PRO 51 2HG PRO 51 3.752 -15.687 -5.627 399 HG3 PRO 51 1HG PRO 51 4.823 -14.502 -6.394 400 HD2 PRO 51 2HD PRO 51 4.980 -15.265 -3.717 401 HD3 PRO 51 1HD PRO 51 5.636 -13.754 -4.392 402 H PHE 52 H PHE 52 -0.034 -13.321 -3.755 403 HA PHE 52 HA PHE 52 -1.006 -15.924 -4.157 404 HB2 PHE 52 2HB PHE 52 -1.083 -16.586 -1.622 405 HB3 PHE 52 1HB PHE 52 0.357 -16.945 -2.563 406 HD1 PHE 52 1HD PHE 52 -0.069 -13.385 -1.872 407 HD2 PHE 52 2HD PHE 52 1.437 -17.070 -0.239 408 HE1 PHE 52 1HE PHE 52 1.341 -12.116 -0.336 409 HE2 PHE 52 2HE PHE 52 2.824 -15.766 1.351 410 HZ PHE 52 HZ PHE 52 2.756 -13.281 1.308 411 H VAL 53 H VAL 53 -2.949 -16.365 -2.489 412 HA VAL 53 HA VAL 53 -4.514 -13.844 -2.396 413 HB VAL 53 HB VAL 53 -5.964 -15.382 -3.306 414 HG11 VAL 53 1HG1 VAL 53 -4.413 -17.472 -1.759 415 HG12 VAL 53 2HG1 VAL 53 -4.383 -17.187 -3.500 416 HG13 VAL 53 3HG1 VAL 53 -5.832 -17.842 -2.738 417 HG21 VAL 53 1HG2 VAL 53 -7.500 -16.187 -1.673 418 HG22 VAL 53 2HG2 VAL 53 -6.769 -14.757 -0.946 419 HG23 VAL 53 3HG2 VAL 53 -6.234 -16.365 -0.459 420 H GLY 54 H GLY 54 -5.291 -13.024 -0.348 421 HA2 GLY 54 2HA GLY 54 -5.218 -12.766 2.016 422 HA3 GLY 54 1HA GLY 54 -5.014 -14.528 2.117 423 H GLY 55 H GLY 55 -3.114 -12.489 0.143 424 HA2 GLY 55 2HA GLY 55 -0.645 -13.572 1.019 425 HA3 GLY 55 1HA GLY 55 -0.873 -12.233 -0.104 426 H ARG 56 H ARG 56 1.317 -12.005 1.388 427 HA ARG 56 HA ARG 56 0.566 -9.794 3.218 428 HB2 ARG 56 2HB ARG 56 2.261 -12.167 4.020 429 HB3 ARG 56 1HB ARG 56 2.143 -10.676 4.955 430 HG2 ARG 56 2HG ARG 56 -0.335 -10.995 5.065 431 HG3 ARG 56 1HG ARG 56 -0.137 -12.547 4.252 432 HD2 ARG 56 2HD ARG 56 1.080 -11.765 6.917 433 HD3 ARG 56 1HD ARG 56 -0.259 -12.887 6.676 434 HE ARG 56 HE ARG 56 2.162 -13.632 5.217 435 HH11 ARG 56 1HH1 ARG 56 3.150 -15.543 5.913 436 HH12 ARG 56 2HH1 ARG 56 2.693 -16.232 7.435 437 HH21 ARG 56 1HH2 ARG 56 0.374 -13.759 8.161 438 HH22 ARG 56 2HH2 ARG 56 1.122 -15.222 8.708 439 H TYR 57 H TYR 57 2.066 -8.199 3.384 440 HA TYR 57 HA TYR 57 4.622 -8.485 1.860 441 HB2 TYR 57 2HB TYR 57 2.974 -5.971 2.205 442 HB3 TYR 57 1HB TYR 57 4.436 -6.130 1.238 443 HD1 TYR 57 1HD TYR 57 3.886 -8.783 -0.134 444 HD2 TYR 57 2HD TYR 57 1.334 -5.405 0.629 445 HE1 TYR 57 1HE TYR 57 2.489 -9.404 -2.067 446 HE2 TYR 57 2HE TYR 57 -0.059 -6.029 -1.321 447 HH TYR 57 HH TYR 57 -0.518 -7.701 -2.790 448 H TYR 58 H TYR 58 6.453 -7.433 2.863 449 HA TYR 58 HA TYR 58 5.951 -6.513 5.664 450 HB2 TYR 58 2HB TYR 58 8.183 -8.369 4.805 451 HB3 TYR 58 1HB TYR 58 7.789 -7.872 6.451 452 HD1 TYR 58 1HD TYR 58 6.182 -9.481 3.456 453 HD2 TYR 58 2HD TYR 58 6.377 -9.226 7.739 454 HE1 TYR 58 1HE TYR 58 4.524 -11.290 3.626 455 HE2 TYR 58 2HE TYR 58 4.725 -11.068 7.911 456 HH TYR 58 HH TYR 58 3.303 -12.371 6.793 457 H GLU 59 H GLU 59 7.539 -5.100 6.536 458 HA GLU 59 HA GLU 59 9.451 -3.906 4.562 459 HB2 GLU 59 2HB GLU 59 7.426 -2.465 4.878 460 HB3 GLU 59 1HB GLU 59 7.793 -2.387 6.601 461 HG2 GLU 59 2HG GLU 59 10.028 -1.427 6.041 462 HG3 GLU 59 1HG GLU 59 9.560 -1.410 4.340 463 H TRP 60 H TRP 60 11.454 -3.345 5.437 464 HA TRP 60 HA TRP 60 11.910 -4.212 8.266 465 HB2 TRP 60 2HB TRP 60 13.426 -4.449 5.769 466 HB3 TRP 60 1HB TRP 60 14.390 -3.782 7.082 467 HD1 TRP 60 HD TRP 60 13.959 -5.284 9.520 468 HE1 TRP 60 1HE TRP 60 14.132 -7.856 9.711 469 HE3 TRP 60 3HE TRP 60 13.308 -6.588 4.625 470 HZ2 TRP 60 2HZ TRP 60 13.976 -10.162 8.000 471 HZ3 TRP 60 3HZ TRP 60 13.319 -8.962 3.933 472 HH2 TRP 60 HH TRP 60 13.658 -10.749 5.611 473 H ASP 61 H ASP 61 12.429 -2.608 9.733 474 HA ASP 61 HA ASP 61 13.178 0.060 8.562 475 HB2 ASP 61 2HB ASP 61 11.391 -0.704 10.703 476 HB3 ASP 61 1HB ASP 61 12.658 0.360 11.318 477 H ILE 62 H ILE 62 15.193 0.914 9.097 478 HA ILE 62 HA ILE 62 17.271 -0.768 9.889 479 HB ILE 62 HB ILE 62 18.631 1.203 10.195 480 HG12 ILE 62 2HG1 ILE 62 17.058 2.495 11.614 481 HG13 ILE 62 1HG1 ILE 62 17.704 3.456 10.299 482 HG21 ILE 62 1HG2 ILE 62 18.178 0.744 7.912 483 HG22 ILE 62 2HG2 ILE 62 17.970 2.484 8.111 484 HG23 ILE 62 3HG2 ILE 62 16.558 1.433 8.025 485 HD11 ILE 62 1HD1 ILE 62 14.928 2.308 10.592 486 HD12 ILE 62 2HD1 ILE 62 15.549 2.777 9.015 487 HD13 ILE 62 3HD1 ILE 62 15.405 3.973 10.294 488 H ASP 63 H ASP 63 15.233 1.266 11.943 489 HA ASP 63 HA ASP 63 16.595 0.102 14.327 490 HB2 ASP 63 2HB ASP 63 14.716 2.470 14.049 491 HB3 ASP 63 1HB ASP 63 15.349 1.875 15.584 492 H GLY 64 H GLY 64 13.981 -0.261 12.294 493 HA2 GLY 64 2HA GLY 64 12.318 -1.489 14.433 494 HA3 GLY 64 1HA GLY 64 11.666 -0.866 12.926 495 H THR 65 H THR 65 11.964 -3.558 14.393 496 HA THR 65 HA THR 65 13.382 -5.405 12.787 497 HB THR 65 HB THR 65 10.795 -6.188 14.046 498 HG1 THR 65 1HG THR 65 11.433 -5.679 16.017 499 HG21 THR 65 1HG2 THR 65 12.903 -7.599 13.101 500 HG22 THR 65 2HG2 THR 65 11.876 -8.175 14.411 501 HG23 THR 65 3HG2 THR 65 13.410 -7.387 14.775 502 H GLU 66 H GLU 66 11.921 -7.259 11.680 503 HA GLU 66 HA GLU 66 10.699 -6.025 9.335 504 HB2 GLU 66 2HB GLU 66 11.995 -8.255 9.411 505 HB3 GLU 66 1HB GLU 66 10.552 -8.938 10.124 506 HG2 GLU 66 2HG GLU 66 9.253 -8.115 8.170 507 HG3 GLU 66 1HG GLU 66 10.769 -7.606 7.428 508 H ILE 67 H ILE 67 8.452 -5.908 8.926 509 HA ILE 67 HA ILE 67 6.625 -7.270 10.808 510 HB ILE 67 HB ILE 67 7.279 -4.935 11.685 511 HG12 ILE 67 2HG1 ILE 67 4.706 -4.443 12.023 512 HG13 ILE 67 1HG1 ILE 67 4.526 -6.028 11.277 513 HG21 ILE 67 1HG2 ILE 67 6.872 -4.069 9.209 514 HG22 ILE 67 2HG2 ILE 67 6.501 -3.043 10.594 515 HG23 ILE 67 3HG2 ILE 67 5.209 -3.921 9.775 516 HD11 ILE 67 1HD1 ILE 67 4.718 -6.648 13.503 517 HD12 ILE 67 2HD1 ILE 67 5.794 -5.305 13.890 518 HD13 ILE 67 3HD1 ILE 67 6.410 -6.703 13.010 519 H VAL 68 H VAL 68 4.415 -7.323 10.036 520 HA VAL 68 HA VAL 68 4.239 -7.026 7.083 521 HB VAL 68 HB VAL 68 3.537 -9.171 8.278 522 HG11 VAL 68 1HG1 VAL 68 1.028 -7.689 8.999 523 HG12 VAL 68 2HG1 VAL 68 2.393 -7.689 10.115 524 HG13 VAL 68 3HG1 VAL 68 1.641 -9.212 9.640 525 HG21 VAL 68 1HG2 VAL 68 2.767 -8.664 6.007 526 HG22 VAL 68 2HG2 VAL 68 1.468 -7.660 6.653 527 HG23 VAL 68 3HG2 VAL 68 1.456 -9.402 6.927 528 H TRP 69 H TRP 69 3.204 -5.243 6.280 529 HA TRP 69 HA TRP 69 1.515 -3.693 8.193 530 HB2 TRP 69 2HB TRP 69 1.930 -1.815 6.455 531 HB3 TRP 69 1HB TRP 69 3.236 -2.260 7.549 532 HD1 TRP 69 HD TRP 69 5.445 -2.957 6.491 533 HE1 TRP 69 1HE TRP 69 6.246 -3.474 4.096 534 HE3 TRP 69 3HE TRP 69 0.968 -2.943 4.029 535 HZ2 TRP 69 2HZ TRP 69 5.141 -3.827 1.486 536 HZ3 TRP 69 3HZ TRP 69 0.876 -3.383 1.597 537 HH2 TRP 69 HH TRP 69 2.950 -3.816 0.320 538 H GLY 70 H GLY 70 0.999 -5.852 5.774 539 HA2 GLY 70 2HA GLY 70 -1.667 -4.746 5.312 540 HA3 GLY 70 1HA GLY 70 -0.648 -4.726 3.878 541 H ARG 71 H ARG 71 -2.604 -6.131 3.289 542 HA ARG 71 HA ARG 71 -1.751 -8.936 3.389 543 HB2 ARG 71 2HB ARG 71 -3.741 -8.105 5.159 544 HB3 ARG 71 1HB ARG 71 -4.644 -8.747 3.791 545 HG2 ARG 71 2HG ARG 71 -3.229 -10.805 3.879 546 HG3 ARG 71 1HG ARG 71 -2.502 -10.191 5.360 547 HD2 ARG 71 2HD ARG 71 -4.854 -10.029 6.314 548 HD3 ARG 71 1HD ARG 71 -5.405 -10.907 4.890 549 HE ARG 71 HE ARG 71 -4.003 -12.062 7.154 550 HH11 ARG 71 1HH1 ARG 71 -3.535 -14.269 7.008 551 HH12 ARG 71 2HH1 ARG 71 -3.623 -15.058 5.469 552 HH21 ARG 71 1HH2 ARG 71 -4.557 -12.192 3.755 553 HH22 ARG 71 2HH2 ARG 71 -4.202 -13.882 3.627 554 H ILE 72 H ILE 72 -3.605 -10.125 1.992 555 HA ILE 72 HA ILE 72 -4.376 -8.342 -0.252 556 HB ILE 72 HB ILE 72 -2.834 -10.929 -0.437 557 HG12 ILE 72 2HG1 ILE 72 -1.606 -9.441 -2.163 558 HG13 ILE 72 1HG1 ILE 72 -2.476 -8.097 -1.425 559 HG21 ILE 72 1HG2 ILE 72 -4.517 -9.584 -2.556 560 HG22 ILE 72 2HG2 ILE 72 -4.668 -11.238 -1.960 561 HG23 ILE 72 3HG2 ILE 72 -3.263 -10.769 -2.916 562 HD11 ILE 72 1HD1 ILE 72 -1.427 -9.611 0.715 563 HD12 ILE 72 2HD1 ILE 72 -0.896 -8.028 0.175 564 HD13 ILE 72 3HD1 ILE 72 -0.130 -9.482 -0.464 565 H LEU 73 H LEU 73 -6.118 -9.479 -1.644 566 HA LEU 73 HA LEU 73 -7.803 -11.197 0.131 567 HB2 LEU 73 2HB LEU 73 -8.466 -9.022 -1.830 568 HB3 LEU 73 1HB LEU 73 -9.654 -10.278 -1.479 569 HG LEU 73 HG LEU 73 -8.262 -8.930 0.805 570 HD11 LEU 73 1HD1 LEU 73 -10.705 -7.790 -0.575 571 HD12 LEU 73 2HD1 LEU 73 -9.080 -7.130 -0.741 572 HD13 LEU 73 3HD1 LEU 73 -9.873 -7.126 0.831 573 HD21 LEU 73 1HD2 LEU 73 -11.008 -10.131 0.329 574 HD22 LEU 73 2HD2 LEU 73 -10.543 -9.324 1.824 575 HD23 LEU 73 3HD2 LEU 73 -9.713 -10.796 1.324 576 H GLU 74 H GLU 74 -7.002 -10.548 -3.262 577 HA GLU 74 HA GLU 74 -6.648 -13.304 -3.942 578 HB2 GLU 74 2HB GLU 74 -9.145 -13.283 -3.645 579 HB3 GLU 74 1HB GLU 74 -9.243 -12.070 -4.925 580 HG2 GLU 74 2HG GLU 74 -8.096 -13.660 -6.469 581 HG3 GLU 74 1HG GLU 74 -8.128 -14.878 -5.193 582 H TRP 75 H TRP 75 -5.805 -13.451 -6.082 583 HA TRP 75 HA TRP 75 -5.278 -10.803 -7.326 584 HB2 TRP 75 2HB TRP 75 -3.443 -11.995 -8.512 585 HB3 TRP 75 1HB TRP 75 -3.293 -12.104 -6.756 586 HD1 TRP 75 HD TRP 75 -4.153 -14.430 -5.616 587 HE1 TRP 75 1HE TRP 75 -4.111 -16.834 -6.546 588 HE3 TRP 75 3HE TRP 75 -3.578 -13.440 -10.593 589 HZ2 TRP 75 2HZ TRP 75 -3.865 -18.161 -9.067 590 HZ3 TRP 75 3HZ TRP 75 -3.442 -15.292 -12.235 591 HH2 TRP 75 HH TRP 75 -3.584 -17.649 -11.479 592 H ASP 76 H ASP 76 -6.464 -10.287 -9.087 593 HA ASP 76 HA ASP 76 -7.692 -12.495 -10.656 594 HB2 ASP 76 2HB ASP 76 -8.783 -10.125 -9.682 595 HB3 ASP 76 1HB ASP 76 -8.508 -9.788 -11.391 596 HA PRO 77 HA PRO 77 -4.509 -12.238 -13.783 597 HB2 PRO 77 2HB PRO 77 -6.962 -12.046 -15.519 598 HB3 PRO 77 1HB PRO 77 -5.473 -12.976 -15.788 599 HG2 PRO 77 2HG PRO 77 -7.693 -14.104 -14.794 600 HG3 PRO 77 1HG PRO 77 -6.069 -14.622 -14.315 601 HD2 PRO 77 2HD PRO 77 -8.100 -13.236 -12.716 602 HD3 PRO 77 1HD PRO 77 -6.605 -14.032 -12.171 603 HA PRO 78 HA PRO 78 -3.426 -8.064 -14.660 604 HB2 PRO 78 2HB PRO 78 -3.829 -8.845 -17.533 605 HB3 PRO 78 1HB PRO 78 -2.496 -7.936 -16.792 606 HG2 PRO 78 2HG PRO 78 -2.378 -10.595 -17.381 607 HG3 PRO 78 1HG PRO 78 -1.420 -9.813 -16.116 608 HD2 PRO 78 2HD PRO 78 -3.532 -11.772 -15.796 609 HD3 PRO 78 1HD PRO 78 -2.519 -11.035 -14.536 610 H HIS 79 H HIS 79 -5.643 -7.530 -13.755 611 HA HIS 79 HA HIS 79 -7.023 -5.741 -15.484 612 HB2 HIS 79 2HB HIS 79 -7.785 -8.183 -16.207 613 HB3 HIS 79 1HB HIS 79 -8.851 -8.003 -14.809 614 HD1 HIS 79 1HD HIS 79 -9.390 -4.969 -14.995 615 HD2 HIS 79 2HD HIS 79 -9.588 -7.551 -18.264 616 HE1 HIS 79 1HE HIS 79 -10.846 -3.825 -16.719 617 HE2 HIS 79 2HE HIS 79 -10.987 -5.393 -18.711 618 H ARG 80 H ARG 80 -7.328 -7.851 -12.579 619 HA ARG 80 HA ARG 80 -8.127 -5.423 -11.099 620 HB2 ARG 80 2HB ARG 80 -10.280 -6.216 -11.902 621 HB3 ARG 80 1HB ARG 80 -9.940 -7.838 -11.289 622 HG2 ARG 80 2HG ARG 80 -9.940 -7.057 -9.013 623 HG3 ARG 80 1HG ARG 80 -10.010 -5.372 -9.535 624 HD2 ARG 80 2HD ARG 80 -12.236 -5.984 -8.900 625 HD3 ARG 80 1HD ARG 80 -12.213 -5.926 -10.660 626 HE ARG 80 HE ARG 80 -11.614 -8.583 -9.956 627 HH11 ARG 80 1HH1 ARG 80 -13.245 -10.146 -9.903 628 HH12 ARG 80 2HH1 ARG 80 -14.893 -9.652 -9.708 629 HH21 ARG 80 1HH2 ARG 80 -14.139 -6.271 -9.551 630 HH22 ARG 80 2HH2 ARG 80 -15.400 -7.459 -9.509 631 H LEU 81 H LEU 81 -7.540 -5.478 -8.973 632 HA LEU 81 HA LEU 81 -6.830 -8.095 -7.765 633 HB2 LEU 81 2HB LEU 81 -5.034 -5.676 -7.919 634 HB3 LEU 81 1HB LEU 81 -4.773 -6.993 -6.778 635 HG LEU 81 HG LEU 81 -5.188 -8.180 -9.317 636 HD11 LEU 81 1HD1 LEU 81 -4.690 -6.034 -10.341 637 HD12 LEU 81 2HD1 LEU 81 -3.326 -7.126 -10.587 638 HD13 LEU 81 3HD1 LEU 81 -3.240 -5.869 -9.353 639 HD21 LEU 81 1HD2 LEU 81 -3.788 -9.075 -7.508 640 HD22 LEU 81 2HD2 LEU 81 -2.677 -7.717 -7.679 641 HD23 LEU 81 3HD2 LEU 81 -2.831 -8.898 -8.979 642 H ALA 82 H ALA 82 -7.722 -8.243 -5.790 643 HA ALA 82 HA ALA 82 -8.542 -5.719 -4.398 644 HB1 ALA 82 1HB ALA 82 -9.672 -8.523 -4.399 645 HB2 ALA 82 2HB ALA 82 -10.507 -7.006 -4.733 646 HB3 ALA 82 3HB ALA 82 -10.026 -7.403 -3.083 647 H MET 83 H MET 83 -7.971 -5.587 -2.067 648 HA MET 83 HA MET 83 -6.299 -7.806 -1.103 649 HB2 MET 83 2HB MET 83 -4.587 -5.873 -0.429 650 HB3 MET 83 1HB MET 83 -4.480 -6.724 -1.971 651 HG2 MET 83 2HG MET 83 -5.766 -4.966 -3.075 652 HG3 MET 83 1HG MET 83 -6.002 -4.137 -1.537 653 HE1 MET 83 1HE MET 83 -3.838 -5.345 -4.240 654 HE2 MET 83 2HE MET 83 -2.609 -5.861 -3.089 655 HE3 MET 83 3HE MET 83 -2.296 -4.483 -4.141 656 H THR 84 H THR 84 -6.085 -7.969 1.130 657 HA THR 84 HA THR 84 -7.713 -5.999 2.698 658 HB THR 84 HB THR 84 -6.872 -8.856 3.274 659 HG1 THR 84 1HG THR 84 -9.107 -7.584 2.385 660 HG21 THR 84 1HG2 THR 84 -7.922 -6.700 5.083 661 HG22 THR 84 2HG2 THR 84 -6.655 -7.887 5.390 662 HG23 THR 84 3HG2 THR 84 -8.347 -8.385 5.383 663 H TRP 85 H TRP 85 -6.705 -5.130 4.676 664 HA TRP 85 HA TRP 85 -3.731 -5.153 4.462 665 HB2 TRP 85 2HB TRP 85 -5.727 -3.186 5.539 666 HB3 TRP 85 1HB TRP 85 -4.059 -3.137 6.110 667 HD1 TRP 85 HD TRP 85 -4.549 -4.239 2.541 668 HE1 TRP 85 1HE TRP 85 -3.750 -2.381 0.949 669 HE3 TRP 85 3HE TRP 85 -3.878 -0.442 5.887 670 HZ2 TRP 85 2HZ TRP 85 -2.933 0.356 1.074 671 HZ3 TRP 85 3HZ TRP 85 -3.088 1.780 5.124 672 HH2 TRP 85 HH TRP 85 -2.615 2.183 2.724 673 H ARG 86 H ARG 86 -2.506 -6.104 6.050 674 HA ARG 86 HA ARG 86 -3.901 -6.842 8.599 675 HB2 ARG 86 2HB ARG 86 -3.207 -8.792 7.232 676 HB3 ARG 86 1HB ARG 86 -1.541 -8.223 7.287 677 HG2 ARG 86 2HG ARG 86 -1.589 -8.377 9.761 678 HG3 ARG 86 1HG ARG 86 -3.242 -8.988 9.679 679 HD2 ARG 86 2HD ARG 86 -2.418 -10.884 8.268 680 HD3 ARG 86 1HD ARG 86 -0.771 -10.304 8.516 681 HE ARG 86 HE ARG 86 -1.730 -10.569 11.086 682 HH11 ARG 86 1HH1 ARG 86 -1.601 -12.492 12.268 683 HH12 ARG 86 2HH1 ARG 86 -1.515 -14.005 11.429 684 HH21 ARG 86 1HH2 ARG 86 -1.629 -12.565 8.277 685 HH22 ARG 86 2HH2 ARG 86 -1.531 -14.046 9.169 686 H ILE 87 H ILE 87 -3.296 -4.991 9.804 687 HA ILE 87 HA ILE 87 -0.470 -4.995 10.655 688 HB ILE 87 HB ILE 87 -0.668 -3.316 8.764 689 HG12 ILE 87 2HG1 ILE 87 -0.074 -2.088 11.472 690 HG13 ILE 87 1HG1 ILE 87 1.006 -3.235 10.679 691 HG21 ILE 87 1HG2 ILE 87 -2.231 -1.702 10.790 692 HG22 ILE 87 2HG2 ILE 87 -3.021 -2.627 9.512 693 HG23 ILE 87 3HG2 ILE 87 -1.922 -1.311 9.098 694 HD11 ILE 87 1HD1 ILE 87 0.132 -1.032 8.933 695 HD12 ILE 87 2HD1 ILE 87 1.748 -1.683 9.197 696 HD13 ILE 87 3HD1 ILE 87 1.080 -0.507 10.324 697 H ASP 88 H ASP 88 -0.189 -3.873 12.727 698 HA ASP 88 HA ASP 88 -2.754 -3.747 14.231 699 HB2 ASP 88 2HB ASP 88 -1.038 -5.271 15.125 700 HB3 ASP 88 1HB ASP 88 0.070 -3.914 15.287 701 H GLY 89 H GLY 89 -2.593 -2.103 16.127 702 HA2 GLY 89 2HA GLY 89 -2.593 0.511 15.022 703 HA3 GLY 89 1HA GLY 89 -2.584 0.157 16.749 704 H HIS 90 H HIS 90 -0.019 -1.218 16.778 705 HA HIS 90 HA HIS 90 1.740 1.162 16.342 706 HB2 HIS 90 2HB HIS 90 1.283 -0.325 18.648 707 HB3 HIS 90 1HB HIS 90 2.836 -0.920 18.068 708 HD1 HIS 90 1HD HIS 90 2.093 1.215 20.511 709 HD2 HIS 90 2HD HIS 90 3.976 1.971 16.865 710 HE1 HIS 90 1HE HIS 90 3.424 3.351 20.820 711 HE2 HIS 90 2HE HIS 90 4.575 3.820 18.608 712 H TRP 91 H TRP 91 1.260 -0.588 14.147 713 HA TRP 91 HA TRP 91 2.440 -1.840 12.552 714 HB2 TRP 91 2HB TRP 91 4.655 -0.418 14.034 715 HB3 TRP 91 1HB TRP 91 4.987 -1.486 12.671 716 HD1 TRP 91 HD TRP 91 3.535 -0.879 10.369 717 HE1 TRP 91 1HE TRP 91 3.026 1.446 9.391 718 HE3 TRP 91 3HE TRP 91 4.288 2.007 14.502 719 HZ2 TRP 91 2HZ TRP 91 2.960 4.170 10.254 720 HZ3 TRP 91 3HZ TRP 91 4.000 4.462 14.403 721 HH2 TRP 91 HH TRP 91 3.333 5.551 12.278 722 H GLN 92 H GLN 92 1.555 -3.387 14.639 723 HA GLN 92 HA GLN 92 3.848 -5.257 15.090 724 HB2 GLN 92 2HB GLN 92 1.441 -4.802 16.882 725 HB3 GLN 92 1HB GLN 92 2.740 -5.959 17.174 726 HG2 GLN 92 2HG GLN 92 4.368 -4.042 17.154 727 HG3 GLN 92 1HG GLN 92 2.991 -2.944 17.049 728 HE21 GLN 92 1HE2 GLN 92 1.828 -5.467 18.831 729 HE22 GLN 92 2HE2 GLN 92 2.197 -4.916 20.394 730 H SER 93 H SER 93 3.276 -7.535 14.996 731 HA SER 93 HA SER 93 0.953 -8.006 13.204 732 HB2 SER 93 2HB SER 93 2.032 -10.090 12.618 733 HB3 SER 93 1HB SER 93 3.249 -8.816 12.557 734 HG SER 93 HG SER 93 3.187 -11.028 14.065 735 H VAL 94 H VAL 94 -0.562 -9.684 13.674 736 HA VAL 94 HA VAL 94 -0.457 -10.906 16.374 737 HB VAL 94 HB VAL 94 -3.076 -10.189 16.319 738 HG11 VAL 94 1HG1 VAL 94 -0.622 -8.906 17.474 739 HG12 VAL 94 2HG1 VAL 94 -1.925 -9.763 18.297 740 HG13 VAL 94 3HG1 VAL 94 -2.185 -8.123 17.704 741 HG21 VAL 94 1HG2 VAL 94 -3.345 -7.958 15.494 742 HG22 VAL 94 2HG2 VAL 94 -2.549 -8.854 14.200 743 HG23 VAL 94 3HG2 VAL 94 -1.611 -7.772 15.230 744 HA PRO 95 HA PRO 95 -2.070 -14.499 14.420 745 HB2 PRO 95 2HB PRO 95 -4.261 -15.025 16.134 746 HB3 PRO 95 1HB PRO 95 -2.614 -15.654 16.302 747 HG2 PRO 95 2HG PRO 95 -3.930 -13.411 17.699 748 HG3 PRO 95 1HG PRO 95 -2.634 -14.486 18.247 749 HD2 PRO 95 2HD PRO 95 -2.167 -11.906 17.526 750 HD3 PRO 95 1HD PRO 95 -0.965 -13.194 17.275 751 H ASP 96 H ASP 96 -4.358 -11.962 15.266 752 HA ASP 96 HA ASP 96 -5.633 -12.196 12.645 753 HB2 ASP 96 2HB ASP 96 -6.793 -13.867 14.273 754 HB3 ASP 96 1HB ASP 96 -7.460 -12.413 15.016 755 H ASP 97 H ASP 97 -6.836 -10.276 12.153 756 HA ASP 97 HA ASP 97 -6.313 -8.053 14.062 757 HB2 ASP 97 2HB ASP 97 -6.824 -8.088 11.079 758 HB3 ASP 97 1HB ASP 97 -6.709 -6.615 12.041 759 H ASP 98 H ASP 98 -8.057 -7.457 15.236 760 HA ASP 98 HA ASP 98 -10.762 -8.193 14.444 761 HB2 ASP 98 2HB ASP 98 -9.693 -6.475 16.692 762 HB3 ASP 98 1HB ASP 98 -11.391 -6.900 16.496 763 H ARG 99 H ARG 99 -8.665 -5.466 14.101 764 HA ARG 99 HA ARG 99 -10.909 -3.761 13.170 765 HB2 ARG 99 2HB ARG 99 -8.975 -2.006 13.187 766 HB3 ARG 99 1HB ARG 99 -9.663 -2.524 14.728 767 HG2 ARG 99 2HG ARG 99 -7.851 -4.152 15.014 768 HG3 ARG 99 1HG ARG 99 -7.177 -3.702 13.446 769 HD2 ARG 99 2HD ARG 99 -5.923 -2.507 15.114 770 HD3 ARG 99 1HD ARG 99 -6.979 -1.333 14.329 771 HE ARG 99 HE ARG 99 -8.081 -1.054 16.392 772 HH11 ARG 99 1HH1 ARG 99 -8.490 -1.571 18.554 773 HH12 ARG 99 2HH1 ARG 99 -7.856 -3.041 19.214 774 HH21 ARG 99 1HH2 ARG 99 -6.323 -4.016 16.261 775 HH22 ARG 99 2HH2 ARG 99 -6.629 -4.426 17.916 776 H ALA 100 H ALA 100 -9.918 -5.947 11.528 777 HA ALA 100 HA ALA 100 -8.190 -4.692 9.506 778 HB1 ALA 100 1HB ALA 100 -9.152 -7.091 8.457 779 HB2 ALA 100 2HB ALA 100 -9.043 -7.394 10.191 780 HB3 ALA 100 3HB ALA 100 -7.618 -6.865 9.297 781 H SER 101 H SER 101 -8.856 -4.026 7.482 782 HA SER 101 HA SER 101 -11.798 -4.095 6.933 783 HB2 SER 101 2HB SER 101 -9.834 -1.876 6.285 784 HB3 SER 101 1HB SER 101 -11.544 -1.885 5.866 785 HG SER 101 HG SER 101 -10.896 -2.376 8.522 786 H GLU 102 H GLU 102 -12.282 -3.928 4.545 787 HA GLU 102 HA GLU 102 -10.175 -5.379 2.999 788 HB2 GLU 102 2HB GLU 102 -13.171 -5.245 2.554 789 HB3 GLU 102 1HB GLU 102 -12.032 -6.170 1.574 790 HG2 GLU 102 2HG GLU 102 -11.368 -7.451 3.600 791 HG3 GLU 102 1HG GLU 102 -12.581 -6.569 4.529 792 H ILE 103 H ILE 103 -9.500 -4.567 1.023 793 HA ILE 103 HA ILE 103 -10.660 -1.927 0.214 794 HB ILE 103 HB ILE 103 -7.789 -2.861 -0.072 795 HG12 ILE 103 2HG1 ILE 103 -8.962 -0.762 1.779 796 HG13 ILE 103 1HG1 ILE 103 -8.516 -2.393 2.286 797 HG21 ILE 103 1HG2 ILE 103 -9.263 -0.874 -1.436 798 HG22 ILE 103 2HG2 ILE 103 -7.514 -1.099 -1.447 799 HG23 ILE 103 3HG2 ILE 103 -8.257 -0.016 -0.269 800 HD11 ILE 103 1HD1 ILE 103 -6.657 -0.305 1.110 801 HD12 ILE 103 2HD1 ILE 103 -6.190 -1.964 1.488 802 HD13 ILE 103 3HD1 ILE 103 -6.676 -0.867 2.782 803 H GLU 104 H GLU 104 -11.112 -1.678 -1.968 804 HA GLU 104 HA GLU 104 -10.660 -4.095 -3.675 805 HB2 GLU 104 2HB GLU 104 -12.765 -1.920 -3.911 806 HB3 GLU 104 1HB GLU 104 -12.601 -3.306 -4.990 807 HG2 GLU 104 2HG GLU 104 -12.936 -4.825 -3.048 808 HG3 GLU 104 1HG GLU 104 -13.185 -3.416 -2.016 809 H VAL 105 H VAL 105 -9.186 -3.810 -5.267 810 HA VAL 105 HA VAL 105 -8.768 -1.054 -6.321 811 HB VAL 105 HB VAL 105 -6.617 -3.127 -5.843 812 HG11 VAL 105 1HG1 VAL 105 -5.077 -1.367 -6.454 813 HG12 VAL 105 2HG1 VAL 105 -6.384 -0.186 -6.537 814 HG13 VAL 105 3HG1 VAL 105 -6.288 -1.480 -7.731 815 HG21 VAL 105 1HG2 VAL 105 -6.798 -2.444 -3.688 816 HG22 VAL 105 2HG2 VAL 105 -7.822 -1.075 -4.120 817 HG23 VAL 105 3HG2 VAL 105 -6.069 -0.941 -4.250 818 H ASP 106 H ASP 106 -8.676 -0.924 -8.559 819 HA ASP 106 HA ASP 106 -8.767 -3.531 -10.030 820 HB2 ASP 106 2HB ASP 106 -10.055 -0.876 -10.728 821 HB3 ASP 106 1HB ASP 106 -10.077 -2.308 -11.762 822 H PHE 107 H PHE 107 -7.196 -3.848 -11.531 823 HA PHE 107 HA PHE 107 -5.516 -1.503 -12.315 824 HB2 PHE 107 2HB PHE 107 -4.795 -4.426 -11.966 825 HB3 PHE 107 1HB PHE 107 -3.717 -3.215 -12.643 826 HD1 PHE 107 1HD PHE 107 -5.679 -4.080 -9.600 827 HD2 PHE 107 2HD PHE 107 -2.443 -1.794 -11.248 828 HE1 PHE 107 1HE PHE 107 -4.934 -3.490 -7.313 829 HE2 PHE 107 2HE PHE 107 -1.699 -1.192 -8.960 830 HZ PHE 107 HZ PHE 107 -2.937 -2.047 -6.987 831 H VAL 108 H VAL 108 -5.605 -1.058 -14.490 832 HA VAL 108 HA VAL 108 -6.237 -3.301 -16.348 833 HB VAL 108 HB VAL 108 -8.263 -2.255 -16.561 834 HG11 VAL 108 1HG1 VAL 108 -6.794 0.101 -15.458 835 HG12 VAL 108 2HG1 VAL 108 -8.214 -0.717 -14.815 836 HG13 VAL 108 3HG1 VAL 108 -8.362 0.342 -16.220 837 HG21 VAL 108 1HG2 VAL 108 -6.703 -0.174 -18.102 838 HG22 VAL 108 2HG2 VAL 108 -8.308 -0.811 -18.457 839 HG23 VAL 108 3HG2 VAL 108 -6.887 -1.827 -18.689 840 HA PRO 109 HA PRO 109 -2.490 -1.594 -18.155 841 HB2 PRO 109 2HB PRO 109 -2.377 -3.109 -20.403 842 HB3 PRO 109 1HB PRO 109 -1.998 -3.756 -18.794 843 HG2 PRO 109 2HG PRO 109 -4.486 -4.025 -20.400 844 HG3 PRO 109 1HG PRO 109 -3.648 -5.228 -19.408 845 HD2 PRO 109 2HD PRO 109 -5.877 -3.868 -18.553 846 HD3 PRO 109 1HD PRO 109 -4.634 -4.499 -17.449 847 H ASN 110 H ASN 110 -2.307 0.279 -19.239 848 HA ASN 110 HA ASN 110 -4.107 0.760 -21.561 849 HB2 ASN 110 2HB ASN 110 -4.499 2.203 -19.492 850 HB3 ASN 110 1HB ASN 110 -2.914 2.906 -19.812 851 HD21 ASN 110 1HD2 ASN 110 -4.281 4.961 -20.147 852 HD22 ASN 110 2HD2 ASN 110 -4.948 5.217 -21.687 853 H GLY 111 H GLY 111 -3.021 1.007 -23.463 854 HA2 GLY 111 2HA GLY 111 -1.202 1.253 -24.931 855 HA3 GLY 111 1HA GLY 111 -0.658 2.510 -23.820 856 H SER 112 H SER 112 1.312 1.090 -24.973 857 HA SER 112 HA SER 112 2.073 -1.322 -23.629 858 HB2 SER 112 2HB SER 112 4.270 -0.948 -24.582 859 HB3 SER 112 1HB SER 112 3.071 -0.464 -25.778 860 HG SER 112 HG SER 112 3.892 1.458 -25.689 861 H GLY 113 H GLY 113 2.213 2.033 -22.720 862 HA2 GLY 113 2HA GLY 113 3.479 1.208 -20.152 863 HA3 GLY 113 1HA GLY 113 4.130 2.600 -21.021 864 H GLY 114 H GLY 114 0.763 1.546 -20.343 865 HA2 GLY 114 2HA GLY 114 0.368 4.121 -18.897 866 HA3 GLY 114 1HA GLY 114 -0.779 3.633 -20.143 867 H THR 115 H THR 115 -0.782 3.856 -16.997 868 HA THR 115 HA THR 115 -2.198 1.254 -16.609 869 HB THR 115 HB THR 115 -1.154 2.161 -14.111 870 HG1 THR 115 1HG THR 115 1.134 1.675 -14.964 871 HG21 THR 115 1HG2 THR 115 -1.600 -0.132 -14.382 872 HG22 THR 115 2HG2 THR 115 0.159 -0.040 -14.369 873 HG23 THR 115 3HG2 THR 115 -0.697 -0.228 -15.895 874 H ARG 116 H ARG 116 -4.225 1.519 -15.920 875 HA ARG 116 HA ARG 116 -4.968 4.112 -14.627 876 HB2 ARG 116 2HB ARG 116 -6.231 3.871 -16.643 877 HB3 ARG 116 1HB ARG 116 -6.557 2.169 -16.320 878 HG2 ARG 116 2HG ARG 116 -8.175 2.636 -14.733 879 HG3 ARG 116 1HG ARG 116 -7.457 4.193 -14.308 880 HD2 ARG 116 2HD ARG 116 -8.207 5.165 -16.401 881 HD3 ARG 116 1HD ARG 116 -8.815 3.605 -16.951 882 HE ARG 116 HE ARG 116 -10.094 5.355 -14.950 883 HH11 ARG 116 1HH1 ARG 116 -12.194 4.734 -14.402 884 HH12 ARG 116 2HH1 ARG 116 -12.777 3.176 -14.884 885 HH21 ARG 116 1HH2 ARG 116 -9.834 2.268 -16.474 886 HH22 ARG 116 2HH2 ARG 116 -11.443 1.782 -16.056 887 H VAL 117 H VAL 117 -5.311 3.877 -12.455 888 HA VAL 117 HA VAL 117 -6.158 1.172 -11.482 889 HB VAL 117 HB VAL 117 -4.316 3.136 -10.111 890 HG11 VAL 117 1HG1 VAL 117 -5.188 0.318 -9.398 891 HG12 VAL 117 2HG1 VAL 117 -5.646 1.792 -8.542 892 HG13 VAL 117 3HG1 VAL 117 -3.966 1.251 -8.532 893 HG21 VAL 117 1HG2 VAL 117 -2.850 0.891 -10.522 894 HG22 VAL 117 2HG2 VAL 117 -2.869 2.244 -11.654 895 HG23 VAL 117 3HG2 VAL 117 -3.890 0.836 -11.945 896 H GLU 118 H GLU 118 -7.762 1.081 -9.999 897 HA GLU 118 HA GLU 118 -8.848 3.687 -8.989 898 HB2 GLU 118 2HB GLU 118 -10.375 1.162 -9.717 899 HB3 GLU 118 1HB GLU 118 -11.087 2.618 -9.019 900 HG2 GLU 118 2HG GLU 118 -10.295 3.918 -10.986 901 HG3 GLU 118 1HG GLU 118 -9.672 2.427 -11.694 902 H LEU 119 H LEU 119 -7.987 3.655 -6.921 903 HA LEU 119 HA LEU 119 -8.213 1.128 -5.370 904 HB2 LEU 119 2HB LEU 119 -5.987 2.303 -5.556 905 HB3 LEU 119 1HB LEU 119 -6.690 3.645 -4.660 906 HG LEU 119 HG LEU 119 -7.046 0.962 -3.438 907 HD11 LEU 119 1HD1 LEU 119 -4.705 0.885 -4.317 908 HD12 LEU 119 2HD1 LEU 119 -4.773 0.889 -2.555 909 HD13 LEU 119 3HD1 LEU 119 -4.358 2.365 -3.425 910 HD21 LEU 119 1HD2 LEU 119 -7.025 2.182 -1.461 911 HD22 LEU 119 2HD2 LEU 119 -7.585 3.424 -2.578 912 HD23 LEU 119 3HD2 LEU 119 -5.893 3.377 -2.090 913 H ALA 120 H ALA 120 -9.776 0.977 -3.839 914 HA ALA 120 HA ALA 120 -10.849 3.511 -2.678 915 HB1 ALA 120 1HB ALA 120 -13.003 3.019 -3.233 916 HB2 ALA 120 2HB ALA 120 -12.773 1.288 -2.991 917 HB3 ALA 120 3HB ALA 120 -12.255 2.044 -4.498 918 H HIS 121 H HIS 121 -10.376 3.414 -0.536 919 HA HIS 121 HA HIS 121 -10.369 0.749 0.805 920 HB2 HIS 121 2HB HIS 121 -8.858 1.607 2.337 921 HB3 HIS 121 1HB HIS 121 -8.460 2.626 0.954 922 HD1 HIS 121 1HD HIS 121 -8.935 3.031 4.380 923 HD2 HIS 121 2HD HIS 121 -10.571 4.995 1.085 924 HE1 HIS 121 1HE HIS 121 -9.775 5.271 5.224 925 HE2 HIS 121 2HE HIS 121 -10.770 6.472 3.225 926 H VAL 122 H VAL 122 -11.911 0.331 2.430 927 HA VAL 122 HA VAL 122 -13.731 2.600 3.100 928 HB VAL 122 HB VAL 122 -15.657 1.056 2.859 929 HG11 VAL 122 1HG1 VAL 122 -14.579 2.537 0.979 930 HG12 VAL 122 2HG1 VAL 122 -15.827 1.366 0.553 931 HG13 VAL 122 3HG1 VAL 122 -14.128 0.984 0.275 932 HG21 VAL 122 1HG2 VAL 122 -14.766 -1.110 3.146 933 HG22 VAL 122 2HG2 VAL 122 -13.426 -0.807 2.040 934 HG23 VAL 122 3HG2 VAL 122 -15.058 -1.034 1.409 935 H LYS 123 H LYS 123 -14.788 2.501 5.053 936 HA LYS 123 HA LYS 123 -14.952 2.087 7.344 937 HB2 LYS 123 2HB LYS 123 -14.556 -0.824 6.723 938 HB3 LYS 123 1HB LYS 123 -15.671 -0.071 7.864 939 HG2 LYS 123 2HG LYS 123 -15.865 -0.036 4.840 940 HG3 LYS 123 1HG LYS 123 -16.956 -0.845 5.959 941 HD2 LYS 123 2HD LYS 123 -17.611 1.352 6.900 942 HD3 LYS 123 1HD LYS 123 -16.544 2.159 5.751 943 HE2 LYS 123 2HE LYS 123 -18.268 2.190 4.313 944 HE3 LYS 123 1HE LYS 123 -18.072 0.443 4.170 945 HZ1 LYS 123 1HZ LYS 123 -19.594 1.536 6.433 946 HZ2 LYS 123 2HZ LYS 123 -19.751 0.035 5.653 947 HZ3 LYS 123 3HZ LYS 123 -20.336 1.446 4.910 948 H LEU 124 H LEU 124 -12.235 2.528 6.285 949 HA LEU 124 HA LEU 124 -10.448 0.695 7.641 950 HB2 LEU 124 2HB LEU 124 -10.117 2.711 5.791 951 HB3 LEU 124 1HB LEU 124 -9.477 3.440 7.266 952 HG LEU 124 HG LEU 124 -8.229 1.171 7.563 953 HD11 LEU 124 1HD1 LEU 124 -8.112 1.012 4.620 954 HD12 LEU 124 2HD1 LEU 124 -9.660 0.522 5.310 955 HD13 LEU 124 3HD1 LEU 124 -8.174 -0.285 5.814 956 HD21 LEU 124 1HD2 LEU 124 -7.063 3.249 7.141 957 HD22 LEU 124 2HD2 LEU 124 -7.530 3.216 5.441 958 HD23 LEU 124 3HD2 LEU 124 -6.393 2.021 6.067 959 H HIS 125 H HIS 125 -12.025 3.750 8.425 960 HA HIS 125 HA HIS 125 -10.752 4.533 10.761 961 HB2 HIS 125 2HB HIS 125 -12.594 5.838 9.934 962 HB3 HIS 125 1HB HIS 125 -13.708 4.490 10.156 963 HD1 HIS 125 1HD HIS 125 -11.101 5.805 12.596 964 HD2 HIS 125 2HD HIS 125 -15.237 5.341 12.321 965 HE1 HIS 125 1HE HIS 125 -12.044 6.427 14.864 966 HE2 HIS 125 2HE HIS 125 -14.562 6.158 14.705 967 H ARG 126 H ARG 126 -12.247 1.553 10.197 968 HA ARG 126 HA ARG 126 -13.310 0.834 12.689 969 HB2 ARG 126 2HB ARG 126 -13.282 -0.627 10.660 970 HB3 ARG 126 1HB ARG 126 -11.567 -0.913 10.943 971 HG2 ARG 126 2HG ARG 126 -12.107 -1.819 13.191 972 HG3 ARG 126 1HG ARG 126 -13.822 -1.596 12.845 973 HD2 ARG 126 2HD ARG 126 -11.943 -3.305 11.190 974 HD3 ARG 126 1HD ARG 126 -13.061 -3.929 12.403 975 HE ARG 126 HE ARG 126 -14.298 -2.285 10.302 976 HH11 ARG 126 1HH1 ARG 126 -15.805 -3.385 9.027 977 HH12 ARG 126 2HH1 ARG 126 -15.898 -5.112 9.114 978 HH21 ARG 126 1HH2 ARG 126 -13.368 -5.394 11.468 979 HH22 ARG 126 2HH2 ARG 126 -14.519 -6.249 10.496 980 H HIS 127 H HIS 127 -9.935 1.175 11.695 981 HA HIS 127 HA HIS 127 -8.955 0.127 14.249 982 HB2 HIS 127 2HB HIS 127 -6.722 0.942 13.363 983 HB3 HIS 127 1HB HIS 127 -7.522 -0.274 12.373 984 HD1 HIS 127 1HD HIS 127 -9.292 2.819 11.898 985 HD2 HIS 127 2HD HIS 127 -5.767 1.206 10.368 986 HE1 HIS 127 1HE HIS 127 -8.768 4.101 9.773 987 HE2 HIS 127 2HE HIS 127 -6.621 3.136 8.847 988 H GLY 128 H GLY 128 -9.812 3.207 12.885 989 HA2 GLY 128 2HA GLY 128 -9.499 5.411 13.710 990 HA3 GLY 128 1HA GLY 128 -10.208 4.663 15.142 991 H ASP 129 H ASP 129 -8.998 5.882 16.625 992 HA ASP 129 HA ASP 129 -7.118 6.520 17.883 993 HB2 ASP 129 2HB ASP 129 -7.300 4.017 18.278 994 HB3 ASP 129 1HB ASP 129 -6.062 3.810 17.039 995 H GLY 130 H GLY 130 -4.465 5.052 16.987 996 HA2 GLY 130 2HA GLY 130 -3.529 7.300 15.364 997 HA3 GLY 130 1HA GLY 130 -2.548 5.937 15.918 998 H ALA 131 H ALA 131 -5.534 6.014 13.979 999 HA ALA 131 HA ALA 131 -4.737 3.909 12.247 1000 HB1 ALA 131 1HB ALA 131 -6.475 5.096 10.676 1001 HB2 ALA 131 2HB ALA 131 -6.776 6.108 12.087 1002 HB3 ALA 131 3HB ALA 131 -7.024 4.365 12.184 1003 H TRP 132 H TRP 132 -4.797 7.439 11.516 1004 HA TRP 132 HA TRP 132 -3.418 7.180 9.039 1005 HB2 TRP 132 2HB TRP 132 -4.602 9.260 9.814 1006 HB3 TRP 132 1HB TRP 132 -3.252 9.559 10.914 1007 HD1 TRP 132 HD TRP 132 -0.858 10.056 9.801 1008 HE1 TRP 132 1HE TRP 132 -0.231 11.013 7.492 1009 HE3 TRP 132 3HE TRP 132 -5.295 9.405 7.325 1010 HZ2 TRP 132 2HZ TRP 132 -1.441 11.446 4.943 1011 HZ3 TRP 132 3HZ TRP 132 -5.519 10.103 4.961 1012 HH2 TRP 132 HH TRP 132 -3.601 11.123 3.766 1013 H ASN 133 H ASN 133 -2.270 7.259 12.360 1014 HA ASN 133 HA ASN 133 0.474 7.813 11.908 1015 HB2 ASN 133 2HB ASN 133 -0.770 7.371 14.146 1016 HB3 ASN 133 1HB ASN 133 -0.461 5.666 13.819 1017 HD21 ASN 133 1HD2 ASN 133 0.954 5.817 15.835 1018 HD22 ASN 133 2HD2 ASN 133 2.541 6.394 15.659 1019 H ILE 134 H ILE 134 -1.352 4.778 11.682 1020 HA ILE 134 HA ILE 134 0.816 3.083 10.962 1021 HB ILE 134 HB ILE 134 -2.091 2.998 10.117 1022 HG12 ILE 134 2HG1 ILE 134 -0.646 1.560 12.364 1023 HG13 ILE 134 1HG1 ILE 134 -1.679 2.976 12.582 1024 HG21 ILE 134 1HG2 ILE 134 -1.003 0.418 10.283 1025 HG22 ILE 134 2HG2 ILE 134 0.191 1.379 9.409 1026 HG23 ILE 134 3HG2 ILE 134 -1.467 1.280 8.817 1027 HD11 ILE 134 1HD1 ILE 134 -3.297 1.324 11.095 1028 HD12 ILE 134 2HD1 ILE 134 -3.352 1.464 12.852 1029 HD13 ILE 134 3HD1 ILE 134 -2.424 0.167 12.099 1030 H HIS 135 H HIS 135 -1.399 5.097 9.072 1031 HA HIS 135 HA HIS 135 -0.325 4.481 6.497 1032 HB2 HIS 135 2HB HIS 135 -2.462 5.628 6.660 1033 HB3 HIS 135 1HB HIS 135 -1.718 6.977 7.520 1034 HD1 HIS 135 1HD HIS 135 0.506 5.775 4.962 1035 HD2 HIS 135 2HD HIS 135 -2.698 8.430 5.081 1036 HE1 HIS 135 1HE HIS 135 0.676 7.155 2.857 1037 HE2 HIS 135 2HE HIS 135 -1.282 8.788 2.906 1038 H LYS 136 H LYS 136 0.635 6.710 9.049 1039 HA LYS 136 HA LYS 136 2.414 8.359 7.624 1040 HB2 LYS 136 2HB LYS 136 1.833 8.518 10.100 1041 HB3 LYS 136 1HB LYS 136 3.011 7.242 10.360 1042 HG2 LYS 136 2HG LYS 136 4.743 8.618 9.299 1043 HG3 LYS 136 1HG LYS 136 3.571 9.911 9.078 1044 HD2 LYS 136 2HD LYS 136 3.216 9.948 11.554 1045 HD3 LYS 136 1HD LYS 136 4.506 8.757 11.719 1046 HE2 LYS 136 2HE LYS 136 6.163 10.269 11.186 1047 HE3 LYS 136 1HE LYS 136 5.106 11.220 10.142 1048 HZ1 LYS 136 1HZ LYS 136 5.315 11.254 13.083 1049 HZ2 LYS 136 2HZ LYS 136 3.898 11.786 12.312 1050 HZ3 LYS 136 3HZ LYS 136 5.380 12.554 11.995 1051 H ALA 137 H ALA 137 2.788 5.021 8.732 1052 HA ALA 137 HA ALA 137 5.603 4.823 8.131 1053 HB1 ALA 137 1HB ALA 137 4.909 2.970 9.338 1054 HB2 ALA 137 2HB ALA 137 4.867 2.307 7.707 1055 HB3 ALA 137 3HB ALA 137 3.378 2.851 8.473 1056 H LEU 138 H LEU 138 2.641 4.168 6.264 1057 HA LEU 138 HA LEU 138 4.078 3.489 3.837 1058 HB2 LEU 138 2HB LEU 138 1.233 4.476 4.225 1059 HB3 LEU 138 1HB LEU 138 1.880 3.822 2.727 1060 HG LEU 138 HG LEU 138 1.705 2.340 5.365 1061 HD11 LEU 138 1HD1 LEU 138 -0.454 2.776 4.067 1062 HD12 LEU 138 2HD1 LEU 138 -0.070 1.082 4.371 1063 HD13 LEU 138 3HD1 LEU 138 0.232 1.784 2.781 1064 HD21 LEU 138 1HD2 LEU 138 2.199 0.423 3.577 1065 HD22 LEU 138 2HD2 LEU 138 3.516 1.322 4.331 1066 HD23 LEU 138 3HD2 LEU 138 2.967 1.755 2.712 1067 H ASP 139 H ASP 139 3.020 6.402 5.411 1068 HA ASP 139 HA ASP 139 3.467 8.646 4.978 1069 HB2 ASP 139 2HB ASP 139 5.667 7.139 3.779 1070 HB3 ASP 139 1HB ASP 139 5.424 8.715 3.032 1071 H GLY 140 H GLY 140 1.605 9.361 3.998 1072 HA2 GLY 140 2HA GLY 140 1.664 9.463 1.014 1073 HA3 GLY 140 1HA GLY 140 0.162 9.100 1.867 1074 HA PRO 141 HA PRO 141 1.562 13.693 3.034 1075 HB2 PRO 141 2HB PRO 141 2.958 14.285 0.476 1076 HB3 PRO 141 1HB PRO 141 3.373 14.775 2.129 1077 HG2 PRO 141 2HG PRO 141 4.739 12.883 0.824 1078 HG3 PRO 141 1HG PRO 141 4.479 12.825 2.576 1079 HD2 PRO 141 2HD PRO 141 3.183 11.207 0.427 1080 HD3 PRO 141 1HD PRO 141 3.550 10.768 2.110 1081 H SER 142 H SER 142 0.069 15.309 2.551 1082 HA SER 142 HA SER 142 -2.019 14.810 0.708 1083 HB2 SER 142 2HB SER 142 -1.392 16.805 2.621 1084 HB3 SER 142 1HB SER 142 -1.722 17.645 1.109 1085 HG SER 142 HG SER 142 -3.365 15.932 2.622 1086 HA PRO 143 HA PRO 143 0.348 18.075 -2.137 1087 HB2 PRO 143 2HB PRO 143 3.116 17.257 -1.416 1088 HB3 PRO 143 1HB PRO 143 2.468 18.875 -1.754 1089 HG2 PRO 143 2HG PRO 143 3.075 18.104 0.723 1090 HG3 PRO 143 1HG PRO 143 1.689 19.156 0.386 1091 HD2 PRO 143 2HD PRO 143 1.721 16.246 1.075 1092 HD3 PRO 143 1HD PRO 143 0.529 17.494 1.500 1093 H GLY 144 H GLY 144 1.554 14.850 -1.355 1094 HA2 GLY 144 2HA GLY 144 1.363 14.156 -4.228 1095 HA3 GLY 144 1HA GLY 144 2.881 13.809 -3.395 1096 H GLU 145 H GLU 145 0.451 12.147 -4.493 1097 HA GLU 145 HA GLU 145 -0.137 10.621 -2.019 1098 HB2 GLU 145 2HB GLU 145 -1.322 10.374 -4.789 1099 HB3 GLU 145 1HB GLU 145 -1.865 9.501 -3.359 1100 HG2 GLU 145 2HG GLU 145 -2.344 11.696 -2.260 1101 HG3 GLU 145 1HG GLU 145 -1.922 12.504 -3.770 1102 H THR 146 H THR 146 -0.238 8.133 -2.467 1103 HA THR 146 HA THR 146 2.375 7.198 -3.029 1104 HB THR 146 HB THR 146 -0.289 5.784 -3.059 1105 HG1 THR 146 1HG THR 146 0.080 5.586 -1.014 1106 HG21 THR 146 1HG2 THR 146 1.173 3.703 -2.862 1107 HG22 THR 146 2HG2 THR 146 2.509 4.715 -3.413 1108 HG23 THR 146 3HG2 THR 146 1.106 4.463 -4.454 1109 H LEU 147 H LEU 147 -0.442 7.576 -5.106 1110 HA LEU 147 HA LEU 147 0.556 6.165 -7.363 1111 HB2 LEU 147 2HB LEU 147 -1.307 8.555 -7.278 1112 HB3 LEU 147 1HB LEU 147 -1.085 7.464 -8.641 1113 HG LEU 147 HG LEU 147 -1.611 5.604 -6.824 1114 HD11 LEU 147 1HD1 LEU 147 -2.142 7.988 -5.352 1115 HD12 LEU 147 2HD1 LEU 147 -2.452 6.326 -4.872 1116 HD13 LEU 147 3HD1 LEU 147 -3.696 7.243 -5.718 1117 HD21 LEU 147 1HD2 LEU 147 -3.012 5.618 -8.672 1118 HD22 LEU 147 2HD2 LEU 147 -3.405 7.327 -8.489 1119 HD23 LEU 147 3HD2 LEU 147 -4.147 6.135 -7.425 1120 H ALA 148 H ALA 148 1.035 9.458 -6.200 1121 HA ALA 148 HA ALA 148 2.340 10.412 -8.600 1122 HB1 ALA 148 1HB ALA 148 3.163 11.890 -6.288 1123 HB2 ALA 148 2HB ALA 148 1.445 11.514 -6.143 1124 HB3 ALA 148 3HB ALA 148 2.043 12.376 -7.561 1125 H ARG 149 H ARG 149 3.646 9.512 -5.385 1126 HA ARG 149 HA ARG 149 6.362 9.934 -6.126 1127 HB2 ARG 149 2HB ARG 149 6.899 8.602 -4.108 1128 HB3 ARG 149 1HB ARG 149 5.664 9.814 -3.787 1129 HG2 ARG 149 2HG ARG 149 4.518 8.068 -2.882 1130 HG3 ARG 149 1HG ARG 149 4.121 7.705 -4.558 1131 HD2 ARG 149 2HD ARG 149 4.970 5.649 -3.869 1132 HD3 ARG 149 1HD ARG 149 6.432 6.409 -4.497 1133 HE ARG 149 HE ARG 149 7.247 6.585 -2.274 1134 HH11 ARG 149 1HH1 ARG 149 7.112 6.109 -0.069 1135 HH12 ARG 149 2HH1 ARG 149 5.604 5.580 0.598 1136 HH21 ARG 149 1HH2 ARG 149 3.908 5.739 -2.423 1137 HH22 ARG 149 2HH2 ARG 149 3.790 5.370 -0.734 1138 H PHE 150 H PHE 150 4.438 6.918 -6.091 1139 HA PHE 150 HA PHE 150 6.692 5.340 -7.007 1140 HB2 PHE 150 2HB PHE 150 5.382 3.586 -6.495 1141 HB3 PHE 150 1HB PHE 150 4.241 4.773 -5.857 1142 HD1 PHE 150 1HD PHE 150 2.736 5.935 -7.696 1143 HD2 PHE 150 2HD PHE 150 4.633 2.117 -8.135 1144 HE1 PHE 150 1HE PHE 150 1.080 5.320 -9.437 1145 HE2 PHE 150 2HE PHE 150 2.993 1.498 -9.888 1146 HZ PHE 150 HZ PHE 150 1.220 3.099 -10.539 1147 H ALA 151 H ALA 151 3.978 6.955 -8.630 1148 HA ALA 151 HA ALA 151 4.387 5.657 -11.178 1149 HB1 ALA 151 1HB ALA 151 3.148 8.347 -10.541 1150 HB2 ALA 151 2HB ALA 151 2.284 6.813 -10.665 1151 HB3 ALA 151 3HB ALA 151 3.037 7.523 -12.093 1152 H ASN 152 H ASN 152 5.494 8.746 -9.836 1153 HA ASN 152 HA ASN 152 6.827 9.706 -12.151 1154 HB2 ASN 152 2HB ASN 152 7.485 11.409 -10.797 1155 HB3 ASN 152 1HB ASN 152 6.406 10.651 -9.626 1156 HD21 ASN 152 1HD2 ASN 152 7.381 9.244 -7.977 1157 HD22 ASN 152 2HD2 ASN 152 9.039 9.357 -7.616 1158 H VAL 153 H VAL 153 8.082 7.733 -9.468 1159 HA VAL 153 HA VAL 153 10.759 7.590 -10.488 1160 HB VAL 153 HB VAL 153 10.936 5.591 -8.970 1161 HG11 VAL 153 1HG1 VAL 153 9.680 7.375 -7.107 1162 HG12 VAL 153 2HG1 VAL 153 10.500 8.332 -8.341 1163 HG13 VAL 153 3HG1 VAL 153 11.402 7.141 -7.404 1164 HG21 VAL 153 1HG2 VAL 153 8.011 6.231 -8.604 1165 HG22 VAL 153 2HG2 VAL 153 8.926 5.241 -7.480 1166 HG23 VAL 153 3HG2 VAL 153 8.705 4.708 -9.143 1167 H ILE 154 H ILE 154 7.910 5.506 -10.933 1168 HA ILE 154 HA ILE 154 9.270 3.442 -12.333 1169 HB ILE 154 HB ILE 154 6.403 4.371 -12.358 1170 HG12 ILE 154 2HG1 ILE 154 7.744 1.894 -11.262 1171 HG13 ILE 154 1HG1 ILE 154 7.340 3.303 -10.304 1172 HG21 ILE 154 1HG2 ILE 154 6.551 3.381 -14.468 1173 HG22 ILE 154 2HG2 ILE 154 6.105 2.013 -13.451 1174 HG23 ILE 154 3HG2 ILE 154 7.781 2.232 -13.948 1175 HD11 ILE 154 1HD1 ILE 154 5.334 1.653 -11.858 1176 HD12 ILE 154 2HD1 ILE 154 4.970 3.032 -10.821 1177 HD13 ILE 154 3HD1 ILE 154 5.603 1.543 -10.119 1178 HBB 96F 201 HBB SUM 155 -1.122 11.595 -0.283 1179 HBC 96F 201 HBC SUM 155 -2.002 11.555 1.264 1180 HBA 96F 201 HBA SUM 155 -2.897 11.463 -0.271 1181 HA2 96F 201 2HA SUM 155 -1.831 9.305 1.302 1182 HA1 96F 201 1HA SUM 155 -0.953 9.347 -0.244 1183 HAY 96F 201 HAY SUM 155 -4.558 10.162 0.649 1184 HAZ 96F 201 HAZ SUM 155 -4.073 8.640 1.435 1185 HA0 96F 201 0HA SUM 155 -5.138 8.603 0.012 1186 HBE 96F 201 HBE SUM 155 -3.614 9.102 -2.361 1187 H1 96F 201 HAV SUM 155 -3.908 7.439 -2.702 1188 HAS 96F 201 HAS SUM 155 -6.443 5.702 -4.515 1189 HAT 96F 201 HAT SUM 155 -5.388 6.876 -3.692 1190 HAU 96F 201 HAU SUM 155 -6.067 5.504 -2.786 1191 HAK 96F 201 HAK SUM 155 -5.169 4.786 -6.125 1192 HAF 96F 201 HAF SUM 155 -2.434 2.682 -9.488 1193 HAE 96F 201 HAE SUM 155 -0.352 1.512 -10.136 1194 HAD 96F 201 HAD SUM 155 1.384 1.028 -8.425 1195 HAR 96F 201 HAR SUM 155 2.085 1.593 -6.273 1196 HAQ 96F 201 HAQ SUM 155 -1.196 3.985 -2.005 Start of MODEL 2 1 H MET 1 1HT MET 1 -3.912 12.595 5.192 2 HA MET 1 HA MET 1 -2.983 13.704 6.877 3 HB2 MET 1 2HB MET 1 -4.499 15.404 5.242 4 HB3 MET 1 1HB MET 1 -4.831 15.947 6.888 5 HG2 MET 1 2HG MET 1 -2.072 15.529 5.699 6 HG3 MET 1 1HG MET 1 -2.847 17.091 5.961 7 HE1 MET 1 1HE MET 1 -3.890 17.754 7.977 8 HE2 MET 1 2HE MET 1 -2.319 18.455 8.359 9 HE3 MET 1 3HE MET 1 -3.207 17.572 9.599 10 HA PRO 2 HA PRO 2 -6.695 14.499 9.973 11 HB2 PRO 2 2HB PRO 2 -8.714 12.643 8.885 12 HB3 PRO 2 1HB PRO 2 -8.907 14.314 9.449 13 HG2 PRO 2 2HG PRO 2 -9.029 13.629 6.849 14 HG3 PRO 2 1HG PRO 2 -8.432 15.201 7.405 15 HD2 PRO 2 2HD PRO 2 -6.891 12.848 6.395 16 HD3 PRO 2 1HD PRO 2 -6.545 14.585 6.221 17 H GLU 3 H GLU 3 -6.892 13.225 11.849 18 HA GLU 3 HA GLU 3 -5.386 10.801 11.990 19 HB2 GLU 3 2HB GLU 3 -7.461 11.945 13.887 20 HB3 GLU 3 1HB GLU 3 -6.372 10.615 14.274 21 HG2 GLU 3 2HG GLU 3 -4.431 12.098 13.820 22 HG3 GLU 3 1HG GLU 3 -5.546 13.432 13.520 23 H GLU 4 H GLU 4 -8.757 11.475 11.351 24 HA GLU 4 HA GLU 4 -9.500 8.625 11.624 25 HB2 GLU 4 2HB GLU 4 -11.022 10.466 12.399 26 HB3 GLU 4 1HB GLU 4 -11.185 10.958 10.715 27 HG2 GLU 4 2HG GLU 4 -12.021 8.680 10.156 28 HG3 GLU 4 1HG GLU 4 -11.943 8.259 11.869 29 H ILE 5 H ILE 5 -9.986 7.309 9.865 30 HA ILE 5 HA ILE 5 -9.449 8.477 7.167 31 HB ILE 5 HB ILE 5 -9.142 5.570 7.443 32 HG12 ILE 5 2HG1 ILE 5 -8.285 6.354 9.659 33 HG13 ILE 5 1HG1 ILE 5 -7.052 5.619 8.649 34 HG21 ILE 5 1HG2 ILE 5 -7.438 7.809 6.354 35 HG22 ILE 5 2HG2 ILE 5 -8.491 6.737 5.431 36 HG23 ILE 5 3HG2 ILE 5 -7.046 6.097 6.216 37 HD11 ILE 5 1HD1 ILE 5 -6.849 8.091 9.834 38 HD12 ILE 5 2HD1 ILE 5 -7.363 8.488 8.195 39 HD13 ILE 5 3HD1 ILE 5 -5.900 7.539 8.455 40 HA PRO 6 HA PRO 6 -13.747 6.848 7.047 41 HB2 PRO 6 2HB PRO 6 -14.752 8.814 5.422 42 HB3 PRO 6 1HB PRO 6 -14.654 8.954 7.187 43 HG2 PRO 6 2HG PRO 6 -12.993 10.206 5.100 44 HG3 PRO 6 1HG PRO 6 -13.379 10.768 6.733 45 HD2 PRO 6 2HD PRO 6 -10.961 9.579 5.922 46 HD3 PRO 6 1HD PRO 6 -11.487 9.832 7.599 47 H ASP 7 H ASP 7 -15.068 6.136 5.105 48 HA ASP 7 HA ASP 7 -13.413 4.847 3.172 49 HB2 ASP 7 2HB ASP 7 -15.608 4.386 2.019 50 HB3 ASP 7 1HB ASP 7 -15.585 3.925 3.720 51 H VAL 8 H VAL 8 -12.516 5.673 1.369 52 HA VAL 8 HA VAL 8 -13.890 7.888 -0.052 53 HB VAL 8 HB VAL 8 -12.183 8.937 1.415 54 HG11 VAL 8 1HG1 VAL 8 -9.775 8.535 0.856 55 HG12 VAL 8 2HG1 VAL 8 -10.271 7.184 -0.159 56 HG13 VAL 8 3HG1 VAL 8 -10.565 7.137 1.577 57 HG21 VAL 8 1HG2 VAL 8 -12.583 9.299 -1.337 58 HG22 VAL 8 2HG2 VAL 8 -10.835 9.360 -1.121 59 HG23 VAL 8 3HG2 VAL 8 -11.872 10.460 -0.215 60 H ARG 9 H ARG 9 -13.652 7.759 -2.301 61 HA ARG 9 HA ARG 9 -11.987 5.466 -3.288 62 HB2 ARG 9 2HB ARG 9 -14.452 5.113 -3.491 63 HB3 ARG 9 1HB ARG 9 -14.543 6.562 -4.495 64 HG2 ARG 9 2HG ARG 9 -12.951 5.527 -6.098 65 HG3 ARG 9 1HG ARG 9 -12.939 4.064 -5.113 66 HD2 ARG 9 2HD ARG 9 -15.410 3.883 -5.424 67 HD3 ARG 9 1HD ARG 9 -15.346 5.275 -6.504 68 HE ARG 9 HE ARG 9 -13.486 3.459 -7.536 69 HH11 ARG 9 1HH1 ARG 9 -14.064 1.989 -9.154 70 HH12 ARG 9 2HH1 ARG 9 -15.725 1.538 -9.343 71 HH21 ARG 9 1HH2 ARG 9 -16.841 3.541 -6.744 72 HH22 ARG 9 2HH2 ARG 9 -17.297 2.416 -7.978 73 H LYS 10 H LYS 10 -10.320 6.119 -4.547 74 HA LYS 10 HA LYS 10 -10.691 8.543 -6.248 75 HB2 LYS 10 2HB LYS 10 -8.275 7.937 -4.516 76 HB3 LYS 10 1HB LYS 10 -8.374 9.249 -5.692 77 HG2 LYS 10 2HG LYS 10 -10.350 10.151 -4.454 78 HG3 LYS 10 1HG LYS 10 -10.109 8.900 -3.233 79 HD2 LYS 10 2HD LYS 10 -7.796 9.759 -2.862 80 HD3 LYS 10 1HD LYS 10 -8.129 11.063 -4.000 81 HE2 LYS 10 2HE LYS 10 -10.290 11.238 -2.320 82 HE3 LYS 10 1HE LYS 10 -9.015 10.736 -1.209 83 HZ1 LYS 10 1HZ LYS 10 -9.442 13.266 -2.331 84 HZ2 LYS 10 2HZ LYS 10 -7.961 12.675 -2.920 85 HZ3 LYS 10 3HZ LYS 10 -8.229 12.787 -1.246 86 H SER 11 H SER 11 -9.546 8.470 -8.225 87 HA SER 11 HA SER 11 -7.896 6.051 -8.749 88 HB2 SER 11 2HB SER 11 -9.097 5.558 -10.804 89 HB3 SER 11 1HB SER 11 -10.261 5.602 -9.480 90 HG SER 11 HG SER 11 -11.209 6.952 -10.818 91 H VAL 12 H VAL 12 -6.390 6.366 -10.497 92 HA VAL 12 HA VAL 12 -6.348 8.965 -11.865 93 HB VAL 12 HB VAL 12 -4.939 8.631 -9.417 94 HG11 VAL 12 1HG1 VAL 12 -2.624 9.075 -10.111 95 HG12 VAL 12 2HG1 VAL 12 -3.080 8.916 -11.805 96 HG13 VAL 12 3HG1 VAL 12 -3.151 7.513 -10.734 97 HG21 VAL 12 1HG2 VAL 12 -4.278 10.951 -9.863 98 HG22 VAL 12 2HG2 VAL 12 -5.960 10.700 -10.329 99 HG23 VAL 12 3HG2 VAL 12 -4.702 10.760 -11.564 100 H VAL 13 H VAL 13 -4.739 9.006 -13.590 101 HA VAL 13 HA VAL 13 -3.993 6.258 -14.445 102 HB VAL 13 HB VAL 13 -4.119 8.818 -16.069 103 HG11 VAL 13 1HG1 VAL 13 -3.673 5.907 -16.772 104 HG12 VAL 13 2HG1 VAL 13 -2.610 7.275 -17.109 105 HG13 VAL 13 3HG1 VAL 13 -4.143 7.116 -17.968 106 HG21 VAL 13 1HG2 VAL 13 -6.256 8.139 -16.820 107 HG22 VAL 13 2HG2 VAL 13 -6.309 7.829 -15.084 108 HG23 VAL 13 3HG2 VAL 13 -6.046 6.498 -16.210 109 H VAL 14 H VAL 14 -1.862 5.711 -14.610 110 HA VAL 14 HA VAL 14 0.158 7.904 -14.381 111 HB VAL 14 HB VAL 14 1.532 6.311 -13.009 112 HG11 VAL 14 1HG1 VAL 14 -0.232 6.394 -11.015 113 HG12 VAL 14 2HG1 VAL 14 -1.109 7.422 -12.147 114 HG13 VAL 14 3HG1 VAL 14 0.517 7.868 -11.627 115 HG21 VAL 14 1HG2 VAL 14 0.173 4.445 -11.935 116 HG22 VAL 14 2HG2 VAL 14 0.593 4.200 -13.629 117 HG23 VAL 14 3HG2 VAL 14 -1.033 4.722 -13.190 118 H ALA 15 H ALA 15 2.341 7.207 -15.198 119 HA ALA 15 HA ALA 15 2.008 5.769 -17.728 120 HB1 ALA 15 1HB ALA 15 3.916 7.626 -16.561 121 HB2 ALA 15 2HB ALA 15 3.604 7.273 -18.262 122 HB3 ALA 15 3HB ALA 15 4.734 6.273 -17.344 123 H ALA 16 H ALA 16 1.691 3.552 -17.154 124 HA ALA 16 HA ALA 16 4.063 2.013 -16.751 125 HB1 ALA 16 1HB ALA 16 2.701 1.258 -14.391 126 HB2 ALA 16 2HB ALA 16 2.817 3.017 -14.349 127 HB3 ALA 16 3HB ALA 16 4.277 2.040 -14.511 128 H SER 17 H SER 17 3.540 -0.328 -16.524 129 HA SER 17 HA SER 17 0.870 -0.925 -17.685 130 HB2 SER 17 2HB SER 17 1.845 -3.015 -18.451 131 HB3 SER 17 1HB SER 17 2.945 -1.714 -18.896 132 HG SER 17 HG SER 17 4.381 -2.693 -17.732 133 H VAL 18 H VAL 18 -0.402 -2.636 -16.641 134 HA VAL 18 HA VAL 18 -0.303 -2.578 -13.804 135 HB VAL 18 HB VAL 18 -1.999 -4.291 -13.860 136 HG11 VAL 18 1HG1 VAL 18 -3.596 -3.168 -15.189 137 HG12 VAL 18 2HG1 VAL 18 -2.394 -2.733 -16.403 138 HG13 VAL 18 3HG1 VAL 18 -2.394 -1.926 -14.836 139 HG21 VAL 18 1HG2 VAL 18 -2.426 -5.117 -16.401 140 HG22 VAL 18 2HG2 VAL 18 -1.424 -6.014 -15.263 141 HG23 VAL 18 3HG2 VAL 18 -0.674 -4.936 -16.441 142 H GLU 19 H GLU 19 1.084 -4.863 -16.125 143 HA GLU 19 HA GLU 19 1.907 -6.833 -14.236 144 HB2 GLU 19 2HB GLU 19 3.095 -5.972 -16.874 145 HB3 GLU 19 1HB GLU 19 3.644 -7.378 -15.970 146 HG2 GLU 19 2HG GLU 19 0.804 -6.935 -16.931 147 HG3 GLU 19 1HG GLU 19 1.983 -7.982 -17.713 148 H HIS 20 H HIS 20 3.398 -3.860 -15.414 149 HA HIS 20 HA HIS 20 5.877 -4.151 -13.991 150 HB2 HIS 20 2HB HIS 20 5.821 -2.549 -15.768 151 HB3 HIS 20 1HB HIS 20 4.422 -1.728 -15.066 152 HD1 HIS 20 1HD HIS 20 8.126 -1.999 -14.806 153 HD2 HIS 20 2HD HIS 20 5.022 -0.198 -12.668 154 HE1 HIS 20 1HE HIS 20 9.207 -0.413 -13.156 155 HE2 HIS 20 2HE HIS 20 7.331 0.695 -11.866 156 H CYS 21 H CYS 21 2.826 -2.513 -13.215 157 HA CYS 21 HA CYS 21 3.545 -1.240 -10.838 158 HB2 CYS 21 2HB CYS 21 0.992 -2.563 -11.735 159 HB3 CYS 21 1HB CYS 21 1.110 -1.816 -10.147 160 HG CYS 21 HG CYS 21 0.971 0.419 -11.199 161 H PHE 22 H PHE 22 2.510 -4.616 -11.279 162 HA PHE 22 HA PHE 22 2.964 -5.129 -8.440 163 HB2 PHE 22 2HB PHE 22 1.691 -6.560 -10.643 164 HB3 PHE 22 1HB PHE 22 2.629 -7.611 -9.568 165 HD1 PHE 22 1HD PHE 22 1.952 -8.020 -7.324 166 HD2 PHE 22 2HD PHE 22 0.015 -4.978 -9.652 167 HE1 PHE 22 1HE PHE 22 0.276 -7.715 -5.523 168 HE2 PHE 22 2HE PHE 22 -1.668 -4.676 -7.864 169 HZ PHE 22 HZ PHE 22 -1.530 -6.038 -5.798 170 H GLU 23 H GLU 23 4.729 -5.615 -11.436 171 HA GLU 23 HA GLU 23 6.633 -7.484 -10.434 172 HB2 GLU 23 2HB GLU 23 6.513 -6.827 -12.823 173 HB3 GLU 23 1HB GLU 23 7.085 -5.219 -12.388 174 HG2 GLU 23 2HG GLU 23 9.155 -6.214 -11.460 175 HG3 GLU 23 1HG GLU 23 8.597 -7.810 -11.972 176 H VAL 24 H VAL 24 6.457 -3.949 -10.305 177 HA VAL 24 HA VAL 24 8.943 -3.622 -8.902 178 HB VAL 24 HB VAL 24 6.502 -1.848 -9.177 179 HG11 VAL 24 1HG1 VAL 24 8.088 -0.068 -8.342 180 HG12 VAL 24 2HG1 VAL 24 9.180 -1.361 -7.854 181 HG13 VAL 24 3HG1 VAL 24 7.583 -1.229 -7.120 182 HG21 VAL 24 1HG2 VAL 24 7.629 -2.038 -11.265 183 HG22 VAL 24 2HG2 VAL 24 9.218 -2.020 -10.500 184 HG23 VAL 24 3HG2 VAL 24 8.252 -0.548 -10.557 185 H PHE 25 H PHE 25 5.550 -3.918 -7.855 186 HA PHE 25 HA PHE 25 5.874 -3.372 -5.108 187 HB2 PHE 25 2HB PHE 25 4.082 -5.391 -6.488 188 HB3 PHE 25 1HB PHE 25 3.946 -4.969 -4.793 189 HD1 PHE 25 1HD PHE 25 4.957 -2.060 -6.667 190 HD2 PHE 25 2HD PHE 25 1.540 -4.495 -5.685 191 HE1 PHE 25 1HE PHE 25 3.454 -0.194 -7.227 192 HE2 PHE 25 2HE PHE 25 0.049 -2.614 -6.257 193 HZ PHE 25 HZ PHE 25 1.007 -0.470 -7.022 194 H THR 26 H THR 26 6.249 -6.468 -6.836 195 HA THR 26 HA THR 26 7.147 -7.787 -4.406 196 HB THR 26 HB THR 26 7.481 -9.743 -5.890 197 HG1 THR 26 1HG THR 26 7.050 -9.549 -8.031 198 HG21 THR 26 1HG2 THR 26 4.893 -8.218 -5.833 199 HG22 THR 26 2HG2 THR 26 5.338 -9.679 -4.949 200 HG23 THR 26 3HG2 THR 26 4.991 -9.764 -6.677 201 H SER 27 H SER 27 8.666 -5.719 -6.533 202 HA SER 27 HA SER 27 11.270 -7.110 -6.354 203 HB2 SER 27 2HB SER 27 12.058 -5.528 -7.924 204 HB3 SER 27 1HB SER 27 10.419 -5.880 -8.444 205 HG SER 27 HG SER 27 10.666 -3.668 -8.392 206 H ARG 28 H ARG 28 10.333 -3.678 -5.832 207 HA ARG 28 HA ARG 28 11.323 -3.655 -3.100 208 HB2 ARG 28 2HB ARG 28 13.264 -2.141 -3.582 209 HB3 ARG 28 1HB ARG 28 13.495 -3.790 -4.146 210 HG2 ARG 28 2HG ARG 28 12.230 -1.891 -6.067 211 HG3 ARG 28 1HG ARG 28 13.930 -1.619 -5.711 212 HD2 ARG 28 2HD ARG 28 13.385 -4.442 -6.212 213 HD3 ARG 28 1HD ARG 28 12.894 -3.428 -7.563 214 HE ARG 28 HE ARG 28 15.642 -3.858 -6.642 215 HH11 ARG 28 1HH1 ARG 28 17.228 -2.901 -7.936 216 HH12 ARG 28 2HH1 ARG 28 16.766 -1.724 -9.121 217 HH21 ARG 28 1HH2 ARG 28 13.388 -1.898 -8.363 218 HH22 ARG 28 2HH2 ARG 28 14.593 -1.157 -9.362 219 HA PRO 29 HA PRO 29 8.475 -0.207 -4.685 220 HB2 PRO 29 2HB PRO 29 6.920 -0.350 -2.345 221 HB3 PRO 29 1HB PRO 29 6.501 -1.015 -3.932 222 HG2 PRO 29 2HG PRO 29 7.571 -2.368 -1.540 223 HG3 PRO 29 1HG PRO 29 6.536 -2.993 -2.832 224 HD2 PRO 29 2HD PRO 29 9.175 -3.626 -2.620 225 HD3 PRO 29 1HD PRO 29 8.328 -3.562 -4.176 226 H ALA 30 H ALA 30 10.036 -0.772 -1.551 227 HA ALA 30 HA ALA 30 9.736 1.969 -0.646 228 HB1 ALA 30 1HB ALA 30 10.169 0.507 1.121 229 HB2 ALA 30 2HB ALA 30 11.760 1.216 0.850 230 HB3 ALA 30 3HB ALA 30 11.391 -0.380 0.214 231 H ASP 31 H ASP 31 12.227 0.192 -2.402 232 HA ASP 31 HA ASP 31 14.322 2.065 -2.321 233 HB2 ASP 31 2HB ASP 31 14.447 -0.216 -3.337 234 HB3 ASP 31 1HB ASP 31 13.541 0.395 -4.722 235 H TRP 32 H TRP 32 11.244 2.382 -3.895 236 HA TRP 32 HA TRP 32 11.747 3.989 -6.100 237 HB2 TRP 32 2HB TRP 32 9.642 4.269 -3.956 238 HB3 TRP 32 1HB TRP 32 9.705 5.375 -5.318 239 HD1 TRP 32 HD TRP 32 10.372 3.249 -7.624 240 HE1 TRP 32 1HE TRP 32 8.544 1.607 -8.357 241 HE3 TRP 32 3HE TRP 32 7.382 3.380 -3.506 242 HZ2 TRP 32 2HZ TRP 32 6.117 0.494 -7.333 243 HZ3 TRP 32 3HZ TRP 32 5.311 2.031 -3.405 244 HH2 TRP 32 HH TRP 32 4.672 0.589 -5.310 245 H TRP 33 H TRP 33 11.958 4.933 -2.687 246 HA TRP 33 HA TRP 33 12.858 7.637 -3.523 247 HB2 TRP 33 2HB TRP 33 11.961 6.450 -0.903 248 HB3 TRP 33 1HB TRP 33 12.781 8.007 -0.972 249 HD1 TRP 33 HD TRP 33 9.444 6.663 -0.950 250 HE1 TRP 33 1HE TRP 33 7.735 8.298 -1.975 251 HE3 TRP 33 3HE TRP 33 12.617 9.903 -3.299 252 HZ2 TRP 33 2HZ TRP 33 7.717 10.668 -3.580 253 HZ3 TRP 33 3HZ TRP 33 11.728 11.837 -4.567 254 HH2 TRP 33 HH TRP 33 9.284 12.223 -4.710 255 HA PRO 34 HA PRO 34 16.983 5.918 -2.664 256 HB2 PRO 34 2HB PRO 34 18.433 7.934 -3.781 257 HB3 PRO 34 1HB PRO 34 17.649 6.667 -4.741 258 HG2 PRO 34 2HG PRO 34 16.834 9.477 -4.292 259 HG3 PRO 34 1HG PRO 34 16.636 8.455 -5.722 260 HD2 PRO 34 2HD PRO 34 14.632 9.017 -3.867 261 HD3 PRO 34 1HD PRO 34 14.611 7.658 -5.010 262 HA PRO 35 HA PRO 35 18.229 7.889 1.073 263 HB2 PRO 35 2HB PRO 35 21.002 8.039 0.679 264 HB3 PRO 35 1HB PRO 35 20.119 6.653 1.342 265 HG2 PRO 35 2HG PRO 35 21.155 7.104 -1.396 266 HG3 PRO 35 1HG PRO 35 20.991 5.598 -0.479 267 HD2 PRO 35 2HD PRO 35 19.290 6.253 -2.492 268 HD3 PRO 35 1HD PRO 35 18.763 5.316 -1.075 269 H SER 36 H SER 36 19.327 9.315 -1.947 270 HA SER 36 HA SER 36 20.467 11.715 -0.944 271 HB2 SER 36 2HB SER 36 18.830 11.403 -3.476 272 HB3 SER 36 1HB SER 36 20.019 12.660 -3.144 273 HG SER 36 HG SER 36 20.495 10.423 -4.301 274 H HIS 37 H HIS 37 17.085 10.861 -1.612 275 HA HIS 37 HA HIS 37 16.181 12.904 0.275 276 HB2 HIS 37 2HB HIS 37 16.512 14.207 -1.838 277 HB3 HIS 37 1HB HIS 37 15.366 13.133 -2.640 278 HD1 HIS 37 1HD HIS 37 15.398 15.218 0.571 279 HD2 HIS 37 2HD HIS 37 12.815 14.165 -2.532 280 HE1 HIS 37 1HE HIS 37 13.212 16.422 1.016 281 HE2 HIS 37 2HE HIS 37 11.633 15.787 -0.866 282 H VAL 38 H VAL 38 14.570 11.861 1.354 283 HA VAL 38 HA VAL 38 12.707 10.155 -0.232 284 HB VAL 38 HB VAL 38 14.347 8.679 0.857 285 HG11 VAL 38 1HG1 VAL 38 15.138 9.124 2.920 286 HG12 VAL 38 2HG1 VAL 38 13.509 9.106 3.594 287 HG13 VAL 38 3HG1 VAL 38 14.170 10.595 2.922 288 HG21 VAL 38 1HG2 VAL 38 12.036 8.254 2.638 289 HG22 VAL 38 2HG2 VAL 38 12.728 7.180 1.422 290 HG23 VAL 38 3HG2 VAL 38 11.610 8.456 0.939 291 H LEU 39 H LEU 39 10.575 10.328 0.369 292 HA LEU 39 HA LEU 39 9.811 12.520 2.096 293 HB2 LEU 39 2HB LEU 39 8.106 10.285 0.951 294 HB3 LEU 39 1HB LEU 39 7.510 11.802 1.626 295 HG LEU 39 HG LEU 39 9.288 11.511 -0.815 296 HD11 LEU 39 1HD1 LEU 39 7.053 10.921 -1.406 297 HD12 LEU 39 2HD1 LEU 39 7.239 12.607 -1.890 298 HD13 LEU 39 3HD1 LEU 39 6.373 12.206 -0.407 299 HD21 LEU 39 1HD2 LEU 39 8.548 14.060 -0.906 300 HD22 LEU 39 2HD2 LEU 39 9.953 13.568 0.040 301 HD23 LEU 39 3HD2 LEU 39 8.407 13.852 0.839 302 H VAL 40 H VAL 40 9.984 9.002 2.493 303 HA VAL 40 HA VAL 40 8.561 8.941 5.006 304 HB VAL 40 HB VAL 40 10.631 7.006 3.905 305 HG11 VAL 40 1HG1 VAL 40 10.164 6.809 6.370 306 HG12 VAL 40 2HG1 VAL 40 9.674 5.389 5.448 307 HG13 VAL 40 3HG1 VAL 40 8.464 6.556 5.980 308 HG21 VAL 40 1HG2 VAL 40 8.006 5.976 3.741 309 HG22 VAL 40 2HG2 VAL 40 9.042 6.472 2.403 310 HG23 VAL 40 3HG2 VAL 40 7.920 7.626 3.122 311 H LYS 41 H LYS 41 9.279 9.701 6.931 312 HA LYS 41 HA LYS 41 11.892 10.808 7.298 313 HB2 LYS 41 2HB LYS 41 9.873 11.414 8.658 314 HB3 LYS 41 1HB LYS 41 9.991 9.842 9.444 315 HG2 LYS 41 2HG LYS 41 12.288 10.402 10.195 316 HG3 LYS 41 1HG LYS 41 12.122 11.996 9.459 317 HD2 LYS 41 2HD LYS 41 10.123 12.401 10.913 318 HD3 LYS 41 1HD LYS 41 10.446 10.866 11.718 319 HE2 LYS 41 2HE LYS 41 12.881 11.919 11.967 320 HE3 LYS 41 1HE LYS 41 11.981 13.430 11.834 321 HZ1 LYS 41 1HZ LYS 41 11.655 11.280 13.842 322 HZ2 LYS 41 2HZ LYS 41 10.472 12.474 13.594 323 HZ3 LYS 41 3HZ LYS 41 12.031 12.913 14.106 324 H LYS 42 H LYS 42 10.476 7.667 8.060 325 HA LYS 42 HA LYS 42 12.931 6.699 9.338 326 HB2 LYS 42 2HB LYS 42 10.571 5.943 9.935 327 HB3 LYS 42 1HB LYS 42 10.555 5.071 8.402 328 HG2 LYS 42 2HG LYS 42 12.445 3.722 9.071 329 HG3 LYS 42 1HG LYS 42 12.679 4.690 10.527 330 HD2 LYS 42 2HD LYS 42 11.514 2.683 11.184 331 HD3 LYS 42 1HD LYS 42 10.355 4.010 11.247 332 HE2 LYS 42 2HE LYS 42 9.309 3.346 9.228 333 HE3 LYS 42 1HE LYS 42 10.660 2.307 8.774 334 HZ1 LYS 42 1HZ LYS 42 8.958 0.905 9.568 335 HZ2 LYS 42 2HZ LYS 42 8.682 1.872 10.937 336 HZ3 LYS 42 3HZ LYS 42 10.116 0.972 10.804 337 H GLU 43 H GLU 43 14.436 5.300 8.364 338 HA GLU 43 HA GLU 43 14.418 5.329 5.416 339 HB2 GLU 43 2HB GLU 43 16.482 4.347 7.391 340 HB3 GLU 43 1HB GLU 43 16.715 4.424 5.647 341 HG2 GLU 43 2HG GLU 43 16.292 6.872 5.725 342 HG3 GLU 43 1HG GLU 43 16.145 6.773 7.480 343 H ARG 44 H ARG 44 13.684 3.633 4.246 344 HA ARG 44 HA ARG 44 12.818 1.182 5.528 345 HB2 ARG 44 2HB ARG 44 13.206 1.098 2.603 346 HB3 ARG 44 1HB ARG 44 11.762 0.764 3.555 347 HG2 ARG 44 2HG ARG 44 11.147 2.725 2.427 348 HG3 ARG 44 1HG ARG 44 11.735 3.355 3.964 349 HD2 ARG 44 2HD ARG 44 14.049 3.172 2.455 350 HD3 ARG 44 1HD ARG 44 12.848 3.684 1.270 351 HE ARG 44 HE ARG 44 12.336 5.424 3.275 352 HH11 ARG 44 1HH1 ARG 44 13.487 7.306 3.760 353 HH12 ARG 44 2HH1 ARG 44 15.158 7.423 3.316 354 HH21 ARG 44 1HH2 ARG 44 15.278 4.271 1.886 355 HH22 ARG 44 2HH2 ARG 44 16.168 5.709 2.254 356 H ALA 45 H ALA 45 13.859 -0.833 5.505 357 HA ALA 45 HA ALA 45 16.732 -0.745 4.684 358 HB1 ALA 45 1HB ALA 45 16.441 -2.965 6.292 359 HB2 ALA 45 2HB ALA 45 15.297 -1.827 7.002 360 HB3 ALA 45 3HB ALA 45 16.995 -1.382 6.838 361 H GLY 46 H GLY 46 13.878 -2.892 4.709 362 HA2 GLY 46 2HA GLY 46 14.715 -4.036 2.146 363 HA3 GLY 46 1HA GLY 46 14.864 -5.160 3.493 364 H LEU 47 H LEU 47 13.153 -5.979 1.627 365 HA LEU 47 HA LEU 47 10.544 -5.701 2.982 366 HB2 LEU 47 2HB LEU 47 10.799 -5.300 -0.015 367 HB3 LEU 47 1HB LEU 47 9.324 -5.217 0.942 368 HG LEU 47 HG LEU 47 10.544 -3.325 2.251 369 HD11 LEU 47 1HD1 LEU 47 12.596 -4.028 0.463 370 HD12 LEU 47 2HD1 LEU 47 12.544 -2.595 1.484 371 HD13 LEU 47 3HD1 LEU 47 11.944 -2.523 -0.170 372 HD21 LEU 47 1HD2 LEU 47 9.810 -2.737 -0.622 373 HD22 LEU 47 2HD2 LEU 47 9.616 -1.686 0.779 374 HD23 LEU 47 3HD2 LEU 47 8.603 -3.115 0.607 375 H ALA 48 H ALA 48 9.424 -7.631 2.943 376 HA ALA 48 HA ALA 48 10.600 -9.828 1.299 377 HB1 ALA 48 1HB ALA 48 9.860 -11.339 2.902 378 HB2 ALA 48 2HB ALA 48 8.494 -10.329 3.372 379 HB3 ALA 48 3HB ALA 48 10.119 -9.928 3.925 380 H PHE 49 H PHE 49 9.337 -10.672 -0.375 381 HA PHE 49 HA PHE 49 6.484 -9.805 -0.474 382 HB2 PHE 49 2HB PHE 49 8.708 -9.074 -2.250 383 HB3 PHE 49 1HB PHE 49 7.260 -9.637 -3.082 384 HD1 PHE 49 1HD PHE 49 5.147 -8.441 -2.883 385 HD2 PHE 49 2HD PHE 49 8.697 -7.023 -0.940 386 HE1 PHE 49 1HE PHE 49 4.092 -6.223 -2.588 387 HE2 PHE 49 2HE PHE 49 7.645 -4.797 -0.639 388 HZ PHE 49 HZ PHE 49 5.346 -4.394 -1.476 389 H GLU 50 H GLU 50 5.185 -11.534 -0.892 390 HA GLU 50 HA GLU 50 6.256 -13.634 -2.730 391 HB2 GLU 50 2HB GLU 50 4.784 -14.120 -0.140 392 HB3 GLU 50 1HB GLU 50 5.145 -15.370 -1.321 393 HG2 GLU 50 2HG GLU 50 7.278 -13.605 -0.134 394 HG3 GLU 50 1HG GLU 50 6.766 -15.100 0.647 395 HA PRO 51 HA PRO 51 2.188 -12.753 -4.504 396 HB2 PRO 51 2HB PRO 51 2.250 -14.354 -6.636 397 HB3 PRO 51 1HB PRO 51 3.367 -12.981 -6.494 398 HG2 PRO 51 2HG PRO 51 3.867 -15.882 -6.004 399 HG3 PRO 51 1HG PRO 51 4.889 -14.687 -6.822 400 HD2 PRO 51 2HD PRO 51 5.216 -15.478 -4.173 401 HD3 PRO 51 1HD PRO 51 5.812 -13.949 -4.861 402 H PHE 52 H PHE 52 0.109 -13.567 -4.083 403 HA PHE 52 HA PHE 52 -0.789 -16.218 -4.370 404 HB2 PHE 52 2HB PHE 52 -0.846 -16.734 -1.786 405 HB3 PHE 52 1HB PHE 52 0.583 -17.138 -2.729 406 HD1 PHE 52 1HD PHE 52 0.008 -13.555 -2.206 407 HD2 PHE 52 2HD PHE 52 1.811 -17.071 -0.505 408 HE1 PHE 52 1HE PHE 52 1.423 -12.139 -0.813 409 HE2 PHE 52 2HE PHE 52 3.205 -15.619 0.944 410 HZ PHE 52 HZ PHE 52 3.001 -13.147 0.789 411 H VAL 53 H VAL 53 -2.620 -16.682 -2.564 412 HA VAL 53 HA VAL 53 -4.395 -14.300 -2.581 413 HB VAL 53 HB VAL 53 -4.976 -17.207 -1.973 414 HG11 VAL 53 1HG1 VAL 53 -7.232 -16.663 -1.792 415 HG12 VAL 53 2HG1 VAL 53 -7.046 -15.168 -2.701 416 HG13 VAL 53 3HG1 VAL 53 -6.483 -15.259 -1.035 417 HG21 VAL 53 1HG2 VAL 53 -6.184 -17.018 -4.228 418 HG22 VAL 53 2HG2 VAL 53 -4.421 -17.063 -4.282 419 HG23 VAL 53 3HG2 VAL 53 -5.270 -15.528 -4.463 420 H GLY 54 H GLY 54 -5.140 -13.430 -0.540 421 HA2 GLY 54 2HA GLY 54 -5.006 -13.085 1.816 422 HA3 GLY 54 1HA GLY 54 -4.673 -14.820 1.968 423 H GLY 55 H GLY 55 -3.007 -12.729 -0.167 424 HA2 GLY 55 2HA GLY 55 -0.454 -13.634 0.650 425 HA3 GLY 55 1HA GLY 55 -0.796 -12.367 -0.520 426 H ARG 56 H ARG 56 1.442 -12.118 0.939 427 HA ARG 56 HA ARG 56 0.763 -9.757 2.529 428 HB2 ARG 56 2HB ARG 56 2.264 -12.125 3.644 429 HB3 ARG 56 1HB ARG 56 2.237 -10.537 4.412 430 HG2 ARG 56 2HG ARG 56 -0.263 -10.671 4.480 431 HG3 ARG 56 1HG ARG 56 -0.153 -12.318 3.860 432 HD2 ARG 56 2HD ARG 56 1.091 -11.319 6.438 433 HD3 ARG 56 1HD ARG 56 -0.348 -12.331 6.313 434 HE ARG 56 HE ARG 56 2.014 -13.461 5.002 435 HH11 ARG 56 1HH1 ARG 56 2.771 -15.383 5.916 436 HH12 ARG 56 2HH1 ARG 56 2.209 -15.864 7.482 437 HH21 ARG 56 1HH2 ARG 56 0.155 -13.098 7.882 438 HH22 ARG 56 2HH2 ARG 56 0.727 -14.569 8.596 439 H TYR 57 H TYR 57 2.332 -8.269 2.637 440 HA TYR 57 HA TYR 57 4.967 -8.753 1.366 441 HB2 TYR 57 2HB TYR 57 3.385 -6.163 1.284 442 HB3 TYR 57 1HB TYR 57 4.911 -6.492 0.471 443 HD1 TYR 57 1HD TYR 57 4.299 -9.314 -0.561 444 HD2 TYR 57 2HD TYR 57 1.967 -5.706 -0.560 445 HE1 TYR 57 1HE TYR 57 3.061 -10.123 -2.521 446 HE2 TYR 57 2HE TYR 57 0.720 -6.530 -2.536 447 HH TYR 57 HH TYR 57 0.950 -9.772 -3.631 448 H TYR 58 H TYR 58 6.707 -7.517 2.412 449 HA TYR 58 HA TYR 58 5.932 -6.484 5.120 450 HB2 TYR 58 2HB TYR 58 8.222 -8.366 4.503 451 HB3 TYR 58 1HB TYR 58 7.745 -7.769 6.093 452 HD1 TYR 58 1HD TYR 58 6.366 -9.576 3.119 453 HD2 TYR 58 2HD TYR 58 6.176 -8.959 7.365 454 HE1 TYR 58 1HE TYR 58 4.657 -11.337 3.286 455 HE2 TYR 58 2HE TYR 58 4.475 -10.752 7.539 456 HH TYR 58 HH TYR 58 3.101 -12.097 6.398 457 H GLU 59 H GLU 59 7.509 -5.086 6.099 458 HA GLU 59 HA GLU 59 9.497 -3.917 4.196 459 HB2 GLU 59 2HB GLU 59 7.471 -2.454 4.477 460 HB3 GLU 59 1HB GLU 59 7.828 -2.369 6.203 461 HG2 GLU 59 2HG GLU 59 10.078 -1.443 5.659 462 HG3 GLU 59 1HG GLU 59 9.634 -1.442 3.951 463 H TRP 60 H TRP 60 11.492 -3.403 5.149 464 HA TRP 60 HA TRP 60 11.835 -4.364 7.962 465 HB2 TRP 60 2HB TRP 60 13.398 -4.553 5.510 466 HB3 TRP 60 1HB TRP 60 14.355 -3.906 6.842 467 HD1 TRP 60 HD TRP 60 13.836 -5.449 9.257 468 HE1 TRP 60 1HE TRP 60 13.990 -8.019 9.414 469 HE3 TRP 60 3HE TRP 60 13.358 -6.660 4.327 470 HZ2 TRP 60 2HZ TRP 60 13.891 -10.287 7.667 471 HZ3 TRP 60 3HZ TRP 60 13.389 -9.020 3.594 472 HH2 TRP 60 HH TRP 60 13.660 -10.833 5.250 473 H ASP 61 H ASP 61 12.358 -2.850 9.531 474 HA ASP 61 HA ASP 61 13.109 -0.119 8.523 475 HB2 ASP 61 2HB ASP 61 12.707 -0.138 11.358 476 HB3 ASP 61 1HB ASP 61 11.763 0.685 10.125 477 H ILE 62 H ILE 62 15.160 0.675 9.006 478 HA ILE 62 HA ILE 62 17.256 -1.069 9.604 479 HB ILE 62 HB ILE 62 18.658 0.865 9.920 480 HG12 ILE 62 2HG1 ILE 62 17.192 2.112 11.483 481 HG13 ILE 62 1HG1 ILE 62 17.770 3.124 10.176 482 HG21 ILE 62 1HG2 ILE 62 16.697 0.686 7.778 483 HG22 ILE 62 2HG2 ILE 62 18.433 0.987 7.694 484 HG23 ILE 62 3HG2 ILE 62 17.320 2.319 7.995 485 HD11 ILE 62 1HD1 ILE 62 15.480 3.661 10.338 486 HD12 ILE 62 2HD1 ILE 62 15.003 1.986 10.580 487 HD13 ILE 62 3HD1 ILE 62 15.537 2.529 8.994 488 H ASP 63 H ASP 63 15.355 0.875 11.871 489 HA ASP 63 HA ASP 63 16.880 -0.377 14.108 490 HB2 ASP 63 2HB ASP 63 14.991 2.002 14.046 491 HB3 ASP 63 1HB ASP 63 15.718 1.348 15.515 492 H GLY 64 H GLY 64 14.109 -0.658 12.266 493 HA2 GLY 64 2HA GLY 64 12.641 -2.019 14.467 494 HA3 GLY 64 1HA GLY 64 11.854 -1.313 13.062 495 H THR 65 H THR 65 12.161 -4.089 14.274 496 HA THR 65 HA THR 65 13.493 -5.830 12.480 497 HB THR 65 HB THR 65 10.953 -6.458 13.986 498 HG1 THR 65 1HG THR 65 13.051 -5.371 15.010 499 HG21 THR 65 1HG2 THR 65 11.534 -8.404 12.893 500 HG22 THR 65 2HG2 THR 65 12.494 -8.585 14.359 501 HG23 THR 65 3HG2 THR 65 13.253 -8.012 12.877 502 H GLU 66 H GLU 66 11.924 -7.578 11.303 503 HA GLU 66 HA GLU 66 10.665 -6.128 9.112 504 HB2 GLU 66 2HB GLU 66 11.822 -8.417 8.958 505 HB3 GLU 66 1HB GLU 66 10.391 -9.076 9.723 506 HG2 GLU 66 2HG GLU 66 9.025 -8.033 7.919 507 HG3 GLU 66 1HG GLU 66 10.523 -7.591 7.105 508 H ILE 67 H ILE 67 8.434 -5.814 8.833 509 HA ILE 67 HA ILE 67 6.611 -7.094 10.817 510 HB ILE 67 HB ILE 67 6.574 -4.130 10.207 511 HG12 ILE 67 2HG1 ILE 67 7.531 -5.620 12.657 512 HG13 ILE 67 1HG1 ILE 67 8.563 -4.768 11.509 513 HG21 ILE 67 1HG2 ILE 67 4.656 -4.033 11.422 514 HG22 ILE 67 2HG2 ILE 67 5.254 -5.187 12.613 515 HG23 ILE 67 3HG2 ILE 67 4.541 -5.764 11.109 516 HD11 ILE 67 1HD1 ILE 67 7.052 -3.700 13.740 517 HD12 ILE 67 2HD1 ILE 67 6.579 -2.917 12.233 518 HD13 ILE 67 3HD1 ILE 67 8.268 -2.905 12.739 519 H VAL 68 H VAL 68 4.554 -7.514 10.040 520 HA VAL 68 HA VAL 68 4.149 -7.449 7.179 521 HB VAL 68 HB VAL 68 3.154 -9.222 8.580 522 HG11 VAL 68 1HG1 VAL 68 1.240 -7.152 9.649 523 HG12 VAL 68 2HG1 VAL 68 2.732 -7.543 10.501 524 HG13 VAL 68 3HG1 VAL 68 1.517 -8.792 10.230 525 HG21 VAL 68 1HG2 VAL 68 0.919 -7.517 7.462 526 HG22 VAL 68 2HG2 VAL 68 1.028 -9.276 7.501 527 HG23 VAL 68 3HG2 VAL 68 2.069 -8.352 6.416 528 H TRP 69 H TRP 69 3.519 -5.721 6.089 529 HA TRP 69 HA TRP 69 2.507 -3.318 7.446 530 HB2 TRP 69 2HB TRP 69 3.255 -2.231 5.560 531 HB3 TRP 69 1HB TRP 69 4.189 -3.717 5.369 532 HD1 TRP 69 HD TRP 69 2.484 -1.633 3.194 533 HE1 TRP 69 1HE TRP 69 1.183 -2.857 1.339 534 HE3 TRP 69 3HE TRP 69 2.336 -6.386 5.090 535 HZ2 TRP 69 2HZ TRP 69 0.168 -5.439 0.747 536 HZ3 TRP 69 3HZ TRP 69 1.189 -8.163 3.898 537 HH2 TRP 69 HH TRP 69 0.107 -7.727 1.705 538 H GLY 70 H GLY 70 1.013 -6.007 5.918 539 HA2 GLY 70 2HA GLY 70 -1.636 -5.003 6.084 540 HA3 GLY 70 1HA GLY 70 -1.055 -4.748 4.439 541 H ARG 71 H ARG 71 -2.860 -6.319 3.987 542 HA ARG 71 HA ARG 71 -1.784 -9.075 3.905 543 HB2 ARG 71 2HB ARG 71 -3.877 -8.395 5.632 544 HB3 ARG 71 1HB ARG 71 -4.680 -9.072 4.219 545 HG2 ARG 71 2HG ARG 71 -3.116 -11.018 4.310 546 HG3 ARG 71 1HG ARG 71 -2.493 -10.389 5.832 547 HD2 ARG 71 2HD ARG 71 -4.835 -10.446 6.740 548 HD3 ARG 71 1HD ARG 71 -5.337 -11.244 5.251 549 HE ARG 71 HE ARG 71 -3.300 -12.859 6.106 550 HH11 ARG 71 1HH1 ARG 71 -3.555 -14.560 7.575 551 HH12 ARG 71 2HH1 ARG 71 -4.849 -14.504 8.726 552 HH21 ARG 71 1HH2 ARG 71 -6.057 -11.447 7.622 553 HH22 ARG 71 2HH2 ARG 71 -6.265 -12.743 8.753 554 H ILE 72 H ILE 72 -3.573 -10.300 2.435 555 HA ILE 72 HA ILE 72 -4.365 -8.489 0.235 556 HB ILE 72 HB ILE 72 -2.400 -10.689 0.134 557 HG12 ILE 72 2HG1 ILE 72 -2.835 -8.494 -1.862 558 HG13 ILE 72 1HG1 ILE 72 -2.166 -8.132 -0.274 559 HG21 ILE 72 1HG2 ILE 72 -4.185 -11.750 -1.156 560 HG22 ILE 72 2HG2 ILE 72 -2.939 -11.163 -2.253 561 HG23 ILE 72 3HG2 ILE 72 -4.434 -10.256 -2.064 562 HD11 ILE 72 1HD1 ILE 72 -0.184 -9.181 -0.716 563 HD12 ILE 72 2HD1 ILE 72 -0.648 -8.845 -2.383 564 HD13 ILE 72 3HD1 ILE 72 -0.955 -10.433 -1.692 565 H LEU 73 H LEU 73 -5.956 -9.705 -1.292 566 HA LEU 73 HA LEU 73 -7.586 -11.584 0.366 567 HB2 LEU 73 2HB LEU 73 -8.352 -9.399 -1.544 568 HB3 LEU 73 1HB LEU 73 -9.459 -10.734 -1.232 569 HG LEU 73 HG LEU 73 -8.183 -9.377 1.109 570 HD11 LEU 73 1HD1 LEU 73 -9.868 -7.639 1.145 571 HD12 LEU 73 2HD1 LEU 73 -10.629 -8.288 -0.308 572 HD13 LEU 73 3HD1 LEU 73 -9.027 -7.559 -0.402 573 HD21 LEU 73 1HD2 LEU 73 -10.451 -9.898 2.070 574 HD22 LEU 73 2HD2 LEU 73 -9.579 -11.323 1.510 575 HD23 LEU 73 3HD2 LEU 73 -10.880 -10.645 0.533 576 H GLU 74 H GLU 74 -6.872 -10.761 -3.027 577 HA GLU 74 HA GLU 74 -6.207 -13.403 -3.851 578 HB2 GLU 74 2HB GLU 74 -8.690 -13.735 -3.358 579 HB3 GLU 74 1HB GLU 74 -9.021 -12.583 -4.649 580 HG2 GLU 74 2HG GLU 74 -7.787 -14.032 -6.239 581 HG3 GLU 74 1HG GLU 74 -7.511 -15.197 -4.944 582 H TRP 75 H TRP 75 -5.908 -13.463 -6.245 583 HA TRP 75 HA TRP 75 -5.695 -10.707 -7.371 584 HB2 TRP 75 2HB TRP 75 -3.982 -11.649 -8.873 585 HB3 TRP 75 1HB TRP 75 -3.566 -11.964 -7.186 586 HD1 TRP 75 HD TRP 75 -4.307 -14.462 -6.246 587 HE1 TRP 75 1HE TRP 75 -4.248 -16.726 -7.479 588 HE3 TRP 75 3HE TRP 75 -4.151 -12.830 -11.082 589 HZ2 TRP 75 2HZ TRP 75 -4.146 -17.714 -10.161 590 HZ3 TRP 75 3HZ TRP 75 -4.072 -14.452 -12.954 591 HH2 TRP 75 HH TRP 75 -4.070 -16.889 -12.500 592 H ASP 76 H ASP 76 -6.986 -10.215 -9.135 593 HA ASP 76 HA ASP 76 -8.727 -12.348 -10.150 594 HB2 ASP 76 2HB ASP 76 -8.901 -9.491 -9.937 595 HB3 ASP 76 1HB ASP 76 -9.165 -9.961 -11.617 596 HA PRO 77 HA PRO 77 -6.245 -13.593 -13.586 597 HB2 PRO 77 2HB PRO 77 -8.429 -13.496 -15.474 598 HB3 PRO 77 1HB PRO 77 -7.637 -14.901 -14.756 599 HG2 PRO 77 2HG PRO 77 -10.162 -13.684 -14.068 600 HG3 PRO 77 1HG PRO 77 -9.480 -15.229 -13.545 601 HD2 PRO 77 2HD PRO 77 -9.817 -13.015 -11.919 602 HD3 PRO 77 1HD PRO 77 -8.694 -14.349 -11.582 603 HA PRO 78 HA PRO 78 -7.057 -10.093 -16.829 604 HB2 PRO 78 2HB PRO 78 -8.530 -7.938 -15.822 605 HB3 PRO 78 1HB PRO 78 -9.166 -9.191 -16.892 606 HG2 PRO 78 2HG PRO 78 -9.389 -8.949 -13.937 607 HG3 PRO 78 1HG PRO 78 -10.587 -9.497 -15.124 608 HD2 PRO 78 2HD PRO 78 -9.242 -11.251 -13.588 609 HD3 PRO 78 1HD PRO 78 -9.672 -11.635 -15.269 610 H HIS 79 H HIS 79 -7.406 -7.403 -14.769 611 HA HIS 79 HA HIS 79 -4.648 -7.665 -13.743 612 HB2 HIS 79 2HB HIS 79 -4.688 -5.077 -14.496 613 HB3 HIS 79 1HB HIS 79 -4.135 -6.356 -15.573 614 HD1 HIS 79 1HD HIS 79 -7.663 -5.245 -14.603 615 HD2 HIS 79 2HD HIS 79 -5.379 -5.958 -18.020 616 HE1 HIS 79 1HE HIS 79 -9.210 -4.914 -16.576 617 HE2 HIS 79 2HE HIS 79 -7.832 -5.344 -18.664 618 H ARG 80 H ARG 80 -6.600 -8.195 -12.082 619 HA ARG 80 HA ARG 80 -7.044 -5.632 -10.606 620 HB2 ARG 80 2HB ARG 80 -9.160 -5.972 -11.606 621 HB3 ARG 80 1HB ARG 80 -9.093 -7.715 -11.354 622 HG2 ARG 80 2HG ARG 80 -9.409 -7.472 -8.990 623 HG3 ARG 80 1HG ARG 80 -9.160 -5.727 -9.073 624 HD2 ARG 80 2HD ARG 80 -11.528 -6.073 -8.926 625 HD3 ARG 80 1HD ARG 80 -11.191 -5.625 -10.596 626 HE ARG 80 HE ARG 80 -11.153 -8.502 -10.223 627 HH11 ARG 80 1HH1 ARG 80 -12.870 -9.647 -11.146 628 HH12 ARG 80 2HH1 ARG 80 -14.299 -8.795 -11.631 629 HH21 ARG 80 1HH2 ARG 80 -13.114 -5.695 -10.626 630 HH22 ARG 80 2HH2 ARG 80 -14.437 -6.559 -11.336 631 H LEU 81 H LEU 81 -6.787 -5.772 -8.429 632 HA LEU 81 HA LEU 81 -6.595 -8.470 -7.208 633 HB2 LEU 81 2HB LEU 81 -4.504 -6.298 -7.009 634 HB3 LEU 81 1HB LEU 81 -4.527 -7.743 -6.006 635 HG LEU 81 HG LEU 81 -4.754 -8.846 -8.487 636 HD11 LEU 81 1HD1 LEU 81 -3.010 -6.383 -8.724 637 HD12 LEU 81 2HD1 LEU 81 -4.499 -6.694 -9.613 638 HD13 LEU 81 3HD1 LEU 81 -3.072 -7.688 -9.907 639 HD21 LEU 81 1HD2 LEU 81 -3.174 -9.725 -6.976 640 HD22 LEU 81 2HD2 LEU 81 -2.380 -8.166 -6.760 641 HD23 LEU 81 3HD2 LEU 81 -2.166 -9.063 -8.264 642 H ALA 82 H ALA 82 -7.664 -8.524 -5.315 643 HA ALA 82 HA ALA 82 -8.381 -5.926 -4.017 644 HB1 ALA 82 1HB ALA 82 -10.048 -7.451 -2.764 645 HB2 ALA 82 2HB ALA 82 -9.646 -8.682 -3.962 646 HB3 ALA 82 3HB ALA 82 -10.383 -7.163 -4.471 647 H MET 83 H MET 83 -7.881 -5.772 -1.680 648 HA MET 83 HA MET 83 -6.312 -8.053 -0.650 649 HB2 MET 83 2HB MET 83 -4.615 -6.154 0.122 650 HB3 MET 83 1HB MET 83 -4.466 -6.950 -1.445 651 HG2 MET 83 2HG MET 83 -5.729 -5.140 -2.514 652 HG3 MET 83 1HG MET 83 -5.950 -4.352 -0.951 653 HE1 MET 83 1HE MET 83 -3.809 -5.506 -3.704 654 HE2 MET 83 2HE MET 83 -2.636 -6.137 -2.553 655 HE3 MET 83 3HE MET 83 -2.228 -4.733 -3.535 656 H THR 84 H THR 84 -6.140 -8.237 1.580 657 HA THR 84 HA THR 84 -7.856 -6.329 3.129 658 HB THR 84 HB THR 84 -6.911 -9.144 3.782 659 HG1 THR 84 1HG THR 84 -9.578 -8.466 3.747 660 HG21 THR 84 1HG2 THR 84 -8.593 -8.779 5.720 661 HG22 THR 84 2HG2 THR 84 -8.369 -7.060 5.396 662 HG23 THR 84 3HG2 THR 84 -6.993 -8.055 5.869 663 H TRP 85 H TRP 85 -6.889 -5.382 5.076 664 HA TRP 85 HA TRP 85 -3.927 -5.326 4.875 665 HB2 TRP 85 2HB TRP 85 -5.992 -3.475 6.000 666 HB3 TRP 85 1HB TRP 85 -4.327 -3.370 6.578 667 HD1 TRP 85 HD TRP 85 -5.030 -4.365 2.977 668 HE1 TRP 85 1HE TRP 85 -4.197 -2.494 1.411 669 HE3 TRP 85 3HE TRP 85 -3.885 -0.776 6.423 670 HZ2 TRP 85 2HZ TRP 85 -3.179 0.173 1.597 671 HZ3 TRP 85 3HZ TRP 85 -2.987 1.417 5.703 672 HH2 TRP 85 HH TRP 85 -2.633 1.897 3.296 673 H ARG 86 H ARG 86 -2.661 -6.366 6.346 674 HA ARG 86 HA ARG 86 -3.906 -7.096 8.973 675 HB2 ARG 86 2HB ARG 86 -3.260 -9.075 7.652 676 HB3 ARG 86 1HB ARG 86 -1.620 -8.447 7.497 677 HG2 ARG 86 2HG ARG 86 -1.371 -8.530 9.958 678 HG3 ARG 86 1HG ARG 86 -3.008 -9.173 10.095 679 HD2 ARG 86 2HD ARG 86 -2.311 -11.093 8.639 680 HD3 ARG 86 1HD ARG 86 -0.659 -10.479 8.695 681 HE ARG 86 HE ARG 86 -1.303 -10.694 11.356 682 HH11 ARG 86 1HH1 ARG 86 -1.045 -12.593 12.563 683 HH12 ARG 86 2HH1 ARG 86 -1.077 -14.126 11.757 684 HH21 ARG 86 1HH2 ARG 86 -1.568 -12.760 8.609 685 HH22 ARG 86 2HH2 ARG 86 -1.373 -14.220 9.520 686 H ILE 87 H ILE 87 -3.302 -5.186 10.064 687 HA ILE 87 HA ILE 87 -0.419 -5.010 10.718 688 HB ILE 87 HB ILE 87 -1.050 -3.390 8.790 689 HG12 ILE 87 2HG1 ILE 87 0.066 -2.126 11.309 690 HG13 ILE 87 1HG1 ILE 87 0.984 -3.277 10.338 691 HG21 ILE 87 1HG2 ILE 87 -2.255 -1.427 9.355 692 HG22 ILE 87 2HG2 ILE 87 -2.157 -1.767 11.082 693 HG23 ILE 87 3HG2 ILE 87 -3.201 -2.744 10.049 694 HD11 ILE 87 1HD1 ILE 87 -0.285 -1.039 8.854 695 HD12 ILE 87 2HD1 ILE 87 1.289 -1.795 8.621 696 HD13 ILE 87 3HD1 ILE 87 1.065 -0.612 9.906 697 H ASP 88 H ASP 88 -0.061 -3.819 12.737 698 HA ASP 88 HA ASP 88 -2.512 -3.794 14.430 699 HB2 ASP 88 2HB ASP 88 -0.592 -5.204 15.171 700 HB3 ASP 88 1HB ASP 88 0.369 -3.739 15.324 701 H GLY 89 H GLY 89 -2.329 -2.091 16.244 702 HA2 GLY 89 2HA GLY 89 -2.468 0.494 15.068 703 HA3 GLY 89 1HA GLY 89 -2.391 0.186 16.803 704 H HIS 90 H HIS 90 0.221 -1.142 16.712 705 HA HIS 90 HA HIS 90 1.891 1.290 16.227 706 HB2 HIS 90 2HB HIS 90 1.570 -0.252 18.528 707 HB3 HIS 90 1HB HIS 90 3.131 -0.759 17.885 708 HD1 HIS 90 1HD HIS 90 2.285 1.346 20.362 709 HD2 HIS 90 2HD HIS 90 4.157 2.156 16.722 710 HE1 HIS 90 1HE HIS 90 3.534 3.531 20.669 711 HE2 HIS 90 2HE HIS 90 4.678 4.032 18.462 712 H TRP 91 H TRP 91 1.374 -0.442 14.031 713 HA TRP 91 HA TRP 91 2.520 -1.635 12.366 714 HB2 TRP 91 2HB TRP 91 4.766 -0.201 13.786 715 HB3 TRP 91 1HB TRP 91 5.055 -1.222 12.382 716 HD1 TRP 91 HD TRP 91 3.410 -0.579 10.187 717 HE1 TRP 91 1HE TRP 91 2.874 1.776 9.293 718 HE3 TRP 91 3HE TRP 91 4.503 2.208 14.314 719 HZ2 TRP 91 2HZ TRP 91 2.914 4.476 10.211 720 HZ3 TRP 91 3HZ TRP 91 4.251 4.671 14.281 721 HH2 TRP 91 HH TRP 91 3.455 5.812 12.230 722 H GLN 92 H GLN 92 1.839 -3.168 14.664 723 HA GLN 92 HA GLN 92 4.210 -4.981 14.898 724 HB2 GLN 92 2HB GLN 92 1.838 -4.702 16.771 725 HB3 GLN 92 1HB GLN 92 3.197 -5.803 16.989 726 HG2 GLN 92 2HG GLN 92 4.743 -3.865 17.056 727 HG3 GLN 92 1HG GLN 92 3.363 -2.781 16.878 728 HE21 GLN 92 1HE2 GLN 92 5.072 -2.712 19.200 729 HE22 GLN 92 2HE2 GLN 92 4.152 -3.202 20.540 730 H SER 93 H SER 93 3.776 -7.271 14.745 731 HA SER 93 HA SER 93 1.467 -7.847 12.976 732 HB2 SER 93 2HB SER 93 3.734 -8.581 12.277 733 HB3 SER 93 1HB SER 93 3.844 -9.578 13.726 734 HG SER 93 HG SER 93 1.712 -10.436 12.855 735 H VAL 94 H VAL 94 -0.166 -9.254 13.558 736 HA VAL 94 HA VAL 94 0.052 -10.655 16.177 737 HB VAL 94 HB VAL 94 -2.549 -9.907 16.248 738 HG11 VAL 94 1HG1 VAL 94 -0.114 -8.395 17.230 739 HG12 VAL 94 2HG1 VAL 94 -1.057 -9.596 18.111 740 HG13 VAL 94 3HG1 VAL 94 -1.758 -8.019 17.749 741 HG21 VAL 94 1HG2 VAL 94 -2.901 -7.730 15.400 742 HG22 VAL 94 2HG2 VAL 94 -2.011 -8.535 14.107 743 HG23 VAL 94 3HG2 VAL 94 -1.173 -7.434 15.199 744 HA PRO 95 HA PRO 95 -1.653 -14.176 14.173 745 HB2 PRO 95 2HB PRO 95 -3.827 -14.696 15.920 746 HB3 PRO 95 1HB PRO 95 -2.197 -15.379 16.021 747 HG2 PRO 95 2HG PRO 95 -3.407 -13.156 17.534 748 HG3 PRO 95 1HG PRO 95 -2.113 -14.272 17.997 749 HD2 PRO 95 2HD PRO 95 -1.626 -11.678 17.349 750 HD3 PRO 95 1HD PRO 95 -0.456 -12.976 17.017 751 H ASP 96 H ASP 96 -3.941 -11.670 15.152 752 HA ASP 96 HA ASP 96 -5.211 -11.760 12.526 753 HB2 ASP 96 2HB ASP 96 -6.333 -13.574 14.033 754 HB3 ASP 96 1HB ASP 96 -7.055 -12.187 14.851 755 H ASP 97 H ASP 97 -6.407 -9.837 12.141 756 HA ASP 97 HA ASP 97 -6.018 -7.752 14.230 757 HB2 ASP 97 2HB ASP 97 -6.364 -7.587 11.229 758 HB3 ASP 97 1HB ASP 97 -6.378 -6.178 12.290 759 H ASP 98 H ASP 98 -7.823 -7.264 15.358 760 HA ASP 98 HA ASP 98 -10.471 -8.030 14.464 761 HB2 ASP 98 2HB ASP 98 -9.524 -6.279 16.740 762 HB3 ASP 98 1HB ASP 98 -11.204 -6.745 16.490 763 H ARG 99 H ARG 99 -8.450 -5.246 14.165 764 HA ARG 99 HA ARG 99 -10.712 -3.574 13.227 765 HB2 ARG 99 2HB ARG 99 -8.607 -1.901 13.104 766 HB3 ARG 99 1HB ARG 99 -9.501 -2.180 14.600 767 HG2 ARG 99 2HG ARG 99 -7.889 -3.836 15.325 768 HG3 ARG 99 1HG ARG 99 -7.053 -3.765 13.774 769 HD2 ARG 99 2HD ARG 99 -5.783 -2.417 15.304 770 HD3 ARG 99 1HD ARG 99 -6.633 -1.304 14.236 771 HE ARG 99 HE ARG 99 -8.071 -1.916 16.714 772 HH11 ARG 99 1HH1 ARG 99 -8.356 -0.150 18.098 773 HH12 ARG 99 2HH1 ARG 99 -7.450 1.301 17.827 774 HH21 ARG 99 1HH2 ARG 99 -5.790 0.058 15.047 775 HH22 ARG 99 2HH2 ARG 99 -5.997 1.419 16.099 776 H ALA 100 H ALA 100 -9.786 -5.797 11.614 777 HA ALA 100 HA ALA 100 -8.129 -4.610 9.494 778 HB1 ALA 100 1HB ALA 100 -8.451 -7.178 10.379 779 HB2 ALA 100 2HB ALA 100 -7.789 -6.750 8.800 780 HB3 ALA 100 3HB ALA 100 -9.495 -7.172 8.956 781 H SER 101 H SER 101 -8.864 -3.984 7.482 782 HA SER 101 HA SER 101 -11.825 -4.030 7.040 783 HB2 SER 101 2HB SER 101 -9.857 -1.850 6.279 784 HB3 SER 101 1HB SER 101 -11.578 -1.849 5.907 785 HG SER 101 HG SER 101 -11.709 -0.900 7.785 786 H GLU 102 H GLU 102 -12.350 -3.810 4.621 787 HA GLU 102 HA GLU 102 -10.356 -5.417 3.081 788 HB2 GLU 102 2HB GLU 102 -13.337 -5.086 2.645 789 HB3 GLU 102 1HB GLU 102 -12.267 -6.105 1.681 790 HG2 GLU 102 2HG GLU 102 -11.686 -7.389 3.732 791 HG3 GLU 102 1HG GLU 102 -12.837 -6.410 4.643 792 H ILE 103 H ILE 103 -9.595 -4.665 1.141 793 HA ILE 103 HA ILE 103 -10.671 -2.049 0.165 794 HB ILE 103 HB ILE 103 -7.768 -2.930 0.177 795 HG12 ILE 103 2HG1 ILE 103 -9.154 -0.790 1.823 796 HG13 ILE 103 1HG1 ILE 103 -8.704 -2.382 2.437 797 HG21 ILE 103 1HG2 ILE 103 -7.427 -1.245 -1.276 798 HG22 ILE 103 2HG2 ILE 103 -8.224 -0.113 -0.185 799 HG23 ILE 103 3HG2 ILE 103 -9.172 -1.008 -1.373 800 HD11 ILE 103 1HD1 ILE 103 -6.845 -1.128 3.060 801 HD12 ILE 103 2HD1 ILE 103 -6.940 -0.092 1.637 802 HD13 ILE 103 3HD1 ILE 103 -6.325 -1.738 1.488 803 H GLU 104 H GLU 104 -11.026 -1.957 -2.034 804 HA GLU 104 HA GLU 104 -10.274 -4.392 -3.609 805 HB2 GLU 104 2HB GLU 104 -12.545 -2.430 -4.057 806 HB3 GLU 104 1HB GLU 104 -12.198 -3.840 -5.058 807 HG2 GLU 104 2HG GLU 104 -12.506 -5.298 -3.065 808 HG3 GLU 104 1HG GLU 104 -12.935 -3.874 -2.116 809 H VAL 105 H VAL 105 -8.902 -4.081 -5.315 810 HA VAL 105 HA VAL 105 -8.594 -1.312 -6.381 811 HB VAL 105 HB VAL 105 -6.309 -3.232 -5.862 812 HG11 VAL 105 1HG1 VAL 105 -5.878 -1.683 -7.690 813 HG12 VAL 105 2HG1 VAL 105 -4.953 -1.169 -6.280 814 HG13 VAL 105 3HG1 VAL 105 -6.439 -0.324 -6.715 815 HG21 VAL 105 1HG2 VAL 105 -7.668 -1.258 -4.142 816 HG22 VAL 105 2HG2 VAL 105 -5.919 -1.059 -4.229 817 HG23 VAL 105 3HG2 VAL 105 -6.606 -2.593 -3.698 818 H ASP 106 H ASP 106 -8.601 -1.242 -8.603 819 HA ASP 106 HA ASP 106 -8.336 -3.854 -10.046 820 HB2 ASP 106 2HB ASP 106 -10.005 -1.431 -10.780 821 HB3 ASP 106 1HB ASP 106 -9.840 -2.888 -11.767 822 H PHE 107 H PHE 107 -6.753 -3.935 -11.602 823 HA PHE 107 HA PHE 107 -5.445 -1.355 -12.326 824 HB2 PHE 107 2HB PHE 107 -4.281 -4.157 -12.263 825 HB3 PHE 107 1HB PHE 107 -3.434 -2.719 -12.800 826 HD1 PHE 107 1HD PHE 107 -2.672 -1.030 -11.232 827 HD2 PHE 107 2HD PHE 107 -4.878 -4.461 -9.892 828 HE1 PHE 107 1HE PHE 107 -2.013 -0.539 -8.892 829 HE2 PHE 107 2HE PHE 107 -4.220 -3.970 -7.551 830 HZ PHE 107 HZ PHE 107 -2.781 -2.012 -7.050 831 H VAL 108 H VAL 108 -5.215 -0.867 -14.464 832 HA VAL 108 HA VAL 108 -6.060 -2.884 -16.480 833 HB VAL 108 HB VAL 108 -6.823 -0.064 -16.980 834 HG11 VAL 108 1HG1 VAL 108 -7.270 -1.973 -18.536 835 HG12 VAL 108 2HG1 VAL 108 -8.737 -1.133 -18.028 836 HG13 VAL 108 3HG1 VAL 108 -8.312 -2.683 -17.301 837 HG21 VAL 108 1HG2 VAL 108 -7.523 -0.169 -14.688 838 HG22 VAL 108 2HG2 VAL 108 -8.127 -1.814 -14.883 839 HG23 VAL 108 3HG2 VAL 108 -8.965 -0.470 -15.657 840 HA PRO 109 HA PRO 109 -2.159 -1.191 -18.044 841 HB2 PRO 109 2HB PRO 109 -1.891 -2.780 -20.233 842 HB3 PRO 109 1HB PRO 109 -1.564 -3.355 -18.586 843 HG2 PRO 109 2HG PRO 109 -3.962 -3.768 -20.291 844 HG3 PRO 109 1HG PRO 109 -3.136 -4.900 -19.210 845 HD2 PRO 109 2HD PRO 109 -5.444 -3.582 -18.526 846 HD3 PRO 109 1HD PRO 109 -4.240 -4.124 -17.335 847 H ASN 110 H ASN 110 -2.147 0.730 -19.073 848 HA ASN 110 HA ASN 110 -3.824 1.040 -21.510 849 HB2 ASN 110 2HB ASN 110 -4.352 2.512 -19.506 850 HB3 ASN 110 1HB ASN 110 -2.779 3.265 -19.767 851 HD21 ASN 110 1HD2 ASN 110 -4.810 5.026 -20.055 852 HD22 ASN 110 2HD2 ASN 110 -5.159 5.335 -21.687 853 H GLY 111 H GLY 111 -2.727 1.334 -23.390 854 HA2 GLY 111 2HA GLY 111 -0.888 1.595 -24.828 855 HA3 GLY 111 1HA GLY 111 -0.446 2.929 -23.763 856 H SER 112 H SER 112 1.613 1.570 -24.850 857 HA SER 112 HA SER 112 2.533 -0.722 -23.439 858 HB2 SER 112 2HB SER 112 4.213 1.496 -24.618 859 HB3 SER 112 1HB SER 112 4.741 -0.148 -24.283 860 HG SER 112 HG SER 112 3.084 0.849 -26.300 861 H GLY 113 H GLY 113 2.609 2.709 -22.667 862 HA2 GLY 113 2HA GLY 113 3.763 1.989 -20.002 863 HA3 GLY 113 1HA GLY 113 4.320 3.419 -20.876 864 H GLY 114 H GLY 114 1.018 2.119 -20.300 865 HA2 GLY 114 2HA GLY 114 0.397 4.655 -18.860 866 HA3 GLY 114 1HA GLY 114 -0.677 4.090 -20.139 867 H THR 115 H THR 115 -0.829 4.308 -17.008 868 HA THR 115 HA THR 115 -2.023 1.590 -16.664 869 HB THR 115 HB THR 115 -1.090 2.668 -14.154 870 HG1 THR 115 1HG THR 115 1.087 2.677 -14.574 871 HG21 THR 115 1HG2 THR 115 -0.526 0.178 -15.772 872 HG22 THR 115 2HG2 THR 115 -1.563 0.345 -14.357 873 HG23 THR 115 3HG2 THR 115 0.186 0.466 -14.188 874 H ARG 116 H ARG 116 -4.007 1.569 -15.742 875 HA ARG 116 HA ARG 116 -5.037 4.133 -14.587 876 HB2 ARG 116 2HB ARG 116 -6.106 3.533 -16.767 877 HB3 ARG 116 1HB ARG 116 -6.639 2.011 -16.043 878 HG2 ARG 116 2HG ARG 116 -8.059 3.099 -14.504 879 HG3 ARG 116 1HG ARG 116 -7.263 4.656 -14.736 880 HD2 ARG 116 2HD ARG 116 -9.351 4.746 -15.916 881 HD3 ARG 116 1HD ARG 116 -8.071 4.612 -17.118 882 HE ARG 116 HE ARG 116 -8.773 1.990 -16.704 883 HH11 ARG 116 1HH1 ARG 116 -10.442 0.940 -17.809 884 HH12 ARG 116 2HH1 ARG 116 -11.755 1.868 -18.452 885 HH21 ARG 116 1HH2 ARG 116 -10.506 4.904 -17.336 886 HH22 ARG 116 2HH2 ARG 116 -11.792 4.112 -18.186 887 H VAL 117 H VAL 117 -5.384 3.859 -12.422 888 HA VAL 117 HA VAL 117 -6.081 1.105 -11.473 889 HB VAL 117 HB VAL 117 -4.417 3.170 -10.023 890 HG11 VAL 117 1HG1 VAL 117 -5.008 0.253 -9.424 891 HG12 VAL 117 2HG1 VAL 117 -5.707 1.629 -8.569 892 HG13 VAL 117 3HG1 VAL 117 -3.974 1.314 -8.466 893 HG21 VAL 117 1HG2 VAL 117 -2.902 2.456 -11.604 894 HG22 VAL 117 2HG2 VAL 117 -3.760 0.942 -11.893 895 HG23 VAL 117 3HG2 VAL 117 -2.735 1.116 -10.469 896 H GLU 118 H GLU 118 -7.709 0.920 -10.025 897 HA GLU 118 HA GLU 118 -8.978 3.450 -9.048 898 HB2 GLU 118 2HB GLU 118 -10.331 0.835 -9.803 899 HB3 GLU 118 1HB GLU 118 -11.147 2.253 -9.143 900 HG2 GLU 118 2HG GLU 118 -10.368 3.582 -11.095 901 HG3 GLU 118 1HG GLU 118 -9.636 2.125 -11.769 902 H LEU 119 H LEU 119 -8.199 3.490 -6.955 903 HA LEU 119 HA LEU 119 -8.306 0.962 -5.392 904 HB2 LEU 119 2HB LEU 119 -6.149 2.274 -5.528 905 HB3 LEU 119 1HB LEU 119 -6.955 3.567 -4.648 906 HG LEU 119 HG LEU 119 -7.173 0.861 -3.442 907 HD11 LEU 119 1HD1 LEU 119 -4.922 0.932 -2.501 908 HD12 LEU 119 2HD1 LEU 119 -4.582 2.433 -3.359 909 HD13 LEU 119 3HD1 LEU 119 -4.811 0.936 -4.261 910 HD21 LEU 119 1HD2 LEU 119 -6.214 3.344 -2.064 911 HD22 LEU 119 2HD2 LEU 119 -7.279 2.073 -1.462 912 HD23 LEU 119 3HD2 LEU 119 -7.894 3.277 -2.593 913 H ALA 120 H ALA 120 -9.864 0.733 -3.865 914 HA ALA 120 HA ALA 120 -11.179 3.204 -2.817 915 HB1 ALA 120 1HB ALA 120 -12.916 0.840 -3.031 916 HB2 ALA 120 2HB ALA 120 -12.391 1.481 -4.588 917 HB3 ALA 120 3HB ALA 120 -13.248 2.521 -3.449 918 H HIS 121 H HIS 121 -10.752 3.235 -0.666 919 HA HIS 121 HA HIS 121 -10.605 0.631 0.791 920 HB2 HIS 121 2HB HIS 121 -9.031 1.560 2.184 921 HB3 HIS 121 1HB HIS 121 -8.765 2.621 0.802 922 HD1 HIS 121 1HD HIS 121 -9.164 2.891 4.277 923 HD2 HIS 121 2HD HIS 121 -10.891 4.925 1.072 924 HE1 HIS 121 1HE HIS 121 -10.043 5.082 5.208 925 HE2 HIS 121 2HE HIS 121 -11.091 6.326 3.261 926 H VAL 122 H VAL 122 -12.138 0.233 2.408 927 HA VAL 122 HA VAL 122 -13.952 2.498 3.097 928 HB VAL 122 HB VAL 122 -15.886 0.947 2.857 929 HG11 VAL 122 1HG1 VAL 122 -14.377 0.984 0.256 930 HG12 VAL 122 2HG1 VAL 122 -14.872 2.499 1.013 931 HG13 VAL 122 3HG1 VAL 122 -16.085 1.305 0.553 932 HG21 VAL 122 1HG2 VAL 122 -13.733 -0.858 1.698 933 HG22 VAL 122 2HG2 VAL 122 -15.464 -1.144 1.524 934 HG23 VAL 122 3HG2 VAL 122 -14.721 -1.181 3.122 935 H LYS 123 H LYS 123 -15.073 2.314 5.045 936 HA LYS 123 HA LYS 123 -15.222 1.853 7.331 937 HB2 LYS 123 2HB LYS 123 -14.716 -1.030 6.651 938 HB3 LYS 123 1HB LYS 123 -15.861 -0.343 7.805 939 HG2 LYS 123 2HG LYS 123 -16.050 -0.252 4.781 940 HG3 LYS 123 1HG LYS 123 -17.114 -1.120 5.881 941 HD2 LYS 123 2HD LYS 123 -17.843 1.035 6.868 942 HD3 LYS 123 1HD LYS 123 -16.809 1.900 5.731 943 HE2 LYS 123 2HE LYS 123 -19.114 1.835 4.899 944 HE3 LYS 123 1HE LYS 123 -18.044 0.912 3.842 945 HZ1 LYS 123 1HZ LYS 123 -19.463 -0.419 6.057 946 HZ2 LYS 123 2HZ LYS 123 -18.864 -1.087 4.613 947 HZ3 LYS 123 3HZ LYS 123 -20.264 -0.124 4.591 948 H LEU 124 H LEU 124 -12.550 2.412 6.256 949 HA LEU 124 HA LEU 124 -10.651 0.661 7.563 950 HB2 LEU 124 2HB LEU 124 -10.395 2.521 5.656 951 HB3 LEU 124 1HB LEU 124 -9.998 3.519 7.056 952 HG LEU 124 HG LEU 124 -8.478 1.458 7.700 953 HD11 LEU 124 1HD1 LEU 124 -8.100 1.227 4.760 954 HD12 LEU 124 2HD1 LEU 124 -9.518 0.420 5.431 955 HD13 LEU 124 3HD1 LEU 124 -7.907 0.006 6.018 956 HD21 LEU 124 1HD2 LEU 124 -6.616 2.558 6.558 957 HD22 LEU 124 2HD2 LEU 124 -7.731 3.777 7.173 958 HD23 LEU 124 3HD2 LEU 124 -7.738 3.362 5.460 959 H HIS 125 H HIS 125 -12.351 3.640 8.370 960 HA HIS 125 HA HIS 125 -11.094 4.477 10.698 961 HB2 HIS 125 2HB HIS 125 -13.035 5.651 9.794 962 HB3 HIS 125 1HB HIS 125 -14.071 4.291 10.226 963 HD1 HIS 125 1HD HIS 125 -11.306 5.749 12.362 964 HD2 HIS 125 2HD HIS 125 -15.464 5.424 12.384 965 HE1 HIS 125 1HE HIS 125 -12.073 6.565 14.629 966 HE2 HIS 125 2HE HIS 125 -14.606 6.385 14.652 967 H ARG 126 H ARG 126 -12.446 1.442 10.133 968 HA ARG 126 HA ARG 126 -13.508 0.657 12.595 969 HB2 ARG 126 2HB ARG 126 -13.360 -0.780 10.554 970 HB3 ARG 126 1HB ARG 126 -11.643 -0.993 10.884 971 HG2 ARG 126 2HG ARG 126 -12.247 -1.893 13.144 972 HG3 ARG 126 1HG ARG 126 -13.944 -1.821 12.668 973 HD2 ARG 126 2HD ARG 126 -11.792 -3.390 11.219 974 HD3 ARG 126 1HD ARG 126 -12.997 -4.080 12.303 975 HE ARG 126 HE ARG 126 -14.155 -2.533 10.112 976 HH11 ARG 126 1HH1 ARG 126 -15.343 -3.735 8.610 977 HH12 ARG 126 2HH1 ARG 126 -15.201 -5.461 8.595 978 HH21 ARG 126 1HH2 ARG 126 -12.932 -5.561 11.216 979 HH22 ARG 126 2HH2 ARG 126 -13.837 -6.495 10.071 980 H HIS 127 H HIS 127 -10.121 1.213 11.718 981 HA HIS 127 HA HIS 127 -9.124 0.031 14.177 982 HB2 HIS 127 2HB HIS 127 -7.037 1.519 13.508 983 HB3 HIS 127 1HB HIS 127 -7.407 0.037 12.640 984 HD1 HIS 127 1HD HIS 127 -9.324 3.259 12.136 985 HD2 HIS 127 2HD HIS 127 -6.488 0.927 10.160 986 HE1 HIS 127 1HE HIS 127 -9.060 4.237 9.815 987 HE2 HIS 127 2HE HIS 127 -7.356 2.822 8.602 988 H GLY 128 H GLY 128 -10.701 2.929 13.513 989 HA2 GLY 128 2HA GLY 128 -11.358 4.505 15.171 990 HA3 GLY 128 1HA GLY 128 -10.135 3.838 16.250 991 H ASP 129 H ASP 129 -9.854 6.298 16.528 992 HA ASP 129 HA ASP 129 -8.551 7.786 14.416 993 HB2 ASP 129 2HB ASP 129 -8.687 8.242 17.411 994 HB3 ASP 129 1HB ASP 129 -8.015 9.397 16.260 995 H GLY 130 H GLY 130 -6.312 8.328 14.272 996 HA2 GLY 130 2HA GLY 130 -4.000 8.157 14.994 997 HA3 GLY 130 1HA GLY 130 -4.451 6.771 15.997 998 H ALA 131 H ALA 131 -6.091 6.140 13.305 999 HA ALA 131 HA ALA 131 -4.360 4.061 12.409 1000 HB1 ALA 131 1HB ALA 131 -6.640 5.415 10.943 1001 HB2 ALA 131 2HB ALA 131 -6.800 4.058 12.055 1002 HB3 ALA 131 3HB ALA 131 -5.929 3.855 10.536 1003 H TRP 132 H TRP 132 -4.947 7.369 11.201 1004 HA TRP 132 HA TRP 132 -3.447 7.168 8.818 1005 HB2 TRP 132 2HB TRP 132 -4.786 9.191 9.544 1006 HB3 TRP 132 1HB TRP 132 -3.446 9.607 10.619 1007 HD1 TRP 132 HD TRP 132 -1.061 10.103 9.438 1008 HE1 TRP 132 1HE TRP 132 -0.512 11.014 7.091 1009 HE3 TRP 132 3HE TRP 132 -5.552 9.315 7.103 1010 HZ2 TRP 132 2HZ TRP 132 -1.796 11.360 4.569 1011 HZ3 TRP 132 3HZ TRP 132 -5.849 9.950 4.728 1012 HH2 TRP 132 HH TRP 132 -3.982 10.973 3.458 1013 H ASN 133 H ASN 133 -2.418 7.401 12.167 1014 HA ASN 133 HA ASN 133 0.309 8.089 11.777 1015 HB2 ASN 133 2HB ASN 133 -0.969 7.658 13.994 1016 HB3 ASN 133 1HB ASN 133 -0.600 5.957 13.721 1017 HD21 ASN 133 1HD2 ASN 133 0.742 6.237 15.787 1018 HD22 ASN 133 2HD2 ASN 133 2.320 6.844 15.632 1019 H ILE 134 H ILE 134 -1.388 4.982 11.576 1020 HA ILE 134 HA ILE 134 0.869 3.359 10.955 1021 HB ILE 134 HB ILE 134 -1.991 3.098 9.999 1022 HG12 ILE 134 2HG1 ILE 134 -0.605 1.861 12.399 1023 HG13 ILE 134 1HG1 ILE 134 -1.714 3.232 12.485 1024 HG21 ILE 134 1HG2 ILE 134 0.417 1.550 9.553 1025 HG22 ILE 134 2HG2 ILE 134 -1.176 1.368 8.820 1026 HG23 ILE 134 3HG2 ILE 134 -0.821 0.589 10.362 1027 HD11 ILE 134 1HD1 ILE 134 -3.175 1.431 11.013 1028 HD12 ILE 134 2HD1 ILE 134 -3.320 1.646 12.758 1029 HD13 ILE 134 3HD1 ILE 134 -2.295 0.366 12.109 1030 H HIS 135 H HIS 135 -1.363 5.259 8.977 1031 HA HIS 135 HA HIS 135 -0.218 4.632 6.430 1032 HB2 HIS 135 2HB HIS 135 -2.406 5.710 6.558 1033 HB3 HIS 135 1HB HIS 135 -1.702 7.109 7.369 1034 HD1 HIS 135 1HD HIS 135 0.633 5.993 4.923 1035 HD2 HIS 135 2HD HIS 135 -2.798 8.349 4.827 1036 HE1 HIS 135 1HE HIS 135 0.744 7.281 2.758 1037 HE2 HIS 135 2HE HIS 135 -1.356 8.727 2.674 1038 H LYS 136 H LYS 136 0.609 6.939 8.960 1039 HA LYS 136 HA LYS 136 2.341 8.639 7.545 1040 HB2 LYS 136 2HB LYS 136 1.731 8.795 10.011 1041 HB3 LYS 136 1HB LYS 136 2.942 7.555 10.296 1042 HG2 LYS 136 2HG LYS 136 4.646 8.977 9.251 1043 HG3 LYS 136 1HG LYS 136 3.441 10.234 9.009 1044 HD2 LYS 136 2HD LYS 136 3.049 10.256 11.484 1045 HD3 LYS 136 1HD LYS 136 4.387 9.121 11.662 1046 HE2 LYS 136 2HE LYS 136 4.730 11.745 10.210 1047 HE3 LYS 136 1HE LYS 136 4.930 11.623 11.958 1048 HZ1 LYS 136 1HZ LYS 136 6.311 9.529 10.641 1049 HZ2 LYS 136 2HZ LYS 136 6.917 10.719 11.691 1050 HZ3 LYS 136 3HZ LYS 136 6.803 11.031 10.024 1051 H ALA 137 H ALA 137 2.816 5.327 8.674 1052 HA ALA 137 HA ALA 137 5.646 5.232 8.070 1053 HB1 ALA 137 1HB ALA 137 5.015 3.404 9.365 1054 HB2 ALA 137 2HB ALA 137 5.044 2.678 7.760 1055 HB3 ALA 137 3HB ALA 137 3.511 3.167 8.477 1056 H LEU 138 H LEU 138 2.700 4.397 6.244 1057 HA LEU 138 HA LEU 138 4.128 3.646 3.848 1058 HB2 LEU 138 2HB LEU 138 1.291 4.671 4.184 1059 HB3 LEU 138 1HB LEU 138 1.936 3.942 2.720 1060 HG LEU 138 HG LEU 138 1.743 2.585 5.423 1061 HD11 LEU 138 1HD1 LEU 138 0.237 1.101 3.742 1062 HD12 LEU 138 2HD1 LEU 138 0.004 2.688 3.011 1063 HD13 LEU 138 3HD1 LEU 138 -0.429 2.423 4.700 1064 HD21 LEU 138 1HD2 LEU 138 3.538 1.492 4.445 1065 HD22 LEU 138 2HD2 LEU 138 3.013 1.880 2.807 1066 HD23 LEU 138 3HD2 LEU 138 2.215 0.590 3.705 1067 H ASP 139 H ASP 139 3.053 6.643 5.270 1068 HA ASP 139 HA ASP 139 3.621 8.856 4.750 1069 HB2 ASP 139 2HB ASP 139 5.744 7.271 3.742 1070 HB3 ASP 139 1HB ASP 139 5.377 8.478 2.510 1071 H GLY 140 H GLY 140 1.663 9.563 3.876 1072 HA2 GLY 140 2HA GLY 140 1.588 9.649 0.897 1073 HA3 GLY 140 1HA GLY 140 0.131 9.211 1.787 1074 HA PRO 141 HA PRO 141 1.294 13.830 3.026 1075 HB2 PRO 141 2HB PRO 141 2.806 14.546 0.572 1076 HB3 PRO 141 1HB PRO 141 3.123 14.985 2.260 1077 HG2 PRO 141 2HG PRO 141 4.610 13.186 0.955 1078 HG3 PRO 141 1HG PRO 141 4.271 13.057 2.688 1079 HD2 PRO 141 2HD PRO 141 3.118 11.485 0.424 1080 HD3 PRO 141 1HD PRO 141 3.438 10.989 2.100 1081 H SER 142 H SER 142 -0.198 15.445 2.463 1082 HA SER 142 HA SER 142 -2.185 14.903 0.529 1083 HB2 SER 142 2HB SER 142 -1.643 16.968 2.413 1084 HB3 SER 142 1HB SER 142 -1.965 17.743 0.865 1085 HG SER 142 HG SER 142 -3.945 16.876 0.830 1086 HA PRO 143 HA PRO 143 0.295 18.119 -2.276 1087 HB2 PRO 143 2HB PRO 143 3.029 17.362 -1.380 1088 HB3 PRO 143 1HB PRO 143 2.380 18.960 -1.800 1089 HG2 PRO 143 2HG PRO 143 2.859 18.274 0.727 1090 HG3 PRO 143 1HG PRO 143 1.476 19.290 0.283 1091 HD2 PRO 143 2HD PRO 143 1.522 16.399 1.053 1092 HD3 PRO 143 1HD PRO 143 0.290 17.637 1.385 1093 H GLY 144 H GLY 144 1.548 14.955 -1.320 1094 HA2 GLY 144 2HA GLY 144 1.550 14.174 -4.185 1095 HA3 GLY 144 1HA GLY 144 2.983 13.834 -3.211 1096 H GLU 145 H GLU 145 0.509 12.246 -4.448 1097 HA GLU 145 HA GLU 145 -0.222 10.750 -1.997 1098 HB2 GLU 145 2HB GLU 145 -1.296 10.562 -4.816 1099 HB3 GLU 145 1HB GLU 145 -1.912 9.663 -3.433 1100 HG2 GLU 145 2HG GLU 145 -2.389 11.838 -2.293 1101 HG3 GLU 145 1HG GLU 145 -1.897 12.676 -3.764 1102 H THR 146 H THR 146 -0.377 8.276 -2.394 1103 HA THR 146 HA THR 146 2.214 7.237 -2.864 1104 HB THR 146 HB THR 146 -0.485 5.893 -2.978 1105 HG1 THR 146 1HG THR 146 -0.260 6.176 -0.923 1106 HG21 THR 146 1HG2 THR 146 0.996 4.512 -4.231 1107 HG22 THR 146 2HG2 THR 146 0.900 3.796 -2.619 1108 HG23 THR 146 3HG2 THR 146 2.307 4.756 -3.076 1109 H LEU 147 H LEU 147 -0.537 7.655 -5.019 1110 HA LEU 147 HA LEU 147 0.524 6.184 -7.223 1111 HB2 LEU 147 2HB LEU 147 -1.391 8.537 -7.212 1112 HB3 LEU 147 1HB LEU 147 -1.113 7.441 -8.562 1113 HG LEU 147 HG LEU 147 -1.636 5.596 -6.707 1114 HD11 LEU 147 1HD1 LEU 147 -2.247 7.956 -5.292 1115 HD12 LEU 147 2HD1 LEU 147 -2.679 6.313 -4.846 1116 HD13 LEU 147 3HD1 LEU 147 -3.802 7.293 -5.784 1117 HD21 LEU 147 1HD2 LEU 147 -3.426 7.213 -8.487 1118 HD22 LEU 147 2HD2 LEU 147 -4.150 5.993 -7.442 1119 HD23 LEU 147 3HD2 LEU 147 -2.937 5.526 -8.635 1120 H ALA 148 H ALA 148 0.899 9.519 -6.131 1121 HA ALA 148 HA ALA 148 2.243 10.443 -8.516 1122 HB1 ALA 148 1HB ALA 148 1.958 12.437 -7.528 1123 HB2 ALA 148 2HB ALA 148 2.965 11.950 -6.164 1124 HB3 ALA 148 3HB ALA 148 1.237 11.597 -6.155 1125 H ARG 149 H ARG 149 3.488 9.573 -5.272 1126 HA ARG 149 HA ARG 149 6.212 10.074 -5.928 1127 HB2 ARG 149 2HB ARG 149 6.707 8.650 -3.925 1128 HB3 ARG 149 1HB ARG 149 5.531 9.922 -3.616 1129 HG2 ARG 149 2HG ARG 149 4.258 8.253 -2.752 1130 HG3 ARG 149 1HG ARG 149 3.908 7.872 -4.433 1131 HD2 ARG 149 2HD ARG 149 4.638 5.801 -3.684 1132 HD3 ARG 149 1HD ARG 149 6.162 6.480 -4.252 1133 HE ARG 149 HE ARG 149 6.222 7.282 -1.680 1134 HH11 ARG 149 1HH1 ARG 149 6.795 6.052 0.122 1135 HH12 ARG 149 2HH1 ARG 149 6.568 4.336 0.092 1136 HH21 ARG 149 1HH2 ARG 149 5.269 4.290 -3.119 1137 HH22 ARG 149 2HH2 ARG 149 5.705 3.340 -1.740 1138 H PHE 150 H PHE 150 4.390 6.991 -5.960 1139 HA PHE 150 HA PHE 150 6.716 5.514 -6.871 1140 HB2 PHE 150 2HB PHE 150 5.470 3.696 -6.414 1141 HB3 PHE 150 1HB PHE 150 4.297 4.829 -5.739 1142 HD1 PHE 150 1HD PHE 150 4.765 2.251 -8.094 1143 HD2 PHE 150 2HD PHE 150 2.730 5.982 -7.529 1144 HE1 PHE 150 1HE PHE 150 3.132 1.621 -9.848 1145 HE2 PHE 150 2HE PHE 150 1.087 5.357 -9.280 1146 HZ PHE 150 HZ PHE 150 1.299 3.171 -10.438 1147 H ALA 151 H ALA 151 3.950 7.040 -8.491 1148 HA ALA 151 HA ALA 151 4.412 5.804 -11.058 1149 HB1 ALA 151 1HB ALA 151 3.018 7.650 -11.947 1150 HB2 ALA 151 2HB ALA 151 3.092 8.444 -10.378 1151 HB3 ALA 151 3HB ALA 151 2.276 6.887 -10.542 1152 H ASN 152 H ASN 152 5.431 8.904 -9.660 1153 HA ASN 152 HA ASN 152 6.740 9.936 -11.961 1154 HB2 ASN 152 2HB ASN 152 7.355 11.642 -10.589 1155 HB3 ASN 152 1HB ASN 152 6.281 10.853 -9.437 1156 HD21 ASN 152 1HD2 ASN 152 7.271 9.451 -7.788 1157 HD22 ASN 152 2HD2 ASN 152 8.922 9.600 -7.409 1158 H VAL 153 H VAL 153 8.056 7.980 -9.294 1159 HA VAL 153 HA VAL 153 10.741 7.945 -10.290 1160 HB VAL 153 HB VAL 153 10.958 5.897 -8.836 1161 HG11 VAL 153 1HG1 VAL 153 10.399 8.609 -8.120 1162 HG12 VAL 153 2HG1 VAL 153 11.384 7.436 -7.246 1163 HG13 VAL 153 3HG1 VAL 153 9.657 7.560 -6.911 1164 HG21 VAL 153 1HG2 VAL 153 8.960 5.398 -7.414 1165 HG22 VAL 153 2HG2 VAL 153 8.725 5.005 -9.109 1166 HG23 VAL 153 3HG2 VAL 153 8.020 6.469 -8.439 1167 H ILE 154 H ILE 154 7.967 5.786 -10.839 1168 HA ILE 154 HA ILE 154 9.409 3.818 -12.298 1169 HB ILE 154 HB ILE 154 6.509 4.647 -12.331 1170 HG12 ILE 154 2HG1 ILE 154 7.915 2.196 -11.263 1171 HG13 ILE 154 1HG1 ILE 154 7.454 3.574 -10.283 1172 HG21 ILE 154 1HG2 ILE 154 6.551 2.137 -13.395 1173 HG22 ILE 154 2HG2 ILE 154 8.012 2.826 -14.097 1174 HG23 ILE 154 3HG2 ILE 154 6.455 3.612 -14.353 1175 HD11 ILE 154 1HD1 ILE 154 5.447 2.059 -11.952 1176 HD12 ILE 154 2HD1 ILE 154 5.135 3.198 -10.642 1177 HD13 ILE 154 3HD1 ILE 154 5.818 1.610 -10.287 1178 HBB 96F 201 HBB SUM 155 -3.035 11.638 -0.336 1179 HBC 96F 201 HBC SUM 155 -1.259 11.531 -0.334 1180 HBA 96F 201 HBA SUM 155 -2.136 11.819 1.188 1181 HA2 96F 201 2HA SUM 155 -2.491 9.602 1.509 1182 HA1 96F 201 1HA SUM 155 -1.301 9.332 0.215 1183 HAY 96F 201 HAY SUM 155 -5.200 8.434 0.382 1184 HAZ 96F 201 HAZ SUM 155 -5.342 10.038 -0.379 1185 HA0 96F 201 0HA SUM 155 -4.574 9.877 1.217 1186 HBE 96F 201 HBE SUM 155 -4.291 10.046 -1.982 1187 H1 96F 201 HAV SUM 155 -3.673 7.537 -2.796 1188 HAS 96F 201 HAS SUM 155 -6.676 5.092 -3.143 1189 HAT 96F 201 HAT SUM 155 -6.498 6.099 -4.601 1190 HAU 96F 201 HAU SUM 155 -5.776 6.626 -3.065 1191 HAK 96F 201 HAK SUM 155 -5.398 4.791 -6.063 1192 HAF 96F 201 HAF SUM 155 -2.494 2.870 -9.388 1193 HAE 96F 201 HAE SUM 155 -0.365 1.764 -9.999 1194 HAD 96F 201 HAD SUM 155 1.360 1.348 -8.260 1195 HAR 96F 201 HAR SUM 155 1.533 1.096 -5.836 1196 HAQ 96F 201 HAQ SUM 155 -2.424 3.839 -1.488 Start of MODEL 3 1 H MET 1 1HT MET 1 -4.524 13.433 5.296 2 HA MET 1 HA MET 1 -2.180 13.400 7.056 3 HB2 MET 1 2HB MET 1 -3.914 15.776 6.716 4 HB3 MET 1 1HB MET 1 -2.159 15.640 6.636 5 HG2 MET 1 2HG MET 1 -2.580 14.358 4.415 6 HG3 MET 1 1HG MET 1 -4.185 15.083 4.478 7 HE1 MET 1 1HE MET 1 -1.425 15.219 2.629 8 HE2 MET 1 2HE MET 1 -0.361 15.639 3.968 9 HE3 MET 1 3HE MET 1 -0.610 16.787 2.656 10 HA PRO 2 HA PRO 2 -6.051 14.601 9.823 11 HB2 PRO 2 2HB PRO 2 -8.064 12.747 8.722 12 HB3 PRO 2 1HB PRO 2 -8.231 14.454 9.173 13 HG2 PRO 2 2HG PRO 2 -8.214 13.610 6.616 14 HG3 PRO 2 1HG PRO 2 -7.606 15.198 7.115 15 HD2 PRO 2 2HD PRO 2 -6.079 12.752 6.334 16 HD3 PRO 2 1HD PRO 2 -5.667 14.467 6.102 17 H GLU 3 H GLU 3 -6.418 13.460 11.757 18 HA GLU 3 HA GLU 3 -5.025 10.994 12.150 19 HB2 GLU 3 2HB GLU 3 -7.161 12.344 13.831 20 HB3 GLU 3 1HB GLU 3 -6.161 10.999 14.372 21 HG2 GLU 3 2HG GLU 3 -4.128 12.365 13.962 22 HG3 GLU 3 1HG GLU 3 -5.157 13.720 13.494 23 H GLU 4 H GLU 4 -8.311 11.760 11.247 24 HA GLU 4 HA GLU 4 -9.208 8.973 11.658 25 HB2 GLU 4 2HB GLU 4 -10.690 10.924 12.198 26 HB3 GLU 4 1HB GLU 4 -10.709 11.313 10.479 27 HG2 GLU 4 2HG GLU 4 -11.617 9.044 10.000 28 HG3 GLU 4 1HG GLU 4 -11.682 8.733 11.737 29 H ILE 5 H ILE 5 -9.630 7.553 9.963 30 HA ILE 5 HA ILE 5 -8.860 8.503 7.234 31 HB ILE 5 HB ILE 5 -8.699 5.610 7.728 32 HG12 ILE 5 2HG1 ILE 5 -7.965 6.527 9.945 33 HG13 ILE 5 1HG1 ILE 5 -6.705 5.661 9.083 34 HG21 ILE 5 1HG2 ILE 5 -6.485 5.982 6.639 35 HG22 ILE 5 2HG2 ILE 5 -6.836 7.708 6.612 36 HG23 ILE 5 3HG2 ILE 5 -7.846 6.589 5.696 37 HD11 ILE 5 1HD1 ILE 5 -6.863 8.513 8.432 38 HD12 ILE 5 2HD1 ILE 5 -5.456 7.515 8.801 39 HD13 ILE 5 3HD1 ILE 5 -6.435 8.179 10.110 40 HA PRO 6 HA PRO 6 -13.188 7.007 6.902 41 HB2 PRO 6 2HB PRO 6 -14.069 8.972 5.226 42 HB3 PRO 6 1HB PRO 6 -14.000 9.163 6.989 43 HG2 PRO 6 2HG PRO 6 -12.236 10.272 4.900 44 HG3 PRO 6 1HG PRO 6 -12.653 10.920 6.492 45 HD2 PRO 6 2HD PRO 6 -10.258 9.592 5.818 46 HD3 PRO 6 1HD PRO 6 -10.828 9.952 7.461 47 H ASP 7 H ASP 7 -14.432 6.346 4.893 48 HA ASP 7 HA ASP 7 -12.666 5.053 3.025 49 HB2 ASP 7 2HB ASP 7 -14.798 4.418 1.869 50 HB3 ASP 7 1HB ASP 7 -14.787 4.021 3.587 51 H VAL 8 H VAL 8 -11.815 5.852 1.208 52 HA VAL 8 HA VAL 8 -13.233 8.028 -0.240 53 HB VAL 8 HB VAL 8 -11.488 9.060 1.234 54 HG11 VAL 8 1HG1 VAL 8 -9.273 8.102 -0.440 55 HG12 VAL 8 2HG1 VAL 8 -10.006 6.840 0.548 56 HG13 VAL 8 3HG1 VAL 8 -9.359 8.290 1.312 57 HG21 VAL 8 1HG2 VAL 8 -10.362 9.382 -1.493 58 HG22 VAL 8 2HG2 VAL 8 -10.964 10.604 -0.375 59 HG23 VAL 8 3HG2 VAL 8 -12.096 9.661 -1.343 60 H ARG 9 H ARG 9 -12.999 7.857 -2.499 61 HA ARG 9 HA ARG 9 -11.247 5.617 -3.452 62 HB2 ARG 9 2HB ARG 9 -13.675 5.073 -3.578 63 HB3 ARG 9 1HB ARG 9 -13.909 6.482 -4.617 64 HG2 ARG 9 2HG ARG 9 -12.309 5.539 -6.250 65 HG3 ARG 9 1HG ARG 9 -12.103 4.121 -5.222 66 HD2 ARG 9 2HD ARG 9 -14.555 3.678 -5.417 67 HD3 ARG 9 1HD ARG 9 -14.675 5.024 -6.549 68 HE ARG 9 HE ARG 9 -12.752 3.513 -7.734 69 HH11 ARG 9 1HH1 ARG 9 -13.125 1.734 -9.078 70 HH12 ARG 9 2HH1 ARG 9 -14.576 0.809 -8.886 71 HH21 ARG 9 1HH2 ARG 9 -15.784 2.749 -6.278 72 HH22 ARG 9 2HH2 ARG 9 -16.080 1.383 -7.301 73 H LYS 10 H LYS 10 -9.701 6.278 -4.845 74 HA LYS 10 HA LYS 10 -10.263 8.630 -6.587 75 HB2 LYS 10 2HB LYS 10 -7.746 8.206 -4.945 76 HB3 LYS 10 1HB LYS 10 -7.964 9.472 -6.159 77 HG2 LYS 10 2HG LYS 10 -9.928 10.315 -4.866 78 HG3 LYS 10 1HG LYS 10 -9.583 9.114 -3.621 79 HD2 LYS 10 2HD LYS 10 -7.301 10.097 -3.363 80 HD3 LYS 10 1HD LYS 10 -7.747 11.354 -4.517 81 HE2 LYS 10 2HE LYS 10 -9.848 11.490 -2.785 82 HE3 LYS 10 1HE LYS 10 -8.547 11.024 -1.689 83 HZ1 LYS 10 1HZ LYS 10 -7.231 12.864 -2.801 84 HZ2 LYS 10 2HZ LYS 10 -8.484 13.341 -1.758 85 HZ3 LYS 10 3HZ LYS 10 -8.707 13.400 -3.441 86 H SER 11 H SER 11 -9.202 8.539 -8.613 87 HA SER 11 HA SER 11 -7.529 6.126 -9.133 88 HB2 SER 11 2HB SER 11 -8.755 5.685 -11.204 89 HB3 SER 11 1HB SER 11 -9.870 5.649 -9.837 90 HG SER 11 HG SER 11 -9.706 8.150 -10.674 91 H VAL 12 H VAL 12 -5.985 6.423 -10.797 92 HA VAL 12 HA VAL 12 -5.934 8.991 -12.244 93 HB VAL 12 HB VAL 12 -3.994 8.245 -10.087 94 HG11 VAL 12 1HG1 VAL 12 -2.494 8.444 -11.925 95 HG12 VAL 12 2HG1 VAL 12 -2.478 10.027 -11.145 96 HG13 VAL 12 3HG1 VAL 12 -3.411 9.780 -12.622 97 HG21 VAL 12 1HG2 VAL 12 -5.707 9.889 -9.563 98 HG22 VAL 12 2HG2 VAL 12 -5.313 10.811 -11.014 99 HG23 VAL 12 3HG2 VAL 12 -4.154 10.715 -9.689 100 H VAL 13 H VAL 13 -4.375 8.948 -14.026 101 HA VAL 13 HA VAL 13 -3.716 6.161 -14.828 102 HB VAL 13 HB VAL 13 -3.843 8.672 -16.523 103 HG11 VAL 13 1HG1 VAL 13 -2.658 6.167 -17.004 104 HG12 VAL 13 2HG1 VAL 13 -3.025 7.410 -18.200 105 HG13 VAL 13 3HG1 VAL 13 -4.193 6.129 -17.873 106 HG21 VAL 13 1HG2 VAL 13 -5.900 6.835 -15.528 107 HG22 VAL 13 2HG2 VAL 13 -5.885 6.951 -17.288 108 HG23 VAL 13 3HG2 VAL 13 -6.084 8.405 -16.310 109 H VAL 14 H VAL 14 -1.595 5.563 -15.080 110 HA VAL 14 HA VAL 14 0.461 7.726 -15.036 111 HB VAL 14 HB VAL 14 1.828 6.426 -13.511 112 HG11 VAL 14 1HG1 VAL 14 0.730 7.271 -11.729 113 HG12 VAL 14 2HG1 VAL 14 -0.649 6.201 -11.985 114 HG13 VAL 14 3HG1 VAL 14 -0.538 7.723 -12.866 115 HG21 VAL 14 1HG2 VAL 14 0.044 4.462 -12.546 116 HG22 VAL 14 2HG2 VAL 14 1.553 4.197 -13.422 117 HG23 VAL 14 3HG2 VAL 14 0.028 4.316 -14.302 118 H ALA 15 H ALA 15 2.618 6.934 -15.834 119 HA ALA 15 HA ALA 15 2.215 5.345 -18.256 120 HB1 ALA 15 1HB ALA 15 4.287 6.154 -18.942 121 HB2 ALA 15 2HB ALA 15 4.919 6.208 -17.294 122 HB3 ALA 15 3HB ALA 15 3.775 7.435 -17.844 123 H ALA 16 H ALA 16 1.867 3.173 -17.581 124 HA ALA 16 HA ALA 16 4.219 1.617 -17.088 125 HB1 ALA 16 1HB ALA 16 3.341 2.843 -14.779 126 HB2 ALA 16 2HB ALA 16 4.310 1.372 -14.838 127 HB3 ALA 16 3HB ALA 16 2.556 1.267 -14.693 128 H SER 17 H SER 17 3.656 -0.707 -16.743 129 HA SER 17 HA SER 17 1.011 -1.318 -17.951 130 HB2 SER 17 2HB SER 17 3.073 -2.234 -19.054 131 HB3 SER 17 1HB SER 17 3.421 -3.127 -17.577 132 HG SER 17 HG SER 17 1.991 -3.977 -19.518 133 H VAL 18 H VAL 18 -0.401 -2.803 -16.850 134 HA VAL 18 HA VAL 18 -0.434 -2.667 -14.035 135 HB VAL 18 HB VAL 18 -2.130 -4.424 -14.133 136 HG11 VAL 18 1HG1 VAL 18 -2.444 -2.010 -15.072 137 HG12 VAL 18 2HG1 VAL 18 -3.678 -3.220 -15.431 138 HG13 VAL 18 3HG1 VAL 18 -2.466 -2.809 -16.641 139 HG21 VAL 18 1HG2 VAL 18 -2.559 -5.279 -16.588 140 HG22 VAL 18 2HG2 VAL 18 -1.340 -6.072 -15.590 141 HG23 VAL 18 3HG2 VAL 18 -0.853 -4.895 -16.810 142 H GLU 19 H GLU 19 0.916 -5.183 -16.146 143 HA GLU 19 HA GLU 19 1.613 -7.020 -14.082 144 HB2 GLU 19 2HB GLU 19 2.921 -6.438 -16.745 145 HB3 GLU 19 1HB GLU 19 3.338 -7.806 -15.724 146 HG2 GLU 19 2HG GLU 19 0.981 -8.582 -15.833 147 HG3 GLU 19 1HG GLU 19 0.610 -7.238 -16.915 148 H HIS 20 H HIS 20 3.249 -4.227 -15.475 149 HA HIS 20 HA HIS 20 5.688 -4.492 -13.981 150 HB2 HIS 20 2HB HIS 20 5.667 -3.040 -15.911 151 HB3 HIS 20 1HB HIS 20 4.357 -2.073 -15.224 152 HD1 HIS 20 1HD HIS 20 8.012 -2.426 -15.242 153 HD2 HIS 20 2HD HIS 20 5.168 -0.649 -12.747 154 HE1 HIS 20 1HE HIS 20 9.278 -0.895 -13.678 155 HE2 HIS 20 2HE HIS 20 7.565 0.211 -12.184 156 H CYS 21 H CYS 21 2.643 -2.786 -13.381 157 HA CYS 21 HA CYS 21 3.328 -1.278 -11.137 158 HB2 CYS 21 2HB CYS 21 0.788 -2.857 -11.639 159 HB3 CYS 21 1HB CYS 21 0.963 -1.602 -10.415 160 HG CYS 21 HG CYS 21 0.243 -0.121 -12.290 161 H PHE 22 H PHE 22 2.466 -4.720 -11.302 162 HA PHE 22 HA PHE 22 2.881 -4.981 -8.422 163 HB2 PHE 22 2HB PHE 22 1.732 -6.640 -10.511 164 HB3 PHE 22 1HB PHE 22 2.793 -7.564 -9.434 165 HD1 PHE 22 1HD PHE 22 2.182 -8.010 -7.181 166 HD2 PHE 22 2HD PHE 22 -0.035 -5.149 -9.494 167 HE1 PHE 22 1HE PHE 22 0.530 -7.809 -5.343 168 HE2 PHE 22 2HE PHE 22 -1.680 -4.946 -7.673 169 HZ PHE 22 HZ PHE 22 -1.405 -6.269 -5.599 170 H GLU 23 H GLU 23 4.769 -5.381 -11.314 171 HA GLU 23 HA GLU 23 6.804 -7.073 -10.250 172 HB2 GLU 23 2HB GLU 23 6.687 -6.446 -12.646 173 HB3 GLU 23 1HB GLU 23 7.090 -4.787 -12.212 174 HG2 GLU 23 2HG GLU 23 9.223 -5.572 -11.225 175 HG3 GLU 23 1HG GLU 23 8.834 -7.218 -11.735 176 H VAL 24 H VAL 24 6.303 -3.570 -10.149 177 HA VAL 24 HA VAL 24 8.717 -2.938 -8.749 178 HB VAL 24 HB VAL 24 6.036 -1.518 -8.846 179 HG11 VAL 24 1HG1 VAL 24 8.067 0.328 -8.375 180 HG12 VAL 24 2HG1 VAL 24 8.464 -1.026 -7.319 181 HG13 VAL 24 3HG1 VAL 24 6.888 -0.247 -7.198 182 HG21 VAL 24 1HG2 VAL 24 7.034 -0.173 -10.573 183 HG22 VAL 24 2HG2 VAL 24 7.313 -1.858 -11.013 184 HG23 VAL 24 3HG2 VAL 24 8.619 -0.903 -10.310 185 H PHE 25 H PHE 25 5.420 -3.700 -7.669 186 HA PHE 25 HA PHE 25 5.776 -3.157 -4.912 187 HB2 PHE 25 2HB PHE 25 3.967 -5.004 -6.442 188 HB3 PHE 25 1HB PHE 25 3.926 -4.953 -4.686 189 HD1 PHE 25 1HD PHE 25 4.808 -1.852 -6.481 190 HD2 PHE 25 2HD PHE 25 1.575 -4.148 -4.801 191 HE1 PHE 25 1HE PHE 25 3.375 0.132 -6.527 192 HE2 PHE 25 2HE PHE 25 0.145 -2.136 -4.854 193 HZ PHE 25 HZ PHE 25 1.048 0.003 -5.714 194 H THR 26 H THR 26 6.381 -6.144 -6.734 195 HA THR 26 HA THR 26 7.449 -7.347 -4.250 196 HB THR 26 HB THR 26 7.526 -9.438 -5.598 197 HG1 THR 26 1HG THR 26 7.301 -7.720 -7.574 198 HG21 THR 26 1HG2 THR 26 4.813 -9.018 -6.132 199 HG22 THR 26 2HG2 THR 26 5.183 -7.909 -4.812 200 HG23 THR 26 3HG2 THR 26 5.499 -9.636 -4.627 201 H SER 27 H SER 27 8.658 -5.490 -6.742 202 HA SER 27 HA SER 27 11.241 -6.958 -6.834 203 HB2 SER 27 2HB SER 27 10.384 -6.253 -8.992 204 HB3 SER 27 1HB SER 27 10.263 -4.590 -8.427 205 HG SER 27 HG SER 27 12.639 -4.969 -7.937 206 H ARG 28 H ARG 28 9.988 -3.712 -5.908 207 HA ARG 28 HA ARG 28 12.027 -3.405 -3.900 208 HB2 ARG 28 2HB ARG 28 13.233 -1.489 -5.125 209 HB3 ARG 28 1HB ARG 28 13.637 -3.129 -5.607 210 HG2 ARG 28 2HG ARG 28 13.328 -2.022 -7.664 211 HG3 ARG 28 1HG ARG 28 11.791 -2.833 -7.423 212 HD2 ARG 28 2HD ARG 28 10.691 -0.820 -6.835 213 HD3 ARG 28 1HD ARG 28 12.212 0.014 -6.493 214 HE ARG 28 HE ARG 28 12.382 -0.635 -9.185 215 HH11 ARG 28 1HH1 ARG 28 11.665 0.768 -10.805 216 HH12 ARG 28 2HH1 ARG 28 10.453 1.948 -10.437 217 HH21 ARG 28 1HH2 ARG 28 10.158 0.997 -7.115 218 HH22 ARG 28 2HH2 ARG 28 9.599 2.078 -8.348 219 HA PRO 29 HA PRO 29 8.421 -0.345 -4.233 220 HB2 PRO 29 2HB PRO 29 7.196 -1.053 -1.871 221 HB3 PRO 29 1HB PRO 29 6.764 -1.715 -3.459 222 HG2 PRO 29 2HG PRO 29 8.502 -2.870 -1.337 223 HG3 PRO 29 1HG PRO 29 7.298 -3.654 -2.359 224 HD2 PRO 29 2HD PRO 29 9.944 -3.871 -2.887 225 HD3 PRO 29 1HD PRO 29 8.739 -3.807 -4.192 226 H ALA 30 H ALA 30 10.516 -1.329 -1.585 227 HA ALA 30 HA ALA 30 10.107 1.127 -0.069 228 HB1 ALA 30 1HB ALA 30 12.447 -0.673 0.377 229 HB2 ALA 30 2HB ALA 30 10.828 -1.283 0.716 230 HB3 ALA 30 3HB ALA 30 11.424 0.146 1.553 231 H ASP 31 H ASP 31 12.518 -0.039 -2.365 232 HA ASP 31 HA ASP 31 14.565 1.839 -1.823 233 HB2 ASP 31 2HB ASP 31 13.764 0.595 -4.461 234 HB3 ASP 31 1HB ASP 31 15.276 1.451 -4.177 235 H TRP 32 H TRP 32 11.582 2.284 -3.716 236 HA TRP 32 HA TRP 32 12.560 4.965 -4.543 237 HB2 TRP 32 2HB TRP 32 11.283 4.669 -6.364 238 HB3 TRP 32 1HB TRP 32 10.873 3.055 -5.775 239 HD1 TRP 32 HD TRP 32 9.582 6.638 -5.875 240 HE1 TRP 32 1HE TRP 32 7.101 6.659 -5.196 241 HE3 TRP 32 3HE TRP 32 9.030 1.791 -4.448 242 HZ2 TRP 32 2HZ TRP 32 5.159 4.844 -4.181 243 HZ3 TRP 32 3HZ TRP 32 6.823 0.964 -3.617 244 HH2 TRP 32 HH TRP 32 4.891 2.489 -3.496 245 H TRP 33 H TRP 33 10.693 3.643 -2.002 246 HA TRP 33 HA TRP 33 8.625 5.511 -1.699 247 HB2 TRP 33 2HB TRP 33 9.590 3.457 -0.161 248 HB3 TRP 33 1HB TRP 33 9.969 4.865 0.834 249 HD1 TRP 33 HD TRP 33 7.683 6.760 0.467 250 HE1 TRP 33 1HE TRP 33 5.257 6.185 1.125 251 HE3 TRP 33 3HE TRP 33 7.941 1.660 0.420 252 HZ2 TRP 33 2HZ TRP 33 3.640 3.869 1.567 253 HZ3 TRP 33 3HZ TRP 33 5.944 0.296 0.958 254 HH2 TRP 33 HH TRP 33 3.795 1.393 1.531 255 HA PRO 34 HA PRO 34 11.621 8.638 0.197 256 HB2 PRO 34 2HB PRO 34 14.151 7.946 0.755 257 HB3 PRO 34 1HB PRO 34 12.798 7.334 1.729 258 HG2 PRO 34 2HG PRO 34 14.490 5.921 -0.220 259 HG3 PRO 34 1HG PRO 34 13.544 5.279 1.131 260 HD2 PRO 34 2HD PRO 34 12.801 5.397 -1.681 261 HD3 PRO 34 1HD PRO 34 11.908 4.659 -0.334 262 HA PRO 35 HA PRO 35 13.605 9.053 -4.100 263 HB2 PRO 35 2HB PRO 35 12.093 11.211 -4.888 264 HB3 PRO 35 1HB PRO 35 11.642 9.524 -5.203 265 HG2 PRO 35 2HG PRO 35 10.678 11.376 -3.080 266 HG3 PRO 35 1HG PRO 35 9.775 10.191 -4.041 267 HD2 PRO 35 2HD PRO 35 10.523 9.693 -1.478 268 HD3 PRO 35 1HD PRO 35 10.414 8.413 -2.704 269 H SER 36 H SER 36 12.501 11.644 -1.916 270 HA SER 36 HA SER 36 14.877 12.690 -1.058 271 HB2 SER 36 2HB SER 36 15.031 14.656 -2.876 272 HB3 SER 36 1HB SER 36 15.930 13.152 -3.057 273 HG SER 36 HG SER 36 14.872 13.197 -4.912 274 H HIS 37 H HIS 37 12.293 14.218 -3.012 275 HA HIS 37 HA HIS 37 11.874 16.447 -1.331 276 HB2 HIS 37 2HB HIS 37 9.851 14.946 -3.022 277 HB3 HIS 37 1HB HIS 37 9.618 16.565 -2.363 278 HD1 HIS 37 1HD HIS 37 11.481 14.680 -5.009 279 HD2 HIS 37 2HD HIS 37 11.190 18.604 -3.623 280 HE1 HIS 37 1HE HIS 37 12.625 16.139 -6.738 281 HE2 HIS 37 2HE HIS 37 12.452 18.528 -5.904 282 H VAL 38 H VAL 38 10.543 13.166 -1.133 283 HA VAL 38 HA VAL 38 9.173 13.942 1.407 284 HB VAL 38 HB VAL 38 8.768 11.475 -0.309 285 HG11 VAL 38 1HG1 VAL 38 8.070 12.045 2.373 286 HG12 VAL 38 2HG1 VAL 38 7.501 10.701 1.382 287 HG13 VAL 38 3HG1 VAL 38 6.587 12.208 1.432 288 HG21 VAL 38 1HG2 VAL 38 7.283 14.107 -0.119 289 HG22 VAL 38 2HG2 VAL 38 6.555 12.653 -0.801 290 HG23 VAL 38 3HG2 VAL 38 7.981 13.364 -1.557 291 H LEU 39 H LEU 39 9.919 13.107 3.298 292 HA LEU 39 HA LEU 39 12.096 11.065 3.138 293 HB2 LEU 39 2HB LEU 39 11.489 13.007 5.388 294 HB3 LEU 39 1HB LEU 39 12.897 11.951 5.259 295 HG LEU 39 HG LEU 39 12.186 14.234 3.392 296 HD11 LEU 39 1HD1 LEU 39 14.185 15.286 4.276 297 HD12 LEU 39 2HD1 LEU 39 14.568 13.853 5.231 298 HD13 LEU 39 3HD1 LEU 39 13.156 14.831 5.634 299 HD21 LEU 39 1HD2 LEU 39 14.193 12.005 3.254 300 HD22 LEU 39 2HD2 LEU 39 14.629 13.586 2.605 301 HD23 LEU 39 3HD2 LEU 39 13.233 12.723 1.959 302 H VAL 40 H VAL 40 12.076 9.351 4.721 303 HA VAL 40 HA VAL 40 9.329 8.739 5.718 304 HB VAL 40 HB VAL 40 10.350 7.054 4.201 305 HG11 VAL 40 1HG1 VAL 40 12.482 6.903 6.356 306 HG12 VAL 40 2HG1 VAL 40 12.707 7.487 4.708 307 HG13 VAL 40 3HG1 VAL 40 12.334 5.788 4.998 308 HG21 VAL 40 1HG2 VAL 40 8.815 6.251 5.915 309 HG22 VAL 40 2HG2 VAL 40 10.117 6.200 7.098 310 HG23 VAL 40 3HG2 VAL 40 10.132 5.092 5.730 311 H LYS 41 H LYS 41 9.026 8.315 7.946 312 HA LYS 41 HA LYS 41 10.809 9.562 9.786 313 HB2 LYS 41 2HB LYS 41 8.382 9.085 10.214 314 HB3 LYS 41 1HB LYS 41 8.804 7.386 10.409 315 HG2 LYS 41 2HG LYS 41 10.362 7.995 12.241 316 HG3 LYS 41 1HG LYS 41 9.877 9.682 12.070 317 HD2 LYS 41 2HD LYS 41 7.509 8.986 12.521 318 HD3 LYS 41 1HD LYS 41 8.098 7.357 12.853 319 HE2 LYS 41 2HE LYS 41 8.767 9.896 14.359 320 HE3 LYS 41 1HE LYS 41 7.923 8.475 14.974 321 HZ1 LYS 41 1HZ LYS 41 10.724 8.958 14.752 322 HZ2 LYS 41 2HZ LYS 41 10.282 7.509 13.981 323 HZ3 LYS 41 3HZ LYS 41 9.905 7.754 15.620 324 H LYS 42 H LYS 42 10.457 6.205 8.766 325 HA LYS 42 HA LYS 42 13.017 5.582 10.184 326 HB2 LYS 42 2HB LYS 42 12.214 3.295 10.458 327 HB3 LYS 42 1HB LYS 42 11.018 4.401 11.135 328 HG2 LYS 42 2HG LYS 42 9.788 4.308 8.949 329 HG3 LYS 42 1HG LYS 42 10.919 3.063 8.418 330 HD2 LYS 42 2HD LYS 42 10.273 1.745 10.488 331 HD3 LYS 42 1HD LYS 42 8.976 2.917 10.733 332 HE2 LYS 42 2HE LYS 42 8.735 2.248 8.048 333 HE3 LYS 42 1HE LYS 42 9.149 0.716 8.820 334 HZ1 LYS 42 1HZ LYS 42 7.327 0.875 10.263 335 HZ2 LYS 42 2HZ LYS 42 6.717 1.301 8.736 336 HZ3 LYS 42 3HZ LYS 42 7.050 2.505 9.887 337 H GLU 43 H GLU 43 14.567 4.476 8.922 338 HA GLU 43 HA GLU 43 14.149 4.676 6.029 339 HB2 GLU 43 2HB GLU 43 16.517 3.704 7.634 340 HB3 GLU 43 1HB GLU 43 16.516 3.959 5.892 341 HG2 GLU 43 2HG GLU 43 15.915 6.345 6.269 342 HG3 GLU 43 1HG GLU 43 16.018 6.072 8.010 343 H ARG 44 H ARG 44 13.386 3.045 4.799 344 HA ARG 44 HA ARG 44 12.969 0.388 5.918 345 HB2 ARG 44 2HB ARG 44 12.713 1.309 3.032 346 HB3 ARG 44 1HB ARG 44 12.000 -0.145 3.740 347 HG2 ARG 44 2HG ARG 44 10.766 1.353 5.351 348 HG3 ARG 44 1HG ARG 44 11.335 2.731 4.416 349 HD2 ARG 44 2HD ARG 44 10.244 1.860 2.409 350 HD3 ARG 44 1HD ARG 44 9.723 0.426 3.294 351 HE ARG 44 HE ARG 44 8.834 3.059 4.326 352 HH11 ARG 44 1HH1 ARG 44 6.597 3.246 4.520 353 HH12 ARG 44 2HH1 ARG 44 5.573 2.025 3.840 354 HH21 ARG 44 1HH2 ARG 44 8.193 0.119 2.618 355 HH22 ARG 44 2HH2 ARG 44 6.476 0.260 2.770 356 H ALA 45 H ALA 45 14.215 -1.480 5.448 357 HA ALA 45 HA ALA 45 16.792 -0.935 4.015 358 HB1 ALA 45 1HB ALA 45 16.180 -2.494 6.514 359 HB2 ALA 45 2HB ALA 45 17.343 -1.185 6.291 360 HB3 ALA 45 3HB ALA 45 17.660 -2.775 5.597 361 H GLY 46 H GLY 46 14.562 -3.595 4.913 362 HA2 GLY 46 2HA GLY 46 15.336 -4.906 2.332 363 HA3 GLY 46 1HA GLY 46 15.276 -5.838 3.824 364 H LEU 47 H LEU 47 13.680 -6.630 1.719 365 HA LEU 47 HA LEU 47 11.020 -6.192 2.892 366 HB2 LEU 47 2HB LEU 47 10.616 -6.006 0.081 367 HB3 LEU 47 1HB LEU 47 10.266 -4.790 1.308 368 HG LEU 47 HG LEU 47 12.562 -3.923 1.129 369 HD11 LEU 47 1HD1 LEU 47 13.491 -5.108 -1.254 370 HD12 LEU 47 2HD1 LEU 47 12.973 -6.448 -0.234 371 HD13 LEU 47 3HD1 LEU 47 14.177 -5.303 0.358 372 HD21 LEU 47 1HD2 LEU 47 11.894 -4.061 -1.728 373 HD22 LEU 47 2HD2 LEU 47 12.023 -2.656 -0.671 374 HD23 LEU 47 3HD2 LEU 47 10.541 -3.609 -0.694 375 H ALA 48 H ALA 48 9.851 -8.053 2.835 376 HA ALA 48 HA ALA 48 10.841 -10.253 1.067 377 HB1 ALA 48 1HB ALA 48 10.377 -11.729 2.748 378 HB2 ALA 48 2HB ALA 48 8.883 -10.903 3.186 379 HB3 ALA 48 3HB ALA 48 10.431 -10.302 3.782 380 H PHE 49 H PHE 49 9.423 -11.004 -0.515 381 HA PHE 49 HA PHE 49 6.591 -10.052 -0.365 382 HB2 PHE 49 2HB PHE 49 8.656 -9.504 -2.396 383 HB3 PHE 49 1HB PHE 49 7.094 -10.014 -3.036 384 HD1 PHE 49 1HD PHE 49 8.911 -7.421 -1.213 385 HD2 PHE 49 2HD PHE 49 5.058 -8.717 -2.578 386 HE1 PHE 49 1HE PHE 49 8.012 -5.152 -0.813 387 HE2 PHE 49 2HE PHE 49 4.147 -6.445 -2.176 388 HZ PHE 49 HZ PHE 49 5.615 -4.668 -1.291 389 H GLU 50 H GLU 50 5.133 -11.653 -0.746 390 HA GLU 50 HA GLU 50 6.056 -13.980 -2.381 391 HB2 GLU 50 2HB GLU 50 4.797 -13.975 0.327 392 HB3 GLU 50 1HB GLU 50 4.483 -15.325 -0.759 393 HG2 GLU 50 2HG GLU 50 7.218 -14.310 0.020 394 HG3 GLU 50 1HG GLU 50 6.418 -15.687 0.772 395 HA PRO 51 HA PRO 51 2.064 -12.986 -4.271 396 HB2 PRO 51 2HB PRO 51 2.082 -14.699 -6.310 397 HB3 PRO 51 1HB PRO 51 3.274 -13.385 -6.225 398 HG2 PRO 51 2HG PRO 51 3.601 -16.277 -5.565 399 HG3 PRO 51 1HG PRO 51 4.704 -15.187 -6.424 400 HD2 PRO 51 2HD PRO 51 4.922 -15.845 -3.721 401 HD3 PRO 51 1HD PRO 51 5.639 -14.409 -4.488 402 H PHE 52 H PHE 52 -0.018 -13.688 -3.705 403 HA PHE 52 HA PHE 52 -1.021 -16.319 -3.882 404 HB2 PHE 52 2HB PHE 52 -1.026 -16.738 -1.283 405 HB3 PHE 52 1HB PHE 52 0.372 -17.212 -2.239 406 HD1 PHE 52 1HD PHE 52 -0.051 -13.595 -1.859 407 HD2 PHE 52 2HD PHE 52 1.607 -17.104 -0.002 408 HE1 PHE 52 1HE PHE 52 1.427 -12.179 -0.531 409 HE2 PHE 52 2HE PHE 52 3.064 -15.646 1.381 410 HZ PHE 52 HZ PHE 52 2.956 -13.172 1.115 411 H VAL 53 H VAL 53 -2.835 -16.638 -2.036 412 HA VAL 53 HA VAL 53 -4.512 -14.189 -2.082 413 HB VAL 53 HB VAL 53 -5.175 -17.063 -1.398 414 HG11 VAL 53 1HG1 VAL 53 -6.574 -14.874 -0.586 415 HG12 VAL 53 2HG1 VAL 53 -7.315 -16.433 -0.936 416 HG13 VAL 53 3HG1 VAL 53 -7.307 -15.167 -2.162 417 HG21 VAL 53 1HG2 VAL 53 -6.519 -16.689 -3.637 418 HG22 VAL 53 2HG2 VAL 53 -4.809 -17.118 -3.693 419 HG23 VAL 53 3HG2 VAL 53 -5.305 -15.440 -3.910 420 H GLY 54 H GLY 54 -5.159 -13.220 -0.059 421 HA2 GLY 54 2HA GLY 54 -4.970 -12.798 2.278 422 HA3 GLY 54 1HA GLY 54 -4.734 -14.547 2.489 423 H GLY 55 H GLY 55 -2.989 -12.630 0.270 424 HA2 GLY 55 2HA GLY 55 -0.459 -13.627 1.056 425 HA3 GLY 55 1HA GLY 55 -0.776 -12.364 -0.129 426 H ARG 56 H ARG 56 1.509 -12.100 1.248 427 HA ARG 56 HA ARG 56 0.894 -9.728 2.910 428 HB2 ARG 56 2HB ARG 56 2.393 -12.158 3.876 429 HB3 ARG 56 1HB ARG 56 2.543 -10.582 4.654 430 HG2 ARG 56 2HG ARG 56 0.076 -10.537 4.969 431 HG3 ARG 56 1HG ARG 56 -0.024 -12.152 4.271 432 HD2 ARG 56 2HD ARG 56 1.555 -11.416 6.752 433 HD3 ARG 56 1HD ARG 56 -0.005 -12.239 6.743 434 HE ARG 56 HE ARG 56 2.071 -13.582 5.168 435 HH11 ARG 56 1HH1 ARG 56 2.667 -15.621 5.937 436 HH12 ARG 56 2HH1 ARG 56 2.176 -16.112 7.524 437 HH21 ARG 56 1HH2 ARG 56 0.499 -13.155 8.206 438 HH22 ARG 56 2HH2 ARG 56 0.948 -14.716 8.809 439 H TYR 57 H TYR 57 2.526 -8.242 3.053 440 HA TYR 57 HA TYR 57 5.010 -8.713 1.453 441 HB2 TYR 57 2HB TYR 57 3.606 -6.055 1.853 442 HB3 TYR 57 1HB TYR 57 4.958 -6.387 0.774 443 HD1 TYR 57 1HD TYR 57 1.850 -5.408 0.459 444 HD2 TYR 57 2HD TYR 57 4.093 -8.944 -0.520 445 HE1 TYR 57 1HE TYR 57 0.243 -5.935 -1.350 446 HE2 TYR 57 2HE TYR 57 2.483 -9.466 -2.319 447 HH TYR 57 HH TYR 57 0.712 -8.767 -3.461 448 H TYR 58 H TYR 58 6.945 -7.935 2.496 449 HA TYR 58 HA TYR 58 6.502 -6.991 5.300 450 HB2 TYR 58 2HB TYR 58 8.588 -8.956 4.344 451 HB3 TYR 58 1HB TYR 58 8.326 -8.435 6.011 452 HD1 TYR 58 1HD TYR 58 6.811 -9.588 7.372 453 HD2 TYR 58 2HD TYR 58 6.514 -9.942 3.101 454 HE1 TYR 58 1HE TYR 58 5.000 -11.259 7.631 455 HE2 TYR 58 2HE TYR 58 4.701 -11.596 3.356 456 HH TYR 58 HH TYR 58 4.148 -13.318 5.887 457 H GLU 59 H GLU 59 8.064 -5.672 6.226 458 HA GLU 59 HA GLU 59 10.084 -4.473 4.366 459 HB2 GLU 59 2HB GLU 59 8.153 -2.942 4.705 460 HB3 GLU 59 1HB GLU 59 8.399 -3.034 6.444 461 HG2 GLU 59 2HG GLU 59 10.722 -2.139 6.085 462 HG3 GLU 59 1HG GLU 59 10.310 -1.905 4.385 463 H TRP 60 H TRP 60 12.079 -4.036 5.323 464 HA TRP 60 HA TRP 60 12.424 -5.079 8.108 465 HB2 TRP 60 2HB TRP 60 13.970 -5.249 5.638 466 HB3 TRP 60 1HB TRP 60 14.942 -4.658 6.983 467 HD1 TRP 60 HD TRP 60 14.506 -6.238 9.353 468 HE1 TRP 60 1HE TRP 60 14.590 -8.821 9.450 469 HE3 TRP 60 3HE TRP 60 13.706 -7.344 4.429 470 HZ2 TRP 60 2HZ TRP 60 14.327 -11.054 7.665 471 HZ3 TRP 60 3HZ TRP 60 13.626 -9.693 3.656 472 HH2 TRP 60 HH TRP 60 13.937 -11.548 5.264 473 H ASP 61 H ASP 61 12.963 -3.569 9.680 474 HA ASP 61 HA ASP 61 13.779 -0.860 8.668 475 HB2 ASP 61 2HB ASP 61 13.306 -0.846 11.491 476 HB3 ASP 61 1HB ASP 61 12.404 -0.017 10.228 477 H ILE 62 H ILE 62 15.810 -0.092 9.191 478 HA ILE 62 HA ILE 62 17.884 -1.841 9.816 479 HB ILE 62 HB ILE 62 19.278 0.100 10.199 480 HG12 ILE 62 2HG1 ILE 62 17.757 1.332 11.716 481 HG13 ILE 62 1HG1 ILE 62 18.363 2.352 10.428 482 HG21 ILE 62 1HG2 ILE 62 17.198 0.259 8.058 483 HG22 ILE 62 2HG2 ILE 62 18.919 -0.104 7.921 484 HG23 ILE 62 3HG2 ILE 62 18.385 1.550 8.218 485 HD11 ILE 62 1HD1 ILE 62 16.075 2.880 10.497 486 HD12 ILE 62 2HD1 ILE 62 15.594 1.212 10.776 487 HD13 ILE 62 3HD1 ILE 62 16.158 1.712 9.185 488 H ASP 63 H ASP 63 15.950 0.091 12.067 489 HA ASP 63 HA ASP 63 17.403 -1.223 14.317 490 HB2 ASP 63 2HB ASP 63 15.581 1.206 14.256 491 HB3 ASP 63 1HB ASP 63 16.264 0.512 15.728 492 H GLY 64 H GLY 64 14.684 -1.438 12.406 493 HA2 GLY 64 2HA GLY 64 13.127 -2.759 14.568 494 HA3 GLY 64 1HA GLY 64 12.396 -2.038 13.147 495 H THR 65 H THR 65 12.480 -4.765 14.341 496 HA THR 65 HA THR 65 13.824 -6.623 12.679 497 HB THR 65 HB THR 65 11.154 -7.026 14.039 498 HG1 THR 65 1HG THR 65 13.261 -7.758 15.515 499 HG21 THR 65 1HG2 THR 65 12.485 -9.277 14.496 500 HG22 THR 65 2HG2 THR 65 13.356 -8.787 13.046 501 HG23 THR 65 3HG2 THR 65 11.610 -9.028 12.988 502 H GLU 66 H GLU 66 12.292 -8.290 11.409 503 HA GLU 66 HA GLU 66 11.222 -6.828 9.126 504 HB2 GLU 66 2HB GLU 66 12.352 -9.126 9.054 505 HB3 GLU 66 1HB GLU 66 10.874 -9.770 9.738 506 HG2 GLU 66 2HG GLU 66 9.611 -8.773 7.849 507 HG3 GLU 66 1HG GLU 66 11.143 -8.282 7.127 508 H ILE 67 H ILE 67 9.010 -6.543 8.643 509 HA ILE 67 HA ILE 67 7.020 -7.831 10.414 510 HB ILE 67 HB ILE 67 7.671 -5.704 11.540 511 HG12 ILE 67 2HG1 ILE 67 4.893 -5.463 10.403 512 HG13 ILE 67 1HG1 ILE 67 5.318 -6.753 11.527 513 HG21 ILE 67 1HG2 ILE 67 7.817 -4.689 9.000 514 HG22 ILE 67 2HG2 ILE 67 7.710 -3.701 10.457 515 HG23 ILE 67 3HG2 ILE 67 6.253 -4.070 9.533 516 HD11 ILE 67 1HD1 ILE 67 5.698 -3.797 12.065 517 HD12 ILE 67 2HD1 ILE 67 6.018 -5.114 13.193 518 HD13 ILE 67 3HD1 ILE 67 4.364 -4.770 12.685 519 H VAL 68 H VAL 68 4.760 -7.347 9.671 520 HA VAL 68 HA VAL 68 4.702 -7.088 6.696 521 HB VAL 68 HB VAL 68 3.796 -9.202 7.644 522 HG11 VAL 68 1HG1 VAL 68 1.401 -7.925 8.767 523 HG12 VAL 68 2HG1 VAL 68 2.872 -7.568 9.670 524 HG13 VAL 68 3HG1 VAL 68 2.380 -9.241 9.414 525 HG21 VAL 68 1HG2 VAL 68 1.631 -7.371 6.558 526 HG22 VAL 68 2HG2 VAL 68 1.634 -9.133 6.493 527 HG23 VAL 68 3HG2 VAL 68 2.822 -8.215 5.569 528 H TRP 69 H TRP 69 3.546 -5.385 5.804 529 HA TRP 69 HA TRP 69 2.249 -3.528 7.765 530 HB2 TRP 69 2HB TRP 69 2.742 -1.736 6.244 531 HB3 TRP 69 1HB TRP 69 4.211 -2.701 6.393 532 HD1 TRP 69 HD TRP 69 1.154 -2.428 4.034 533 HE1 TRP 69 1HE TRP 69 1.897 -3.056 1.666 534 HE3 TRP 69 3HE TRP 69 6.028 -3.608 4.925 535 HZ2 TRP 69 2HZ TRP 69 4.235 -3.868 0.304 536 HZ3 TRP 69 3HZ TRP 69 7.501 -4.277 3.037 537 HH2 TRP 69 HH TRP 69 6.608 -4.413 0.746 538 H GLY 70 H GLY 70 1.328 -5.832 5.550 539 HA2 GLY 70 2HA GLY 70 -1.375 -4.783 5.425 540 HA3 GLY 70 1HA GLY 70 -0.552 -4.657 3.874 541 H ARG 71 H ARG 71 -2.436 -6.163 3.356 542 HA ARG 71 HA ARG 71 -1.437 -8.926 3.394 543 HB2 ARG 71 2HB ARG 71 -3.247 -8.295 5.316 544 HB3 ARG 71 1HB ARG 71 -4.335 -8.703 3.997 545 HG2 ARG 71 2HG ARG 71 -3.046 -10.844 3.691 546 HG3 ARG 71 1HG ARG 71 -2.179 -10.457 5.175 547 HD2 ARG 71 2HD ARG 71 -4.317 -10.372 6.404 548 HD3 ARG 71 1HD ARG 71 -5.180 -10.774 4.920 549 HE ARG 71 HE ARG 71 -3.096 -12.689 5.747 550 HH11 ARG 71 1HH1 ARG 71 -3.866 -14.778 6.121 551 HH12 ARG 71 2HH1 ARG 71 -5.573 -15.054 6.224 552 HH21 ARG 71 1HH2 ARG 71 -6.413 -11.731 5.701 553 HH22 ARG 71 2HH2 ARG 71 -7.013 -13.329 5.985 554 H ILE 72 H ILE 72 -3.310 -10.208 2.059 555 HA ILE 72 HA ILE 72 -4.175 -8.484 -0.197 556 HB ILE 72 HB ILE 72 -2.600 -11.040 -0.305 557 HG12 ILE 72 2HG1 ILE 72 -1.555 -9.688 -2.244 558 HG13 ILE 72 1HG1 ILE 72 -2.429 -8.311 -1.578 559 HG21 ILE 72 1HG2 ILE 72 -4.505 -11.587 -1.660 560 HG22 ILE 72 2HG2 ILE 72 -3.194 -11.145 -2.753 561 HG23 ILE 72 3HG2 ILE 72 -4.483 -9.993 -2.417 562 HD11 ILE 72 1HD1 ILE 72 -1.189 -9.556 0.629 563 HD12 ILE 72 2HD1 ILE 72 -0.732 -8.031 -0.123 564 HD13 ILE 72 3HD1 ILE 72 0.025 -9.535 -0.647 565 H LEU 73 H LEU 73 -5.988 -9.674 -1.484 566 HA LEU 73 HA LEU 73 -7.595 -11.309 0.438 567 HB2 LEU 73 2HB LEU 73 -8.364 -9.235 -1.586 568 HB3 LEU 73 1HB LEU 73 -9.523 -10.473 -1.112 569 HG LEU 73 HG LEU 73 -8.027 -9.033 1.041 570 HD11 LEU 73 1HD1 LEU 73 -9.608 -7.199 1.046 571 HD12 LEU 73 2HD1 LEU 73 -10.494 -7.903 -0.308 572 HD13 LEU 73 3HD1 LEU 73 -8.862 -7.281 -0.548 573 HD21 LEU 73 1HD2 LEU 73 -10.271 -9.338 2.162 574 HD22 LEU 73 2HD2 LEU 73 -9.501 -10.849 1.683 575 HD23 LEU 73 3HD2 LEU 73 -10.818 -10.185 0.718 576 H GLU 74 H GLU 74 -7.018 -10.827 -3.040 577 HA GLU 74 HA GLU 74 -6.632 -13.585 -3.654 578 HB2 GLU 74 2HB GLU 74 -9.105 -13.649 -3.053 579 HB3 GLU 74 1HB GLU 74 -9.395 -12.552 -4.403 580 HG2 GLU 74 2HG GLU 74 -8.377 -14.212 -5.943 581 HG3 GLU 74 1HG GLU 74 -8.154 -15.315 -4.585 582 H TRP 75 H TRP 75 -6.451 -13.854 -6.062 583 HA TRP 75 HA TRP 75 -5.882 -11.231 -7.335 584 HB2 TRP 75 2HB TRP 75 -5.009 -14.032 -8.090 585 HB3 TRP 75 1HB TRP 75 -4.554 -12.564 -8.960 586 HD1 TRP 75 HD TRP 75 -4.249 -14.099 -5.432 587 HE1 TRP 75 1HE TRP 75 -2.084 -13.207 -4.350 588 HE3 TRP 75 3HE TRP 75 -2.726 -10.847 -9.061 589 HZ2 TRP 75 2HZ TRP 75 0.016 -11.360 -4.948 590 HZ3 TRP 75 3HZ TRP 75 -0.641 -9.537 -8.781 591 HH2 TRP 75 HH TRP 75 0.731 -9.789 -6.730 592 H ASP 76 H ASP 76 -7.140 -10.515 -9.023 593 HA ASP 76 HA ASP 76 -9.299 -12.312 -9.950 594 HB2 ASP 76 2HB ASP 76 -9.308 -9.639 -9.305 595 HB3 ASP 76 1HB ASP 76 -9.227 -9.597 -11.067 596 HA PRO 77 HA PRO 77 -6.886 -13.669 -13.477 597 HB2 PRO 77 2HB PRO 77 -9.564 -13.462 -14.801 598 HB3 PRO 77 1HB PRO 77 -8.357 -14.751 -14.890 599 HG2 PRO 77 2HG PRO 77 -10.523 -14.916 -13.314 600 HG3 PRO 77 1HG PRO 77 -8.971 -15.658 -12.897 601 HD2 PRO 77 2HD PRO 77 -10.312 -13.349 -11.657 602 HD3 PRO 77 1HD PRO 77 -8.991 -14.352 -11.019 603 HA PRO 78 HA PRO 78 -7.959 -9.976 -16.501 604 HB2 PRO 78 2HB PRO 78 -9.158 -7.859 -15.092 605 HB3 PRO 78 1HB PRO 78 -9.987 -8.923 -16.240 606 HG2 PRO 78 2HG PRO 78 -9.901 -9.046 -13.270 607 HG3 PRO 78 1HG PRO 78 -11.244 -9.377 -14.377 608 HD2 PRO 78 2HD PRO 78 -9.923 -11.393 -13.228 609 HD3 PRO 78 1HD PRO 78 -10.452 -11.499 -14.920 610 H HIS 79 H HIS 79 -7.548 -7.216 -15.440 611 HA HIS 79 HA HIS 79 -4.928 -7.696 -14.128 612 HB2 HIS 79 2HB HIS 79 -4.841 -5.114 -14.863 613 HB3 HIS 79 1HB HIS 79 -4.457 -6.408 -15.994 614 HD1 HIS 79 1HD HIS 79 -7.841 -5.111 -14.775 615 HD2 HIS 79 2HD HIS 79 -5.804 -5.832 -18.342 616 HE1 HIS 79 1HE HIS 79 -9.480 -4.632 -16.642 617 HE2 HIS 79 2HE HIS 79 -8.250 -5.067 -18.819 618 H ARG 80 H ARG 80 -7.105 -8.113 -12.584 619 HA ARG 80 HA ARG 80 -7.179 -5.653 -10.880 620 HB2 ARG 80 2HB ARG 80 -9.280 -5.593 -11.988 621 HB3 ARG 80 1HB ARG 80 -9.498 -7.336 -11.831 622 HG2 ARG 80 2HG ARG 80 -9.816 -7.157 -9.443 623 HG3 ARG 80 1HG ARG 80 -9.364 -5.455 -9.460 624 HD2 ARG 80 2HD ARG 80 -11.326 -4.981 -10.910 625 HD3 ARG 80 1HD ARG 80 -11.784 -6.677 -10.792 626 HE ARG 80 HE ARG 80 -12.219 -4.668 -8.752 627 HH11 ARG 80 1HH1 ARG 80 -13.120 -5.394 -6.809 628 HH12 ARG 80 2HH1 ARG 80 -13.105 -7.086 -6.442 629 HH21 ARG 80 1HH2 ARG 80 -11.504 -7.982 -9.383 630 HH22 ARG 80 2HH2 ARG 80 -12.191 -8.551 -7.899 631 H LEU 81 H LEU 81 -7.286 -6.026 -8.677 632 HA LEU 81 HA LEU 81 -7.651 -8.735 -7.646 633 HB2 LEU 81 2HB LEU 81 -5.315 -8.408 -6.416 634 HB3 LEU 81 1HB LEU 81 -5.405 -9.148 -8.007 635 HG LEU 81 HG LEU 81 -4.973 -6.919 -9.041 636 HD11 LEU 81 1HD1 LEU 81 -3.847 -5.369 -7.171 637 HD12 LEU 81 2HD1 LEU 81 -5.038 -6.177 -6.159 638 HD13 LEU 81 3HD1 LEU 81 -5.559 -5.256 -7.569 639 HD21 LEU 81 1HD2 LEU 81 -2.823 -7.573 -7.028 640 HD22 LEU 81 2HD2 LEU 81 -2.635 -7.014 -8.690 641 HD23 LEU 81 3HD2 LEU 81 -3.188 -8.657 -8.369 642 H ALA 82 H ALA 82 -8.162 -8.697 -5.441 643 HA ALA 82 HA ALA 82 -8.461 -5.963 -4.267 644 HB1 ALA 82 1HB ALA 82 -10.270 -6.817 -2.982 645 HB2 ALA 82 2HB ALA 82 -9.776 -8.490 -3.247 646 HB3 ALA 82 3HB ALA 82 -10.485 -7.560 -4.568 647 H MET 83 H MET 83 -7.724 -5.696 -2.008 648 HA MET 83 HA MET 83 -6.124 -7.965 -1.001 649 HB2 MET 83 2HB MET 83 -4.378 -5.972 -0.462 650 HB3 MET 83 1HB MET 83 -4.281 -6.982 -1.905 651 HG2 MET 83 2HG MET 83 -5.611 -5.326 -3.162 652 HG3 MET 83 1HG MET 83 -5.712 -4.313 -1.721 653 HE1 MET 83 1HE MET 83 -2.401 -4.608 -0.563 654 HE2 MET 83 2HE MET 83 -3.910 -3.720 -0.373 655 HE3 MET 83 3HE MET 83 -2.487 -2.898 -1.006 656 H THR 84 H THR 84 -5.829 -8.047 1.233 657 HA THR 84 HA THR 84 -7.401 -6.005 2.763 658 HB THR 84 HB THR 84 -6.547 -8.839 3.421 659 HG1 THR 84 1HG THR 84 -9.016 -7.489 3.145 660 HG21 THR 84 1HG2 THR 84 -6.208 -7.683 5.464 661 HG22 THR 84 2HG2 THR 84 -7.832 -8.355 5.594 662 HG23 THR 84 3HG2 THR 84 -7.613 -6.649 5.203 663 H TRP 85 H TRP 85 -6.344 -4.975 4.585 664 HA TRP 85 HA TRP 85 -3.369 -5.113 4.387 665 HB2 TRP 85 2HB TRP 85 -3.521 -2.876 4.309 666 HB3 TRP 85 1HB TRP 85 -5.262 -2.957 4.588 667 HD1 TRP 85 HD TRP 85 -1.941 -2.583 6.410 668 HE1 TRP 85 1HE TRP 85 -2.394 -1.736 8.797 669 HE3 TRP 85 3HE TRP 85 -7.036 -2.877 6.501 670 HZ2 TRP 85 2HZ TRP 85 -4.621 -1.243 10.524 671 HZ3 TRP 85 3HZ TRP 85 -8.298 -2.210 8.528 672 HH2 TRP 85 HH TRP 85 -7.098 -1.395 10.538 673 H ARG 86 H ARG 86 -2.277 -6.103 6.057 674 HA ARG 86 HA ARG 86 -3.719 -6.302 8.680 675 HB2 ARG 86 2HB ARG 86 -3.302 -8.476 7.569 676 HB3 ARG 86 1HB ARG 86 -1.572 -8.129 7.564 677 HG2 ARG 86 2HG ARG 86 -1.656 -7.940 10.060 678 HG3 ARG 86 1HG ARG 86 -3.350 -8.426 10.003 679 HD2 ARG 86 2HD ARG 86 -1.043 -10.069 8.925 680 HD3 ARG 86 1HD ARG 86 -1.836 -10.342 10.476 681 HE ARG 86 HE ARG 86 -3.775 -10.328 8.346 682 HH11 ARG 86 1HH1 ARG 86 -4.651 -12.326 7.751 683 HH12 ARG 86 2HH1 ARG 86 -3.829 -13.784 8.199 684 HH21 ARG 86 1HH2 ARG 86 -1.241 -12.142 9.818 685 HH22 ARG 86 2HH2 ARG 86 -1.899 -13.679 9.370 686 H ILE 87 H ILE 87 -2.919 -4.819 10.058 687 HA ILE 87 HA ILE 87 -0.029 -4.808 10.632 688 HB ILE 87 HB ILE 87 -0.783 -2.893 8.901 689 HG12 ILE 87 2HG1 ILE 87 1.004 -2.342 11.295 690 HG13 ILE 87 1HG1 ILE 87 1.492 -3.309 9.903 691 HG21 ILE 87 1HG2 ILE 87 -1.139 -1.531 11.580 692 HG22 ILE 87 2HG2 ILE 87 -2.514 -2.130 10.651 693 HG23 ILE 87 3HG2 ILE 87 -1.469 -0.880 9.976 694 HD11 ILE 87 1HD1 ILE 87 1.981 -1.454 8.732 695 HD12 ILE 87 2HD1 ILE 87 1.617 -0.492 10.165 696 HD13 ILE 87 3HD1 ILE 87 0.351 -0.829 8.985 697 H ASP 88 H ASP 88 0.381 -3.781 12.774 698 HA ASP 88 HA ASP 88 -2.077 -3.900 14.456 699 HB2 ASP 88 2HB ASP 88 -0.263 -5.413 15.116 700 HB3 ASP 88 1HB ASP 88 0.816 -4.037 15.303 701 H GLY 89 H GLY 89 -2.005 -2.375 16.374 702 HA2 GLY 89 2HA GLY 89 -2.064 0.308 15.462 703 HA3 GLY 89 1HA GLY 89 -2.076 -0.167 17.158 704 H HIS 90 H HIS 90 0.531 -1.444 17.176 705 HA HIS 90 HA HIS 90 2.199 1.025 16.986 706 HB2 HIS 90 2HB HIS 90 1.815 -0.733 19.096 707 HB3 HIS 90 1HB HIS 90 3.378 -1.214 18.443 708 HD1 HIS 90 1HD HIS 90 2.701 0.547 21.144 709 HD2 HIS 90 2HD HIS 90 4.335 1.884 17.545 710 HE1 HIS 90 1HE HIS 90 3.955 2.685 21.678 711 HE2 HIS 90 2HE HIS 90 4.954 3.507 19.495 712 H TRP 91 H TRP 91 1.787 -0.481 14.596 713 HA TRP 91 HA TRP 91 3.026 -1.482 12.878 714 HB2 TRP 91 2HB TRP 91 5.159 -0.116 14.516 715 HB3 TRP 91 1HB TRP 91 5.557 -1.026 13.059 716 HD1 TRP 91 HD TRP 91 3.908 -0.316 10.864 717 HE1 TRP 91 1HE TRP 91 3.325 2.069 10.092 718 HE3 TRP 91 3HE TRP 91 4.879 2.269 15.145 719 HZ2 TRP 91 2HZ TRP 91 3.288 4.716 11.158 720 HZ3 TRP 91 3HZ TRP 91 4.570 4.721 15.247 721 HH2 TRP 91 HH TRP 91 3.771 5.954 13.250 722 H GLN 92 H GLN 92 2.197 -3.292 14.723 723 HA GLN 92 HA GLN 92 4.537 -5.142 14.937 724 HB2 GLN 92 2HB GLN 92 2.182 -4.986 16.851 725 HB3 GLN 92 1HB GLN 92 3.555 -6.083 16.974 726 HG2 GLN 92 2HG GLN 92 5.073 -4.109 17.169 727 HG3 GLN 92 1HG GLN 92 3.652 -3.063 17.150 728 HE21 GLN 92 1HE2 GLN 92 5.416 -3.155 19.417 729 HE22 GLN 92 2HE2 GLN 92 4.563 -3.828 20.721 730 H SER 93 H SER 93 3.838 -7.469 14.804 731 HA SER 93 HA SER 93 1.525 -7.711 12.948 732 HB2 SER 93 2HB SER 93 3.944 -9.457 13.444 733 HB3 SER 93 1HB SER 93 2.593 -9.945 12.426 734 HG SER 93 HG SER 93 4.352 -8.905 11.296 735 H VAL 94 H VAL 94 -0.093 -9.246 13.341 736 HA VAL 94 HA VAL 94 0.035 -10.737 15.917 737 HB VAL 94 HB VAL 94 -2.589 -10.063 15.866 738 HG11 VAL 94 1HG1 VAL 94 -2.015 -8.338 17.549 739 HG12 VAL 94 2HG1 VAL 94 -0.335 -8.385 17.015 740 HG13 VAL 94 3HG1 VAL 94 -1.058 -9.802 17.777 741 HG21 VAL 94 1HG2 VAL 94 -2.977 -7.900 15.041 742 HG22 VAL 94 2HG2 VAL 94 -1.912 -8.580 13.810 743 HG23 VAL 94 3HG2 VAL 94 -1.262 -7.491 15.035 744 HA PRO 95 HA PRO 95 -1.464 -14.219 13.689 745 HB2 PRO 95 2HB PRO 95 -3.673 -14.910 15.318 746 HB3 PRO 95 1HB PRO 95 -2.014 -15.512 15.476 747 HG2 PRO 95 2HG PRO 95 -3.409 -13.400 16.997 748 HG3 PRO 95 1HG PRO 95 -2.099 -14.483 17.497 749 HD2 PRO 95 2HD PRO 95 -1.678 -11.850 16.964 750 HD3 PRO 95 1HD PRO 95 -0.442 -13.091 16.653 751 H ASP 96 H ASP 96 -3.834 -11.814 14.687 752 HA ASP 96 HA ASP 96 -5.025 -11.797 12.030 753 HB2 ASP 96 2HB ASP 96 -6.143 -13.726 13.403 754 HB3 ASP 96 1HB ASP 96 -6.940 -12.403 14.256 755 H ASP 97 H ASP 97 -6.263 -9.874 11.729 756 HA ASP 97 HA ASP 97 -5.981 -7.926 13.962 757 HB2 ASP 97 2HB ASP 97 -6.241 -7.576 10.971 758 HB3 ASP 97 1HB ASP 97 -6.355 -6.237 12.113 759 H ASP 98 H ASP 98 -7.820 -7.564 15.076 760 HA ASP 98 HA ASP 98 -10.430 -8.323 14.072 761 HB2 ASP 98 2HB ASP 98 -9.575 -6.685 16.468 762 HB3 ASP 98 1HB ASP 98 -11.237 -7.179 16.152 763 H ARG 99 H ARG 99 -8.470 -5.472 14.047 764 HA ARG 99 HA ARG 99 -10.727 -3.808 13.087 765 HB2 ARG 99 2HB ARG 99 -8.879 -1.988 13.262 766 HB3 ARG 99 1HB ARG 99 -9.558 -2.629 14.759 767 HG2 ARG 99 2HG ARG 99 -7.670 -4.194 14.956 768 HG3 ARG 99 1HG ARG 99 -6.997 -3.589 13.442 769 HD2 ARG 99 2HD ARG 99 -5.826 -2.451 15.188 770 HD3 ARG 99 1HD ARG 99 -6.972 -1.283 14.529 771 HE ARG 99 HE ARG 99 -8.145 -2.714 16.739 772 HH11 ARG 99 1HH1 ARG 99 -8.377 -1.581 18.683 773 HH12 ARG 99 2HH1 ARG 99 -7.461 -0.134 18.940 774 HH21 ARG 99 1HH2 ARG 99 -5.882 -0.269 15.855 775 HH22 ARG 99 2HH2 ARG 99 -6.049 0.609 17.339 776 H ALA 100 H ALA 100 -9.612 -5.884 11.392 777 HA ALA 100 HA ALA 100 -7.872 -4.492 9.472 778 HB1 ALA 100 1HB ALA 100 -7.248 -6.599 9.000 779 HB2 ALA 100 2HB ALA 100 -8.874 -6.948 8.413 780 HB3 ALA 100 3HB ALA 100 -8.473 -7.211 10.110 781 H SER 101 H SER 101 -8.501 -3.798 7.438 782 HA SER 101 HA SER 101 -11.438 -3.854 6.859 783 HB2 SER 101 2HB SER 101 -9.412 -1.705 6.168 784 HB3 SER 101 1HB SER 101 -11.120 -1.678 5.736 785 HG SER 101 HG SER 101 -10.645 -2.165 8.392 786 H GLU 102 H GLU 102 -11.879 -3.630 4.434 787 HA GLU 102 HA GLU 102 -9.864 -5.265 2.952 788 HB2 GLU 102 2HB GLU 102 -12.829 -4.894 2.437 789 HB3 GLU 102 1HB GLU 102 -11.748 -5.923 1.496 790 HG2 GLU 102 2HG GLU 102 -11.234 -7.222 3.554 791 HG3 GLU 102 1HG GLU 102 -12.390 -6.230 4.444 792 H ILE 103 H ILE 103 -9.054 -4.532 1.017 793 HA ILE 103 HA ILE 103 -9.983 -1.838 0.097 794 HB ILE 103 HB ILE 103 -7.184 -2.998 -0.049 795 HG12 ILE 103 2HG1 ILE 103 -8.240 -0.733 1.670 796 HG13 ILE 103 1HG1 ILE 103 -7.980 -2.377 2.260 797 HG21 ILE 103 1HG2 ILE 103 -7.749 -1.442 -1.886 798 HG22 ILE 103 2HG2 ILE 103 -6.570 -0.728 -0.786 799 HG23 ILE 103 3HG2 ILE 103 -8.262 -0.238 -0.703 800 HD11 ILE 103 1HD1 ILE 103 -5.822 -1.858 2.632 801 HD12 ILE 103 2HD1 ILE 103 -6.050 -0.264 1.912 802 HD13 ILE 103 3HD1 ILE 103 -5.613 -1.637 0.894 803 H GLU 104 H GLU 104 -10.447 -1.661 -2.071 804 HA GLU 104 HA GLU 104 -9.988 -4.104 -3.744 805 HB2 GLU 104 2HB GLU 104 -12.380 -3.496 -3.312 806 HB3 GLU 104 1HB GLU 104 -12.091 -1.948 -4.106 807 HG2 GLU 104 2HG GLU 104 -11.378 -3.176 -6.159 808 HG3 GLU 104 1HG GLU 104 -11.801 -4.692 -5.362 809 H VAL 105 H VAL 105 -8.585 -3.838 -5.422 810 HA VAL 105 HA VAL 105 -8.212 -1.090 -6.514 811 HB VAL 105 HB VAL 105 -5.976 -3.083 -6.071 812 HG11 VAL 105 1HG1 VAL 105 -4.528 -1.265 -6.695 813 HG12 VAL 105 2HG1 VAL 105 -5.866 -0.118 -6.676 814 HG13 VAL 105 3HG1 VAL 105 -5.787 -1.358 -7.926 815 HG21 VAL 105 1HG2 VAL 105 -5.438 -0.981 -4.419 816 HG22 VAL 105 2HG2 VAL 105 -6.239 -2.460 -3.888 817 HG23 VAL 105 3HG2 VAL 105 -7.197 -1.040 -4.307 818 H ASP 106 H ASP 106 -8.284 -1.028 -8.735 819 HA ASP 106 HA ASP 106 -8.209 -3.659 -10.168 820 HB2 ASP 106 2HB ASP 106 -9.733 -1.146 -10.922 821 HB3 ASP 106 1HB ASP 106 -9.766 -2.682 -11.795 822 H PHE 107 H PHE 107 -6.708 -3.835 -11.802 823 HA PHE 107 HA PHE 107 -5.303 -1.329 -12.603 824 HB2 PHE 107 2HB PHE 107 -4.260 -4.177 -12.525 825 HB3 PHE 107 1HB PHE 107 -3.382 -2.797 -13.150 826 HD1 PHE 107 1HD PHE 107 -1.914 -1.701 -11.727 827 HD2 PHE 107 2HD PHE 107 -5.281 -3.788 -10.069 828 HE1 PHE 107 1HE PHE 107 -1.109 -1.180 -9.440 829 HE2 PHE 107 2HE PHE 107 -4.478 -3.266 -7.784 830 HZ PHE 107 HZ PHE 107 -2.385 -1.968 -7.464 831 H VAL 108 H VAL 108 -5.114 -0.885 -14.746 832 HA VAL 108 HA VAL 108 -6.115 -2.866 -16.727 833 HB VAL 108 HB VAL 108 -6.743 0.028 -17.112 834 HG11 VAL 108 1HG1 VAL 108 -8.140 -2.578 -17.782 835 HG12 VAL 108 2HG1 VAL 108 -7.214 -1.575 -18.899 836 HG13 VAL 108 3HG1 VAL 108 -8.731 -0.976 -18.227 837 HG21 VAL 108 1HG2 VAL 108 -8.933 -0.383 -15.913 838 HG22 VAL 108 2HG2 VAL 108 -7.528 -0.302 -14.850 839 HG23 VAL 108 3HG2 VAL 108 -8.228 -1.866 -15.269 840 HA PRO 109 HA PRO 109 -2.165 -1.360 -18.350 841 HB2 PRO 109 2HB PRO 109 -1.922 -3.070 -20.438 842 HB3 PRO 109 1HB PRO 109 -1.649 -3.574 -18.758 843 HG2 PRO 109 2HG PRO 109 -4.016 -3.999 -20.498 844 HG3 PRO 109 1HG PRO 109 -3.267 -5.090 -19.323 845 HD2 PRO 109 2HD PRO 109 -5.543 -3.603 -18.815 846 HD3 PRO 109 1HD PRO 109 -4.436 -4.194 -17.552 847 H ASN 110 H ASN 110 -1.986 0.447 -19.542 848 HA ASN 110 HA ASN 110 -3.618 0.681 -22.016 849 HB2 ASN 110 2HB ASN 110 -4.234 2.256 -20.126 850 HB3 ASN 110 1HB ASN 110 -2.643 2.982 -20.336 851 HD21 ASN 110 1HD2 ASN 110 -2.679 4.769 -21.698 852 HD22 ASN 110 2HD2 ASN 110 -3.758 4.991 -22.990 853 H GLY 111 H GLY 111 -2.374 0.626 -23.806 854 HA2 GLY 111 2HA GLY 111 -0.467 0.780 -25.165 855 HA3 GLY 111 1HA GLY 111 -0.129 2.263 -24.270 856 H SER 112 H SER 112 2.010 0.760 -25.057 857 HA SER 112 HA SER 112 2.852 -1.220 -23.162 858 HB2 SER 112 2HB SER 112 5.065 -0.920 -24.106 859 HB3 SER 112 1HB SER 112 3.897 -0.818 -25.420 860 HG SER 112 HG SER 112 4.015 1.585 -24.702 861 H GLY 113 H GLY 113 2.607 2.216 -23.004 862 HA2 GLY 113 2HA GLY 113 3.998 2.146 -20.363 863 HA3 GLY 113 1HA GLY 113 4.335 3.444 -21.511 864 H GLY 114 H GLY 114 1.213 1.925 -20.558 865 HA2 GLY 114 2HA GLY 114 0.418 4.515 -19.348 866 HA3 GLY 114 1HA GLY 114 -0.581 3.881 -20.653 867 H THR 115 H THR 115 -0.762 4.150 -17.483 868 HA THR 115 HA THR 115 -2.073 1.489 -17.176 869 HB THR 115 HB THR 115 -1.040 2.341 -14.642 870 HG1 THR 115 1HG THR 115 0.473 3.374 -16.202 871 HG21 THR 115 1HG2 THR 115 -0.672 -0.031 -16.459 872 HG22 THR 115 2HG2 THR 115 -1.421 0.056 -14.866 873 HG23 THR 115 3HG2 THR 115 0.330 0.146 -15.022 874 H ARG 116 H ARG 116 -4.000 1.542 -16.124 875 HA ARG 116 HA ARG 116 -4.831 4.138 -14.885 876 HB2 ARG 116 2HB ARG 116 -6.006 3.662 -17.044 877 HB3 ARG 116 1HB ARG 116 -6.626 2.171 -16.324 878 HG2 ARG 116 2HG ARG 116 -7.822 3.382 -14.635 879 HG3 ARG 116 1HG ARG 116 -7.023 4.895 -15.069 880 HD2 ARG 116 2HD ARG 116 -8.076 4.830 -17.277 881 HD3 ARG 116 1HD ARG 116 -8.876 3.316 -16.862 882 HE ARG 116 HE ARG 116 -9.759 5.947 -16.073 883 HH11 ARG 116 1HH1 ARG 116 -11.494 6.056 -14.628 884 HH12 ARG 116 2HH1 ARG 116 -11.922 4.655 -13.704 885 HH21 ARG 116 1HH2 ARG 116 -9.423 2.670 -15.056 886 HH22 ARG 116 2HH2 ARG 116 -10.750 2.739 -13.946 887 H VAL 117 H VAL 117 -5.033 3.801 -12.713 888 HA VAL 117 HA VAL 117 -5.960 1.102 -11.813 889 HB VAL 117 HB VAL 117 -3.935 2.921 -10.493 890 HG11 VAL 117 1HG1 VAL 117 -5.260 1.744 -8.819 891 HG12 VAL 117 2HG1 VAL 117 -3.676 0.975 -8.929 892 HG13 VAL 117 3HG1 VAL 117 -5.075 0.224 -9.696 893 HG21 VAL 117 1HG2 VAL 117 -3.783 0.633 -12.356 894 HG22 VAL 117 2HG2 VAL 117 -2.745 0.489 -10.937 895 HG23 VAL 117 3HG2 VAL 117 -2.585 1.881 -12.008 896 H GLU 118 H GLU 118 -7.520 1.033 -10.272 897 HA GLU 118 HA GLU 118 -8.504 3.651 -9.202 898 HB2 GLU 118 2HB GLU 118 -10.078 1.114 -9.766 899 HB3 GLU 118 1HB GLU 118 -10.743 2.613 -9.116 900 HG2 GLU 118 2HG GLU 118 -10.032 3.801 -11.176 901 HG3 GLU 118 1HG GLU 118 -9.439 2.275 -11.833 902 H LEU 119 H LEU 119 -7.572 3.669 -7.159 903 HA LEU 119 HA LEU 119 -7.700 1.162 -5.562 904 HB2 LEU 119 2HB LEU 119 -5.499 2.372 -5.850 905 HB3 LEU 119 1HB LEU 119 -6.192 3.707 -4.935 906 HG LEU 119 HG LEU 119 -6.464 1.034 -3.679 907 HD11 LEU 119 1HD1 LEU 119 -3.784 2.446 -3.851 908 HD12 LEU 119 2HD1 LEU 119 -4.179 0.921 -4.645 909 HD13 LEU 119 3HD1 LEU 119 -4.142 1.014 -2.885 910 HD21 LEU 119 1HD2 LEU 119 -6.993 3.480 -2.809 911 HD22 LEU 119 2HD2 LEU 119 -5.271 3.493 -2.434 912 HD23 LEU 119 3HD2 LEU 119 -6.322 2.276 -1.710 913 H ALA 120 H ALA 120 -9.173 1.017 -3.937 914 HA ALA 120 HA ALA 120 -10.255 3.558 -2.799 915 HB1 ALA 120 1HB ALA 120 -11.701 1.989 -4.505 916 HB2 ALA 120 2HB ALA 120 -12.415 3.004 -3.252 917 HB3 ALA 120 3HB ALA 120 -12.139 1.289 -2.947 918 H HIS 121 H HIS 121 -9.681 3.541 -0.678 919 HA HIS 121 HA HIS 121 -9.605 0.919 0.750 920 HB2 HIS 121 2HB HIS 121 -8.065 1.848 2.244 921 HB3 HIS 121 1HB HIS 121 -7.634 2.674 0.749 922 HD1 HIS 121 1HD HIS 121 -9.452 3.228 4.017 923 HD2 HIS 121 2HD HIS 121 -8.123 5.446 0.744 924 HE1 HIS 121 1HE HIS 121 -9.675 5.671 4.667 925 HE2 HIS 121 2HE HIS 121 -8.886 7.026 2.673 926 H VAL 122 H VAL 122 -11.318 0.483 2.083 927 HA VAL 122 HA VAL 122 -12.946 2.812 3.014 928 HB VAL 122 HB VAL 122 -14.961 1.419 2.648 929 HG11 VAL 122 1HG1 VAL 122 -15.115 2.157 0.500 930 HG12 VAL 122 2HG1 VAL 122 -13.668 1.284 -0.003 931 HG13 VAL 122 3HG1 VAL 122 -13.521 2.846 0.804 932 HG21 VAL 122 1HG2 VAL 122 -13.045 -0.646 2.472 933 HG22 VAL 122 2HG2 VAL 122 -13.712 -0.484 0.847 934 HG23 VAL 122 3HG2 VAL 122 -14.785 -0.791 2.213 935 H LYS 123 H LYS 123 -14.206 2.485 4.880 936 HA LYS 123 HA LYS 123 -14.538 1.832 7.089 937 HB2 LYS 123 2HB LYS 123 -13.730 -0.945 6.257 938 HB3 LYS 123 1HB LYS 123 -14.966 -0.452 7.416 939 HG2 LYS 123 2HG LYS 123 -15.073 -0.178 4.399 940 HG3 LYS 123 1HG LYS 123 -16.107 -1.175 5.416 941 HD2 LYS 123 2HD LYS 123 -16.981 0.893 6.505 942 HD3 LYS 123 1HD LYS 123 -16.010 1.861 5.393 943 HE2 LYS 123 2HE LYS 123 -17.444 1.551 3.681 944 HE3 LYS 123 1HE LYS 123 -17.624 -0.168 4.031 945 HZ1 LYS 123 1HZ LYS 123 -18.840 1.216 6.107 946 HZ2 LYS 123 2HZ LYS 123 -19.592 0.284 4.902 947 HZ3 LYS 123 3HZ LYS 123 -19.366 1.952 4.673 948 H LEU 124 H LEU 124 -11.819 2.678 6.290 949 HA LEU 124 HA LEU 124 -9.940 0.993 7.712 950 HB2 LEU 124 2HB LEU 124 -9.880 3.781 6.592 951 HB3 LEU 124 1HB LEU 124 -8.592 3.242 7.669 952 HG LEU 124 HG LEU 124 -8.158 2.867 5.201 953 HD11 LEU 124 1HD1 LEU 124 -7.685 1.176 7.435 954 HD12 LEU 124 2HD1 LEU 124 -6.739 1.296 5.952 955 HD13 LEU 124 3HD1 LEU 124 -8.058 0.132 6.064 956 HD21 LEU 124 1HD2 LEU 124 -10.619 2.145 4.855 957 HD22 LEU 124 2HD2 LEU 124 -10.102 0.577 5.477 958 HD23 LEU 124 3HD2 LEU 124 -9.376 1.225 4.009 959 H HIS 125 H HIS 125 -11.841 3.874 8.469 960 HA HIS 125 HA HIS 125 -10.876 4.639 10.946 961 HB2 HIS 125 2HB HIS 125 -12.702 5.881 10.129 962 HB3 HIS 125 1HB HIS 125 -13.688 4.438 9.910 963 HD1 HIS 125 1HD HIS 125 -11.746 5.491 13.009 964 HD2 HIS 125 2HD HIS 125 -15.684 4.814 11.811 965 HE1 HIS 125 1HE HIS 125 -13.173 5.672 15.095 966 HE2 HIS 125 2HE HIS 125 -15.571 5.267 14.377 967 H ARG 126 H ARG 126 -12.068 1.582 10.126 968 HA ARG 126 HA ARG 126 -13.270 0.667 12.490 969 HB2 ARG 126 2HB ARG 126 -12.985 -0.671 10.395 970 HB3 ARG 126 1HB ARG 126 -11.287 -0.880 10.816 971 HG2 ARG 126 2HG ARG 126 -11.980 -1.909 12.975 972 HG3 ARG 126 1HG ARG 126 -13.663 -1.785 12.461 973 HD2 ARG 126 2HD ARG 126 -11.502 -3.305 10.974 974 HD3 ARG 126 1HD ARG 126 -12.726 -4.038 12.008 975 HE ARG 126 HE ARG 126 -13.146 -3.052 9.299 976 HH11 ARG 126 1HH1 ARG 126 -15.247 -3.276 8.496 977 HH12 ARG 126 2HH1 ARG 126 -16.546 -3.617 9.590 978 HH21 ARG 126 1HH2 ARG 126 -14.520 -3.656 12.403 979 HH22 ARG 126 2HH2 ARG 126 -16.135 -3.831 11.802 980 H HIS 127 H HIS 127 -9.849 1.294 11.813 981 HA HIS 127 HA HIS 127 -8.955 0.053 14.288 982 HB2 HIS 127 2HB HIS 127 -6.851 1.555 13.755 983 HB3 HIS 127 1HB HIS 127 -7.186 0.125 12.789 984 HD1 HIS 127 1HD HIS 127 -9.093 3.367 12.412 985 HD2 HIS 127 2HD HIS 127 -6.179 1.171 10.394 986 HE1 HIS 127 1HE HIS 127 -8.787 4.466 10.153 987 HE2 HIS 127 2HE HIS 127 -7.023 3.144 8.916 988 H GLY 128 H GLY 128 -10.358 3.077 13.481 989 HA2 GLY 128 2HA GLY 128 -11.165 4.626 15.114 990 HA3 GLY 128 1HA GLY 128 -10.073 3.910 16.296 991 H ASP 129 H ASP 129 -9.790 6.371 16.620 992 HA ASP 129 HA ASP 129 -8.291 7.891 14.692 993 HB2 ASP 129 2HB ASP 129 -8.605 8.215 17.689 994 HB3 ASP 129 1HB ASP 129 -7.828 9.402 16.640 995 H GLY 130 H GLY 130 -6.043 8.405 14.716 996 HA2 GLY 130 2HA GLY 130 -3.776 8.150 15.528 997 HA3 GLY 130 1HA GLY 130 -4.304 6.747 16.469 998 H ALA 131 H ALA 131 -5.832 6.248 13.690 999 HA ALA 131 HA ALA 131 -4.125 4.142 12.807 1000 HB1 ALA 131 1HB ALA 131 -5.613 4.071 10.841 1001 HB2 ALA 131 2HB ALA 131 -6.325 5.608 11.330 1002 HB3 ALA 131 3HB ALA 131 -6.527 4.180 12.342 1003 H TRP 132 H TRP 132 -4.661 7.451 11.537 1004 HA TRP 132 HA TRP 132 -2.964 7.235 9.289 1005 HB2 TRP 132 2HB TRP 132 -4.421 9.234 9.874 1006 HB3 TRP 132 1HB TRP 132 -3.165 9.719 11.018 1007 HD1 TRP 132 HD TRP 132 -0.761 10.341 9.996 1008 HE1 TRP 132 1HE TRP 132 -0.079 11.188 7.660 1009 HE3 TRP 132 3HE TRP 132 -4.992 9.181 7.355 1010 HZ2 TRP 132 2HZ TRP 132 -1.176 11.351 5.032 1011 HZ3 TRP 132 3HZ TRP 132 -5.137 9.699 4.942 1012 HH2 TRP 132 HH TRP 132 -3.241 10.784 3.776 1013 H ASN 133 H ASN 133 -2.235 7.483 12.705 1014 HA ASN 133 HA ASN 133 0.488 8.272 12.579 1015 HB2 ASN 133 2HB ASN 133 -0.953 7.765 14.662 1016 HB3 ASN 133 1HB ASN 133 -0.533 6.074 14.389 1017 HD21 ASN 133 1HD2 ASN 133 0.602 6.369 16.588 1018 HD22 ASN 133 2HD2 ASN 133 2.182 6.987 16.577 1019 H ILE 134 H ILE 134 -1.063 5.113 12.216 1020 HA ILE 134 HA ILE 134 1.276 3.565 11.737 1021 HB ILE 134 HB ILE 134 -1.523 3.238 10.635 1022 HG12 ILE 134 2HG1 ILE 134 -0.211 1.975 13.060 1023 HG13 ILE 134 1HG1 ILE 134 -1.344 3.328 13.132 1024 HG21 ILE 134 1HG2 ILE 134 -0.205 0.768 11.034 1025 HG22 ILE 134 2HG2 ILE 134 0.912 1.809 10.152 1026 HG23 ILE 134 3HG2 ILE 134 -0.697 1.492 9.504 1027 HD11 ILE 134 1HD1 ILE 134 -2.577 1.381 11.503 1028 HD12 ILE 134 2HD1 ILE 134 -3.031 1.837 13.144 1029 HD13 ILE 134 3HD1 ILE 134 -1.909 0.503 12.879 1030 H HIS 135 H HIS 135 -0.850 5.477 9.668 1031 HA HIS 135 HA HIS 135 0.395 4.840 7.172 1032 HB2 HIS 135 2HB HIS 135 -1.828 5.900 7.286 1033 HB3 HIS 135 1HB HIS 135 -1.105 7.355 7.974 1034 HD1 HIS 135 1HD HIS 135 1.297 6.170 5.701 1035 HD2 HIS 135 2HD HIS 135 -2.297 8.219 5.256 1036 HE1 HIS 135 1HE HIS 135 1.388 7.225 3.412 1037 HE2 HIS 135 2HE HIS 135 -0.810 8.484 3.113 1038 H LYS 136 H LYS 136 1.127 7.243 9.672 1039 HA LYS 136 HA LYS 136 2.886 8.892 8.220 1040 HB2 LYS 136 2HB LYS 136 3.120 7.923 11.070 1041 HB3 LYS 136 1HB LYS 136 4.117 9.187 10.384 1042 HG2 LYS 136 2HG LYS 136 2.066 10.467 9.834 1043 HG3 LYS 136 1HG LYS 136 1.110 9.217 10.618 1044 HD2 LYS 136 2HD LYS 136 2.376 9.623 12.731 1045 HD3 LYS 136 1HD LYS 136 3.217 10.952 11.932 1046 HE2 LYS 136 2HE LYS 136 0.813 11.818 11.388 1047 HE3 LYS 136 1HE LYS 136 0.314 10.745 12.695 1048 HZ1 LYS 136 1HZ LYS 136 0.750 12.668 13.828 1049 HZ2 LYS 136 2HZ LYS 136 2.019 13.133 12.798 1050 HZ3 LYS 136 3HZ LYS 136 2.258 11.902 13.943 1051 H ALA 137 H ALA 137 3.375 5.679 9.585 1052 HA ALA 137 HA ALA 137 6.205 5.542 9.025 1053 HB1 ALA 137 1HB ALA 137 4.050 3.501 9.432 1054 HB2 ALA 137 2HB ALA 137 5.512 3.776 10.381 1055 HB3 ALA 137 3HB ALA 137 5.612 2.985 8.811 1056 H LEU 138 H LEU 138 3.303 4.622 7.176 1057 HA LEU 138 HA LEU 138 4.773 3.755 4.850 1058 HB2 LEU 138 2HB LEU 138 1.937 4.822 4.998 1059 HB3 LEU 138 1HB LEU 138 2.625 3.867 3.691 1060 HG LEU 138 HG LEU 138 2.223 2.961 6.554 1061 HD11 LEU 138 1HD1 LEU 138 0.845 2.408 3.933 1062 HD12 LEU 138 2HD1 LEU 138 0.130 2.818 5.492 1063 HD13 LEU 138 3HD1 LEU 138 0.813 1.214 5.230 1064 HD21 LEU 138 1HD2 LEU 138 3.699 1.796 4.209 1065 HD22 LEU 138 2HD2 LEU 138 2.902 0.714 5.352 1066 HD23 LEU 138 3HD2 LEU 138 4.158 1.819 5.912 1067 H ASP 139 H ASP 139 3.671 6.817 6.108 1068 HA ASP 139 HA ASP 139 4.417 8.974 5.520 1069 HB2 ASP 139 2HB ASP 139 6.368 7.391 4.480 1070 HB3 ASP 139 1HB ASP 139 5.754 8.163 3.020 1071 H GLY 140 H GLY 140 2.496 9.929 4.920 1072 HA2 GLY 140 2HA GLY 140 0.947 9.285 2.618 1073 HA3 GLY 140 1HA GLY 140 0.890 10.836 3.459 1074 HA PRO 141 HA PRO 141 3.429 10.898 -0.667 1075 HB2 PRO 141 2HB PRO 141 1.474 11.667 -2.446 1076 HB3 PRO 141 1HB PRO 141 1.982 9.986 -2.188 1077 HG2 PRO 141 2HG PRO 141 -0.391 11.429 -1.131 1078 HG3 PRO 141 1HG PRO 141 -0.240 9.753 -1.686 1079 HD2 PRO 141 2HD PRO 141 -0.292 10.432 0.960 1080 HD3 PRO 141 1HD PRO 141 0.581 9.010 0.347 1081 H SER 142 H SER 142 4.296 12.842 -1.361 1082 HA SER 142 HA SER 142 3.772 15.261 0.001 1083 HB2 SER 142 2HB SER 142 5.557 14.357 -1.956 1084 HB3 SER 142 1HB SER 142 4.690 15.664 -2.752 1085 HG SER 142 HG SER 142 6.521 15.731 -0.727 1086 HA PRO 143 HA PRO 143 0.327 17.436 -1.811 1087 HB2 PRO 143 2HB PRO 143 2.113 18.642 -3.905 1088 HB3 PRO 143 1HB PRO 143 0.821 19.410 -2.954 1089 HG2 PRO 143 2HG PRO 143 3.375 19.744 -2.302 1090 HG3 PRO 143 1HG PRO 143 2.125 19.570 -1.059 1091 HD2 PRO 143 2HD PRO 143 4.237 17.662 -1.859 1092 HD3 PRO 143 1HD PRO 143 3.359 17.777 -0.322 1093 H GLY 144 H GLY 144 2.488 15.640 -3.841 1094 HA2 GLY 144 2HA GLY 144 0.616 15.407 -6.079 1095 HA3 GLY 144 1HA GLY 144 2.138 14.530 -5.904 1096 H GLU 145 H GLU 145 0.325 12.873 -6.725 1097 HA GLU 145 HA GLU 145 -1.090 11.715 -4.393 1098 HB2 GLU 145 2HB GLU 145 -1.223 10.990 -7.326 1099 HB3 GLU 145 1HB GLU 145 -2.238 10.309 -6.058 1100 HG2 GLU 145 2HG GLU 145 -2.119 13.247 -6.801 1101 HG3 GLU 145 1HG GLU 145 -3.394 12.131 -7.288 1102 H THR 146 H THR 146 -0.899 9.314 -4.097 1103 HA THR 146 HA THR 146 1.799 8.475 -3.870 1104 HB THR 146 HB THR 146 -0.740 6.854 -4.050 1105 HG1 THR 146 1HG THR 146 -0.902 7.730 -2.153 1106 HG21 THR 146 1HG2 THR 146 2.101 6.056 -3.430 1107 HG22 THR 146 2HG2 THR 146 1.010 5.360 -4.631 1108 HG23 THR 146 3HG2 THR 146 0.717 5.093 -2.911 1109 H LEU 147 H LEU 147 -0.555 8.087 -6.447 1110 HA LEU 147 HA LEU 147 0.993 6.264 -8.022 1111 HB2 LEU 147 2HB LEU 147 -1.116 8.264 -8.873 1112 HB3 LEU 147 1HB LEU 147 -0.501 6.936 -9.849 1113 HG LEU 147 HG LEU 147 -1.132 5.480 -7.731 1114 HD11 LEU 147 1HD1 LEU 147 -2.284 6.555 -6.134 1115 HD12 LEU 147 2HD1 LEU 147 -3.567 6.864 -7.301 1116 HD13 LEU 147 3HD1 LEU 147 -2.285 8.047 -7.068 1117 HD21 LEU 147 1HD2 LEU 147 -3.614 5.583 -8.825 1118 HD22 LEU 147 2HD2 LEU 147 -2.250 4.772 -9.596 1119 HD23 LEU 147 3HD2 LEU 147 -2.691 6.405 -10.081 1120 H ALA 148 H ALA 148 1.066 9.720 -7.554 1121 HA ALA 148 HA ALA 148 2.470 10.424 -9.963 1122 HB1 ALA 148 1HB ALA 148 1.480 11.767 -7.639 1123 HB2 ALA 148 2HB ALA 148 1.988 12.469 -9.175 1124 HB3 ALA 148 3HB ALA 148 3.163 12.237 -7.881 1125 H ARG 149 H ARG 149 3.689 9.944 -6.629 1126 HA ARG 149 HA ARG 149 6.419 10.430 -7.339 1127 HB2 ARG 149 2HB ARG 149 6.708 8.947 -5.121 1128 HB3 ARG 149 1HB ARG 149 6.188 10.630 -5.074 1129 HG2 ARG 149 2HG ARG 149 3.986 10.088 -4.626 1130 HG3 ARG 149 1HG ARG 149 4.096 8.537 -5.453 1131 HD2 ARG 149 2HD ARG 149 3.928 8.109 -3.079 1132 HD3 ARG 149 1HD ARG 149 5.566 7.713 -3.596 1133 HE ARG 149 HE ARG 149 5.616 10.405 -2.752 1134 HH11 ARG 149 1HH1 ARG 149 6.286 10.917 -0.653 1135 HH12 ARG 149 2HH1 ARG 149 6.212 9.708 0.585 1136 HH21 ARG 149 1HH2 ARG 149 4.941 7.259 -1.514 1137 HH22 ARG 149 2HH2 ARG 149 5.451 7.637 0.097 1138 H PHE 150 H PHE 150 4.747 7.303 -6.753 1139 HA PHE 150 HA PHE 150 7.058 5.737 -7.390 1140 HB2 PHE 150 2HB PHE 150 5.761 3.975 -6.817 1141 HB3 PHE 150 1HB PHE 150 4.578 5.193 -6.341 1142 HD1 PHE 150 1HD PHE 150 5.054 2.318 -8.303 1143 HD2 PHE 150 2HD PHE 150 3.172 6.164 -8.370 1144 HE1 PHE 150 1HE PHE 150 3.476 1.511 -10.040 1145 HE2 PHE 150 2HE PHE 150 1.588 5.367 -10.108 1146 HZ PHE 150 HZ PHE 150 1.746 3.038 -10.941 1147 H ALA 151 H ALA 151 4.405 6.991 -9.360 1148 HA ALA 151 HA ALA 151 5.011 5.493 -11.733 1149 HB1 ALA 151 1HB ALA 151 3.736 8.213 -11.361 1150 HB2 ALA 151 2HB ALA 151 2.900 6.669 -11.520 1151 HB3 ALA 151 3HB ALA 151 3.784 7.342 -12.891 1152 H ASN 152 H ASN 152 6.149 8.564 -10.446 1153 HA ASN 152 HA ASN 152 7.585 9.520 -12.677 1154 HB2 ASN 152 2HB ASN 152 8.179 9.758 -9.731 1155 HB3 ASN 152 1HB ASN 152 8.989 10.699 -10.977 1156 HD21 ASN 152 1HD2 ASN 152 7.369 11.887 -8.897 1157 HD22 ASN 152 2HD2 ASN 152 6.015 12.599 -9.640 1158 H VAL 153 H VAL 153 8.723 7.426 -10.026 1159 HA VAL 153 HA VAL 153 11.375 7.158 -11.116 1160 HB VAL 153 HB VAL 153 11.498 5.195 -9.529 1161 HG11 VAL 153 1HG1 VAL 153 10.496 7.887 -8.558 1162 HG12 VAL 153 2HG1 VAL 153 12.177 7.394 -8.771 1163 HG13 VAL 153 3HG1 VAL 153 11.202 6.670 -7.494 1164 HG21 VAL 153 1HG2 VAL 153 9.080 4.627 -9.676 1165 HG22 VAL 153 2HG2 VAL 153 8.710 6.128 -8.834 1166 HG23 VAL 153 3HG2 VAL 153 9.615 4.858 -8.013 1167 H ILE 154 H ILE 154 8.405 5.286 -11.495 1168 HA ILE 154 HA ILE 154 9.580 3.051 -12.817 1169 HB ILE 154 HB ILE 154 6.803 4.231 -12.975 1170 HG12 ILE 154 2HG1 ILE 154 7.873 1.784 -11.573 1171 HG13 ILE 154 1HG1 ILE 154 7.601 3.326 -10.785 1172 HG21 ILE 154 1HG2 ILE 154 8.095 2.042 -14.456 1173 HG22 ILE 154 2HG2 ILE 154 6.637 2.956 -14.840 1174 HG23 ILE 154 3HG2 ILE 154 6.562 1.615 -13.700 1175 HD11 ILE 154 1HD1 ILE 154 5.696 1.746 -10.482 1176 HD12 ILE 154 2HD1 ILE 154 5.461 1.744 -12.230 1177 HD13 ILE 154 3HD1 ILE 154 5.225 3.231 -11.310 1178 HBB 96F 201 HBB SUM 155 -2.590 12.845 -1.148 1179 HBC 96F 201 HBC SUM 155 -3.762 12.156 -2.297 1180 HBA 96F 201 HBA SUM 155 -2.034 11.755 -2.442 1181 HA2 96F 201 2HA SUM 155 -3.580 11.081 0.079 1182 HA1 96F 201 1HA SUM 155 -2.071 10.363 -0.532 1183 HAY 96F 201 HAY SUM 155 -5.439 8.524 -0.666 1184 HAZ 96F 201 HAZ SUM 155 -5.991 9.938 -1.596 1185 HA0 96F 201 0HA SUM 155 -5.263 10.161 0.011 1186 HBE 96F 201 HBE SUM 155 -4.840 10.556 -3.048 1187 H1 96F 201 HAV SUM 155 -3.339 8.021 -3.649 1188 HAS 96F 201 HAS SUM 155 -5.100 7.141 -4.647 1189 HAT 96F 201 HAT SUM 155 -5.637 5.929 -3.459 1190 HAU 96F 201 HAU SUM 155 -6.115 5.773 -5.165 1191 HAK 96F 201 HAK SUM 155 -4.847 4.696 -6.686 1192 HAF 96F 201 HAF SUM 155 -2.157 2.160 -9.769 1193 HAE 96F 201 HAE SUM 155 -0.042 0.995 -10.319 1194 HAD 96F 201 HAD SUM 155 1.816 0.952 -8.669 1195 HAR 96F 201 HAR SUM 155 2.242 2.940 -6.390 1196 HAQ 96F 201 HAQ SUM 155 -1.144 3.100 -3.204 Start of MODEL 4 1 H MET 1 1HT MET 1 -4.174 14.748 5.385 2 HA MET 1 HA MET 1 -4.211 12.778 6.430 3 HB2 MET 1 2HB MET 1 -2.193 14.314 8.096 4 HB3 MET 1 1HB MET 1 -2.325 12.555 8.053 5 HG2 MET 1 2HG MET 1 -1.410 12.401 5.960 6 HG3 MET 1 1HG MET 1 -2.133 13.917 5.420 7 HE1 MET 1 1HE MET 1 -0.070 12.764 8.396 8 HE2 MET 1 2HE MET 1 1.526 13.470 8.158 9 HE3 MET 1 3HE MET 1 0.971 12.185 7.088 10 HA PRO 2 HA PRO 2 -7.031 14.242 9.901 11 HB2 PRO 2 2HB PRO 2 -8.799 12.211 8.681 12 HB3 PRO 2 1HB PRO 2 -9.151 13.890 9.127 13 HG2 PRO 2 2HG PRO 2 -8.900 13.092 6.572 14 HG3 PRO 2 1HG PRO 2 -8.447 14.714 7.121 15 HD2 PRO 2 2HD PRO 2 -6.687 12.401 6.424 16 HD3 PRO 2 1HD PRO 2 -6.395 14.145 6.228 17 H GLU 3 H GLU 3 -7.401 13.085 11.826 18 HA GLU 3 HA GLU 3 -5.821 10.760 12.311 19 HB2 GLU 3 2HB GLU 3 -8.119 11.962 13.873 20 HB3 GLU 3 1HB GLU 3 -7.078 10.673 14.473 21 HG2 GLU 3 2HG GLU 3 -6.108 13.396 13.566 22 HG3 GLU 3 1HG GLU 3 -6.325 12.907 15.242 23 H GLU 4 H GLU 4 -9.166 11.203 11.347 24 HA GLU 4 HA GLU 4 -9.694 8.299 11.647 25 HB2 GLU 4 2HB GLU 4 -11.385 9.986 12.412 26 HB3 GLU 4 1HB GLU 4 -11.563 10.483 10.730 27 HG2 GLU 4 2HG GLU 4 -12.174 8.144 10.130 28 HG3 GLU 4 1HG GLU 4 -12.092 7.714 11.840 29 H ILE 5 H ILE 5 -10.223 6.991 9.853 30 HA ILE 5 HA ILE 5 -9.586 8.193 7.188 31 HB ILE 5 HB ILE 5 -9.296 5.278 7.467 32 HG12 ILE 5 2HG1 ILE 5 -8.500 6.049 9.699 33 HG13 ILE 5 1HG1 ILE 5 -7.224 5.350 8.716 34 HG21 ILE 5 1HG2 ILE 5 -8.593 6.449 5.470 35 HG22 ILE 5 2HG2 ILE 5 -7.173 5.799 6.291 36 HG23 ILE 5 3HG2 ILE 5 -7.559 7.513 6.423 37 HD11 ILE 5 1HD1 ILE 5 -6.126 7.315 8.512 38 HD12 ILE 5 2HD1 ILE 5 -7.033 7.763 9.956 39 HD13 ILE 5 3HD1 ILE 5 -7.614 8.246 8.364 40 HA PRO 6 HA PRO 6 -13.910 6.627 6.917 41 HB2 PRO 6 2HB PRO 6 -14.433 8.776 5.054 42 HB3 PRO 6 1HB PRO 6 -15.084 8.555 6.686 43 HG2 PRO 6 2HG PRO 6 -13.311 10.527 5.917 44 HG3 PRO 6 1HG PRO 6 -13.624 10.008 7.578 45 HD2 PRO 6 2HD PRO 6 -11.299 9.395 5.826 46 HD3 PRO 6 1HD PRO 6 -11.395 9.480 7.599 47 H ASP 7 H ASP 7 -15.136 5.949 4.890 48 HA ASP 7 HA ASP 7 -13.337 4.669 3.044 49 HB2 ASP 7 2HB ASP 7 -15.439 4.019 1.859 50 HB3 ASP 7 1HB ASP 7 -15.483 3.653 3.584 51 H VAL 8 H VAL 8 -12.457 5.491 1.228 52 HA VAL 8 HA VAL 8 -13.858 7.707 -0.183 53 HB VAL 8 HB VAL 8 -12.091 8.673 1.313 54 HG11 VAL 8 1HG1 VAL 8 -9.956 7.894 1.327 55 HG12 VAL 8 2HG1 VAL 8 -9.919 7.702 -0.426 56 HG13 VAL 8 3HG1 VAL 8 -10.648 6.454 0.582 57 HG21 VAL 8 1HG2 VAL 8 -11.626 8.829 -1.683 58 HG22 VAL 8 2HG2 VAL 8 -10.956 9.964 -0.510 59 HG23 VAL 8 3HG2 VAL 8 -12.701 9.854 -0.731 60 H ARG 9 H ARG 9 -13.638 7.588 -2.433 61 HA ARG 9 HA ARG 9 -11.944 5.337 -3.460 62 HB2 ARG 9 2HB ARG 9 -14.414 4.936 -3.625 63 HB3 ARG 9 1HB ARG 9 -14.536 6.369 -4.649 64 HG2 ARG 9 2HG ARG 9 -12.928 5.343 -6.240 65 HG3 ARG 9 1HG ARG 9 -12.885 3.893 -5.235 66 HD2 ARG 9 2HD ARG 9 -15.353 3.659 -5.539 67 HD3 ARG 9 1HD ARG 9 -15.316 5.037 -6.639 68 HE ARG 9 HE ARG 9 -13.497 2.836 -7.342 69 HH11 ARG 9 1HH1 ARG 9 -13.935 1.872 -9.338 70 HH12 ARG 9 2HH1 ARG 9 -15.430 2.217 -10.142 71 HH21 ARG 9 1HH2 ARG 9 -16.576 4.355 -7.665 72 HH22 ARG 9 2HH2 ARG 9 -16.924 3.622 -9.195 73 H LYS 10 H LYS 10 -10.330 6.028 -4.769 74 HA LYS 10 HA LYS 10 -10.786 8.475 -6.416 75 HB2 LYS 10 2HB LYS 10 -8.318 7.877 -4.756 76 HB3 LYS 10 1HB LYS 10 -8.461 9.204 -5.913 77 HG2 LYS 10 2HG LYS 10 -10.418 10.063 -4.619 78 HG3 LYS 10 1HG LYS 10 -10.143 8.797 -3.423 79 HD2 LYS 10 2HD LYS 10 -7.838 9.676 -3.069 80 HD3 LYS 10 1HD LYS 10 -8.196 10.991 -4.190 81 HE2 LYS 10 2HE LYS 10 -10.346 11.045 -2.434 82 HE3 LYS 10 1HE LYS 10 -8.975 10.676 -1.388 83 HZ1 LYS 10 1HZ LYS 10 -9.670 13.138 -2.447 84 HZ2 LYS 10 2HZ LYS 10 -8.258 12.661 -3.263 85 HZ3 LYS 10 3HZ LYS 10 -8.272 12.753 -1.567 86 H SER 11 H SER 11 -9.676 8.458 -8.427 87 HA SER 11 HA SER 11 -8.053 6.038 -9.038 88 HB2 SER 11 2HB SER 11 -9.299 5.622 -11.088 89 HB3 SER 11 1HB SER 11 -10.421 5.609 -9.727 90 HG SER 11 HG SER 11 -11.362 7.312 -10.525 91 H VAL 12 H VAL 12 -6.588 6.351 -10.802 92 HA VAL 12 HA VAL 12 -6.527 8.933 -12.188 93 HB VAL 12 HB VAL 12 -5.132 8.673 -9.745 94 HG11 VAL 12 1HG1 VAL 12 -3.388 7.398 -11.007 95 HG12 VAL 12 2HG1 VAL 12 -2.793 8.940 -10.396 96 HG13 VAL 12 3HG1 VAL 12 -3.214 8.775 -12.099 97 HG21 VAL 12 1HG2 VAL 12 -6.044 10.732 -10.787 98 HG22 VAL 12 2HG2 VAL 12 -4.762 10.670 -11.997 99 HG23 VAL 12 3HG2 VAL 12 -4.360 10.932 -10.300 100 H VAL 13 H VAL 13 -4.922 8.916 -13.938 101 HA VAL 13 HA VAL 13 -4.237 6.135 -14.737 102 HB VAL 13 HB VAL 13 -4.305 8.661 -16.415 103 HG11 VAL 13 1HG1 VAL 13 -4.185 7.114 -18.307 104 HG12 VAL 13 2HG1 VAL 13 -4.181 5.735 -17.208 105 HG13 VAL 13 3HG1 VAL 13 -2.810 6.843 -17.237 106 HG21 VAL 13 1HG2 VAL 13 -6.529 8.360 -16.646 107 HG22 VAL 13 2HG2 VAL 13 -6.446 7.165 -15.351 108 HG23 VAL 13 3HG2 VAL 13 -6.303 6.654 -17.033 109 H VAL 14 H VAL 14 -2.116 5.532 -14.890 110 HA VAL 14 HA VAL 14 -0.050 7.689 -14.756 111 HB VAL 14 HB VAL 14 1.287 6.199 -13.280 112 HG11 VAL 14 1HG1 VAL 14 -0.192 6.467 -11.255 113 HG12 VAL 14 2HG1 VAL 14 -1.494 6.956 -12.341 114 HG13 VAL 14 3HG1 VAL 14 -0.029 7.932 -12.222 115 HG21 VAL 14 1HG2 VAL 14 0.128 4.284 -12.213 116 HG22 VAL 14 2HG2 VAL 14 0.291 4.061 -13.953 117 HG23 VAL 14 3HG2 VAL 14 -1.259 4.553 -13.268 118 H ALA 15 H ALA 15 2.111 6.928 -15.545 119 HA ALA 15 HA ALA 15 1.774 5.336 -17.983 120 HB1 ALA 15 1HB ALA 15 3.280 7.456 -17.574 121 HB2 ALA 15 2HB ALA 15 3.860 6.164 -18.624 122 HB3 ALA 15 3HB ALA 15 4.434 6.271 -16.959 123 H ALA 16 H ALA 16 1.443 3.153 -17.283 124 HA ALA 16 HA ALA 16 3.830 1.661 -16.735 125 HB1 ALA 16 1HB ALA 16 2.901 2.907 -14.459 126 HB2 ALA 16 2HB ALA 16 3.907 1.459 -14.485 127 HB3 ALA 16 3HB ALA 16 2.155 1.314 -14.351 128 H SER 17 H SER 17 3.334 -0.669 -16.318 129 HA SER 17 HA SER 17 0.754 -1.393 -17.594 130 HB2 SER 17 2HB SER 17 1.760 -3.543 -18.043 131 HB3 SER 17 1HB SER 17 2.953 -2.320 -18.473 132 HG SER 17 HG SER 17 2.878 -3.365 -15.864 133 H VAL 18 H VAL 18 -0.611 -3.006 -16.511 134 HA VAL 18 HA VAL 18 -0.815 -2.619 -13.696 135 HB VAL 18 HB VAL 18 -2.453 -4.465 -13.777 136 HG11 VAL 18 1HG1 VAL 18 -4.003 -3.318 -15.144 137 HG12 VAL 18 2HG1 VAL 18 -2.755 -2.808 -16.272 138 HG13 VAL 18 3HG1 VAL 18 -2.848 -2.068 -14.679 139 HG21 VAL 18 1HG2 VAL 18 -2.826 -5.350 -16.214 140 HG22 VAL 18 2HG2 VAL 18 -1.551 -6.073 -15.232 141 HG23 VAL 18 3HG2 VAL 18 -1.146 -4.872 -16.458 142 H GLU 19 H GLU 19 0.647 -5.233 -15.601 143 HA GLU 19 HA GLU 19 1.287 -6.934 -13.401 144 HB2 GLU 19 2HB GLU 19 1.470 -7.576 -15.826 145 HB3 GLU 19 1HB GLU 19 2.899 -6.552 -15.933 146 HG2 GLU 19 2HG GLU 19 3.959 -7.887 -14.118 147 HG3 GLU 19 1HG GLU 19 2.553 -8.953 -14.119 148 H HIS 20 H HIS 20 2.914 -4.158 -14.852 149 HA HIS 20 HA HIS 20 5.328 -4.320 -13.326 150 HB2 HIS 20 2HB HIS 20 5.336 -2.830 -15.192 151 HB3 HIS 20 1HB HIS 20 3.899 -1.985 -14.604 152 HD1 HIS 20 1HD HIS 20 7.587 -2.170 -14.191 153 HD2 HIS 20 2HD HIS 20 4.379 -0.330 -12.247 154 HE1 HIS 20 1HE HIS 20 8.579 -0.503 -12.568 155 HE2 HIS 20 2HE HIS 20 6.643 0.635 -11.402 156 H CYS 21 H CYS 21 2.250 -2.667 -12.770 157 HA CYS 21 HA CYS 21 2.857 -1.220 -10.467 158 HB2 CYS 21 2HB CYS 21 0.322 -2.749 -11.112 159 HB3 CYS 21 1HB CYS 21 0.457 -1.488 -9.893 160 HG CYS 21 HG CYS 21 -0.103 -0.895 -12.699 161 H PHE 22 H PHE 22 1.751 -4.606 -10.659 162 HA PHE 22 HA PHE 22 2.198 -4.893 -7.780 163 HB2 PHE 22 2HB PHE 22 0.803 -6.430 -9.820 164 HB3 PHE 22 1HB PHE 22 1.747 -7.452 -8.725 165 HD1 PHE 22 1HD PHE 22 -0.796 -4.756 -8.866 166 HD2 PHE 22 2HD PHE 22 1.153 -7.697 -6.418 167 HE1 PHE 22 1HE PHE 22 -2.404 -4.300 -7.045 168 HE2 PHE 22 2HE PHE 22 -0.461 -7.256 -4.582 169 HZ PHE 22 HZ PHE 22 -2.244 -5.534 -4.908 170 H GLU 23 H GLU 23 3.910 -5.715 -10.732 171 HA GLU 23 HA GLU 23 5.719 -7.598 -9.597 172 HB2 GLU 23 2HB GLU 23 5.611 -7.108 -12.033 173 HB3 GLU 23 1HB GLU 23 6.304 -5.521 -11.711 174 HG2 GLU 23 2HG GLU 23 8.300 -6.593 -10.721 175 HG3 GLU 23 1HG GLU 23 7.624 -8.177 -11.112 176 H VAL 24 H VAL 24 5.752 -4.053 -9.725 177 HA VAL 24 HA VAL 24 8.283 -3.791 -8.384 178 HB VAL 24 HB VAL 24 5.947 -1.865 -8.639 179 HG11 VAL 24 1HG1 VAL 24 7.257 -1.229 -6.725 180 HG12 VAL 24 2HG1 VAL 24 7.734 -0.178 -8.058 181 HG13 VAL 24 3HG1 VAL 24 8.763 -1.528 -7.589 182 HG21 VAL 24 1HG2 VAL 24 7.761 -0.807 -10.208 183 HG22 VAL 24 2HG2 VAL 24 6.817 -2.174 -10.800 184 HG23 VAL 24 3HG2 VAL 24 8.459 -2.425 -10.208 185 H PHE 25 H PHE 25 4.900 -3.852 -7.290 186 HA PHE 25 HA PHE 25 5.302 -3.222 -4.560 187 HB2 PHE 25 2HB PHE 25 3.374 -5.167 -5.864 188 HB3 PHE 25 1HB PHE 25 3.294 -4.708 -4.174 189 HD1 PHE 25 1HD PHE 25 4.424 -1.907 -6.150 190 HD2 PHE 25 2HD PHE 25 0.910 -4.120 -5.004 191 HE1 PHE 25 1HE PHE 25 3.012 0.027 -6.715 192 HE2 PHE 25 2HE PHE 25 -0.492 -2.171 -5.582 193 HZ PHE 25 HZ PHE 25 0.564 -0.108 -6.429 194 H THR 26 H THR 26 5.458 -6.348 -6.249 195 HA THR 26 HA THR 26 6.306 -7.693 -3.829 196 HB THR 26 HB THR 26 6.482 -9.689 -5.260 197 HG1 THR 26 1HG THR 26 5.396 -8.243 -7.376 198 HG21 THR 26 1HG2 THR 26 4.003 -9.505 -6.110 199 HG22 THR 26 2HG2 THR 26 4.026 -7.974 -5.235 200 HG23 THR 26 3HG2 THR 26 4.342 -9.485 -4.378 201 H SER 27 H SER 27 7.901 -5.722 -5.961 202 HA SER 27 HA SER 27 10.437 -7.259 -5.783 203 HB2 SER 27 2HB SER 27 9.654 -6.159 -7.955 204 HB3 SER 27 1HB SER 27 10.039 -4.625 -7.188 205 HG SER 27 HG SER 27 11.683 -6.166 -8.450 206 H ARG 28 H ARG 28 9.687 -3.753 -5.473 207 HA ARG 28 HA ARG 28 10.728 -3.618 -2.767 208 HB2 ARG 28 2HB ARG 28 12.759 -2.278 -3.366 209 HB3 ARG 28 1HB ARG 28 12.864 -3.972 -3.826 210 HG2 ARG 28 2HG ARG 28 11.666 -2.198 -5.877 211 HG3 ARG 28 1HG ARG 28 13.359 -1.875 -5.526 212 HD2 ARG 28 2HD ARG 28 12.705 -4.736 -5.862 213 HD3 ARG 28 1HD ARG 28 12.484 -3.752 -7.303 214 HE ARG 28 HE ARG 28 15.041 -3.335 -5.923 215 HH11 ARG 28 1HH1 ARG 28 16.862 -3.913 -7.131 216 HH12 ARG 28 2HH1 ARG 28 16.667 -4.848 -8.575 217 HH21 ARG 28 1HH2 ARG 28 13.214 -5.032 -8.305 218 HH22 ARG 28 2HH2 ARG 28 14.601 -5.482 -9.240 219 HA PRO 29 HA PRO 29 8.121 -0.051 -4.440 220 HB2 PRO 29 2HB PRO 29 6.669 0.130 -2.048 221 HB3 PRO 29 1HB PRO 29 6.132 -0.663 -3.538 222 HG2 PRO 29 2HG PRO 29 7.230 -1.839 -1.063 223 HG3 PRO 29 1HG PRO 29 6.077 -2.511 -2.226 224 HD2 PRO 29 2HD PRO 29 8.678 -3.314 -2.079 225 HD3 PRO 29 1HD PRO 29 7.740 -3.365 -3.586 226 H ALA 30 H ALA 30 9.883 -0.564 -1.438 227 HA ALA 30 HA ALA 30 9.859 2.222 -0.622 228 HB1 ALA 30 1HB ALA 30 10.305 0.453 1.019 229 HB2 ALA 30 2HB ALA 30 11.689 1.541 0.917 230 HB3 ALA 30 3HB ALA 30 11.747 -0.032 0.127 231 H ASP 31 H ASP 31 11.926 0.219 -2.626 232 HA ASP 31 HA ASP 31 14.218 1.838 -2.817 233 HB2 ASP 31 2HB ASP 31 13.948 -0.413 -3.869 234 HB3 ASP 31 1HB ASP 31 12.932 0.326 -5.106 235 H TRP 32 H TRP 32 11.031 2.337 -4.238 236 HA TRP 32 HA TRP 32 11.493 4.085 -6.328 237 HB2 TRP 32 2HB TRP 32 9.495 4.389 -4.072 238 HB3 TRP 32 1HB TRP 32 9.496 5.421 -5.493 239 HD1 TRP 32 HD TRP 32 10.038 3.172 -7.705 240 HE1 TRP 32 1HE TRP 32 8.167 1.509 -8.268 241 HE3 TRP 32 3HE TRP 32 7.240 3.536 -3.467 242 HZ2 TRP 32 2HZ TRP 32 5.786 0.467 -7.078 243 HZ3 TRP 32 3HZ TRP 32 5.169 2.207 -3.201 244 HH2 TRP 32 HH TRP 32 4.437 0.672 -4.998 245 H TRP 33 H TRP 33 12.253 4.580 -2.973 246 HA TRP 33 HA TRP 33 13.065 7.395 -3.569 247 HB2 TRP 33 2HB TRP 33 11.770 6.128 -1.294 248 HB3 TRP 33 1HB TRP 33 13.224 6.997 -0.807 249 HD1 TRP 33 HD TRP 33 9.764 7.647 -0.998 250 HE1 TRP 33 1HE TRP 33 9.224 10.119 -1.493 251 HE3 TRP 33 3HE TRP 33 14.315 9.219 -2.700 252 HZ2 TRP 33 2HZ TRP 33 10.549 12.454 -2.480 253 HZ3 TRP 33 3HZ TRP 33 14.648 11.571 -3.409 254 HH2 TRP 33 HH TRP 33 12.772 13.189 -3.302 255 HA PRO 34 HA PRO 34 17.025 5.092 -3.057 256 HB2 PRO 34 2HB PRO 34 18.424 6.460 -4.964 257 HB3 PRO 34 1HB PRO 34 17.392 5.065 -5.329 258 HG2 PRO 34 2HG PRO 34 16.895 7.949 -5.747 259 HG3 PRO 34 1HG PRO 34 16.344 6.554 -6.688 260 HD2 PRO 34 2HD PRO 34 14.791 7.979 -4.857 261 HD3 PRO 34 1HD PRO 34 14.428 6.349 -5.462 262 HA PRO 35 HA PRO 35 19.280 7.745 -0.338 263 HB2 PRO 35 2HB PRO 35 21.605 7.597 -2.213 264 HB3 PRO 35 1HB PRO 35 21.544 7.293 -0.466 265 HG2 PRO 35 2HG PRO 35 21.658 5.314 -2.284 266 HG3 PRO 35 1HG PRO 35 20.833 5.147 -0.727 267 HD2 PRO 35 2HD PRO 35 19.670 5.323 -3.434 268 HD3 PRO 35 1HD PRO 35 18.945 4.713 -1.931 269 H SER 36 H SER 36 19.179 9.951 -0.171 270 HA SER 36 HA SER 36 20.089 11.660 -2.387 271 HB2 SER 36 2HB SER 36 17.993 12.804 -2.700 272 HB3 SER 36 1HB SER 36 17.675 11.082 -2.879 273 HG SER 36 HG SER 36 17.358 11.412 -0.389 274 H HIS 37 H HIS 37 19.792 14.051 -1.688 275 HA HIS 37 HA HIS 37 21.125 14.537 0.732 276 HB2 HIS 37 2HB HIS 37 19.157 16.326 -0.731 277 HB3 HIS 37 1HB HIS 37 20.248 16.870 0.544 278 HD1 HIS 37 1HD HIS 37 20.566 18.071 -2.259 279 HD2 HIS 37 2HD HIS 37 22.632 14.678 -0.985 280 HE1 HIS 37 1HE HIS 37 22.621 17.886 -3.730 281 HE2 HIS 37 2HE HIS 37 23.886 15.825 -2.963 282 H VAL 38 H VAL 38 17.690 14.069 0.135 283 HA VAL 38 HA VAL 38 17.122 14.624 3.008 284 HB VAL 38 HB VAL 38 15.185 14.159 0.719 285 HG11 VAL 38 1HG1 VAL 38 14.891 14.965 3.614 286 HG12 VAL 38 2HG1 VAL 38 14.065 13.669 2.749 287 HG13 VAL 38 3HG1 VAL 38 13.654 15.352 2.419 288 HG21 VAL 38 1HG2 VAL 38 15.826 16.246 0.097 289 HG22 VAL 38 2HG2 VAL 38 16.705 16.513 1.602 290 HG23 VAL 38 3HG2 VAL 38 14.965 16.793 1.535 291 H LEU 39 H LEU 39 16.501 12.978 4.366 292 HA LEU 39 HA LEU 39 16.840 10.230 3.402 293 HB2 LEU 39 2HB LEU 39 16.004 11.213 6.148 294 HB3 LEU 39 1HB LEU 39 16.595 9.600 5.744 295 HG LEU 39 HG LEU 39 18.156 12.191 5.531 296 HD11 LEU 39 1HD1 LEU 39 19.541 11.214 7.289 297 HD12 LEU 39 2HD1 LEU 39 18.570 9.741 7.270 298 HD13 LEU 39 3HD1 LEU 39 17.862 11.258 7.827 299 HD21 LEU 39 1HD2 LEU 39 18.665 9.393 4.562 300 HD22 LEU 39 2HD2 LEU 39 20.025 10.380 5.099 301 HD23 LEU 39 3HD2 LEU 39 19.010 10.926 3.763 302 H VAL 40 H VAL 40 15.187 8.588 3.594 303 HA VAL 40 HA VAL 40 12.672 9.227 2.549 304 HB VAL 40 HB VAL 40 11.925 7.012 3.481 305 HG11 VAL 40 1HG1 VAL 40 12.934 6.211 1.638 306 HG12 VAL 40 2HG1 VAL 40 14.459 6.112 2.518 307 HG13 VAL 40 3HG1 VAL 40 14.040 7.584 1.642 308 HG21 VAL 40 1HG2 VAL 40 14.728 6.891 4.628 309 HG22 VAL 40 2HG2 VAL 40 13.438 5.705 4.824 310 HG23 VAL 40 3HG2 VAL 40 13.311 7.284 5.600 311 H LYS 41 H LYS 41 10.625 9.642 3.481 312 HA LYS 41 HA LYS 41 10.585 11.185 5.874 313 HB2 LYS 41 2HB LYS 41 8.327 9.775 4.440 314 HB3 LYS 41 1HB LYS 41 8.108 10.982 5.704 315 HG2 LYS 41 2HG LYS 41 9.401 12.607 4.315 316 HG3 LYS 41 1HG LYS 41 9.470 11.403 3.029 317 HD2 LYS 41 2HD LYS 41 6.970 11.331 3.024 318 HD3 LYS 41 1HD LYS 41 6.965 12.640 4.206 319 HE2 LYS 41 2HE LYS 41 8.461 13.897 2.492 320 HE3 LYS 41 1HE LYS 41 7.873 12.705 1.334 321 HZ1 LYS 41 1HZ LYS 41 5.682 13.618 2.789 322 HZ2 LYS 41 2HZ LYS 41 6.025 13.878 1.145 323 HZ3 LYS 41 3HZ LYS 41 6.561 14.988 2.314 324 H LYS 42 H LYS 42 9.927 7.761 5.272 325 HA LYS 42 HA LYS 42 9.650 7.382 8.230 326 HB2 LYS 42 2HB LYS 42 7.696 6.712 6.661 327 HB3 LYS 42 1HB LYS 42 8.744 5.377 6.170 328 HG2 LYS 42 2HG LYS 42 8.999 5.236 8.876 329 HG3 LYS 42 1HG LYS 42 7.345 5.831 8.741 330 HD2 LYS 42 2HD LYS 42 6.992 3.537 8.623 331 HD3 LYS 42 1HD LYS 42 7.143 3.933 6.911 332 HE2 LYS 42 2HE LYS 42 9.489 3.282 6.921 333 HE3 LYS 42 1HE LYS 42 9.437 3.004 8.663 334 HZ1 LYS 42 1HZ LYS 42 7.815 1.263 8.315 335 HZ2 LYS 42 2HZ LYS 42 9.215 0.943 7.407 336 HZ3 LYS 42 3HZ LYS 42 7.822 1.544 6.642 337 H GLU 43 H GLU 43 10.838 5.637 9.160 338 HA GLU 43 HA GLU 43 13.411 5.154 8.018 339 HB2 GLU 43 2HB GLU 43 11.920 3.649 10.176 340 HB3 GLU 43 1HB GLU 43 13.638 3.474 9.841 341 HG2 GLU 43 2HG GLU 43 13.945 5.902 10.284 342 HG3 GLU 43 1HG GLU 43 12.236 6.020 10.702 343 H ARG 44 H ARG 44 13.749 3.946 6.208 344 HA ARG 44 HA ARG 44 12.184 1.408 5.909 345 HB2 ARG 44 2HB ARG 44 13.162 3.271 3.722 346 HB3 ARG 44 1HB ARG 44 12.391 1.709 3.449 347 HG2 ARG 44 2HG ARG 44 10.413 2.582 4.792 348 HG3 ARG 44 1HG ARG 44 11.168 4.173 4.717 349 HD2 ARG 44 2HD ARG 44 11.244 3.901 2.199 350 HD3 ARG 44 1HD ARG 44 10.232 2.470 2.401 351 HE ARG 44 HE ARG 44 8.770 4.326 3.735 352 HH11 ARG 44 1HH1 ARG 44 7.343 5.807 2.802 353 HH12 ARG 44 2HH1 ARG 44 7.593 6.320 1.166 354 HH21 ARG 44 1HH2 ARG 44 10.427 4.376 0.711 355 HH22 ARG 44 2HH2 ARG 44 9.340 5.511 -0.016 356 H ALA 45 H ALA 45 13.413 -0.425 5.386 357 HA ALA 45 HA ALA 45 16.335 0.005 4.933 358 HB1 ALA 45 1HB ALA 45 16.705 -0.727 7.037 359 HB2 ALA 45 2HB ALA 45 16.204 -2.313 6.453 360 HB3 ALA 45 3HB ALA 45 15.032 -1.249 7.230 361 H GLY 46 H GLY 46 13.714 -2.420 4.951 362 HA2 GLY 46 2HA GLY 46 14.543 -3.373 2.304 363 HA3 GLY 46 1HA GLY 46 14.833 -4.530 3.600 364 H LEU 47 H LEU 47 13.073 -5.366 1.721 365 HA LEU 47 HA LEU 47 10.544 -5.356 3.245 366 HB2 LEU 47 2HB LEU 47 10.360 -4.940 0.275 367 HB3 LEU 47 1HB LEU 47 9.148 -4.635 1.517 368 HG LEU 47 HG LEU 47 10.745 -2.811 2.385 369 HD11 LEU 47 1HD1 LEU 47 11.845 -2.285 -0.225 370 HD12 LEU 47 2HD1 LEU 47 12.358 -3.883 0.308 371 HD13 LEU 47 3HD1 LEU 47 12.697 -2.470 1.306 372 HD21 LEU 47 1HD2 LEU 47 9.072 -1.647 1.429 373 HD22 LEU 47 2HD2 LEU 47 8.885 -2.848 0.153 374 HD23 LEU 47 3HD2 LEU 47 10.074 -1.565 -0.016 375 H ALA 48 H ALA 48 9.652 -7.350 3.263 376 HA ALA 48 HA ALA 48 10.712 -9.344 1.313 377 HB1 ALA 48 1HB ALA 48 9.063 -10.462 3.429 378 HB2 ALA 48 2HB ALA 48 10.369 -9.488 4.105 379 HB3 ALA 48 3HB ALA 48 10.739 -10.829 3.022 380 H PHE 49 H PHE 49 9.285 -10.141 -0.187 381 HA PHE 49 HA PHE 49 6.380 -9.519 0.203 382 HB2 PHE 49 2HB PHE 49 8.253 -8.789 -1.960 383 HB3 PHE 49 1HB PHE 49 6.701 -9.431 -2.486 384 HD1 PHE 49 1HD PHE 49 4.595 -8.286 -1.877 385 HD2 PHE 49 2HD PHE 49 8.433 -6.636 -0.887 386 HE1 PHE 49 1HE PHE 49 3.553 -6.059 -1.550 387 HE2 PHE 49 2HE PHE 49 7.388 -4.414 -0.549 388 HZ PHE 49 HZ PHE 49 4.953 -4.124 -0.904 389 H GLU 50 H GLU 50 5.023 -11.235 -0.266 390 HA GLU 50 HA GLU 50 6.187 -13.450 -1.916 391 HB2 GLU 50 2HB GLU 50 6.340 -14.241 0.343 392 HB3 GLU 50 1HB GLU 50 4.718 -13.681 0.716 393 HG2 GLU 50 2HG GLU 50 3.772 -15.323 -0.851 394 HG3 GLU 50 1HG GLU 50 5.386 -15.833 -1.285 395 HA PRO 51 HA PRO 51 2.156 -12.702 -3.825 396 HB2 PRO 51 2HB PRO 51 2.308 -14.366 -5.919 397 HB3 PRO 51 1HB PRO 51 3.324 -12.915 -5.809 398 HG2 PRO 51 2HG PRO 51 4.033 -15.761 -5.307 399 HG3 PRO 51 1HG PRO 51 4.984 -14.479 -6.074 400 HD2 PRO 51 2HD PRO 51 5.265 -15.303 -3.426 401 HD3 PRO 51 1HD PRO 51 5.832 -13.755 -4.082 402 H PHE 52 H PHE 52 0.124 -13.557 -3.429 403 HA PHE 52 HA PHE 52 -0.700 -16.243 -3.631 404 HB2 PHE 52 2HB PHE 52 -0.832 -16.655 -1.039 405 HB3 PHE 52 1HB PHE 52 0.652 -17.037 -1.904 406 HD1 PHE 52 1HD PHE 52 1.652 -16.864 0.472 407 HD2 PHE 52 2HD PHE 52 0.045 -13.452 -1.600 408 HE1 PHE 52 1HE PHE 52 2.938 -15.325 1.937 409 HE2 PHE 52 2HE PHE 52 1.356 -11.961 -0.198 410 HZ PHE 52 HZ PHE 52 2.797 -12.870 1.585 411 H VAL 53 H VAL 53 -2.629 -16.635 -1.926 412 HA VAL 53 HA VAL 53 -4.360 -14.224 -2.050 413 HB VAL 53 HB VAL 53 -5.045 -17.114 -1.477 414 HG11 VAL 53 1HG1 VAL 53 -6.520 -14.927 -0.816 415 HG12 VAL 53 2HG1 VAL 53 -7.220 -16.488 -1.232 416 HG13 VAL 53 3HG1 VAL 53 -7.092 -15.227 -2.457 417 HG21 VAL 53 1HG2 VAL 53 -6.191 -16.451 -3.888 418 HG22 VAL 53 2HG2 VAL 53 -4.681 -17.345 -3.706 419 HG23 VAL 53 3HG2 VAL 53 -4.647 -15.601 -3.964 420 H GLY 54 H GLY 54 -5.182 -13.339 -0.047 421 HA2 GLY 54 2HA GLY 54 -5.169 -13.000 2.310 422 HA3 GLY 54 1HA GLY 54 -4.897 -14.749 2.479 423 H GLY 55 H GLY 55 -3.067 -12.716 0.448 424 HA2 GLY 55 2HA GLY 55 -0.549 -13.650 1.351 425 HA3 GLY 55 1HA GLY 55 -0.849 -12.358 0.201 426 H ARG 56 H ARG 56 1.311 -11.963 1.614 427 HA ARG 56 HA ARG 56 0.522 -9.761 3.434 428 HB2 ARG 56 2HB ARG 56 2.365 -12.037 4.210 429 HB3 ARG 56 1HB ARG 56 2.176 -10.551 5.139 430 HG2 ARG 56 2HG ARG 56 -0.263 -11.023 5.341 431 HG3 ARG 56 1HG ARG 56 -0.011 -12.553 4.501 432 HD2 ARG 56 2HD ARG 56 1.276 -11.742 7.124 433 HD3 ARG 56 1HD ARG 56 -0.030 -12.911 6.932 434 HE ARG 56 HE ARG 56 2.787 -13.408 6.423 435 HH11 ARG 56 1HH1 ARG 56 3.303 -15.473 5.658 436 HH12 ARG 56 2HH1 ARG 56 2.049 -16.483 5.021 437 HH21 ARG 56 1HH2 ARG 56 -0.464 -14.152 5.548 438 HH22 ARG 56 2HH2 ARG 56 -0.083 -15.736 4.958 439 H TYR 57 H TYR 57 2.065 -8.145 3.650 440 HA TYR 57 HA TYR 57 4.496 -8.347 1.918 441 HB2 TYR 57 2HB TYR 57 2.993 -5.808 2.580 442 HB3 TYR 57 1HB TYR 57 4.304 -5.998 1.422 443 HD1 TYR 57 1HD TYR 57 3.408 -8.554 0.037 444 HD2 TYR 57 2HD TYR 57 1.234 -5.046 1.252 445 HE1 TYR 57 1HE TYR 57 1.746 -8.972 -1.734 446 HE2 TYR 57 2HE TYR 57 -0.426 -5.464 -0.534 447 HH TYR 57 HH TYR 57 0.086 -7.839 -3.003 448 H TYR 58 H TYR 58 6.406 -7.564 2.840 449 HA TYR 58 HA TYR 58 6.224 -6.853 5.742 450 HB2 TYR 58 2HB TYR 58 8.319 -8.496 4.305 451 HB3 TYR 58 1HB TYR 58 8.298 -8.141 6.031 452 HD1 TYR 58 1HD TYR 58 7.256 -9.653 7.480 453 HD2 TYR 58 2HD TYR 58 6.097 -9.582 3.343 454 HE1 TYR 58 1HE TYR 58 5.744 -11.582 7.858 455 HE2 TYR 58 2HE TYR 58 4.584 -11.484 3.723 456 HH TYR 58 HH TYR 58 4.470 -13.428 5.407 457 H GLU 59 H GLU 59 7.570 -5.231 6.496 458 HA GLU 59 HA GLU 59 9.417 -3.937 4.536 459 HB2 GLU 59 2HB GLU 59 7.371 -2.562 4.768 460 HB3 GLU 59 1HB GLU 59 7.633 -2.483 6.511 461 HG2 GLU 59 2HG GLU 59 9.845 -1.420 6.087 462 HG3 GLU 59 1HG GLU 59 9.496 -1.438 4.357 463 H TRP 60 H TRP 60 11.361 -3.217 5.428 464 HA TRP 60 HA TRP 60 11.874 -4.115 8.231 465 HB2 TRP 60 2HB TRP 60 13.407 -4.094 5.735 466 HB3 TRP 60 1HB TRP 60 14.305 -3.410 7.087 467 HD1 TRP 60 HD TRP 60 13.997 -5.073 9.443 468 HE1 TRP 60 1HE TRP 60 14.384 -7.628 9.496 469 HE3 TRP 60 3HE TRP 60 13.492 -6.144 4.482 470 HZ2 TRP 60 2HZ TRP 60 14.436 -9.831 7.662 471 HZ3 TRP 60 3HZ TRP 60 13.710 -8.462 3.656 472 HH2 TRP 60 HH TRP 60 14.186 -10.303 5.230 473 H ASP 61 H ASP 61 12.255 -2.532 9.770 474 HA ASP 61 HA ASP 61 12.708 0.238 8.707 475 HB2 ASP 61 2HB ASP 61 12.280 0.256 11.529 476 HB3 ASP 61 1HB ASP 61 11.272 0.949 10.266 477 H ILE 62 H ILE 62 14.508 1.323 9.203 478 HA ILE 62 HA ILE 62 16.902 0.020 9.677 479 HB ILE 62 HB ILE 62 16.134 2.846 10.359 480 HG12 ILE 62 2HG1 ILE 62 17.679 2.861 8.070 481 HG13 ILE 62 1HG1 ILE 62 16.713 1.403 7.866 482 HG21 ILE 62 1HG2 ILE 62 18.772 2.856 9.691 483 HG22 ILE 62 2HG2 ILE 62 18.621 1.325 10.552 484 HG23 ILE 62 3HG2 ILE 62 18.158 2.830 11.343 485 HD11 ILE 62 1HD1 ILE 62 14.667 2.614 8.025 486 HD12 ILE 62 2HD1 ILE 62 15.689 3.557 6.947 487 HD13 ILE 62 3HD1 ILE 62 15.478 4.062 8.621 488 H ASP 63 H ASP 63 14.791 1.603 12.041 489 HA ASP 63 HA ASP 63 16.477 0.440 14.216 490 HB2 ASP 63 2HB ASP 63 14.350 2.607 14.270 491 HB3 ASP 63 1HB ASP 63 15.178 1.989 15.700 492 H GLY 64 H GLY 64 13.746 -0.123 12.402 493 HA2 GLY 64 2HA GLY 64 12.456 -1.662 14.599 494 HA3 GLY 64 1HA GLY 64 11.581 -1.028 13.216 495 H THR 65 H THR 65 12.115 -3.748 14.368 496 HA THR 65 HA THR 65 13.610 -5.349 12.550 497 HB THR 65 HB THR 65 11.192 -6.186 14.159 498 HG1 THR 65 1HG THR 65 13.719 -5.356 14.916 499 HG21 THR 65 1HG2 THR 65 13.500 -7.572 12.868 500 HG22 THR 65 2HG2 THR 65 11.817 -8.078 13.005 501 HG23 THR 65 3HG2 THR 65 12.893 -8.214 14.392 502 H GLU 66 H GLU 66 12.225 -7.239 11.391 503 HA GLU 66 HA GLU 66 10.733 -5.933 9.254 504 HB2 GLU 66 2HB GLU 66 12.170 -8.045 9.023 505 HB3 GLU 66 1HB GLU 66 10.864 -8.902 9.814 506 HG2 GLU 66 2HG GLU 66 9.319 -7.981 8.058 507 HG3 GLU 66 1HG GLU 66 10.745 -7.387 7.211 508 H ILE 67 H ILE 67 8.472 -6.053 8.934 509 HA ILE 67 HA ILE 67 6.850 -7.609 10.845 510 HB ILE 67 HB ILE 67 5.500 -5.558 11.437 511 HG12 ILE 67 2HG1 ILE 67 7.936 -4.013 10.603 512 HG13 ILE 67 1HG1 ILE 67 6.626 -4.301 9.457 513 HG21 ILE 67 1HG2 ILE 67 6.983 -4.922 13.220 514 HG22 ILE 67 2HG2 ILE 67 8.399 -5.422 12.294 515 HG23 ILE 67 3HG2 ILE 67 7.268 -6.633 12.899 516 HD11 ILE 67 1HD1 ILE 67 6.391 -2.949 12.160 517 HD12 ILE 67 2HD1 ILE 67 5.027 -3.328 11.107 518 HD13 ILE 67 3HD1 ILE 67 6.250 -2.169 10.585 519 H VAL 68 H VAL 68 4.471 -7.419 10.325 520 HA VAL 68 HA VAL 68 4.125 -7.192 7.364 521 HB VAL 68 HB VAL 68 2.316 -8.498 9.425 522 HG11 VAL 68 1HG1 VAL 68 1.232 -9.491 7.460 523 HG12 VAL 68 2HG1 VAL 68 2.367 -8.659 6.396 524 HG13 VAL 68 3HG1 VAL 68 1.203 -7.732 7.342 525 HG21 VAL 68 1HG2 VAL 68 3.666 -10.296 9.343 526 HG22 VAL 68 2HG2 VAL 68 4.802 -9.373 8.360 527 HG23 VAL 68 3HG2 VAL 68 3.538 -10.329 7.585 528 H TRP 69 H TRP 69 3.055 -5.393 6.648 529 HA TRP 69 HA TRP 69 1.357 -3.937 8.647 530 HB2 TRP 69 2HB TRP 69 1.799 -2.138 6.626 531 HB3 TRP 69 1HB TRP 69 2.738 -2.242 8.116 532 HD1 TRP 69 HD TRP 69 5.089 -3.416 8.027 533 HE1 TRP 69 1HE TRP 69 6.671 -3.947 6.070 534 HE3 TRP 69 3HE TRP 69 1.870 -2.862 4.112 535 HZ2 TRP 69 2HZ TRP 69 6.590 -4.106 3.217 536 HZ3 TRP 69 3HZ TRP 69 2.648 -3.202 1.786 537 HH2 TRP 69 HH TRP 69 5.003 -3.824 1.338 538 H GLY 70 H GLY 70 0.912 -5.982 6.086 539 HA2 GLY 70 2HA GLY 70 -1.785 -4.902 5.656 540 HA3 GLY 70 1HA GLY 70 -0.746 -4.839 4.236 541 H ARG 71 H ARG 71 -2.669 -6.262 3.567 542 HA ARG 71 HA ARG 71 -1.783 -9.061 3.696 543 HB2 ARG 71 2HB ARG 71 -3.841 -8.234 5.378 544 HB3 ARG 71 1HB ARG 71 -4.689 -8.885 3.977 545 HG2 ARG 71 2HG ARG 71 -3.271 -10.940 4.134 546 HG3 ARG 71 1HG ARG 71 -2.609 -10.314 5.642 547 HD2 ARG 71 2HD ARG 71 -4.399 -11.760 6.278 548 HD3 ARG 71 1HD ARG 71 -5.033 -10.124 6.451 549 HE ARG 71 HE ARG 71 -5.594 -11.122 3.815 550 HH11 ARG 71 1HH1 ARG 71 -7.720 -11.752 3.376 551 HH12 ARG 71 2HH1 ARG 71 -8.799 -12.083 4.691 552 HH21 ARG 71 1HH2 ARG 71 -6.447 -11.398 7.144 553 HH22 ARG 71 2HH2 ARG 71 -8.079 -11.882 6.823 554 H ILE 72 H ILE 72 -3.552 -10.294 2.243 555 HA ILE 72 HA ILE 72 -4.252 -8.579 -0.078 556 HB ILE 72 HB ILE 72 -2.688 -11.141 -0.107 557 HG12 ILE 72 2HG1 ILE 72 -2.257 -8.666 -1.753 558 HG13 ILE 72 1HG1 ILE 72 -1.654 -8.782 -0.103 559 HG21 ILE 72 1HG2 ILE 72 -4.343 -9.935 -2.309 560 HG22 ILE 72 2HG2 ILE 72 -4.413 -11.586 -1.686 561 HG23 ILE 72 3HG2 ILE 72 -3.015 -11.050 -2.617 562 HD11 ILE 72 1HD1 ILE 72 0.031 -10.176 -0.701 563 HD12 ILE 72 2HD1 ILE 72 -0.328 -9.703 -2.362 564 HD13 ILE 72 3HD1 ILE 72 -1.044 -11.162 -1.693 565 H LEU 73 H LEU 73 -5.963 -9.718 -1.481 566 HA LEU 73 HA LEU 73 -7.646 -11.508 0.223 567 HB2 LEU 73 2HB LEU 73 -8.334 -9.336 -1.731 568 HB3 LEU 73 1HB LEU 73 -9.481 -10.637 -1.430 569 HG LEU 73 HG LEU 73 -8.213 -9.240 0.902 570 HD11 LEU 73 1HD1 LEU 73 -9.097 -7.488 -0.671 571 HD12 LEU 73 2HD1 LEU 73 -9.912 -7.523 0.891 572 HD13 LEU 73 3HD1 LEU 73 -10.686 -8.234 -0.526 573 HD21 LEU 73 1HD2 LEU 73 -9.570 -11.174 1.402 574 HD22 LEU 73 2HD2 LEU 73 -10.868 -10.604 0.353 575 HD23 LEU 73 3HD2 LEU 73 -10.509 -9.752 1.852 576 H GLU 74 H GLU 74 -6.673 -10.803 -3.107 577 HA GLU 74 HA GLU 74 -6.219 -13.520 -3.844 578 HB2 GLU 74 2HB GLU 74 -8.742 -13.600 -3.636 579 HB3 GLU 74 1HB GLU 74 -8.832 -12.379 -4.906 580 HG2 GLU 74 2HG GLU 74 -7.582 -13.905 -6.422 581 HG3 GLU 74 1HG GLU 74 -7.591 -15.134 -5.158 582 H TRP 75 H TRP 75 -5.567 -13.607 -6.153 583 HA TRP 75 HA TRP 75 -4.994 -10.877 -7.215 584 HB2 TRP 75 2HB TRP 75 -3.119 -11.902 -8.408 585 HB3 TRP 75 1HB TRP 75 -3.018 -12.284 -6.687 586 HD1 TRP 75 HD TRP 75 -3.695 -14.767 -5.932 587 HE1 TRP 75 1HE TRP 75 -3.704 -16.992 -7.235 588 HE3 TRP 75 3HE TRP 75 -3.490 -12.989 -10.715 589 HZ2 TRP 75 2HZ TRP 75 -3.634 -17.898 -9.947 590 HZ3 TRP 75 3HZ TRP 75 -3.462 -14.553 -12.638 591 HH2 TRP 75 HH TRP 75 -3.533 -17.003 -12.260 592 H ASP 76 H ASP 76 -5.930 -10.283 -9.113 593 HA ASP 76 HA ASP 76 -7.259 -12.414 -10.724 594 HB2 ASP 76 2HB ASP 76 -8.284 -9.997 -9.677 595 HB3 ASP 76 1HB ASP 76 -8.140 -9.757 -11.419 596 HA PRO 77 HA PRO 77 -3.981 -11.963 -13.763 597 HB2 PRO 77 2HB PRO 77 -6.421 -11.951 -15.531 598 HB3 PRO 77 1HB PRO 77 -4.864 -12.768 -15.783 599 HG2 PRO 77 2HG PRO 77 -6.989 -14.069 -14.821 600 HG3 PRO 77 1HG PRO 77 -5.340 -14.441 -14.293 601 HD2 PRO 77 2HD PRO 77 -7.525 -13.191 -12.777 602 HD3 PRO 77 1HD PRO 77 -6.007 -13.891 -12.172 603 HA PRO 78 HA PRO 78 -3.162 -7.734 -14.688 604 HB2 PRO 78 2HB PRO 78 -3.491 -8.583 -17.552 605 HB3 PRO 78 1HB PRO 78 -2.231 -7.573 -16.819 606 HG2 PRO 78 2HG PRO 78 -1.917 -10.222 -17.362 607 HG3 PRO 78 1HG PRO 78 -1.036 -9.360 -16.092 608 HD2 PRO 78 2HD PRO 78 -3.016 -11.454 -15.780 609 HD3 PRO 78 1HD PRO 78 -2.068 -10.643 -14.517 610 H HIS 79 H HIS 79 -5.388 -7.291 -13.811 611 HA HIS 79 HA HIS 79 -6.887 -5.624 -15.544 612 HB2 HIS 79 2HB HIS 79 -7.508 -8.108 -16.267 613 HB3 HIS 79 1HB HIS 79 -8.556 -8.009 -14.848 614 HD1 HIS 79 1HD HIS 79 -9.277 -4.997 -15.030 615 HD2 HIS 79 2HD HIS 79 -9.427 -7.625 -18.264 616 HE1 HIS 79 1HE HIS 79 -10.859 -3.965 -16.713 617 HE2 HIS 79 2HE HIS 79 -10.972 -5.564 -18.684 618 H ARG 80 H ARG 80 -7.035 -7.765 -12.663 619 HA ARG 80 HA ARG 80 -7.885 -5.415 -11.120 620 HB2 ARG 80 2HB ARG 80 -10.048 -6.143 -11.887 621 HB3 ARG 80 1HB ARG 80 -9.697 -7.814 -11.434 622 HG2 ARG 80 2HG ARG 80 -9.759 -7.322 -9.122 623 HG3 ARG 80 1HG ARG 80 -9.612 -5.585 -9.402 624 HD2 ARG 80 2HD ARG 80 -11.906 -6.021 -8.839 625 HD3 ARG 80 1HD ARG 80 -11.851 -5.676 -10.565 626 HE ARG 80 HE ARG 80 -11.676 -8.528 -9.872 627 HH11 ARG 80 1HH1 ARG 80 -13.387 -9.782 -10.652 628 HH12 ARG 80 2HH1 ARG 80 -14.803 -9.001 -11.274 629 HH21 ARG 80 1HH2 ARG 80 -13.609 -5.796 -10.701 630 HH22 ARG 80 2HH2 ARG 80 -14.928 -6.745 -11.302 631 H LEU 81 H LEU 81 -7.704 -5.672 -8.875 632 HA LEU 81 HA LEU 81 -6.666 -8.243 -7.840 633 HB2 LEU 81 2HB LEU 81 -5.183 -5.621 -7.857 634 HB3 LEU 81 1HB LEU 81 -4.873 -6.821 -6.605 635 HG LEU 81 HG LEU 81 -4.857 -8.170 -9.128 636 HD11 LEU 81 1HD1 LEU 81 -3.259 -5.608 -9.037 637 HD12 LEU 81 2HD1 LEU 81 -4.382 -6.144 -10.288 638 HD13 LEU 81 3HD1 LEU 81 -2.835 -6.962 -10.084 639 HD21 LEU 81 1HD2 LEU 81 -2.639 -8.803 -8.426 640 HD22 LEU 81 2HD2 LEU 81 -3.640 -8.711 -6.977 641 HD23 LEU 81 3HD2 LEU 81 -2.522 -7.403 -7.361 642 H ALA 82 H ALA 82 -7.066 -8.475 -5.598 643 HA ALA 82 HA ALA 82 -8.539 -6.215 -4.290 644 HB1 ALA 82 1HB ALA 82 -9.914 -7.994 -3.141 645 HB2 ALA 82 2HB ALA 82 -9.182 -9.184 -4.218 646 HB3 ALA 82 3HB ALA 82 -10.196 -7.902 -4.880 647 H MET 83 H MET 83 -8.050 -6.043 -1.950 648 HA MET 83 HA MET 83 -6.131 -8.046 -0.975 649 HB2 MET 83 2HB MET 83 -4.740 -5.866 -0.214 650 HB3 MET 83 1HB MET 83 -4.406 -6.763 -1.696 651 HG2 MET 83 2HG MET 83 -5.847 -5.246 -2.972 652 HG3 MET 83 1HG MET 83 -6.265 -4.374 -1.497 653 HE1 MET 83 1HE MET 83 -5.863 -2.738 -3.185 654 HE2 MET 83 2HE MET 83 -4.323 -2.199 -3.849 655 HE3 MET 83 3HE MET 83 -4.827 -1.650 -2.252 656 H THR 84 H THR 84 -6.001 -8.275 1.232 657 HA THR 84 HA THR 84 -7.864 -6.546 2.815 658 HB THR 84 HB THR 84 -6.795 -9.348 3.220 659 HG1 THR 84 1HG THR 84 -8.775 -9.799 2.758 660 HG21 THR 84 1HG2 THR 84 -6.445 -8.512 5.379 661 HG22 THR 84 2HG2 THR 84 -8.101 -9.109 5.473 662 HG23 THR 84 3HG2 THR 84 -7.795 -7.385 5.265 663 H TRP 85 H TRP 85 -6.982 -5.765 4.929 664 HA TRP 85 HA TRP 85 -4.016 -5.415 4.736 665 HB2 TRP 85 2HB TRP 85 -5.802 -3.453 4.709 666 HB3 TRP 85 1HB TRP 85 -5.724 -3.670 6.459 667 HD1 TRP 85 HD TRP 85 -3.887 -2.360 7.615 668 HE1 TRP 85 1HE TRP 85 -1.649 -1.292 6.906 669 HE3 TRP 85 3HE TRP 85 -3.696 -3.867 2.740 670 HZ2 TRP 85 2HZ TRP 85 0.002 -1.102 4.578 671 HZ3 TRP 85 3HZ TRP 85 -1.782 -3.230 1.301 672 HH2 TRP 85 HH TRP 85 0.066 -1.851 2.213 673 H ARG 86 H ARG 86 -2.784 -6.381 6.285 674 HA ARG 86 HA ARG 86 -4.124 -7.140 8.860 675 HB2 ARG 86 2HB ARG 86 -3.300 -9.045 7.427 676 HB3 ARG 86 1HB ARG 86 -1.668 -8.408 7.612 677 HG2 ARG 86 2HG ARG 86 -1.886 -8.616 10.075 678 HG3 ARG 86 1HG ARG 86 -3.494 -9.307 9.860 679 HD2 ARG 86 2HD ARG 86 -2.459 -11.110 8.449 680 HD3 ARG 86 1HD ARG 86 -0.874 -10.466 8.873 681 HE ARG 86 HE ARG 86 -2.385 -10.979 11.261 682 HH11 ARG 86 1HH1 ARG 86 -1.850 -12.821 12.461 683 HH12 ARG 86 2HH1 ARG 86 -0.933 -14.087 11.716 684 HH21 ARG 86 1HH2 ARG 86 -0.704 -12.480 8.653 685 HH22 ARG 86 2HH2 ARG 86 -0.285 -13.894 9.560 686 H ILE 87 H ILE 87 -3.591 -5.296 10.086 687 HA ILE 87 HA ILE 87 -0.707 -5.001 10.708 688 HB ILE 87 HB ILE 87 -1.371 -3.361 8.874 689 HG12 ILE 87 2HG1 ILE 87 -0.569 -1.998 11.451 690 HG13 ILE 87 1HG1 ILE 87 0.524 -3.091 10.599 691 HG21 ILE 87 1HG2 ILE 87 -2.782 -1.515 9.433 692 HG22 ILE 87 2HG2 ILE 87 -2.806 -1.962 11.139 693 HG23 ILE 87 3HG2 ILE 87 -3.652 -2.958 9.955 694 HD11 ILE 87 1HD1 ILE 87 -0.836 -0.829 9.146 695 HD12 ILE 87 2HD1 ILE 87 0.621 -1.706 8.695 696 HD13 ILE 87 3HD1 ILE 87 0.663 -0.562 10.034 697 H ASP 88 H ASP 88 -0.354 -3.808 12.732 698 HA ASP 88 HA ASP 88 -2.742 -3.950 14.516 699 HB2 ASP 88 2HB ASP 88 -0.902 -5.406 15.205 700 HB3 ASP 88 1HB ASP 88 0.193 -4.027 15.224 701 H GLY 89 H GLY 89 -2.475 -2.342 16.430 702 HA2 GLY 89 2HA GLY 89 -2.695 0.299 15.407 703 HA3 GLY 89 1HA GLY 89 -2.511 -0.100 17.114 704 H HIS 90 H HIS 90 0.095 -1.374 16.843 705 HA HIS 90 HA HIS 90 1.719 1.085 16.342 706 HB2 HIS 90 2HB HIS 90 1.538 -0.507 18.620 707 HB3 HIS 90 1HB HIS 90 3.057 -0.998 17.879 708 HD1 HIS 90 1HD HIS 90 2.270 1.112 20.412 709 HD2 HIS 90 2HD HIS 90 4.112 1.882 16.747 710 HE1 HIS 90 1HE HIS 90 3.565 3.272 20.700 711 HE2 HIS 90 2HE HIS 90 4.691 3.749 18.477 712 H TRP 91 H TRP 91 1.106 -0.546 14.123 713 HA TRP 91 HA TRP 91 2.161 -1.663 12.352 714 HB2 TRP 91 2HB TRP 91 4.480 -0.323 13.744 715 HB3 TRP 91 1HB TRP 91 4.710 -1.297 12.295 716 HD1 TRP 91 HD TRP 91 2.935 -0.575 10.212 717 HE1 TRP 91 1HE TRP 91 2.403 1.813 9.409 718 HE3 TRP 91 3HE TRP 91 4.345 2.082 14.324 719 HZ2 TRP 91 2HZ TRP 91 2.572 4.490 10.390 720 HZ3 TRP 91 3HZ TRP 91 4.159 4.546 14.370 721 HH2 TRP 91 HH TRP 91 3.270 5.761 12.400 722 H GLN 92 H GLN 92 1.655 -3.190 14.815 723 HA GLN 92 HA GLN 92 3.953 -5.098 14.758 724 HB2 GLN 92 2HB GLN 92 1.678 -4.851 16.751 725 HB3 GLN 92 1HB GLN 92 3.007 -6.007 16.851 726 HG2 GLN 92 2HG GLN 92 4.625 -4.145 16.961 727 HG3 GLN 92 1HG GLN 92 3.295 -2.994 16.860 728 HE21 GLN 92 1HE2 GLN 92 5.021 -3.015 19.134 729 HE22 GLN 92 2HE2 GLN 92 4.133 -3.543 20.481 730 H SER 93 H SER 93 3.469 -7.370 14.509 731 HA SER 93 HA SER 93 1.002 -7.815 12.908 732 HB2 SER 93 2HB SER 93 3.158 -8.425 11.862 733 HB3 SER 93 1HB SER 93 3.493 -9.526 13.199 734 HG SER 93 HG SER 93 2.094 -10.908 12.408 735 H VAL 94 H VAL 94 -0.532 -9.298 13.542 736 HA VAL 94 HA VAL 94 -0.004 -10.884 16.014 737 HB VAL 94 HB VAL 94 -2.641 -10.291 16.308 738 HG11 VAL 94 1HG1 VAL 94 -1.296 -9.987 18.184 739 HG12 VAL 94 2HG1 VAL 94 -1.680 -8.315 17.777 740 HG13 VAL 94 3HG1 VAL 94 -0.124 -9.002 17.310 741 HG21 VAL 94 1HG2 VAL 94 -1.480 -7.652 15.447 742 HG22 VAL 94 2HG2 VAL 94 -3.173 -8.117 15.618 743 HG23 VAL 94 3HG2 VAL 94 -2.229 -8.709 14.251 744 HA PRO 95 HA PRO 95 -1.654 -14.399 13.964 745 HB2 PRO 95 2HB PRO 95 -3.745 -15.041 15.790 746 HB3 PRO 95 1HB PRO 95 -2.107 -15.712 15.758 747 HG2 PRO 95 2HG PRO 95 -3.244 -13.608 17.471 748 HG3 PRO 95 1HG PRO 95 -1.885 -14.702 17.770 749 HD2 PRO 95 2HD PRO 95 -1.535 -12.056 17.240 750 HD3 PRO 95 1HD PRO 95 -0.348 -13.290 16.757 751 H ASP 96 H ASP 96 -3.975 -11.997 15.099 752 HA ASP 96 HA ASP 96 -5.372 -12.126 12.529 753 HB2 ASP 96 2HB ASP 96 -6.405 -13.897 14.145 754 HB3 ASP 96 1HB ASP 96 -7.075 -12.488 14.969 755 H ASP 97 H ASP 97 -6.566 -10.203 12.159 756 HA ASP 97 HA ASP 97 -6.076 -8.076 14.182 757 HB2 ASP 97 2HB ASP 97 -6.515 -7.987 11.194 758 HB3 ASP 97 1HB ASP 97 -6.536 -6.548 12.211 759 H ASP 98 H ASP 98 -7.823 -7.548 15.374 760 HA ASP 98 HA ASP 98 -10.519 -8.290 14.583 761 HB2 ASP 98 2HB ASP 98 -9.459 -6.565 16.830 762 HB3 ASP 98 1HB ASP 98 -11.153 -7.015 16.644 763 H ARG 99 H ARG 99 -8.449 -5.569 14.192 764 HA ARG 99 HA ARG 99 -10.707 -3.852 13.321 765 HB2 ARG 99 2HB ARG 99 -8.841 -2.074 13.329 766 HB3 ARG 99 1HB ARG 99 -9.380 -2.677 14.895 767 HG2 ARG 99 2HG ARG 99 -7.490 -4.293 14.895 768 HG3 ARG 99 1HG ARG 99 -6.935 -3.619 13.363 769 HD2 ARG 99 2HD ARG 99 -5.652 -2.542 15.073 770 HD3 ARG 99 1HD ARG 99 -6.848 -1.360 14.542 771 HE ARG 99 HE ARG 99 -7.884 -1.522 16.667 772 HH11 ARG 99 1HH1 ARG 99 -7.952 -2.275 18.797 773 HH12 ARG 99 2HH1 ARG 99 -6.974 -3.630 19.254 774 HH21 ARG 99 1HH2 ARG 99 -5.603 -4.041 16.095 775 HH22 ARG 99 2HH2 ARG 99 -5.643 -4.630 17.724 776 H ALA 100 H ALA 100 -9.754 -6.046 11.666 777 HA ALA 100 HA ALA 100 -8.103 -4.791 9.576 778 HB1 ALA 100 1HB ALA 100 -9.276 -7.313 8.794 779 HB2 ALA 100 2HB ALA 100 -8.594 -7.439 10.415 780 HB3 ALA 100 3HB ALA 100 -7.579 -6.920 9.070 781 H SER 101 H SER 101 -8.846 -4.431 7.424 782 HA SER 101 HA SER 101 -11.809 -4.481 7.047 783 HB2 SER 101 2HB SER 101 -11.782 -2.265 6.109 784 HB3 SER 101 1HB SER 101 -10.939 -2.175 7.653 785 HG SER 101 HG SER 101 -9.861 -2.269 5.037 786 H GLU 102 H GLU 102 -12.312 -4.123 4.610 787 HA GLU 102 HA GLU 102 -10.312 -5.688 3.037 788 HB2 GLU 102 2HB GLU 102 -13.287 -5.329 2.584 789 HB3 GLU 102 1HB GLU 102 -12.212 -6.319 1.596 790 HG2 GLU 102 2HG GLU 102 -11.657 -7.677 3.605 791 HG3 GLU 102 1HG GLU 102 -12.806 -6.722 4.542 792 H ILE 103 H ILE 103 -9.571 -4.887 1.080 793 HA ILE 103 HA ILE 103 -10.558 -2.172 0.294 794 HB ILE 103 HB ILE 103 -7.731 -3.253 0.078 795 HG12 ILE 103 2HG1 ILE 103 -8.840 -1.072 1.874 796 HG13 ILE 103 1HG1 ILE 103 -8.514 -2.722 2.411 797 HG21 ILE 103 1HG2 ILE 103 -9.108 -1.110 -1.246 798 HG22 ILE 103 2HG2 ILE 103 -7.413 -1.580 -1.392 799 HG23 ILE 103 3HG2 ILE 103 -7.905 -0.421 -0.157 800 HD11 ILE 103 1HD1 ILE 103 -6.134 -2.323 1.428 801 HD12 ILE 103 2HD1 ILE 103 -6.534 -1.590 2.982 802 HD13 ILE 103 3HD1 ILE 103 -6.561 -0.614 1.513 803 H GLU 104 H GLU 104 -11.038 -1.915 -1.861 804 HA GLU 104 HA GLU 104 -10.572 -4.283 -3.630 805 HB2 GLU 104 2HB GLU 104 -12.969 -3.727 -3.135 806 HB3 GLU 104 1HB GLU 104 -12.716 -2.153 -3.889 807 HG2 GLU 104 2HG GLU 104 -12.014 -3.309 -5.985 808 HG3 GLU 104 1HG GLU 104 -12.396 -4.855 -5.227 809 H VAL 105 H VAL 105 -9.231 -3.929 -5.330 810 HA VAL 105 HA VAL 105 -8.918 -1.147 -6.330 811 HB VAL 105 HB VAL 105 -7.019 -1.643 -4.825 812 HG11 VAL 105 1HG1 VAL 105 -7.084 -4.090 -5.047 813 HG12 VAL 105 2HG1 VAL 105 -5.472 -3.465 -5.386 814 HG13 VAL 105 3HG1 VAL 105 -6.527 -3.955 -6.713 815 HG21 VAL 105 1HG2 VAL 105 -5.194 -1.255 -6.468 816 HG22 VAL 105 2HG2 VAL 105 -6.597 -0.238 -6.793 817 HG23 VAL 105 3HG2 VAL 105 -6.302 -1.673 -7.775 818 H ASP 106 H ASP 106 -8.752 -1.003 -8.571 819 HA ASP 106 HA ASP 106 -8.695 -3.609 -10.044 820 HB2 ASP 106 2HB ASP 106 -10.242 -1.089 -10.703 821 HB3 ASP 106 1HB ASP 106 -10.130 -2.500 -11.760 822 H PHE 107 H PHE 107 -7.135 -3.780 -11.588 823 HA PHE 107 HA PHE 107 -5.662 -1.292 -12.335 824 HB2 PHE 107 2HB PHE 107 -4.727 -4.154 -12.038 825 HB3 PHE 107 1HB PHE 107 -3.757 -2.885 -12.774 826 HD1 PHE 107 1HD PHE 107 -2.874 -1.027 -11.448 827 HD2 PHE 107 2HD PHE 107 -5.222 -4.137 -9.654 828 HE1 PHE 107 1HE PHE 107 -2.125 -0.294 -9.200 829 HE2 PHE 107 2HE PHE 107 -4.471 -3.413 -7.414 830 HZ PHE 107 HZ PHE 107 -2.922 -1.490 -7.178 831 H VAL 108 H VAL 108 -5.748 -0.767 -14.459 832 HA VAL 108 HA VAL 108 -6.498 -2.900 -16.415 833 HB VAL 108 HB VAL 108 -7.118 -0.030 -16.940 834 HG11 VAL 108 1HG1 VAL 108 -7.503 -1.690 -18.686 835 HG12 VAL 108 2HG1 VAL 108 -9.054 -1.095 -18.091 836 HG13 VAL 108 3HG1 VAL 108 -8.458 -2.672 -17.575 837 HG21 VAL 108 1HG2 VAL 108 -8.709 -1.873 -15.131 838 HG22 VAL 108 2HG2 VAL 108 -9.320 -0.356 -15.792 839 HG23 VAL 108 3HG2 VAL 108 -7.957 -0.344 -14.671 840 HA PRO 109 HA PRO 109 -2.539 -1.409 -18.038 841 HB2 PRO 109 2HB PRO 109 -2.165 -3.292 -19.938 842 HB3 PRO 109 1HB PRO 109 -1.927 -3.628 -18.214 843 HG2 PRO 109 2HG PRO 109 -4.206 -4.329 -19.979 844 HG3 PRO 109 1HG PRO 109 -3.471 -5.256 -18.663 845 HD2 PRO 109 2HD PRO 109 -5.825 -3.798 -18.428 846 HD3 PRO 109 1HD PRO 109 -4.783 -4.258 -17.063 847 H ASN 110 H ASN 110 -2.206 0.137 -19.531 848 HA ASN 110 HA ASN 110 -3.935 0.179 -21.956 849 HB2 ASN 110 2HB ASN 110 -4.433 2.026 -20.372 850 HB3 ASN 110 1HB ASN 110 -2.750 2.532 -20.482 851 HD21 ASN 110 1HD2 ASN 110 -5.629 1.964 -22.564 852 HD22 ASN 110 2HD2 ASN 110 -5.215 3.140 -23.717 853 H GLY 111 H GLY 111 -2.865 0.659 -23.932 854 HA2 GLY 111 2HA GLY 111 -0.059 -0.058 -24.005 855 HA3 GLY 111 1HA GLY 111 -1.019 0.474 -25.387 856 H SER 112 H SER 112 1.276 1.557 -25.641 857 HA SER 112 HA SER 112 2.483 3.565 -25.716 858 HB2 SER 112 2HB SER 112 0.966 5.070 -26.437 859 HB3 SER 112 1HB SER 112 -0.327 4.276 -25.542 860 HG SER 112 HG SER 112 1.611 6.014 -24.403 861 H GLY 113 H GLY 113 1.904 1.993 -23.056 862 HA2 GLY 113 2HA GLY 113 2.877 2.162 -20.911 863 HA3 GLY 113 1HA GLY 113 3.574 3.710 -21.406 864 H GLY 114 H GLY 114 0.407 2.272 -20.559 865 HA2 GLY 114 2HA GLY 114 -0.146 4.700 -18.952 866 HA3 GLY 114 1HA GLY 114 -1.323 4.237 -20.176 867 H THR 115 H THR 115 -1.333 4.246 -17.110 868 HA THR 115 HA THR 115 -2.457 1.504 -16.822 869 HB THR 115 HB THR 115 -1.369 2.543 -14.332 870 HG1 THR 115 1HG THR 115 0.128 3.458 -15.829 871 HG21 THR 115 1HG2 THR 115 -1.931 0.241 -14.470 872 HG22 THR 115 2HG2 THR 115 -0.169 0.292 -14.450 873 HG23 THR 115 3HG2 THR 115 -1.023 0.023 -15.967 874 H ARG 116 H ARG 116 -4.568 1.698 -16.263 875 HA ARG 116 HA ARG 116 -5.415 4.173 -14.821 876 HB2 ARG 116 2HB ARG 116 -6.562 3.586 -16.988 877 HB3 ARG 116 1HB ARG 116 -7.172 2.128 -16.196 878 HG2 ARG 116 2HG ARG 116 -8.374 3.415 -14.564 879 HG3 ARG 116 1HG ARG 116 -7.590 4.910 -15.080 880 HD2 ARG 116 2HD ARG 116 -8.645 4.707 -17.285 881 HD3 ARG 116 1HD ARG 116 -9.440 3.219 -16.774 882 HE ARG 116 HE ARG 116 -10.090 5.306 -14.927 883 HH11 ARG 116 1HH1 ARG 116 -12.129 6.268 -15.082 884 HH12 ARG 116 2HH1 ARG 116 -13.031 6.123 -16.555 885 HH21 ARG 116 1HH2 ARG 116 -10.602 4.244 -18.166 886 HH22 ARG 116 2HH2 ARG 116 -12.167 4.976 -18.301 887 H VAL 117 H VAL 117 -5.688 3.883 -12.649 888 HA VAL 117 HA VAL 117 -6.428 1.140 -11.703 889 HB VAL 117 HB VAL 117 -4.658 3.149 -10.301 890 HG11 VAL 117 1HG1 VAL 117 -4.216 1.237 -8.779 891 HG12 VAL 117 2HG1 VAL 117 -5.392 0.272 -9.672 892 HG13 VAL 117 3HG1 VAL 117 -5.919 1.695 -8.773 893 HG21 VAL 117 1HG2 VAL 117 -3.293 2.351 -12.020 894 HG22 VAL 117 2HG2 VAL 117 -4.111 0.790 -12.081 895 HG23 VAL 117 3HG2 VAL 117 -2.994 1.150 -10.764 896 H GLU 118 H GLU 118 -8.017 0.983 -10.200 897 HA GLU 118 HA GLU 118 -9.166 3.537 -9.137 898 HB2 GLU 118 2HB GLU 118 -10.657 0.996 -9.887 899 HB3 GLU 118 1HB GLU 118 -11.384 2.452 -9.208 900 HG2 GLU 118 2HG GLU 118 -10.588 3.742 -11.178 901 HG3 GLU 118 1HG GLU 118 -9.944 2.253 -11.870 902 H LEU 119 H LEU 119 -8.318 3.486 -7.068 903 HA LEU 119 HA LEU 119 -8.483 0.922 -5.573 904 HB2 LEU 119 2HB LEU 119 -6.282 2.207 -5.772 905 HB3 LEU 119 1HB LEU 119 -7.019 3.428 -4.739 906 HG LEU 119 HG LEU 119 -7.199 0.617 -3.772 907 HD11 LEU 119 1HD1 LEU 119 -4.624 2.130 -4.130 908 HD12 LEU 119 2HD1 LEU 119 -4.952 0.418 -4.399 909 HD13 LEU 119 3HD1 LEU 119 -4.829 1.044 -2.756 910 HD21 LEU 119 1HD2 LEU 119 -6.173 2.950 -2.200 911 HD22 LEU 119 2HD2 LEU 119 -7.244 1.644 -1.693 912 HD23 LEU 119 3HD2 LEU 119 -7.869 2.965 -2.678 913 H ALA 120 H ALA 120 -9.954 0.715 -3.952 914 HA ALA 120 HA ALA 120 -11.122 3.214 -2.805 915 HB1 ALA 120 1HB ALA 120 -12.969 0.935 -2.937 916 HB2 ALA 120 2HB ALA 120 -12.491 1.537 -4.524 917 HB3 ALA 120 3HB ALA 120 -13.240 2.627 -3.357 918 H HIS 121 H HIS 121 -10.559 3.187 -0.686 919 HA HIS 121 HA HIS 121 -10.413 0.549 0.709 920 HB2 HIS 121 2HB HIS 121 -8.795 1.432 2.104 921 HB3 HIS 121 1HB HIS 121 -8.477 2.379 0.652 922 HD1 HIS 121 1HD HIS 121 -10.358 2.638 3.952 923 HD2 HIS 121 2HD HIS 121 -8.833 5.121 0.965 924 HE1 HIS 121 1HE HIS 121 -10.589 5.017 4.806 925 HE2 HIS 121 2HE HIS 121 -9.681 6.533 2.988 926 H VAL 122 H VAL 122 -11.922 0.125 2.286 927 HA VAL 122 HA VAL 122 -13.614 2.415 3.188 928 HB VAL 122 HB VAL 122 -15.580 0.896 3.016 929 HG11 VAL 122 1HG1 VAL 122 -14.667 0.682 0.279 930 HG12 VAL 122 2HG1 VAL 122 -14.178 2.228 0.971 931 HG13 VAL 122 3HG1 VAL 122 -15.880 1.765 0.962 932 HG21 VAL 122 1HG2 VAL 122 -14.095 -0.946 1.222 933 HG22 VAL 122 2HG2 VAL 122 -15.395 -1.297 2.359 934 HG23 VAL 122 3HG2 VAL 122 -13.738 -1.128 2.939 935 H LYS 123 H LYS 123 -14.625 2.172 5.217 936 HA LYS 123 HA LYS 123 -14.667 1.637 7.482 937 HB2 LYS 123 2HB LYS 123 -14.151 -1.137 6.382 938 HB3 LYS 123 1HB LYS 123 -14.665 -0.778 8.028 939 HG2 LYS 123 2HG LYS 123 -16.776 -0.965 7.220 940 HG3 LYS 123 1HG LYS 123 -16.499 0.640 6.546 941 HD2 LYS 123 2HD LYS 123 -15.398 -0.716 4.570 942 HD3 LYS 123 1HD LYS 123 -16.399 -2.027 5.184 943 HE2 LYS 123 2HE LYS 123 -17.398 0.725 4.393 944 HE3 LYS 123 1HE LYS 123 -17.589 -0.747 3.438 945 HZ1 LYS 123 1HZ LYS 123 -18.471 -1.197 6.079 946 HZ2 LYS 123 2HZ LYS 123 -19.353 -1.293 4.630 947 HZ3 LYS 123 3HZ LYS 123 -19.241 0.183 5.463 948 H LEU 124 H LEU 124 -12.025 2.421 6.350 949 HA LEU 124 HA LEU 124 -10.052 0.731 7.636 950 HB2 LEU 124 2HB LEU 124 -10.032 3.432 6.348 951 HB3 LEU 124 1HB LEU 124 -8.723 3.051 7.462 952 HG LEU 124 HG LEU 124 -9.509 1.404 5.034 953 HD11 LEU 124 1HD1 LEU 124 -7.858 2.487 3.875 954 HD12 LEU 124 2HD1 LEU 124 -6.828 2.640 5.294 955 HD13 LEU 124 3HD1 LEU 124 -8.155 3.772 5.044 956 HD21 LEU 124 1HD2 LEU 124 -7.733 0.937 7.360 957 HD22 LEU 124 2HD2 LEU 124 -7.006 0.601 5.789 958 HD23 LEU 124 3HD2 LEU 124 -8.485 -0.227 6.271 959 H HIS 125 H HIS 125 -11.690 3.761 8.467 960 HA HIS 125 HA HIS 125 -10.454 4.478 10.828 961 HB2 HIS 125 2HB HIS 125 -12.262 5.825 10.057 962 HB3 HIS 125 1HB HIS 125 -13.389 4.473 10.145 963 HD1 HIS 125 1HD HIS 125 -10.909 5.711 12.762 964 HD2 HIS 125 2HD HIS 125 -15.013 5.125 12.298 965 HE1 HIS 125 1HE HIS 125 -11.963 6.201 15.014 966 HE2 HIS 125 2HE HIS 125 -14.460 5.853 14.742 967 H ARG 126 H ARG 126 -11.944 1.501 10.232 968 HA ARG 126 HA ARG 126 -13.030 0.770 12.707 969 HB2 ARG 126 2HB ARG 126 -12.974 -0.683 10.674 970 HB3 ARG 126 1HB ARG 126 -11.264 -0.971 10.981 971 HG2 ARG 126 2HG ARG 126 -11.843 -1.871 13.228 972 HG3 ARG 126 1HG ARG 126 -13.552 -1.663 12.841 973 HD2 ARG 126 2HD ARG 126 -11.605 -3.378 11.271 974 HD3 ARG 126 1HD ARG 126 -12.799 -3.985 12.418 975 HE ARG 126 HE ARG 126 -13.342 -3.129 9.697 976 HH11 ARG 126 1HH1 ARG 126 -15.509 -3.189 9.054 977 HH12 ARG 126 2HH1 ARG 126 -16.752 -3.304 10.255 978 HH21 ARG 126 1HH2 ARG 126 -14.539 -3.345 12.924 979 HH22 ARG 126 2HH2 ARG 126 -16.203 -3.392 12.445 980 H HIS 127 H HIS 127 -9.620 1.121 11.787 981 HA HIS 127 HA HIS 127 -8.716 0.013 14.346 982 HB2 HIS 127 2HB HIS 127 -6.454 0.866 13.554 983 HB3 HIS 127 1HB HIS 127 -7.210 -0.353 12.534 984 HD1 HIS 127 1HD HIS 127 -9.134 2.491 11.837 985 HD2 HIS 127 2HD HIS 127 -5.257 1.380 10.791 986 HE1 HIS 127 1HE HIS 127 -8.544 3.810 9.756 987 HE2 HIS 127 2HE HIS 127 -6.176 3.160 9.125 988 H GLY 128 H GLY 128 -9.269 3.201 12.959 989 HA2 GLY 128 2HA GLY 128 -8.857 5.353 13.896 990 HA3 GLY 128 1HA GLY 128 -9.856 4.654 15.170 991 H ASP 129 H ASP 129 -8.698 5.894 16.768 992 HA ASP 129 HA ASP 129 -6.911 6.367 18.236 993 HB2 ASP 129 2HB ASP 129 -7.730 4.108 18.947 994 HB3 ASP 129 1HB ASP 129 -6.498 3.381 17.913 995 H GLY 130 H GLY 130 -5.813 7.455 16.280 996 HA2 GLY 130 2HA GLY 130 -3.718 7.930 15.302 997 HA3 GLY 130 1HA GLY 130 -3.057 6.532 16.162 998 H ALA 131 H ALA 131 -5.868 6.393 14.073 999 HA ALA 131 HA ALA 131 -4.926 4.137 12.615 1000 HB1 ALA 131 1HB ALA 131 -6.765 5.239 10.944 1001 HB2 ALA 131 2HB ALA 131 -7.183 6.042 12.455 1002 HB3 ALA 131 3HB ALA 131 -7.183 4.280 12.366 1003 H TRP 132 H TRP 132 -5.258 7.537 11.441 1004 HA TRP 132 HA TRP 132 -3.898 7.050 8.990 1005 HB2 TRP 132 2HB TRP 132 -5.202 9.135 9.507 1006 HB3 TRP 132 1HB TRP 132 -3.866 9.661 10.536 1007 HD1 TRP 132 HD TRP 132 -1.489 10.078 9.317 1008 HE1 TRP 132 1HE TRP 132 -0.948 10.795 6.903 1009 HE3 TRP 132 3HE TRP 132 -5.963 9.023 7.039 1010 HZ2 TRP 132 2HZ TRP 132 -2.225 10.911 4.356 1011 HZ3 TRP 132 3HZ TRP 132 -6.256 9.455 4.620 1012 HH2 TRP 132 HH TRP 132 -4.399 10.396 3.276 1013 H ASN 133 H ASN 133 -2.703 7.567 12.249 1014 HA ASN 133 HA ASN 133 -0.006 8.251 11.676 1015 HB2 ASN 133 2HB ASN 133 -1.188 7.936 13.979 1016 HB3 ASN 133 1HB ASN 133 -0.753 6.236 13.803 1017 HD21 ASN 133 1HD2 ASN 133 0.686 6.659 15.752 1018 HD22 ASN 133 2HD2 ASN 133 2.217 7.344 15.493 1019 H ILE 134 H ILE 134 -1.668 5.127 11.750 1020 HA ILE 134 HA ILE 134 0.560 3.466 11.161 1021 HB ILE 134 HB ILE 134 -2.341 3.169 10.348 1022 HG12 ILE 134 2HG1 ILE 134 -0.846 2.048 12.738 1023 HG13 ILE 134 1HG1 ILE 134 -1.924 3.446 12.804 1024 HG21 ILE 134 1HG2 ILE 134 0.007 1.614 9.783 1025 HG22 ILE 134 2HG2 ILE 134 -1.658 1.313 9.286 1026 HG23 ILE 134 3HG2 ILE 134 -1.070 0.691 10.828 1027 HD11 ILE 134 1HD1 ILE 134 -3.106 1.091 11.489 1028 HD12 ILE 134 2HD1 ILE 134 -3.789 2.155 12.718 1029 HD13 ILE 134 3HD1 ILE 134 -2.715 0.840 13.189 1030 H HIS 135 H HIS 135 -1.740 5.235 9.138 1031 HA HIS 135 HA HIS 135 -0.692 4.445 6.593 1032 HB2 HIS 135 2HB HIS 135 -2.892 5.520 6.800 1033 HB3 HIS 135 1HB HIS 135 -2.133 6.990 7.409 1034 HD1 HIS 135 1HD HIS 135 0.095 5.780 4.935 1035 HD2 HIS 135 2HD HIS 135 -3.537 7.819 4.805 1036 HE1 HIS 135 1HE HIS 135 -0.033 6.836 2.638 1037 HE2 HIS 135 2HE HIS 135 -2.258 8.068 2.535 1038 H LYS 136 H LYS 136 0.218 6.912 8.934 1039 HA LYS 136 HA LYS 136 1.879 8.531 7.341 1040 HB2 LYS 136 2HB LYS 136 1.342 8.860 9.806 1041 HB3 LYS 136 1HB LYS 136 2.572 7.652 10.143 1042 HG2 LYS 136 2HG LYS 136 4.236 9.006 8.957 1043 HG3 LYS 136 1HG LYS 136 3.013 10.231 8.647 1044 HD2 LYS 136 2HD LYS 136 2.678 10.445 11.121 1045 HD3 LYS 136 1HD LYS 136 4.032 9.338 11.355 1046 HE2 LYS 136 2HE LYS 136 5.403 11.121 11.250 1047 HE3 LYS 136 1HE LYS 136 4.978 11.263 9.545 1048 HZ1 LYS 136 1HZ LYS 136 3.723 13.040 9.943 1049 HZ2 LYS 136 2HZ LYS 136 4.470 13.114 11.467 1050 HZ3 LYS 136 3HZ LYS 136 2.971 12.333 11.290 1051 H ALA 137 H ALA 137 2.469 5.335 8.750 1052 HA ALA 137 HA ALA 137 5.264 5.201 8.044 1053 HB1 ALA 137 1HB ALA 137 3.139 3.180 8.641 1054 HB2 ALA 137 2HB ALA 137 4.672 3.459 9.470 1055 HB3 ALA 137 3HB ALA 137 4.647 2.632 7.916 1056 H LEU 138 H LEU 138 2.262 4.272 6.391 1057 HA LEU 138 HA LEU 138 3.600 3.357 3.988 1058 HB2 LEU 138 2HB LEU 138 0.749 4.287 4.454 1059 HB3 LEU 138 1HB LEU 138 1.327 3.528 2.973 1060 HG LEU 138 HG LEU 138 1.443 2.268 5.726 1061 HD11 LEU 138 1HD1 LEU 138 -0.824 2.628 4.359 1062 HD12 LEU 138 2HD1 LEU 138 -0.502 1.127 5.229 1063 HD13 LEU 138 3HD1 LEU 138 -0.232 1.213 3.488 1064 HD21 LEU 138 1HD2 LEU 138 2.438 1.527 3.006 1065 HD22 LEU 138 2HD2 LEU 138 1.768 0.236 4.004 1066 HD23 LEU 138 3HD2 LEU 138 3.137 1.181 4.588 1067 H ASP 139 H ASP 139 3.299 6.319 5.413 1068 HA ASP 139 HA ASP 139 3.764 8.488 4.707 1069 HB2 ASP 139 2HB ASP 139 5.018 6.761 2.662 1070 HB3 ASP 139 1HB ASP 139 4.705 8.413 2.148 1071 H GLY 140 H GLY 140 1.739 9.386 4.602 1072 HA2 GLY 140 2HA GLY 140 0.340 9.253 1.964 1073 HA3 GLY 140 1HA GLY 140 -0.507 9.407 3.499 1074 HA PRO 141 HA PRO 141 1.886 13.611 2.973 1075 HB2 PRO 141 2HB PRO 141 2.653 14.085 0.329 1076 HB3 PRO 141 1HB PRO 141 3.734 13.597 1.646 1077 HG2 PRO 141 2HG PRO 141 2.555 11.983 -0.530 1078 HG3 PRO 141 1HG PRO 141 4.104 11.801 0.309 1079 HD2 PRO 141 2HD PRO 141 1.956 10.182 0.775 1080 HD3 PRO 141 1HD PRO 141 3.187 10.531 2.006 1081 H SER 142 H SER 142 0.637 15.439 2.638 1082 HA SER 142 HA SER 142 -1.925 15.119 1.334 1083 HB2 SER 142 2HB SER 142 -0.726 16.963 3.146 1084 HB3 SER 142 1HB SER 142 -1.327 17.885 1.772 1085 HG SER 142 HG SER 142 -2.826 17.334 3.600 1086 HA PRO 143 HA PRO 143 0.181 18.351 -1.754 1087 HB2 PRO 143 2HB PRO 143 2.919 17.182 -1.648 1088 HB3 PRO 143 1HB PRO 143 2.420 18.880 -1.790 1089 HG2 PRO 143 2HG PRO 143 3.392 17.907 0.487 1090 HG3 PRO 143 1HG PRO 143 2.092 19.112 0.472 1091 HD2 PRO 143 2HD PRO 143 1.933 16.177 1.026 1092 HD3 PRO 143 1HD PRO 143 0.988 17.511 1.726 1093 H GLY 144 H GLY 144 1.176 14.965 -1.438 1094 HA2 GLY 144 2HA GLY 144 0.272 14.527 -4.223 1095 HA3 GLY 144 1HA GLY 144 1.901 13.996 -3.797 1096 H GLU 145 H GLU 145 0.077 12.107 -4.641 1097 HA GLU 145 HA GLU 145 -0.694 10.715 -2.118 1098 HB2 GLU 145 2HB GLU 145 -1.843 10.382 -4.891 1099 HB3 GLU 145 1HB GLU 145 -2.361 9.501 -3.456 1100 HG2 GLU 145 2HG GLU 145 -2.924 11.692 -2.381 1101 HG3 GLU 145 1HG GLU 145 -2.543 12.493 -3.906 1102 H THR 146 H THR 146 -0.753 8.202 -2.584 1103 HA THR 146 HA THR 146 1.906 7.333 -3.022 1104 HB THR 146 HB THR 146 -0.713 5.847 -3.190 1105 HG1 THR 146 1HG THR 146 -0.418 5.566 -1.129 1106 HG21 THR 146 1HG2 THR 146 0.795 4.565 -4.506 1107 HG22 THR 146 2HG2 THR 146 0.796 3.809 -2.910 1108 HG23 THR 146 3HG2 THR 146 2.130 4.859 -3.389 1109 H LEU 147 H LEU 147 -0.808 7.654 -5.249 1110 HA LEU 147 HA LEU 147 0.342 6.239 -7.432 1111 HB2 LEU 147 2HB LEU 147 -1.549 8.602 -7.514 1112 HB3 LEU 147 1HB LEU 147 -1.255 7.455 -8.814 1113 HG LEU 147 HG LEU 147 -1.873 5.659 -6.975 1114 HD11 LEU 147 1HD1 LEU 147 -2.612 6.528 -5.033 1115 HD12 LEU 147 2HD1 LEU 147 -4.000 7.164 -5.909 1116 HD13 LEU 147 3HD1 LEU 147 -2.575 8.167 -5.671 1117 HD21 LEU 147 1HD2 LEU 147 -3.212 5.642 -8.866 1118 HD22 LEU 147 2HD2 LEU 147 -3.586 7.359 -8.741 1119 HD23 LEU 147 3HD2 LEU 147 -4.384 6.207 -7.677 1120 H ALA 148 H ALA 148 0.677 9.580 -6.332 1121 HA ALA 148 HA ALA 148 2.038 10.542 -8.676 1122 HB1 ALA 148 1HB ALA 148 1.690 12.488 -7.622 1123 HB2 ALA 148 2HB ALA 148 2.840 12.020 -6.368 1124 HB3 ALA 148 3HB ALA 148 1.132 11.607 -6.198 1125 H ARG 149 H ARG 149 3.339 9.632 -5.463 1126 HA ARG 149 HA ARG 149 6.051 10.093 -6.197 1127 HB2 ARG 149 2HB ARG 149 6.576 8.685 -4.185 1128 HB3 ARG 149 1HB ARG 149 5.442 9.993 -3.868 1129 HG2 ARG 149 2HG ARG 149 4.066 8.430 -3.003 1130 HG3 ARG 149 1HG ARG 149 3.813 7.877 -4.655 1131 HD2 ARG 149 2HD ARG 149 4.504 5.922 -3.534 1132 HD3 ARG 149 1HD ARG 149 5.984 6.495 -4.301 1133 HE ARG 149 HE ARG 149 6.151 7.696 -1.866 1134 HH11 ARG 149 1HH1 ARG 149 6.940 6.730 0.019 1135 HH12 ARG 149 2HH1 ARG 149 6.842 5.010 0.200 1136 HH21 ARG 149 1HH2 ARG 149 5.329 4.505 -2.878 1137 HH22 ARG 149 2HH2 ARG 149 5.931 3.751 -1.439 1138 H PHE 150 H PHE 150 4.190 7.032 -6.142 1139 HA PHE 150 HA PHE 150 6.475 5.513 -7.081 1140 HB2 PHE 150 2HB PHE 150 5.229 3.722 -6.536 1141 HB3 PHE 150 1HB PHE 150 4.066 4.878 -5.883 1142 HD1 PHE 150 1HD PHE 150 4.454 2.190 -8.100 1143 HD2 PHE 150 2HD PHE 150 2.525 6.003 -7.748 1144 HE1 PHE 150 1HE PHE 150 2.797 1.506 -9.814 1145 HE2 PHE 150 2HE PHE 150 0.859 5.323 -9.458 1146 HZ PHE 150 HZ PHE 150 1.005 3.074 -10.490 1147 H ALA 151 H ALA 151 3.688 7.033 -8.685 1148 HA ALA 151 HA ALA 151 4.110 5.728 -11.226 1149 HB1 ALA 151 1HB ALA 151 2.715 7.541 -12.153 1150 HB2 ALA 151 2HB ALA 151 2.840 8.415 -10.631 1151 HB3 ALA 151 3HB ALA 151 1.991 6.869 -10.693 1152 H ASN 152 H ASN 152 5.202 8.795 -9.856 1153 HA ASN 152 HA ASN 152 6.491 9.849 -12.147 1154 HB2 ASN 152 2HB ASN 152 7.125 10.144 -9.218 1155 HB3 ASN 152 1HB ASN 152 7.890 11.095 -10.482 1156 HD21 ASN 152 1HD2 ASN 152 6.279 12.320 -8.451 1157 HD22 ASN 152 2HD2 ASN 152 4.876 12.941 -9.185 1158 H VAL 153 H VAL 153 7.849 7.847 -9.540 1159 HA VAL 153 HA VAL 153 10.494 7.786 -10.645 1160 HB VAL 153 HB VAL 153 10.797 5.851 -9.092 1161 HG11 VAL 153 1HG1 VAL 153 11.172 8.021 -8.156 1162 HG12 VAL 153 2HG1 VAL 153 10.121 7.189 -7.009 1163 HG13 VAL 153 3HG1 VAL 153 9.445 8.379 -8.124 1164 HG21 VAL 153 1HG2 VAL 153 8.621 4.831 -9.267 1165 HG22 VAL 153 2HG2 VAL 153 7.838 6.303 -8.707 1166 HG23 VAL 153 3HG2 VAL 153 8.826 5.362 -7.604 1167 H ILE 154 H ILE 154 7.695 5.633 -11.002 1168 HA ILE 154 HA ILE 154 9.072 3.583 -12.408 1169 HB ILE 154 HB ILE 154 6.178 4.436 -12.402 1170 HG12 ILE 154 2HG1 ILE 154 7.620 2.056 -11.231 1171 HG13 ILE 154 1HG1 ILE 154 7.172 3.489 -10.326 1172 HG21 ILE 154 1HG2 ILE 154 6.493 3.374 -14.515 1173 HG22 ILE 154 2HG2 ILE 154 5.825 2.142 -13.448 1174 HG23 ILE 154 3HG2 ILE 154 7.548 2.148 -13.815 1175 HD11 ILE 154 1HD1 ILE 154 5.157 1.817 -11.832 1176 HD12 ILE 154 2HD1 ILE 154 4.838 3.084 -10.650 1177 HD13 ILE 154 3HD1 ILE 154 5.543 1.551 -10.132 1178 HBB 96F 201 HBB SUM 155 -2.849 11.478 -0.317 1179 HBC 96F 201 HBC SUM 155 -1.070 11.502 -0.235 1180 HBA 96F 201 HBA SUM 155 -2.028 11.343 1.257 1181 HA2 96F 201 2HA SUM 155 -1.653 9.106 1.003 1182 HA1 96F 201 1HA SUM 155 -1.227 9.279 -0.714 1183 HAY 96F 201 HAY SUM 155 -3.855 8.505 1.679 1184 HAZ 96F 201 HAZ SUM 155 -5.251 8.735 0.598 1185 HA0 96F 201 0HA SUM 155 -4.358 10.147 1.208 1186 HBE 96F 201 HBE SUM 155 -3.750 9.415 -2.265 1187 H1 96F 201 HAV SUM 155 -4.895 7.966 -2.305 1188 HAS 96F 201 HAS SUM 155 -6.323 6.826 -3.444 1189 HAT 96F 201 HAT SUM 155 -7.205 5.288 -3.610 1190 HAU 96F 201 HAU SUM 155 -6.941 6.317 -5.036 1191 HAK 96F 201 HAK SUM 155 -5.782 4.956 -6.421 1192 HAF 96F 201 HAF SUM 155 -2.794 2.813 -9.536 1193 HAE 96F 201 HAE SUM 155 -0.635 1.705 -10.020 1194 HAD 96F 201 HAD SUM 155 1.030 1.381 -8.205 1195 HAR 96F 201 HAR SUM 155 1.393 1.550 -5.948 1196 HAQ 96F 201 HAQ SUM 155 -2.805 4.301 -1.711 Start of MODEL 5 1 H MET 1 1HT MET 1 -3.334 15.145 6.675 2 HA MET 1 HA MET 1 -2.845 12.454 6.302 3 HB2 MET 1 2HB MET 1 -0.987 12.314 8.136 4 HB3 MET 1 1HB MET 1 -0.508 12.606 6.464 5 HG2 MET 1 2HG MET 1 0.200 14.721 6.908 6 HG3 MET 1 1HG MET 1 -1.156 15.048 7.986 7 HE1 MET 1 1HE MET 1 1.663 11.929 8.658 8 HE2 MET 1 2HE MET 1 2.866 13.215 8.636 9 HE3 MET 1 3HE MET 1 1.758 13.032 7.279 10 HA PRO 2 HA PRO 2 -5.379 14.227 9.832 11 HB2 PRO 2 2HB PRO 2 -7.537 12.612 8.675 12 HB3 PRO 2 1HB PRO 2 -7.508 14.346 9.041 13 HG2 PRO 2 2HG PRO 2 -7.494 13.356 6.522 14 HG3 PRO 2 1HG PRO 2 -6.762 14.906 6.969 15 HD2 PRO 2 2HD PRO 2 -5.431 12.286 6.401 16 HD3 PRO 2 1HD PRO 2 -4.865 13.940 6.066 17 H GLU 3 H GLU 3 -5.838 13.092 11.738 18 HA GLU 3 HA GLU 3 -4.739 10.474 12.080 19 HB2 GLU 3 2HB GLU 3 -6.707 12.031 13.788 20 HB3 GLU 3 1HB GLU 3 -5.877 10.564 14.300 21 HG2 GLU 3 2HG GLU 3 -3.695 11.685 13.918 22 HG3 GLU 3 1HG GLU 3 -4.553 13.163 13.481 23 H GLU 4 H GLU 4 -7.927 11.621 11.197 24 HA GLU 4 HA GLU 4 -9.139 8.957 11.580 25 HB2 GLU 4 2HB GLU 4 -10.390 11.074 12.083 26 HB3 GLU 4 1HB GLU 4 -10.344 11.440 10.359 27 HG2 GLU 4 2HG GLU 4 -11.498 9.284 9.894 28 HG3 GLU 4 1HG GLU 4 -11.618 9.004 11.634 29 H ILE 5 H ILE 5 -9.630 7.558 9.904 30 HA ILE 5 HA ILE 5 -8.779 8.409 7.166 31 HB ILE 5 HB ILE 5 -8.839 5.520 7.739 32 HG12 ILE 5 2HG1 ILE 5 -7.992 6.466 9.902 33 HG13 ILE 5 1HG1 ILE 5 -6.825 5.464 9.055 34 HG21 ILE 5 1HG2 ILE 5 -7.960 6.353 5.655 35 HG22 ILE 5 2HG2 ILE 5 -6.629 5.682 6.596 36 HG23 ILE 5 3HG2 ILE 5 -6.851 7.427 6.507 37 HD11 ILE 5 1HD1 ILE 5 -6.801 8.326 8.349 38 HD12 ILE 5 2HD1 ILE 5 -5.457 7.213 8.604 39 HD13 ILE 5 3HD1 ILE 5 -6.274 7.941 9.987 40 HA PRO 6 HA PRO 6 -13.196 7.206 6.822 41 HB2 PRO 6 2HB PRO 6 -13.938 9.225 5.141 42 HB3 PRO 6 1HB PRO 6 -13.870 9.413 6.904 43 HG2 PRO 6 2HG PRO 6 -12.026 10.407 4.824 44 HG3 PRO 6 1HG PRO 6 -12.406 11.077 6.417 45 HD2 PRO 6 2HD PRO 6 -10.101 9.592 5.746 46 HD3 PRO 6 1HD PRO 6 -10.646 9.997 7.387 47 H ASP 7 H ASP 7 -14.464 6.637 4.777 48 HA ASP 7 HA ASP 7 -12.731 5.246 2.940 49 HB2 ASP 7 2HB ASP 7 -14.869 4.727 1.743 50 HB3 ASP 7 1HB ASP 7 -14.921 4.335 3.461 51 H VAL 8 H VAL 8 -11.795 6.017 1.144 52 HA VAL 8 HA VAL 8 -13.069 8.284 -0.301 53 HB VAL 8 HB VAL 8 -11.280 9.178 1.217 54 HG11 VAL 8 1HG1 VAL 8 -9.182 8.311 1.260 55 HG12 VAL 8 2HG1 VAL 8 -9.132 8.106 -0.491 56 HG13 VAL 8 3HG1 VAL 8 -9.925 6.897 0.516 57 HG21 VAL 8 1HG2 VAL 8 -11.900 10.131 -1.090 58 HG22 VAL 8 2HG2 VAL 8 -10.431 9.355 -1.681 59 HG23 VAL 8 3HG2 VAL 8 -10.329 10.604 -0.441 60 H ARG 9 H ARG 9 -12.822 8.126 -2.550 61 HA ARG 9 HA ARG 9 -11.238 5.770 -3.517 62 HB2 ARG 9 2HB ARG 9 -13.719 5.525 -3.751 63 HB3 ARG 9 1HB ARG 9 -13.725 6.964 -4.774 64 HG2 ARG 9 2HG ARG 9 -12.124 5.832 -6.317 65 HG3 ARG 9 1HG ARG 9 -12.243 4.377 -5.326 66 HD2 ARG 9 2HD ARG 9 -14.563 5.737 -6.729 67 HD3 ARG 9 1HD ARG 9 -13.766 4.258 -7.269 68 HE ARG 9 HE ARG 9 -14.832 4.154 -4.533 69 HH11 ARG 9 1HH1 ARG 9 -16.461 2.617 -4.224 70 HH12 ARG 9 2HH1 ARG 9 -17.200 1.871 -5.600 71 HH21 ARG 9 1HH2 ARG 9 -15.288 3.616 -7.907 72 HH22 ARG 9 2HH2 ARG 9 -16.536 2.436 -7.686 73 H LYS 10 H LYS 10 -9.576 6.309 -4.841 74 HA LYS 10 HA LYS 10 -9.787 8.838 -6.417 75 HB2 LYS 10 2HB LYS 10 -7.357 7.875 -4.876 76 HB3 LYS 10 1HB LYS 10 -7.396 9.278 -5.949 77 HG2 LYS 10 2HG LYS 10 -9.194 10.264 -4.521 78 HG3 LYS 10 1HG LYS 10 -9.015 8.903 -3.413 79 HD2 LYS 10 2HD LYS 10 -6.602 9.505 -3.139 80 HD3 LYS 10 1HD LYS 10 -6.883 10.934 -4.134 81 HE2 LYS 10 2HE LYS 10 -8.529 11.769 -2.530 82 HE3 LYS 10 1HE LYS 10 -8.354 10.309 -1.557 83 HZ1 LYS 10 1HZ LYS 10 -5.819 11.099 -1.742 84 HZ2 LYS 10 2HZ LYS 10 -6.854 11.556 -0.473 85 HZ3 LYS 10 3HZ LYS 10 -6.597 12.605 -1.785 86 H SER 11 H SER 11 -8.792 8.755 -8.459 87 HA SER 11 HA SER 11 -7.439 6.215 -9.213 88 HB2 SER 11 2HB SER 11 -8.779 6.018 -11.239 89 HB3 SER 11 1HB SER 11 -9.858 6.063 -9.845 90 HG SER 11 HG SER 11 -10.740 7.654 -10.909 91 H VAL 12 H VAL 12 -5.841 6.507 -10.803 92 HA VAL 12 HA VAL 12 -5.626 9.110 -12.166 93 HB VAL 12 HB VAL 12 -3.747 8.201 -10.012 94 HG11 VAL 12 1HG1 VAL 12 -3.105 9.844 -12.462 95 HG12 VAL 12 2HG1 VAL 12 -2.229 8.454 -11.825 96 HG13 VAL 12 3HG1 VAL 12 -2.177 9.994 -10.971 97 HG21 VAL 12 1HG2 VAL 12 -5.019 10.833 -10.808 98 HG22 VAL 12 2HG2 VAL 12 -3.829 10.670 -9.517 99 HG23 VAL 12 3HG2 VAL 12 -5.389 9.861 -9.382 100 H VAL 13 H VAL 13 -4.029 9.048 -13.909 101 HA VAL 13 HA VAL 13 -3.473 6.259 -14.782 102 HB VAL 13 HB VAL 13 -3.482 8.817 -16.409 103 HG11 VAL 13 1HG1 VAL 13 -3.399 5.891 -17.207 104 HG12 VAL 13 2HG1 VAL 13 -2.068 7.040 -17.351 105 HG13 VAL 13 3HG1 VAL 13 -3.523 7.247 -18.327 106 HG21 VAL 13 1HG2 VAL 13 -5.559 6.609 -16.259 107 HG22 VAL 13 2HG2 VAL 13 -5.654 8.074 -17.235 108 HG23 VAL 13 3HG2 VAL 13 -5.719 8.182 -15.476 109 H VAL 14 H VAL 14 -1.380 5.589 -15.066 110 HA VAL 14 HA VAL 14 0.773 7.657 -14.879 111 HB VAL 14 HB VAL 14 2.089 5.994 -13.539 112 HG11 VAL 14 1HG1 VAL 14 -0.509 7.154 -12.568 113 HG12 VAL 14 2HG1 VAL 14 1.139 7.664 -12.202 114 HG13 VAL 14 3HG1 VAL 14 0.488 6.194 -11.477 115 HG21 VAL 14 1HG2 VAL 14 0.989 3.947 -14.167 116 HG22 VAL 14 2HG2 VAL 14 -0.572 4.554 -13.612 117 HG23 VAL 14 3HG2 VAL 14 0.697 4.187 -12.445 118 H ALA 15 H ALA 15 2.883 6.842 -15.750 119 HA ALA 15 HA ALA 15 2.432 5.367 -18.246 120 HB1 ALA 15 1HB ALA 15 4.559 6.113 -18.889 121 HB2 ALA 15 2HB ALA 15 5.138 6.184 -17.222 122 HB3 ALA 15 3HB ALA 15 4.017 7.409 -17.823 123 H ALA 16 H ALA 16 2.027 3.173 -17.611 124 HA ALA 16 HA ALA 16 4.361 1.570 -17.159 125 HB1 ALA 16 1HB ALA 16 3.327 0.792 -14.800 126 HB2 ALA 16 2HB ALA 16 2.860 2.492 -14.768 127 HB3 ALA 16 3HB ALA 16 4.558 2.047 -14.931 128 H SER 17 H SER 17 3.777 -0.750 -16.774 129 HA SER 17 HA SER 17 1.135 -1.338 -18.000 130 HB2 SER 17 2HB SER 17 3.199 -2.305 -19.058 131 HB3 SER 17 1HB SER 17 3.511 -3.180 -17.562 132 HG SER 17 HG SER 17 2.356 -4.584 -18.744 133 H VAL 18 H VAL 18 -0.317 -2.779 -16.887 134 HA VAL 18 HA VAL 18 -0.342 -2.595 -14.068 135 HB VAL 18 HB VAL 18 -2.091 -4.315 -14.143 136 HG11 VAL 18 1HG1 VAL 18 -3.625 -3.062 -15.434 137 HG12 VAL 18 2HG1 VAL 18 -2.394 -2.620 -16.613 138 HG13 VAL 18 3HG1 VAL 18 -2.378 -1.890 -15.011 139 HG21 VAL 18 1HG2 VAL 18 -0.781 -4.871 -16.760 140 HG22 VAL 18 2HG2 VAL 18 -2.538 -5.022 -16.703 141 HG23 VAL 18 3HG2 VAL 18 -1.535 -5.989 -15.623 142 H GLU 19 H GLU 19 0.983 -5.118 -16.174 143 HA GLU 19 HA GLU 19 1.606 -7.000 -14.120 144 HB2 GLU 19 2HB GLU 19 1.734 -7.462 -16.587 145 HB3 GLU 19 1HB GLU 19 3.187 -6.467 -16.644 146 HG2 GLU 19 2HG GLU 19 4.242 -7.961 -14.950 147 HG3 GLU 19 1HG GLU 19 2.811 -8.991 -15.010 148 H HIS 20 H HIS 20 3.315 -4.194 -15.415 149 HA HIS 20 HA HIS 20 5.725 -4.531 -13.888 150 HB2 HIS 20 2HB HIS 20 5.826 -3.005 -15.721 151 HB3 HIS 20 1HB HIS 20 4.417 -2.110 -15.143 152 HD1 HIS 20 1HD HIS 20 8.081 -2.315 -14.816 153 HD2 HIS 20 2HD HIS 20 4.941 -0.622 -12.641 154 HE1 HIS 20 1HE HIS 20 9.127 -0.709 -13.163 155 HE2 HIS 20 2HE HIS 20 7.226 0.323 -11.845 156 H CYS 21 H CYS 21 2.679 -2.837 -13.277 157 HA CYS 21 HA CYS 21 3.332 -1.422 -10.964 158 HB2 CYS 21 2HB CYS 21 0.788 -2.946 -11.590 159 HB3 CYS 21 1HB CYS 21 0.944 -1.745 -10.313 160 HG CYS 21 HG CYS 21 1.780 -0.662 -13.044 161 H PHE 22 H PHE 22 2.429 -4.853 -11.265 162 HA PHE 22 HA PHE 22 2.792 -5.218 -8.385 163 HB2 PHE 22 2HB PHE 22 1.683 -6.800 -10.565 164 HB3 PHE 22 1HB PHE 22 2.683 -7.763 -9.466 165 HD1 PHE 22 1HD PHE 22 -0.131 -5.344 -9.613 166 HD2 PHE 22 2HD PHE 22 1.994 -8.215 -7.229 167 HE1 PHE 22 1HE PHE 22 -1.870 -5.173 -7.863 168 HE2 PHE 22 2HE PHE 22 0.249 -8.056 -5.473 169 HZ PHE 22 HZ PHE 22 -1.680 -6.522 -5.797 170 H GLU 23 H GLU 23 4.730 -5.595 -11.263 171 HA GLU 23 HA GLU 23 6.704 -7.358 -10.202 172 HB2 GLU 23 2HB GLU 23 6.654 -6.681 -12.581 173 HB3 GLU 23 1HB GLU 23 7.073 -5.036 -12.109 174 HG2 GLU 23 2HG GLU 23 9.178 -5.874 -11.100 175 HG3 GLU 23 1HG GLU 23 8.771 -7.502 -11.648 176 H VAL 24 H VAL 24 6.274 -3.857 -10.004 177 HA VAL 24 HA VAL 24 8.678 -3.340 -8.522 178 HB VAL 24 HB VAL 24 6.074 -1.798 -8.705 179 HG11 VAL 24 1HG1 VAL 24 6.945 -0.410 -7.180 180 HG12 VAL 24 2HG1 VAL 24 8.328 -0.136 -8.236 181 HG13 VAL 24 3HG1 VAL 24 8.376 -1.428 -7.040 182 HG21 VAL 24 1HG2 VAL 24 8.659 -1.772 -10.271 183 HG22 VAL 24 2HG2 VAL 24 7.559 -0.393 -10.264 184 HG23 VAL 24 3HG2 VAL 24 7.014 -1.953 -10.881 185 H PHE 25 H PHE 25 5.318 -4.016 -7.612 186 HA PHE 25 HA PHE 25 5.475 -3.519 -4.838 187 HB2 PHE 25 2HB PHE 25 3.882 -5.537 -6.424 188 HB3 PHE 25 1HB PHE 25 3.665 -5.303 -4.699 189 HD1 PHE 25 1HD PHE 25 4.556 -2.222 -6.434 190 HD2 PHE 25 2HD PHE 25 1.269 -4.816 -5.426 191 HE1 PHE 25 1HE PHE 25 2.972 -0.389 -6.858 192 HE2 PHE 25 2HE PHE 25 -0.311 -2.965 -5.860 193 HZ PHE 25 HZ PHE 25 0.543 -0.751 -6.571 194 H THR 26 H THR 26 6.173 -6.546 -6.600 195 HA THR 26 HA THR 26 7.153 -7.716 -4.070 196 HB THR 26 HB THR 26 7.202 -9.825 -5.309 197 HG1 THR 26 1HG THR 26 7.197 -9.825 -7.399 198 HG21 THR 26 1HG2 THR 26 4.830 -8.129 -5.042 199 HG22 THR 26 2HG2 THR 26 5.059 -9.817 -4.580 200 HG23 THR 26 3HG2 THR 26 4.638 -9.407 -6.243 201 H SER 27 H SER 27 8.518 -5.932 -6.563 202 HA SER 27 HA SER 27 11.012 -7.501 -6.631 203 HB2 SER 27 2HB SER 27 10.142 -4.985 -8.027 204 HB3 SER 27 1HB SER 27 11.761 -5.642 -8.168 205 HG SER 27 HG SER 27 10.641 -6.554 -9.809 206 H ARG 28 H ARG 28 10.106 -4.131 -5.670 207 HA ARG 28 HA ARG 28 11.936 -4.223 -3.425 208 HB2 ARG 28 2HB ARG 28 13.383 -2.307 -4.498 209 HB3 ARG 28 1HB ARG 28 13.761 -3.989 -4.840 210 HG2 ARG 28 2HG ARG 28 13.771 -2.705 -6.920 211 HG3 ARG 28 1HG ARG 28 12.433 -3.838 -6.945 212 HD2 ARG 28 2HD ARG 28 10.864 -2.066 -6.375 213 HD3 ARG 28 1HD ARG 28 12.186 -0.915 -6.166 214 HE ARG 28 HE ARG 28 12.065 -2.151 -8.820 215 HH11 ARG 28 1HH1 ARG 28 11.635 -0.713 -10.510 216 HH12 ARG 28 2HH1 ARG 28 11.070 0.884 -10.146 217 HH21 ARG 28 1HH2 ARG 28 11.100 0.401 -6.713 218 HH22 ARG 28 2HH2 ARG 28 10.767 1.514 -7.997 219 HA PRO 29 HA PRO 29 8.569 -0.887 -3.769 220 HB2 PRO 29 2HB PRO 29 7.720 -1.525 -1.144 221 HB3 PRO 29 1HB PRO 29 6.858 -1.838 -2.659 222 HG2 PRO 29 2HG PRO 29 8.448 -3.654 -0.998 223 HG3 PRO 29 1HG PRO 29 7.168 -4.001 -2.164 224 HD2 PRO 29 2HD PRO 29 9.811 -4.523 -2.646 225 HD3 PRO 29 1HD PRO 29 8.635 -4.192 -3.932 226 H ALA 30 H ALA 30 10.831 -1.783 -1.218 227 HA ALA 30 HA ALA 30 10.671 0.817 0.059 228 HB1 ALA 30 1HB ALA 30 12.845 -0.017 1.160 229 HB2 ALA 30 2HB ALA 30 12.529 -1.526 0.317 230 HB3 ALA 30 3HB ALA 30 11.365 -0.916 1.489 231 H ASP 31 H ASP 31 12.848 -0.666 -2.315 232 HA ASP 31 HA ASP 31 14.921 1.235 -2.290 233 HB2 ASP 31 2HB ASP 31 14.910 -0.862 -3.651 234 HB3 ASP 31 1HB ASP 31 13.789 -0.083 -4.770 235 H TRP 32 H TRP 32 11.701 1.493 -3.735 236 HA TRP 32 HA TRP 32 12.454 4.176 -4.786 237 HB2 TRP 32 2HB TRP 32 10.982 3.784 -6.456 238 HB3 TRP 32 1HB TRP 32 10.795 2.146 -5.833 239 HD1 TRP 32 HD TRP 32 9.357 5.660 -5.073 240 HE1 TRP 32 1HE TRP 32 6.887 5.392 -4.410 241 HE3 TRP 32 3HE TRP 32 8.917 0.603 -5.400 242 HZ2 TRP 32 2HZ TRP 32 4.985 3.301 -4.071 243 HZ3 TRP 32 3HZ TRP 32 6.743 -0.513 -4.911 244 HH2 TRP 32 HH TRP 32 4.772 0.844 -4.253 245 H TRP 33 H TRP 33 12.221 5.748 -3.289 246 HA TRP 33 HA TRP 33 9.962 5.533 -1.347 247 HB2 TRP 33 2HB TRP 33 12.029 7.519 -0.742 248 HB3 TRP 33 1HB TRP 33 11.378 6.234 0.276 249 HD1 TRP 33 HD TRP 33 12.878 4.214 0.678 250 HE1 TRP 33 1HE TRP 33 15.082 3.337 -0.332 251 HE3 TRP 33 3HE TRP 33 13.441 7.492 -3.198 252 HZ2 TRP 33 2HZ TRP 33 16.850 3.944 -2.497 253 HZ3 TRP 33 3HZ TRP 33 15.393 7.320 -4.716 254 HH2 TRP 33 HH TRP 33 17.096 5.552 -4.372 255 HA PRO 34 HA PRO 34 8.108 9.328 -2.625 256 HB2 PRO 34 2HB PRO 34 8.900 10.872 -0.229 257 HB3 PRO 34 1HB PRO 34 7.280 10.441 -0.801 258 HG2 PRO 34 2HG PRO 34 8.404 9.307 1.356 259 HG3 PRO 34 1HG PRO 34 7.271 8.449 0.300 260 HD2 PRO 34 2HD PRO 34 10.238 8.182 0.498 261 HD3 PRO 34 1HD PRO 34 9.014 6.951 0.117 262 HA PRO 35 HA PRO 35 10.981 11.989 -4.654 263 HB2 PRO 35 2HB PRO 35 9.719 14.481 -4.146 264 HB3 PRO 35 1HB PRO 35 9.504 13.447 -5.567 265 HG2 PRO 35 2HG PRO 35 7.797 13.755 -3.186 266 HG3 PRO 35 1HG PRO 35 7.368 13.285 -4.838 267 HD2 PRO 35 2HD PRO 35 7.435 11.500 -2.790 268 HD3 PRO 35 1HD PRO 35 7.822 11.040 -4.463 269 H SER 36 H SER 36 12.611 13.657 -4.245 270 HA SER 36 HA SER 36 13.808 13.563 -1.707 271 HB2 SER 36 2HB SER 36 14.912 14.360 -3.814 272 HB3 SER 36 1HB SER 36 14.010 15.865 -3.670 273 HG SER 36 HG SER 36 15.616 16.444 -2.443 274 H HIS 37 H HIS 37 11.271 15.685 -2.894 275 HA HIS 37 HA HIS 37 11.388 17.761 -0.998 276 HB2 HIS 37 2HB HIS 37 9.784 17.655 -2.915 277 HB3 HIS 37 1HB HIS 37 8.868 16.431 -2.037 278 HD1 HIS 37 1HD HIS 37 10.197 19.953 -1.349 279 HD2 HIS 37 2HD HIS 37 6.896 17.556 -0.471 280 HE1 HIS 37 1HE HIS 37 8.602 21.393 -0.005 281 HE2 HIS 37 2HE HIS 37 6.591 19.944 0.534 282 H VAL 38 H VAL 38 9.942 14.522 -0.696 283 HA VAL 38 HA VAL 38 9.697 15.024 2.249 284 HB VAL 38 HB VAL 38 8.063 13.115 0.549 285 HG11 VAL 38 1HG1 VAL 38 7.735 14.022 3.427 286 HG12 VAL 38 2HG1 VAL 38 8.391 12.460 2.933 287 HG13 VAL 38 3HG1 VAL 38 6.713 12.865 2.573 288 HG21 VAL 38 1HG2 VAL 38 6.214 14.782 1.155 289 HG22 VAL 38 2HG2 VAL 38 7.385 15.330 -0.044 290 HG23 VAL 38 3HG2 VAL 38 7.504 15.889 1.625 291 H LEU 39 H LEU 39 10.878 13.675 3.530 292 HA LEU 39 HA LEU 39 12.173 11.316 2.220 293 HB2 LEU 39 2HB LEU 39 13.072 12.827 4.692 294 HB3 LEU 39 1HB LEU 39 13.962 11.556 3.852 295 HG LEU 39 HG LEU 39 13.230 14.278 2.735 296 HD11 LEU 39 1HD1 LEU 39 15.797 14.365 2.558 297 HD12 LEU 39 2HD1 LEU 39 15.800 12.982 3.654 298 HD13 LEU 39 3HD1 LEU 39 15.106 14.517 4.174 299 HD21 LEU 39 1HD2 LEU 39 14.297 11.763 1.491 300 HD22 LEU 39 2HD2 LEU 39 14.863 13.320 0.886 301 HD23 LEU 39 3HD2 LEU 39 13.144 12.928 0.839 302 H VAL 40 H VAL 40 12.023 9.301 3.242 303 HA VAL 40 HA VAL 40 9.770 8.807 4.927 304 HB VAL 40 HB VAL 40 10.827 7.063 3.502 305 HG11 VAL 40 1HG1 VAL 40 12.935 6.033 4.219 306 HG12 VAL 40 2HG1 VAL 40 13.045 7.164 5.568 307 HG13 VAL 40 3HG1 VAL 40 13.177 7.753 3.912 308 HG21 VAL 40 1HG2 VAL 40 10.777 5.243 5.190 309 HG22 VAL 40 2HG2 VAL 40 9.431 6.364 5.394 310 HG23 VAL 40 3HG2 VAL 40 10.823 6.452 6.471 311 H LYS 41 H LYS 41 9.603 8.683 7.176 312 HA LYS 41 HA LYS 41 11.468 10.126 8.778 313 HB2 LYS 41 2HB LYS 41 9.069 9.723 9.374 314 HB3 LYS 41 1HB LYS 41 9.489 8.048 9.725 315 HG2 LYS 41 2HG LYS 41 11.141 8.825 11.405 316 HG3 LYS 41 1HG LYS 41 10.656 10.490 11.085 317 HD2 LYS 41 2HD LYS 41 8.308 9.861 11.718 318 HD3 LYS 41 1HD LYS 41 8.912 8.274 12.194 319 HE2 LYS 41 2HE LYS 41 8.929 9.486 14.214 320 HE3 LYS 41 1HE LYS 41 10.600 9.597 13.659 321 HZ1 LYS 41 1HZ LYS 41 9.664 11.713 12.461 322 HZ2 LYS 41 2HZ LYS 41 10.168 11.775 14.083 323 HZ3 LYS 41 3HZ LYS 41 8.516 11.652 13.707 324 H LYS 42 H LYS 42 11.078 6.670 8.156 325 HA LYS 42 HA LYS 42 13.661 6.194 9.592 326 HB2 LYS 42 2HB LYS 42 12.883 3.964 10.109 327 HB3 LYS 42 1HB LYS 42 11.610 5.087 10.587 328 HG2 LYS 42 2HG LYS 42 10.504 4.687 8.370 329 HG3 LYS 42 1HG LYS 42 11.712 3.449 8.036 330 HD2 LYS 42 2HD LYS 42 11.006 2.372 10.248 331 HD3 LYS 42 1HD LYS 42 9.612 3.454 10.204 332 HE2 LYS 42 2HE LYS 42 9.512 2.500 7.679 333 HE3 LYS 42 1HE LYS 42 10.246 1.112 8.487 334 HZ1 LYS 42 1HZ LYS 42 8.253 0.580 9.250 335 HZ2 LYS 42 2HZ LYS 42 7.564 1.965 8.548 336 HZ3 LYS 42 3HZ LYS 42 8.196 2.032 10.123 337 H GLU 43 H GLU 43 15.209 4.918 8.471 338 HA GLU 43 HA GLU 43 14.883 4.897 5.567 339 HB2 GLU 43 2HB GLU 43 17.125 3.877 7.312 340 HB3 GLU 43 1HB GLU 43 17.187 3.985 5.557 341 HG2 GLU 43 2HG GLU 43 16.776 6.433 5.721 342 HG3 GLU 43 1HG GLU 43 16.810 6.300 7.480 343 H ARG 44 H ARG 44 14.027 3.238 4.445 344 HA ARG 44 HA ARG 44 13.151 0.800 5.695 345 HB2 ARG 44 2HB ARG 44 13.555 1.451 2.759 346 HB3 ARG 44 1HB ARG 44 12.628 0.088 3.397 347 HG2 ARG 44 2HG ARG 44 11.126 1.642 4.570 348 HG3 ARG 44 1HG ARG 44 12.046 3.009 3.955 349 HD2 ARG 44 2HD ARG 44 11.528 2.221 1.625 350 HD3 ARG 44 1HD ARG 44 10.464 1.003 2.328 351 HE ARG 44 HE ARG 44 8.873 2.702 2.664 352 HH11 ARG 44 1HH1 ARG 44 8.181 4.852 2.713 353 HH12 ARG 44 2HH1 ARG 44 9.347 6.126 2.584 354 HH21 ARG 44 1HH2 ARG 44 12.058 3.978 2.331 355 HH22 ARG 44 2HH2 ARG 44 11.543 5.631 2.367 356 H ALA 45 H ALA 45 14.101 -1.255 5.674 357 HA ALA 45 HA ALA 45 16.986 -1.296 4.893 358 HB1 ALA 45 1HB ALA 45 17.185 -1.990 7.039 359 HB2 ALA 45 2HB ALA 45 16.544 -3.528 6.461 360 HB3 ALA 45 3HB ALA 45 15.460 -2.333 7.173 361 H GLY 46 H GLY 46 14.066 -3.372 4.916 362 HA2 GLY 46 2HA GLY 46 14.813 -4.446 2.295 363 HA3 GLY 46 1HA GLY 46 14.962 -5.617 3.598 364 H LEU 47 H LEU 47 13.211 -6.350 1.781 365 HA LEU 47 HA LEU 47 10.682 -6.120 3.217 366 HB2 LEU 47 2HB LEU 47 9.453 -5.565 1.025 367 HB3 LEU 47 1HB LEU 47 10.262 -4.249 1.860 368 HG LEU 47 HG LEU 47 10.641 -4.133 -0.550 369 HD11 LEU 47 1HD1 LEU 47 13.315 -4.986 0.442 370 HD12 LEU 47 2HD1 LEU 47 12.505 -3.614 1.207 371 HD13 LEU 47 3HD1 LEU 47 12.855 -3.586 -0.517 372 HD21 LEU 47 1HD2 LEU 47 11.441 -5.826 -1.874 373 HD22 LEU 47 2HD2 LEU 47 10.599 -6.786 -0.664 374 HD23 LEU 47 3HD2 LEU 47 12.351 -6.565 -0.564 375 H ALA 48 H ALA 48 9.337 -7.879 2.876 376 HA ALA 48 HA ALA 48 10.414 -9.974 1.029 377 HB1 ALA 48 1HB ALA 48 10.020 -11.580 2.609 378 HB2 ALA 48 2HB ALA 48 8.538 -10.808 3.166 379 HB3 ALA 48 3HB ALA 48 10.106 -10.229 3.738 380 H PHE 49 H PHE 49 8.920 -10.886 -0.426 381 HA PHE 49 HA PHE 49 6.098 -9.960 -0.214 382 HB2 PHE 49 2HB PHE 49 8.104 -9.156 -2.208 383 HB3 PHE 49 1HB PHE 49 6.597 -9.748 -2.902 384 HD1 PHE 49 1HD PHE 49 4.597 -8.462 -2.802 385 HD2 PHE 49 2HD PHE 49 8.040 -7.290 -0.522 386 HE1 PHE 49 1HE PHE 49 3.531 -6.280 -2.319 387 HE2 PHE 49 2HE PHE 49 6.972 -5.109 -0.032 388 HZ PHE 49 HZ PHE 49 4.722 -4.600 -0.945 389 H GLU 50 H GLU 50 4.715 -11.610 -0.682 390 HA GLU 50 HA GLU 50 5.742 -13.793 -2.452 391 HB2 GLU 50 2HB GLU 50 4.533 -13.985 0.267 392 HB3 GLU 50 1HB GLU 50 4.216 -15.279 -0.885 393 HG2 GLU 50 2HG GLU 50 6.951 -14.250 -0.123 394 HG3 GLU 50 1HG GLU 50 6.199 -15.684 0.571 395 HA PRO 51 HA PRO 51 1.716 -12.898 -4.286 396 HB2 PRO 51 2HB PRO 51 1.766 -14.571 -6.361 397 HB3 PRO 51 1HB PRO 51 2.899 -13.209 -6.264 398 HG2 PRO 51 2HG PRO 51 3.365 -16.096 -5.681 399 HG3 PRO 51 1HG PRO 51 4.406 -14.937 -6.524 400 HD2 PRO 51 2HD PRO 51 4.695 -15.653 -3.846 401 HD3 PRO 51 1HD PRO 51 5.326 -14.160 -4.579 402 H PHE 52 H PHE 52 -0.324 -13.664 -3.707 403 HA PHE 52 HA PHE 52 -1.266 -16.311 -3.950 404 HB2 PHE 52 2HB PHE 52 -1.248 -16.794 -1.360 405 HB3 PHE 52 1HB PHE 52 0.148 -17.219 -2.341 406 HD1 PHE 52 1HD PHE 52 1.413 -17.157 -0.130 407 HD2 PHE 52 2HD PHE 52 -0.352 -13.621 -1.833 408 HE1 PHE 52 1HE PHE 52 2.854 -15.719 1.288 409 HE2 PHE 52 2HE PHE 52 1.114 -12.222 -0.468 410 HZ PHE 52 HZ PHE 52 2.685 -13.241 1.121 411 H VAL 53 H VAL 53 -3.077 -16.698 -2.094 412 HA VAL 53 HA VAL 53 -4.763 -14.253 -2.078 413 HB VAL 53 HB VAL 53 -5.448 -17.142 -1.491 414 HG11 VAL 53 1HG1 VAL 53 -7.551 -16.477 -0.975 415 HG12 VAL 53 2HG1 VAL 53 -7.581 -15.287 -2.273 416 HG13 VAL 53 3HG1 VAL 53 -6.834 -14.886 -0.727 417 HG21 VAL 53 1HG2 VAL 53 -6.757 -16.627 -3.758 418 HG22 VAL 53 2HG2 VAL 53 -5.088 -17.195 -3.771 419 HG23 VAL 53 3HG2 VAL 53 -5.437 -15.477 -3.967 420 H GLY 54 H GLY 54 -5.423 -13.351 -0.031 421 HA2 GLY 54 2HA GLY 54 -5.259 -13.011 2.319 422 HA3 GLY 54 1HA GLY 54 -5.032 -14.769 2.473 423 H GLY 55 H GLY 55 -3.262 -12.766 0.353 424 HA2 GLY 55 2HA GLY 55 -0.738 -13.805 1.079 425 HA3 GLY 55 1HA GLY 55 -1.055 -12.462 -0.015 426 H ARG 56 H ARG 56 1.234 -12.211 1.313 427 HA ARG 56 HA ARG 56 0.584 -10.034 3.225 428 HB2 ARG 56 2HB ARG 56 2.346 -12.408 3.875 429 HB3 ARG 56 1HB ARG 56 2.281 -10.933 4.841 430 HG2 ARG 56 2HG ARG 56 -0.175 -11.277 5.132 431 HG3 ARG 56 1HG ARG 56 -0.033 -12.805 4.263 432 HD2 ARG 56 2HD ARG 56 1.392 -12.094 6.843 433 HD3 ARG 56 1HD ARG 56 0.029 -13.202 6.685 434 HE ARG 56 HE ARG 56 2.204 -14.005 4.965 435 HH11 ARG 56 1HH1 ARG 56 3.376 -15.832 5.591 436 HH12 ARG 56 2HH1 ARG 56 3.274 -16.391 7.228 437 HH21 ARG 56 1HH2 ARG 56 1.083 -13.895 8.223 438 HH22 ARG 56 2HH2 ARG 56 1.977 -15.294 8.718 439 H TYR 57 H TYR 57 2.119 -8.444 3.366 440 HA TYR 57 HA TYR 57 4.563 -8.700 1.664 441 HB2 TYR 57 2HB TYR 57 2.997 -6.157 2.200 442 HB3 TYR 57 1HB TYR 57 4.389 -6.326 1.138 443 HD1 TYR 57 1HD TYR 57 3.770 -8.837 -0.349 444 HD2 TYR 57 2HD TYR 57 1.202 -5.590 0.828 445 HE1 TYR 57 1HE TYR 57 2.243 -9.369 -2.213 446 HE2 TYR 57 2HE TYR 57 -0.321 -6.126 -1.052 447 HH TYR 57 HH TYR 57 0.392 -8.810 -3.291 448 H TYR 58 H TYR 58 6.478 -8.034 2.660 449 HA TYR 58 HA TYR 58 6.208 -7.155 5.513 450 HB2 TYR 58 2HB TYR 58 8.386 -8.878 4.329 451 HB3 TYR 58 1HB TYR 58 8.120 -8.522 6.028 452 HD1 TYR 58 1HD TYR 58 6.345 -9.987 3.066 453 HD2 TYR 58 2HD TYR 58 6.857 -9.997 7.328 454 HE1 TYR 58 1HE TYR 58 4.803 -11.904 3.239 455 HE2 TYR 58 2HE TYR 58 5.315 -11.929 7.501 456 HH TYR 58 HH TYR 58 3.205 -12.796 5.369 457 H GLU 59 H GLU 59 7.681 -5.662 6.304 458 HA GLU 59 HA GLU 59 9.634 -4.460 4.375 459 HB2 GLU 59 2HB GLU 59 7.621 -3.000 4.622 460 HB3 GLU 59 1HB GLU 59 7.917 -2.930 6.358 461 HG2 GLU 59 2HG GLU 59 10.184 -1.990 5.875 462 HG3 GLU 59 1HG GLU 59 9.765 -1.960 4.159 463 H TRP 60 H TRP 60 11.612 -3.912 5.330 464 HA TRP 60 HA TRP 60 11.969 -4.870 8.140 465 HB2 TRP 60 2HB TRP 60 13.540 -5.014 5.682 466 HB3 TRP 60 1HB TRP 60 14.482 -4.398 7.039 467 HD1 TRP 60 HD TRP 60 13.988 -5.986 9.414 468 HE1 TRP 60 1HE TRP 60 14.124 -8.567 9.509 469 HE3 TRP 60 3HE TRP 60 13.437 -7.088 4.459 470 HZ2 TRP 60 2HZ TRP 60 13.971 -10.801 7.705 471 HZ3 TRP 60 3HZ TRP 60 13.428 -9.433 3.674 472 HH2 TRP 60 HH TRP 60 13.700 -11.289 5.286 473 H ASP 61 H ASP 61 12.464 -3.350 9.704 474 HA ASP 61 HA ASP 61 13.269 -0.638 8.681 475 HB2 ASP 61 2HB ASP 61 12.644 -0.561 11.469 476 HB3 ASP 61 1HB ASP 61 11.810 0.232 10.138 477 H ILE 62 H ILE 62 15.173 0.266 9.416 478 HA ILE 62 HA ILE 62 17.344 -1.368 10.061 479 HB ILE 62 HB ILE 62 17.633 1.264 11.272 480 HG12 ILE 62 2HG1 ILE 62 17.385 2.428 9.023 481 HG13 ILE 62 1HG1 ILE 62 16.461 1.024 8.516 482 HG21 ILE 62 1HG2 ILE 62 18.815 0.227 8.701 483 HG22 ILE 62 2HG2 ILE 62 19.376 -0.345 10.273 484 HG23 ILE 62 3HG2 ILE 62 19.528 1.360 9.848 485 HD11 ILE 62 1HD1 ILE 62 15.679 3.230 10.283 486 HD12 ILE 62 2HD1 ILE 62 15.317 1.640 10.954 487 HD13 ILE 62 3HD1 ILE 62 14.662 2.106 9.384 488 H ASP 63 H ASP 63 15.318 0.488 12.324 489 HA ASP 63 HA ASP 63 16.641 -0.973 14.563 490 HB2 ASP 63 2HB ASP 63 14.836 1.468 14.544 491 HB3 ASP 63 1HB ASP 63 15.464 0.705 16.005 492 H GLY 64 H GLY 64 14.057 -1.151 12.516 493 HA2 GLY 64 2HA GLY 64 12.345 -2.468 14.559 494 HA3 GLY 64 1HA GLY 64 11.720 -1.757 13.082 495 H THR 65 H THR 65 11.967 -4.515 14.395 496 HA THR 65 HA THR 65 13.391 -6.280 12.693 497 HB THR 65 HB THR 65 10.806 -7.117 13.920 498 HG1 THR 65 1HG THR 65 12.557 -5.578 15.182 499 HG21 THR 65 1HG2 THR 65 11.879 -9.127 14.176 500 HG22 THR 65 2HG2 THR 65 13.422 -8.367 14.563 501 HG23 THR 65 3HG2 THR 65 12.895 -8.487 12.886 502 H GLU 66 H GLU 66 11.890 -8.061 11.500 503 HA GLU 66 HA GLU 66 10.651 -6.657 9.253 504 HB2 GLU 66 2HB GLU 66 11.978 -8.867 9.140 505 HB3 GLU 66 1HB GLU 66 10.547 -9.626 9.799 506 HG2 GLU 66 2HG GLU 66 9.227 -8.658 7.945 507 HG3 GLU 66 1HG GLU 66 10.719 -8.045 7.238 508 H ILE 67 H ILE 67 8.389 -6.597 8.837 509 HA ILE 67 HA ILE 67 6.600 -8.103 10.645 510 HB ILE 67 HB ILE 67 7.096 -5.971 11.838 511 HG12 ILE 67 2HG1 ILE 67 4.258 -5.981 10.819 512 HG13 ILE 67 1HG1 ILE 67 4.860 -7.237 11.901 513 HG21 ILE 67 1HG2 ILE 67 7.030 -3.976 10.781 514 HG22 ILE 67 2HG2 ILE 67 5.440 -4.322 10.100 515 HG23 ILE 67 3HG2 ILE 67 6.894 -4.879 9.273 516 HD11 ILE 67 1HD1 ILE 67 3.851 -5.553 13.288 517 HD12 ILE 67 2HD1 ILE 67 4.702 -4.263 12.436 518 HD13 ILE 67 3HD1 ILE 67 5.599 -5.383 13.464 519 H VAL 68 H VAL 68 4.288 -7.863 10.004 520 HA VAL 68 HA VAL 68 4.070 -7.511 7.048 521 HB VAL 68 HB VAL 68 2.036 -8.729 8.937 522 HG11 VAL 68 1HG1 VAL 68 2.491 -8.943 5.946 523 HG12 VAL 68 2HG1 VAL 68 1.188 -8.055 6.738 524 HG13 VAL 68 3HG1 VAL 68 1.250 -9.814 6.847 525 HG21 VAL 68 1HG2 VAL 68 3.310 -10.755 7.449 526 HG22 VAL 68 2HG2 VAL 68 3.420 -10.486 9.188 527 HG23 VAL 68 3HG2 VAL 68 4.607 -9.756 8.107 528 H TRP 69 H TRP 69 3.074 -5.652 6.348 529 HA TRP 69 HA TRP 69 1.433 -4.164 8.368 530 HB2 TRP 69 2HB TRP 69 1.952 -2.379 6.329 531 HB3 TRP 69 1HB TRP 69 2.833 -2.489 7.852 532 HD1 TRP 69 HD TRP 69 5.190 -3.664 7.846 533 HE1 TRP 69 1HE TRP 69 6.820 -4.247 5.937 534 HE3 TRP 69 3HE TRP 69 2.065 -3.192 3.844 535 HZ2 TRP 69 2HZ TRP 69 6.798 -4.464 3.082 536 HZ3 TRP 69 3HZ TRP 69 2.894 -3.584 1.544 537 HH2 TRP 69 HH TRP 69 5.258 -4.221 1.170 538 H GLY 70 H GLY 70 0.922 -6.168 5.811 539 HA2 GLY 70 2HA GLY 70 -1.751 -5.033 5.393 540 HA3 GLY 70 1HA GLY 70 -0.721 -4.997 3.965 541 H ARG 71 H ARG 71 -2.683 -6.422 3.333 542 HA ARG 71 HA ARG 71 -1.761 -9.189 3.378 543 HB2 ARG 71 2HB ARG 71 -3.554 -8.583 5.335 544 HB3 ARG 71 1HB ARG 71 -4.645 -9.000 4.019 545 HG2 ARG 71 2HG ARG 71 -3.433 -11.128 3.686 546 HG3 ARG 71 1HG ARG 71 -2.393 -10.733 5.055 547 HD2 ARG 71 2HD ARG 71 -4.146 -12.181 5.868 548 HD3 ARG 71 1HD ARG 71 -4.477 -10.559 6.472 549 HE ARG 71 HE ARG 71 -5.911 -10.638 4.126 550 HH11 ARG 71 1HH1 ARG 71 -8.034 -11.399 3.986 551 HH12 ARG 71 2HH1 ARG 71 -8.606 -12.550 5.147 552 HH21 ARG 71 1HH2 ARG 71 -5.607 -12.687 6.881 553 HH22 ARG 71 2HH2 ARG 71 -7.232 -13.279 6.786 554 H ILE 72 H ILE 72 -3.660 -10.442 2.036 555 HA ILE 72 HA ILE 72 -4.471 -8.660 -0.198 556 HB ILE 72 HB ILE 72 -2.959 -11.256 -0.333 557 HG12 ILE 72 2HG1 ILE 72 -1.771 -9.876 -2.147 558 HG13 ILE 72 1HG1 ILE 72 -2.661 -8.493 -1.516 559 HG21 ILE 72 1HG2 ILE 72 -4.837 -11.667 -1.782 560 HG22 ILE 72 2HG2 ILE 72 -3.456 -11.252 -2.796 561 HG23 ILE 72 3HG2 ILE 72 -4.706 -10.052 -2.482 562 HD11 ILE 72 1HD1 ILE 72 -1.140 -8.271 0.124 563 HD12 ILE 72 2HD1 ILE 72 -0.260 -9.668 -0.494 564 HD13 ILE 72 3HD1 ILE 72 -1.526 -9.884 0.708 565 H LEU 73 H LEU 73 -6.237 -9.768 -1.575 566 HA LEU 73 HA LEU 73 -8.007 -11.379 0.219 567 HB2 LEU 73 2HB LEU 73 -8.569 -9.373 -1.952 568 HB3 LEU 73 1HB LEU 73 -9.802 -10.512 -1.430 569 HG LEU 73 HG LEU 73 -8.305 -8.884 0.609 570 HD11 LEU 73 1HD1 LEU 73 -10.921 -7.904 -0.477 571 HD12 LEU 73 2HD1 LEU 73 -9.434 -7.471 -1.312 572 HD13 LEU 73 3HD1 LEU 73 -9.659 -7.012 0.371 573 HD21 LEU 73 1HD2 LEU 73 -9.648 -10.523 1.634 574 HD22 LEU 73 2HD2 LEU 73 -10.946 -10.339 0.455 575 HD23 LEU 73 3HD2 LEU 73 -10.677 -9.092 1.668 576 H GLU 74 H GLU 74 -7.190 -10.864 -3.197 577 HA GLU 74 HA GLU 74 -6.760 -13.613 -3.829 578 HB2 GLU 74 2HB GLU 74 -9.261 -13.690 -3.412 579 HB3 GLU 74 1HB GLU 74 -9.460 -12.549 -4.742 580 HG2 GLU 74 2HG GLU 74 -8.333 -14.161 -6.262 581 HG3 GLU 74 1HG GLU 74 -8.216 -15.309 -4.929 582 H TRP 75 H TRP 75 -6.359 -13.828 -6.202 583 HA TRP 75 HA TRP 75 -5.737 -11.174 -7.395 584 HB2 TRP 75 2HB TRP 75 -4.267 -12.504 -8.933 585 HB3 TRP 75 1HB TRP 75 -3.826 -12.663 -7.231 586 HD1 TRP 75 HD TRP 75 -4.452 -14.953 -5.999 587 HE1 TRP 75 1HE TRP 75 -4.896 -17.317 -6.923 588 HE3 TRP 75 3HE TRP 75 -5.243 -13.843 -10.921 589 HZ2 TRP 75 2HZ TRP 75 -5.507 -18.573 -9.419 590 HZ3 TRP 75 3HZ TRP 75 -5.754 -15.640 -12.548 591 HH2 TRP 75 HH TRP 75 -5.887 -18.001 -11.805 592 H ASP 76 H ASP 76 -6.856 -10.473 -9.167 593 HA ASP 76 HA ASP 76 -8.908 -12.278 -10.293 594 HB2 ASP 76 2HB ASP 76 -9.007 -9.637 -9.627 595 HB3 ASP 76 1HB ASP 76 -8.676 -9.543 -11.355 596 HA PRO 77 HA PRO 77 -6.109 -13.502 -13.583 597 HB2 PRO 77 2HB PRO 77 -8.566 -13.689 -15.237 598 HB3 PRO 77 1HB PRO 77 -7.308 -14.887 -14.926 599 HG2 PRO 77 2HG PRO 77 -9.769 -14.901 -13.747 600 HG3 PRO 77 1HG PRO 77 -8.325 -15.680 -13.088 601 HD2 PRO 77 2HD PRO 77 -9.750 -13.325 -12.101 602 HD3 PRO 77 1HD PRO 77 -8.493 -14.288 -11.296 603 HA PRO 78 HA PRO 78 -7.405 -10.078 -16.763 604 HB2 PRO 78 2HB PRO 78 -8.922 -8.227 -14.986 605 HB3 PRO 78 1HB PRO 78 -9.250 -8.689 -16.668 606 HG2 PRO 78 2HG PRO 78 -10.759 -9.587 -14.674 607 HG3 PRO 78 1HG PRO 78 -10.356 -10.616 -16.061 608 HD2 PRO 78 2HD PRO 78 -9.183 -10.628 -13.302 609 HD3 PRO 78 1HD PRO 78 -9.597 -12.000 -14.343 610 H HIS 79 H HIS 79 -7.506 -7.240 -15.292 611 HA HIS 79 HA HIS 79 -4.769 -7.473 -14.146 612 HB2 HIS 79 2HB HIS 79 -4.846 -4.922 -14.935 613 HB3 HIS 79 1HB HIS 79 -4.376 -6.206 -16.043 614 HD1 HIS 79 1HD HIS 79 -7.843 -5.098 -14.868 615 HD2 HIS 79 2HD HIS 79 -5.729 -5.736 -18.406 616 HE1 HIS 79 1HE HIS 79 -9.486 -4.731 -16.755 617 HE2 HIS 79 2HE HIS 79 -8.212 -5.117 -18.917 618 H ARG 80 H ARG 80 -6.800 -8.038 -12.519 619 HA ARG 80 HA ARG 80 -7.115 -5.516 -10.946 620 HB2 ARG 80 2HB ARG 80 -9.247 -5.679 -11.945 621 HB3 ARG 80 1HB ARG 80 -9.294 -7.432 -11.771 622 HG2 ARG 80 2HG ARG 80 -9.538 -7.258 -9.370 623 HG3 ARG 80 1HG ARG 80 -9.258 -5.520 -9.420 624 HD2 ARG 80 2HD ARG 80 -11.308 -5.260 -10.798 625 HD3 ARG 80 1HD ARG 80 -11.585 -6.991 -10.649 626 HE ARG 80 HE ARG 80 -12.133 -5.013 -8.602 627 HH11 ARG 80 1HH1 ARG 80 -12.915 -5.812 -6.637 628 HH12 ARG 80 2HH1 ARG 80 -12.753 -7.498 -6.277 629 HH21 ARG 80 1HH2 ARG 80 -11.174 -8.257 -9.269 630 HH22 ARG 80 2HH2 ARG 80 -11.769 -8.882 -7.767 631 H LEU 81 H LEU 81 -6.976 -5.756 -8.769 632 HA LEU 81 HA LEU 81 -6.872 -8.489 -7.631 633 HB2 LEU 81 2HB LEU 81 -4.671 -6.429 -7.391 634 HB3 LEU 81 1HB LEU 81 -4.769 -7.883 -6.404 635 HG LEU 81 HG LEU 81 -5.033 -8.944 -8.899 636 HD11 LEU 81 1HD1 LEU 81 -3.065 -6.656 -9.124 637 HD12 LEU 81 2HD1 LEU 81 -4.651 -6.684 -9.891 638 HD13 LEU 81 3HD1 LEU 81 -3.422 -7.855 -10.366 639 HD21 LEU 81 1HD2 LEU 81 -3.500 -9.919 -7.404 640 HD22 LEU 81 2HD2 LEU 81 -2.645 -8.398 -7.147 641 HD23 LEU 81 3HD2 LEU 81 -2.455 -9.271 -8.668 642 H ALA 82 H ALA 82 -7.859 -8.538 -5.667 643 HA ALA 82 HA ALA 82 -8.500 -5.919 -4.368 644 HB1 ALA 82 1HB ALA 82 -9.759 -8.608 -3.747 645 HB2 ALA 82 2HB ALA 82 -10.385 -7.559 -5.019 646 HB3 ALA 82 3HB ALA 82 -10.376 -7.006 -3.344 647 H MET 83 H MET 83 -7.941 -5.755 -2.039 648 HA MET 83 HA MET 83 -6.412 -8.068 -1.021 649 HB2 MET 83 2HB MET 83 -4.673 -6.148 -0.308 650 HB3 MET 83 1HB MET 83 -4.524 -7.064 -1.808 651 HG2 MET 83 2HG MET 83 -5.731 -5.315 -3.028 652 HG3 MET 83 1HG MET 83 -5.968 -4.411 -1.531 653 HE1 MET 83 1HE MET 83 -3.802 -5.775 -4.168 654 HE2 MET 83 2HE MET 83 -2.669 -6.359 -2.952 655 HE3 MET 83 3HE MET 83 -2.205 -5.031 -4.012 656 H THR 84 H THR 84 -6.179 -8.216 1.204 657 HA THR 84 HA THR 84 -7.806 -6.244 2.767 658 HB THR 84 HB THR 84 -6.862 -9.035 3.526 659 HG1 THR 84 1HG THR 84 -9.532 -8.296 3.222 660 HG21 THR 84 1HG2 THR 84 -8.605 -7.005 4.940 661 HG22 THR 84 2HG2 THR 84 -7.067 -7.664 5.499 662 HG23 THR 84 3HG2 THR 84 -8.493 -8.698 5.418 663 H TRP 85 H TRP 85 -6.752 -5.218 4.586 664 HA TRP 85 HA TRP 85 -3.780 -5.408 4.423 665 HB2 TRP 85 2HB TRP 85 -5.697 -3.246 5.215 666 HB3 TRP 85 1HB TRP 85 -4.056 -3.218 5.862 667 HD1 TRP 85 HD TRP 85 -4.964 -4.435 2.334 668 HE1 TRP 85 1HE TRP 85 -3.797 -2.907 0.618 669 HE3 TRP 85 3HE TRP 85 -3.004 -0.920 5.477 670 HZ2 TRP 85 2HZ TRP 85 -2.238 -0.509 0.583 671 HZ3 TRP 85 3HZ TRP 85 -1.685 0.975 4.576 672 HH2 TRP 85 HH TRP 85 -1.300 1.185 2.135 673 H ARG 86 H ARG 86 -2.668 -6.352 6.074 674 HA ARG 86 HA ARG 86 -4.070 -6.621 8.713 675 HB2 ARG 86 2HB ARG 86 -3.586 -8.793 7.598 676 HB3 ARG 86 1HB ARG 86 -1.874 -8.371 7.555 677 HG2 ARG 86 2HG ARG 86 -1.913 -8.161 10.048 678 HG3 ARG 86 1HG ARG 86 -3.585 -8.720 10.035 679 HD2 ARG 86 2HD ARG 86 -1.218 -10.271 8.944 680 HD3 ARG 86 1HD ARG 86 -2.007 -10.576 10.492 681 HE ARG 86 HE ARG 86 -4.005 -10.664 8.478 682 HH11 ARG 86 1HH1 ARG 86 -4.693 -12.673 7.704 683 HH12 ARG 86 2HH1 ARG 86 -3.670 -14.058 7.897 684 HH21 ARG 86 1HH2 ARG 86 -1.152 -12.302 9.509 685 HH22 ARG 86 2HH2 ARG 86 -1.666 -13.847 8.920 686 H ILE 87 H ILE 87 -3.271 -4.898 9.889 687 HA ILE 87 HA ILE 87 -0.314 -4.766 10.189 688 HB ILE 87 HB ILE 87 -1.144 -3.030 8.538 689 HG12 ILE 87 2HG1 ILE 87 -0.100 -1.673 11.015 690 HG13 ILE 87 1HG1 ILE 87 0.900 -2.856 10.170 691 HG21 ILE 87 1HG2 ILE 87 -2.748 -1.518 9.105 692 HG22 ILE 87 2HG2 ILE 87 -2.148 -1.357 10.754 693 HG23 ILE 87 3HG2 ILE 87 -3.191 -2.712 10.325 694 HD11 ILE 87 1HD1 ILE 87 0.768 -1.593 8.112 695 HD12 ILE 87 2HD1 ILE 87 1.264 -0.489 9.393 696 HD13 ILE 87 3HD1 ILE 87 -0.403 -0.482 8.813 697 H ASP 88 H ASP 88 0.344 -3.679 12.196 698 HA ASP 88 HA ASP 88 -1.692 -4.055 14.324 699 HB2 ASP 88 2HB ASP 88 1.292 -3.634 14.503 700 HB3 ASP 88 1HB ASP 88 0.229 -3.945 15.870 701 H GLY 89 H GLY 89 -1.771 -2.402 16.062 702 HA2 GLY 89 2HA GLY 89 -2.180 0.227 15.008 703 HA3 GLY 89 1HA GLY 89 -2.156 -0.182 16.724 704 H HIS 90 H HIS 90 0.473 -1.141 16.957 705 HA HIS 90 HA HIS 90 2.024 1.367 16.456 706 HB2 HIS 90 2HB HIS 90 1.665 -0.300 18.789 707 HB3 HIS 90 1HB HIS 90 3.371 -0.251 18.356 708 HD1 HIS 90 1HD HIS 90 1.026 1.574 20.306 709 HD2 HIS 90 2HD HIS 90 4.107 2.674 17.716 710 HE1 HIS 90 1HE HIS 90 1.617 3.975 20.873 711 HE2 HIS 90 2HE HIS 90 3.489 4.655 19.302 712 H TRP 91 H TRP 91 1.740 -0.713 14.456 713 HA TRP 91 HA TRP 91 3.080 -2.011 13.031 714 HB2 TRP 91 2HB TRP 91 5.271 -0.400 14.388 715 HB3 TRP 91 1HB TRP 91 5.500 -1.402 12.961 716 HD1 TRP 91 HD TRP 91 3.787 -0.728 10.833 717 HE1 TRP 91 1HE TRP 91 3.218 1.638 9.986 718 HE3 TRP 91 3HE TRP 91 4.985 2.012 14.959 719 HZ2 TRP 91 2HZ TRP 91 3.277 4.341 10.941 720 HZ3 TRP 91 3HZ TRP 91 4.730 4.470 14.973 721 HH2 TRP 91 HH TRP 91 3.873 5.641 12.964 722 H GLN 92 H GLN 92 2.445 -2.856 15.834 723 HA GLN 92 HA GLN 92 3.653 -5.364 15.914 724 HB2 GLN 92 2HB GLN 92 5.215 -4.913 17.955 725 HB3 GLN 92 1HB GLN 92 5.824 -4.611 16.328 726 HG2 GLN 92 2HG GLN 92 5.692 -2.321 16.554 727 HG3 GLN 92 1HG GLN 92 4.420 -2.394 17.778 728 HE21 GLN 92 1HE2 GLN 92 6.642 -0.780 18.316 729 HE22 GLN 92 2HE2 GLN 92 7.609 -1.503 19.509 730 H SER 93 H SER 93 1.301 -5.400 16.521 731 HA SER 93 HA SER 93 0.976 -4.945 19.467 732 HB2 SER 93 2HB SER 93 -0.350 -3.369 17.997 733 HB3 SER 93 1HB SER 93 -1.231 -4.776 17.401 734 HG SER 93 HG SER 93 -2.012 -5.133 19.433 735 H VAL 94 H VAL 94 -1.139 -6.542 17.086 736 HA VAL 94 HA VAL 94 -0.760 -9.083 18.622 737 HB VAL 94 HB VAL 94 -3.196 -9.519 18.157 738 HG11 VAL 94 1HG1 VAL 94 -4.009 -7.992 19.896 739 HG12 VAL 94 2HG1 VAL 94 -2.598 -6.958 19.668 740 HG13 VAL 94 3HG1 VAL 94 -2.403 -8.585 20.321 741 HG21 VAL 94 1HG2 VAL 94 -3.204 -7.827 16.219 742 HG22 VAL 94 2HG2 VAL 94 -3.314 -6.578 17.458 743 HG23 VAL 94 3HG2 VAL 94 -4.593 -7.782 17.305 744 HA PRO 95 HA PRO 95 0.146 -10.984 14.724 745 HB2 PRO 95 2HB PRO 95 -1.066 -13.454 15.102 746 HB3 PRO 95 1HB PRO 95 0.541 -13.011 15.703 747 HG2 PRO 95 2HG PRO 95 -2.055 -13.109 17.137 748 HG3 PRO 95 1HG PRO 95 -0.426 -13.504 17.712 749 HD2 PRO 95 2HD PRO 95 -1.674 -11.180 18.372 750 HD3 PRO 95 1HD PRO 95 0.089 -11.293 18.189 751 H ASP 96 H ASP 96 -3.197 -11.195 15.875 752 HA ASP 96 HA ASP 96 -4.115 -11.291 13.032 753 HB2 ASP 96 2HB ASP 96 -5.540 -12.015 15.599 754 HB3 ASP 96 1HB ASP 96 -6.306 -12.007 14.010 755 H ASP 97 H ASP 97 -5.626 -9.709 12.330 756 HA ASP 97 HA ASP 97 -5.768 -7.322 14.100 757 HB2 ASP 97 2HB ASP 97 -6.020 -7.648 11.105 758 HB3 ASP 97 1HB ASP 97 -6.310 -6.132 11.958 759 H ASP 98 H ASP 98 -7.671 -7.039 15.110 760 HA ASP 98 HA ASP 98 -10.122 -8.300 14.070 761 HB2 ASP 98 2HB ASP 98 -9.526 -6.696 16.563 762 HB3 ASP 98 1HB ASP 98 -11.107 -7.377 16.186 763 H ARG 99 H ARG 99 -8.433 -5.432 13.764 764 HA ARG 99 HA ARG 99 -10.873 -3.890 13.054 765 HB2 ARG 99 2HB ARG 99 -9.217 -1.915 13.282 766 HB3 ARG 99 1HB ARG 99 -9.774 -2.689 14.767 767 HG2 ARG 99 2HG ARG 99 -7.718 -4.101 14.759 768 HG3 ARG 99 1HG ARG 99 -7.155 -3.231 13.330 769 HD2 ARG 99 2HD ARG 99 -7.317 -1.097 14.650 770 HD3 ARG 99 1HD ARG 99 -7.692 -2.065 16.075 771 HE ARG 99 HE ARG 99 -5.061 -1.829 14.799 772 HH11 ARG 99 1HH1 ARG 99 -3.385 -2.875 15.897 773 HH12 ARG 99 2HH1 ARG 99 -3.764 -3.997 17.160 774 HH21 ARG 99 1HH2 ARG 99 -7.194 -3.599 16.848 775 HH22 ARG 99 2HH2 ARG 99 -5.921 -4.408 17.699 776 H ALA 100 H ALA 100 -9.647 -5.802 11.270 777 HA ALA 100 HA ALA 100 -8.010 -4.253 9.386 778 HB1 ALA 100 1HB ALA 100 -8.304 -6.967 9.949 779 HB2 ALA 100 2HB ALA 100 -7.400 -6.281 8.599 780 HB3 ALA 100 3HB ALA 100 -9.078 -6.775 8.376 781 H SER 101 H SER 101 -8.677 -3.827 7.193 782 HA SER 101 HA SER 101 -11.646 -3.713 6.829 783 HB2 SER 101 2HB SER 101 -10.517 -1.495 7.317 784 HB3 SER 101 1HB SER 101 -9.657 -1.687 5.790 785 HG SER 101 HG SER 101 -12.195 -2.199 5.321 786 H GLU 102 H GLU 102 -12.181 -3.362 4.400 787 HA GLU 102 HA GLU 102 -10.455 -5.222 2.825 788 HB2 GLU 102 2HB GLU 102 -12.867 -5.845 3.251 789 HB3 GLU 102 1HB GLU 102 -13.326 -4.443 2.286 790 HG2 GLU 102 2HG GLU 102 -11.972 -5.366 0.394 791 HG3 GLU 102 1HG GLU 102 -11.689 -6.812 1.362 792 H ILE 103 H ILE 103 -9.630 -4.559 0.862 793 HA ILE 103 HA ILE 103 -10.384 -1.819 -0.078 794 HB ILE 103 HB ILE 103 -7.606 -3.036 -0.071 795 HG12 ILE 103 2HG1 ILE 103 -8.730 -0.718 1.533 796 HG13 ILE 103 1HG1 ILE 103 -8.469 -2.341 2.178 797 HG21 ILE 103 1HG2 ILE 103 -8.821 -0.862 -1.545 798 HG22 ILE 103 2HG2 ILE 103 -7.180 -1.500 -1.664 799 HG23 ILE 103 3HG2 ILE 103 -7.556 -0.245 -0.483 800 HD11 ILE 103 1HD1 ILE 103 -6.035 -2.038 1.280 801 HD12 ILE 103 2HD1 ILE 103 -6.491 -1.233 2.782 802 HD13 ILE 103 3HD1 ILE 103 -6.431 -0.318 1.274 803 H GLU 104 H GLU 104 -10.759 -1.662 -2.264 804 HA GLU 104 HA GLU 104 -10.288 -4.137 -3.886 805 HB2 GLU 104 2HB GLU 104 -12.683 -3.471 -3.559 806 HB3 GLU 104 1HB GLU 104 -12.327 -1.945 -4.369 807 HG2 GLU 104 2HG GLU 104 -11.560 -3.225 -6.367 808 HG3 GLU 104 1HG GLU 104 -12.038 -4.718 -5.560 809 H VAL 105 H VAL 105 -8.881 -3.930 -5.575 810 HA VAL 105 HA VAL 105 -8.336 -1.189 -6.620 811 HB VAL 105 HB VAL 105 -6.238 -3.324 -6.152 812 HG11 VAL 105 1HG1 VAL 105 -5.704 -1.798 -7.983 813 HG12 VAL 105 2HG1 VAL 105 -4.690 -1.418 -6.591 814 HG13 VAL 105 3HG1 VAL 105 -6.084 -0.406 -6.967 815 HG21 VAL 105 1HG2 VAL 105 -6.351 -2.668 -3.986 816 HG22 VAL 105 2HG2 VAL 105 -7.411 -1.313 -4.373 817 HG23 VAL 105 3HG2 VAL 105 -5.663 -1.139 -4.534 818 H ASP 106 H ASP 106 -8.359 -1.086 -8.839 819 HA ASP 106 HA ASP 106 -8.319 -3.685 -10.328 820 HB2 ASP 106 2HB ASP 106 -9.857 -1.155 -10.984 821 HB3 ASP 106 1HB ASP 106 -9.818 -2.612 -11.982 822 H PHE 107 H PHE 107 -6.783 -3.826 -11.928 823 HA PHE 107 HA PHE 107 -5.357 -1.309 -12.639 824 HB2 PHE 107 2HB PHE 107 -4.313 -4.159 -12.664 825 HB3 PHE 107 1HB PHE 107 -3.420 -2.736 -13.160 826 HD1 PHE 107 1HD PHE 107 -4.979 -4.459 -10.286 827 HD2 PHE 107 2HD PHE 107 -2.515 -1.190 -11.566 828 HE1 PHE 107 1HE PHE 107 -4.290 -4.062 -7.936 829 HE2 PHE 107 2HE PHE 107 -1.826 -0.786 -9.217 830 HZ PHE 107 HZ PHE 107 -2.710 -2.226 -7.401 831 H VAL 108 H VAL 108 -5.108 -0.804 -14.759 832 HA VAL 108 HA VAL 108 -6.164 -2.682 -16.816 833 HB VAL 108 HB VAL 108 -6.655 0.253 -17.070 834 HG11 VAL 108 1HG1 VAL 108 -7.155 -1.202 -18.957 835 HG12 VAL 108 2HG1 VAL 108 -8.667 -0.615 -18.265 836 HG13 VAL 108 3HG1 VAL 108 -8.121 -2.257 -17.925 837 HG21 VAL 108 1HG2 VAL 108 -7.464 -0.242 -14.820 838 HG22 VAL 108 2HG2 VAL 108 -8.307 -1.674 -15.411 839 HG23 VAL 108 3HG2 VAL 108 -8.844 -0.069 -15.906 840 HA PRO 109 HA PRO 109 -2.157 -1.198 -18.355 841 HB2 PRO 109 2HB PRO 109 -1.791 -3.037 -20.301 842 HB3 PRO 109 1HB PRO 109 -1.568 -3.420 -18.583 843 HG2 PRO 109 2HG PRO 109 -3.840 -4.055 -20.381 844 HG3 PRO 109 1HG PRO 109 -3.127 -5.015 -19.077 845 HD2 PRO 109 2HD PRO 109 -5.463 -3.519 -18.842 846 HD3 PRO 109 1HD PRO 109 -4.455 -4.046 -17.474 847 H ASN 110 H ASN 110 -1.784 0.361 -19.826 848 HA ASN 110 HA ASN 110 -3.560 0.520 -22.210 849 HB2 ASN 110 2HB ASN 110 -3.916 2.326 -20.514 850 HB3 ASN 110 1HB ASN 110 -2.239 2.805 -20.751 851 HD21 ASN 110 1HD2 ASN 110 -3.486 4.907 -21.457 852 HD22 ASN 110 2HD2 ASN 110 -3.904 5.012 -23.100 853 H GLY 111 H GLY 111 -2.528 0.983 -24.199 854 HA2 GLY 111 2HA GLY 111 0.252 0.200 -24.368 855 HA3 GLY 111 1HA GLY 111 -0.730 0.796 -25.708 856 H SER 112 H SER 112 1.593 1.826 -25.987 857 HA SER 112 HA SER 112 2.841 3.811 -26.042 858 HB2 SER 112 2HB SER 112 0.823 5.534 -24.822 859 HB3 SER 112 1HB SER 112 1.536 5.613 -26.430 860 HG SER 112 HG SER 112 -0.569 5.098 -26.751 861 H GLY 113 H GLY 113 2.298 2.167 -23.412 862 HA2 GLY 113 2HA GLY 113 3.332 2.245 -21.292 863 HA3 GLY 113 1HA GLY 113 4.065 3.783 -21.764 864 H GLY 114 H GLY 114 0.875 2.428 -20.866 865 HA2 GLY 114 2HA GLY 114 0.457 4.813 -19.159 866 HA3 GLY 114 1HA GLY 114 -0.766 4.449 -20.370 867 H THR 115 H THR 115 -0.690 4.330 -17.300 868 HA THR 115 HA THR 115 -1.921 1.624 -17.091 869 HB THR 115 HB THR 115 -0.737 2.512 -14.590 870 HG1 THR 115 1HG THR 115 0.687 3.299 -16.460 871 HG21 THR 115 1HG2 THR 115 0.384 0.231 -14.836 872 HG22 THR 115 2HG2 THR 115 -0.509 0.061 -16.344 873 HG23 THR 115 3HG2 THR 115 -1.378 0.238 -14.820 874 H ARG 116 H ARG 116 -4.007 1.876 -16.466 875 HA ARG 116 HA ARG 116 -4.712 4.325 -14.908 876 HB2 ARG 116 2HB ARG 116 -5.919 3.887 -17.093 877 HB3 ARG 116 1HB ARG 116 -6.583 2.424 -16.360 878 HG2 ARG 116 2HG ARG 116 -6.911 4.775 -14.648 879 HG3 ARG 116 1HG ARG 116 -7.708 4.958 -16.211 880 HD2 ARG 116 2HD ARG 116 -8.010 2.488 -14.495 881 HD3 ARG 116 1HD ARG 116 -9.112 3.862 -14.397 882 HE ARG 116 HE ARG 116 -8.871 3.036 -17.130 883 HH11 ARG 116 1HH1 ARG 116 -10.570 1.847 -18.028 884 HH12 ARG 116 2HH1 ARG 116 -11.691 1.040 -16.983 885 HH21 ARG 116 1HH2 ARG 116 -10.142 2.096 -14.066 886 HH22 ARG 116 2HH2 ARG 116 -11.449 1.181 -14.740 887 H VAL 117 H VAL 117 -4.913 3.941 -12.753 888 HA VAL 117 HA VAL 117 -5.816 1.217 -11.899 889 HB VAL 117 HB VAL 117 -3.906 3.071 -10.458 890 HG11 VAL 117 1HG1 VAL 117 -4.787 0.223 -9.889 891 HG12 VAL 117 2HG1 VAL 117 -5.264 1.648 -8.964 892 HG13 VAL 117 3HG1 VAL 117 -3.580 1.123 -8.973 893 HG21 VAL 117 1HG2 VAL 117 -3.538 0.721 -12.297 894 HG22 VAL 117 2HG2 VAL 117 -2.378 0.992 -10.998 895 HG23 VAL 117 3HG2 VAL 117 -2.629 2.230 -12.228 896 H GLU 118 H GLU 118 -7.404 1.106 -10.384 897 HA GLU 118 HA GLU 118 -8.422 3.699 -9.285 898 HB2 GLU 118 2HB GLU 118 -10.011 1.228 -10.058 899 HB3 GLU 118 1HB GLU 118 -10.683 2.691 -9.339 900 HG2 GLU 118 2HG GLU 118 -9.850 4.000 -11.284 901 HG3 GLU 118 1HG GLU 118 -9.272 2.502 -12.016 902 H LEU 119 H LEU 119 -7.643 3.646 -7.206 903 HA LEU 119 HA LEU 119 -7.928 1.102 -5.681 904 HB2 LEU 119 2HB LEU 119 -5.645 2.215 -5.893 905 HB3 LEU 119 1HB LEU 119 -6.294 3.530 -4.918 906 HG LEU 119 HG LEU 119 -6.690 0.784 -3.838 907 HD11 LEU 119 1HD1 LEU 119 -4.359 0.731 -4.729 908 HD12 LEU 119 2HD1 LEU 119 -4.412 0.659 -2.967 909 HD13 LEU 119 3HD1 LEU 119 -3.993 2.169 -3.776 910 HD21 LEU 119 1HD2 LEU 119 -5.837 3.459 -2.685 911 HD22 LEU 119 2HD2 LEU 119 -6.100 1.999 -1.734 912 HD23 LEU 119 3HD2 LEU 119 -7.446 2.747 -2.591 913 H ALA 120 H ALA 120 -9.410 1.035 -4.049 914 HA ALA 120 HA ALA 120 -10.417 3.635 -2.971 915 HB1 ALA 120 1HB ALA 120 -12.363 1.410 -3.122 916 HB2 ALA 120 2HB ALA 120 -11.896 2.105 -4.674 917 HB3 ALA 120 3HB ALA 120 -12.596 3.132 -3.420 918 H HIS 121 H HIS 121 -9.875 3.639 -0.846 919 HA HIS 121 HA HIS 121 -9.868 1.044 0.626 920 HB2 HIS 121 2HB HIS 121 -8.217 1.898 1.988 921 HB3 HIS 121 1HB HIS 121 -7.903 2.884 0.563 922 HD1 HIS 121 1HD HIS 121 -9.910 3.056 3.791 923 HD2 HIS 121 2HD HIS 121 -8.112 5.607 1.037 924 HE1 HIS 121 1HE HIS 121 -10.095 5.385 4.760 925 HE2 HIS 121 2HE HIS 121 -9.017 6.954 3.080 926 H VAL 122 H VAL 122 -11.586 0.660 1.956 927 HA VAL 122 HA VAL 122 -13.143 3.022 2.918 928 HB VAL 122 HB VAL 122 -15.208 1.700 2.491 929 HG11 VAL 122 1HG1 VAL 122 -13.499 2.993 0.635 930 HG12 VAL 122 2HG1 VAL 122 -15.245 2.777 0.520 931 HG13 VAL 122 3HG1 VAL 122 -14.161 1.578 -0.184 932 HG21 VAL 122 1HG2 VAL 122 -13.539 -0.472 2.407 933 HG22 VAL 122 2HG2 VAL 122 -13.742 -0.147 0.686 934 HG23 VAL 122 3HG2 VAL 122 -15.153 -0.456 1.695 935 H LYS 123 H LYS 123 -14.473 2.629 4.796 936 HA LYS 123 HA LYS 123 -14.762 1.941 7.004 937 HB2 LYS 123 2HB LYS 123 -14.153 -0.741 5.731 938 HB3 LYS 123 1HB LYS 123 -14.738 -0.538 7.380 939 HG2 LYS 123 2HG LYS 123 -16.791 -0.739 6.401 940 HG3 LYS 123 1HG LYS 123 -16.562 0.973 6.040 941 HD2 LYS 123 2HD LYS 123 -15.285 -0.002 3.930 942 HD3 LYS 123 1HD LYS 123 -16.318 -1.394 4.232 943 HE2 LYS 123 2HE LYS 123 -17.227 1.465 3.797 944 HE3 LYS 123 1HE LYS 123 -17.452 0.112 2.688 945 HZ1 LYS 123 1HZ LYS 123 -19.100 -0.760 3.934 946 HZ2 LYS 123 2HZ LYS 123 -19.286 0.853 4.438 947 HZ3 LYS 123 3HZ LYS 123 -18.429 -0.251 5.406 948 H LEU 124 H LEU 124 -12.029 2.766 6.177 949 HA LEU 124 HA LEU 124 -10.181 1.027 7.583 950 HB2 LEU 124 2HB LEU 124 -10.046 3.782 6.407 951 HB3 LEU 124 1HB LEU 124 -8.783 3.257 7.521 952 HG LEU 124 HG LEU 124 -8.336 2.803 5.058 953 HD11 LEU 124 1HD1 LEU 124 -8.179 0.113 5.983 954 HD12 LEU 124 2HD1 LEU 124 -7.914 1.168 7.370 955 HD13 LEU 124 3HD1 LEU 124 -6.896 1.321 5.939 956 HD21 LEU 124 1HD2 LEU 124 -10.215 0.477 5.390 957 HD22 LEU 124 2HD2 LEU 124 -9.546 1.154 3.909 958 HD23 LEU 124 3HD2 LEU 124 -10.808 2.017 4.780 959 H HIS 125 H HIS 125 -11.998 3.955 8.341 960 HA HIS 125 HA HIS 125 -10.986 4.711 10.804 961 HB2 HIS 125 2HB HIS 125 -12.788 5.999 10.029 962 HB3 HIS 125 1HB HIS 125 -13.805 4.582 9.779 963 HD1 HIS 125 1HD HIS 125 -11.878 5.707 12.878 964 HD2 HIS 125 2HD HIS 125 -15.777 4.794 11.709 965 HE1 HIS 125 1HE HIS 125 -13.303 5.833 14.969 966 HE2 HIS 125 2HE HIS 125 -15.679 5.285 14.269 967 H ARG 126 H ARG 126 -12.242 1.675 10.015 968 HA ARG 126 HA ARG 126 -13.455 0.781 12.377 969 HB2 ARG 126 2HB ARG 126 -13.189 -0.588 10.313 970 HB3 ARG 126 1HB ARG 126 -11.480 -0.774 10.697 971 HG2 ARG 126 2HG ARG 126 -12.110 -1.802 12.877 972 HG3 ARG 126 1HG ARG 126 -13.807 -1.699 12.402 973 HD2 ARG 126 2HD ARG 126 -11.660 -3.206 10.882 974 HD3 ARG 126 1HD ARG 126 -12.866 -3.943 11.936 975 HE ARG 126 HE ARG 126 -13.324 -3.009 9.224 976 HH11 ARG 126 1HH1 ARG 126 -15.442 -3.202 8.456 977 HH12 ARG 126 2HH1 ARG 126 -16.734 -3.465 9.578 978 HH21 ARG 126 1HH2 ARG 126 -14.670 -3.463 12.365 979 HH22 ARG 126 2HH2 ARG 126 -16.298 -3.613 11.791 980 H HIS 127 H HIS 127 -10.023 1.380 11.725 981 HA HIS 127 HA HIS 127 -9.185 0.158 14.242 982 HB2 HIS 127 2HB HIS 127 -7.024 1.556 13.678 983 HB3 HIS 127 1HB HIS 127 -7.411 0.121 12.737 984 HD1 HIS 127 1HD HIS 127 -9.226 3.400 12.287 985 HD2 HIS 127 2HD HIS 127 -6.338 1.117 10.335 986 HE1 HIS 127 1HE HIS 127 -8.895 4.444 10.006 987 HE2 HIS 127 2HE HIS 127 -7.136 3.074 8.812 988 H GLY 128 H GLY 128 -10.547 3.160 13.359 989 HA2 GLY 128 2HA GLY 128 -11.273 4.809 14.927 990 HA3 GLY 128 1HA GLY 128 -10.181 4.114 16.125 991 H ASP 129 H ASP 129 -9.672 6.494 16.430 992 HA ASP 129 HA ASP 129 -8.205 7.882 14.349 993 HB2 ASP 129 2HB ASP 129 -7.728 9.540 16.086 994 HB3 ASP 129 1HB ASP 129 -9.426 9.068 16.161 995 H GLY 130 H GLY 130 -5.902 8.516 14.580 996 HA2 GLY 130 2HA GLY 130 -3.649 8.114 15.276 997 HA3 GLY 130 1HA GLY 130 -4.224 6.764 16.265 998 H ALA 131 H ALA 131 -5.798 6.277 13.509 999 HA ALA 131 HA ALA 131 -4.224 4.052 12.673 1000 HB1 ALA 131 1HB ALA 131 -5.738 4.097 10.674 1001 HB2 ALA 131 2HB ALA 131 -6.417 5.602 11.290 1002 HB3 ALA 131 3HB ALA 131 -6.588 4.117 12.218 1003 H TRP 132 H TRP 132 -4.592 7.343 11.280 1004 HA TRP 132 HA TRP 132 -2.957 6.890 9.019 1005 HB2 TRP 132 2HB TRP 132 -4.334 8.974 9.470 1006 HB3 TRP 132 1HB TRP 132 -3.020 9.514 10.518 1007 HD1 TRP 132 HD TRP 132 -0.615 9.881 9.354 1008 HE1 TRP 132 1HE TRP 132 0.001 10.493 6.928 1009 HE3 TRP 132 3HE TRP 132 -5.029 8.762 6.998 1010 HZ2 TRP 132 2HZ TRP 132 -1.203 10.504 4.346 1011 HZ3 TRP 132 3HZ TRP 132 -5.251 9.089 4.555 1012 HH2 TRP 132 HH TRP 132 -3.349 9.960 3.225 1013 H ASN 133 H ASN 133 -2.073 7.540 12.375 1014 HA ASN 133 HA ASN 133 0.662 8.182 11.978 1015 HB2 ASN 133 2HB ASN 133 -0.643 6.514 14.155 1016 HB3 ASN 133 1HB ASN 133 1.021 7.090 14.217 1017 HD21 ASN 133 1HD2 ASN 133 -0.930 7.911 16.163 1018 HD22 ASN 133 2HD2 ASN 133 -1.220 9.570 15.954 1019 H ILE 134 H ILE 134 -1.027 5.071 12.056 1020 HA ILE 134 HA ILE 134 1.244 3.381 11.720 1021 HB ILE 134 HB ILE 134 -1.552 3.015 10.622 1022 HG12 ILE 134 2HG1 ILE 134 -0.401 2.103 13.274 1023 HG13 ILE 134 1HG1 ILE 134 -1.463 3.502 13.086 1024 HG21 ILE 134 1HG2 ILE 134 0.561 0.999 11.390 1025 HG22 ILE 134 2HG2 ILE 134 0.205 1.499 9.738 1026 HG23 ILE 134 3HG2 ILE 134 -1.017 0.651 10.685 1027 HD11 ILE 134 1HD1 ILE 134 -3.027 1.780 11.848 1028 HD12 ILE 134 2HD1 ILE 134 -3.004 1.833 13.610 1029 HD13 ILE 134 3HD1 ILE 134 -2.097 0.586 12.753 1030 H HIS 135 H HIS 135 -0.912 5.066 9.486 1031 HA HIS 135 HA HIS 135 0.291 4.211 7.034 1032 HB2 HIS 135 2HB HIS 135 -1.936 5.299 7.141 1033 HB3 HIS 135 1HB HIS 135 -1.168 6.799 7.653 1034 HD1 HIS 135 1HD HIS 135 1.172 5.527 5.401 1035 HD2 HIS 135 2HD HIS 135 -2.565 7.300 4.910 1036 HE1 HIS 135 1HE HIS 135 1.100 6.349 3.011 1037 HE2 HIS 135 2HE HIS 135 -1.187 7.421 2.687 1038 H LYS 136 H LYS 136 1.051 6.756 9.345 1039 HA LYS 136 HA LYS 136 2.773 8.348 7.796 1040 HB2 LYS 136 2HB LYS 136 2.125 8.746 10.216 1041 HB3 LYS 136 1HB LYS 136 3.320 7.537 10.652 1042 HG2 LYS 136 2HG LYS 136 5.061 8.848 9.520 1043 HG3 LYS 136 1HG LYS 136 3.868 10.077 9.124 1044 HD2 LYS 136 2HD LYS 136 3.408 10.335 11.577 1045 HD3 LYS 136 1HD LYS 136 4.745 9.230 11.896 1046 HE2 LYS 136 2HE LYS 136 4.806 12.040 10.900 1047 HE3 LYS 136 1HE LYS 136 5.905 11.216 12.006 1048 HZ1 LYS 136 1HZ LYS 136 7.125 11.459 10.059 1049 HZ2 LYS 136 2HZ LYS 136 5.808 11.076 9.057 1050 HZ3 LYS 136 3HZ LYS 136 6.567 9.860 9.969 1051 H ALA 137 H ALA 137 3.329 5.197 9.318 1052 HA ALA 137 HA ALA 137 6.156 5.090 8.707 1053 HB1 ALA 137 1HB ALA 137 4.057 3.025 9.286 1054 HB2 ALA 137 2HB ALA 137 5.518 3.405 10.201 1055 HB3 ALA 137 3HB ALA 137 5.631 2.517 8.684 1056 H LEU 138 H LEU 138 3.221 4.009 7.022 1057 HA LEU 138 HA LEU 138 4.615 3.017 4.699 1058 HB2 LEU 138 2HB LEU 138 1.761 4.015 4.975 1059 HB3 LEU 138 1HB LEU 138 2.394 3.097 3.614 1060 HG LEU 138 HG LEU 138 2.276 2.140 6.488 1061 HD11 LEU 138 1HD1 LEU 138 0.087 2.263 5.239 1062 HD12 LEU 138 2HD1 LEU 138 0.552 0.629 5.714 1063 HD13 LEU 138 3HD1 LEU 138 0.771 1.157 4.047 1064 HD21 LEU 138 1HD2 LEU 138 2.797 -0.073 5.102 1065 HD22 LEU 138 2HD2 LEU 138 4.104 0.984 5.638 1066 HD23 LEU 138 3HD2 LEU 138 3.520 1.077 3.977 1067 H ASP 139 H ASP 139 3.584 6.143 5.821 1068 HA ASP 139 HA ASP 139 4.288 8.255 5.043 1069 HB2 ASP 139 2HB ASP 139 6.123 6.624 3.882 1070 HB3 ASP 139 1HB ASP 139 5.330 7.293 2.458 1071 H GLY 140 H GLY 140 2.381 9.240 4.578 1072 HA2 GLY 140 2HA GLY 140 1.223 8.766 1.864 1073 HA3 GLY 140 1HA GLY 140 0.209 9.055 3.279 1074 HA PRO 141 HA PRO 141 2.805 13.144 2.229 1075 HB2 PRO 141 2HB PRO 141 2.769 12.739 -0.719 1076 HB3 PRO 141 1HB PRO 141 4.038 13.426 0.310 1077 HG2 PRO 141 2HG PRO 141 4.249 10.985 -0.735 1078 HG3 PRO 141 1HG PRO 141 4.884 11.378 0.871 1079 HD2 PRO 141 2HD PRO 141 2.445 9.813 0.145 1080 HD3 PRO 141 1HD PRO 141 3.528 9.639 1.542 1081 H SER 142 H SER 142 1.683 15.069 1.766 1082 HA SER 142 HA SER 142 -1.115 14.684 0.866 1083 HB2 SER 142 2HB SER 142 -1.557 16.184 2.481 1084 HB3 SER 142 1HB SER 142 0.164 16.292 2.839 1085 HG SER 142 HG SER 142 -0.650 18.319 2.243 1086 HA PRO 143 HA PRO 143 0.733 18.334 -1.894 1087 HB2 PRO 143 2HB PRO 143 3.512 17.292 -2.087 1088 HB3 PRO 143 1HB PRO 143 2.940 18.966 -1.938 1089 HG2 PRO 143 2HG PRO 143 4.084 17.698 0.105 1090 HG3 PRO 143 1HG PRO 143 2.750 18.839 0.347 1091 HD2 PRO 143 2HD PRO 143 2.711 15.846 0.432 1092 HD3 PRO 143 1HD PRO 143 1.788 17.014 1.405 1093 H GLY 144 H GLY 144 1.626 14.946 -2.005 1094 HA2 GLY 144 2HA GLY 144 0.928 14.927 -4.899 1095 HA3 GLY 144 1HA GLY 144 2.381 14.092 -4.344 1096 H GLU 145 H GLU 145 0.607 12.511 -5.579 1097 HA GLU 145 HA GLU 145 -1.016 11.223 -3.444 1098 HB2 GLU 145 2HB GLU 145 -1.104 10.876 -6.445 1099 HB3 GLU 145 1HB GLU 145 -2.170 10.069 -5.298 1100 HG2 GLU 145 2HG GLU 145 -1.935 13.074 -5.633 1101 HG3 GLU 145 1HG GLU 145 -3.234 12.083 -6.295 1102 H THR 146 H THR 146 -1.005 8.787 -3.496 1103 HA THR 146 HA THR 146 1.617 7.752 -3.219 1104 HB THR 146 HB THR 146 -0.988 6.325 -3.757 1105 HG1 THR 146 1HG THR 146 -1.063 6.139 -1.577 1106 HG21 THR 146 1HG2 THR 146 0.361 4.410 -2.629 1107 HG22 THR 146 2HG2 THR 146 1.775 5.327 -3.146 1108 HG23 THR 146 3HG2 THR 146 0.620 4.738 -4.343 1109 H LEU 147 H LEU 147 -0.564 7.789 -5.993 1110 HA LEU 147 HA LEU 147 0.999 6.041 -7.630 1111 HB2 LEU 147 2HB LEU 147 -0.869 8.275 -8.455 1112 HB3 LEU 147 1HB LEU 147 -0.283 6.977 -9.489 1113 HG LEU 147 HG LEU 147 -1.232 5.492 -7.449 1114 HD11 LEU 147 1HD1 LEU 147 -2.749 8.092 -7.376 1115 HD12 LEU 147 2HD1 LEU 147 -2.209 7.072 -6.043 1116 HD13 LEU 147 3HD1 LEU 147 -3.582 6.582 -7.033 1117 HD21 LEU 147 1HD2 LEU 147 -2.112 4.790 -9.433 1118 HD22 LEU 147 2HD2 LEU 147 -2.360 6.429 -10.028 1119 HD23 LEU 147 3HD2 LEU 147 -3.519 5.714 -8.912 1120 H ALA 148 H ALA 148 1.190 9.446 -6.855 1121 HA ALA 148 HA ALA 148 2.812 10.298 -9.038 1122 HB1 ALA 148 1HB ALA 148 3.491 11.755 -6.669 1123 HB2 ALA 148 2HB ALA 148 1.757 11.429 -6.659 1124 HB3 ALA 148 3HB ALA 148 2.488 12.271 -8.027 1125 H ARG 149 H ARG 149 3.834 9.294 -5.744 1126 HA ARG 149 HA ARG 149 6.609 9.690 -6.286 1127 HB2 ARG 149 2HB ARG 149 6.854 8.035 -4.289 1128 HB3 ARG 149 1HB ARG 149 6.097 9.602 -4.010 1129 HG2 ARG 149 2HG ARG 149 4.072 8.676 -3.583 1130 HG3 ARG 149 1HG ARG 149 4.234 7.525 -4.904 1131 HD2 ARG 149 2HD ARG 149 5.464 5.995 -3.590 1132 HD3 ARG 149 1HD ARG 149 5.818 7.212 -2.361 1133 HE ARG 149 HE ARG 149 2.973 6.797 -2.585 1134 HH11 ARG 149 1HH1 ARG 149 1.972 5.642 -0.919 1135 HH12 ARG 149 2HH1 ARG 149 2.934 4.668 0.141 1136 HH21 ARG 149 1HH2 ARG 149 5.927 5.447 -1.427 1137 HH22 ARG 149 2HH2 ARG 149 5.173 4.557 -0.147 1138 H PHE 150 H PHE 150 4.699 6.632 -6.348 1139 HA PHE 150 HA PHE 150 7.044 5.132 -7.174 1140 HB2 PHE 150 2HB PHE 150 5.786 3.300 -6.819 1141 HB3 PHE 150 1HB PHE 150 4.618 4.420 -6.114 1142 HD1 PHE 150 1HD PHE 150 3.153 5.672 -7.982 1143 HD2 PHE 150 2HD PHE 150 5.006 1.838 -8.423 1144 HE1 PHE 150 1HE PHE 150 1.509 5.090 -9.749 1145 HE2 PHE 150 2HE PHE 150 3.377 1.248 -10.195 1146 HZ PHE 150 HZ PHE 150 1.634 2.874 -10.854 1147 H ALA 151 H ALA 151 4.364 6.675 -8.897 1148 HA ALA 151 HA ALA 151 4.884 5.436 -11.442 1149 HB1 ALA 151 1HB ALA 151 3.656 8.139 -10.846 1150 HB2 ALA 151 2HB ALA 151 2.773 6.614 -10.944 1151 HB3 ALA 151 3HB ALA 151 3.553 7.279 -12.379 1152 H ASN 152 H ASN 152 5.974 8.494 -10.003 1153 HA ASN 152 HA ASN 152 7.380 9.479 -12.265 1154 HB2 ASN 152 2HB ASN 152 8.059 11.144 -10.876 1155 HB3 ASN 152 1HB ASN 152 6.938 10.403 -9.737 1156 HD21 ASN 152 1HD2 ASN 152 7.850 8.906 -8.112 1157 HD22 ASN 152 2HD2 ASN 152 9.501 8.986 -7.710 1158 H VAL 153 H VAL 153 8.552 7.429 -9.589 1159 HA VAL 153 HA VAL 153 11.235 7.262 -10.588 1160 HB VAL 153 HB VAL 153 11.327 5.153 -9.171 1161 HG11 VAL 153 1HG1 VAL 153 10.873 7.921 -8.379 1162 HG12 VAL 153 2HG1 VAL 153 12.038 6.757 -7.747 1163 HG13 VAL 153 3HG1 VAL 153 10.393 6.790 -7.114 1164 HG21 VAL 153 1HG2 VAL 153 9.357 4.860 -7.641 1165 HG22 VAL 153 2HG2 VAL 153 9.014 4.462 -9.322 1166 HG23 VAL 153 3HG2 VAL 153 8.473 5.995 -8.651 1167 H ILE 154 H ILE 154 8.349 5.262 -11.141 1168 HA ILE 154 HA ILE 154 9.670 3.267 -12.707 1169 HB ILE 154 HB ILE 154 6.804 4.210 -12.614 1170 HG12 ILE 154 2HG1 ILE 154 8.152 1.708 -11.604 1171 HG13 ILE 154 1HG1 ILE 154 7.760 3.095 -10.604 1172 HG21 ILE 154 1HG2 ILE 154 6.622 3.183 -14.627 1173 HG22 ILE 154 2HG2 ILE 154 6.754 1.693 -13.695 1174 HG23 ILE 154 3HG2 ILE 154 8.183 2.383 -14.460 1175 HD11 ILE 154 1HD1 ILE 154 5.720 1.528 -12.197 1176 HD12 ILE 154 2HD1 ILE 154 5.392 2.833 -11.059 1177 HD13 ILE 154 3HD1 ILE 154 6.029 1.295 -10.477 1178 HBB 96F 201 HBB SUM 155 0.101 10.997 -1.074 1179 HBC 96F 201 HBC SUM 155 -1.097 11.098 0.238 1180 HBA 96F 201 HBA SUM 155 -1.633 11.114 -1.459 1181 HA2 96F 201 2HA SUM 155 -0.435 8.786 0.097 1182 HA1 96F 201 1HA SUM 155 -0.610 8.780 -1.673 1183 HAY 96F 201 HAY SUM 155 -3.796 8.566 1.097 1184 HAZ 96F 201 HAZ SUM 155 -3.392 10.249 0.678 1185 HA0 96F 201 0HA SUM 155 -2.188 9.223 1.490 1186 HBE 96F 201 HBE SUM 155 -2.993 10.342 -1.720 1187 H1 96F 201 HAV SUM 155 -3.983 7.311 -2.462 1188 HAS 96F 201 HAS SUM 155 -5.641 5.486 -3.052 1189 HAT 96F 201 HAT SUM 155 -6.061 5.585 -4.780 1190 HAU 96F 201 HAU SUM 155 -4.954 6.779 -4.066 1191 HAK 96F 201 HAK SUM 155 -4.773 4.669 -6.411 1192 HAF 96F 201 HAF SUM 155 -2.024 2.577 -9.759 1193 HAE 96F 201 HAE SUM 155 0.032 1.347 -10.390 1194 HAD 96F 201 HAD SUM 155 1.750 0.837 -8.669 1195 HAR 96F 201 HAR SUM 155 2.402 1.251 -6.497 1196 HAQ 96F 201 HAQ SUM 155 -2.231 2.618 -2.312 Start of MODEL 6 1 H MET 1 1HT MET 1 -4.460 15.474 6.013 2 HA MET 1 HA MET 1 -3.946 12.593 5.752 3 HB2 MET 1 2HB MET 1 -1.763 13.117 7.021 4 HB3 MET 1 1HB MET 1 -1.767 13.410 5.281 5 HG2 MET 1 2HG MET 1 -2.211 15.787 5.649 6 HG3 MET 1 1HG MET 1 -2.309 15.521 7.390 7 HE1 MET 1 1HE MET 1 -0.722 17.502 7.502 8 HE2 MET 1 2HE MET 1 0.943 17.116 7.932 9 HE3 MET 1 3HE MET 1 -0.384 16.326 8.780 10 HA PRO 2 HA PRO 2 -5.910 14.584 9.634 11 HB2 PRO 2 2HB PRO 2 -8.265 13.115 9.406 12 HB3 PRO 2 1HB PRO 2 -8.055 14.802 8.904 13 HG2 PRO 2 2HG PRO 2 -8.060 12.327 7.275 14 HG3 PRO 2 1HG PRO 2 -8.625 13.955 6.865 15 HD2 PRO 2 2HD PRO 2 -6.275 12.932 5.927 16 HD3 PRO 2 1HD PRO 2 -6.522 14.670 6.215 17 H GLU 3 H GLU 3 -6.246 13.437 11.628 18 HA GLU 3 HA GLU 3 -4.745 11.041 11.944 19 HB2 GLU 3 2HB GLU 3 -6.886 12.258 13.717 20 HB3 GLU 3 1HB GLU 3 -5.796 10.965 14.207 21 HG2 GLU 3 2HG GLU 3 -3.856 12.441 13.729 22 HG3 GLU 3 1HG GLU 3 -4.974 13.742 13.318 23 H GLU 4 H GLU 4 -8.127 11.612 11.221 24 HA GLU 4 HA GLU 4 -8.769 8.741 11.575 25 HB2 GLU 4 2HB GLU 4 -10.351 10.526 12.355 26 HB3 GLU 4 1HB GLU 4 -10.562 10.993 10.669 27 HG2 GLU 4 2HG GLU 4 -11.307 8.676 10.145 28 HG3 GLU 4 1HG GLU 4 -11.186 8.278 11.862 29 H ILE 5 H ILE 5 -9.313 7.398 9.836 30 HA ILE 5 HA ILE 5 -8.787 8.535 7.121 31 HB ILE 5 HB ILE 5 -8.483 5.629 7.452 32 HG12 ILE 5 2HG1 ILE 5 -7.608 6.409 9.633 33 HG13 ILE 5 1HG1 ILE 5 -6.339 5.763 8.606 34 HG21 ILE 5 1HG2 ILE 5 -6.420 6.118 6.176 35 HG22 ILE 5 2HG2 ILE 5 -6.770 7.840 6.317 36 HG23 ILE 5 3HG2 ILE 5 -7.858 6.792 5.410 37 HD11 ILE 5 1HD1 ILE 5 -5.261 7.729 8.573 38 HD12 ILE 5 2HD1 ILE 5 -6.390 8.294 9.804 39 HD13 ILE 5 3HD1 ILE 5 -6.728 8.581 8.100 40 HA PRO 6 HA PRO 6 -13.081 6.904 6.995 41 HB2 PRO 6 2HB PRO 6 -14.113 8.902 5.436 42 HB3 PRO 6 1HB PRO 6 -13.969 9.022 7.201 43 HG2 PRO 6 2HG PRO 6 -12.346 10.281 5.084 44 HG3 PRO 6 1HG PRO 6 -12.706 10.844 6.722 45 HD2 PRO 6 2HD PRO 6 -10.303 9.646 5.878 46 HD3 PRO 6 1HD PRO 6 -10.807 9.898 7.563 47 H ASP 7 H ASP 7 -14.444 6.354 4.964 48 HA ASP 7 HA ASP 7 -12.779 5.041 3.068 49 HB2 ASP 7 2HB ASP 7 -14.918 4.651 1.825 50 HB3 ASP 7 1HB ASP 7 -15.010 4.208 3.529 51 H VAL 8 H VAL 8 -11.820 5.751 1.299 52 HA VAL 8 HA VAL 8 -12.894 8.140 -0.117 53 HB VAL 8 HB VAL 8 -11.042 8.852 1.423 54 HG11 VAL 8 1HG1 VAL 8 -8.811 8.058 1.089 55 HG12 VAL 8 2HG1 VAL 8 -9.260 7.211 -0.392 56 HG13 VAL 8 3HG1 VAL 8 -9.826 6.620 1.170 57 HG21 VAL 8 1HG2 VAL 8 -11.564 9.847 -0.917 58 HG22 VAL 8 2HG2 VAL 8 -10.104 9.007 -1.442 59 HG23 VAL 8 3HG2 VAL 8 -10.007 10.242 -0.187 60 H ARG 9 H ARG 9 -12.653 7.983 -2.372 61 HA ARG 9 HA ARG 9 -11.160 5.585 -3.373 62 HB2 ARG 9 2HB ARG 9 -13.648 5.299 -3.460 63 HB3 ARG 9 1HB ARG 9 -13.732 6.713 -4.515 64 HG2 ARG 9 2HG ARG 9 -12.301 5.595 -6.165 65 HG3 ARG 9 1HG ARG 9 -12.148 4.194 -5.104 66 HD2 ARG 9 2HD ARG 9 -13.859 3.681 -6.725 67 HD3 ARG 9 1HD ARG 9 -14.663 3.972 -5.182 68 HE ARG 9 HE ARG 9 -15.698 5.851 -6.155 69 HH11 ARG 9 1HH1 ARG 9 -16.036 7.335 -7.827 70 HH12 ARG 9 2HH1 ARG 9 -14.923 7.393 -9.153 71 HH21 ARG 9 1HH2 ARG 9 -12.902 4.863 -7.913 72 HH22 ARG 9 2HH2 ARG 9 -13.148 5.995 -9.201 73 H LYS 10 H LYS 10 -9.603 6.108 -4.835 74 HA LYS 10 HA LYS 10 -9.968 8.567 -6.478 75 HB2 LYS 10 2HB LYS 10 -7.463 7.838 -4.930 76 HB3 LYS 10 1HB LYS 10 -7.588 9.164 -6.090 77 HG2 LYS 10 2HG LYS 10 -9.426 10.141 -4.708 78 HG3 LYS 10 1HG LYS 10 -9.164 8.867 -3.517 79 HD2 LYS 10 2HD LYS 10 -6.789 9.617 -3.301 80 HD3 LYS 10 1HD LYS 10 -7.148 10.956 -4.392 81 HE2 LYS 10 2HE LYS 10 -9.183 11.132 -2.529 82 HE3 LYS 10 1HE LYS 10 -7.802 10.640 -1.548 83 HZ1 LYS 10 1HZ LYS 10 -7.945 12.969 -3.382 84 HZ2 LYS 10 2HZ LYS 10 -6.526 12.452 -2.603 85 HZ3 LYS 10 3HZ LYS 10 -7.845 13.011 -1.689 86 H SER 11 H SER 11 -8.978 8.457 -8.534 87 HA SER 11 HA SER 11 -7.526 5.944 -9.201 88 HB2 SER 11 2HB SER 11 -8.874 5.611 -11.199 89 HB3 SER 11 1HB SER 11 -9.949 5.688 -9.803 90 HG SER 11 HG SER 11 -10.632 7.635 -10.422 91 H VAL 12 H VAL 12 -6.021 6.207 -10.925 92 HA VAL 12 HA VAL 12 -5.885 8.804 -12.305 93 HB VAL 12 HB VAL 12 -3.778 7.895 -10.352 94 HG11 VAL 12 1HG1 VAL 12 -2.603 10.022 -11.294 95 HG12 VAL 12 2HG1 VAL 12 -3.622 9.761 -12.708 96 HG13 VAL 12 3HG1 VAL 12 -2.474 8.520 -12.207 97 HG21 VAL 12 1HG2 VAL 12 -5.427 10.407 -10.716 98 HG22 VAL 12 2HG2 VAL 12 -4.076 10.285 -9.588 99 HG23 VAL 12 3HG2 VAL 12 -5.504 9.274 -9.366 100 H VAL 13 H VAL 13 -4.350 8.776 -14.080 101 HA VAL 13 HA VAL 13 -3.750 5.999 -14.973 102 HB VAL 13 HB VAL 13 -5.181 7.673 -16.371 103 HG11 VAL 13 1HG1 VAL 13 -3.383 9.480 -16.007 104 HG12 VAL 13 2HG1 VAL 13 -3.997 9.289 -17.650 105 HG13 VAL 13 3HG1 VAL 13 -2.432 8.605 -17.208 106 HG21 VAL 13 1HG2 VAL 13 -4.348 5.528 -17.239 107 HG22 VAL 13 2HG2 VAL 13 -2.773 6.252 -17.558 108 HG23 VAL 13 3HG2 VAL 13 -4.187 6.780 -18.469 109 H VAL 14 H VAL 14 -1.643 5.399 -15.270 110 HA VAL 14 HA VAL 14 0.445 7.533 -15.167 111 HB VAL 14 HB VAL 14 1.816 5.995 -13.752 112 HG11 VAL 14 1HG1 VAL 14 -0.862 7.015 -12.819 113 HG12 VAL 14 2HG1 VAL 14 0.744 7.672 -12.498 114 HG13 VAL 14 3HG1 VAL 14 0.219 6.191 -11.696 115 HG21 VAL 14 1HG2 VAL 14 -0.769 4.414 -13.741 116 HG22 VAL 14 2HG2 VAL 14 0.561 4.134 -12.619 117 HG23 VAL 14 3HG2 VAL 14 0.796 3.877 -14.348 118 H ALA 15 H ALA 15 2.572 6.742 -16.046 119 HA ALA 15 HA ALA 15 2.096 5.161 -18.469 120 HB1 ALA 15 1HB ALA 15 4.859 5.938 -17.695 121 HB2 ALA 15 2HB ALA 15 3.723 7.256 -17.978 122 HB3 ALA 15 3HB ALA 15 4.046 6.082 -19.254 123 H ALA 16 H ALA 16 1.753 2.990 -17.767 124 HA ALA 16 HA ALA 16 4.122 1.442 -17.300 125 HB1 ALA 16 1HB ALA 16 2.835 0.832 -14.885 126 HB2 ALA 16 2HB ALA 16 2.872 2.593 -14.954 127 HB3 ALA 16 3HB ALA 16 4.372 1.675 -15.079 128 H SER 17 H SER 17 3.569 -0.878 -16.838 129 HA SER 17 HA SER 17 0.918 -1.527 -18.016 130 HB2 SER 17 2HB SER 17 3.371 -3.275 -17.634 131 HB3 SER 17 1HB SER 17 1.886 -3.757 -18.449 132 HG SER 17 HG SER 17 3.664 -2.960 -19.811 133 H VAL 18 H VAL 18 -0.448 -3.060 -16.883 134 HA VAL 18 HA VAL 18 -0.493 -2.792 -14.071 135 HB VAL 18 HB VAL 18 -2.171 -4.558 -14.095 136 HG11 VAL 18 1HG1 VAL 18 -3.730 -3.459 -15.476 137 HG12 VAL 18 2HG1 VAL 18 -2.512 -3.071 -16.691 138 HG13 VAL 18 3HG1 VAL 18 -2.526 -2.210 -15.153 139 HG21 VAL 18 1HG2 VAL 18 -2.523 -5.476 -16.596 140 HG22 VAL 18 2HG2 VAL 18 -1.486 -6.303 -15.436 141 HG23 VAL 18 3HG2 VAL 18 -0.779 -5.228 -16.644 142 H GLU 19 H GLU 19 0.960 -5.317 -16.092 143 HA GLU 19 HA GLU 19 1.657 -7.100 -13.979 144 HB2 GLU 19 2HB GLU 19 3.002 -6.531 -16.626 145 HB3 GLU 19 1HB GLU 19 3.442 -7.864 -15.569 146 HG2 GLU 19 2HG GLU 19 1.109 -8.713 -15.704 147 HG3 GLU 19 1HG GLU 19 0.722 -7.406 -16.826 148 H HIS 20 H HIS 20 3.257 -4.290 -15.386 149 HA HIS 20 HA HIS 20 5.675 -4.453 -13.857 150 HB2 HIS 20 2HB HIS 20 5.664 -2.990 -15.755 151 HB3 HIS 20 1HB HIS 20 4.249 -2.120 -15.155 152 HD1 HIS 20 1HD HIS 20 7.924 -2.220 -14.939 153 HD2 HIS 20 2HD HIS 20 4.809 -0.563 -12.700 154 HE1 HIS 20 1HE HIS 20 8.978 -0.556 -13.350 155 HE2 HIS 20 2HE HIS 20 7.093 0.462 -12.003 156 H CYS 21 H CYS 21 2.557 -2.881 -13.285 157 HA CYS 21 HA CYS 21 3.151 -1.352 -11.032 158 HB2 CYS 21 2HB CYS 21 0.685 -3.032 -11.561 159 HB3 CYS 21 1HB CYS 21 0.790 -1.757 -10.353 160 HG CYS 21 HG CYS 21 1.144 -0.021 -12.287 161 H PHE 22 H PHE 22 2.416 -4.830 -11.197 162 HA PHE 22 HA PHE 22 2.821 -5.062 -8.311 163 HB2 PHE 22 2HB PHE 22 1.752 -6.773 -10.403 164 HB3 PHE 22 1HB PHE 22 2.820 -7.651 -9.297 165 HD1 PHE 22 1HD PHE 22 -0.082 -5.339 -9.444 166 HD2 PHE 22 2HD PHE 22 2.181 -8.087 -7.043 167 HE1 PHE 22 1HE PHE 22 -1.789 -5.182 -7.661 168 HE2 PHE 22 2HE PHE 22 0.467 -7.943 -5.251 169 HZ PHE 22 HZ PHE 22 -1.515 -6.476 -5.570 170 H GLU 23 H GLU 23 4.751 -5.442 -11.187 171 HA GLU 23 HA GLU 23 6.817 -7.074 -10.090 172 HB2 GLU 23 2HB GLU 23 6.717 -6.476 -12.490 173 HB3 GLU 23 1HB GLU 23 7.058 -4.798 -12.072 174 HG2 GLU 23 2HG GLU 23 9.208 -5.494 -11.058 175 HG3 GLU 23 1HG GLU 23 8.879 -7.161 -11.541 176 H VAL 24 H VAL 24 6.201 -3.599 -9.984 177 HA VAL 24 HA VAL 24 8.591 -2.907 -8.558 178 HB VAL 24 HB VAL 24 5.899 -1.528 -8.741 179 HG11 VAL 24 1HG1 VAL 24 8.244 -0.983 -7.139 180 HG12 VAL 24 2HG1 VAL 24 6.699 -0.135 -7.172 181 HG13 VAL 24 3HG1 VAL 24 7.976 0.317 -8.300 182 HG21 VAL 24 1HG2 VAL 24 8.493 -1.322 -10.289 183 HG22 VAL 24 2HG2 VAL 24 7.246 -0.077 -10.347 184 HG23 VAL 24 3HG2 VAL 24 6.889 -1.709 -10.913 185 H PHE 25 H PHE 25 5.301 -3.753 -7.570 186 HA PHE 25 HA PHE 25 5.486 -3.182 -4.808 187 HB2 PHE 25 2HB PHE 25 3.930 -5.244 -6.361 188 HB3 PHE 25 1HB PHE 25 3.755 -5.061 -4.625 189 HD1 PHE 25 1HD PHE 25 1.325 -4.605 -5.201 190 HD2 PHE 25 2HD PHE 25 4.498 -1.940 -6.381 191 HE1 PHE 25 1HE PHE 25 -0.310 -2.786 -5.527 192 HE2 PHE 25 2HE PHE 25 2.861 -0.140 -6.691 193 HZ PHE 25 HZ PHE 25 0.464 -0.549 -6.260 194 H THR 26 H THR 26 6.283 -6.222 -6.509 195 HA THR 26 HA THR 26 7.303 -7.293 -3.947 196 HB THR 26 HB THR 26 7.454 -9.428 -5.171 197 HG1 THR 26 1HG THR 26 7.878 -8.509 -7.223 198 HG21 THR 26 1HG2 THR 26 5.348 -9.567 -4.381 199 HG22 THR 26 2HG2 THR 26 4.816 -9.082 -5.990 200 HG23 THR 26 3HG2 THR 26 5.037 -7.866 -4.732 201 H SER 27 H SER 27 8.633 -5.580 -6.545 202 HA SER 27 HA SER 27 11.170 -7.083 -6.469 203 HB2 SER 27 2HB SER 27 11.904 -5.530 -8.208 204 HB3 SER 27 1HB SER 27 10.357 -6.242 -8.632 205 HG SER 27 HG SER 27 10.604 -3.874 -8.848 206 H ARG 28 H ARG 28 9.999 -3.802 -5.545 207 HA ARG 28 HA ARG 28 11.855 -3.645 -3.370 208 HB2 ARG 28 2HB ARG 28 13.295 -1.789 -4.451 209 HB3 ARG 28 1HB ARG 28 13.665 -3.459 -4.851 210 HG2 ARG 28 2HG ARG 28 13.677 -2.301 -6.932 211 HG3 ARG 28 1HG ARG 28 12.142 -3.148 -6.906 212 HD2 ARG 28 2HD ARG 28 10.945 -1.148 -6.372 213 HD3 ARG 28 1HD ARG 28 12.433 -0.278 -5.988 214 HE ARG 28 HE ARG 28 11.338 -0.711 -8.655 215 HH11 ARG 28 1HH1 ARG 28 12.526 0.205 -10.344 216 HH12 ARG 28 2HH1 ARG 28 14.151 0.734 -10.056 217 HH21 ARG 28 1HH2 ARG 28 14.142 -0.197 -6.716 218 HH22 ARG 28 2HH2 ARG 28 15.065 0.507 -8.002 219 HA PRO 29 HA PRO 29 8.356 -0.435 -3.920 220 HB2 PRO 29 2HB PRO 29 7.481 -1.001 -1.295 221 HB3 PRO 29 1HB PRO 29 6.682 -1.465 -2.807 222 HG2 PRO 29 2HG PRO 29 8.421 -3.049 -1.026 223 HG3 PRO 29 1HG PRO 29 7.104 -3.567 -2.085 224 HD2 PRO 29 2HD PRO 29 9.701 -4.031 -2.722 225 HD3 PRO 29 1HD PRO 29 8.475 -3.705 -3.961 226 H ALA 30 H ALA 30 10.860 -1.125 -1.591 227 HA ALA 30 HA ALA 30 10.542 1.430 -0.197 228 HB1 ALA 30 1HB ALA 30 11.368 -0.632 0.945 229 HB2 ALA 30 2HB ALA 30 12.466 0.736 1.108 230 HB3 ALA 30 3HB ALA 30 12.827 -0.544 -0.042 231 H ASP 31 H ASP 31 12.994 0.031 -2.375 232 HA ASP 31 HA ASP 31 14.781 2.204 -2.366 233 HB2 ASP 31 2HB ASP 31 14.168 0.273 -4.606 234 HB3 ASP 31 1HB ASP 31 15.563 1.344 -4.564 235 H TRP 32 H TRP 32 11.809 1.863 -4.337 236 HA TRP 32 HA TRP 32 12.570 4.067 -6.039 237 HB2 TRP 32 2HB TRP 32 10.702 3.624 -7.215 238 HB3 TRP 32 1HB TRP 32 10.577 2.198 -6.202 239 HD1 TRP 32 HD TRP 32 9.495 5.931 -5.703 240 HE1 TRP 32 1HE TRP 32 7.101 5.919 -4.777 241 HE3 TRP 32 3HE TRP 32 8.601 0.922 -5.664 242 HZ2 TRP 32 2HZ TRP 32 5.064 4.036 -4.137 243 HZ3 TRP 32 3HZ TRP 32 6.398 0.039 -4.916 244 HH2 TRP 32 HH TRP 32 4.624 1.593 -4.157 245 H TRP 33 H TRP 33 10.745 3.920 -2.986 246 HA TRP 33 HA TRP 33 9.705 6.507 -2.912 247 HB2 TRP 33 2HB TRP 33 10.235 4.481 -1.026 248 HB3 TRP 33 1HB TRP 33 10.994 5.940 -0.389 249 HD1 TRP 33 HD TRP 33 7.793 4.251 -0.373 250 HE1 TRP 33 1HE TRP 33 5.863 5.868 0.185 251 HE3 TRP 33 3HE TRP 33 10.173 8.716 -1.017 252 HZ2 TRP 33 2HZ TRP 33 5.394 8.691 0.333 253 HZ3 TRP 33 3HZ TRP 33 8.969 10.852 -0.662 254 HH2 TRP 33 HH TRP 33 6.583 10.844 0.013 255 HA PRO 34 HA PRO 34 13.755 8.571 -3.260 256 HB2 PRO 34 2HB PRO 34 12.909 10.882 -4.358 257 HB3 PRO 34 1HB PRO 34 12.990 9.377 -5.298 258 HG2 PRO 34 2HG PRO 34 10.635 10.746 -4.115 259 HG3 PRO 34 1HG PRO 34 10.779 9.852 -5.637 260 HD2 PRO 34 2HD PRO 34 9.706 8.834 -3.252 261 HD3 PRO 34 1HD PRO 34 10.240 7.868 -4.643 262 HA PRO 35 HA PRO 35 13.787 11.049 0.425 263 HB2 PRO 35 2HB PRO 35 15.802 12.835 -0.198 264 HB3 PRO 35 1HB PRO 35 16.075 11.170 0.352 265 HG2 PRO 35 2HG PRO 35 16.170 12.298 -2.394 266 HG3 PRO 35 1HG PRO 35 17.169 11.038 -1.651 267 HD2 PRO 35 2HD PRO 35 15.139 10.475 -3.390 268 HD3 PRO 35 1HD PRO 35 15.631 9.366 -2.090 269 H SER 36 H SER 36 13.193 12.463 -2.664 270 HA SER 36 HA SER 36 12.793 15.191 -1.883 271 HB2 SER 36 2HB SER 36 11.698 15.461 -3.996 272 HB3 SER 36 1HB SER 36 12.985 14.287 -4.253 273 HG SER 36 HG SER 36 11.088 12.782 -3.577 274 H HIS 37 H HIS 37 10.556 16.236 -1.927 275 HA HIS 37 HA HIS 37 8.461 16.477 -0.906 276 HB2 HIS 37 2HB HIS 37 8.191 13.507 -1.458 277 HB3 HIS 37 1HB HIS 37 6.883 14.664 -1.210 278 HD1 HIS 37 1HD HIS 37 6.972 16.767 -3.044 279 HD2 HIS 37 2HD HIS 37 8.800 13.179 -4.131 280 HE1 HIS 37 1HE HIS 37 7.220 16.822 -5.567 281 HE2 HIS 37 2HE HIS 37 8.331 14.643 -6.237 282 H VAL 38 H VAL 38 7.701 13.525 0.331 283 HA VAL 38 HA VAL 38 8.854 14.261 2.988 284 HB VAL 38 HB VAL 38 6.479 12.483 2.353 285 HG11 VAL 38 1HG1 VAL 38 8.020 13.074 4.774 286 HG12 VAL 38 2HG1 VAL 38 6.834 11.801 4.482 287 HG13 VAL 38 3HG1 VAL 38 6.298 13.411 4.963 288 HG21 VAL 38 1HG2 VAL 38 5.082 14.308 2.723 289 HG22 VAL 38 2HG2 VAL 38 6.437 15.098 1.917 290 HG23 VAL 38 3HG2 VAL 38 6.292 15.172 3.673 291 H LEU 39 H LEU 39 10.219 12.842 3.989 292 HA LEU 39 HA LEU 39 10.964 10.399 2.495 293 HB2 LEU 39 2HB LEU 39 12.216 11.661 4.955 294 HB3 LEU 39 1HB LEU 39 12.890 10.322 4.025 295 HG LEU 39 HG LEU 39 12.526 12.088 2.024 296 HD11 LEU 39 1HD1 LEU 39 11.634 13.849 3.465 297 HD12 LEU 39 2HD1 LEU 39 13.216 14.335 2.857 298 HD13 LEU 39 3HD1 LEU 39 13.051 13.745 4.511 299 HD21 LEU 39 1HD2 LEU 39 14.860 11.999 3.963 300 HD22 LEU 39 2HD2 LEU 39 14.930 12.698 2.345 301 HD23 LEU 39 3HD2 LEU 39 14.637 10.970 2.548 302 H VAL 40 H VAL 40 10.869 8.314 3.431 303 HA VAL 40 HA VAL 40 8.669 7.636 5.012 304 HB VAL 40 HB VAL 40 10.009 5.970 3.777 305 HG11 VAL 40 1HG1 VAL 40 12.083 6.538 5.917 306 HG12 VAL 40 2HG1 VAL 40 12.231 6.896 4.197 307 HG13 VAL 40 3HG1 VAL 40 12.178 5.222 4.747 308 HG21 VAL 40 1HG2 VAL 40 9.971 5.440 6.762 309 HG22 VAL 40 2HG2 VAL 40 10.043 4.213 5.501 310 HG23 VAL 40 3HG2 VAL 40 8.604 5.219 5.676 311 H LYS 41 H LYS 41 8.312 7.462 7.259 312 HA LYS 41 HA LYS 41 9.761 9.211 8.982 313 HB2 LYS 41 2HB LYS 41 7.427 8.433 9.393 314 HB3 LYS 41 1HB LYS 41 8.067 6.840 9.787 315 HG2 LYS 41 2HG LYS 41 9.451 7.877 11.585 316 HG3 LYS 41 1HG LYS 41 8.689 9.429 11.233 317 HD2 LYS 41 2HD LYS 41 6.457 8.343 11.670 318 HD3 LYS 41 1HD LYS 41 7.326 6.910 12.219 319 HE2 LYS 41 2HE LYS 41 6.677 8.435 14.095 320 HE3 LYS 41 1HE LYS 41 8.420 8.187 13.979 321 HZ1 LYS 41 1HZ LYS 41 6.987 10.486 12.767 322 HZ2 LYS 41 2HZ LYS 41 8.668 10.267 12.875 323 HZ3 LYS 41 3HZ LYS 41 7.752 10.538 14.280 324 H LYS 42 H LYS 42 9.991 5.726 8.449 325 HA LYS 42 HA LYS 42 12.448 5.693 10.154 326 HB2 LYS 42 2HB LYS 42 12.027 3.320 10.507 327 HB3 LYS 42 1HB LYS 42 10.563 4.216 10.913 328 HG2 LYS 42 2HG LYS 42 9.720 3.763 8.590 329 HG3 LYS 42 1HG LYS 42 11.123 2.726 8.335 330 HD2 LYS 42 2HD LYS 42 10.409 1.434 10.401 331 HD3 LYS 42 1HD LYS 42 8.904 2.353 10.359 332 HE2 LYS 42 2HE LYS 42 8.712 1.578 7.907 333 HE3 LYS 42 1HE LYS 42 9.960 0.399 8.315 334 HZ1 LYS 42 1HZ LYS 42 8.355 -0.864 9.138 335 HZ2 LYS 42 2HZ LYS 42 7.193 0.357 8.927 336 HZ3 LYS 42 3HZ LYS 42 8.109 0.289 10.356 337 H GLU 43 H GLU 43 14.339 4.818 9.209 338 HA GLU 43 HA GLU 43 14.482 4.955 6.335 339 HB2 GLU 43 2HB GLU 43 16.399 5.436 7.867 340 HB3 GLU 43 1HB GLU 43 16.482 3.717 8.231 341 HG2 GLU 43 2HG GLU 43 16.802 3.247 5.805 342 HG3 GLU 43 1HG GLU 43 16.826 4.985 5.502 343 H ARG 44 H ARG 44 13.908 3.412 4.919 344 HA ARG 44 HA ARG 44 13.090 0.777 5.788 345 HB2 ARG 44 2HB ARG 44 13.534 1.940 3.021 346 HB3 ARG 44 1HB ARG 44 12.810 0.360 3.335 347 HG2 ARG 44 2HG ARG 44 11.045 1.445 4.687 348 HG3 ARG 44 1HG ARG 44 11.749 3.019 4.341 349 HD2 ARG 44 2HD ARG 44 11.408 2.571 1.900 350 HD3 ARG 44 1HD ARG 44 10.572 1.078 2.334 351 HE ARG 44 HE ARG 44 9.523 3.551 3.558 352 HH11 ARG 44 1HH1 ARG 44 7.372 3.996 3.044 353 HH12 ARG 44 2HH1 ARG 44 6.589 3.093 1.789 354 HH21 ARG 44 1HH2 ARG 44 9.370 1.151 1.081 355 HH22 ARG 44 2HH2 ARG 44 7.719 1.485 0.680 356 H ALA 45 H ALA 45 14.197 -1.179 5.560 357 HA ALA 45 HA ALA 45 17.060 -0.963 4.697 358 HB1 ALA 45 1HB ALA 45 17.125 -1.222 7.050 359 HB2 ALA 45 2HB ALA 45 17.385 -2.849 6.424 360 HB3 ALA 45 3HB ALA 45 15.798 -2.383 7.040 361 H GLY 46 H GLY 46 14.374 -3.271 5.198 362 HA2 GLY 46 2HA GLY 46 15.135 -4.594 2.662 363 HA3 GLY 46 1HA GLY 46 15.193 -5.588 4.116 364 H LEU 47 H LEU 47 13.443 -6.310 2.107 365 HA LEU 47 HA LEU 47 10.900 -6.042 3.533 366 HB2 LEU 47 2HB LEU 47 10.199 -5.585 0.814 367 HB3 LEU 47 1HB LEU 47 9.932 -4.524 2.194 368 HG LEU 47 HG LEU 47 12.127 -3.497 1.870 369 HD11 LEU 47 1HD1 LEU 47 13.750 -4.696 0.848 370 HD12 LEU 47 2HD1 LEU 47 12.901 -4.445 -0.676 371 HD13 LEU 47 3HD1 LEU 47 12.572 -5.882 0.289 372 HD21 LEU 47 1HD2 LEU 47 10.541 -3.743 -0.685 373 HD22 LEU 47 2HD2 LEU 47 11.718 -2.481 -0.355 374 HD23 LEU 47 3HD2 LEU 47 10.241 -2.585 0.605 375 H ALA 48 H ALA 48 9.686 -7.879 3.298 376 HA ALA 48 HA ALA 48 10.681 -9.872 1.316 377 HB1 ALA 48 1HB ALA 48 10.246 -11.523 2.834 378 HB2 ALA 48 2HB ALA 48 8.750 -10.764 3.373 379 HB3 ALA 48 3HB ALA 48 10.302 -10.211 4.011 380 H PHE 49 H PHE 49 9.240 -10.684 -0.214 381 HA PHE 49 HA PHE 49 6.413 -9.754 -0.064 382 HB2 PHE 49 2HB PHE 49 8.494 -8.913 -1.959 383 HB3 PHE 49 1HB PHE 49 7.028 -9.508 -2.738 384 HD1 PHE 49 1HD PHE 49 8.436 -6.958 -0.481 385 HD2 PHE 49 2HD PHE 49 4.913 -8.346 -2.503 386 HE1 PHE 49 1HE PHE 49 7.323 -4.790 -0.030 387 HE2 PHE 49 2HE PHE 49 3.799 -6.179 -2.054 388 HZ PHE 49 HZ PHE 49 5.007 -4.402 -0.827 389 H GLU 50 H GLU 50 5.122 -11.530 -0.412 390 HA GLU 50 HA GLU 50 6.129 -13.536 -2.399 391 HB2 GLU 50 2HB GLU 50 6.517 -14.471 -0.185 392 HB3 GLU 50 1HB GLU 50 4.864 -14.140 0.284 393 HG2 GLU 50 2HG GLU 50 4.795 -16.416 -0.284 394 HG3 GLU 50 1HG GLU 50 4.234 -15.647 -1.764 395 HA PRO 51 HA PRO 51 1.972 -12.683 -3.905 396 HB2 PRO 51 2HB PRO 51 1.924 -14.243 -6.076 397 HB3 PRO 51 1HB PRO 51 3.003 -12.837 -5.975 398 HG2 PRO 51 2HG PRO 51 3.626 -15.729 -5.597 399 HG3 PRO 51 1HG PRO 51 4.555 -14.478 -6.442 400 HD2 PRO 51 2HD PRO 51 5.084 -15.329 -3.853 401 HD3 PRO 51 1HD PRO 51 5.572 -13.756 -4.522 402 H PHE 52 H PHE 52 -0.070 -13.522 -3.495 403 HA PHE 52 HA PHE 52 -0.951 -16.179 -3.752 404 HB2 PHE 52 2HB PHE 52 -1.002 -16.612 -1.125 405 HB3 PHE 52 1HB PHE 52 0.373 -17.114 -2.102 406 HD1 PHE 52 1HD PHE 52 1.823 -17.037 -0.084 407 HD2 PHE 52 2HD PHE 52 -0.169 -13.510 -1.524 408 HE1 PHE 52 1HE PHE 52 3.328 -15.606 1.274 409 HE2 PHE 52 2HE PHE 52 1.357 -12.103 -0.214 410 HZ PHE 52 HZ PHE 52 3.083 -13.134 1.210 411 H VAL 53 H VAL 53 -2.836 -16.568 -1.930 412 HA VAL 53 HA VAL 53 -4.465 -14.075 -1.977 413 HB VAL 53 HB VAL 53 -6.090 -15.513 -2.629 414 HG11 VAL 53 1HG1 VAL 53 -5.704 -17.930 -2.784 415 HG12 VAL 53 2HG1 VAL 53 -4.278 -17.782 -1.759 416 HG13 VAL 53 3HG1 VAL 53 -4.293 -17.044 -3.362 417 HG21 VAL 53 1HG2 VAL 53 -5.689 -16.902 0.043 418 HG22 VAL 53 2HG2 VAL 53 -7.144 -16.923 -0.949 419 HG23 VAL 53 3HG2 VAL 53 -6.629 -15.423 -0.181 420 H GLY 54 H GLY 54 -5.207 -13.182 0.065 421 HA2 GLY 54 2HA GLY 54 -5.076 -12.852 2.422 422 HA3 GLY 54 1HA GLY 54 -4.837 -14.604 2.571 423 H GLY 55 H GLY 55 -3.029 -12.563 0.496 424 HA2 GLY 55 2HA GLY 55 -0.516 -13.599 1.295 425 HA3 GLY 55 1HA GLY 55 -0.803 -12.265 0.188 426 H ARG 56 H ARG 56 1.403 -11.980 1.519 427 HA ARG 56 HA ARG 56 0.789 -9.782 3.394 428 HB2 ARG 56 2HB ARG 56 2.506 -12.165 4.126 429 HB3 ARG 56 1HB ARG 56 2.427 -10.672 5.059 430 HG2 ARG 56 2HG ARG 56 -0.045 -11.005 5.288 431 HG3 ARG 56 1HG ARG 56 0.130 -12.564 4.481 432 HD2 ARG 56 2HD ARG 56 1.789 -13.216 6.261 433 HD3 ARG 56 1HD ARG 56 1.378 -11.726 7.110 434 HE ARG 56 HE ARG 56 -0.948 -13.371 6.464 435 HH11 ARG 56 1HH1 ARG 56 -2.025 -14.252 8.246 436 HH12 ARG 56 2HH1 ARG 56 -1.252 -14.250 9.796 437 HH21 ARG 56 1HH2 ARG 56 1.631 -12.700 8.650 438 HH22 ARG 56 2HH2 ARG 56 0.818 -13.371 10.025 439 H TYR 57 H TYR 57 2.360 -8.240 3.537 440 HA TYR 57 HA TYR 57 4.817 -8.567 1.868 441 HB2 TYR 57 2HB TYR 57 3.320 -5.974 2.370 442 HB3 TYR 57 1HB TYR 57 4.703 -6.205 1.305 443 HD1 TYR 57 1HD TYR 57 1.519 -5.393 1.014 444 HD2 TYR 57 2HD TYR 57 4.022 -8.689 -0.163 445 HE1 TYR 57 1HE TYR 57 -0.025 -5.909 -0.852 446 HE2 TYR 57 2HE TYR 57 2.470 -9.206 -2.012 447 HH TYR 57 HH TYR 57 -0.462 -7.245 -2.561 448 H TYR 58 H TYR 58 6.730 -7.938 2.898 449 HA TYR 58 HA TYR 58 6.417 -7.086 5.754 450 HB2 TYR 58 2HB TYR 58 8.568 -8.843 4.566 451 HB3 TYR 58 1HB TYR 58 8.304 -8.499 6.270 452 HD1 TYR 58 1HD TYR 58 6.935 -9.911 7.547 453 HD2 TYR 58 2HD TYR 58 6.538 -9.886 3.272 454 HE1 TYR 58 1HE TYR 58 5.298 -11.767 7.681 455 HE2 TYR 58 2HE TYR 58 4.902 -11.725 3.403 456 HH TYR 58 HH TYR 58 3.997 -13.288 4.751 457 H GLU 59 H GLU 59 7.894 -5.636 6.599 458 HA GLU 59 HA GLU 59 9.862 -4.401 4.714 459 HB2 GLU 59 2HB GLU 59 7.901 -2.916 4.950 460 HB3 GLU 59 1HB GLU 59 8.077 -2.960 6.705 461 HG2 GLU 59 2HG GLU 59 10.370 -1.985 6.442 462 HG3 GLU 59 1HG GLU 59 10.061 -1.833 4.711 463 H TRP 60 H TRP 60 11.840 -3.885 5.669 464 HA TRP 60 HA TRP 60 12.196 -4.854 8.479 465 HB2 TRP 60 2HB TRP 60 13.778 -5.020 6.021 466 HB3 TRP 60 1HB TRP 60 14.714 -4.420 7.387 467 HD1 TRP 60 HD TRP 60 14.192 -6.006 9.753 468 HE1 TRP 60 1HE TRP 60 14.311 -8.591 9.839 469 HE3 TRP 60 3HE TRP 60 13.640 -7.098 4.793 470 HZ2 TRP 60 2HZ TRP 60 14.146 -10.817 8.028 471 HZ3 TRP 60 3HZ TRP 60 13.621 -9.439 4.001 472 HH2 TRP 60 HH TRP 60 13.880 -11.299 5.609 473 H ASP 61 H ASP 61 12.696 -3.308 10.020 474 HA ASP 61 HA ASP 61 13.484 -0.610 8.953 475 HB2 ASP 61 2HB ASP 61 11.465 -0.828 10.508 476 HB3 ASP 61 1HB ASP 61 12.625 -1.219 11.769 477 H ILE 62 H ILE 62 15.491 0.184 9.477 478 HA ILE 62 HA ILE 62 17.595 -1.519 10.138 479 HB ILE 62 HB ILE 62 18.959 0.448 10.476 480 HG12 ILE 62 2HG1 ILE 62 17.441 1.679 11.989 481 HG13 ILE 62 1HG1 ILE 62 18.002 2.692 10.673 482 HG21 ILE 62 1HG2 ILE 62 16.843 0.624 8.359 483 HG22 ILE 62 2HG2 ILE 62 18.536 0.158 8.198 484 HG23 ILE 62 3HG2 ILE 62 18.107 1.845 8.478 485 HD11 ILE 62 1HD1 ILE 62 15.270 1.507 11.105 486 HD12 ILE 62 2HD1 ILE 62 15.788 1.951 9.485 487 HD13 ILE 62 3HD1 ILE 62 15.711 3.171 10.748 488 H ASP 63 H ASP 63 15.562 0.342 12.346 489 HA ASP 63 HA ASP 63 17.120 -0.781 14.624 490 HB2 ASP 63 2HB ASP 63 15.096 1.477 14.499 491 HB3 ASP 63 1HB ASP 63 15.840 0.891 15.987 492 H GLY 64 H GLY 64 14.242 -1.094 12.829 493 HA2 GLY 64 2HA GLY 64 12.995 -2.653 15.037 494 HA3 GLY 64 1HA GLY 64 12.078 -1.898 13.746 495 H THR 65 H THR 65 12.470 -4.675 14.742 496 HA THR 65 HA THR 65 13.739 -6.349 12.855 497 HB THR 65 HB THR 65 11.228 -6.965 14.417 498 HG1 THR 65 1HG THR 65 13.921 -6.740 15.207 499 HG21 THR 65 1HG2 THR 65 12.704 -9.176 14.585 500 HG22 THR 65 2HG2 THR 65 13.362 -8.555 13.075 501 HG23 THR 65 3HG2 THR 65 11.635 -8.881 13.217 502 H GLU 66 H GLU 66 12.158 -8.037 11.659 503 HA GLU 66 HA GLU 66 10.859 -6.543 9.524 504 HB2 GLU 66 2HB GLU 66 12.082 -8.792 9.303 505 HB3 GLU 66 1HB GLU 66 10.663 -9.517 10.022 506 HG2 GLU 66 2HG GLU 66 9.284 -8.453 8.258 507 HG3 GLU 66 1HG GLU 66 10.764 -7.895 7.483 508 H ILE 67 H ILE 67 8.594 -6.490 9.114 509 HA ILE 67 HA ILE 67 6.794 -7.899 10.973 510 HB ILE 67 HB ILE 67 5.576 -5.775 11.527 511 HG12 ILE 67 2HG1 ILE 67 8.109 -4.408 10.643 512 HG13 ILE 67 1HG1 ILE 67 6.714 -4.562 9.575 513 HG21 ILE 67 1HG2 ILE 67 7.069 -5.182 13.321 514 HG22 ILE 67 2HG2 ILE 67 8.463 -5.794 12.432 515 HG23 ILE 67 3HG2 ILE 67 7.242 -6.914 13.040 516 HD11 ILE 67 1HD1 ILE 67 6.681 -2.409 10.804 517 HD12 ILE 67 2HD1 ILE 67 6.677 -3.294 12.330 518 HD13 ILE 67 3HD1 ILE 67 5.302 -3.421 11.232 519 H VAL 68 H VAL 68 4.463 -7.553 10.345 520 HA VAL 68 HA VAL 68 4.275 -7.328 7.370 521 HB VAL 68 HB VAL 68 2.260 -8.483 9.326 522 HG11 VAL 68 1HG1 VAL 68 1.383 -7.706 7.126 523 HG12 VAL 68 2HG1 VAL 68 1.255 -9.453 7.321 524 HG13 VAL 68 3HG1 VAL 68 2.535 -8.769 6.320 525 HG21 VAL 68 1HG2 VAL 68 3.397 -10.510 7.729 526 HG22 VAL 68 2HG2 VAL 68 3.613 -10.280 9.464 527 HG23 VAL 68 3HG2 VAL 68 4.754 -9.558 8.331 528 H TRP 69 H TRP 69 3.288 -5.507 6.565 529 HA TRP 69 HA TRP 69 1.670 -3.893 8.509 530 HB2 TRP 69 2HB TRP 69 2.218 -2.214 6.391 531 HB3 TRP 69 1HB TRP 69 3.095 -2.266 7.920 532 HD1 TRP 69 HD TRP 69 5.382 -3.615 7.991 533 HE1 TRP 69 1HE TRP 69 7.033 -4.258 6.122 534 HE3 TRP 69 3HE TRP 69 2.394 -2.951 3.916 535 HZ2 TRP 69 2HZ TRP 69 7.079 -4.440 3.266 536 HZ3 TRP 69 3HZ TRP 69 3.265 -3.360 1.634 537 HH2 TRP 69 HH TRP 69 5.606 -4.108 1.312 538 H GLY 70 H GLY 70 1.115 -5.995 6.025 539 HA2 GLY 70 2HA GLY 70 -1.532 -4.824 5.565 540 HA3 GLY 70 1HA GLY 70 -0.495 -4.814 4.141 541 H ARG 71 H ARG 71 -2.449 -6.207 3.488 542 HA ARG 71 HA ARG 71 -1.600 -9.001 3.608 543 HB2 ARG 71 2HB ARG 71 -3.502 -8.242 5.446 544 HB3 ARG 71 1HB ARG 71 -4.497 -8.768 4.092 545 HG2 ARG 71 2HG ARG 71 -3.191 -10.888 3.997 546 HG3 ARG 71 1HG ARG 71 -2.329 -10.383 5.451 547 HD2 ARG 71 2HD ARG 71 -4.126 -11.811 6.167 548 HD3 ARG 71 1HD ARG 71 -4.594 -10.163 6.579 549 HE ARG 71 HE ARG 71 -5.549 -11.085 3.961 550 HH11 ARG 71 1HH1 ARG 71 -7.799 -11.195 3.774 551 HH12 ARG 71 2HH1 ARG 71 -8.781 -11.084 5.196 552 HH21 ARG 71 1HH2 ARG 71 -6.084 -10.748 7.351 553 HH22 ARG 71 2HH2 ARG 71 -7.810 -10.831 7.222 554 H ILE 72 H ILE 72 -3.453 -10.228 2.229 555 HA ILE 72 HA ILE 72 -4.267 -8.484 -0.023 556 HB ILE 72 HB ILE 72 -2.662 -11.032 -0.192 557 HG12 ILE 72 2HG1 ILE 72 -1.482 -9.538 -1.944 558 HG13 ILE 72 1HG1 ILE 72 -2.390 -8.207 -1.230 559 HG21 ILE 72 1HG2 ILE 72 -4.396 -9.764 -2.317 560 HG22 ILE 72 2HG2 ILE 72 -4.492 -11.415 -1.701 561 HG23 ILE 72 3HG2 ILE 72 -3.110 -10.914 -2.672 562 HD11 ILE 72 1HD1 ILE 72 -0.827 -8.058 0.379 563 HD12 ILE 72 2HD1 ILE 72 0.011 -9.470 -0.263 564 HD13 ILE 72 3HD1 ILE 72 -1.270 -9.668 0.925 565 H LEU 73 H LEU 73 -5.982 -9.711 -1.408 566 HA LEU 73 HA LEU 73 -7.615 -11.433 0.413 567 HB2 LEU 73 2HB LEU 73 -8.356 -9.356 -1.631 568 HB3 LEU 73 1HB LEU 73 -9.501 -10.623 -1.195 569 HG LEU 73 HG LEU 73 -8.116 -9.140 1.004 570 HD11 LEU 73 1HD1 LEU 73 -9.752 -7.351 0.950 571 HD12 LEU 73 2HD1 LEU 73 -10.563 -8.081 -0.437 572 HD13 LEU 73 3HD1 LEU 73 -8.942 -7.411 -0.613 573 HD21 LEU 73 1HD2 LEU 73 -9.553 -10.980 1.627 574 HD22 LEU 73 2HD2 LEU 73 -10.852 -10.387 0.592 575 HD23 LEU 73 3HD2 LEU 73 -10.402 -9.492 2.040 576 H GLU 74 H GLU 74 -6.963 -10.818 -3.020 577 HA GLU 74 HA GLU 74 -6.379 -13.523 -3.698 578 HB2 GLU 74 2HB GLU 74 -8.404 -14.199 -4.850 579 HB3 GLU 74 1HB GLU 74 -8.849 -13.773 -3.199 580 HG2 GLU 74 2HG GLU 74 -9.447 -11.473 -4.024 581 HG3 GLU 74 1HG GLU 74 -9.171 -12.047 -5.669 582 H TRP 75 H TRP 75 -6.083 -13.726 -6.077 583 HA TRP 75 HA TRP 75 -5.732 -11.040 -7.327 584 HB2 TRP 75 2HB TRP 75 -3.981 -12.033 -8.670 585 HB3 TRP 75 1HB TRP 75 -3.692 -12.483 -6.987 586 HD1 TRP 75 HD TRP 75 -4.741 -14.971 -6.272 587 HE1 TRP 75 1HE TRP 75 -4.728 -17.151 -7.648 588 HE3 TRP 75 3HE TRP 75 -3.980 -13.060 -10.946 589 HZ2 TRP 75 2HZ TRP 75 -4.432 -17.976 -10.372 590 HZ3 TRP 75 3HZ TRP 75 -3.834 -14.563 -12.911 591 HH2 TRP 75 HH TRP 75 -4.060 -17.016 -12.631 592 H ASP 76 H ASP 76 -6.946 -10.568 -9.121 593 HA ASP 76 HA ASP 76 -8.772 -12.642 -10.119 594 HB2 ASP 76 2HB ASP 76 -9.075 -9.953 -9.740 595 HB3 ASP 76 1HB ASP 76 -8.745 -10.029 -11.469 596 HA PRO 77 HA PRO 77 -6.009 -13.995 -13.341 597 HB2 PRO 77 2HB PRO 77 -8.210 -14.254 -15.229 598 HB3 PRO 77 1HB PRO 77 -7.209 -15.503 -14.489 599 HG2 PRO 77 2HG PRO 77 -9.870 -14.768 -13.814 600 HG3 PRO 77 1HG PRO 77 -8.857 -16.022 -13.094 601 HD2 PRO 77 2HD PRO 77 -9.687 -13.614 -11.872 602 HD3 PRO 77 1HD PRO 77 -8.476 -14.753 -11.244 603 HA PRO 78 HA PRO 78 -7.220 -10.651 -16.689 604 HB2 PRO 78 2HB PRO 78 -8.791 -8.823 -14.916 605 HB3 PRO 78 1HB PRO 78 -9.050 -9.230 -16.623 606 HG2 PRO 78 2HG PRO 78 -10.629 -10.197 -14.726 607 HG3 PRO 78 1HG PRO 78 -10.158 -11.185 -16.121 608 HD2 PRO 78 2HD PRO 78 -9.136 -11.290 -13.306 609 HD3 PRO 78 1HD PRO 78 -9.443 -12.618 -14.439 610 H HIS 79 H HIS 79 -7.419 -7.827 -15.081 611 HA HIS 79 HA HIS 79 -4.667 -8.008 -13.967 612 HB2 HIS 79 2HB HIS 79 -4.760 -5.474 -14.842 613 HB3 HIS 79 1HB HIS 79 -4.241 -6.792 -15.888 614 HD1 HIS 79 1HD HIS 79 -7.760 -5.768 -14.822 615 HD2 HIS 79 2HD HIS 79 -5.545 -6.381 -18.303 616 HE1 HIS 79 1HE HIS 79 -9.371 -5.480 -16.750 617 HE2 HIS 79 2HE HIS 79 -8.035 -5.855 -18.878 618 H ARG 80 H ARG 80 -6.696 -8.504 -12.304 619 HA ARG 80 HA ARG 80 -7.043 -5.896 -10.876 620 HB2 ARG 80 2HB ARG 80 -9.170 -6.107 -11.836 621 HB3 ARG 80 1HB ARG 80 -9.181 -7.858 -11.669 622 HG2 ARG 80 2HG ARG 80 -9.487 -7.705 -9.282 623 HG3 ARG 80 1HG ARG 80 -9.208 -5.962 -9.308 624 HD2 ARG 80 2HD ARG 80 -11.578 -6.243 -9.200 625 HD3 ARG 80 1HD ARG 80 -11.223 -5.807 -10.869 626 HE ARG 80 HE ARG 80 -11.271 -8.689 -10.435 627 HH11 ARG 80 1HH1 ARG 80 -12.970 -9.793 -11.435 628 HH12 ARG 80 2HH1 ARG 80 -14.327 -8.901 -12.039 629 HH21 ARG 80 1HH2 ARG 80 -13.080 -5.820 -11.052 630 HH22 ARG 80 2HH2 ARG 80 -14.390 -6.652 -11.822 631 H LEU 81 H LEU 81 -6.673 -6.000 -8.738 632 HA LEU 81 HA LEU 81 -6.611 -8.681 -7.443 633 HB2 LEU 81 2HB LEU 81 -4.511 -6.524 -7.156 634 HB3 LEU 81 1HB LEU 81 -4.536 -8.049 -6.279 635 HG LEU 81 HG LEU 81 -4.744 -8.948 -8.828 636 HD11 LEU 81 1HD1 LEU 81 -4.421 -6.428 -9.439 637 HD12 LEU 81 2HD1 LEU 81 -3.525 -7.651 -10.341 638 HD13 LEU 81 3HD1 LEU 81 -2.730 -6.738 -9.058 639 HD21 LEU 81 1HD2 LEU 81 -2.131 -9.097 -8.626 640 HD22 LEU 81 2HD2 LEU 81 -3.136 -9.936 -7.443 641 HD23 LEU 81 3HD2 LEU 81 -2.399 -8.387 -7.033 642 H ALA 82 H ALA 82 -7.640 -8.687 -5.510 643 HA ALA 82 HA ALA 82 -8.358 -6.049 -4.294 644 HB1 ALA 82 1HB ALA 82 -9.943 -7.661 -2.935 645 HB2 ALA 82 2HB ALA 82 -9.643 -8.779 -4.266 646 HB3 ALA 82 3HB ALA 82 -10.389 -7.212 -4.582 647 H MET 83 H MET 83 -7.736 -5.768 -2.015 648 HA MET 83 HA MET 83 -6.204 -8.038 -0.905 649 HB2 MET 83 2HB MET 83 -4.465 -6.130 -0.248 650 HB3 MET 83 1HB MET 83 -4.351 -7.016 -1.768 651 HG2 MET 83 2HG MET 83 -5.591 -5.247 -2.926 652 HG3 MET 83 1HG MET 83 -5.795 -4.372 -1.409 653 HE1 MET 83 1HE MET 83 -3.692 -5.647 -4.142 654 HE2 MET 83 2HE MET 83 -2.545 -6.284 -2.968 655 HE3 MET 83 3HE MET 83 -2.086 -4.922 -3.988 656 H THR 84 H THR 84 -5.961 -8.121 1.323 657 HA THR 84 HA THR 84 -7.632 -6.142 2.831 658 HB THR 84 HB THR 84 -6.705 -8.952 3.514 659 HG1 THR 84 1HG THR 84 -8.656 -9.451 2.968 660 HG21 THR 84 1HG2 THR 84 -6.540 -7.794 5.570 661 HG22 THR 84 2HG2 THR 84 -8.150 -8.514 5.602 662 HG23 THR 84 3HG2 THR 84 -7.956 -6.803 5.220 663 H TRP 85 H TRP 85 -6.636 -5.160 4.739 664 HA TRP 85 HA TRP 85 -3.652 -5.189 4.561 665 HB2 TRP 85 2HB TRP 85 -5.273 -3.062 4.366 666 HB3 TRP 85 1HB TRP 85 -5.098 -3.101 6.121 667 HD1 TRP 85 HD TRP 85 -3.136 -1.745 6.962 668 HE1 TRP 85 1HE TRP 85 -0.839 -1.030 6.033 669 HE3 TRP 85 3HE TRP 85 -3.263 -4.064 2.414 670 HZ2 TRP 85 2HZ TRP 85 0.736 -1.396 3.673 671 HZ3 TRP 85 3HZ TRP 85 -1.354 -3.864 0.847 672 HH2 TRP 85 HH TRP 85 0.645 -2.534 1.469 673 H ARG 86 H ARG 86 -2.522 -6.117 6.239 674 HA ARG 86 HA ARG 86 -3.991 -6.482 8.828 675 HB2 ARG 86 2HB ARG 86 -3.384 -8.599 7.681 676 HB3 ARG 86 1HB ARG 86 -1.689 -8.118 7.727 677 HG2 ARG 86 2HG ARG 86 -1.833 -7.987 10.213 678 HG3 ARG 86 1HG ARG 86 -3.494 -8.575 10.120 679 HD2 ARG 86 2HD ARG 86 -1.053 -10.056 9.096 680 HD3 ARG 86 1HD ARG 86 -1.914 -10.420 10.591 681 HE ARG 86 HE ARG 86 -2.745 -11.208 7.936 682 HH11 ARG 86 1HH1 ARG 86 -4.749 -12.240 7.770 683 HH12 ARG 86 2HH1 ARG 86 -5.882 -12.120 9.075 684 HH21 ARG 86 1HH2 ARG 86 -3.812 -10.150 11.040 685 HH22 ARG 86 2HH2 ARG 86 -5.351 -10.937 10.926 686 H ILE 87 H ILE 87 -3.320 -4.780 10.089 687 HA ILE 87 HA ILE 87 -0.430 -4.630 10.701 688 HB ILE 87 HB ILE 87 -1.000 -2.970 8.837 689 HG12 ILE 87 2HG1 ILE 87 -0.046 -1.685 11.404 690 HG13 ILE 87 1HG1 ILE 87 0.943 -2.839 10.507 691 HG21 ILE 87 1HG2 ILE 87 -2.124 -1.205 10.962 692 HG22 ILE 87 2HG2 ILE 87 -3.199 -2.420 10.273 693 HG23 ILE 87 3HG2 ILE 87 -2.442 -1.218 9.228 694 HD11 ILE 87 1HD1 ILE 87 1.113 -1.430 8.637 695 HD12 ILE 87 2HD1 ILE 87 1.228 -0.306 9.988 696 HD13 ILE 87 3HD1 ILE 87 -0.291 -0.477 9.110 697 H ASP 88 H ASP 88 -0.031 -3.472 12.737 698 HA ASP 88 HA ASP 88 -2.468 -3.408 14.460 699 HB2 ASP 88 2HB ASP 88 -0.794 -5.048 15.174 700 HB3 ASP 88 1HB ASP 88 0.419 -3.774 15.260 701 H GLY 89 H GLY 89 -2.099 -1.863 16.404 702 HA2 GLY 89 2HA GLY 89 -2.033 0.799 15.417 703 HA3 GLY 89 1HA GLY 89 -1.941 0.361 17.123 704 H HIS 90 H HIS 90 0.536 -1.136 16.956 705 HA HIS 90 HA HIS 90 2.394 1.166 16.541 706 HB2 HIS 90 2HB HIS 90 2.019 -0.508 18.745 707 HB3 HIS 90 1HB HIS 90 3.516 -1.079 18.013 708 HD1 HIS 90 1HD HIS 90 2.795 0.988 20.617 709 HD2 HIS 90 2HD HIS 90 4.843 1.738 17.059 710 HE1 HIS 90 1HE HIS 90 4.247 3.023 21.040 711 HE2 HIS 90 2HE HIS 90 5.499 3.487 18.883 712 H TRP 91 H TRP 91 1.653 -0.358 14.270 713 HA TRP 91 HA TRP 91 2.622 -1.512 12.477 714 HB2 TRP 91 2HB TRP 91 5.055 -0.411 13.894 715 HB3 TRP 91 1HB TRP 91 5.174 -1.319 12.386 716 HD1 TRP 91 HD TRP 91 3.463 -0.349 10.377 717 HE1 TRP 91 1HE TRP 91 3.065 2.108 9.720 718 HE3 TRP 91 3HE TRP 91 5.061 1.979 14.617 719 HZ2 TRP 91 2HZ TRP 91 3.396 4.712 10.850 720 HZ3 TRP 91 3HZ TRP 91 5.020 4.443 14.808 721 HH2 TRP 91 HH TRP 91 4.187 5.819 12.922 722 H GLN 92 H GLN 92 1.930 -3.071 14.806 723 HA GLN 92 HA GLN 92 4.064 -5.166 14.747 724 HB2 GLN 92 2HB GLN 92 1.829 -4.753 16.759 725 HB3 GLN 92 1HB GLN 92 3.051 -6.022 16.829 726 HG2 GLN 92 2HG GLN 92 4.825 -4.310 16.974 727 HG3 GLN 92 1HG GLN 92 3.599 -3.046 16.904 728 HE21 GLN 92 1HE2 GLN 92 5.312 -3.253 19.170 729 HE22 GLN 92 2HE2 GLN 92 4.388 -3.740 20.508 730 H SER 93 H SER 93 3.310 -7.397 14.538 731 HA SER 93 HA SER 93 0.836 -7.552 12.890 732 HB2 SER 93 2HB SER 93 2.895 -8.415 11.854 733 HB3 SER 93 1HB SER 93 3.130 -9.513 13.213 734 HG SER 93 HG SER 93 1.897 -10.822 12.132 735 H VAL 94 H VAL 94 -0.867 -8.866 13.499 736 HA VAL 94 HA VAL 94 -0.583 -10.341 16.091 737 HB VAL 94 HB VAL 94 -3.231 -9.753 16.033 738 HG11 VAL 94 1HG1 VAL 94 -0.857 -8.295 17.162 739 HG12 VAL 94 2HG1 VAL 94 -2.063 -9.271 18.000 740 HG13 VAL 94 3HG1 VAL 94 -2.481 -7.657 17.423 741 HG21 VAL 94 1HG2 VAL 94 -2.585 -8.356 13.892 742 HG22 VAL 94 2HG2 VAL 94 -2.015 -7.178 15.074 743 HG23 VAL 94 3HG2 VAL 94 -3.707 -7.677 15.072 744 HA PRO 95 HA PRO 95 -2.018 -14.003 14.123 745 HB2 PRO 95 2HB PRO 95 -4.130 -14.692 15.863 746 HB3 PRO 95 1HB PRO 95 -2.436 -15.186 16.021 747 HG2 PRO 95 2HG PRO 95 -3.916 -13.039 17.412 748 HG3 PRO 95 1HG PRO 95 -2.555 -14.025 17.970 749 HD2 PRO 95 2HD PRO 95 -2.251 -11.426 17.243 750 HD3 PRO 95 1HD PRO 95 -0.970 -12.634 16.995 751 H ASP 96 H ASP 96 -4.475 -11.658 15.073 752 HA ASP 96 HA ASP 96 -5.766 -11.924 12.458 753 HB2 ASP 96 2HB ASP 96 -6.779 -13.673 14.148 754 HB3 ASP 96 1HB ASP 96 -7.579 -12.249 14.815 755 H ASP 97 H ASP 97 -7.002 -10.048 11.985 756 HA ASP 97 HA ASP 97 -6.658 -7.860 13.973 757 HB2 ASP 97 2HB ASP 97 -6.946 -7.864 10.969 758 HB3 ASP 97 1HB ASP 97 -7.077 -6.397 11.938 759 H ASP 98 H ASP 98 -8.458 -7.335 15.073 760 HA ASP 98 HA ASP 98 -11.117 -8.077 14.101 761 HB2 ASP 98 2HB ASP 98 -10.173 -6.504 16.508 762 HB3 ASP 98 1HB ASP 98 -11.858 -6.916 16.200 763 H ARG 99 H ARG 99 -8.941 -5.523 13.803 764 HA ARG 99 HA ARG 99 -11.050 -3.598 12.972 765 HB2 ARG 99 2HB ARG 99 -9.088 -1.950 13.188 766 HB3 ARG 99 1HB ARG 99 -9.717 -2.621 14.694 767 HG2 ARG 99 2HG ARG 99 -7.935 -4.350 14.647 768 HG3 ARG 99 1HG ARG 99 -7.291 -3.630 13.171 769 HD2 ARG 99 2HD ARG 99 -6.943 -1.497 14.405 770 HD3 ARG 99 1HD ARG 99 -7.509 -2.284 15.879 771 HE ARG 99 HE ARG 99 -4.899 -2.677 14.611 772 HH11 ARG 99 1HH1 ARG 99 -3.489 -4.031 15.749 773 HH12 ARG 99 2HH1 ARG 99 -4.102 -5.012 17.038 774 HH21 ARG 99 1HH2 ARG 99 -7.365 -3.894 16.690 775 HH22 ARG 99 2HH2 ARG 99 -6.297 -4.935 17.570 776 H ALA 100 H ALA 100 -10.111 -5.793 11.294 777 HA ALA 100 HA ALA 100 -8.250 -4.566 9.374 778 HB1 ALA 100 1HB ALA 100 -9.095 -7.229 10.032 779 HB2 ALA 100 2HB ALA 100 -7.770 -6.726 8.982 780 HB3 ALA 100 3HB ALA 100 -9.389 -6.945 8.316 781 H SER 101 H SER 101 -8.800 -3.864 7.326 782 HA SER 101 HA SER 101 -11.723 -3.728 6.697 783 HB2 SER 101 2HB SER 101 -9.553 -1.721 6.012 784 HB3 SER 101 1HB SER 101 -11.250 -1.589 5.562 785 HG SER 101 HG SER 101 -10.551 -1.987 8.251 786 H GLU 102 H GLU 102 -12.164 -3.659 4.308 787 HA GLU 102 HA GLU 102 -10.145 -5.320 2.862 788 HB2 GLU 102 2HB GLU 102 -13.117 -4.991 2.358 789 HB3 GLU 102 1HB GLU 102 -12.034 -6.043 1.446 790 HG2 GLU 102 2HG GLU 102 -11.497 -7.266 3.544 791 HG3 GLU 102 1HG GLU 102 -12.653 -6.253 4.408 792 H ILE 103 H ILE 103 -9.355 -4.631 0.902 793 HA ILE 103 HA ILE 103 -10.348 -1.998 -0.117 794 HB ILE 103 HB ILE 103 -7.502 -3.043 -0.218 795 HG12 ILE 103 2HG1 ILE 103 -8.685 -0.866 1.532 796 HG13 ILE 103 1HG1 ILE 103 -8.307 -2.496 2.092 797 HG21 ILE 103 1HG2 ILE 103 -8.107 -0.168 -0.530 798 HG22 ILE 103 2HG2 ILE 103 -8.703 -1.188 -1.838 799 HG23 ILE 103 3HG2 ILE 103 -6.987 -1.186 -1.434 800 HD11 ILE 103 1HD1 ILE 103 -6.410 -0.354 1.135 801 HD12 ILE 103 2HD1 ILE 103 -5.935 -2.053 1.160 802 HD13 ILE 103 3HD1 ILE 103 -6.385 -1.241 2.660 803 H GLU 104 H GLU 104 -10.781 -1.929 -2.296 804 HA GLU 104 HA GLU 104 -10.201 -4.418 -3.861 805 HB2 GLU 104 2HB GLU 104 -12.624 -3.885 -3.484 806 HB3 GLU 104 1HB GLU 104 -12.382 -2.368 -4.351 807 HG2 GLU 104 2HG GLU 104 -11.595 -3.664 -6.331 808 HG3 GLU 104 1HG GLU 104 -11.957 -5.156 -5.464 809 H VAL 105 H VAL 105 -8.822 -4.173 -5.563 810 HA VAL 105 HA VAL 105 -8.511 -1.452 -6.737 811 HB VAL 105 HB VAL 105 -6.238 -3.374 -6.175 812 HG11 VAL 105 1HG1 VAL 105 -6.246 -0.478 -7.079 813 HG12 VAL 105 2HG1 VAL 105 -5.962 -1.860 -8.138 814 HG13 VAL 105 3HG1 VAL 105 -4.824 -1.494 -6.840 815 HG21 VAL 105 1HG2 VAL 105 -7.494 -1.212 -4.580 816 HG22 VAL 105 2HG2 VAL 105 -5.733 -1.167 -4.668 817 HG23 VAL 105 3HG2 VAL 105 -6.549 -2.601 -4.043 818 H ASP 106 H ASP 106 -8.564 -1.456 -8.956 819 HA ASP 106 HA ASP 106 -8.348 -4.117 -10.318 820 HB2 ASP 106 2HB ASP 106 -10.036 -1.721 -11.102 821 HB3 ASP 106 1HB ASP 106 -9.928 -3.237 -12.002 822 H PHE 107 H PHE 107 -6.807 -4.234 -11.924 823 HA PHE 107 HA PHE 107 -5.579 -1.659 -12.794 824 HB2 PHE 107 2HB PHE 107 -4.313 -4.416 -12.699 825 HB3 PHE 107 1HB PHE 107 -3.538 -2.941 -13.236 826 HD1 PHE 107 1HD PHE 107 -2.446 -1.534 -11.714 827 HD2 PHE 107 2HD PHE 107 -5.228 -4.468 -10.277 828 HE1 PHE 107 1HE PHE 107 -1.747 -1.051 -9.382 829 HE2 PHE 107 2HE PHE 107 -4.532 -3.989 -7.944 830 HZ PHE 107 HZ PHE 107 -2.782 -2.285 -7.495 831 H VAL 108 H VAL 108 -5.429 -1.272 -14.953 832 HA VAL 108 HA VAL 108 -6.226 -3.400 -16.871 833 HB VAL 108 HB VAL 108 -8.221 -2.231 -16.926 834 HG11 VAL 108 1HG1 VAL 108 -6.529 -0.004 -15.895 835 HG12 VAL 108 2HG1 VAL 108 -8.043 -0.640 -15.258 836 HG13 VAL 108 3HG1 VAL 108 -8.053 0.407 -16.677 837 HG21 VAL 108 1HG2 VAL 108 -6.870 -1.937 -19.113 838 HG22 VAL 108 2HG2 VAL 108 -6.629 -0.273 -18.581 839 HG23 VAL 108 3HG2 VAL 108 -8.260 -0.878 -18.872 840 HA PRO 109 HA PRO 109 -2.379 -1.559 -18.399 841 HB2 PRO 109 2HB PRO 109 -1.859 -3.333 -20.384 842 HB3 PRO 109 1HB PRO 109 -1.585 -3.701 -18.671 843 HG2 PRO 109 2HG PRO 109 -3.805 -4.534 -20.452 844 HG3 PRO 109 1HG PRO 109 -2.995 -5.430 -19.158 845 HD2 PRO 109 2HD PRO 109 -5.457 -4.180 -18.890 846 HD3 PRO 109 1HD PRO 109 -4.380 -4.577 -17.532 847 H ASN 110 H ASN 110 -1.984 -0.035 -19.927 848 HA ASN 110 HA ASN 110 -3.805 0.085 -22.281 849 HB2 ASN 110 2HB ASN 110 -4.227 1.909 -20.663 850 HB3 ASN 110 1HB ASN 110 -2.535 2.381 -20.787 851 HD21 ASN 110 1HD2 ASN 110 -5.454 1.926 -22.841 852 HD22 ASN 110 2HD2 ASN 110 -5.034 3.126 -23.966 853 H GLY 111 H GLY 111 -2.804 0.563 -24.286 854 HA2 GLY 111 2HA GLY 111 -0.001 -0.164 -24.460 855 HA3 GLY 111 1HA GLY 111 -1.013 0.364 -25.807 856 H SER 112 H SER 112 1.305 1.446 -26.101 857 HA SER 112 HA SER 112 2.463 3.481 -26.239 858 HB2 SER 112 2HB SER 112 -0.137 4.161 -26.474 859 HB3 SER 112 1HB SER 112 0.248 5.003 -24.977 860 HG SER 112 HG SER 112 1.524 6.316 -26.040 861 H GLY 113 H GLY 113 1.906 1.892 -23.535 862 HA2 GLY 113 2HA GLY 113 3.013 2.022 -21.448 863 HA3 GLY 113 1HA GLY 113 3.700 3.570 -21.958 864 H GLY 114 H GLY 114 0.573 2.139 -20.966 865 HA2 GLY 114 2HA GLY 114 0.104 4.564 -19.326 866 HA3 GLY 114 1HA GLY 114 -1.134 4.106 -20.491 867 H THR 115 H THR 115 -0.975 4.100 -17.420 868 HA THR 115 HA THR 115 -2.110 1.369 -17.091 869 HB THR 115 HB THR 115 -0.864 2.331 -14.649 870 HG1 THR 115 1HG THR 115 0.574 2.455 -17.009 871 HG21 THR 115 1HG2 THR 115 -1.379 0.039 -14.771 872 HG22 THR 115 2HG2 THR 115 0.370 0.085 -14.973 873 HG23 THR 115 3HG2 THR 115 -0.669 -0.140 -16.374 874 H ARG 116 H ARG 116 -4.166 1.578 -16.398 875 HA ARG 116 HA ARG 116 -4.891 4.033 -14.857 876 HB2 ARG 116 2HB ARG 116 -6.239 3.864 -16.821 877 HB3 ARG 116 1HB ARG 116 -6.540 2.148 -16.553 878 HG2 ARG 116 2HG ARG 116 -8.026 2.536 -14.806 879 HG3 ARG 116 1HG ARG 116 -7.330 4.114 -14.430 880 HD2 ARG 116 2HD ARG 116 -9.468 4.488 -15.478 881 HD3 ARG 116 1HD ARG 116 -8.222 4.941 -16.634 882 HE ARG 116 HE ARG 116 -9.960 2.544 -16.807 883 HH11 ARG 116 1HH1 ARG 116 -9.972 1.571 -18.838 884 HH12 ARG 116 2HH1 ARG 116 -8.842 2.089 -20.043 885 HH21 ARG 116 1HH2 ARG 116 -7.356 4.475 -18.022 886 HH22 ARG 116 2HH2 ARG 116 -7.367 3.726 -19.580 887 H VAL 117 H VAL 117 -5.089 3.684 -12.698 888 HA VAL 117 HA VAL 117 -5.913 0.947 -11.804 889 HB VAL 117 HB VAL 117 -4.002 2.848 -10.423 890 HG11 VAL 117 1HG1 VAL 117 -3.649 0.902 -8.908 891 HG12 VAL 117 2HG1 VAL 117 -4.929 0.036 -9.757 892 HG13 VAL 117 3HG1 VAL 117 -5.308 1.499 -8.847 893 HG21 VAL 117 1HG2 VAL 117 -2.619 1.966 -12.031 894 HG22 VAL 117 2HG2 VAL 117 -3.669 0.579 -12.317 895 HG23 VAL 117 3HG2 VAL 117 -2.588 0.593 -10.924 896 H GLU 118 H GLU 118 -7.513 0.832 -10.316 897 HA GLU 118 HA GLU 118 -8.551 3.424 -9.229 898 HB2 GLU 118 2HB GLU 118 -10.091 0.895 -9.909 899 HB3 GLU 118 1HB GLU 118 -10.786 2.357 -9.207 900 HG2 GLU 118 2HG GLU 118 -10.037 3.641 -11.200 901 HG3 GLU 118 1HG GLU 118 -9.428 2.146 -11.911 902 H LEU 119 H LEU 119 -7.653 3.410 -7.185 903 HA LEU 119 HA LEU 119 -7.833 0.890 -5.616 904 HB2 LEU 119 2HB LEU 119 -5.608 2.062 -5.858 905 HB3 LEU 119 1HB LEU 119 -6.289 3.408 -4.951 906 HG LEU 119 HG LEU 119 -6.617 0.721 -3.721 907 HD11 LEU 119 1HD1 LEU 119 -3.934 2.136 -3.795 908 HD12 LEU 119 2HD1 LEU 119 -4.304 0.631 -4.637 909 HD13 LEU 119 3HD1 LEU 119 -4.319 0.682 -2.874 910 HD21 LEU 119 1HD2 LEU 119 -6.583 1.938 -1.748 911 HD22 LEU 119 2HD2 LEU 119 -7.135 3.195 -2.853 912 HD23 LEU 119 3HD2 LEU 119 -5.439 3.123 -2.377 913 H ALA 120 H ALA 120 -9.329 0.757 -4.014 914 HA ALA 120 HA ALA 120 -10.424 3.307 -2.908 915 HB1 ALA 120 1HB ALA 120 -12.234 0.949 -3.198 916 HB2 ALA 120 2HB ALA 120 -11.873 1.891 -4.645 917 HB3 ALA 120 3HB ALA 120 -12.615 2.670 -3.248 918 H HIS 121 H HIS 121 -10.291 3.346 -0.738 919 HA HIS 121 HA HIS 121 -10.074 0.743 0.727 920 HB2 HIS 121 2HB HIS 121 -8.294 1.575 1.859 921 HB3 HIS 121 1HB HIS 121 -8.280 2.911 0.708 922 HD1 HIS 121 1HD HIS 121 -8.548 5.163 1.742 923 HD2 HIS 121 2HD HIS 121 -10.278 2.189 4.101 924 HE1 HIS 121 1HE HIS 121 -9.425 6.309 3.828 925 HE2 HIS 121 2HE HIS 121 -10.484 4.513 5.260 926 H VAL 122 H VAL 122 -11.457 0.530 2.581 927 HA VAL 122 HA VAL 122 -13.202 2.880 3.114 928 HB VAL 122 HB VAL 122 -15.200 1.498 3.000 929 HG11 VAL 122 1HG1 VAL 122 -13.482 1.127 0.537 930 HG12 VAL 122 2HG1 VAL 122 -14.314 2.625 0.961 931 HG13 VAL 122 3HG1 VAL 122 -15.245 1.170 0.597 932 HG21 VAL 122 1HG2 VAL 122 -13.228 -0.625 3.076 933 HG22 VAL 122 2HG2 VAL 122 -14.275 -0.816 1.670 934 HG23 VAL 122 3HG2 VAL 122 -14.977 -0.732 3.286 935 H LYS 123 H LYS 123 -13.970 3.096 5.131 936 HA LYS 123 HA LYS 123 -14.005 2.920 7.443 937 HB2 LYS 123 2HB LYS 123 -14.404 0.051 6.595 938 HB3 LYS 123 1HB LYS 123 -14.582 0.599 8.261 939 HG2 LYS 123 2HG LYS 123 -16.779 0.699 7.339 940 HG3 LYS 123 1HG LYS 123 -16.205 2.366 7.351 941 HD2 LYS 123 2HD LYS 123 -15.758 2.348 5.021 942 HD3 LYS 123 1HD LYS 123 -15.858 0.588 4.937 943 HE2 LYS 123 2HE LYS 123 -18.121 2.540 5.405 944 HE3 LYS 123 1HE LYS 123 -17.884 1.495 4.004 945 HZ1 LYS 123 1HZ LYS 123 -18.060 -0.425 5.536 946 HZ2 LYS 123 2HZ LYS 123 -19.487 0.493 5.436 947 HZ3 LYS 123 3HZ LYS 123 -18.469 0.644 6.788 948 H LEU 124 H LEU 124 -11.305 3.030 6.515 949 HA LEU 124 HA LEU 124 -9.783 0.936 7.842 950 HB2 LEU 124 2HB LEU 124 -9.185 3.147 6.152 951 HB3 LEU 124 1HB LEU 124 -8.273 3.366 7.644 952 HG LEU 124 HG LEU 124 -7.573 0.915 7.406 953 HD11 LEU 124 1HD1 LEU 124 -7.939 -0.220 5.399 954 HD12 LEU 124 2HD1 LEU 124 -8.223 1.267 4.495 955 HD13 LEU 124 3HD1 LEU 124 -9.463 0.650 5.588 956 HD21 LEU 124 1HD2 LEU 124 -5.862 1.496 5.649 957 HD22 LEU 124 2HD2 LEU 124 -6.005 2.689 6.940 958 HD23 LEU 124 3HD2 LEU 124 -6.744 2.997 5.370 959 H HIS 125 H HIS 125 -11.086 4.083 8.655 960 HA HIS 125 HA HIS 125 -9.756 4.842 10.940 961 HB2 HIS 125 2HB HIS 125 -11.582 6.173 10.130 962 HB3 HIS 125 1HB HIS 125 -12.729 4.870 10.439 963 HD1 HIS 125 1HD HIS 125 -9.994 6.227 12.719 964 HD2 HIS 125 2HD HIS 125 -14.143 5.795 12.646 965 HE1 HIS 125 1HE HIS 125 -10.830 6.948 14.999 966 HE2 HIS 125 2HE HIS 125 -13.355 6.698 14.962 967 H ARG 126 H ARG 126 -11.357 1.863 10.564 968 HA ARG 126 HA ARG 126 -12.334 1.331 13.143 969 HB2 ARG 126 2HB ARG 126 -10.821 -0.466 11.247 970 HB3 ARG 126 1HB ARG 126 -11.597 -1.049 12.719 971 HG2 ARG 126 2HG ARG 126 -13.759 -0.236 11.931 972 HG3 ARG 126 1HG ARG 126 -13.011 0.425 10.483 973 HD2 ARG 126 2HD ARG 126 -12.190 -1.919 9.970 974 HD3 ARG 126 1HD ARG 126 -13.233 -2.485 11.276 975 HE ARG 126 HE ARG 126 -14.127 -1.534 8.651 976 HH11 ARG 126 1HH1 ARG 126 -16.351 -1.709 8.290 977 HH12 ARG 126 2HH1 ARG 126 -17.410 -2.027 9.624 978 HH21 ARG 126 1HH2 ARG 126 -14.856 -2.126 11.968 979 HH22 ARG 126 2HH2 ARG 126 -16.563 -2.264 11.707 980 H HIS 127 H HIS 127 -8.993 1.508 11.999 981 HA HIS 127 HA HIS 127 -7.951 0.547 14.559 982 HB2 HIS 127 2HB HIS 127 -5.731 1.330 13.619 983 HB3 HIS 127 1HB HIS 127 -6.550 0.091 12.681 984 HD1 HIS 127 1HD HIS 127 -8.479 2.915 11.930 985 HD2 HIS 127 2HD HIS 127 -4.633 1.753 10.822 986 HE1 HIS 127 1HE HIS 127 -7.934 4.162 9.788 987 HE2 HIS 127 2HE HIS 127 -5.594 3.468 9.113 988 H GLY 128 H GLY 128 -8.591 3.665 13.069 989 HA2 GLY 128 2HA GLY 128 -8.071 5.857 13.885 990 HA3 GLY 128 1HA GLY 128 -9.108 5.246 15.174 991 H ASP 129 H ASP 129 -8.034 6.357 16.851 992 HA ASP 129 HA ASP 129 -6.281 6.854 18.355 993 HB2 ASP 129 2HB ASP 129 -7.000 4.524 18.955 994 HB3 ASP 129 1HB ASP 129 -5.716 3.908 17.914 995 H GLY 130 H GLY 130 -5.360 7.921 16.167 996 HA2 GLY 130 2HA GLY 130 -3.283 8.570 15.235 997 HA3 GLY 130 1HA GLY 130 -2.507 7.280 16.167 998 H ALA 131 H ALA 131 -5.264 6.809 14.045 999 HA ALA 131 HA ALA 131 -4.192 4.551 12.729 1000 HB1 ALA 131 1HB ALA 131 -6.442 4.670 12.349 1001 HB2 ALA 131 2HB ALA 131 -5.922 5.498 10.879 1002 HB3 ALA 131 3HB ALA 131 -6.444 6.431 12.281 1003 H TRP 132 H TRP 132 -4.396 7.931 11.509 1004 HA TRP 132 HA TRP 132 -2.958 7.410 9.108 1005 HB2 TRP 132 2HB TRP 132 -4.238 9.513 9.569 1006 HB3 TRP 132 1HB TRP 132 -2.947 10.010 10.667 1007 HD1 TRP 132 HD TRP 132 -0.502 10.390 9.569 1008 HE1 TRP 132 1HE TRP 132 0.162 11.108 7.184 1009 HE3 TRP 132 3HE TRP 132 -4.881 9.429 7.099 1010 HZ2 TRP 132 2HZ TRP 132 -1.002 11.254 4.585 1011 HZ3 TRP 132 3HZ TRP 132 -5.065 9.871 4.668 1012 HH2 TRP 132 HH TRP 132 -3.135 10.782 3.408 1013 H ASN 133 H ASN 133 -1.877 7.945 12.412 1014 HA ASN 133 HA ASN 133 0.852 8.559 11.931 1015 HB2 ASN 133 2HB ASN 133 -0.408 8.330 14.192 1016 HB3 ASN 133 1HB ASN 133 -0.028 6.612 14.069 1017 HD21 ASN 133 1HD2 ASN 133 1.890 6.067 15.095 1018 HD22 ASN 133 2HD2 ASN 133 3.229 7.095 15.280 1019 H ILE 134 H ILE 134 -0.860 5.462 12.024 1020 HA ILE 134 HA ILE 134 1.355 3.751 11.558 1021 HB ILE 134 HB ILE 134 -1.524 3.500 10.678 1022 HG12 ILE 134 2HG1 ILE 134 -0.063 2.331 13.065 1023 HG13 ILE 134 1HG1 ILE 134 -1.149 3.723 13.135 1024 HG21 ILE 134 1HG2 ILE 134 -0.321 0.986 11.106 1025 HG22 ILE 134 2HG2 ILE 134 0.798 1.914 10.106 1026 HG23 ILE 134 3HG2 ILE 134 -0.865 1.671 9.574 1027 HD11 ILE 134 1HD1 ILE 134 -2.542 1.692 11.737 1028 HD12 ILE 134 2HD1 ILE 134 -2.883 2.305 13.354 1029 HD13 ILE 134 3HD1 ILE 134 -1.815 0.918 13.144 1030 H HIS 135 H HIS 135 -0.844 5.478 9.399 1031 HA HIS 135 HA HIS 135 0.287 4.597 6.924 1032 HB2 HIS 135 2HB HIS 135 -1.911 5.667 7.004 1033 HB3 HIS 135 1HB HIS 135 -1.193 7.152 7.629 1034 HD1 HIS 135 1HD HIS 135 1.126 5.880 5.266 1035 HD2 HIS 135 2HD HIS 135 -2.452 7.991 4.968 1036 HE1 HIS 135 1HE HIS 135 1.115 6.897 2.954 1037 HE2 HIS 135 2HE HIS 135 -1.084 8.170 2.740 1038 H LYS 136 H LYS 136 1.117 7.175 9.180 1039 HA LYS 136 HA LYS 136 2.825 8.713 7.557 1040 HB2 LYS 136 2HB LYS 136 2.195 9.209 9.953 1041 HB3 LYS 136 1HB LYS 136 3.369 7.997 10.440 1042 HG2 LYS 136 2HG LYS 136 5.149 9.234 9.323 1043 HG3 LYS 136 1HG LYS 136 3.988 10.443 8.786 1044 HD2 LYS 136 2HD LYS 136 3.439 10.921 11.171 1045 HD3 LYS 136 1HD LYS 136 4.699 9.790 11.659 1046 HE2 LYS 136 2HE LYS 136 5.780 11.889 11.719 1047 HE3 LYS 136 1HE LYS 136 6.271 11.209 10.168 1048 HZ1 LYS 136 1HZ LYS 136 4.799 12.562 9.019 1049 HZ2 LYS 136 2HZ LYS 136 5.412 13.598 10.217 1050 HZ3 LYS 136 3HZ LYS 136 3.869 12.909 10.394 1051 H ALA 137 H ALA 137 3.425 5.607 9.172 1052 HA ALA 137 HA ALA 137 6.243 5.505 8.525 1053 HB1 ALA 137 1HB ALA 137 4.169 3.441 9.163 1054 HB2 ALA 137 2HB ALA 137 5.639 3.844 10.054 1055 HB3 ALA 137 3HB ALA 137 5.737 2.930 8.552 1056 H LEU 138 H LEU 138 3.292 4.375 6.910 1057 HA LEU 138 HA LEU 138 4.624 3.306 4.596 1058 HB2 LEU 138 2HB LEU 138 1.810 4.419 4.834 1059 HB3 LEU 138 1HB LEU 138 2.405 3.381 3.544 1060 HG LEU 138 HG LEU 138 2.214 2.646 6.478 1061 HD11 LEU 138 1HD1 LEU 138 0.693 0.840 5.293 1062 HD12 LEU 138 2HD1 LEU 138 0.567 2.072 4.036 1063 HD13 LEU 138 3HD1 LEU 138 0.039 2.431 5.680 1064 HD21 LEU 138 1HD2 LEU 138 2.736 0.322 5.327 1065 HD22 LEU 138 2HD2 LEU 138 4.054 1.413 5.751 1066 HD23 LEU 138 3HD2 LEU 138 3.475 1.337 4.087 1067 H ASP 139 H ASP 139 3.783 6.480 5.681 1068 HA ASP 139 HA ASP 139 4.653 8.524 4.853 1069 HB2 ASP 139 2HB ASP 139 6.227 6.845 3.541 1070 HB3 ASP 139 1HB ASP 139 5.248 7.368 2.180 1071 H GLY 140 H GLY 140 2.651 9.511 4.777 1072 HA2 GLY 140 2HA GLY 140 1.114 9.245 2.232 1073 HA3 GLY 140 1HA GLY 140 0.385 9.640 3.782 1074 HA PRO 141 HA PRO 141 2.952 13.534 2.427 1075 HB2 PRO 141 2HB PRO 141 3.225 13.756 -0.327 1076 HB3 PRO 141 1HB PRO 141 4.492 13.206 0.783 1077 HG2 PRO 141 2HG PRO 141 2.748 11.648 -1.015 1078 HG3 PRO 141 1HG PRO 141 4.395 11.316 -0.462 1079 HD2 PRO 141 2HD PRO 141 2.155 10.034 0.491 1080 HD3 PRO 141 1HD PRO 141 3.674 10.178 1.399 1081 H SER 142 H SER 142 1.800 15.433 2.176 1082 HA SER 142 HA SER 142 -0.979 15.204 1.294 1083 HB2 SER 142 2HB SER 142 -1.229 16.888 2.763 1084 HB3 SER 142 1HB SER 142 0.514 16.920 3.011 1085 HG SER 142 HG SER 142 -1.037 18.338 1.108 1086 HA PRO 143 HA PRO 143 0.845 18.446 -1.931 1087 HB2 PRO 143 2HB PRO 143 3.556 17.268 -2.220 1088 HB3 PRO 143 1HB PRO 143 3.065 18.972 -2.170 1089 HG2 PRO 143 2HG PRO 143 4.309 17.802 -0.117 1090 HG3 PRO 143 1HG PRO 143 3.069 19.046 0.119 1091 HD2 PRO 143 2HD PRO 143 2.864 16.085 0.495 1092 HD3 PRO 143 1HD PRO 143 2.077 17.395 1.405 1093 H GLY 144 H GLY 144 2.870 15.546 -2.457 1094 HA2 GLY 144 2HA GLY 144 1.466 15.091 -5.006 1095 HA3 GLY 144 1HA GLY 144 2.920 14.251 -4.462 1096 H GLU 145 H GLU 145 1.211 12.536 -5.408 1097 HA GLU 145 HA GLU 145 -0.278 11.443 -3.064 1098 HB2 GLU 145 2HB GLU 145 -0.880 11.097 -6.007 1099 HB3 GLU 145 1HB GLU 145 -1.787 10.361 -4.689 1100 HG2 GLU 145 2HG GLU 145 -1.439 13.345 -5.105 1101 HG3 GLU 145 1HG GLU 145 -2.885 12.427 -5.525 1102 H THR 146 H THR 146 -0.386 9.003 -3.095 1103 HA THR 146 HA THR 146 2.197 7.850 -3.281 1104 HB THR 146 HB THR 146 -0.539 6.580 -3.311 1105 HG1 THR 146 1HG THR 146 -0.306 6.547 -1.209 1106 HG21 THR 146 1HG2 THR 146 0.801 4.922 -4.283 1107 HG22 THR 146 2HG2 THR 146 0.856 4.527 -2.563 1108 HG23 THR 146 3HG2 THR 146 2.210 5.368 -3.320 1109 H LEU 147 H LEU 147 -0.467 7.956 -5.583 1110 HA LEU 147 HA LEU 147 0.697 6.211 -7.526 1111 HB2 LEU 147 2HB LEU 147 -1.294 8.470 -7.863 1112 HB3 LEU 147 1HB LEU 147 -0.936 7.231 -9.063 1113 HG LEU 147 HG LEU 147 -1.492 5.527 -7.185 1114 HD11 LEU 147 1HD1 LEU 147 -2.303 8.106 -5.946 1115 HD12 LEU 147 2HD1 LEU 147 -1.835 6.585 -5.191 1116 HD13 LEU 147 3HD1 LEU 147 -3.466 6.791 -5.820 1117 HD21 LEU 147 1HD2 LEU 147 -2.883 6.107 -9.244 1118 HD22 LEU 147 2HD2 LEU 147 -3.798 7.199 -8.203 1119 HD23 LEU 147 3HD2 LEU 147 -3.785 5.471 -7.871 1120 H ALA 148 H ALA 148 1.033 9.635 -6.821 1121 HA ALA 148 HA ALA 148 2.276 10.397 -9.297 1122 HB1 ALA 148 1HB ALA 148 3.097 11.968 -6.977 1123 HB2 ALA 148 2HB ALA 148 1.352 11.714 -7.043 1124 HB3 ALA 148 3HB ALA 148 2.185 12.464 -8.404 1125 H ARG 149 H ARG 149 3.740 9.711 -6.093 1126 HA ARG 149 HA ARG 149 6.405 10.166 -6.997 1127 HB2 ARG 149 2HB ARG 149 6.945 8.632 -4.943 1128 HB3 ARG 149 1HB ARG 149 6.224 10.219 -4.685 1129 HG2 ARG 149 2HG ARG 149 4.265 9.340 -3.941 1130 HG3 ARG 149 1HG ARG 149 4.277 8.055 -5.149 1131 HD2 ARG 149 2HD ARG 149 5.642 6.661 -3.845 1132 HD3 ARG 149 1HD ARG 149 6.233 8.002 -2.863 1133 HE ARG 149 HE ARG 149 3.591 8.001 -2.220 1134 HH11 ARG 149 1HH1 ARG 149 2.626 6.677 -0.665 1135 HH12 ARG 149 2HH1 ARG 149 3.333 5.140 -0.294 1136 HH21 ARG 149 1HH2 ARG 149 5.940 5.498 -2.552 1137 HH22 ARG 149 2HH2 ARG 149 5.209 4.472 -1.362 1138 H PHE 150 H PHE 150 4.708 7.031 -6.515 1139 HA PHE 150 HA PHE 150 6.921 5.500 -7.512 1140 HB2 PHE 150 2HB PHE 150 5.665 3.714 -6.967 1141 HB3 PHE 150 1HB PHE 150 4.543 4.886 -6.269 1142 HD1 PHE 150 1HD PHE 150 4.924 2.254 -8.583 1143 HD2 PHE 150 2HD PHE 150 2.868 5.967 -7.993 1144 HE1 PHE 150 1HE PHE 150 3.216 1.563 -10.239 1145 HE2 PHE 150 2HE PHE 150 1.145 5.282 -9.642 1146 HZ PHE 150 HZ PHE 150 1.329 3.070 -10.763 1147 H ALA 151 H ALA 151 4.082 6.921 -9.092 1148 HA ALA 151 HA ALA 151 4.465 5.603 -11.619 1149 HB1 ALA 151 1HB ALA 151 3.059 7.448 -12.525 1150 HB2 ALA 151 2HB ALA 151 3.189 8.279 -10.978 1151 HB3 ALA 151 3HB ALA 151 2.356 6.726 -11.078 1152 H ASN 152 H ASN 152 5.702 8.611 -10.247 1153 HA ASN 152 HA ASN 152 6.909 9.668 -12.598 1154 HB2 ASN 152 2HB ASN 152 7.714 9.930 -9.703 1155 HB3 ASN 152 1HB ASN 152 8.364 10.911 -11.008 1156 HD21 ASN 152 1HD2 ASN 152 6.853 12.004 -8.789 1157 HD22 ASN 152 2HD2 ASN 152 5.412 12.649 -9.418 1158 H VAL 153 H VAL 153 8.321 7.642 -10.035 1159 HA VAL 153 HA VAL 153 10.918 7.512 -11.227 1160 HB VAL 153 HB VAL 153 11.197 5.500 -9.724 1161 HG11 VAL 153 1HG1 VAL 153 10.790 6.886 -7.610 1162 HG12 VAL 153 2HG1 VAL 153 10.110 8.122 -8.671 1163 HG13 VAL 153 3HG1 VAL 153 11.800 7.645 -8.841 1164 HG21 VAL 153 1HG2 VAL 153 8.940 4.644 -9.716 1165 HG22 VAL 153 2HG2 VAL 153 8.316 6.180 -9.125 1166 HG23 VAL 153 3HG2 VAL 153 9.311 5.180 -8.079 1167 H ILE 154 H ILE 154 8.057 5.451 -11.565 1168 HA ILE 154 HA ILE 154 9.345 3.393 -13.071 1169 HB ILE 154 HB ILE 154 6.470 4.315 -13.015 1170 HG12 ILE 154 2HG1 ILE 154 7.850 1.938 -11.766 1171 HG13 ILE 154 1HG1 ILE 154 7.450 3.416 -10.908 1172 HG21 ILE 154 1HG2 ILE 154 7.888 2.279 -14.621 1173 HG22 ILE 154 2HG2 ILE 154 6.376 3.120 -14.952 1174 HG23 ILE 154 3HG2 ILE 154 6.395 1.738 -13.860 1175 HD11 ILE 154 1HD1 ILE 154 5.737 1.605 -10.608 1176 HD12 ILE 154 2HD1 ILE 154 5.407 1.695 -12.336 1177 HD13 ILE 154 3HD1 ILE 154 5.082 3.087 -11.302 1178 HBB 96F 201 HBB SUM 155 -1.439 11.252 -0.763 1179 HBC 96F 201 HBC SUM 155 0.249 10.785 -1.081 1180 HBA 96F 201 HBA SUM 155 -0.253 11.245 0.564 1181 HA2 96F 201 2HA SUM 155 -1.151 9.182 1.005 1182 HA1 96F 201 1HA SUM 155 -0.055 8.657 -0.292 1183 HAY 96F 201 HAY SUM 155 -3.652 8.898 0.612 1184 HAZ 96F 201 HAZ SUM 155 -4.205 9.364 -1.015 1185 HA0 96F 201 0HA SUM 155 -3.230 10.496 -0.052 1186 HBE 96F 201 HBE SUM 155 -2.767 9.859 -2.503 1187 H1 96F 201 HAV SUM 155 -3.027 7.274 -3.007 1188 HAS 96F 201 HAS SUM 155 -5.576 5.088 -3.033 1189 HAT 96F 201 HAT SUM 155 -5.903 5.440 -4.748 1190 HAU 96F 201 HAU SUM 155 -4.882 6.541 -3.794 1191 HAK 96F 201 HAK SUM 155 -4.762 4.348 -6.298 1192 HAF 96F 201 HAF SUM 155 -2.145 2.225 -9.742 1193 HAE 96F 201 HAE SUM 155 -0.090 1.038 -10.446 1194 HAD 96F 201 HAD SUM 155 1.806 0.790 -8.859 1195 HAR 96F 201 HAR SUM 155 2.637 2.167 -6.908 1196 HAQ 96F 201 HAQ SUM 155 -1.692 2.883 -2.256 Start of MODEL 7 1 H MET 1 1HT MET 1 -4.591 13.990 4.594 2 HA MET 1 HA MET 1 -3.437 12.387 5.653 3 HB2 MET 1 2HB MET 1 -1.379 13.024 7.057 4 HB3 MET 1 1HB MET 1 -1.242 13.241 5.311 5 HG2 MET 1 2HG MET 1 -1.735 15.617 5.523 6 HG3 MET 1 1HG MET 1 -2.027 15.434 7.252 7 HE1 MET 1 1HE MET 1 0.419 17.342 5.474 8 HE2 MET 1 2HE MET 1 1.187 17.514 7.050 9 HE3 MET 1 3HE MET 1 -0.570 17.527 6.930 10 HA PRO 2 HA PRO 2 -5.758 14.558 9.224 11 HB2 PRO 2 2HB PRO 2 -8.062 13.028 8.898 12 HB3 PRO 2 1HB PRO 2 -7.837 14.686 8.309 13 HG2 PRO 2 2HG PRO 2 -7.679 12.117 6.845 14 HG3 PRO 2 1HG PRO 2 -8.221 13.708 6.288 15 HD2 PRO 2 2HD PRO 2 -5.789 12.652 5.622 16 HD3 PRO 2 1HD PRO 2 -6.081 14.402 5.755 17 H GLU 3 H GLU 3 -6.170 13.552 11.255 18 HA GLU 3 HA GLU 3 -4.710 11.166 11.806 19 HB2 GLU 3 2HB GLU 3 -6.896 12.540 13.400 20 HB3 GLU 3 1HB GLU 3 -5.843 11.274 14.026 21 HG2 GLU 3 2HG GLU 3 -3.868 12.691 13.517 22 HG3 GLU 3 1HG GLU 3 -4.951 13.970 12.966 23 H GLU 4 H GLU 4 -8.053 11.746 10.927 24 HA GLU 4 HA GLU 4 -8.741 8.900 11.412 25 HB2 GLU 4 2HB GLU 4 -10.300 10.728 12.133 26 HB3 GLU 4 1HB GLU 4 -10.500 11.149 10.434 27 HG2 GLU 4 2HG GLU 4 -11.284 8.828 9.979 28 HG3 GLU 4 1HG GLU 4 -11.174 8.483 11.707 29 H ILE 5 H ILE 5 -9.253 7.497 9.714 30 HA ILE 5 HA ILE 5 -8.751 8.561 6.965 31 HB ILE 5 HB ILE 5 -8.412 5.679 7.325 32 HG12 ILE 5 2HG1 ILE 5 -7.608 6.427 9.529 33 HG13 ILE 5 1HG1 ILE 5 -6.288 5.841 8.527 34 HG21 ILE 5 1HG2 ILE 5 -6.676 7.903 6.260 35 HG22 ILE 5 2HG2 ILE 5 -7.747 6.871 5.310 36 HG23 ILE 5 3HG2 ILE 5 -6.328 6.183 6.103 37 HD11 ILE 5 1HD1 ILE 5 -6.691 8.628 8.015 38 HD12 ILE 5 2HD1 ILE 5 -5.266 7.819 8.667 39 HD13 ILE 5 3HD1 ILE 5 -6.536 8.377 9.753 40 HA PRO 6 HA PRO 6 -13.023 6.872 6.908 41 HB2 PRO 6 2HB PRO 6 -14.062 8.783 5.238 42 HB3 PRO 6 1HB PRO 6 -13.962 8.970 6.998 43 HG2 PRO 6 2HG PRO 6 -12.329 10.197 4.876 44 HG3 PRO 6 1HG PRO 6 -12.714 10.790 6.498 45 HD2 PRO 6 2HD PRO 6 -10.283 9.612 5.697 46 HD3 PRO 6 1HD PRO 6 -10.800 9.908 7.371 47 H ASP 7 H ASP 7 -14.329 6.108 4.965 48 HA ASP 7 HA ASP 7 -12.624 4.812 3.073 49 HB2 ASP 7 2HB ASP 7 -14.756 4.202 1.933 50 HB3 ASP 7 1HB ASP 7 -14.814 3.889 3.665 51 H VAL 8 H VAL 8 -11.742 5.605 1.248 52 HA VAL 8 HA VAL 8 -13.129 7.796 -0.199 53 HB VAL 8 HB VAL 8 -11.454 8.910 1.215 54 HG11 VAL 8 1HG1 VAL 8 -9.550 6.981 -0.136 55 HG12 VAL 8 2HG1 VAL 8 -9.837 7.188 1.591 56 HG13 VAL 8 3HG1 VAL 8 -9.013 8.448 0.679 57 HG21 VAL 8 1HG2 VAL 8 -10.657 8.772 -1.710 58 HG22 VAL 8 2HG2 VAL 8 -10.223 10.065 -0.591 59 HG23 VAL 8 3HG2 VAL 8 -11.912 9.809 -1.032 60 H ARG 9 H ARG 9 -12.888 7.670 -2.442 61 HA ARG 9 HA ARG 9 -11.225 5.382 -3.437 62 HB2 ARG 9 2HB ARG 9 -13.684 5.002 -3.631 63 HB3 ARG 9 1HB ARG 9 -13.801 6.458 -4.626 64 HG2 ARG 9 2HG ARG 9 -12.196 5.453 -6.240 65 HG3 ARG 9 1HG ARG 9 -12.170 3.981 -5.268 66 HD2 ARG 9 2HD ARG 9 -14.636 3.772 -5.583 67 HD3 ARG 9 1HD ARG 9 -14.592 5.182 -6.640 68 HE ARG 9 HE ARG 9 -12.720 3.455 -7.742 69 HH11 ARG 9 1HH1 ARG 9 -13.264 1.947 -9.336 70 HH12 ARG 9 2HH1 ARG 9 -14.897 1.383 -9.454 71 HH21 ARG 9 1HH2 ARG 9 -16.033 3.310 -6.804 72 HH22 ARG 9 2HH2 ARG 9 -16.465 2.154 -8.020 73 H LYS 10 H LYS 10 -9.642 5.970 -4.839 74 HA LYS 10 HA LYS 10 -9.994 8.495 -6.394 75 HB2 LYS 10 2HB LYS 10 -7.492 7.628 -4.912 76 HB3 LYS 10 1HB LYS 10 -7.599 9.016 -6.001 77 HG2 LYS 10 2HG LYS 10 -9.398 9.962 -4.546 78 HG3 LYS 10 1HG LYS 10 -9.149 8.623 -3.424 79 HD2 LYS 10 2HD LYS 10 -6.754 9.307 -3.208 80 HD3 LYS 10 1HD LYS 10 -7.099 10.709 -4.221 81 HE2 LYS 10 2HE LYS 10 -9.049 11.074 -2.450 82 HE3 LYS 10 1HE LYS 10 -7.968 10.137 -1.417 83 HZ1 LYS 10 1HZ LYS 10 -6.194 11.768 -2.316 84 HZ2 LYS 10 2HZ LYS 10 -7.238 12.272 -1.074 85 HZ3 LYS 10 3HZ LYS 10 -7.523 12.758 -2.676 86 H SER 11 H SER 11 -9.048 8.454 -8.466 87 HA SER 11 HA SER 11 -7.651 5.949 -9.266 88 HB2 SER 11 2HB SER 11 -9.026 5.766 -11.278 89 HB3 SER 11 1HB SER 11 -10.068 5.742 -9.855 90 HG SER 11 HG SER 11 -9.832 8.245 -10.416 91 H VAL 12 H VAL 12 -6.152 6.262 -10.981 92 HA VAL 12 HA VAL 12 -6.006 8.869 -12.315 93 HB VAL 12 HB VAL 12 -4.706 8.660 -9.884 94 HG11 VAL 12 1HG1 VAL 12 -2.345 8.477 -10.311 95 HG12 VAL 12 2HG1 VAL 12 -2.608 8.371 -12.049 96 HG13 VAL 12 3HG1 VAL 12 -3.102 7.040 -10.997 97 HG21 VAL 12 1HG2 VAL 12 -3.471 10.698 -10.700 98 HG22 VAL 12 2HG2 VAL 12 -5.209 10.747 -10.996 99 HG23 VAL 12 3HG2 VAL 12 -4.100 10.365 -12.313 100 H VAL 13 H VAL 13 -4.406 8.856 -14.061 101 HA VAL 13 HA VAL 13 -3.791 6.082 -14.939 102 HB VAL 13 HB VAL 13 -3.787 8.658 -16.543 103 HG11 VAL 13 1HG1 VAL 13 -2.773 6.034 -17.065 104 HG12 VAL 13 2HG1 VAL 13 -2.827 7.419 -18.156 105 HG13 VAL 13 3HG1 VAL 13 -4.182 6.292 -18.094 106 HG21 VAL 13 1HG2 VAL 13 -5.879 6.520 -16.097 107 HG22 VAL 13 2HG2 VAL 13 -5.896 7.553 -17.527 108 HG23 VAL 13 3HG2 VAL 13 -6.050 8.266 -15.921 109 H VAL 14 H VAL 14 -1.679 5.437 -15.130 110 HA VAL 14 HA VAL 14 0.436 7.537 -14.893 111 HB VAL 14 HB VAL 14 1.720 5.933 -13.474 112 HG11 VAL 14 1HG1 VAL 14 0.505 7.667 -12.334 113 HG12 VAL 14 2HG1 VAL 14 0.192 6.170 -11.458 114 HG13 VAL 14 3HG1 VAL 14 -1.023 6.818 -12.556 115 HG21 VAL 14 1HG2 VAL 14 -0.881 4.393 -13.643 116 HG22 VAL 14 2HG2 VAL 14 0.373 4.067 -12.448 117 HG23 VAL 14 3HG2 VAL 14 0.712 3.846 -14.164 118 H ALA 15 H ALA 15 2.585 6.761 -15.696 119 HA ALA 15 HA ALA 15 2.229 5.271 -18.196 120 HB1 ALA 15 1HB ALA 15 4.915 6.093 -17.157 121 HB2 ALA 15 2HB ALA 15 3.784 7.347 -17.666 122 HB3 ALA 15 3HB ALA 15 4.306 6.113 -18.813 123 H ALA 16 H ALA 16 1.848 3.074 -17.571 124 HA ALA 16 HA ALA 16 4.198 1.509 -17.082 125 HB1 ALA 16 1HB ALA 16 3.201 0.691 -14.749 126 HB2 ALA 16 2HB ALA 16 2.597 2.348 -14.710 127 HB3 ALA 16 3HB ALA 16 4.328 2.043 -14.848 128 H SER 17 H SER 17 3.644 -0.823 -16.722 129 HA SER 17 HA SER 17 1.033 -1.443 -17.996 130 HB2 SER 17 2HB SER 17 1.991 -3.598 -18.540 131 HB3 SER 17 1HB SER 17 3.193 -2.380 -18.954 132 HG SER 17 HG SER 17 4.452 -3.399 -17.628 133 H VAL 18 H VAL 18 -0.362 -3.044 -16.931 134 HA VAL 18 HA VAL 18 -0.463 -2.763 -14.101 135 HB VAL 18 HB VAL 18 -2.186 -4.508 -14.180 136 HG11 VAL 18 1HG1 VAL 18 -2.463 -2.836 -16.670 137 HG12 VAL 18 2HG1 VAL 18 -2.490 -2.097 -15.071 138 HG13 VAL 18 3HG1 VAL 18 -3.714 -3.289 -15.514 139 HG21 VAL 18 1HG2 VAL 18 -1.557 -6.186 -15.636 140 HG22 VAL 18 2HG2 VAL 18 -0.852 -5.058 -16.793 141 HG23 VAL 18 3HG2 VAL 18 -2.602 -5.266 -16.718 142 H GLU 19 H GLU 19 0.929 -5.296 -16.151 143 HA GLU 19 HA GLU 19 1.571 -7.121 -14.047 144 HB2 GLU 19 2HB GLU 19 1.721 -7.648 -16.500 145 HB3 GLU 19 1HB GLU 19 3.152 -6.623 -16.578 146 HG2 GLU 19 2HG GLU 19 4.231 -8.047 -14.841 147 HG3 GLU 19 1HG GLU 19 2.823 -9.110 -14.879 148 H HIS 20 H HIS 20 3.215 -4.305 -15.396 149 HA HIS 20 HA HIS 20 5.642 -4.546 -13.886 150 HB2 HIS 20 2HB HIS 20 5.644 -3.028 -15.739 151 HB3 HIS 20 1HB HIS 20 4.237 -2.165 -15.113 152 HD1 HIS 20 1HD HIS 20 7.910 -2.282 -14.923 153 HD2 HIS 20 2HD HIS 20 4.818 -0.685 -12.608 154 HE1 HIS 20 1HE HIS 20 8.978 -0.659 -13.302 155 HE2 HIS 20 2HE HIS 20 7.109 0.324 -11.907 156 H CYS 21 H CYS 21 2.557 -2.932 -13.259 157 HA CYS 21 HA CYS 21 3.188 -1.495 -10.953 158 HB2 CYS 21 2HB CYS 21 0.682 -3.086 -11.564 159 HB3 CYS 21 1HB CYS 21 0.812 -1.882 -10.288 160 HG CYS 21 HG CYS 21 1.666 -0.440 -12.676 161 H PHE 22 H PHE 22 2.375 -4.940 -11.258 162 HA PHE 22 HA PHE 22 2.754 -5.316 -8.381 163 HB2 PHE 22 2HB PHE 22 1.665 -6.894 -10.569 164 HB3 PHE 22 1HB PHE 22 2.699 -7.851 -9.495 165 HD1 PHE 22 1HD PHE 22 2.043 -8.351 -7.258 166 HD2 PHE 22 2HD PHE 22 -0.165 -5.494 -9.580 167 HE1 PHE 22 1HE PHE 22 0.318 -8.245 -5.478 168 HE2 PHE 22 2HE PHE 22 -1.893 -5.387 -7.815 169 HZ PHE 22 HZ PHE 22 -1.648 -6.754 -5.765 170 H GLU 23 H GLU 23 4.684 -5.672 -11.279 171 HA GLU 23 HA GLU 23 6.695 -7.384 -10.210 172 HB2 GLU 23 2HB GLU 23 6.615 -6.732 -12.597 173 HB3 GLU 23 1HB GLU 23 7.020 -5.079 -12.144 174 HG2 GLU 23 2HG GLU 23 9.139 -5.885 -11.140 175 HG3 GLU 23 1HG GLU 23 8.748 -7.523 -11.671 176 H VAL 24 H VAL 24 6.214 -3.886 -10.056 177 HA VAL 24 HA VAL 24 8.621 -3.323 -8.592 178 HB VAL 24 HB VAL 24 5.998 -1.820 -8.843 179 HG11 VAL 24 1HG1 VAL 24 8.060 -0.038 -8.245 180 HG12 VAL 24 2HG1 VAL 24 8.316 -1.388 -7.140 181 HG13 VAL 24 3HG1 VAL 24 6.768 -0.545 -7.160 182 HG21 VAL 24 1HG2 VAL 24 8.680 -1.671 -10.241 183 HG22 VAL 24 2HG2 VAL 24 7.484 -0.379 -10.332 184 HG23 VAL 24 3HG2 VAL 24 7.102 -1.981 -10.964 185 H PHE 25 H PHE 25 5.278 -4.029 -7.651 186 HA PHE 25 HA PHE 25 5.426 -3.483 -4.893 187 HB2 PHE 25 2HB PHE 25 3.901 -5.582 -6.440 188 HB3 PHE 25 1HB PHE 25 3.675 -5.328 -4.718 189 HD1 PHE 25 1HD PHE 25 1.262 -4.933 -5.473 190 HD2 PHE 25 2HD PHE 25 4.471 -2.243 -6.488 191 HE1 PHE 25 1HE PHE 25 -0.372 -3.139 -5.937 192 HE2 PHE 25 2HE PHE 25 2.834 -0.469 -6.936 193 HZ PHE 25 HZ PHE 25 0.419 -0.905 -6.659 194 H THR 26 H THR 26 6.228 -6.522 -6.585 195 HA THR 26 HA THR 26 7.281 -7.591 -4.033 196 HB THR 26 HB THR 26 7.365 -9.728 -5.193 197 HG1 THR 26 1HG THR 26 6.180 -9.129 -7.472 198 HG21 THR 26 1HG2 THR 26 5.196 -9.819 -4.596 199 HG22 THR 26 2HG2 THR 26 4.807 -9.309 -6.239 200 HG23 THR 26 3HG2 THR 26 4.970 -8.106 -4.961 201 H SER 27 H SER 27 8.534 -5.823 -6.602 202 HA SER 27 HA SER 27 11.108 -7.294 -6.600 203 HB2 SER 27 2HB SER 27 10.284 -6.635 -8.774 204 HB3 SER 27 1HB SER 27 10.163 -4.959 -8.254 205 HG SER 27 HG SER 27 12.472 -5.103 -7.843 206 H ARG 28 H ARG 28 9.875 -4.061 -5.625 207 HA ARG 28 HA ARG 28 11.958 -3.748 -3.689 208 HB2 ARG 28 2HB ARG 28 13.154 -1.836 -4.953 209 HB3 ARG 28 1HB ARG 28 13.570 -3.486 -5.384 210 HG2 ARG 28 2HG ARG 28 13.264 -2.385 -7.463 211 HG3 ARG 28 1HG ARG 28 11.769 -3.275 -7.232 212 HD2 ARG 28 2HD ARG 28 10.584 -1.310 -6.593 213 HD3 ARG 28 1HD ARG 28 12.077 -0.394 -6.366 214 HE ARG 28 HE ARG 28 12.040 -1.210 -9.061 215 HH11 ARG 28 1HH1 ARG 28 11.278 0.194 -10.662 216 HH12 ARG 28 2HH1 ARG 28 10.210 1.486 -10.225 217 HH21 ARG 28 1HH2 ARG 28 10.183 0.675 -6.853 218 HH22 ARG 28 2HH2 ARG 28 9.590 1.758 -8.068 219 HA PRO 29 HA PRO 29 8.270 -0.725 -3.943 220 HB2 PRO 29 2HB PRO 29 7.426 -1.423 -1.367 221 HB3 PRO 29 1HB PRO 29 6.693 -1.964 -2.887 222 HG2 PRO 29 2HG PRO 29 8.593 -3.364 -1.100 223 HG3 PRO 29 1HG PRO 29 7.294 -4.008 -2.110 224 HD2 PRO 29 2HD PRO 29 9.903 -4.247 -2.815 225 HD3 PRO 29 1HD PRO 29 8.612 -4.069 -4.022 226 H ALA 30 H ALA 30 10.481 -1.560 -1.305 227 HA ALA 30 HA ALA 30 10.247 1.023 -0.014 228 HB1 ALA 30 1HB ALA 30 12.266 0.243 1.251 229 HB2 ALA 30 2HB ALA 30 12.280 -1.193 0.238 230 HB3 ALA 30 3HB ALA 30 10.910 -0.881 1.302 231 H ASP 31 H ASP 31 12.555 -0.395 -2.301 232 HA ASP 31 HA ASP 31 14.583 1.542 -2.191 233 HB2 ASP 31 2HB ASP 31 14.510 -0.581 -3.618 234 HB3 ASP 31 1HB ASP 31 13.602 0.371 -4.794 235 H TRP 32 H TRP 32 11.410 1.772 -3.752 236 HA TRP 32 HA TRP 32 12.160 4.470 -4.759 237 HB2 TRP 32 2HB TRP 32 10.742 4.053 -6.467 238 HB3 TRP 32 1HB TRP 32 10.513 2.426 -5.830 239 HD1 TRP 32 HD TRP 32 9.117 5.972 -5.160 240 HE1 TRP 32 1HE TRP 32 6.633 5.759 -4.536 241 HE3 TRP 32 3HE TRP 32 8.592 0.919 -5.413 242 HZ2 TRP 32 2HZ TRP 32 4.686 3.710 -4.199 243 HZ3 TRP 32 3HZ TRP 32 6.384 -0.144 -4.956 244 HH2 TRP 32 HH TRP 32 4.431 1.253 -4.355 245 H TRP 33 H TRP 33 11.931 6.000 -3.203 246 HA TRP 33 HA TRP 33 9.584 5.792 -1.358 247 HB2 TRP 33 2HB TRP 33 11.476 7.715 -0.429 248 HB3 TRP 33 1HB TRP 33 11.048 6.170 0.304 249 HD1 TRP 33 HD TRP 33 12.770 4.268 0.184 250 HE1 TRP 33 1HE TRP 33 15.096 3.995 -0.894 251 HE3 TRP 33 3HE TRP 33 12.945 8.527 -2.628 252 HZ2 TRP 33 2HZ TRP 33 16.805 5.398 -2.709 253 HZ3 TRP 33 3HZ TRP 33 14.932 9.034 -4.019 254 HH2 TRP 33 HH TRP 33 16.860 7.476 -4.064 255 HA PRO 34 HA PRO 34 8.013 9.609 -2.924 256 HB2 PRO 34 2HB PRO 34 7.008 10.794 -0.679 257 HB3 PRO 34 1HB PRO 34 6.258 9.378 -1.438 258 HG2 PRO 34 2HG PRO 34 8.005 9.537 0.962 259 HG3 PRO 34 1HG PRO 34 6.593 8.513 0.657 260 HD2 PRO 34 2HD PRO 34 9.189 7.618 0.453 261 HD3 PRO 34 1HD PRO 34 7.827 6.909 -0.444 262 HA PRO 35 HA PRO 35 11.068 12.792 -2.304 263 HB2 PRO 35 2HB PRO 35 9.708 14.988 -3.194 264 HB3 PRO 35 1HB PRO 35 10.339 13.733 -4.279 265 HG2 PRO 35 2HG PRO 35 7.567 14.163 -3.290 266 HG3 PRO 35 1HG PRO 35 8.131 13.643 -4.886 267 HD2 PRO 35 2HD PRO 35 7.130 11.910 -2.999 268 HD3 PRO 35 1HD PRO 35 8.292 11.432 -4.257 269 H SER 36 H SER 36 8.397 14.991 -1.824 270 HA SER 36 HA SER 36 7.933 16.423 -0.017 271 HB2 SER 36 2HB SER 36 6.824 14.402 0.792 272 HB3 SER 36 1HB SER 36 8.347 13.789 1.428 273 HG SER 36 HG SER 36 7.874 14.868 3.157 274 H HIS 37 H HIS 37 8.833 17.038 2.314 275 HA HIS 37 HA HIS 37 11.506 17.934 1.987 276 HB2 HIS 37 2HB HIS 37 9.859 18.907 3.596 277 HB3 HIS 37 1HB HIS 37 10.040 17.470 4.603 278 HD1 HIS 37 1HD HIS 37 12.360 20.060 3.002 279 HD2 HIS 37 2HD HIS 37 12.016 17.804 6.494 280 HE1 HIS 37 1HE HIS 37 14.296 20.740 4.490 281 HE2 HIS 37 2HE HIS 37 14.096 19.373 6.617 282 H VAL 38 H VAL 38 10.220 15.119 3.753 283 HA VAL 38 HA VAL 38 13.019 14.057 3.883 284 HB VAL 38 HB VAL 38 10.718 13.446 5.762 285 HG11 VAL 38 1HG1 VAL 38 12.496 12.386 7.119 286 HG12 VAL 38 2HG1 VAL 38 13.673 12.762 5.860 287 HG13 VAL 38 3HG1 VAL 38 12.363 11.627 5.533 288 HG21 VAL 38 1HG2 VAL 38 12.971 15.433 5.854 289 HG22 VAL 38 2HG2 VAL 38 12.394 14.709 7.355 290 HG23 VAL 38 3HG2 VAL 38 11.288 15.637 6.341 291 H LEU 39 H LEU 39 13.329 12.121 2.848 292 HA LEU 39 HA LEU 39 11.321 11.000 1.170 293 HB2 LEU 39 2HB LEU 39 13.778 9.616 2.292 294 HB3 LEU 39 1HB LEU 39 12.880 9.141 0.851 295 HG LEU 39 HG LEU 39 14.376 11.751 1.240 296 HD11 LEU 39 1HD1 LEU 39 15.096 9.130 0.181 297 HD12 LEU 39 2HD1 LEU 39 16.128 10.517 0.527 298 HD13 LEU 39 3HD1 LEU 39 15.297 10.401 -1.025 299 HD21 LEU 39 1HD2 LEU 39 13.813 11.815 -1.330 300 HD22 LEU 39 2HD2 LEU 39 12.600 12.342 -0.164 301 HD23 LEU 39 3HD2 LEU 39 12.498 10.731 -0.875 302 H VAL 40 H VAL 40 12.509 9.956 4.370 303 HA VAL 40 HA VAL 40 9.894 8.804 4.986 304 HB VAL 40 HB VAL 40 10.908 6.987 3.661 305 HG11 VAL 40 1HG1 VAL 40 12.948 5.852 4.604 306 HG12 VAL 40 2HG1 VAL 40 13.142 7.222 5.696 307 HG13 VAL 40 3HG1 VAL 40 13.258 7.460 3.954 308 HG21 VAL 40 1HG2 VAL 40 9.458 6.367 5.528 309 HG22 VAL 40 2HG2 VAL 40 10.821 6.447 6.639 310 HG23 VAL 40 3HG2 VAL 40 10.778 5.206 5.392 311 H LYS 41 H LYS 41 9.631 8.591 7.256 312 HA LYS 41 HA LYS 41 11.409 10.084 8.924 313 HB2 LYS 41 2HB LYS 41 9.002 9.634 9.445 314 HB3 LYS 41 1HB LYS 41 9.437 7.962 9.794 315 HG2 LYS 41 2HG LYS 41 11.025 8.753 11.531 316 HG3 LYS 41 1HG LYS 41 10.518 10.412 11.213 317 HD2 LYS 41 2HD LYS 41 8.170 9.745 11.777 318 HD3 LYS 41 1HD LYS 41 8.774 8.153 12.234 319 HE2 LYS 41 2HE LYS 41 10.269 9.218 13.904 320 HE3 LYS 41 1HE LYS 41 9.602 10.793 13.475 321 HZ1 LYS 41 1HZ LYS 41 7.991 8.507 14.471 322 HZ2 LYS 41 2HZ LYS 41 7.445 10.092 14.189 323 HZ3 LYS 41 3HZ LYS 41 8.547 9.780 15.444 324 H LYS 42 H LYS 42 11.092 6.626 8.290 325 HA LYS 42 HA LYS 42 13.660 6.183 9.761 326 HB2 LYS 42 2HB LYS 42 12.895 3.940 10.275 327 HB3 LYS 42 1HB LYS 42 11.622 5.061 10.759 328 HG2 LYS 42 2HG LYS 42 10.511 4.663 8.543 329 HG3 LYS 42 1HG LYS 42 11.719 3.422 8.210 330 HD2 LYS 42 2HD LYS 42 11.016 2.339 10.411 331 HD3 LYS 42 1HD LYS 42 9.635 3.437 10.397 332 HE2 LYS 42 2HE LYS 42 9.516 2.485 7.857 333 HE3 LYS 42 1HE LYS 42 10.194 1.083 8.686 334 HZ1 LYS 42 1HZ LYS 42 8.004 0.707 9.057 335 HZ2 LYS 42 2HZ LYS 42 7.582 2.352 9.002 336 HZ3 LYS 42 3HZ LYS 42 8.304 1.703 10.396 337 H GLU 43 H GLU 43 15.151 4.698 8.691 338 HA GLU 43 HA GLU 43 14.869 4.788 5.769 339 HB2 GLU 43 2HB GLU 43 17.041 5.278 6.903 340 HB3 GLU 43 1HB GLU 43 17.098 3.596 7.415 341 HG2 GLU 43 2HG GLU 43 16.969 2.892 5.030 342 HG3 GLU 43 1HG GLU 43 17.027 4.591 4.556 343 H ARG 44 H ARG 44 14.008 3.169 4.613 344 HA ARG 44 HA ARG 44 13.106 0.703 5.790 345 HB2 ARG 44 2HB ARG 44 13.534 1.432 2.873 346 HB3 ARG 44 1HB ARG 44 12.583 0.068 3.473 347 HG2 ARG 44 2HG ARG 44 11.093 1.606 4.675 348 HG3 ARG 44 1HG ARG 44 12.048 2.978 4.128 349 HD2 ARG 44 2HD ARG 44 11.533 2.330 1.765 350 HD3 ARG 44 1HD ARG 44 10.462 1.073 2.386 351 HE ARG 44 HE ARG 44 9.444 3.254 3.625 352 HH11 ARG 44 1HH1 ARG 44 8.001 4.742 2.729 353 HH12 ARG 44 2HH1 ARG 44 7.994 5.001 1.016 354 HH21 ARG 44 1HH2 ARG 44 10.523 2.715 0.390 355 HH22 ARG 44 2HH2 ARG 44 9.420 3.854 -0.306 356 H ALA 45 H ALA 45 14.064 -1.352 5.720 357 HA ALA 45 HA ALA 45 16.945 -1.368 4.910 358 HB1 ALA 45 1HB ALA 45 17.125 -1.862 7.130 359 HB2 ALA 45 2HB ALA 45 16.722 -3.489 6.580 360 HB3 ALA 45 3HB ALA 45 15.463 -2.445 7.238 361 H GLY 46 H GLY 46 14.081 -3.516 5.132 362 HA2 GLY 46 2HA GLY 46 14.900 -4.752 2.580 363 HA3 GLY 46 1HA GLY 46 14.922 -5.822 3.979 364 H LEU 47 H LEU 47 13.235 -6.549 2.015 365 HA LEU 47 HA LEU 47 10.646 -6.249 3.323 366 HB2 LEU 47 2HB LEU 47 9.483 -5.508 1.240 367 HB3 LEU 47 1HB LEU 47 10.592 -4.291 1.878 368 HG LEU 47 HG LEU 47 12.236 -5.763 0.261 369 HD11 LEU 47 1HD1 LEU 47 9.509 -5.580 -1.041 370 HD12 LEU 47 2HD1 LEU 47 10.353 -7.063 -0.609 371 HD13 LEU 47 3HD1 LEU 47 10.997 -6.022 -1.877 372 HD21 LEU 47 1HD2 LEU 47 11.678 -3.840 -1.430 373 HD22 LEU 47 2HD2 LEU 47 12.390 -3.441 0.130 374 HD23 LEU 47 3HD2 LEU 47 10.657 -3.237 -0.126 375 H ALA 48 H ALA 48 9.364 -8.013 3.019 376 HA ALA 48 HA ALA 48 10.409 -10.083 1.139 377 HB1 ALA 48 1HB ALA 48 8.466 -10.896 3.223 378 HB2 ALA 48 2HB ALA 48 10.029 -10.349 3.837 379 HB3 ALA 48 3HB ALA 48 9.950 -11.693 2.699 380 H PHE 49 H PHE 49 8.951 -10.963 -0.359 381 HA PHE 49 HA PHE 49 6.126 -10.034 -0.223 382 HB2 PHE 49 2HB PHE 49 8.190 -9.190 -2.135 383 HB3 PHE 49 1HB PHE 49 6.723 -9.798 -2.897 384 HD1 PHE 49 1HD PHE 49 8.083 -7.289 -0.550 385 HD2 PHE 49 2HD PHE 49 4.649 -8.591 -2.767 386 HE1 PHE 49 1HE PHE 49 6.974 -5.123 -0.102 387 HE2 PHE 49 2HE PHE 49 3.535 -6.425 -2.321 388 HZ PHE 49 HZ PHE 49 4.698 -4.692 -0.996 389 H GLU 50 H GLU 50 4.837 -11.801 -0.583 390 HA GLU 50 HA GLU 50 5.855 -13.814 -2.557 391 HB2 GLU 50 2HB GLU 50 6.231 -14.750 -0.342 392 HB3 GLU 50 1HB GLU 50 4.577 -14.415 0.122 393 HG2 GLU 50 2HG GLU 50 4.508 -16.692 -0.448 394 HG3 GLU 50 1HG GLU 50 3.948 -15.917 -1.926 395 HA PRO 51 HA PRO 51 1.716 -12.927 -4.085 396 HB2 PRO 51 2HB PRO 51 1.659 -14.495 -6.251 397 HB3 PRO 51 1HB PRO 51 2.748 -13.097 -6.150 398 HG2 PRO 51 2HG PRO 51 3.349 -15.992 -5.766 399 HG3 PRO 51 1HG PRO 51 4.291 -14.748 -6.607 400 HD2 PRO 51 2HD PRO 51 4.800 -15.604 -4.016 401 HD3 PRO 51 1HD PRO 51 5.305 -14.036 -4.682 402 H PHE 52 H PHE 52 -0.337 -13.733 -3.680 403 HA PHE 52 HA PHE 52 -1.258 -16.377 -3.942 404 HB2 PHE 52 2HB PHE 52 -1.334 -16.798 -1.312 405 HB3 PHE 52 1HB PHE 52 0.039 -17.329 -2.278 406 HD1 PHE 52 1HD PHE 52 -0.462 -13.715 -1.704 407 HD2 PHE 52 2HD PHE 52 1.501 -17.265 -0.280 408 HE1 PHE 52 1HE PHE 52 1.082 -12.326 -0.395 409 HE2 PHE 52 2HE PHE 52 3.026 -15.851 1.074 410 HZ PHE 52 HZ PHE 52 2.803 -13.375 1.018 411 H VAL 53 H VAL 53 -3.162 -16.732 -2.137 412 HA VAL 53 HA VAL 53 -4.746 -14.212 -2.181 413 HB VAL 53 HB VAL 53 -6.420 -15.596 -2.810 414 HG11 VAL 53 1HG1 VAL 53 -4.613 -17.921 -2.102 415 HG12 VAL 53 2HG1 VAL 53 -4.632 -17.086 -3.657 416 HG13 VAL 53 3HG1 VAL 53 -6.050 -17.990 -3.122 417 HG21 VAL 53 1HG2 VAL 53 -5.945 -17.090 -0.209 418 HG22 VAL 53 2HG2 VAL 53 -7.418 -17.112 -1.174 419 HG23 VAL 53 3HG2 VAL 53 -6.922 -15.627 -0.368 420 H GLY 54 H GLY 54 -5.492 -13.331 -0.127 421 HA2 GLY 54 2HA GLY 54 -5.362 -13.031 2.236 422 HA3 GLY 54 1HA GLY 54 -5.135 -14.786 2.363 423 H GLY 55 H GLY 55 -3.310 -12.738 0.309 424 HA2 GLY 55 2HA GLY 55 -0.807 -13.799 1.107 425 HA3 GLY 55 1HA GLY 55 -1.078 -12.456 0.006 426 H ARG 56 H ARG 56 1.123 -12.195 1.336 427 HA ARG 56 HA ARG 56 0.528 -10.017 3.241 428 HB2 ARG 56 2HB ARG 56 2.205 -12.441 3.919 429 HB3 ARG 56 1HB ARG 56 2.208 -10.951 4.863 430 HG2 ARG 56 2HG ARG 56 -0.264 -11.187 5.159 431 HG3 ARG 56 1HG ARG 56 -0.181 -12.740 4.329 432 HD2 ARG 56 2HD ARG 56 1.280 -12.022 6.887 433 HD3 ARG 56 1HD ARG 56 -0.135 -13.066 6.767 434 HE ARG 56 HE ARG 56 2.601 -13.826 6.134 435 HH11 ARG 56 1HH1 ARG 56 2.885 -15.950 5.420 436 HH12 ARG 56 2HH1 ARG 56 1.512 -16.863 4.891 437 HH21 ARG 56 1HH2 ARG 56 -0.748 -14.298 5.471 438 HH22 ARG 56 2HH2 ARG 56 -0.545 -15.928 4.920 439 H TYR 57 H TYR 57 2.077 -8.458 3.348 440 HA TYR 57 HA TYR 57 4.537 -8.775 1.683 441 HB2 TYR 57 2HB TYR 57 3.007 -6.198 2.161 442 HB3 TYR 57 1HB TYR 57 4.401 -6.413 1.110 443 HD1 TYR 57 1HD TYR 57 3.743 -8.933 -0.338 444 HD2 TYR 57 2HD TYR 57 1.232 -5.620 0.770 445 HE1 TYR 57 1HE TYR 57 2.220 -9.461 -2.208 446 HE2 TYR 57 2HE TYR 57 -0.288 -6.152 -1.114 447 HH TYR 57 HH TYR 57 0.516 -8.038 -3.648 448 H TYR 58 H TYR 58 6.448 -8.100 2.696 449 HA TYR 58 HA TYR 58 6.141 -7.182 5.534 450 HB2 TYR 58 2HB TYR 58 8.310 -8.962 4.412 451 HB3 TYR 58 1HB TYR 58 8.008 -8.587 6.103 452 HD1 TYR 58 1HD TYR 58 6.653 -10.007 7.381 453 HD2 TYR 58 2HD TYR 58 6.305 -10.046 3.101 454 HE1 TYR 58 1HE TYR 58 5.059 -11.900 7.520 455 HE2 TYR 58 2HE TYR 58 4.707 -11.923 3.242 456 HH TYR 58 HH TYR 58 4.399 -13.890 5.630 457 H GLU 59 H GLU 59 7.666 -5.723 6.344 458 HA GLU 59 HA GLU 59 9.703 -4.632 4.450 459 HB2 GLU 59 2HB GLU 59 7.608 -3.163 4.618 460 HB3 GLU 59 1HB GLU 59 8.104 -2.849 6.281 461 HG2 GLU 59 2HG GLU 59 10.298 -2.058 5.464 462 HG3 GLU 59 1HG GLU 59 9.783 -2.360 3.800 463 H TRP 60 H TRP 60 11.636 -4.067 5.472 464 HA TRP 60 HA TRP 60 11.844 -4.947 8.318 465 HB2 TRP 60 2HB TRP 60 13.531 -5.148 5.935 466 HB3 TRP 60 1HB TRP 60 14.412 -4.549 7.340 467 HD1 TRP 60 HD TRP 60 13.836 -6.107 9.683 468 HE1 TRP 60 1HE TRP 60 13.881 -8.690 9.805 469 HE3 TRP 60 3HE TRP 60 13.324 -7.248 4.731 470 HZ2 TRP 60 2HZ TRP 60 13.682 -10.937 8.024 471 HZ3 TRP 60 3HZ TRP 60 13.251 -9.600 3.971 472 HH2 TRP 60 HH TRP 60 13.435 -11.444 5.608 473 H ASP 61 H ASP 61 12.303 -3.412 9.879 474 HA ASP 61 HA ASP 61 13.166 -0.721 8.856 475 HB2 ASP 61 2HB ASP 61 12.527 -0.627 11.639 476 HB3 ASP 61 1HB ASP 61 11.699 0.160 10.302 477 H ILE 62 H ILE 62 15.081 0.164 9.609 478 HA ILE 62 HA ILE 62 17.226 -1.497 10.268 479 HB ILE 62 HB ILE 62 17.543 1.125 11.487 480 HG12 ILE 62 2HG1 ILE 62 17.321 2.304 9.248 481 HG13 ILE 62 1HG1 ILE 62 16.382 0.914 8.724 482 HG21 ILE 62 1HG2 ILE 62 19.343 -0.372 10.606 483 HG22 ILE 62 2HG2 ILE 62 19.383 1.244 9.900 484 HG23 ILE 62 3HG2 ILE 62 18.712 -0.102 8.980 485 HD11 ILE 62 1HD1 ILE 62 15.234 1.532 11.159 486 HD12 ILE 62 2HD1 ILE 62 14.592 2.012 9.589 487 HD13 ILE 62 3HD1 ILE 62 15.617 3.121 10.498 488 H ASP 63 H ASP 63 15.220 0.384 12.532 489 HA ASP 63 HA ASP 63 16.508 -1.113 14.768 490 HB2 ASP 63 2HB ASP 63 14.762 1.371 14.754 491 HB3 ASP 63 1HB ASP 63 15.362 0.584 16.213 492 H GLY 64 H GLY 64 13.933 -1.235 12.714 493 HA2 GLY 64 2HA GLY 64 12.181 -2.508 14.749 494 HA3 GLY 64 1HA GLY 64 11.582 -1.790 13.264 495 H THR 65 H THR 65 11.718 -4.539 14.571 496 HA THR 65 HA THR 65 13.133 -6.349 12.904 497 HB THR 65 HB THR 65 10.510 -7.122 14.086 498 HG1 THR 65 1HG THR 65 11.002 -6.143 15.862 499 HG21 THR 65 1HG2 THR 65 11.537 -9.150 14.381 500 HG22 THR 65 2HG2 THR 65 13.091 -8.418 14.778 501 HG23 THR 65 3HG2 THR 65 12.580 -8.541 13.097 502 H GLU 66 H GLU 66 11.607 -8.094 11.695 503 HA GLU 66 HA GLU 66 10.443 -6.666 9.424 504 HB2 GLU 66 2HB GLU 66 11.708 -8.919 9.356 505 HB3 GLU 66 1HB GLU 66 10.233 -9.628 9.974 506 HG2 GLU 66 2HG GLU 66 9.004 -8.598 8.083 507 HG3 GLU 66 1HG GLU 66 10.544 -8.065 7.416 508 H ILE 67 H ILE 67 8.195 -6.552 8.959 509 HA ILE 67 HA ILE 67 6.333 -7.992 10.752 510 HB ILE 67 HB ILE 67 6.826 -5.842 11.910 511 HG12 ILE 67 2HG1 ILE 67 4.026 -5.782 10.801 512 HG13 ILE 67 1HG1 ILE 67 4.550 -7.065 11.891 513 HG21 ILE 67 1HG2 ILE 67 6.844 -3.872 10.807 514 HG22 ILE 67 2HG2 ILE 67 5.273 -4.198 10.077 515 HG23 ILE 67 3HG2 ILE 67 6.742 -4.809 9.316 516 HD11 ILE 67 1HD1 ILE 67 4.648 -4.092 12.479 517 HD12 ILE 67 2HD1 ILE 67 5.193 -5.368 13.567 518 HD13 ILE 67 3HD1 ILE 67 3.484 -5.235 13.152 519 H VAL 68 H VAL 68 4.064 -7.808 10.020 520 HA VAL 68 HA VAL 68 3.936 -7.487 7.058 521 HB VAL 68 HB VAL 68 1.837 -8.658 8.907 522 HG11 VAL 68 1HG1 VAL 68 1.068 -7.992 6.667 523 HG12 VAL 68 2HG1 VAL 68 1.073 -9.748 6.822 524 HG13 VAL 68 3HG1 VAL 68 2.362 -8.938 5.933 525 HG21 VAL 68 1HG2 VAL 68 4.416 -9.726 8.122 526 HG22 VAL 68 2HG2 VAL 68 3.105 -10.724 7.488 527 HG23 VAL 68 3HG2 VAL 68 3.218 -10.411 9.220 528 H TRP 69 H TRP 69 2.981 -5.636 6.290 529 HA TRP 69 HA TRP 69 1.299 -4.091 8.232 530 HB2 TRP 69 2HB TRP 69 1.897 -2.348 6.184 531 HB3 TRP 69 1HB TRP 69 2.744 -2.448 7.726 532 HD1 TRP 69 HD TRP 69 5.073 -3.694 7.784 533 HE1 TRP 69 1HE TRP 69 6.727 -4.339 5.914 534 HE3 TRP 69 3HE TRP 69 2.045 -3.168 3.718 535 HZ2 TRP 69 2HZ TRP 69 6.754 -4.579 3.058 536 HZ3 TRP 69 3HZ TRP 69 2.907 -3.601 1.438 537 HH2 TRP 69 HH TRP 69 5.258 -4.306 1.117 538 H GLY 70 H GLY 70 0.829 -6.131 5.696 539 HA2 GLY 70 2HA GLY 70 -1.813 -4.959 5.182 540 HA3 GLY 70 1HA GLY 70 -0.742 -4.969 3.783 541 H ARG 71 H ARG 71 -2.713 -6.388 3.130 542 HA ARG 71 HA ARG 71 -1.812 -9.157 3.264 543 HB2 ARG 71 2HB ARG 71 -3.595 -8.504 5.197 544 HB3 ARG 71 1HB ARG 71 -4.702 -8.906 3.889 545 HG2 ARG 71 2HG ARG 71 -3.585 -11.077 3.586 546 HG3 ARG 71 1HG ARG 71 -2.477 -10.688 4.901 547 HD2 ARG 71 2HD ARG 71 -4.428 -10.476 6.436 548 HD3 ARG 71 1HD ARG 71 -5.488 -10.968 5.116 549 HE ARG 71 HE ARG 71 -3.326 -12.864 5.624 550 HH11 ARG 71 1HH1 ARG 71 -3.977 -14.876 6.420 551 HH12 ARG 71 2HH1 ARG 71 -5.582 -15.067 7.045 552 HH21 ARG 71 1HH2 ARG 71 -6.493 -11.776 6.447 553 HH22 ARG 71 2HH2 ARG 71 -7.006 -13.313 7.060 554 H ILE 72 H ILE 72 -3.685 -10.441 1.930 555 HA ILE 72 HA ILE 72 -4.542 -8.724 -0.327 556 HB ILE 72 HB ILE 72 -2.943 -11.277 -0.479 557 HG12 ILE 72 2HG1 ILE 72 -1.744 -9.785 -2.225 558 HG13 ILE 72 1HG1 ILE 72 -2.640 -8.450 -1.502 559 HG21 ILE 72 1HG2 ILE 72 -4.763 -11.644 -1.997 560 HG22 ILE 72 2HG2 ILE 72 -3.376 -11.143 -2.963 561 HG23 ILE 72 3HG2 ILE 72 -4.661 -9.990 -2.605 562 HD11 ILE 72 1HD1 ILE 72 -1.539 -9.936 0.645 563 HD12 ILE 72 2HD1 ILE 72 -1.079 -8.329 0.112 564 HD13 ILE 72 3HD1 ILE 72 -0.254 -9.743 -0.540 565 H LEU 73 H LEU 73 -6.256 -9.949 -1.689 566 HA LEU 73 HA LEU 73 -7.870 -11.695 0.126 567 HB2 LEU 73 2HB LEU 73 -8.648 -9.593 -1.878 568 HB3 LEU 73 1HB LEU 73 -9.780 -10.868 -1.436 569 HG LEU 73 HG LEU 73 -8.370 -9.410 0.761 570 HD11 LEU 73 1HD1 LEU 73 -10.850 -8.334 -0.606 571 HD12 LEU 73 2HD1 LEU 73 -9.236 -7.670 -0.849 572 HD13 LEU 73 3HD1 LEU 73 -9.981 -7.610 0.747 573 HD21 LEU 73 1HD2 LEU 73 -11.134 -10.600 0.370 574 HD22 LEU 73 2HD2 LEU 73 -10.596 -9.807 1.849 575 HD23 LEU 73 3HD2 LEU 73 -9.815 -11.293 1.312 576 H GLU 74 H GLU 74 -7.258 -11.014 -3.302 577 HA GLU 74 HA GLU 74 -6.696 -13.715 -4.039 578 HB2 GLU 74 2HB GLU 74 -9.164 -13.938 -3.524 579 HB3 GLU 74 1HB GLU 74 -9.479 -12.774 -4.812 580 HG2 GLU 74 2HG GLU 74 -8.336 -14.282 -6.422 581 HG3 GLU 74 1HG GLU 74 -8.097 -15.457 -5.129 582 H TRP 75 H TRP 75 -6.371 -13.862 -6.409 583 HA TRP 75 HA TRP 75 -5.923 -11.165 -7.581 584 HB2 TRP 75 2HB TRP 75 -4.372 -12.323 -9.113 585 HB3 TRP 75 1HB TRP 75 -3.963 -12.660 -7.428 586 HD1 TRP 75 HD TRP 75 -4.973 -15.038 -6.433 587 HE1 TRP 75 1HE TRP 75 -5.205 -17.312 -7.626 588 HE3 TRP 75 3HE TRP 75 -4.728 -13.509 -11.301 589 HZ2 TRP 75 2HZ TRP 75 -5.278 -18.345 -10.293 590 HZ3 TRP 75 3HZ TRP 75 -4.881 -15.159 -13.144 591 HH2 TRP 75 HH TRP 75 -5.155 -17.572 -12.648 592 H ASP 76 H ASP 76 -7.143 -10.507 -9.320 593 HA ASP 76 HA ASP 76 -9.154 -12.387 -10.357 594 HB2 ASP 76 2HB ASP 76 -9.262 -9.714 -9.809 595 HB3 ASP 76 1HB ASP 76 -8.998 -9.705 -11.551 596 HA PRO 77 HA PRO 77 -6.587 -13.739 -13.744 597 HB2 PRO 77 2HB PRO 77 -8.870 -13.764 -15.552 598 HB3 PRO 77 1HB PRO 77 -7.920 -15.109 -14.917 599 HG2 PRO 77 2HG PRO 77 -10.502 -14.248 -14.097 600 HG3 PRO 77 1HG PRO 77 -9.545 -15.599 -13.485 601 HD2 PRO 77 2HD PRO 77 -10.176 -13.220 -12.108 602 HD3 PRO 77 1HD PRO 77 -9.010 -14.457 -11.592 603 HA PRO 78 HA PRO 78 -7.670 -10.201 -16.902 604 HB2 PRO 78 2HB PRO 78 -9.086 -8.316 -15.077 605 HB3 PRO 78 1HB PRO 78 -9.432 -8.713 -16.771 606 HG2 PRO 78 2HG PRO 78 -10.985 -9.581 -14.788 607 HG3 PRO 78 1HG PRO 78 -10.663 -10.571 -16.223 608 HD2 PRO 78 2HD PRO 78 -9.513 -10.815 -13.469 609 HD3 PRO 78 1HD PRO 78 -9.958 -12.091 -14.616 610 H HIS 79 H HIS 79 -7.629 -7.392 -15.410 611 HA HIS 79 HA HIS 79 -4.905 -7.752 -14.265 612 HB2 HIS 79 2HB HIS 79 -4.902 -5.178 -15.017 613 HB3 HIS 79 1HB HIS 79 -4.453 -6.464 -16.130 614 HD1 HIS 79 1HD HIS 79 -7.901 -5.278 -14.981 615 HD2 HIS 79 2HD HIS 79 -5.772 -5.954 -18.502 616 HE1 HIS 79 1HE HIS 79 -9.519 -4.867 -16.882 617 HE2 HIS 79 2HE HIS 79 -8.234 -5.275 -19.034 618 H ARG 80 H ARG 80 -6.959 -8.258 -12.644 619 HA ARG 80 HA ARG 80 -7.176 -5.742 -11.043 620 HB2 ARG 80 2HB ARG 80 -9.311 -5.797 -12.021 621 HB3 ARG 80 1HB ARG 80 -9.419 -7.551 -11.922 622 HG2 ARG 80 2HG ARG 80 -9.656 -7.462 -9.505 623 HG3 ARG 80 1HG ARG 80 -9.350 -5.728 -9.500 624 HD2 ARG 80 2HD ARG 80 -11.389 -5.436 -10.933 625 HD3 ARG 80 1HD ARG 80 -11.702 -7.155 -10.728 626 HE ARG 80 HE ARG 80 -11.480 -6.285 -8.135 627 HH11 ARG 80 1HH1 ARG 80 -13.204 -5.449 -6.936 628 HH12 ARG 80 2HH1 ARG 80 -14.537 -4.711 -7.758 629 HH21 ARG 80 1HH2 ARG 80 -13.218 -5.234 -10.921 630 HH22 ARG 80 2HH2 ARG 80 -14.545 -4.589 -10.015 631 H LEU 81 H LEU 81 -7.060 -6.009 -8.871 632 HA LEU 81 HA LEU 81 -7.004 -8.767 -7.779 633 HB2 LEU 81 2HB LEU 81 -4.830 -6.700 -7.381 634 HB3 LEU 81 1HB LEU 81 -4.926 -8.235 -6.527 635 HG LEU 81 HG LEU 81 -5.126 -9.085 -9.100 636 HD11 LEU 81 1HD1 LEU 81 -3.303 -6.671 -9.078 637 HD12 LEU 81 2HD1 LEU 81 -4.796 -6.834 -9.999 638 HD13 LEU 81 3HD1 LEU 81 -3.405 -7.846 -10.387 639 HD21 LEU 81 1HD2 LEU 81 -2.635 -9.538 -8.884 640 HD22 LEU 81 2HD2 LEU 81 -3.609 -10.066 -7.511 641 HD23 LEU 81 3HD2 LEU 81 -2.669 -8.577 -7.405 642 H ALA 82 H ALA 82 -7.985 -8.860 -5.805 643 HA ALA 82 HA ALA 82 -8.712 -6.263 -4.509 644 HB1 ALA 82 1HB ALA 82 -10.497 -7.490 -3.394 645 HB2 ALA 82 2HB ALA 82 -9.878 -9.026 -4.002 646 HB3 ALA 82 3HB ALA 82 -10.586 -7.857 -5.117 647 H MET 83 H MET 83 -8.056 -6.010 -2.259 648 HA MET 83 HA MET 83 -6.515 -8.285 -1.176 649 HB2 MET 83 2HB MET 83 -4.756 -6.395 -0.542 650 HB3 MET 83 1HB MET 83 -4.673 -7.262 -2.075 651 HG2 MET 83 2HG MET 83 -5.937 -5.468 -3.181 652 HG3 MET 83 1HG MET 83 -6.084 -4.610 -1.648 653 HE1 MET 83 1HE MET 83 -2.449 -6.293 -3.245 654 HE2 MET 83 2HE MET 83 -2.790 -5.165 -4.555 655 HE3 MET 83 3HE MET 83 -4.020 -6.322 -4.055 656 H THR 84 H THR 84 -6.212 -8.348 1.051 657 HA THR 84 HA THR 84 -7.898 -6.392 2.567 658 HB THR 84 HB THR 84 -6.877 -9.166 3.268 659 HG1 THR 84 1HG THR 84 -9.386 -9.055 3.656 660 HG21 THR 84 1HG2 THR 84 -6.715 -8.001 5.312 661 HG22 THR 84 2HG2 THR 84 -8.319 -8.730 5.371 662 HG23 THR 84 3HG2 THR 84 -8.141 -7.022 4.968 663 H TRP 85 H TRP 85 -6.882 -5.270 4.347 664 HA TRP 85 HA TRP 85 -3.902 -5.283 4.152 665 HB2 TRP 85 2HB TRP 85 -5.392 -3.184 3.735 666 HB3 TRP 85 1HB TRP 85 -5.533 -3.139 5.493 667 HD1 TRP 85 HD TRP 85 -3.678 -1.912 6.720 668 HE1 TRP 85 1HE TRP 85 -1.298 -1.110 6.135 669 HE3 TRP 85 3HE TRP 85 -3.180 -3.946 2.061 670 HZ2 TRP 85 2HZ TRP 85 0.570 -1.307 3.978 671 HZ3 TRP 85 3HZ TRP 85 -1.092 -3.622 0.766 672 HH2 TRP 85 HH TRP 85 0.781 -2.308 1.718 673 H ARG 86 H ARG 86 -2.813 -6.240 5.831 674 HA ARG 86 HA ARG 86 -4.191 -6.309 8.496 675 HB2 ARG 86 2HB ARG 86 -3.773 -8.544 7.465 676 HB3 ARG 86 1HB ARG 86 -2.047 -8.181 7.448 677 HG2 ARG 86 2HG ARG 86 -2.012 -7.993 9.872 678 HG3 ARG 86 1HG ARG 86 -3.762 -8.188 9.946 679 HD2 ARG 86 2HD ARG 86 -2.821 -10.333 10.463 680 HD3 ARG 86 1HD ARG 86 -3.450 -10.443 8.821 681 HE ARG 86 HE ARG 86 -1.212 -10.563 8.004 682 HH11 ARG 86 1HH1 ARG 86 0.980 -10.964 8.379 683 HH12 ARG 86 2HH1 ARG 86 1.620 -10.778 9.977 684 HH21 ARG 86 1HH2 ARG 86 -1.410 -9.840 11.374 685 HH22 ARG 86 2HH2 ARG 86 0.269 -10.143 11.670 686 H ILE 87 H ILE 87 -3.353 -4.555 9.574 687 HA ILE 87 HA ILE 87 -0.387 -4.461 9.857 688 HB ILE 87 HB ILE 87 -1.219 -2.722 8.216 689 HG12 ILE 87 2HG1 ILE 87 -0.181 -1.374 10.703 690 HG13 ILE 87 1HG1 ILE 87 0.825 -2.538 9.840 691 HG21 ILE 87 1HG2 ILE 87 -2.536 -0.884 9.019 692 HG22 ILE 87 2HG2 ILE 87 -2.422 -1.450 10.685 693 HG23 ILE 87 3HG2 ILE 87 -3.374 -2.356 9.508 694 HD11 ILE 87 1HD1 ILE 87 -0.528 -0.247 8.414 695 HD12 ILE 87 2HD1 ILE 87 0.816 -1.239 7.855 696 HD13 ILE 87 3HD1 ILE 87 1.065 -0.073 9.152 697 H ASP 88 H ASP 88 0.320 -3.680 11.914 698 HA ASP 88 HA ASP 88 -1.712 -3.939 14.032 699 HB2 ASP 88 2HB ASP 88 1.262 -3.452 14.228 700 HB3 ASP 88 1HB ASP 88 0.194 -3.827 15.576 701 H GLY 89 H GLY 89 -1.869 -2.282 15.735 702 HA2 GLY 89 2HA GLY 89 -2.254 0.346 14.663 703 HA3 GLY 89 1HA GLY 89 -2.296 -0.063 16.378 704 H HIS 90 H HIS 90 0.310 -1.005 16.740 705 HA HIS 90 HA HIS 90 1.890 1.490 16.269 706 HB2 HIS 90 2HB HIS 90 1.419 -0.140 18.613 707 HB3 HIS 90 1HB HIS 90 3.144 -0.078 18.262 708 HD1 HIS 90 1HD HIS 90 0.712 1.740 20.091 709 HD2 HIS 90 2HD HIS 90 3.850 2.860 17.584 710 HE1 HIS 90 1HE HIS 90 1.238 4.159 20.639 711 HE2 HIS 90 2HE HIS 90 3.147 4.851 19.118 712 H TRP 91 H TRP 91 1.664 -0.713 14.345 713 HA TRP 91 HA TRP 91 3.061 -2.040 13.009 714 HB2 TRP 91 2HB TRP 91 5.201 -0.344 14.343 715 HB3 TRP 91 1HB TRP 91 5.465 -1.390 12.954 716 HD1 TRP 91 HD TRP 91 3.856 -0.793 10.749 717 HE1 TRP 91 1HE TRP 91 3.248 1.538 9.829 718 HE3 TRP 91 3HE TRP 91 4.770 2.064 14.869 719 HZ2 TRP 91 2HZ TRP 91 3.172 4.258 10.733 720 HZ3 TRP 91 3HZ TRP 91 4.432 4.510 14.822 721 HH2 TRP 91 HH TRP 91 3.630 5.614 12.755 722 H GLN 92 H GLN 92 2.382 -2.804 15.831 723 HA GLN 92 HA GLN 92 3.705 -5.267 16.009 724 HB2 GLN 92 2HB GLN 92 5.085 -4.652 18.164 725 HB3 GLN 92 1HB GLN 92 5.799 -4.438 16.566 726 HG2 GLN 92 2HG GLN 92 5.566 -2.140 16.618 727 HG3 GLN 92 1HG GLN 92 4.232 -2.186 17.775 728 HE21 GLN 92 1HE2 GLN 92 6.345 -0.454 18.343 729 HE22 GLN 92 2HE2 GLN 92 7.276 -1.065 19.623 730 H SER 93 H SER 93 1.349 -3.301 16.781 731 HA SER 93 HA SER 93 0.821 -3.587 19.546 732 HB2 SER 93 2HB SER 93 -0.434 -2.188 17.799 733 HB3 SER 93 1HB SER 93 -1.316 -3.665 17.414 734 HG SER 93 HG SER 93 -2.247 -3.631 19.351 735 H VAL 94 H VAL 94 -0.492 -5.627 16.887 736 HA VAL 94 HA VAL 94 -0.368 -7.942 18.731 737 HB VAL 94 HB VAL 94 -2.759 -8.531 18.053 738 HG11 VAL 94 1HG1 VAL 94 -1.998 -7.497 20.270 739 HG12 VAL 94 2HG1 VAL 94 -3.695 -7.270 19.849 740 HG13 VAL 94 3HG1 VAL 94 -2.546 -5.953 19.618 741 HG21 VAL 94 1HG2 VAL 94 -3.080 -5.592 17.509 742 HG22 VAL 94 2HG2 VAL 94 -4.128 -6.931 17.038 743 HG23 VAL 94 3HG2 VAL 94 -2.599 -6.670 16.198 744 HA PRO 95 HA PRO 95 0.834 -10.023 15.010 745 HB2 PRO 95 2HB PRO 95 -0.149 -12.556 15.517 746 HB3 PRO 95 1HB PRO 95 1.357 -11.912 16.195 747 HG2 PRO 95 2HG PRO 95 -1.325 -12.164 17.443 748 HG3 PRO 95 1HG PRO 95 0.281 -12.372 18.159 749 HD2 PRO 95 2HD PRO 95 -1.218 -10.126 18.544 750 HD3 PRO 95 1HD PRO 95 0.558 -10.104 18.534 751 H ASP 96 H ASP 96 -2.519 -10.555 16.066 752 HA ASP 96 HA ASP 96 -3.311 -10.843 13.198 753 HB2 ASP 96 2HB ASP 96 -4.728 -11.672 15.737 754 HB3 ASP 96 1HB ASP 96 -5.429 -11.805 14.124 755 H ASP 97 H ASP 97 -4.987 -9.495 12.393 756 HA ASP 97 HA ASP 97 -5.515 -7.094 14.072 757 HB2 ASP 97 2HB ASP 97 -5.633 -7.533 11.081 758 HB3 ASP 97 1HB ASP 97 -6.103 -6.037 11.886 759 H ASP 98 H ASP 98 -7.485 -7.043 15.000 760 HA ASP 98 HA ASP 98 -9.691 -8.650 13.884 761 HB2 ASP 98 2HB ASP 98 -9.422 -6.982 16.391 762 HB3 ASP 98 1HB ASP 98 -10.880 -7.868 15.952 763 H ARG 99 H ARG 99 -8.416 -5.570 13.599 764 HA ARG 99 HA ARG 99 -11.034 -4.396 12.805 765 HB2 ARG 99 2HB ARG 99 -9.652 -2.209 13.046 766 HB3 ARG 99 1HB ARG 99 -10.171 -3.028 14.521 767 HG2 ARG 99 2HG ARG 99 -7.979 -4.143 14.682 768 HG3 ARG 99 1HG ARG 99 -7.459 -3.345 13.196 769 HD2 ARG 99 2HD ARG 99 -7.823 -1.140 14.294 770 HD3 ARG 99 1HD ARG 99 -8.229 -1.980 15.791 771 HE ARG 99 HE ARG 99 -5.926 -2.400 16.111 772 HH11 ARG 99 1HH1 ARG 99 -3.753 -2.247 15.507 773 HH12 ARG 99 2HH1 ARG 99 -3.350 -1.783 13.887 774 HH21 ARG 99 1HH2 ARG 99 -6.650 -1.458 12.875 775 HH22 ARG 99 2HH2 ARG 99 -4.989 -1.335 12.398 776 H ALA 100 H ALA 100 -9.455 -6.117 11.068 777 HA ALA 100 HA ALA 100 -8.048 -4.308 9.228 778 HB1 ALA 100 1HB ALA 100 -7.525 -6.831 9.799 779 HB2 ALA 100 2HB ALA 100 -7.272 -6.223 8.162 780 HB3 ALA 100 3HB ALA 100 -8.724 -7.148 8.545 781 H SER 101 H SER 101 -8.796 -3.657 7.232 782 HA SER 101 HA SER 101 -11.675 -4.219 6.654 783 HB2 SER 101 2HB SER 101 -9.949 -1.849 5.880 784 HB3 SER 101 1HB SER 101 -11.628 -2.072 5.400 785 HG SER 101 HG SER 101 -11.951 -1.036 7.220 786 H GLU 102 H GLU 102 -12.145 -4.027 4.192 787 HA GLU 102 HA GLU 102 -10.022 -5.563 2.758 788 HB2 GLU 102 2HB GLU 102 -12.996 -5.368 2.202 789 HB3 GLU 102 1HB GLU 102 -11.848 -6.361 1.303 790 HG2 GLU 102 2HG GLU 102 -11.298 -7.580 3.399 791 HG3 GLU 102 1HG GLU 102 -12.517 -6.630 4.248 792 H ILE 103 H ILE 103 -9.247 -4.818 0.807 793 HA ILE 103 HA ILE 103 -10.289 -2.169 -0.123 794 HB ILE 103 HB ILE 103 -7.461 -3.239 -0.349 795 HG12 ILE 103 2HG1 ILE 103 -8.534 -1.070 1.479 796 HG13 ILE 103 1HG1 ILE 103 -8.214 -2.725 2.002 797 HG21 ILE 103 1HG2 ILE 103 -8.845 -1.159 -1.701 798 HG22 ILE 103 2HG2 ILE 103 -7.117 -1.514 -1.751 799 HG23 ILE 103 3HG2 ILE 103 -7.752 -0.385 -0.554 800 HD11 ILE 103 1HD1 ILE 103 -5.851 -2.467 1.234 801 HD12 ILE 103 2HD1 ILE 103 -6.276 -1.338 2.521 802 HD13 ILE 103 3HD1 ILE 103 -6.193 -0.780 0.851 803 H GLU 104 H GLU 104 -10.717 -1.974 -2.312 804 HA GLU 104 HA GLU 104 -10.260 -4.428 -3.970 805 HB2 GLU 104 2HB GLU 104 -12.385 -2.279 -4.257 806 HB3 GLU 104 1HB GLU 104 -12.206 -3.689 -5.301 807 HG2 GLU 104 2HG GLU 104 -12.532 -5.164 -3.325 808 HG3 GLU 104 1HG GLU 104 -12.795 -3.733 -2.327 809 H VAL 105 H VAL 105 -8.855 -4.163 -5.650 810 HA VAL 105 HA VAL 105 -8.454 -1.410 -6.714 811 HB VAL 105 HB VAL 105 -6.251 -3.434 -6.245 812 HG11 VAL 105 1HG1 VAL 105 -4.796 -1.477 -6.743 813 HG12 VAL 105 2HG1 VAL 105 -6.235 -0.522 -7.099 814 HG13 VAL 105 3HG1 VAL 105 -5.823 -1.905 -8.111 815 HG21 VAL 105 1HG2 VAL 105 -6.625 -2.750 -4.075 816 HG22 VAL 105 2HG2 VAL 105 -7.391 -1.241 -4.571 817 HG23 VAL 105 3HG2 VAL 105 -5.634 -1.393 -4.609 818 H ASP 106 H ASP 106 -8.499 -1.305 -8.925 819 HA ASP 106 HA ASP 106 -8.403 -3.902 -10.418 820 HB2 ASP 106 2HB ASP 106 -9.939 -1.374 -11.099 821 HB3 ASP 106 1HB ASP 106 -9.910 -2.850 -12.070 822 H PHE 107 H PHE 107 -6.855 -4.033 -12.005 823 HA PHE 107 HA PHE 107 -5.442 -1.506 -12.710 824 HB2 PHE 107 2HB PHE 107 -4.373 -4.347 -12.732 825 HB3 PHE 107 1HB PHE 107 -3.488 -2.910 -13.195 826 HD1 PHE 107 1HD PHE 107 -2.530 -1.450 -11.576 827 HD2 PHE 107 2HD PHE 107 -5.160 -4.610 -10.356 828 HE1 PHE 107 1HE PHE 107 -1.873 -1.079 -9.213 829 HE2 PHE 107 2HE PHE 107 -4.506 -4.246 -7.992 830 HZ PHE 107 HZ PHE 107 -2.856 -2.482 -7.418 831 H VAL 108 H VAL 108 -5.187 -1.010 -14.837 832 HA VAL 108 HA VAL 108 -6.193 -2.924 -16.885 833 HB VAL 108 HB VAL 108 -6.730 -0.012 -17.217 834 HG11 VAL 108 1HG1 VAL 108 -7.226 -1.606 -19.017 835 HG12 VAL 108 2HG1 VAL 108 -8.719 -0.914 -18.380 836 HG13 VAL 108 3HG1 VAL 108 -8.236 -2.547 -17.918 837 HG21 VAL 108 1HG2 VAL 108 -8.927 -0.352 -16.024 838 HG22 VAL 108 2HG2 VAL 108 -7.524 -0.366 -14.955 839 HG23 VAL 108 3HG2 VAL 108 -8.296 -1.883 -15.417 840 HA PRO 109 HA PRO 109 -2.205 -1.389 -18.405 841 HB2 PRO 109 2HB PRO 109 -1.800 -3.215 -20.353 842 HB3 PRO 109 1HB PRO 109 -1.597 -3.608 -18.634 843 HG2 PRO 109 2HG PRO 109 -3.843 -4.243 -20.465 844 HG3 PRO 109 1HG PRO 109 -3.137 -5.212 -19.164 845 HD2 PRO 109 2HD PRO 109 -5.485 -3.735 -18.935 846 HD3 PRO 109 1HD PRO 109 -4.484 -4.267 -17.563 847 H ASN 110 H ASN 110 -1.886 0.216 -19.837 848 HA ASN 110 HA ASN 110 -3.625 0.341 -22.252 849 HB2 ASN 110 2HB ASN 110 -4.051 2.125 -20.555 850 HB3 ASN 110 1HB ASN 110 -2.378 2.641 -20.748 851 HD21 ASN 110 1HD2 ASN 110 -3.845 4.688 -21.428 852 HD22 ASN 110 2HD2 ASN 110 -4.146 4.816 -23.093 853 H GLY 111 H GLY 111 -2.579 0.808 -24.224 854 HA2 GLY 111 2HA GLY 111 0.223 0.114 -24.361 855 HA3 GLY 111 1HA GLY 111 -0.758 0.686 -25.711 856 H SER 112 H SER 112 1.541 1.781 -25.956 857 HA SER 112 HA SER 112 2.727 3.804 -25.993 858 HB2 SER 112 2HB SER 112 1.224 5.378 -26.576 859 HB3 SER 112 1HB SER 112 -0.071 4.477 -25.792 860 HG SER 112 HG SER 112 0.135 5.685 -24.057 861 H GLY 113 H GLY 113 2.162 2.136 -23.366 862 HA2 GLY 113 2HA GLY 113 3.192 2.219 -21.242 863 HA3 GLY 113 1HA GLY 113 3.890 3.779 -21.696 864 H GLY 114 H GLY 114 0.739 2.326 -20.815 865 HA2 GLY 114 2HA GLY 114 0.247 4.687 -19.096 866 HA3 GLY 114 1HA GLY 114 -0.958 4.312 -20.323 867 H THR 115 H THR 115 -0.906 4.157 -17.255 868 HA THR 115 HA THR 115 -2.080 1.425 -17.082 869 HB THR 115 HB THR 115 -0.936 2.312 -14.561 870 HG1 THR 115 1HG THR 115 0.486 3.189 -16.357 871 HG21 THR 115 1HG2 THR 115 0.250 0.062 -14.833 872 HG22 THR 115 2HG2 THR 115 -0.639 -0.112 -16.343 873 HG23 THR 115 3HG2 THR 115 -1.512 0.027 -14.817 874 H ARG 116 H ARG 116 -4.177 1.628 -16.465 875 HA ARG 116 HA ARG 116 -4.943 4.055 -14.899 876 HB2 ARG 116 2HB ARG 116 -6.164 3.639 -17.038 877 HB3 ARG 116 1HB ARG 116 -6.738 2.108 -16.371 878 HG2 ARG 116 2HG ARG 116 -8.015 3.168 -14.700 879 HG3 ARG 116 1HG ARG 116 -7.138 4.690 -14.871 880 HD2 ARG 116 2HD ARG 116 -9.279 4.976 -15.924 881 HD3 ARG 116 1HD ARG 116 -8.068 4.864 -17.200 882 HE ARG 116 HE ARG 116 -9.328 2.308 -16.501 883 HH11 ARG 116 1HH1 ARG 116 -10.541 1.370 -18.162 884 HH12 ARG 116 2HH1 ARG 116 -10.951 2.312 -19.556 885 HH21 ARG 116 1HH2 ARG 116 -9.344 5.169 -18.425 886 HH22 ARG 116 2HH2 ARG 116 -10.273 4.463 -19.705 887 H VAL 117 H VAL 117 -5.104 3.670 -12.744 888 HA VAL 117 HA VAL 117 -5.994 0.948 -11.877 889 HB VAL 117 HB VAL 117 -4.010 2.752 -10.477 890 HG11 VAL 117 1HG1 VAL 117 -4.878 -0.107 -9.940 891 HG12 VAL 117 2HG1 VAL 117 -5.359 1.297 -8.985 892 HG13 VAL 117 3HG1 VAL 117 -3.669 0.795 -9.026 893 HG21 VAL 117 1HG2 VAL 117 -2.893 1.919 -12.392 894 HG22 VAL 117 2HG2 VAL 117 -3.717 0.364 -12.301 895 HG23 VAL 117 3HG2 VAL 117 -2.470 0.769 -11.123 896 H GLU 118 H GLU 118 -7.527 0.852 -10.307 897 HA GLU 118 HA GLU 118 -8.489 3.460 -9.193 898 HB2 GLU 118 2HB GLU 118 -10.102 0.971 -9.842 899 HB3 GLU 118 1HB GLU 118 -10.747 2.449 -9.130 900 HG2 GLU 118 2HG GLU 118 -10.008 3.712 -11.140 901 HG3 GLU 118 1HG GLU 118 -9.449 2.202 -11.860 902 H LEU 119 H LEU 119 -7.587 3.431 -7.152 903 HA LEU 119 HA LEU 119 -7.759 0.904 -5.593 904 HB2 LEU 119 2HB LEU 119 -5.545 2.124 -5.859 905 HB3 LEU 119 1HB LEU 119 -6.237 3.425 -4.893 906 HG LEU 119 HG LEU 119 -6.502 0.700 -3.742 907 HD11 LEU 119 1HD1 LEU 119 -3.834 2.139 -3.836 908 HD12 LEU 119 2HD1 LEU 119 -4.212 0.660 -4.717 909 HD13 LEU 119 3HD1 LEU 119 -4.185 0.653 -2.953 910 HD21 LEU 119 1HD2 LEU 119 -6.386 1.866 -1.728 911 HD22 LEU 119 2HD2 LEU 119 -7.052 3.111 -2.783 912 HD23 LEU 119 3HD2 LEU 119 -5.333 3.113 -2.393 913 H ALA 120 H ALA 120 -9.279 0.762 -3.998 914 HA ALA 120 HA ALA 120 -10.333 3.312 -2.852 915 HB1 ALA 120 1HB ALA 120 -12.498 2.801 -3.342 916 HB2 ALA 120 2HB ALA 120 -12.251 1.074 -3.085 917 HB3 ALA 120 3HB ALA 120 -11.774 1.816 -4.612 918 H HIS 121 H HIS 121 -9.824 3.270 -0.722 919 HA HIS 121 HA HIS 121 -9.812 0.640 0.690 920 HB2 HIS 121 2HB HIS 121 -8.207 1.485 2.109 921 HB3 HIS 121 1HB HIS 121 -7.888 2.544 0.737 922 HD1 HIS 121 1HD HIS 121 -8.451 2.741 4.241 923 HD2 HIS 121 2HD HIS 121 -9.759 4.997 0.988 924 HE1 HIS 121 1HE HIS 121 -9.187 4.983 5.174 925 HE2 HIS 121 2HE HIS 121 -9.987 6.362 3.201 926 H VAL 122 H VAL 122 -11.439 0.247 2.193 927 HA VAL 122 HA VAL 122 -13.108 2.593 2.980 928 HB VAL 122 HB VAL 122 -15.117 1.127 2.722 929 HG11 VAL 122 1HG1 VAL 122 -15.264 2.229 0.771 930 HG12 VAL 122 2HG1 VAL 122 -14.295 0.967 0.007 931 HG13 VAL 122 3HG1 VAL 122 -13.509 2.385 0.702 932 HG21 VAL 122 1HG2 VAL 122 -13.020 -0.819 2.240 933 HG22 VAL 122 2HG2 VAL 122 -14.119 -0.748 0.862 934 HG23 VAL 122 3HG2 VAL 122 -14.747 -1.087 2.475 935 H LYS 123 H LYS 123 -14.253 2.421 4.902 936 HA LYS 123 HA LYS 123 -14.530 1.891 7.153 937 HB2 LYS 123 2HB LYS 123 -13.949 -0.966 6.408 938 HB3 LYS 123 1HB LYS 123 -15.098 -0.344 7.594 939 HG2 LYS 123 2HG LYS 123 -15.309 -0.180 4.576 940 HG3 LYS 123 1HG LYS 123 -16.375 -1.051 5.675 941 HD2 LYS 123 2HD LYS 123 -17.028 1.132 6.707 942 HD3 LYS 123 1HD LYS 123 -16.049 1.964 5.498 943 HE2 LYS 123 2HE LYS 123 -18.481 1.818 4.895 944 HE3 LYS 123 1HE LYS 123 -17.399 1.103 3.699 945 HZ1 LYS 123 1HZ LYS 123 -18.061 -0.994 4.213 946 HZ2 LYS 123 2HZ LYS 123 -19.498 -0.175 4.599 947 HZ3 LYS 123 3HZ LYS 123 -18.417 -0.625 5.829 948 H LEU 124 H LEU 124 -11.805 2.504 6.206 949 HA LEU 124 HA LEU 124 -9.977 0.771 7.659 950 HB2 LEU 124 2HB LEU 124 -9.592 2.582 5.714 951 HB3 LEU 124 1HB LEU 124 -9.279 3.609 7.112 952 HG LEU 124 HG LEU 124 -7.683 1.868 7.960 953 HD11 LEU 124 1HD1 LEU 124 -7.831 -0.169 6.993 954 HD12 LEU 124 2HD1 LEU 124 -7.012 0.534 5.599 955 HD13 LEU 124 3HD1 LEU 124 -8.774 0.466 5.644 956 HD21 LEU 124 1HD2 LEU 124 -6.308 3.386 7.007 957 HD22 LEU 124 2HD2 LEU 124 -7.405 3.622 5.646 958 HD23 LEU 124 3HD2 LEU 124 -6.239 2.300 5.620 959 H HIS 125 H HIS 125 -11.770 3.723 8.264 960 HA HIS 125 HA HIS 125 -10.655 4.761 10.561 961 HB2 HIS 125 2HB HIS 125 -12.577 5.817 9.590 962 HB3 HIS 125 1HB HIS 125 -13.576 4.403 9.914 963 HD1 HIS 125 1HD HIS 125 -11.182 6.314 12.190 964 HD2 HIS 125 2HD HIS 125 -15.182 5.139 12.047 965 HE1 HIS 125 1HE HIS 125 -12.213 7.008 14.398 966 HE2 HIS 125 2HE HIS 125 -14.650 6.308 14.318 967 H ARG 126 H ARG 126 -11.884 1.584 10.290 968 HA ARG 126 HA ARG 126 -12.917 1.093 12.860 969 HB2 ARG 126 2HB ARG 126 -11.109 -0.629 11.157 970 HB3 ARG 126 1HB ARG 126 -11.894 -1.205 12.625 971 HG2 ARG 126 2HG ARG 126 -14.092 -0.697 11.674 972 HG3 ARG 126 1HG ARG 126 -13.334 -0.067 10.215 973 HD2 ARG 126 2HD ARG 126 -12.239 -2.331 9.927 974 HD3 ARG 126 1HD ARG 126 -13.266 -2.915 11.236 975 HE ARG 126 HE ARG 126 -14.974 -1.684 9.356 976 HH11 ARG 126 1HH1 ARG 126 -16.056 -2.945 7.823 977 HH12 ARG 126 2HH1 ARG 126 -15.436 -4.511 7.417 978 HH21 ARG 126 1HH2 ARG 126 -12.742 -4.300 9.590 979 HH22 ARG 126 2HH2 ARG 126 -13.560 -5.278 8.417 980 H HIS 127 H HIS 127 -9.600 1.591 11.800 981 HA HIS 127 HA HIS 127 -8.529 1.008 14.466 982 HB2 HIS 127 2HB HIS 127 -6.370 1.808 13.450 983 HB3 HIS 127 1HB HIS 127 -7.109 0.459 12.593 984 HD1 HIS 127 1HD HIS 127 -9.086 3.331 11.808 985 HD2 HIS 127 2HD HIS 127 -5.419 1.884 10.458 986 HE1 HIS 127 1HE HIS 127 -8.650 4.437 9.572 987 HE2 HIS 127 2HE HIS 127 -6.412 3.584 8.756 988 H GLY 128 H GLY 128 -9.689 3.750 12.697 989 HA2 GLY 128 2HA GLY 128 -9.496 6.086 13.155 990 HA3 GLY 128 1HA GLY 128 -10.256 5.511 14.638 991 H ASP 129 H ASP 129 -9.257 6.913 16.071 992 HA ASP 129 HA ASP 129 -7.504 7.937 17.271 993 HB2 ASP 129 2HB ASP 129 -6.503 5.084 17.004 994 HB3 ASP 129 1HB ASP 129 -5.903 6.260 18.174 995 H GLY 130 H GLY 130 -4.678 6.856 17.062 996 HA2 GLY 130 2HA GLY 130 -3.777 8.669 14.992 997 HA3 GLY 130 1HA GLY 130 -2.750 7.580 15.930 998 H ALA 131 H ALA 131 -5.491 6.891 13.764 999 HA ALA 131 HA ALA 131 -4.317 4.565 12.641 1000 HB1 ALA 131 1HB ALA 131 -6.607 4.716 12.240 1001 HB2 ALA 131 2HB ALA 131 -5.954 5.196 10.675 1002 HB3 ALA 131 3HB ALA 131 -6.521 6.423 11.806 1003 H TRP 132 H TRP 132 -4.366 7.933 11.394 1004 HA TRP 132 HA TRP 132 -2.879 7.341 9.035 1005 HB2 TRP 132 2HB TRP 132 -4.064 9.532 9.532 1006 HB3 TRP 132 1HB TRP 132 -2.694 9.947 10.566 1007 HD1 TRP 132 HD TRP 132 -0.306 10.229 9.382 1008 HE1 TRP 132 1HE TRP 132 0.327 10.806 6.951 1009 HE3 TRP 132 3HE TRP 132 -4.771 9.303 7.047 1010 HZ2 TRP 132 2HZ TRP 132 -0.889 10.866 4.371 1011 HZ3 TRP 132 3HZ TRP 132 -4.993 9.632 4.604 1012 HH2 TRP 132 HH TRP 132 -3.061 10.413 3.264 1013 H ASN 133 H ASN 133 -1.903 7.768 12.384 1014 HA ASN 133 HA ASN 133 0.874 8.237 12.020 1015 HB2 ASN 133 2HB ASN 133 -0.443 8.055 14.235 1016 HB3 ASN 133 1HB ASN 133 -0.238 6.312 14.076 1017 HD21 ASN 133 1HD2 ASN 133 1.710 9.345 14.113 1018 HD22 ASN 133 2HD2 ASN 133 3.084 8.626 14.802 1019 H ILE 134 H ILE 134 -1.028 5.256 11.978 1020 HA ILE 134 HA ILE 134 1.097 3.417 11.530 1021 HB ILE 134 HB ILE 134 -1.748 3.359 10.493 1022 HG12 ILE 134 2HG1 ILE 134 -0.567 2.103 12.986 1023 HG13 ILE 134 1HG1 ILE 134 -1.511 3.596 12.981 1024 HG21 ILE 134 1HG2 ILE 134 0.258 1.139 10.919 1025 HG22 ILE 134 2HG2 ILE 134 -0.226 1.793 9.355 1026 HG23 ILE 134 3HG2 ILE 134 -1.400 0.938 10.354 1027 HD11 ILE 134 1HD1 ILE 134 -3.264 2.126 11.663 1028 HD12 ILE 134 2HD1 ILE 134 -3.173 2.026 13.421 1029 HD13 ILE 134 3HD1 ILE 134 -2.409 0.787 12.426 1030 H HIS 135 H HIS 135 -0.942 5.350 9.389 1031 HA HIS 135 HA HIS 135 0.196 4.520 6.897 1032 HB2 HIS 135 2HB HIS 135 -1.958 5.740 7.067 1033 HB3 HIS 135 1HB HIS 135 -1.094 7.170 7.628 1034 HD1 HIS 135 1HD HIS 135 1.163 5.862 5.320 1035 HD2 HIS 135 2HD HIS 135 -2.486 7.829 4.907 1036 HE1 HIS 135 1HE HIS 135 1.123 6.766 2.958 1037 HE2 HIS 135 2HE HIS 135 -1.112 7.956 2.682 1038 H LYS 136 H LYS 136 1.126 6.906 9.313 1039 HA LYS 136 HA LYS 136 2.941 8.451 7.824 1040 HB2 LYS 136 2HB LYS 136 2.325 8.772 10.269 1041 HB3 LYS 136 1HB LYS 136 3.464 7.485 10.635 1042 HG2 LYS 136 2HG LYS 136 5.256 8.757 9.539 1043 HG3 LYS 136 1HG LYS 136 4.123 10.061 9.214 1044 HD2 LYS 136 2HD LYS 136 3.700 10.220 11.687 1045 HD3 LYS 136 1HD LYS 136 4.999 9.050 11.930 1046 HE2 LYS 136 2HE LYS 136 6.043 11.169 12.184 1047 HE3 LYS 136 1HE LYS 136 6.469 10.651 10.554 1048 HZ1 LYS 136 1HZ LYS 136 4.173 12.415 11.204 1049 HZ2 LYS 136 2HZ LYS 136 4.738 12.005 9.654 1050 HZ3 LYS 136 3HZ LYS 136 5.686 12.972 10.680 1051 H ALA 137 H ALA 137 3.312 5.204 9.205 1052 HA ALA 137 HA ALA 137 6.125 4.971 8.549 1053 HB1 ALA 137 1HB ALA 137 3.941 2.966 9.075 1054 HB2 ALA 137 2HB ALA 137 5.398 3.290 10.019 1055 HB3 ALA 137 3HB ALA 137 5.514 2.437 8.484 1056 H LEU 138 H LEU 138 3.107 4.114 6.881 1057 HA LEU 138 HA LEU 138 4.397 3.112 4.506 1058 HB2 LEU 138 2HB LEU 138 1.629 4.318 4.827 1059 HB3 LEU 138 1HB LEU 138 2.181 3.353 3.463 1060 HG LEU 138 HG LEU 138 1.972 2.417 6.338 1061 HD11 LEU 138 1HD1 LEU 138 -0.027 2.669 4.459 1062 HD12 LEU 138 2HD1 LEU 138 -0.042 1.519 5.796 1063 HD13 LEU 138 3HD1 LEU 138 0.516 1.012 4.201 1064 HD21 LEU 138 1HD2 LEU 138 2.381 0.164 4.987 1065 HD22 LEU 138 2HD2 LEU 138 3.742 1.146 5.530 1066 HD23 LEU 138 3HD2 LEU 138 3.189 1.251 3.859 1067 H ASP 139 H ASP 139 3.602 6.263 5.745 1068 HA ASP 139 HA ASP 139 4.374 8.362 5.030 1069 HB2 ASP 139 2HB ASP 139 6.155 6.612 3.844 1070 HB3 ASP 139 1HB ASP 139 5.537 7.538 2.480 1071 H GLY 140 H GLY 140 2.555 9.442 4.479 1072 HA2 GLY 140 2HA GLY 140 1.505 9.050 1.707 1073 HA3 GLY 140 1HA GLY 140 0.448 9.397 3.074 1074 HA PRO 141 HA PRO 141 3.328 13.322 2.130 1075 HB2 PRO 141 2HB PRO 141 3.324 12.931 -0.821 1076 HB3 PRO 141 1HB PRO 141 4.611 13.539 0.236 1077 HG2 PRO 141 2HG PRO 141 4.697 11.090 -0.814 1078 HG3 PRO 141 1HG PRO 141 5.323 11.441 0.806 1079 HD2 PRO 141 2HD PRO 141 2.811 10.026 0.026 1080 HD3 PRO 141 1HD PRO 141 3.850 9.786 1.446 1081 H SER 142 H SER 142 2.284 15.285 1.768 1082 HA SER 142 HA SER 142 -0.512 15.118 0.864 1083 HB2 SER 142 2HB SER 142 0.888 16.665 2.743 1084 HB3 SER 142 1HB SER 142 0.427 17.794 1.472 1085 HG SER 142 HG SER 142 -1.092 16.820 3.373 1086 HA PRO 143 HA PRO 143 1.557 18.425 -2.169 1087 HB2 PRO 143 2HB PRO 143 4.202 17.078 -2.402 1088 HB3 PRO 143 1HB PRO 143 3.816 18.811 -2.350 1089 HG2 PRO 143 2HG PRO 143 4.906 17.574 -0.264 1090 HG3 PRO 143 1HG PRO 143 3.692 18.850 -0.054 1091 HD2 PRO 143 2HD PRO 143 3.378 15.885 0.223 1092 HD3 PRO 143 1HD PRO 143 2.610 17.191 1.155 1093 H GLY 144 H GLY 144 2.188 14.959 -2.159 1094 HA2 GLY 144 2HA GLY 144 1.196 14.855 -4.954 1095 HA3 GLY 144 1HA GLY 144 2.706 14.029 -4.562 1096 H GLU 145 H GLU 145 0.781 12.420 -5.506 1097 HA GLU 145 HA GLU 145 -0.519 11.189 -3.126 1098 HB2 GLU 145 2HB GLU 145 -1.098 10.764 -6.064 1099 HB3 GLU 145 1HB GLU 145 -2.009 10.079 -4.721 1100 HG2 GLU 145 2HG GLU 145 -1.683 13.044 -5.269 1101 HG3 GLU 145 1HG GLU 145 -3.119 12.096 -5.653 1102 H THR 146 H THR 146 -0.554 8.732 -3.196 1103 HA THR 146 HA THR 146 2.071 7.676 -3.339 1104 HB THR 146 HB THR 146 -0.608 6.293 -3.462 1105 HG1 THR 146 1HG THR 146 0.517 7.532 -1.551 1106 HG21 THR 146 1HG2 THR 146 0.823 4.293 -2.693 1107 HG22 THR 146 2HG2 THR 146 2.196 5.204 -3.324 1108 HG23 THR 146 3HG2 THR 146 0.881 4.728 -4.403 1109 H LEU 147 H LEU 147 -0.511 7.787 -5.718 1110 HA LEU 147 HA LEU 147 0.726 6.058 -7.636 1111 HB2 LEU 147 2HB LEU 147 -1.235 8.328 -8.072 1112 HB3 LEU 147 1HB LEU 147 -0.876 7.029 -9.206 1113 HG LEU 147 HG LEU 147 -1.486 5.445 -7.223 1114 HD11 LEU 147 1HD1 LEU 147 -2.004 6.599 -5.334 1115 HD12 LEU 147 2HD1 LEU 147 -3.566 6.835 -6.113 1116 HD13 LEU 147 3HD1 LEU 147 -2.339 8.093 -6.207 1117 HD21 LEU 147 1HD2 LEU 147 -2.767 5.558 -9.286 1118 HD22 LEU 147 2HD2 LEU 147 -3.543 7.052 -8.761 1119 HD23 LEU 147 3HD2 LEU 147 -3.887 5.541 -7.923 1120 H ALA 148 H ALA 148 1.038 9.473 -6.883 1121 HA ALA 148 HA ALA 148 2.363 10.263 -9.305 1122 HB1 ALA 148 1HB ALA 148 3.215 11.859 -7.077 1123 HB2 ALA 148 2HB ALA 148 1.495 11.502 -6.912 1124 HB3 ALA 148 3HB ALA 148 2.097 12.284 -8.374 1125 H ARG 149 H ARG 149 3.728 9.477 -6.080 1126 HA ARG 149 HA ARG 149 6.427 9.918 -6.893 1127 HB2 ARG 149 2HB ARG 149 6.853 8.262 -4.880 1128 HB3 ARG 149 1HB ARG 149 6.246 9.890 -4.592 1129 HG2 ARG 149 2HG ARG 149 4.178 9.152 -3.960 1130 HG3 ARG 149 1HG ARG 149 4.178 7.847 -5.142 1131 HD2 ARG 149 2HD ARG 149 5.210 6.360 -3.720 1132 HD3 ARG 149 1HD ARG 149 6.099 7.622 -2.869 1133 HE ARG 149 HE ARG 149 3.544 8.154 -2.099 1134 HH11 ARG 149 1HH1 ARG 149 2.460 7.135 -0.396 1135 HH12 ARG 149 2HH1 ARG 149 2.910 5.525 0.058 1136 HH21 ARG 149 1HH2 ARG 149 5.389 5.252 -2.351 1137 HH22 ARG 149 2HH2 ARG 149 4.568 4.460 -1.048 1138 H PHE 150 H PHE 150 4.697 6.793 -6.491 1139 HA PHE 150 HA PHE 150 6.904 5.268 -7.507 1140 HB2 PHE 150 2HB PHE 150 5.646 3.484 -6.968 1141 HB3 PHE 150 1HB PHE 150 4.531 4.656 -6.264 1142 HD1 PHE 150 1HD PHE 150 2.923 5.801 -8.071 1143 HD2 PHE 150 2HD PHE 150 4.810 1.975 -8.478 1144 HE1 PHE 150 1HE PHE 150 1.189 5.123 -9.708 1145 HE2 PHE 150 2HE PHE 150 3.090 1.294 -10.125 1146 HZ PHE 150 HZ PHE 150 1.282 2.866 -10.736 1147 H ALA 151 H ALA 151 4.124 6.779 -9.101 1148 HA ALA 151 HA ALA 151 4.503 5.459 -11.639 1149 HB1 ALA 151 1HB ALA 151 3.290 8.161 -10.982 1150 HB2 ALA 151 2HB ALA 151 2.413 6.638 -11.151 1151 HB3 ALA 151 3HB ALA 151 3.190 7.375 -12.553 1152 H ASN 152 H ASN 152 5.765 8.405 -10.187 1153 HA ASN 152 HA ASN 152 7.069 9.480 -12.480 1154 HB2 ASN 152 2HB ASN 152 7.716 9.716 -9.547 1155 HB3 ASN 152 1HB ASN 152 8.483 10.678 -10.803 1156 HD21 ASN 152 1HD2 ASN 152 6.892 11.866 -8.720 1157 HD22 ASN 152 2HD2 ASN 152 5.498 12.530 -9.433 1158 H VAL 153 H VAL 153 8.410 7.468 -9.855 1159 HA VAL 153 HA VAL 153 11.029 7.320 -10.996 1160 HB VAL 153 HB VAL 153 11.302 5.364 -9.456 1161 HG11 VAL 153 1HG1 VAL 153 10.110 7.969 -8.507 1162 HG12 VAL 153 2HG1 VAL 153 11.802 7.464 -8.485 1163 HG13 VAL 153 3HG1 VAL 153 10.652 6.744 -7.358 1164 HG21 VAL 153 1HG2 VAL 153 8.350 5.846 -9.141 1165 HG22 VAL 153 2HG2 VAL 153 9.285 5.091 -7.860 1166 HG23 VAL 153 3HG2 VAL 153 9.180 4.324 -9.443 1167 H ILE 154 H ILE 154 8.177 5.248 -11.312 1168 HA ILE 154 HA ILE 154 9.461 3.181 -12.802 1169 HB ILE 154 HB ILE 154 6.595 4.110 -12.674 1170 HG12 ILE 154 2HG1 ILE 154 8.021 1.708 -11.526 1171 HG13 ILE 154 1HG1 ILE 154 7.620 3.160 -10.624 1172 HG21 ILE 154 1HG2 ILE 154 6.686 3.024 -14.755 1173 HG22 ILE 154 2HG2 ILE 154 6.252 1.717 -13.657 1174 HG23 ILE 154 3HG2 ILE 154 7.916 1.887 -14.209 1175 HD11 ILE 154 1HD1 ILE 154 5.567 1.446 -12.040 1176 HD12 ILE 154 2HD1 ILE 154 5.254 2.804 -10.961 1177 HD13 ILE 154 3HD1 ILE 154 5.947 1.313 -10.326 1178 HBB 96F 201 HBB SUM 155 -1.176 11.235 -0.923 1179 HBC 96F 201 HBC SUM 155 0.563 10.879 -1.052 1180 HBA 96F 201 HBA SUM 155 -0.151 11.264 0.531 1181 HA2 96F 201 2HA SUM 155 -0.730 9.103 0.873 1182 HA1 96F 201 1HA SUM 155 0.226 8.697 -0.570 1183 HAY 96F 201 HAY SUM 155 -3.394 10.408 -0.630 1184 HAZ 96F 201 HAZ SUM 155 -2.849 9.603 0.863 1185 HA0 96F 201 0HA SUM 155 -3.931 8.750 -0.260 1186 HBE 96F 201 HBE SUM 155 -2.709 9.184 -2.732 1187 H1 96F 201 HAV SUM 155 -3.726 7.405 -2.427 1188 HAS 96F 201 HAS SUM 155 -5.575 5.176 -3.023 1189 HAT 96F 201 HAT SUM 155 -5.913 5.509 -4.739 1190 HAU 96F 201 HAU SUM 155 -4.894 6.626 -3.802 1191 HAK 96F 201 HAK SUM 155 -4.740 4.477 -6.310 1192 HAF 96F 201 HAF SUM 155 -2.174 2.199 -9.685 1193 HAE 96F 201 HAE SUM 155 -0.152 0.936 -10.358 1194 HAD 96F 201 HAD SUM 155 1.685 0.573 -8.724 1195 HAR 96F 201 HAR SUM 155 1.354 0.792 -5.519 1196 HAQ 96F 201 HAQ SUM 155 -1.448 3.693 -1.906 Start of MODEL 8 1 H MET 1 1HT MET 1 -4.009 12.896 4.901 2 HA MET 1 HA MET 1 -3.037 13.852 6.730 3 HB2 MET 1 2HB MET 1 -4.685 15.469 5.094 4 HB3 MET 1 1HB MET 1 -4.892 16.062 6.743 5 HG2 MET 1 2HG MET 1 -2.199 15.563 5.445 6 HG3 MET 1 1HG MET 1 -2.976 17.143 5.536 7 HE1 MET 1 1HE MET 1 0.101 16.802 8.068 8 HE2 MET 1 2HE MET 1 -0.311 16.940 6.360 9 HE3 MET 1 3HE MET 1 -0.162 15.347 7.097 10 HA PRO 2 HA PRO 2 -6.773 14.640 9.826 11 HB2 PRO 2 2HB PRO 2 -8.676 12.626 8.776 12 HB3 PRO 2 1HB PRO 2 -8.981 14.276 9.351 13 HG2 PRO 2 2HG PRO 2 -9.086 13.634 6.756 14 HG3 PRO 2 1HG PRO 2 -8.522 15.216 7.318 15 HD2 PRO 2 2HD PRO 2 -6.926 12.899 6.294 16 HD3 PRO 2 1HD PRO 2 -6.639 14.645 6.096 17 H GLU 3 H GLU 3 -6.951 13.420 11.751 18 HA GLU 3 HA GLU 3 -5.275 11.125 12.015 19 HB2 GLU 3 2HB GLU 3 -7.470 12.172 13.830 20 HB3 GLU 3 1HB GLU 3 -6.284 10.951 14.286 21 HG2 GLU 3 2HG GLU 3 -4.460 12.570 13.805 22 HG3 GLU 3 1HG GLU 3 -5.674 13.795 13.436 23 H GLU 4 H GLU 4 -8.694 11.500 11.337 24 HA GLU 4 HA GLU 4 -9.149 8.585 11.642 25 HB2 GLU 4 2HB GLU 4 -10.811 10.248 12.517 26 HB3 GLU 4 1HB GLU 4 -11.100 10.748 10.853 27 HG2 GLU 4 2HG GLU 4 -11.726 8.406 10.283 28 HG3 GLU 4 1HG GLU 4 -11.527 7.969 11.983 29 H ILE 5 H ILE 5 -9.663 7.256 9.871 30 HA ILE 5 HA ILE 5 -9.265 8.507 7.186 31 HB ILE 5 HB ILE 5 -8.835 5.619 7.349 32 HG12 ILE 5 2HG1 ILE 5 -8.001 6.261 9.583 33 HG13 ILE 5 1HG1 ILE 5 -6.702 5.744 8.518 34 HG21 ILE 5 1HG2 ILE 5 -6.784 6.273 6.128 35 HG22 ILE 5 2HG2 ILE 5 -7.205 7.964 6.385 36 HG23 ILE 5 3HG2 ILE 5 -8.247 6.936 5.399 37 HD11 ILE 5 1HD1 ILE 5 -6.864 8.174 9.905 38 HD12 ILE 5 2HD1 ILE 5 -7.196 8.573 8.222 39 HD13 ILE 5 3HD1 ILE 5 -5.703 7.743 8.652 40 HA PRO 6 HA PRO 6 -13.482 6.695 7.069 41 HB2 PRO 6 2HB PRO 6 -14.606 8.664 5.535 42 HB3 PRO 6 1HB PRO 6 -14.466 8.766 7.300 43 HG2 PRO 6 2HG PRO 6 -12.905 10.130 5.203 44 HG3 PRO 6 1HG PRO 6 -13.288 10.647 6.850 45 HD2 PRO 6 2HD PRO 6 -10.835 9.579 5.985 46 HD3 PRO 6 1HD PRO 6 -11.347 9.772 7.675 47 H ASP 7 H ASP 7 -14.821 6.089 5.052 48 HA ASP 7 HA ASP 7 -13.119 4.873 3.112 49 HB2 ASP 7 2HB ASP 7 -15.263 4.413 1.900 50 HB3 ASP 7 1HB ASP 7 -15.318 3.951 3.599 51 H VAL 8 H VAL 8 -12.195 5.740 1.346 52 HA VAL 8 HA VAL 8 -13.507 8.023 -0.020 53 HB VAL 8 HB VAL 8 -11.829 9.036 1.471 54 HG11 VAL 8 1HG1 VAL 8 -10.214 7.341 1.818 55 HG12 VAL 8 2HG1 VAL 8 -9.378 8.558 0.859 56 HG13 VAL 8 3HG1 VAL 8 -9.973 7.091 0.092 57 HG21 VAL 8 1HG2 VAL 8 -11.059 10.498 -0.127 58 HG22 VAL 8 2HG2 VAL 8 -12.235 9.627 -1.111 59 HG23 VAL 8 3HG2 VAL 8 -10.525 9.206 -1.201 60 H ARG 9 H ARG 9 -13.221 7.984 -2.276 61 HA ARG 9 HA ARG 9 -11.586 5.693 -3.311 62 HB2 ARG 9 2HB ARG 9 -14.053 5.336 -3.482 63 HB3 ARG 9 1HB ARG 9 -14.157 6.786 -4.485 64 HG2 ARG 9 2HG ARG 9 -12.551 5.750 -6.087 65 HG3 ARG 9 1HG ARG 9 -12.570 4.279 -5.114 66 HD2 ARG 9 2HD ARG 9 -14.993 5.542 -6.429 67 HD3 ARG 9 1HD ARG 9 -14.145 4.108 -7.009 68 HE ARG 9 HE ARG 9 -15.024 3.831 -4.251 69 HH11 ARG 9 1HH1 ARG 9 -16.686 2.341 -3.897 70 HH12 ARG 9 2HH1 ARG 9 -17.621 1.771 -5.240 71 HH21 ARG 9 1HH2 ARG 9 -15.897 3.662 -7.581 72 HH22 ARG 9 2HH2 ARG 9 -17.173 2.520 -7.326 73 H LYS 10 H LYS 10 -9.925 6.376 -4.549 74 HA LYS 10 HA LYS 10 -10.341 8.722 -6.332 75 HB2 LYS 10 2HB LYS 10 -7.977 8.332 -4.472 76 HB3 LYS 10 1HB LYS 10 -8.048 9.539 -5.761 77 HG2 LYS 10 2HG LYS 10 -10.094 10.493 -4.706 78 HG3 LYS 10 1HG LYS 10 -9.919 9.341 -3.385 79 HD2 LYS 10 2HD LYS 10 -7.651 10.267 -2.921 80 HD3 LYS 10 1HD LYS 10 -7.916 11.473 -4.180 81 HE2 LYS 10 2HE LYS 10 -9.386 11.159 -1.560 82 HE3 LYS 10 1HE LYS 10 -8.506 12.567 -2.155 83 HZ1 LYS 10 1HZ LYS 10 -10.768 13.032 -2.482 84 HZ2 LYS 10 2HZ LYS 10 -11.090 11.490 -3.118 85 HZ3 LYS 10 3HZ LYS 10 -10.180 12.610 -4.016 86 H SER 11 H SER 11 -9.195 8.561 -8.294 87 HA SER 11 HA SER 11 -7.427 6.179 -8.631 88 HB2 SER 11 2HB SER 11 -9.566 6.923 -10.636 89 HB3 SER 11 1HB SER 11 -8.566 5.475 -10.615 90 HG SER 11 HG SER 11 -9.606 5.196 -8.425 91 H VAL 12 H VAL 12 -5.829 6.453 -10.247 92 HA VAL 12 HA VAL 12 -5.808 9.014 -11.738 93 HB VAL 12 HB VAL 12 -4.042 8.348 -9.470 94 HG11 VAL 12 1HG1 VAL 12 -2.927 9.367 -12.099 95 HG12 VAL 12 2HG1 VAL 12 -2.391 7.951 -11.190 96 HG13 VAL 12 3HG1 VAL 12 -2.106 9.568 -10.553 97 HG21 VAL 12 1HG2 VAL 12 -4.444 10.962 -10.932 98 HG22 VAL 12 2HG2 VAL 12 -3.973 10.722 -9.249 99 HG23 VAL 12 3HG2 VAL 12 -5.615 10.344 -9.767 100 H VAL 13 H VAL 13 -4.348 8.940 -13.584 101 HA VAL 13 HA VAL 13 -3.750 6.146 -14.402 102 HB VAL 13 HB VAL 13 -3.915 8.660 -16.091 103 HG11 VAL 13 1HG1 VAL 13 -3.076 7.387 -17.747 104 HG12 VAL 13 2HG1 VAL 13 -4.356 6.200 -17.500 105 HG13 VAL 13 3HG1 VAL 13 -2.846 6.068 -16.600 106 HG21 VAL 13 1HG2 VAL 13 -5.959 6.960 -14.949 107 HG22 VAL 13 2HG2 VAL 13 -5.984 6.836 -16.708 108 HG23 VAL 13 3HG2 VAL 13 -6.151 8.411 -15.932 109 H VAL 14 H VAL 14 -1.662 5.514 -14.750 110 HA VAL 14 HA VAL 14 0.444 7.632 -14.764 111 HB VAL 14 HB VAL 14 1.858 6.224 -13.350 112 HG11 VAL 14 1HG1 VAL 14 -0.920 6.505 -12.167 113 HG12 VAL 14 2HG1 VAL 14 0.263 7.809 -12.278 114 HG13 VAL 14 3HG1 VAL 14 0.591 6.404 -11.265 115 HG21 VAL 14 1HG2 VAL 14 0.480 4.241 -12.244 116 HG22 VAL 14 2HG2 VAL 14 1.331 4.002 -13.770 117 HG23 VAL 14 3HG2 VAL 14 -0.405 4.309 -13.766 118 H ALA 15 H ALA 15 2.523 6.807 -15.739 119 HA ALA 15 HA ALA 15 1.901 5.256 -18.142 120 HB1 ALA 15 1HB ALA 15 4.698 6.030 -17.427 121 HB2 ALA 15 2HB ALA 15 3.545 7.315 -17.795 122 HB3 ALA 15 3HB ALA 15 3.892 6.071 -18.996 123 H ALA 16 H ALA 16 1.564 3.079 -17.464 124 HA ALA 16 HA ALA 16 3.918 1.478 -17.151 125 HB1 ALA 16 1HB ALA 16 3.192 2.697 -14.771 126 HB2 ALA 16 2HB ALA 16 4.172 1.239 -14.915 127 HB3 ALA 16 3HB ALA 16 2.434 1.110 -14.651 128 H SER 17 H SER 17 3.333 -0.842 -16.780 129 HA SER 17 HA SER 17 0.614 -1.390 -17.840 130 HB2 SER 17 2HB SER 17 3.042 -3.202 -17.629 131 HB3 SER 17 1HB SER 17 1.513 -3.625 -18.393 132 HG SER 17 HG SER 17 3.106 -2.871 -19.886 133 H VAL 18 H VAL 18 -0.721 -2.973 -16.724 134 HA VAL 18 HA VAL 18 -0.687 -2.797 -13.905 135 HB VAL 18 HB VAL 18 -2.326 -4.649 -13.965 136 HG11 VAL 18 1HG1 VAL 18 -2.787 -2.808 -16.307 137 HG12 VAL 18 2HG1 VAL 18 -2.839 -2.229 -14.646 138 HG13 VAL 18 3HG1 VAL 18 -3.984 -3.458 -15.191 139 HG21 VAL 18 1HG2 VAL 18 -1.674 -6.195 -15.560 140 HG22 VAL 18 2HG2 VAL 18 -1.134 -4.953 -16.689 141 HG23 VAL 18 3HG2 VAL 18 -2.856 -5.288 -16.504 142 H GLU 19 H GLU 19 0.620 -5.334 -16.026 143 HA GLU 19 HA GLU 19 1.381 -7.143 -13.964 144 HB2 GLU 19 2HB GLU 19 1.420 -7.658 -16.421 145 HB3 GLU 19 1HB GLU 19 2.845 -6.633 -16.560 146 HG2 GLU 19 2HG GLU 19 4.005 -8.064 -14.884 147 HG3 GLU 19 1HG GLU 19 2.597 -9.128 -14.860 148 H HIS 20 H HIS 20 2.984 -4.329 -15.375 149 HA HIS 20 HA HIS 20 5.459 -4.601 -13.946 150 HB2 HIS 20 2HB HIS 20 5.420 -3.105 -15.818 151 HB3 HIS 20 1HB HIS 20 4.057 -2.205 -15.146 152 HD1 HIS 20 1HD HIS 20 7.734 -2.414 -15.078 153 HD2 HIS 20 2HD HIS 20 4.756 -0.715 -12.689 154 HE1 HIS 20 1HE HIS 20 8.894 -0.810 -13.501 155 HE2 HIS 20 2HE HIS 20 7.093 0.238 -12.064 156 H CYS 21 H CYS 21 2.418 -2.934 -13.231 157 HA CYS 21 HA CYS 21 3.152 -1.484 -10.964 158 HB2 CYS 21 2HB CYS 21 0.599 -3.026 -11.494 159 HB3 CYS 21 1HB CYS 21 0.791 -1.841 -10.207 160 HG CYS 21 HG CYS 21 1.601 -0.477 -12.708 161 H PHE 22 H PHE 22 2.242 -4.915 -11.181 162 HA PHE 22 HA PHE 22 2.714 -5.234 -8.314 163 HB2 PHE 22 2HB PHE 22 1.481 -6.827 -10.407 164 HB3 PHE 22 1HB PHE 22 2.527 -7.795 -9.356 165 HD1 PHE 22 1HD PHE 22 -0.242 -5.313 -9.357 166 HD2 PHE 22 2HD PHE 22 1.939 -8.239 -7.094 167 HE1 PHE 22 1HE PHE 22 -1.873 -5.097 -7.513 168 HE2 PHE 22 2HE PHE 22 0.300 -8.038 -5.241 169 HZ PHE 22 HZ PHE 22 -1.603 -6.453 -5.459 170 H GLU 23 H GLU 23 4.527 -5.722 -11.261 171 HA GLU 23 HA GLU 23 6.518 -7.474 -10.219 172 HB2 GLU 23 2HB GLU 23 6.384 -6.890 -12.614 173 HB3 GLU 23 1HB GLU 23 6.833 -5.231 -12.226 174 HG2 GLU 23 2HG GLU 23 8.972 -6.045 -11.273 175 HG3 GLU 23 1HG GLU 23 8.532 -7.692 -11.732 176 H VAL 24 H VAL 24 6.129 -3.966 -10.107 177 HA VAL 24 HA VAL 24 8.609 -3.431 -8.760 178 HB VAL 24 HB VAL 24 6.017 -1.855 -8.845 179 HG11 VAL 24 1HG1 VAL 24 8.320 -0.219 -8.572 180 HG12 VAL 24 2HG1 VAL 24 8.433 -1.480 -7.346 181 HG13 VAL 24 3HG1 VAL 24 7.010 -0.442 -7.416 182 HG21 VAL 24 1HG2 VAL 24 7.521 -0.522 -10.511 183 HG22 VAL 24 2HG2 VAL 24 6.761 -2.014 -11.068 184 HG23 VAL 24 3HG2 VAL 24 8.461 -2.010 -10.600 185 H PHE 25 H PHE 25 5.295 -4.029 -7.662 186 HA PHE 25 HA PHE 25 5.572 -3.423 -4.927 187 HB2 PHE 25 2HB PHE 25 3.898 -5.448 -6.401 188 HB3 PHE 25 1HB PHE 25 3.779 -5.245 -4.660 189 HD1 PHE 25 1HD PHE 25 4.599 -2.197 -6.526 190 HD2 PHE 25 2HD PHE 25 1.368 -4.666 -5.103 191 HE1 PHE 25 1HE PHE 25 3.036 -0.328 -6.813 192 HE2 PHE 25 2HE PHE 25 -0.191 -2.776 -5.403 193 HZ PHE 25 HZ PHE 25 0.649 -0.607 -6.252 194 H THR 26 H THR 26 6.154 -6.560 -6.537 195 HA THR 26 HA THR 26 7.246 -7.568 -3.989 196 HB THR 26 HB THR 26 7.344 -9.749 -5.211 197 HG1 THR 26 1HG THR 26 5.966 -9.588 -7.208 198 HG21 THR 26 1HG2 THR 26 4.617 -9.385 -5.707 199 HG22 THR 26 2HG2 THR 26 5.004 -8.204 -4.457 200 HG23 THR 26 3HG2 THR 26 5.344 -9.914 -4.189 201 H SER 27 H SER 27 8.484 -5.921 -6.608 202 HA SER 27 HA SER 27 11.020 -7.449 -6.633 203 HB2 SER 27 2HB SER 27 10.230 -6.741 -8.798 204 HB3 SER 27 1HB SER 27 10.085 -5.078 -8.245 205 HG SER 27 HG SER 27 12.037 -5.518 -9.421 206 H ARG 28 H ARG 28 9.923 -4.107 -5.843 207 HA ARG 28 HA ARG 28 11.823 -3.841 -3.713 208 HB2 ARG 28 2HB ARG 28 13.263 -2.089 -4.966 209 HB3 ARG 28 1HB ARG 28 13.604 -3.789 -5.238 210 HG2 ARG 28 2HG ARG 28 13.590 -2.741 -7.398 211 HG3 ARG 28 1HG ARG 28 12.102 -3.656 -7.296 212 HD2 ARG 28 2HD ARG 28 10.813 -1.662 -6.879 213 HD3 ARG 28 1HD ARG 28 12.276 -0.697 -6.657 214 HE ARG 28 HE ARG 28 11.144 -1.555 -9.225 215 HH11 ARG 28 1HH1 ARG 28 12.169 -0.674 -11.034 216 HH12 ARG 28 2HH1 ARG 28 13.690 0.134 -10.844 217 HH21 ARG 28 1HH2 ARG 28 13.836 -0.381 -7.419 218 HH22 ARG 28 2HH2 ARG 28 14.632 0.300 -8.798 219 HA PRO 29 HA PRO 29 8.445 -0.610 -4.486 220 HB2 PRO 29 2HB PRO 29 7.364 -0.928 -1.924 221 HB3 PRO 29 1HB PRO 29 6.701 -1.589 -3.429 222 HG2 PRO 29 2HG PRO 29 8.316 -2.901 -1.342 223 HG3 PRO 29 1HG PRO 29 7.077 -3.572 -2.402 224 HD2 PRO 29 2HD PRO 29 9.738 -4.038 -2.794 225 HD3 PRO 29 1HD PRO 29 8.570 -3.982 -4.126 226 H ALA 30 H ALA 30 10.621 -1.221 -1.788 227 HA ALA 30 HA ALA 30 10.379 1.475 -0.716 228 HB1 ALA 30 1HB ALA 30 12.561 0.709 0.494 229 HB2 ALA 30 2HB ALA 30 12.177 -0.870 -0.185 230 HB3 ALA 30 3HB ALA 30 11.036 -0.077 0.902 231 H ASP 31 H ASP 31 12.630 -0.144 -2.918 232 HA ASP 31 HA ASP 31 14.666 1.838 -2.895 233 HB2 ASP 31 2HB ASP 31 13.830 0.045 -5.176 234 HB3 ASP 31 1HB ASP 31 15.354 0.917 -5.069 235 H TRP 32 H TRP 32 11.627 1.792 -4.809 236 HA TRP 32 HA TRP 32 12.543 3.880 -6.555 237 HB2 TRP 32 2HB TRP 32 10.472 3.875 -7.541 238 HB3 TRP 32 1HB TRP 32 10.435 2.295 -6.777 239 HD1 TRP 32 HD TRP 32 9.474 5.898 -5.620 240 HE1 TRP 32 1HE TRP 32 7.218 5.750 -4.411 241 HE3 TRP 32 3HE TRP 32 8.530 0.921 -6.139 242 HZ2 TRP 32 2HZ TRP 32 5.257 3.788 -3.785 243 HZ3 TRP 32 3HZ TRP 32 6.418 -0.055 -5.253 244 HH2 TRP 32 HH TRP 32 4.781 1.377 -4.079 245 H TRP 33 H TRP 33 11.133 3.966 -3.333 246 HA TRP 33 HA TRP 33 10.282 6.621 -3.177 247 HB2 TRP 33 2HB TRP 33 10.017 5.579 -1.142 248 HB3 TRP 33 1HB TRP 33 11.550 4.720 -1.267 249 HD1 TRP 33 HD TRP 33 10.835 8.508 -1.368 250 HE1 TRP 33 1HE TRP 33 12.292 9.655 0.422 251 HE3 TRP 33 3HE TRP 33 13.038 4.409 0.725 252 HZ2 TRP 33 2HZ TRP 33 14.148 8.927 2.473 253 HZ3 TRP 33 3HZ TRP 33 14.645 4.662 2.595 254 HH2 TRP 33 HH TRP 33 15.202 6.914 3.471 255 HA PRO 34 HA PRO 34 14.080 8.563 -4.799 256 HB2 PRO 34 2HB PRO 34 12.724 10.933 -3.579 257 HB3 PRO 34 1HB PRO 34 13.477 10.764 -5.176 258 HG2 PRO 34 2HG PRO 34 10.828 10.717 -4.857 259 HG3 PRO 34 1HG PRO 34 11.646 9.733 -6.082 260 HD2 PRO 34 2HD PRO 34 10.364 8.878 -3.546 261 HD3 PRO 34 1HD PRO 34 10.648 7.954 -5.034 262 HA PRO 35 HA PRO 35 16.222 8.628 -0.834 263 HB2 PRO 35 2HB PRO 35 18.713 9.279 -1.737 264 HB3 PRO 35 1HB PRO 35 18.014 7.657 -1.902 265 HG2 PRO 35 2HG PRO 35 18.264 9.824 -3.919 266 HG3 PRO 35 1HG PRO 35 18.438 8.071 -4.111 267 HD2 PRO 35 2HD PRO 35 16.175 9.465 -4.835 268 HD3 PRO 35 1HD PRO 35 16.176 7.744 -4.394 269 H SER 36 H SER 36 16.030 11.362 -2.984 270 HA SER 36 HA SER 36 17.473 13.259 -1.382 271 HB2 SER 36 2HB SER 36 16.462 14.939 -2.748 272 HB3 SER 36 1HB SER 36 16.687 13.544 -3.799 273 HG SER 36 HG SER 36 14.376 13.172 -2.685 274 H HIS 37 H HIS 37 16.573 14.897 0.042 275 HA HIS 37 HA HIS 37 15.368 15.328 2.036 276 HB2 HIS 37 2HB HIS 37 14.027 16.311 0.090 277 HB3 HIS 37 1HB HIS 37 12.996 14.885 0.209 278 HD1 HIS 37 1HD HIS 37 14.396 17.492 2.637 279 HD2 HIS 37 2HD HIS 37 10.898 15.327 1.942 280 HE1 HIS 37 1HE HIS 37 12.725 18.247 4.386 281 HE2 HIS 37 2HE HIS 37 10.593 16.936 3.971 282 H VAL 38 H VAL 38 12.808 14.407 2.843 283 HA VAL 38 HA VAL 38 13.232 11.449 3.028 284 HB VAL 38 HB VAL 38 12.262 13.280 5.243 285 HG11 VAL 38 1HG1 VAL 38 12.654 10.313 4.954 286 HG12 VAL 38 2HG1 VAL 38 11.304 11.189 5.674 287 HG13 VAL 38 3HG1 VAL 38 12.837 11.072 6.536 288 HG21 VAL 38 1HG2 VAL 38 14.680 13.566 4.714 289 HG22 VAL 38 2HG2 VAL 38 14.910 11.829 4.927 290 HG23 VAL 38 3HG2 VAL 38 14.430 12.831 6.297 291 H LEU 39 H LEU 39 11.511 10.425 2.145 292 HA LEU 39 HA LEU 39 8.861 11.811 2.207 293 HB2 LEU 39 2HB LEU 39 9.778 9.596 0.354 294 HB3 LEU 39 1HB LEU 39 8.271 10.504 0.244 295 HG LEU 39 HG LEU 39 11.070 11.628 -0.068 296 HD11 LEU 39 1HD1 LEU 39 8.869 10.848 -1.938 297 HD12 LEU 39 2HD1 LEU 39 10.614 10.695 -2.137 298 HD13 LEU 39 3HD1 LEU 39 9.838 12.265 -2.341 299 HD21 LEU 39 1HD2 LEU 39 8.362 12.894 0.229 300 HD22 LEU 39 2HD2 LEU 39 9.563 13.666 -0.806 301 HD23 LEU 39 3HD2 LEU 39 9.910 13.405 0.903 302 H VAL 40 H VAL 40 10.538 9.493 3.818 303 HA VAL 40 HA VAL 40 8.030 7.995 4.462 304 HB VAL 40 HB VAL 40 9.580 6.580 3.101 305 HG11 VAL 40 1HG1 VAL 40 11.748 5.946 4.034 306 HG12 VAL 40 2HG1 VAL 40 11.471 6.971 5.442 307 HG13 VAL 40 3HG1 VAL 40 11.676 7.697 3.849 308 HG21 VAL 40 1HG2 VAL 40 9.730 4.702 4.748 309 HG22 VAL 40 2HG2 VAL 40 8.148 5.480 4.730 310 HG23 VAL 40 3HG2 VAL 40 9.289 5.834 6.023 311 H LYS 41 H LYS 41 7.671 7.710 6.673 312 HA LYS 41 HA LYS 41 9.039 9.401 8.525 313 HB2 LYS 41 2HB LYS 41 6.726 8.518 8.857 314 HB3 LYS 41 1HB LYS 41 7.420 6.923 9.145 315 HG2 LYS 41 2HG LYS 41 8.759 7.886 11.019 316 HG3 LYS 41 1HG LYS 41 7.932 9.425 10.774 317 HD2 LYS 41 2HD LYS 41 5.747 8.215 11.119 318 HD3 LYS 41 1HD LYS 41 6.676 6.786 11.569 319 HE2 LYS 41 2HE LYS 41 7.703 7.967 13.424 320 HE3 LYS 41 1HE LYS 41 6.944 9.480 12.929 321 HZ1 LYS 41 1HZ LYS 41 5.840 8.133 14.774 322 HZ2 LYS 41 2HZ LYS 41 5.326 7.087 13.537 323 HZ3 LYS 41 3HZ LYS 41 4.851 8.719 13.527 324 H LYS 42 H LYS 42 9.377 5.988 7.722 325 HA LYS 42 HA LYS 42 11.867 5.897 9.380 326 HB2 LYS 42 2HB LYS 42 11.449 3.514 9.691 327 HB3 LYS 42 1HB LYS 42 10.010 4.408 10.184 328 HG2 LYS 42 2HG LYS 42 9.059 4.024 7.893 329 HG3 LYS 42 1HG LYS 42 10.445 2.993 7.538 330 HD2 LYS 42 2HD LYS 42 9.821 1.636 9.591 331 HD3 LYS 42 1HD LYS 42 8.314 2.553 9.639 332 HE2 LYS 42 2HE LYS 42 7.699 1.780 7.429 333 HE3 LYS 42 1HE LYS 42 9.272 1.012 7.212 334 HZ1 LYS 42 1HZ LYS 42 7.584 0.262 9.502 335 HZ2 LYS 42 2HZ LYS 42 8.773 -0.647 8.699 336 HZ3 LYS 42 3HZ LYS 42 7.259 -0.396 7.973 337 H GLU 43 H GLU 43 13.706 4.988 8.350 338 HA GLU 43 HA GLU 43 13.640 5.072 5.438 339 HB2 GLU 43 2HB GLU 43 15.843 4.285 7.353 340 HB3 GLU 43 1HB GLU 43 16.051 4.503 5.617 341 HG2 GLU 43 2HG GLU 43 15.262 6.850 5.844 342 HG3 GLU 43 1HG GLU 43 15.150 6.623 7.589 343 H ARG 44 H ARG 44 12.773 3.376 4.348 344 HA ARG 44 HA ARG 44 12.578 0.714 5.442 345 HB2 ARG 44 2HB ARG 44 12.339 1.642 2.560 346 HB3 ARG 44 1HB ARG 44 11.801 0.086 3.187 347 HG2 ARG 44 2HG ARG 44 10.303 1.321 4.782 348 HG3 ARG 44 1HG ARG 44 10.744 2.815 3.959 349 HD2 ARG 44 2HD ARG 44 9.966 1.773 1.804 350 HD3 ARG 44 1HD ARG 44 9.361 0.409 2.744 351 HE ARG 44 HE ARG 44 8.232 2.679 3.929 352 HH11 ARG 44 1HH1 ARG 44 6.179 3.410 3.327 353 HH12 ARG 44 2HH1 ARG 44 5.551 2.996 1.766 354 HH21 ARG 44 1HH2 ARG 44 8.353 1.182 0.826 355 HH22 ARG 44 2HH2 ARG 44 6.782 1.735 0.350 356 H ALA 45 H ALA 45 13.922 -1.092 5.040 357 HA ALA 45 HA ALA 45 16.476 -0.494 3.587 358 HB1 ALA 45 1HB ALA 45 17.149 -0.515 5.824 359 HB2 ALA 45 2HB ALA 45 17.413 -2.192 5.344 360 HB3 ALA 45 3HB ALA 45 15.972 -1.754 6.263 361 H GLY 46 H GLY 46 14.417 -3.168 4.788 362 HA2 GLY 46 2HA GLY 46 15.129 -4.657 2.296 363 HA3 GLY 46 1HA GLY 46 15.259 -5.462 3.860 364 H LEU 47 H LEU 47 13.527 -6.479 1.902 365 HA LEU 47 HA LEU 47 10.990 -6.208 3.348 366 HB2 LEU 47 2HB LEU 47 10.227 -6.039 0.623 367 HB3 LEU 47 1HB LEU 47 9.967 -4.843 1.891 368 HG LEU 47 HG LEU 47 12.147 -3.819 1.405 369 HD11 LEU 47 1HD1 LEU 47 12.568 -6.339 0.038 370 HD12 LEU 47 2HD1 LEU 47 13.748 -5.097 0.451 371 HD13 LEU 47 3HD1 LEU 47 12.851 -4.992 -1.063 372 HD21 LEU 47 1HD2 LEU 47 10.004 -4.127 -0.563 373 HD22 LEU 47 2HD2 LEU 47 11.528 -3.596 -1.267 374 HD23 LEU 47 3HD2 LEU 47 10.778 -2.660 0.028 375 H ALA 48 H ALA 48 9.746 -8.025 3.230 376 HA ALA 48 HA ALA 48 10.772 -10.230 1.497 377 HB1 ALA 48 1HB ALA 48 8.842 -10.742 3.727 378 HB2 ALA 48 2HB ALA 48 10.506 -10.352 4.165 379 HB3 ALA 48 3HB ALA 48 10.166 -11.749 3.142 380 H PHE 49 H PHE 49 9.357 -11.062 -0.042 381 HA PHE 49 HA PHE 49 6.531 -10.074 0.045 382 HB2 PHE 49 2HB PHE 49 8.634 -9.619 -1.960 383 HB3 PHE 49 1HB PHE 49 7.107 -10.194 -2.630 384 HD1 PHE 49 1HD PHE 49 4.990 -8.941 -2.152 385 HD2 PHE 49 2HD PHE 49 8.859 -7.420 -1.087 386 HE1 PHE 49 1HE PHE 49 4.042 -6.654 -1.972 387 HE2 PHE 49 2HE PHE 49 7.913 -5.140 -0.897 388 HZ PHE 49 HZ PHE 49 5.497 -4.765 -1.336 389 H GLU 50 H GLU 50 5.037 -11.651 -0.369 390 HA GLU 50 HA GLU 50 5.990 -14.073 -1.840 391 HB2 GLU 50 2HB GLU 50 4.635 -13.902 0.806 392 HB3 GLU 50 1HB GLU 50 4.246 -15.266 -0.236 393 HG2 GLU 50 2HG GLU 50 7.033 -14.428 0.574 394 HG3 GLU 50 1HG GLU 50 6.122 -15.720 1.347 395 HA PRO 51 HA PRO 51 2.152 -13.043 -4.000 396 HB2 PRO 51 2HB PRO 51 2.239 -14.828 -5.971 397 HB3 PRO 51 1HB PRO 51 3.459 -13.543 -5.859 398 HG2 PRO 51 2HG PRO 51 3.668 -16.418 -5.089 399 HG3 PRO 51 1HG PRO 51 4.850 -15.385 -5.910 400 HD2 PRO 51 2HD PRO 51 4.880 -15.959 -3.179 401 HD3 PRO 51 1HD PRO 51 5.689 -14.572 -3.946 402 H PHE 52 H PHE 52 0.043 -13.639 -3.497 403 HA PHE 52 HA PHE 52 -1.089 -16.206 -3.705 404 HB2 PHE 52 2HB PHE 52 -1.245 -16.622 -1.116 405 HB3 PHE 52 1HB PHE 52 0.181 -17.160 -1.992 406 HD1 PHE 52 1HD PHE 52 1.236 -17.112 0.352 407 HD2 PHE 52 2HD PHE 52 -0.049 -13.527 -1.652 408 HE1 PHE 52 1HE PHE 52 2.667 -15.732 1.836 409 HE2 PHE 52 2HE PHE 52 1.401 -12.191 -0.223 410 HZ PHE 52 HZ PHE 52 2.731 -13.262 1.553 411 H VAL 53 H VAL 53 -3.081 -16.399 -2.087 412 HA VAL 53 HA VAL 53 -4.494 -13.789 -2.167 413 HB VAL 53 HB VAL 53 -6.049 -15.248 -3.010 414 HG11 VAL 53 1HG1 VAL 53 -6.030 -17.696 -2.498 415 HG12 VAL 53 2HG1 VAL 53 -4.648 -17.425 -1.436 416 HG13 VAL 53 3HG1 VAL 53 -4.505 -17.116 -3.168 417 HG21 VAL 53 1HG2 VAL 53 -6.334 -16.182 -0.145 418 HG22 VAL 53 2HG2 VAL 53 -7.603 -15.997 -1.356 419 HG23 VAL 53 3HG2 VAL 53 -6.830 -14.571 -0.667 420 H GLY 54 H GLY 54 -5.262 -12.837 -0.159 421 HA2 GLY 54 2HA GLY 54 -5.198 -12.495 2.202 422 HA3 GLY 54 1HA GLY 54 -5.052 -14.255 2.372 423 H GLY 55 H GLY 55 -3.087 -12.376 0.301 424 HA2 GLY 55 2HA GLY 55 -0.664 -13.508 1.241 425 HA3 GLY 55 1HA GLY 55 -0.838 -12.234 0.036 426 H ARG 56 H ARG 56 1.361 -12.018 1.503 427 HA ARG 56 HA ARG 56 0.744 -9.659 3.190 428 HB2 ARG 56 2HB ARG 56 2.310 -12.063 4.143 429 HB3 ARG 56 1HB ARG 56 2.249 -10.517 4.989 430 HG2 ARG 56 2HG ARG 56 -0.243 -10.730 5.098 431 HG3 ARG 56 1HG ARG 56 -0.099 -12.335 4.382 432 HD2 ARG 56 2HD ARG 56 1.389 -13.000 6.273 433 HD3 ARG 56 1HD ARG 56 1.095 -11.427 7.013 434 HE ARG 56 HE ARG 56 -1.105 -12.146 7.575 435 HH11 ARG 56 1HH1 ARG 56 -2.628 -13.799 7.823 436 HH12 ARG 56 2HH1 ARG 56 -2.409 -15.295 6.977 437 HH21 ARG 56 1HH2 ARG 56 0.548 -14.311 5.457 438 HH22 ARG 56 2HH2 ARG 56 -0.612 -15.585 5.639 439 H TYR 57 H TYR 57 2.359 -8.157 3.286 440 HA TYR 57 HA TYR 57 4.886 -8.694 1.777 441 HB2 TYR 57 2HB TYR 57 3.504 -6.010 2.022 442 HB3 TYR 57 1HB TYR 57 4.871 -6.414 0.990 443 HD1 TYR 57 1HD TYR 57 3.919 -9.065 -0.140 444 HD2 TYR 57 2HD TYR 57 1.866 -5.336 0.488 445 HE1 TYR 57 1HE TYR 57 2.347 -9.621 -1.961 446 HE2 TYR 57 2HE TYR 57 0.298 -5.899 -1.343 447 HH TYR 57 HH TYR 57 0.627 -7.627 -3.573 448 H TYR 58 H TYR 58 6.791 -7.744 2.752 449 HA TYR 58 HA TYR 58 6.345 -6.658 5.505 450 HB2 TYR 58 2HB TYR 58 8.404 -8.737 4.732 451 HB3 TYR 58 1HB TYR 58 8.087 -8.116 6.352 452 HD1 TYR 58 1HD TYR 58 6.340 -9.765 3.470 453 HD2 TYR 58 2HD TYR 58 6.535 -9.194 7.728 454 HE1 TYR 58 1HE TYR 58 4.514 -11.400 3.773 455 HE2 TYR 58 2HE TYR 58 4.718 -10.850 8.027 456 HH TYR 58 HH TYR 58 3.778 -12.986 5.701 457 H GLU 59 H GLU 59 7.949 -5.242 6.284 458 HA GLU 59 HA GLU 59 10.040 -4.411 4.311 459 HB2 GLU 59 2HB GLU 59 8.027 -2.797 4.569 460 HB3 GLU 59 1HB GLU 59 8.686 -2.459 6.167 461 HG2 GLU 59 2HG GLU 59 9.604 -0.833 4.642 462 HG3 GLU 59 1HG GLU 59 10.895 -1.962 5.054 463 H TRP 60 H TRP 60 11.998 -3.680 5.264 464 HA TRP 60 HA TRP 60 12.318 -4.506 8.122 465 HB2 TRP 60 2HB TRP 60 13.919 -4.852 5.702 466 HB3 TRP 60 1HB TRP 60 14.851 -4.149 7.025 467 HD1 TRP 60 HD TRP 60 14.259 -5.527 9.513 468 HE1 TRP 60 1HE TRP 60 14.362 -8.093 9.823 469 HE3 TRP 60 3HE TRP 60 13.827 -7.037 4.653 470 HZ2 TRP 60 2HZ TRP 60 14.237 -10.466 8.209 471 HZ3 TRP 60 3HZ TRP 60 13.818 -9.436 4.065 472 HH2 TRP 60 HH TRP 60 14.028 -11.152 5.831 473 H ASP 61 H ASP 61 12.809 -2.892 9.571 474 HA ASP 61 HA ASP 61 13.605 -0.253 8.386 475 HB2 ASP 61 2HB ASP 61 11.623 -0.072 9.740 476 HB3 ASP 61 1HB ASP 61 12.389 -0.947 11.057 477 H ILE 62 H ILE 62 15.601 0.556 8.868 478 HA ILE 62 HA ILE 62 17.680 -1.118 9.685 479 HB ILE 62 HB ILE 62 19.077 0.837 9.844 480 HG12 ILE 62 2HG1 ILE 62 17.587 2.224 11.252 481 HG13 ILE 62 1HG1 ILE 62 18.184 3.111 9.863 482 HG21 ILE 62 1HG2 ILE 62 18.200 2.094 7.738 483 HG22 ILE 62 2HG2 ILE 62 16.972 0.830 7.717 484 HG23 ILE 62 3HG2 ILE 62 18.679 0.402 7.600 485 HD11 ILE 62 1HD1 ILE 62 15.969 2.389 8.708 486 HD12 ILE 62 2HD1 ILE 62 15.891 3.652 9.930 487 HD13 ILE 62 3HD1 ILE 62 15.419 2.009 10.337 488 H ASP 63 H ASP 63 15.640 0.935 11.700 489 HA ASP 63 HA ASP 63 17.165 -0.004 14.087 490 HB2 ASP 63 2HB ASP 63 15.137 2.229 13.757 491 HB3 ASP 63 1HB ASP 63 15.863 1.764 15.295 492 H GLY 64 H GLY 64 14.328 -0.460 12.272 493 HA2 GLY 64 2HA GLY 64 13.026 -1.828 14.571 494 HA3 GLY 64 1HA GLY 64 12.144 -1.178 13.203 495 H THR 65 H THR 65 12.481 -3.865 14.427 496 HA THR 65 HA THR 65 13.800 -5.694 12.735 497 HB THR 65 HB THR 65 11.193 -6.297 14.109 498 HG1 THR 65 1HG THR 65 13.120 -4.998 15.233 499 HG21 THR 65 1HG2 THR 65 13.298 -7.838 12.958 500 HG22 THR 65 2HG2 THR 65 11.864 -8.416 13.798 501 HG23 THR 65 3HG2 THR 65 13.341 -8.090 14.700 502 H GLU 66 H GLU 66 12.219 -7.472 11.611 503 HA GLU 66 HA GLU 66 11.088 -6.136 9.287 504 HB2 GLU 66 2HB GLU 66 12.194 -8.459 9.349 505 HB3 GLU 66 1HB GLU 66 10.705 -9.030 10.066 506 HG2 GLU 66 2HG GLU 66 9.462 -8.109 8.131 507 HG3 GLU 66 1HG GLU 66 11.001 -7.690 7.381 508 H ILE 67 H ILE 67 8.890 -5.834 8.847 509 HA ILE 67 HA ILE 67 6.915 -6.968 10.754 510 HB ILE 67 HB ILE 67 7.164 -4.017 10.122 511 HG12 ILE 67 2HG1 ILE 67 7.323 -5.531 12.740 512 HG13 ILE 67 1HG1 ILE 67 8.710 -4.884 11.866 513 HG21 ILE 67 1HG2 ILE 67 5.191 -3.876 11.729 514 HG22 ILE 67 2HG2 ILE 67 5.019 -5.617 11.532 515 HG23 ILE 67 3HG2 ILE 67 4.829 -4.548 10.144 516 HD11 ILE 67 1HD1 ILE 67 7.090 -3.532 13.746 517 HD12 ILE 67 2HD1 ILE 67 6.719 -2.826 12.172 518 HD13 ILE 67 3HD1 ILE 67 8.383 -2.850 12.758 519 H VAL 68 H VAL 68 4.666 -6.739 9.953 520 HA VAL 68 HA VAL 68 4.597 -6.790 6.968 521 HB VAL 68 HB VAL 68 3.742 -8.795 8.224 522 HG11 VAL 68 1HG1 VAL 68 2.095 -8.648 9.810 523 HG12 VAL 68 2HG1 VAL 68 1.300 -7.294 9.008 524 HG13 VAL 68 3HG1 VAL 68 2.737 -7.016 9.992 525 HG21 VAL 68 1HG2 VAL 68 2.825 -8.555 6.057 526 HG22 VAL 68 2HG2 VAL 68 1.896 -7.127 6.514 527 HG23 VAL 68 3HG2 VAL 68 1.408 -8.718 7.094 528 H TRP 69 H TRP 69 3.447 -5.178 5.908 529 HA TRP 69 HA TRP 69 2.096 -3.181 7.677 530 HB2 TRP 69 2HB TRP 69 2.636 -1.504 6.073 531 HB3 TRP 69 1HB TRP 69 4.090 -2.478 6.271 532 HD1 TRP 69 HD TRP 69 1.030 -2.299 3.906 533 HE1 TRP 69 1HE TRP 69 1.774 -3.030 1.565 534 HE3 TRP 69 3HE TRP 69 5.903 -3.469 4.847 535 HZ2 TRP 69 2HZ TRP 69 4.110 -3.921 0.240 536 HZ3 TRP 69 3HZ TRP 69 7.373 -4.234 2.991 537 HH2 TRP 69 HH TRP 69 6.480 -4.463 0.706 538 H GLY 70 H GLY 70 1.215 -5.637 5.550 539 HA2 GLY 70 2HA GLY 70 -1.494 -4.614 5.411 540 HA3 GLY 70 1HA GLY 70 -0.681 -4.479 3.858 541 H ARG 71 H ARG 71 -2.598 -5.960 3.406 542 HA ARG 71 HA ARG 71 -1.647 -8.758 3.448 543 HB2 ARG 71 2HB ARG 71 -3.674 -7.926 5.165 544 HB3 ARG 71 1HB ARG 71 -4.551 -8.563 3.780 545 HG2 ARG 71 2HG ARG 71 -3.174 -10.638 3.900 546 HG3 ARG 71 1HG ARG 71 -2.444 -10.025 5.383 547 HD2 ARG 71 2HD ARG 71 -4.732 -9.859 6.384 548 HD3 ARG 71 1HD ARG 71 -5.386 -10.595 4.923 549 HE ARG 71 HE ARG 71 -3.506 -12.428 5.695 550 HH11 ARG 71 1HH1 ARG 71 -3.903 -14.097 7.170 551 HH12 ARG 71 2HH1 ARG 71 -5.133 -13.897 8.373 552 HH21 ARG 71 1HH2 ARG 71 -6.011 -10.711 7.325 553 HH22 ARG 71 2HH2 ARG 71 -6.326 -11.979 8.461 554 H ILE 72 H ILE 72 -3.465 -9.976 2.013 555 HA ILE 72 HA ILE 72 -4.172 -8.225 -0.280 556 HB ILE 72 HB ILE 72 -2.685 -10.851 -0.369 557 HG12 ILE 72 2HG1 ILE 72 -1.414 -9.428 -2.132 558 HG13 ILE 72 1HG1 ILE 72 -2.245 -8.052 -1.411 559 HG21 ILE 72 1HG2 ILE 72 -4.321 -9.532 -2.544 560 HG22 ILE 72 2HG2 ILE 72 -4.496 -11.170 -1.915 561 HG23 ILE 72 3HG2 ILE 72 -3.077 -10.739 -2.867 562 HD11 ILE 72 1HD1 ILE 72 -1.278 -9.495 0.774 563 HD12 ILE 72 2HD1 ILE 72 -0.602 -8.010 0.131 564 HD13 ILE 72 3HD1 ILE 72 0.027 -9.567 -0.403 565 H LEU 73 H LEU 73 -5.938 -9.347 -1.666 566 HA LEU 73 HA LEU 73 -7.653 -11.018 0.127 567 HB2 LEU 73 2HB LEU 73 -8.292 -8.851 -1.842 568 HB3 LEU 73 1HB LEU 73 -9.490 -10.099 -1.502 569 HG LEU 73 HG LEU 73 -8.109 -8.763 0.797 570 HD11 LEU 73 1HD1 LEU 73 -10.529 -7.604 -0.607 571 HD12 LEU 73 2HD1 LEU 73 -8.899 -6.956 -0.758 572 HD13 LEU 73 3HD1 LEU 73 -9.707 -6.947 0.808 573 HD21 LEU 73 1HD2 LEU 73 -9.581 -10.622 1.293 574 HD22 LEU 73 2HD2 LEU 73 -10.862 -9.937 0.293 575 HD23 LEU 73 3HD2 LEU 73 -10.398 -9.144 1.795 576 H GLU 74 H GLU 74 -6.839 -10.443 -3.280 577 HA GLU 74 HA GLU 74 -6.557 -13.219 -3.922 578 HB2 GLU 74 2HB GLU 74 -9.072 -13.075 -3.597 579 HB3 GLU 74 1HB GLU 74 -9.115 -11.941 -4.948 580 HG2 GLU 74 2HG GLU 74 -9.587 -14.105 -5.865 581 HG3 GLU 74 1HG GLU 74 -7.928 -13.723 -6.325 582 H TRP 75 H TRP 75 -5.913 -13.440 -6.184 583 HA TRP 75 HA TRP 75 -5.231 -10.811 -7.410 584 HB2 TRP 75 2HB TRP 75 -3.407 -11.926 -8.505 585 HB3 TRP 75 1HB TRP 75 -3.389 -12.455 -6.819 586 HD1 TRP 75 HD TRP 75 -4.656 -14.867 -6.335 587 HE1 TRP 75 1HE TRP 75 -4.695 -16.988 -7.800 588 HE3 TRP 75 3HE TRP 75 -3.316 -12.857 -10.834 589 HZ2 TRP 75 2HZ TRP 75 -4.219 -17.733 -10.522 590 HZ3 TRP 75 3HZ TRP 75 -3.115 -14.292 -12.843 591 HH2 TRP 75 HH TRP 75 -3.564 -16.726 -12.693 592 H ASP 76 H ASP 76 -6.420 -10.221 -9.150 593 HA ASP 76 HA ASP 76 -7.809 -12.354 -10.694 594 HB2 ASP 76 2HB ASP 76 -8.774 -9.956 -9.644 595 HB3 ASP 76 1HB ASP 76 -8.565 -9.618 -11.363 596 HA PRO 77 HA PRO 77 -4.738 -12.157 -13.935 597 HB2 PRO 77 2HB PRO 77 -7.244 -11.844 -15.573 598 HB3 PRO 77 1HB PRO 77 -5.803 -12.825 -15.913 599 HG2 PRO 77 2HG PRO 77 -8.027 -13.883 -14.853 600 HG3 PRO 77 1HG PRO 77 -6.408 -14.472 -14.446 601 HD2 PRO 77 2HD PRO 77 -8.322 -13.038 -12.748 602 HD3 PRO 77 1HD PRO 77 -6.839 -13.900 -12.274 603 HA PRO 78 HA PRO 78 -3.544 -8.005 -14.794 604 HB2 PRO 78 2HB PRO 78 -4.051 -8.714 -17.665 605 HB3 PRO 78 1HB PRO 78 -2.659 -7.887 -16.941 606 HG2 PRO 78 2HG PRO 78 -2.696 -10.539 -17.596 607 HG3 PRO 78 1HG PRO 78 -1.646 -9.826 -16.364 608 HD2 PRO 78 2HD PRO 78 -3.819 -11.697 -15.977 609 HD3 PRO 78 1HD PRO 78 -2.731 -11.015 -14.750 610 H HIS 79 H HIS 79 -5.692 -7.379 -13.824 611 HA HIS 79 HA HIS 79 -7.086 -5.548 -15.481 612 HB2 HIS 79 2HB HIS 79 -7.935 -7.991 -16.183 613 HB3 HIS 79 1HB HIS 79 -8.974 -7.743 -14.776 614 HD1 HIS 79 1HD HIS 79 -9.451 -4.723 -14.982 615 HD2 HIS 79 2HD HIS 79 -9.680 -7.295 -18.256 616 HE1 HIS 79 1HE HIS 79 -10.873 -3.547 -16.713 617 HE2 HIS 79 2HE HIS 79 -11.029 -5.108 -18.711 618 H ARG 80 H ARG 80 -7.389 -7.724 -12.619 619 HA ARG 80 HA ARG 80 -8.093 -5.300 -11.079 620 HB2 ARG 80 2HB ARG 80 -10.272 -6.092 -11.826 621 HB3 ARG 80 1HB ARG 80 -9.915 -7.710 -11.214 622 HG2 ARG 80 2HG ARG 80 -9.831 -6.901 -8.940 623 HG3 ARG 80 1HG ARG 80 -9.953 -5.226 -9.482 624 HD2 ARG 80 2HD ARG 80 -12.145 -5.845 -8.776 625 HD3 ARG 80 1HD ARG 80 -12.181 -5.868 -10.536 626 HE ARG 80 HE ARG 80 -11.493 -8.478 -9.604 627 HH11 ARG 80 1HH1 ARG 80 -13.098 -10.070 -9.593 628 HH12 ARG 80 2HH1 ARG 80 -14.764 -9.601 -9.628 629 HH21 ARG 80 1HH2 ARG 80 -14.082 -6.203 -9.692 630 HH22 ARG 80 2HH2 ARG 80 -15.322 -7.412 -9.684 631 H LEU 81 H LEU 81 -7.445 -5.365 -8.981 632 HA LEU 81 HA LEU 81 -6.698 -7.984 -7.803 633 HB2 LEU 81 2HB LEU 81 -4.921 -5.553 -7.986 634 HB3 LEU 81 1HB LEU 81 -4.632 -6.868 -6.849 635 HG LEU 81 HG LEU 81 -5.108 -8.025 -9.409 636 HD11 LEU 81 1HD1 LEU 81 -4.520 -5.798 -10.300 637 HD12 LEU 81 2HD1 LEU 81 -3.312 -7.014 -10.718 638 HD13 LEU 81 3HD1 LEU 81 -2.994 -5.865 -9.419 639 HD21 LEU 81 1HD2 LEU 81 -3.753 -9.101 -7.740 640 HD22 LEU 81 2HD2 LEU 81 -2.673 -7.714 -7.638 641 HD23 LEU 81 3HD2 LEU 81 -2.683 -8.716 -9.087 642 H ALA 82 H ALA 82 -7.552 -8.147 -5.812 643 HA ALA 82 HA ALA 82 -8.391 -5.634 -4.412 644 HB1 ALA 82 1HB ALA 82 -9.982 -7.071 -3.180 645 HB2 ALA 82 2HB ALA 82 -9.375 -8.486 -4.040 646 HB3 ALA 82 3HB ALA 82 -10.234 -7.221 -4.919 647 H MET 83 H MET 83 -7.811 -5.484 -2.087 648 HA MET 83 HA MET 83 -6.073 -7.647 -1.127 649 HB2 MET 83 2HB MET 83 -4.438 -5.596 -0.475 650 HB3 MET 83 1HB MET 83 -4.247 -6.564 -1.937 651 HG2 MET 83 2HG MET 83 -5.588 -4.937 -3.207 652 HG3 MET 83 1HG MET 83 -5.825 -3.980 -1.746 653 HE1 MET 83 1HE MET 83 -3.639 -5.530 -4.220 654 HE2 MET 83 2HE MET 83 -2.300 -5.750 -3.098 655 HE3 MET 83 3HE MET 83 -2.185 -4.535 -4.368 656 H THR 84 H THR 84 -5.911 -7.817 1.105 657 HA THR 84 HA THR 84 -7.549 -5.839 2.651 658 HB THR 84 HB THR 84 -6.754 -8.711 3.198 659 HG1 THR 84 1HG THR 84 -8.992 -8.943 3.296 660 HG21 THR 84 1HG2 THR 84 -8.222 -8.179 5.340 661 HG22 THR 84 2HG2 THR 84 -7.619 -6.544 5.072 662 HG23 THR 84 3HG2 THR 84 -6.485 -7.868 5.340 663 H TRP 85 H TRP 85 -6.564 -5.012 4.677 664 HA TRP 85 HA TRP 85 -3.589 -4.985 4.456 665 HB2 TRP 85 2HB TRP 85 -5.619 -3.074 5.561 666 HB3 TRP 85 1HB TRP 85 -3.959 -3.014 6.154 667 HD1 TRP 85 HD TRP 85 -4.429 -4.043 2.556 668 HE1 TRP 85 1HE TRP 85 -3.622 -2.148 1.009 669 HE3 TRP 85 3HE TRP 85 -3.757 -0.326 5.992 670 HZ2 TRP 85 2HZ TRP 85 -2.799 0.583 1.201 671 HZ3 TRP 85 3HZ TRP 85 -2.961 1.911 5.283 672 HH2 TRP 85 HH TRP 85 -2.481 2.370 2.893 673 H ARG 86 H ARG 86 -2.347 -5.975 5.996 674 HA ARG 86 HA ARG 86 -3.692 -6.749 8.561 675 HB2 ARG 86 2HB ARG 86 -2.958 -8.672 7.151 676 HB3 ARG 86 1HB ARG 86 -1.306 -8.066 7.226 677 HG2 ARG 86 2HG ARG 86 -1.388 -8.242 9.707 678 HG3 ARG 86 1HG ARG 86 -3.011 -8.924 9.583 679 HD2 ARG 86 2HD ARG 86 -2.052 -10.738 8.117 680 HD3 ARG 86 1HD ARG 86 -0.448 -10.108 8.487 681 HE ARG 86 HE ARG 86 -2.100 -10.764 10.831 682 HH11 ARG 86 1HH1 ARG 86 -1.265 -12.419 12.130 683 HH12 ARG 86 2HH1 ARG 86 0.063 -13.368 11.553 684 HH21 ARG 86 1HH2 ARG 86 0.284 -11.701 8.525 685 HH22 ARG 86 2HH2 ARG 86 0.939 -12.961 9.513 686 H ILE 87 H ILE 87 -3.114 -4.988 9.846 687 HA ILE 87 HA ILE 87 -0.251 -4.806 10.551 688 HB ILE 87 HB ILE 87 -0.688 -3.085 8.744 689 HG12 ILE 87 2HG1 ILE 87 -0.074 -1.850 11.439 690 HG13 ILE 87 1HG1 ILE 87 1.054 -2.931 10.621 691 HG21 ILE 87 1HG2 ILE 87 -2.085 -1.390 10.744 692 HG22 ILE 87 2HG2 ILE 87 -3.046 -2.674 10.012 693 HG23 ILE 87 3HG2 ILE 87 -2.281 -1.456 8.992 694 HD11 ILE 87 1HD1 ILE 87 1.554 -1.396 8.989 695 HD12 ILE 87 2HD1 ILE 87 1.083 -0.261 10.252 696 HD13 ILE 87 3HD1 ILE 87 -0.069 -0.708 8.994 697 H ASP 88 H ASP 88 0.054 -3.711 12.642 698 HA ASP 88 HA ASP 88 -2.433 -3.813 14.285 699 HB2 ASP 88 2HB ASP 88 -0.604 -5.300 15.009 700 HB3 ASP 88 1HB ASP 88 0.445 -3.900 15.194 701 H GLY 89 H GLY 89 -2.287 -2.240 16.220 702 HA2 GLY 89 2HA GLY 89 -2.406 0.417 15.225 703 HA3 GLY 89 1HA GLY 89 -2.359 -0.009 16.935 704 H HIS 90 H HIS 90 0.248 -1.262 16.922 705 HA HIS 90 HA HIS 90 1.901 1.203 16.587 706 HB2 HIS 90 2HB HIS 90 1.574 -0.481 18.774 707 HB3 HIS 90 1HB HIS 90 3.129 -0.968 18.105 708 HD1 HIS 90 1HD HIS 90 2.406 0.920 20.741 709 HD2 HIS 90 2HD HIS 90 4.110 2.063 17.107 710 HE1 HIS 90 1HE HIS 90 3.667 3.075 21.186 711 HE2 HIS 90 2HE HIS 90 4.708 3.778 18.982 712 H TRP 91 H TRP 91 1.418 -0.402 14.279 713 HA TRP 91 HA TRP 91 2.592 -1.475 12.555 714 HB2 TRP 91 2HB TRP 91 4.803 -0.077 14.065 715 HB3 TRP 91 1HB TRP 91 5.118 -1.012 12.604 716 HD1 TRP 91 HD TRP 91 3.412 -0.298 10.464 717 HE1 TRP 91 1HE TRP 91 2.827 2.086 9.692 718 HE3 TRP 91 3HE TRP 91 4.536 2.310 14.693 719 HZ2 TRP 91 2HZ TRP 91 2.851 4.746 10.738 720 HZ3 TRP 91 3HZ TRP 91 4.256 4.764 14.787 721 HH2 TRP 91 HH TRP 91 3.409 5.992 12.807 722 H GLN 92 H GLN 92 1.861 -3.192 14.591 723 HA GLN 92 HA GLN 92 4.242 -4.995 14.800 724 HB2 GLN 92 2HB GLN 92 1.886 -4.810 16.707 725 HB3 GLN 92 1HB GLN 92 3.262 -5.901 16.863 726 HG2 GLN 92 2HG GLN 92 4.782 -3.945 17.010 727 HG3 GLN 92 1HG GLN 92 3.382 -2.877 16.906 728 HE21 GLN 92 1HE2 GLN 92 4.951 -2.687 19.205 729 HE22 GLN 92 2HE2 GLN 92 4.124 -3.355 20.527 730 H SER 93 H SER 93 3.720 -7.299 14.633 731 HA SER 93 HA SER 93 1.364 -7.738 12.868 732 HB2 SER 93 2HB SER 93 3.542 -8.427 11.964 733 HB3 SER 93 1HB SER 93 3.820 -9.449 13.373 734 HG SER 93 HG SER 93 1.778 -10.495 12.732 735 H VAL 94 H VAL 94 -0.259 -9.142 13.457 736 HA VAL 94 HA VAL 94 0.077 -10.667 16.005 737 HB VAL 94 HB VAL 94 -2.547 -10.048 16.128 738 HG11 VAL 94 1HG1 VAL 94 -0.875 -9.688 17.907 739 HG12 VAL 94 2HG1 VAL 94 -1.909 -8.270 17.724 740 HG13 VAL 94 3HG1 VAL 94 -0.276 -8.263 17.058 741 HG21 VAL 94 1HG2 VAL 94 -3.080 -7.958 15.241 742 HG22 VAL 94 2HG2 VAL 94 -2.023 -8.601 13.984 743 HG23 VAL 94 3HG2 VAL 94 -1.392 -7.450 15.161 744 HA PRO 95 HA PRO 95 -1.488 -14.198 13.897 745 HB2 PRO 95 2HB PRO 95 -3.569 -14.925 15.668 746 HB3 PRO 95 1HB PRO 95 -1.888 -15.482 15.729 747 HG2 PRO 95 2HG PRO 95 -3.238 -13.382 17.306 748 HG3 PRO 95 1HG PRO 95 -1.883 -14.436 17.743 749 HD2 PRO 95 2HD PRO 95 -1.534 -11.807 17.164 750 HD3 PRO 95 1HD PRO 95 -0.302 -13.032 16.778 751 H ASP 96 H ASP 96 -3.863 -11.845 15.027 752 HA ASP 96 HA ASP 96 -5.246 -12.011 12.444 753 HB2 ASP 96 2HB ASP 96 -6.274 -13.751 14.095 754 HB3 ASP 96 1HB ASP 96 -6.943 -12.328 14.894 755 H ASP 97 H ASP 97 -6.449 -10.104 12.036 756 HA ASP 97 HA ASP 97 -5.952 -7.929 14.007 757 HB2 ASP 97 2HB ASP 97 -6.462 -7.886 11.025 758 HB3 ASP 97 1HB ASP 97 -6.379 -6.439 12.028 759 H ASP 98 H ASP 98 -7.700 -7.383 15.200 760 HA ASP 98 HA ASP 98 -10.398 -8.144 14.427 761 HB2 ASP 98 2HB ASP 98 -9.342 -6.389 16.652 762 HB3 ASP 98 1HB ASP 98 -11.032 -6.856 16.477 763 H ARG 99 H ARG 99 -8.348 -5.384 14.066 764 HA ARG 99 HA ARG 99 -10.609 -3.690 13.160 765 HB2 ARG 99 2HB ARG 99 -8.706 -1.934 13.113 766 HB3 ARG 99 1HB ARG 99 -9.278 -2.478 14.692 767 HG2 ARG 99 2HG ARG 99 -7.425 -4.067 14.847 768 HG3 ARG 99 1HG ARG 99 -6.879 -3.626 13.229 769 HD2 ARG 99 2HD ARG 99 -5.512 -2.416 14.802 770 HD3 ARG 99 1HD ARG 99 -6.614 -1.255 14.065 771 HE ARG 99 HE ARG 99 -7.894 -2.196 16.391 772 HH11 ARG 99 1HH1 ARG 99 -7.753 -1.027 18.320 773 HH12 ARG 99 2HH1 ARG 99 -6.442 0.081 18.552 774 HH21 ARG 99 1HH2 ARG 99 -5.012 -0.550 15.458 775 HH22 ARG 99 2HH2 ARG 99 -4.891 0.350 16.933 776 H ALA 100 H ALA 100 -9.666 -5.899 11.515 777 HA ALA 100 HA ALA 100 -7.987 -4.668 9.439 778 HB1 ALA 100 1HB ALA 100 -8.832 -7.358 10.165 779 HB2 ALA 100 2HB ALA 100 -7.437 -6.844 9.215 780 HB3 ALA 100 3HB ALA 100 -9.002 -7.069 8.433 781 H SER 101 H SER 101 -8.699 -4.002 7.435 782 HA SER 101 HA SER 101 -11.652 -4.059 6.951 783 HB2 SER 101 2HB SER 101 -9.701 -1.842 6.252 784 HB3 SER 101 1HB SER 101 -11.426 -1.844 5.900 785 HG SER 101 HG SER 101 -10.437 -2.211 8.521 786 H GLU 102 H GLU 102 -12.154 -3.829 4.541 787 HA GLU 102 HA GLU 102 -10.089 -5.322 2.975 788 HB2 GLU 102 2HB GLU 102 -13.083 -5.104 2.543 789 HB3 GLU 102 1HB GLU 102 -11.973 -6.044 1.544 790 HG2 GLU 102 2HG GLU 102 -11.326 -7.361 3.558 791 HG3 GLU 102 1HG GLU 102 -12.525 -6.468 4.495 792 H ILE 103 H ILE 103 -9.384 -4.504 1.012 793 HA ILE 103 HA ILE 103 -10.484 -1.832 0.218 794 HB ILE 103 HB ILE 103 -7.631 -2.834 -0.053 795 HG12 ILE 103 2HG1 ILE 103 -8.768 -0.684 1.763 796 HG13 ILE 103 1HG1 ILE 103 -8.365 -2.320 2.294 797 HG21 ILE 103 1HG2 ILE 103 -9.034 -0.830 -1.461 798 HG22 ILE 103 2HG2 ILE 103 -7.290 -1.085 -1.431 799 HG23 ILE 103 3HG2 ILE 103 -8.038 0.022 -0.281 800 HD11 ILE 103 1HD1 ILE 103 -6.458 -0.959 2.804 801 HD12 ILE 103 2HD1 ILE 103 -6.482 -0.215 1.204 802 HD13 ILE 103 3HD1 ILE 103 -6.024 -1.910 1.382 803 H GLU 104 H GLU 104 -10.958 -1.579 -1.952 804 HA GLU 104 HA GLU 104 -10.535 -3.988 -3.676 805 HB2 GLU 104 2HB GLU 104 -12.636 -1.806 -3.885 806 HB3 GLU 104 1HB GLU 104 -12.491 -3.198 -4.960 807 HG2 GLU 104 2HG GLU 104 -12.814 -4.706 -3.011 808 HG3 GLU 104 1HG GLU 104 -13.037 -3.294 -1.978 809 H VAL 105 H VAL 105 -9.031 -3.687 -5.238 810 HA VAL 105 HA VAL 105 -8.651 -0.929 -6.308 811 HB VAL 105 HB VAL 105 -6.487 -2.993 -5.831 812 HG11 VAL 105 1HG1 VAL 105 -4.955 -1.228 -6.483 813 HG12 VAL 105 2HG1 VAL 105 -6.280 -0.069 -6.608 814 HG13 VAL 105 3HG1 VAL 105 -6.163 -1.403 -7.757 815 HG21 VAL 105 1HG2 VAL 105 -5.930 -0.753 -4.302 816 HG22 VAL 105 2HG2 VAL 105 -6.610 -2.259 -3.690 817 HG23 VAL 105 3HG2 VAL 105 -7.676 -0.923 -4.125 818 H ASP 106 H ASP 106 -8.576 -0.808 -8.547 819 HA ASP 106 HA ASP 106 -8.675 -3.423 -10.000 820 HB2 ASP 106 2HB ASP 106 -9.957 -0.774 -10.725 821 HB3 ASP 106 1HB ASP 106 -10.010 -2.232 -11.721 822 H PHE 107 H PHE 107 -7.103 -3.745 -11.514 823 HA PHE 107 HA PHE 107 -5.409 -1.400 -12.263 824 HB2 PHE 107 2HB PHE 107 -4.756 -4.352 -12.056 825 HB3 PHE 107 1HB PHE 107 -3.666 -3.148 -12.732 826 HD1 PHE 107 1HD PHE 107 -5.674 -3.869 -9.660 827 HD2 PHE 107 2HD PHE 107 -2.197 -1.982 -11.330 828 HE1 PHE 107 1HE PHE 107 -4.863 -3.348 -7.378 829 HE2 PHE 107 2HE PHE 107 -1.387 -1.450 -9.047 830 HZ PHE 107 HZ PHE 107 -2.716 -2.136 -7.067 831 H VAL 108 H VAL 108 -5.551 -0.828 -14.384 832 HA VAL 108 HA VAL 108 -6.433 -2.903 -16.344 833 HB VAL 108 HB VAL 108 -7.037 -0.041 -16.873 834 HG11 VAL 108 1HG1 VAL 108 -7.607 -1.790 -18.497 835 HG12 VAL 108 2HG1 VAL 108 -9.077 -1.073 -17.836 836 HG13 VAL 108 3HG1 VAL 108 -8.531 -2.650 -17.266 837 HG21 VAL 108 1HG2 VAL 108 -8.327 -1.722 -14.726 838 HG22 VAL 108 2HG2 VAL 108 -9.247 -0.479 -15.574 839 HG23 VAL 108 3HG2 VAL 108 -7.816 -0.035 -14.643 840 HA PRO 109 HA PRO 109 -2.514 -1.508 -18.115 841 HB2 PRO 109 2HB PRO 109 -2.400 -3.219 -20.212 842 HB3 PRO 109 1HB PRO 109 -2.084 -3.740 -18.546 843 HG2 PRO 109 2HG PRO 109 -4.526 -4.078 -20.200 844 HG3 PRO 109 1HG PRO 109 -3.768 -5.202 -19.063 845 HD2 PRO 109 2HD PRO 109 -5.976 -3.660 -18.451 846 HD3 PRO 109 1HD PRO 109 -4.833 -4.283 -17.239 847 H ASN 110 H ASN 110 -2.380 0.328 -19.282 848 HA ASN 110 HA ASN 110 -4.110 0.602 -21.686 849 HB2 ASN 110 2HB ASN 110 -4.650 2.199 -19.845 850 HB3 ASN 110 1HB ASN 110 -3.005 2.822 -19.963 851 HD21 ASN 110 1HD2 ASN 110 -5.931 2.299 -21.998 852 HD22 ASN 110 2HD2 ASN 110 -5.645 3.630 -23.011 853 H GLY 111 H GLY 111 -3.011 0.676 -23.572 854 HA2 GLY 111 2HA GLY 111 -1.180 0.784 -25.039 855 HA3 GLY 111 1HA GLY 111 -0.720 2.206 -24.102 856 H SER 112 H SER 112 1.325 0.745 -25.066 857 HA SER 112 HA SER 112 2.232 -1.424 -23.464 858 HB2 SER 112 2HB SER 112 3.933 0.668 -24.828 859 HB3 SER 112 1HB SER 112 4.439 -0.950 -24.362 860 HG SER 112 HG SER 112 2.764 -0.101 -26.437 861 H GLY 113 H GLY 113 2.321 2.059 -22.981 862 HA2 GLY 113 2HA GLY 113 3.528 1.560 -20.289 863 HA3 GLY 113 1HA GLY 113 4.041 2.925 -21.280 864 H GLY 114 H GLY 114 0.785 1.615 -20.456 865 HA2 GLY 114 2HA GLY 114 0.182 4.240 -19.189 866 HA3 GLY 114 1HA GLY 114 -0.915 3.615 -20.417 867 H THR 115 H THR 115 -0.885 3.949 -17.243 868 HA THR 115 HA THR 115 -2.237 1.325 -16.799 869 HB THR 115 HB THR 115 -1.089 2.225 -14.340 870 HG1 THR 115 1HG THR 115 0.357 3.251 -15.946 871 HG21 THR 115 1HG2 THR 115 -1.424 -0.063 -14.458 872 HG22 THR 115 2HG2 THR 115 0.305 0.031 -14.789 873 HG23 THR 115 3HG2 THR 115 -0.829 -0.183 -16.115 874 H ARG 116 H ARG 116 -4.260 1.620 -16.101 875 HA ARG 116 HA ARG 116 -4.930 4.181 -14.705 876 HB2 ARG 116 2HB ARG 116 -6.178 3.802 -16.813 877 HB3 ARG 116 1HB ARG 116 -6.770 2.268 -16.164 878 HG2 ARG 116 2HG ARG 116 -7.959 3.369 -14.401 879 HG3 ARG 116 1HG ARG 116 -7.173 4.910 -14.748 880 HD2 ARG 116 2HD ARG 116 -8.261 5.009 -16.923 881 HD3 ARG 116 1HD ARG 116 -9.011 3.437 -16.646 882 HE ARG 116 HE ARG 116 -9.700 5.229 -14.509 883 HH11 ARG 116 1HH1 ARG 116 -11.793 6.076 -14.493 884 HH12 ARG 116 2HH1 ARG 116 -12.728 6.067 -15.952 885 HH21 ARG 116 1HH2 ARG 116 -10.247 4.556 -17.846 886 HH22 ARG 116 2HH2 ARG 116 -11.852 5.207 -17.851 887 H VAL 117 H VAL 117 -5.139 3.864 -12.519 888 HA VAL 117 HA VAL 117 -6.096 1.176 -11.621 889 HB VAL 117 HB VAL 117 -4.109 3.002 -10.254 890 HG11 VAL 117 1HG1 VAL 117 -5.474 1.800 -8.630 891 HG12 VAL 117 2HG1 VAL 117 -3.879 1.050 -8.695 892 HG13 VAL 117 3HG1 VAL 117 -5.245 0.288 -9.509 893 HG21 VAL 117 1HG2 VAL 117 -2.910 0.560 -10.700 894 HG22 VAL 117 2HG2 VAL 117 -2.696 1.983 -11.721 895 HG23 VAL 117 3HG2 VAL 117 -3.889 0.758 -12.154 896 H GLU 118 H GLU 118 -7.725 1.127 -10.174 897 HA GLU 118 HA GLU 118 -8.691 3.756 -9.114 898 HB2 GLU 118 2HB GLU 118 -10.303 1.256 -9.736 899 HB3 GLU 118 1HB GLU 118 -10.953 2.774 -9.120 900 HG2 GLU 118 2HG GLU 118 -10.148 3.932 -11.157 901 HG3 GLU 118 1HG GLU 118 -9.550 2.394 -11.781 902 H LEU 119 H LEU 119 -7.907 3.766 -7.022 903 HA LEU 119 HA LEU 119 -8.038 1.230 -5.474 904 HB2 LEU 119 2HB LEU 119 -5.869 2.510 -5.619 905 HB3 LEU 119 1HB LEU 119 -6.652 3.818 -4.739 906 HG LEU 119 HG LEU 119 -6.934 1.148 -3.495 907 HD11 LEU 119 1HD1 LEU 119 -4.590 1.091 -4.384 908 HD12 LEU 119 2HD1 LEU 119 -4.660 1.101 -2.621 909 HD13 LEU 119 3HD1 LEU 119 -4.259 2.578 -3.495 910 HD21 LEU 119 1HD2 LEU 119 -5.944 3.789 -2.383 911 HD22 LEU 119 2HD2 LEU 119 -6.621 2.433 -1.481 912 HD23 LEU 119 3HD2 LEU 119 -7.655 3.391 -2.539 913 H ALA 120 H ALA 120 -9.589 0.999 -3.938 914 HA ALA 120 HA ALA 120 -10.836 3.475 -2.825 915 HB1 ALA 120 1HB ALA 120 -12.510 1.030 -3.249 916 HB2 ALA 120 2HB ALA 120 -12.170 2.062 -4.638 917 HB3 ALA 120 3HB ALA 120 -12.992 2.727 -3.227 918 H HIS 121 H HIS 121 -10.367 3.454 -0.687 919 HA HIS 121 HA HIS 121 -10.225 0.823 0.716 920 HB2 HIS 121 2HB HIS 121 -8.633 1.724 2.098 921 HB3 HIS 121 1HB HIS 121 -8.406 2.843 0.756 922 HD1 HIS 121 1HD HIS 121 -8.801 2.934 4.255 923 HD2 HIS 121 2HD HIS 121 -10.504 5.135 1.151 924 HE1 HIS 121 1HE HIS 121 -9.661 5.085 5.288 925 HE2 HIS 121 2HE HIS 121 -10.698 6.428 3.406 926 H VAL 122 H VAL 122 -11.781 0.366 2.279 927 HA VAL 122 HA VAL 122 -13.585 2.613 3.057 928 HB VAL 122 HB VAL 122 -15.523 1.092 2.766 929 HG11 VAL 122 1HG1 VAL 122 -15.741 1.627 0.540 930 HG12 VAL 122 2HG1 VAL 122 -14.136 1.020 0.128 931 HG13 VAL 122 3HG1 VAL 122 -14.312 2.598 0.899 932 HG21 VAL 122 1HG2 VAL 122 -13.507 -0.868 2.646 933 HG22 VAL 122 2HG2 VAL 122 -14.165 -0.790 1.013 934 HG23 VAL 122 3HG2 VAL 122 -15.233 -1.116 2.377 935 H LYS 123 H LYS 123 -14.694 2.370 5.000 936 HA LYS 123 HA LYS 123 -14.857 1.821 7.264 937 HB2 LYS 123 2HB LYS 123 -14.318 -1.028 6.470 938 HB3 LYS 123 1HB LYS 123 -15.459 -0.403 7.663 939 HG2 LYS 123 2HG LYS 123 -15.679 -0.190 4.648 940 HG3 LYS 123 1HG LYS 123 -16.727 -1.107 5.724 941 HD2 LYS 123 2HD LYS 123 -17.433 1.019 6.811 942 HD3 LYS 123 1HD LYS 123 -16.441 1.917 5.664 943 HE2 LYS 123 2HE LYS 123 -18.168 1.912 4.237 944 HE3 LYS 123 1HE LYS 123 -17.991 0.162 4.103 945 HZ1 LYS 123 1HZ LYS 123 -19.552 1.513 6.234 946 HZ2 LYS 123 2HZ LYS 123 -19.488 -0.154 5.913 947 HZ3 LYS 123 3HZ LYS 123 -20.234 0.899 4.808 948 H LEU 124 H LEU 124 -12.173 2.448 6.238 949 HA LEU 124 HA LEU 124 -10.285 0.652 7.507 950 HB2 LEU 124 2HB LEU 124 -10.009 2.592 5.674 951 HB3 LEU 124 1HB LEU 124 -9.605 3.515 7.120 952 HG LEU 124 HG LEU 124 -7.984 1.695 7.745 953 HD11 LEU 124 1HD1 LEU 124 -8.095 -0.244 6.599 954 HD12 LEU 124 2HD1 LEU 124 -7.531 0.612 5.165 955 HD13 LEU 124 3HD1 LEU 124 -9.259 0.452 5.472 956 HD21 LEU 124 1HD2 LEU 124 -7.808 3.658 5.605 957 HD22 LEU 124 2HD2 LEU 124 -6.686 2.322 5.348 958 HD23 LEU 124 3HD2 LEU 124 -6.621 3.253 6.844 959 H HIS 125 H HIS 125 -12.048 3.556 8.411 960 HA HIS 125 HA HIS 125 -10.801 4.422 10.719 961 HB2 HIS 125 2HB HIS 125 -12.803 5.519 9.938 962 HB3 HIS 125 1HB HIS 125 -13.760 4.071 10.242 963 HD1 HIS 125 1HD HIS 125 -11.147 5.423 12.613 964 HD2 HIS 125 2HD HIS 125 -15.298 5.090 12.372 965 HE1 HIS 125 1HE HIS 125 -12.053 6.087 14.884 966 HE2 HIS 125 2HE HIS 125 -14.578 5.893 14.747 967 H ARG 126 H ARG 126 -12.006 1.310 10.188 968 HA ARG 126 HA ARG 126 -12.893 0.469 12.712 969 HB2 ARG 126 2HB ARG 126 -11.227 -0.916 10.617 970 HB3 ARG 126 1HB ARG 126 -11.760 -1.749 12.074 971 HG2 ARG 126 2HG ARG 126 -13.631 -0.311 10.173 972 HG3 ARG 126 1HG ARG 126 -13.298 -2.041 10.097 973 HD2 ARG 126 2HD ARG 126 -13.881 -1.579 12.781 974 HD3 ARG 126 1HD ARG 126 -15.034 -0.566 11.916 975 HE ARG 126 HE ARG 126 -16.102 -2.526 11.147 976 HH11 ARG 126 1HH1 ARG 126 -16.338 -4.771 11.033 977 HH12 ARG 126 2HH1 ARG 126 -15.028 -5.792 11.527 978 HH21 ARG 126 1HH2 ARG 126 -12.939 -3.155 12.365 979 HH22 ARG 126 2HH2 ARG 126 -13.104 -4.877 12.282 980 H HIS 127 H HIS 127 -9.623 1.145 11.589 981 HA HIS 127 HA HIS 127 -8.429 0.118 14.050 982 HB2 HIS 127 2HB HIS 127 -6.330 1.224 13.107 983 HB3 HIS 127 1HB HIS 127 -7.022 -0.076 12.150 984 HD1 HIS 127 1HD HIS 127 -9.157 2.800 11.763 985 HD2 HIS 127 2HD HIS 127 -5.541 1.591 10.084 986 HE1 HIS 127 1HE HIS 127 -8.855 4.148 9.633 987 HE2 HIS 127 2HE HIS 127 -6.665 3.410 8.605 988 H GLY 128 H GLY 128 -9.362 3.287 12.811 989 HA2 GLY 128 2HA GLY 128 -9.009 5.438 13.797 990 HA3 GLY 128 1HA GLY 128 -9.947 4.641 15.061 991 H ASP 129 H ASP 129 -8.868 5.790 16.743 992 HA ASP 129 HA ASP 129 -7.159 6.199 18.301 993 HB2 ASP 129 2HB ASP 129 -6.444 3.397 17.395 994 HB3 ASP 129 1HB ASP 129 -5.754 4.192 18.811 995 H GLY 130 H GLY 130 -6.563 7.466 15.923 996 HA2 GLY 130 2HA GLY 130 -4.655 8.535 15.014 997 HA3 GLY 130 1HA GLY 130 -3.643 7.496 16.024 998 H ALA 131 H ALA 131 -6.117 6.432 13.745 999 HA ALA 131 HA ALA 131 -4.608 4.358 12.599 1000 HB1 ALA 131 1HB ALA 131 -6.984 5.964 11.749 1001 HB2 ALA 131 2HB ALA 131 -6.854 4.237 12.068 1002 HB3 ALA 131 3HB ALA 131 -6.215 4.907 10.569 1003 H TRP 132 H TRP 132 -5.006 7.740 11.473 1004 HA TRP 132 HA TRP 132 -3.473 7.483 9.107 1005 HB2 TRP 132 2HB TRP 132 -4.802 9.520 9.754 1006 HB3 TRP 132 1HB TRP 132 -3.517 9.931 10.895 1007 HD1 TRP 132 HD TRP 132 -1.119 10.546 9.869 1008 HE1 TRP 132 1HE TRP 132 -0.440 11.425 7.543 1009 HE3 TRP 132 3HE TRP 132 -5.377 9.481 7.233 1010 HZ2 TRP 132 2HZ TRP 132 -1.547 11.647 4.922 1011 HZ3 TRP 132 3HZ TRP 132 -5.527 10.042 4.827 1012 HH2 TRP 132 HH TRP 132 -3.622 11.123 3.668 1013 H ASN 133 H ASN 133 -2.489 7.776 12.473 1014 HA ASN 133 HA ASN 133 0.245 8.443 12.109 1015 HB2 ASN 133 2HB ASN 133 -1.053 8.071 14.315 1016 HB3 ASN 133 1HB ASN 133 -0.706 6.357 14.085 1017 HD21 ASN 133 1HD2 ASN 133 0.434 7.453 16.328 1018 HD22 ASN 133 2HD2 ASN 133 2.099 7.702 16.106 1019 H ILE 134 H ILE 134 -1.435 5.324 11.971 1020 HA ILE 134 HA ILE 134 0.827 3.684 11.426 1021 HB ILE 134 HB ILE 134 -2.021 3.409 10.432 1022 HG12 ILE 134 2HG1 ILE 134 -0.683 2.234 12.890 1023 HG13 ILE 134 1HG1 ILE 134 -1.779 3.620 12.917 1024 HG21 ILE 134 1HG2 ILE 134 -1.298 1.553 9.402 1025 HG22 ILE 134 2HG2 ILE 134 -0.730 0.929 10.950 1026 HG23 ILE 134 3HG2 ILE 134 0.347 1.890 9.938 1027 HD11 ILE 134 1HD1 ILE 134 -2.431 0.813 12.857 1028 HD12 ILE 134 2HD1 ILE 134 -3.081 1.600 11.418 1029 HD13 ILE 134 3HD1 ILE 134 -3.515 2.194 13.020 1030 H HIS 135 H HIS 135 -1.387 5.514 9.356 1031 HA HIS 135 HA HIS 135 -0.211 4.817 6.841 1032 HB2 HIS 135 2HB HIS 135 -2.413 5.879 6.932 1033 HB3 HIS 135 1HB HIS 135 -1.715 7.314 7.683 1034 HD1 HIS 135 1HD HIS 135 0.620 6.100 5.275 1035 HD2 HIS 135 2HD HIS 135 -2.815 8.450 5.102 1036 HE1 HIS 135 1HE HIS 135 0.712 7.296 3.053 1037 HE2 HIS 135 2HE HIS 135 -1.390 8.735 2.923 1038 H LYS 136 H LYS 136 0.555 7.228 9.291 1039 HA LYS 136 HA LYS 136 2.270 8.899 7.824 1040 HB2 LYS 136 2HB LYS 136 1.612 9.154 10.268 1041 HB3 LYS 136 1HB LYS 136 2.847 7.958 10.632 1042 HG2 LYS 136 2HG LYS 136 4.540 9.371 9.564 1043 HG3 LYS 136 1HG LYS 136 3.312 10.578 9.212 1044 HD2 LYS 136 2HD LYS 136 2.851 10.763 11.660 1045 HD3 LYS 136 1HD LYS 136 4.188 9.652 11.962 1046 HE2 LYS 136 2HE LYS 136 5.547 11.355 10.476 1047 HE3 LYS 136 1HE LYS 136 4.264 12.473 10.941 1048 HZ1 LYS 136 1HZ LYS 136 5.427 12.770 12.797 1049 HZ2 LYS 136 2HZ LYS 136 6.423 11.425 12.502 1050 HZ3 LYS 136 3HZ LYS 136 4.918 11.221 13.266 1051 H ALA 137 H ALA 137 2.811 5.652 9.109 1052 HA ALA 137 HA ALA 137 5.653 5.602 8.529 1053 HB1 ALA 137 1HB ALA 137 3.565 3.506 9.004 1054 HB2 ALA 137 2HB ALA 137 5.042 3.830 9.916 1055 HB3 ALA 137 3HB ALA 137 5.127 3.027 8.350 1056 H LEU 138 H LEU 138 2.740 4.576 6.752 1057 HA LEU 138 HA LEU 138 4.174 3.714 4.404 1058 HB2 LEU 138 2HB LEU 138 1.331 4.758 4.611 1059 HB3 LEU 138 1HB LEU 138 1.997 3.820 3.280 1060 HG LEU 138 HG LEU 138 1.695 2.884 6.147 1061 HD11 LEU 138 1HD1 LEU 138 0.197 1.175 4.950 1062 HD12 LEU 138 2HD1 LEU 138 0.244 2.270 3.567 1063 HD13 LEU 138 3HD1 LEU 138 -0.441 2.813 5.099 1064 HD21 LEU 138 1HD2 LEU 138 3.098 1.772 3.741 1065 HD22 LEU 138 2HD2 LEU 138 2.312 0.653 4.855 1066 HD23 LEU 138 3HD2 LEU 138 3.584 1.727 5.435 1067 H ASP 139 H ASP 139 3.012 6.772 5.631 1068 HA ASP 139 HA ASP 139 3.519 8.960 4.979 1069 HB2 ASP 139 2HB ASP 139 5.713 7.384 4.181 1070 HB3 ASP 139 1HB ASP 139 5.362 8.453 2.825 1071 H GLY 140 H GLY 140 1.643 9.636 3.993 1072 HA2 GLY 140 2HA GLY 140 1.523 9.291 1.023 1073 HA3 GLY 140 1HA GLY 140 0.067 9.230 2.017 1074 HA PRO 141 HA PRO 141 2.018 13.786 2.201 1075 HB2 PRO 141 2HB PRO 141 3.065 13.765 -0.583 1076 HB3 PRO 141 1HB PRO 141 3.754 14.495 0.879 1077 HG2 PRO 141 2HG PRO 141 4.759 12.268 -0.198 1078 HG3 PRO 141 1HG PRO 141 4.741 12.546 1.551 1079 HD2 PRO 141 2HD PRO 141 3.024 10.729 -0.084 1080 HD3 PRO 141 1HD PRO 141 3.587 10.550 1.592 1081 H SER 142 H SER 142 0.681 15.492 1.596 1082 HA SER 142 HA SER 142 -1.691 14.916 0.100 1083 HB2 SER 142 2HB SER 142 -0.536 17.233 1.496 1084 HB3 SER 142 1HB SER 142 -1.561 17.659 0.128 1085 HG SER 142 HG SER 142 -2.183 16.129 2.423 1086 HA PRO 143 HA PRO 143 0.110 17.784 -3.395 1087 HB2 PRO 143 2HB PRO 143 2.885 18.094 -3.228 1088 HB3 PRO 143 1HB PRO 143 1.681 19.313 -2.767 1089 HG2 PRO 143 2HG PRO 143 3.213 17.425 -1.065 1090 HG3 PRO 143 1HG PRO 143 2.695 19.087 -0.734 1091 HD2 PRO 143 2HD PRO 143 1.437 16.965 0.365 1092 HD3 PRO 143 1HD PRO 143 0.558 18.440 -0.091 1093 H GLY 144 H GLY 144 2.161 15.238 -2.045 1094 HA2 GLY 144 2HA GLY 144 2.468 14.106 -4.789 1095 HA3 GLY 144 1HA GLY 144 3.638 13.853 -3.491 1096 H GLU 145 H GLU 145 1.112 12.405 -5.082 1097 HA GLU 145 HA GLU 145 0.089 10.968 -2.714 1098 HB2 GLU 145 2HB GLU 145 -0.671 10.758 -5.631 1099 HB3 GLU 145 1HB GLU 145 -1.485 9.929 -4.307 1100 HG2 GLU 145 2HG GLU 145 -1.939 12.175 -3.272 1101 HG3 GLU 145 1HG GLU 145 -1.278 12.923 -4.725 1102 H THR 146 H THR 146 -0.103 8.513 -2.986 1103 HA THR 146 HA THR 146 2.471 7.362 -3.172 1104 HB THR 146 HB THR 146 -0.236 6.062 -3.477 1105 HG1 THR 146 1HG THR 146 -0.102 6.911 -1.483 1106 HG21 THR 146 1HG2 THR 146 1.417 4.582 -4.381 1107 HG22 THR 146 2HG2 THR 146 1.027 4.003 -2.760 1108 HG23 THR 146 3HG2 THR 146 2.518 4.903 -3.039 1109 H LEU 147 H LEU 147 -0.088 7.634 -5.601 1110 HA LEU 147 HA LEU 147 1.227 6.010 -7.565 1111 HB2 LEU 147 2HB LEU 147 -0.762 8.262 -7.979 1112 HB3 LEU 147 1HB LEU 147 -0.332 7.021 -9.150 1113 HG LEU 147 HG LEU 147 -0.979 5.399 -7.122 1114 HD11 LEU 147 1HD1 LEU 147 -2.242 6.295 -5.486 1115 HD12 LEU 147 2HD1 LEU 147 -3.260 7.144 -6.646 1116 HD13 LEU 147 3HD1 LEU 147 -1.767 7.883 -6.078 1117 HD21 LEU 147 1HD2 LEU 147 -3.452 5.696 -8.137 1118 HD22 LEU 147 2HD2 LEU 147 -2.140 4.958 -9.059 1119 HD23 LEU 147 3HD2 LEU 147 -2.558 6.647 -9.322 1120 H ALA 148 H ALA 148 1.420 9.414 -6.702 1121 HA ALA 148 HA ALA 148 2.774 10.343 -9.036 1122 HB1 ALA 148 1HB ALA 148 2.466 12.293 -7.980 1123 HB2 ALA 148 2HB ALA 148 3.629 11.819 -6.740 1124 HB3 ALA 148 3HB ALA 148 1.921 11.417 -6.549 1125 H ARG 149 H ARG 149 4.120 9.172 -5.932 1126 HA ARG 149 HA ARG 149 6.826 9.779 -6.734 1127 HB2 ARG 149 2HB ARG 149 7.258 8.030 -4.775 1128 HB3 ARG 149 1HB ARG 149 6.701 9.670 -4.443 1129 HG2 ARG 149 2HG ARG 149 4.512 8.992 -4.030 1130 HG3 ARG 149 1HG ARG 149 4.688 7.523 -4.983 1131 HD2 ARG 149 2HD ARG 149 4.641 6.868 -2.668 1132 HD3 ARG 149 1HD ARG 149 6.297 6.676 -3.235 1133 HE ARG 149 HE ARG 149 6.337 9.210 -2.204 1134 HH11 ARG 149 1HH1 ARG 149 6.715 9.691 -0.028 1135 HH12 ARG 149 2HH1 ARG 149 6.319 8.519 1.185 1136 HH21 ARG 149 1HH2 ARG 149 5.148 6.174 -1.085 1137 HH22 ARG 149 2HH2 ARG 149 5.432 6.528 0.587 1138 H PHE 150 H PHE 150 5.144 6.606 -6.419 1139 HA PHE 150 HA PHE 150 7.368 5.149 -7.504 1140 HB2 PHE 150 2HB PHE 150 6.116 3.315 -7.063 1141 HB3 PHE 150 1HB PHE 150 5.026 4.451 -6.265 1142 HD1 PHE 150 1HD PHE 150 5.174 1.867 -8.595 1143 HD2 PHE 150 2HD PHE 150 3.416 5.736 -8.015 1144 HE1 PHE 150 1HE PHE 150 3.396 1.300 -10.226 1145 HE2 PHE 150 2HE PHE 150 1.635 5.173 -9.648 1146 HZ PHE 150 HZ PHE 150 1.631 2.955 -10.749 1147 H ALA 151 H ALA 151 4.570 6.676 -9.017 1148 HA ALA 151 HA ALA 151 4.847 5.447 -11.586 1149 HB1 ALA 151 1HB ALA 151 3.778 8.175 -10.825 1150 HB2 ALA 151 2HB ALA 151 2.836 6.688 -10.969 1151 HB3 ALA 151 3HB ALA 151 3.562 7.416 -12.402 1152 H ASN 152 H ASN 152 6.183 8.449 -10.248 1153 HA ASN 152 HA ASN 152 7.478 9.327 -12.627 1154 HB2 ASN 152 2HB ASN 152 8.251 11.015 -11.329 1155 HB3 ASN 152 1HB ASN 152 7.232 10.313 -10.071 1156 HD21 ASN 152 1HD2 ASN 152 8.262 9.030 -8.414 1157 HD22 ASN 152 2HD2 ASN 152 9.946 9.011 -8.212 1158 H VAL 153 H VAL 153 8.581 7.148 -10.045 1159 HA VAL 153 HA VAL 153 11.262 6.849 -11.036 1160 HB VAL 153 HB VAL 153 9.651 4.739 -9.596 1161 HG11 VAL 153 1HG1 VAL 153 12.311 4.864 -10.550 1162 HG12 VAL 153 2HG1 VAL 153 11.597 3.626 -9.516 1163 HG13 VAL 153 3HG1 VAL 153 12.396 5.025 -8.795 1164 HG21 VAL 153 1HG2 VAL 153 10.577 7.378 -8.715 1165 HG22 VAL 153 2HG2 VAL 153 11.133 6.060 -7.684 1166 HG23 VAL 153 3HG2 VAL 153 9.408 6.290 -7.970 1167 H ILE 154 H ILE 154 8.233 5.160 -11.652 1168 HA ILE 154 HA ILE 154 9.403 3.238 -13.479 1169 HB ILE 154 HB ILE 154 6.543 4.071 -12.978 1170 HG12 ILE 154 2HG1 ILE 154 8.073 1.641 -12.040 1171 HG13 ILE 154 1HG1 ILE 154 7.803 3.070 -11.051 1172 HG21 ILE 154 1HG2 ILE 154 7.819 2.107 -14.806 1173 HG22 ILE 154 2HG2 ILE 154 6.310 2.999 -14.992 1174 HG23 ILE 154 3HG2 ILE 154 6.370 1.576 -13.954 1175 HD11 ILE 154 1HD1 ILE 154 5.401 2.787 -11.188 1176 HD12 ILE 154 2HD1 ILE 154 6.115 1.273 -10.632 1177 HD13 ILE 154 3HD1 ILE 154 5.583 1.439 -12.305 1178 HBB 96F 201 HBB SUM 155 -2.860 12.212 -1.337 1179 HBC 96F 201 HBC SUM 155 -1.112 11.881 -1.286 1180 HBA 96F 201 HBA SUM 155 -1.937 12.535 0.150 1181 HA2 96F 201 2HA SUM 155 -2.862 10.487 0.722 1182 HA1 96F 201 1HA SUM 155 -1.377 9.922 -0.075 1183 HAY 96F 201 HAY SUM 155 -4.779 9.888 0.147 1184 HAZ 96F 201 HAZ SUM 155 -5.207 9.042 -1.360 1185 HA0 96F 201 0HA SUM 155 -5.009 10.809 -1.360 1186 HBE 96F 201 HBE SUM 155 -3.758 10.535 -2.987 1187 H1 96F 201 HAV SUM 155 -3.871 7.920 -3.204 1188 HAS 96F 201 HAS SUM 155 -6.253 5.839 -4.914 1189 HAT 96F 201 HAT SUM 155 -5.205 7.094 -4.211 1190 HAU 96F 201 HAU SUM 155 -5.872 5.812 -3.175 1191 HAK 96F 201 HAK SUM 155 -5.007 4.725 -6.407 1192 HAF 96F 201 HAF SUM 155 -2.312 2.247 -9.531 1193 HAE 96F 201 HAE SUM 155 -0.221 1.037 -10.076 1194 HAD 96F 201 HAD SUM 155 1.554 0.787 -8.355 1195 HAR 96F 201 HAR SUM 155 1.445 2.624 -5.382 1196 HAQ 96F 201 HAQ SUM 155 -1.361 4.499 -2.020 Start of MODEL 9 1 H MET 1 1HT MET 1 -4.158 14.877 5.091 2 HA MET 1 HA MET 1 -3.729 12.943 6.057 3 HB2 MET 1 2HB MET 1 -1.677 14.473 7.686 4 HB3 MET 1 1HB MET 1 -1.831 12.716 7.648 5 HG2 MET 1 2HG MET 1 -0.338 12.834 5.938 6 HG3 MET 1 1HG MET 1 -1.735 13.312 4.974 7 HE1 MET 1 1HE MET 1 1.000 14.593 7.410 8 HE2 MET 1 2HE MET 1 1.808 15.765 6.373 9 HE3 MET 1 3HE MET 1 1.726 14.076 5.882 10 HA PRO 2 HA PRO 2 -6.473 14.553 9.521 11 HB2 PRO 2 2HB PRO 2 -8.339 12.580 8.366 12 HB3 PRO 2 1HB PRO 2 -8.608 14.288 8.762 13 HG2 PRO 2 2HG PRO 2 -8.416 13.391 6.231 14 HG3 PRO 2 1HG PRO 2 -7.898 15.013 6.722 15 HD2 PRO 2 2HD PRO 2 -6.231 12.611 6.092 16 HD3 PRO 2 1HD PRO 2 -5.878 14.335 5.828 17 H GLU 3 H GLU 3 -6.859 13.448 11.469 18 HA GLU 3 HA GLU 3 -5.383 11.053 11.969 19 HB2 GLU 3 2HB GLU 3 -7.608 12.369 13.554 20 HB3 GLU 3 1HB GLU 3 -6.584 11.070 14.157 21 HG2 GLU 3 2HG GLU 3 -4.583 12.489 13.767 22 HG3 GLU 3 1HG GLU 3 -5.639 13.798 13.237 23 H GLU 4 H GLU 4 -8.717 11.661 11.055 24 HA GLU 4 HA GLU 4 -9.413 8.804 11.425 25 HB2 GLU 4 2HB GLU 4 -11.000 10.617 12.120 26 HB3 GLU 4 1HB GLU 4 -11.137 11.069 10.422 27 HG2 GLU 4 2HG GLU 4 -11.894 8.755 9.894 28 HG3 GLU 4 1HG GLU 4 -11.849 8.377 11.619 29 H ILE 5 H ILE 5 -9.891 7.441 9.690 30 HA ILE 5 HA ILE 5 -9.265 8.532 6.979 31 HB ILE 5 HB ILE 5 -8.985 5.637 7.335 32 HG12 ILE 5 2HG1 ILE 5 -8.221 6.414 9.563 33 HG13 ILE 5 1HG1 ILE 5 -6.919 5.727 8.604 34 HG21 ILE 5 1HG2 ILE 5 -8.249 6.787 5.333 35 HG22 ILE 5 2HG2 ILE 5 -6.851 6.117 6.175 36 HG23 ILE 5 3HG2 ILE 5 -7.208 7.837 6.292 37 HD11 ILE 5 1HD1 ILE 5 -5.806 7.675 8.535 38 HD12 ILE 5 2HD1 ILE 5 -6.891 8.217 9.814 39 HD13 ILE 5 3HD1 ILE 5 -7.263 8.580 8.130 40 HA PRO 6 HA PRO 6 -13.558 6.915 6.745 41 HB2 PRO 6 2HB PRO 6 -14.524 8.870 5.093 42 HB3 PRO 6 1HB PRO 6 -14.447 9.035 6.858 43 HG2 PRO 6 2HG PRO 6 -12.742 10.239 4.775 44 HG3 PRO 6 1HG PRO 6 -13.160 10.840 6.385 45 HD2 PRO 6 2HD PRO 6 -10.732 9.618 5.657 46 HD3 PRO 6 1HD PRO 6 -11.296 9.910 7.315 47 H ASP 7 H ASP 7 -14.829 6.223 4.761 48 HA ASP 7 HA ASP 7 -13.107 4.930 2.878 49 HB2 ASP 7 2HB ASP 7 -15.239 4.380 1.691 50 HB3 ASP 7 1HB ASP 7 -15.286 3.994 3.411 51 H VAL 8 H VAL 8 -12.201 5.710 1.073 52 HA VAL 8 HA VAL 8 -13.496 7.980 -0.353 53 HB VAL 8 HB VAL 8 -11.469 9.233 -0.506 54 HG11 VAL 8 1HG1 VAL 8 -11.298 9.952 1.678 55 HG12 VAL 8 2HG1 VAL 8 -11.172 8.314 2.318 56 HG13 VAL 8 3HG1 VAL 8 -12.742 8.951 1.832 57 HG21 VAL 8 1HG2 VAL 8 -9.703 7.794 -0.867 58 HG22 VAL 8 2HG2 VAL 8 -10.261 6.642 0.344 59 HG23 VAL 8 3HG2 VAL 8 -9.441 8.119 0.847 60 H ARG 9 H ARG 9 -13.245 7.854 -2.608 61 HA ARG 9 HA ARG 9 -11.615 5.544 -3.606 62 HB2 ARG 9 2HB ARG 9 -14.071 5.134 -3.749 63 HB3 ARG 9 1HB ARG 9 -14.222 6.575 -4.757 64 HG2 ARG 9 2HG ARG 9 -12.702 5.590 -6.419 65 HG3 ARG 9 1HG ARG 9 -12.518 4.155 -5.410 66 HD2 ARG 9 2HD ARG 9 -14.177 3.657 -7.098 67 HD3 ARG 9 1HD ARG 9 -15.012 3.829 -5.554 68 HE ARG 9 HE ARG 9 -16.047 5.797 -6.381 69 HH11 ARG 9 1HH1 ARG 9 -16.520 7.242 -8.052 70 HH12 ARG 9 2HH1 ARG 9 -15.538 7.246 -9.479 71 HH21 ARG 9 1HH2 ARG 9 -13.448 4.713 -8.370 72 HH22 ARG 9 2HH2 ARG 9 -13.799 5.814 -9.658 73 H LYS 10 H LYS 10 -9.997 6.210 -4.917 74 HA LYS 10 HA LYS 10 -10.455 8.598 -6.643 75 HB2 LYS 10 2HB LYS 10 -7.987 8.082 -4.952 76 HB3 LYS 10 1HB LYS 10 -8.155 9.383 -6.136 77 HG2 LYS 10 2HG LYS 10 -10.132 10.227 -4.859 78 HG3 LYS 10 1HG LYS 10 -9.828 8.993 -3.636 79 HD2 LYS 10 2HD LYS 10 -7.530 9.933 -3.327 80 HD3 LYS 10 1HD LYS 10 -7.948 11.228 -4.450 81 HE2 LYS 10 2HE LYS 10 -9.911 11.769 -2.940 82 HE3 LYS 10 1HE LYS 10 -9.230 10.638 -1.771 83 HZ1 LYS 10 1HZ LYS 10 -7.103 12.159 -2.421 84 HZ2 LYS 10 2HZ LYS 10 -8.090 12.403 -1.059 85 HZ3 LYS 10 3HZ LYS 10 -8.364 13.293 -2.479 86 H SER 11 H SER 11 -9.300 8.517 -8.642 87 HA SER 11 HA SER 11 -7.672 6.073 -9.130 88 HB2 SER 11 2HB SER 11 -8.884 5.593 -11.193 89 HB3 SER 11 1HB SER 11 -10.016 5.603 -9.842 90 HG SER 11 HG SER 11 -10.625 7.688 -10.433 91 H VAL 12 H VAL 12 -6.206 6.293 -10.909 92 HA VAL 12 HA VAL 12 -6.092 8.826 -12.381 93 HB VAL 12 HB VAL 12 -4.507 8.379 -9.973 94 HG11 VAL 12 1HG1 VAL 12 -2.746 7.644 -11.489 95 HG12 VAL 12 2HG1 VAL 12 -2.382 9.280 -10.949 96 HG13 VAL 12 3HG1 VAL 12 -3.049 9.017 -12.557 97 HG21 VAL 12 1HG2 VAL 12 -4.842 10.724 -11.865 98 HG22 VAL 12 2HG2 VAL 12 -4.120 10.807 -10.258 99 HG23 VAL 12 3HG2 VAL 12 -5.826 10.397 -10.438 100 H VAL 13 H VAL 13 -4.509 8.699 -14.148 101 HA VAL 13 HA VAL 13 -3.874 5.875 -14.827 102 HB VAL 13 HB VAL 13 -3.942 8.319 -16.620 103 HG11 VAL 13 1HG1 VAL 13 -4.258 6.193 -18.249 104 HG12 VAL 13 2HG1 VAL 13 -3.274 5.443 -16.992 105 HG13 VAL 13 3HG1 VAL 13 -2.674 6.859 -17.856 106 HG21 VAL 13 1HG2 VAL 13 -5.961 6.068 -16.391 107 HG22 VAL 13 2HG2 VAL 13 -6.101 7.529 -17.368 108 HG23 VAL 13 3HG2 VAL 13 -6.159 7.635 -15.608 109 H VAL 14 H VAL 14 -1.766 5.237 -15.050 110 HA VAL 14 HA VAL 14 0.335 7.363 -14.990 111 HB VAL 14 HB VAL 14 1.689 5.845 -13.546 112 HG11 VAL 14 1HG1 VAL 14 0.706 7.419 -12.184 113 HG12 VAL 14 2HG1 VAL 14 -0.109 5.986 -11.557 114 HG13 VAL 14 3HG1 VAL 14 -0.924 7.022 -12.728 115 HG21 VAL 14 1HG2 VAL 14 -0.891 4.250 -13.500 116 HG22 VAL 14 2HG2 VAL 14 0.479 3.971 -12.426 117 HG23 VAL 14 3HG2 VAL 14 0.656 3.720 -14.162 118 H ALA 15 H ALA 15 2.463 6.559 -15.839 119 HA ALA 15 HA ALA 15 2.024 4.958 -18.255 120 HB1 ALA 15 1HB ALA 15 4.069 5.781 -18.985 121 HB2 ALA 15 2HB ALA 15 4.744 5.822 -17.354 122 HB3 ALA 15 3HB ALA 15 3.594 7.058 -17.865 123 H ALA 16 H ALA 16 1.679 2.781 -17.539 124 HA ALA 16 HA ALA 16 4.054 1.257 -17.031 125 HB1 ALA 16 1HB ALA 16 3.116 2.534 -14.743 126 HB2 ALA 16 2HB ALA 16 4.213 1.154 -14.788 127 HB3 ALA 16 3HB ALA 16 2.478 0.896 -14.607 128 H SER 17 H SER 17 3.531 -1.059 -16.570 129 HA SER 17 HA SER 17 0.897 -1.752 -17.759 130 HB2 SER 17 2HB SER 17 2.974 -2.694 -18.807 131 HB3 SER 17 1HB SER 17 3.322 -3.518 -17.289 132 HG SER 17 HG SER 17 2.197 -4.874 -18.729 133 H VAL 18 H VAL 18 -0.507 -3.192 -16.602 134 HA VAL 18 HA VAL 18 -0.581 -2.935 -13.802 135 HB VAL 18 HB VAL 18 -2.168 -4.839 -13.856 136 HG11 VAL 18 1HG1 VAL 18 -2.587 -3.072 -16.265 137 HG12 VAL 18 2HG1 VAL 18 -2.714 -2.454 -14.621 138 HG13 VAL 18 3HG1 VAL 18 -3.808 -3.722 -15.174 139 HG21 VAL 18 1HG2 VAL 18 -0.906 -5.168 -16.555 140 HG22 VAL 18 2HG2 VAL 18 -2.602 -5.607 -16.355 141 HG23 VAL 18 3HG2 VAL 18 -1.363 -6.400 -15.383 142 H GLU 19 H GLU 19 0.874 -5.496 -15.781 143 HA GLU 19 HA GLU 19 1.611 -7.218 -13.636 144 HB2 GLU 19 2HB GLU 19 2.917 -6.712 -16.315 145 HB3 GLU 19 1HB GLU 19 3.367 -8.023 -15.236 146 HG2 GLU 19 2HG GLU 19 1.033 -8.869 -15.320 147 HG3 GLU 19 1HG GLU 19 0.628 -7.582 -16.456 148 H HIS 20 H HIS 20 3.187 -4.436 -15.130 149 HA HIS 20 HA HIS 20 5.628 -4.580 -13.639 150 HB2 HIS 20 2HB HIS 20 5.594 -3.148 -15.561 151 HB3 HIS 20 1HB HIS 20 4.202 -2.253 -14.942 152 HD1 HIS 20 1HD HIS 20 7.888 -2.446 -14.743 153 HD2 HIS 20 2HD HIS 20 4.819 -0.626 -12.570 154 HE1 HIS 20 1HE HIS 20 8.986 -0.769 -13.198 155 HE2 HIS 20 2HE HIS 20 7.131 0.351 -11.892 156 H CYS 21 H CYS 21 2.550 -2.922 -13.051 157 HA CYS 21 HA CYS 21 3.218 -1.397 -10.814 158 HB2 CYS 21 2HB CYS 21 0.693 -2.970 -11.384 159 HB3 CYS 21 1HB CYS 21 0.835 -1.776 -10.101 160 HG CYS 21 HG CYS 21 0.596 -1.152 -13.087 161 H PHE 22 H PHE 22 2.305 -4.834 -10.928 162 HA PHE 22 HA PHE 22 2.756 -5.046 -8.046 163 HB2 PHE 22 2HB PHE 22 1.506 -6.706 -10.078 164 HB3 PHE 22 1HB PHE 22 2.537 -7.644 -8.983 165 HD1 PHE 22 1HD PHE 22 -0.137 -5.048 -9.052 166 HD2 PHE 22 2HD PHE 22 1.891 -8.051 -6.748 167 HE1 PHE 22 1HE PHE 22 -1.753 -4.720 -7.213 168 HE2 PHE 22 2HE PHE 22 0.266 -7.737 -4.903 169 HZ PHE 22 HZ PHE 22 -1.554 -6.059 -5.140 170 H GLU 23 H GLU 23 4.582 -5.643 -10.962 171 HA GLU 23 HA GLU 23 6.550 -7.381 -9.846 172 HB2 GLU 23 2HB GLU 23 6.443 -6.840 -12.267 173 HB3 GLU 23 1HB GLU 23 6.936 -5.189 -11.895 174 HG2 GLU 23 2HG GLU 23 9.030 -6.044 -10.891 175 HG3 GLU 23 1HG GLU 23 8.552 -7.687 -11.331 176 H VAL 24 H VAL 24 6.204 -3.861 -9.882 177 HA VAL 24 HA VAL 24 8.650 -3.279 -8.518 178 HB VAL 24 HB VAL 24 6.025 -1.752 -8.611 179 HG11 VAL 24 1HG1 VAL 24 8.432 -1.320 -7.105 180 HG12 VAL 24 2HG1 VAL 24 6.980 -0.323 -7.173 181 HG13 VAL 24 3HG1 VAL 24 8.284 -0.059 -8.327 182 HG21 VAL 24 1HG2 VAL 24 8.487 -1.843 -10.352 183 HG22 VAL 24 2HG2 VAL 24 7.496 -0.386 -10.276 184 HG23 VAL 24 3HG2 VAL 24 6.792 -1.904 -10.832 185 H PHE 25 H PHE 25 5.344 -3.930 -7.421 186 HA PHE 25 HA PHE 25 5.644 -3.344 -4.676 187 HB2 PHE 25 2HB PHE 25 3.966 -5.371 -6.152 188 HB3 PHE 25 1HB PHE 25 3.862 -5.172 -4.410 189 HD1 PHE 25 1HD PHE 25 1.441 -4.623 -4.841 190 HD2 PHE 25 2HD PHE 25 4.631 -2.106 -6.272 191 HE1 PHE 25 1HE PHE 25 -0.147 -2.752 -5.132 192 HE2 PHE 25 2HE PHE 25 3.039 -0.255 -6.549 193 HZ PHE 25 HZ PHE 25 0.657 -0.573 -5.979 194 H THR 26 H THR 26 6.209 -6.430 -6.375 195 HA THR 26 HA THR 26 7.380 -7.519 -3.890 196 HB THR 26 HB THR 26 7.360 -9.666 -5.098 197 HG1 THR 26 1HG THR 26 7.713 -8.917 -7.177 198 HG21 THR 26 1HG2 THR 26 5.061 -8.039 -4.466 199 HG22 THR 26 2HG2 THR 26 5.268 -9.780 -4.267 200 HG23 THR 26 3HG2 THR 26 4.683 -9.129 -5.799 201 H SER 27 H SER 27 8.542 -5.805 -6.532 202 HA SER 27 HA SER 27 11.074 -7.347 -6.644 203 HB2 SER 27 2HB SER 27 10.161 -6.657 -8.787 204 HB3 SER 27 1HB SER 27 10.146 -4.977 -8.263 205 HG SER 27 HG SER 27 12.461 -5.238 -7.956 206 H ARG 28 H ARG 28 9.976 -4.035 -5.753 207 HA ARG 28 HA ARG 28 12.094 -3.780 -3.828 208 HB2 ARG 28 2HB ARG 28 13.310 -1.918 -5.159 209 HB3 ARG 28 1HB ARG 28 13.678 -3.592 -5.544 210 HG2 ARG 28 2HG ARG 28 13.367 -2.509 -7.644 211 HG3 ARG 28 1HG ARG 28 11.887 -3.412 -7.382 212 HD2 ARG 28 2HD ARG 28 10.691 -1.437 -6.747 213 HD3 ARG 28 1HD ARG 28 12.182 -0.498 -6.615 214 HE ARG 28 HE ARG 28 11.635 -1.606 -9.282 215 HH11 ARG 28 1HH1 ARG 28 11.359 -0.049 -10.895 216 HH12 ARG 28 2HH1 ARG 28 11.151 1.612 -10.451 217 HH21 ARG 28 1HH2 ARG 28 11.368 1.004 -7.044 218 HH22 ARG 28 2HH2 ARG 28 11.157 2.208 -8.271 219 HA PRO 29 HA PRO 29 8.536 -0.630 -3.977 220 HB2 PRO 29 2HB PRO 29 7.753 -1.221 -1.363 221 HB3 PRO 29 1HB PRO 29 6.955 -1.788 -2.839 222 HG2 PRO 29 2HG PRO 29 8.852 -3.193 -1.057 223 HG3 PRO 29 1HG PRO 29 7.508 -3.824 -2.018 224 HD2 PRO 29 2HD PRO 29 10.110 -4.154 -2.759 225 HD3 PRO 29 1HD PRO 29 8.790 -4.025 -3.940 226 H ALA 30 H ALA 30 10.803 -1.477 -1.382 227 HA ALA 30 HA ALA 30 10.707 1.155 -0.177 228 HB1 ALA 30 1HB ALA 30 11.343 -0.755 1.167 229 HB2 ALA 30 2HB ALA 30 12.709 0.359 1.085 230 HB3 ALA 30 3HB ALA 30 12.701 -1.103 0.097 231 H ASP 31 H ASP 31 12.780 -0.356 -2.616 232 HA ASP 31 HA ASP 31 14.908 1.498 -2.605 233 HB2 ASP 31 2HB ASP 31 14.750 -0.605 -4.005 234 HB3 ASP 31 1HB ASP 31 13.714 0.302 -5.111 235 H TRP 32 H TRP 32 11.660 1.821 -3.964 236 HA TRP 32 HA TRP 32 12.422 4.497 -5.023 237 HB2 TRP 32 2HB TRP 32 10.906 4.121 -6.656 238 HB3 TRP 32 1HB TRP 32 10.703 2.489 -6.020 239 HD1 TRP 32 HD TRP 32 9.350 6.033 -5.267 240 HE1 TRP 32 1HE TRP 32 6.897 5.821 -4.525 241 HE3 TRP 32 3HE TRP 32 8.811 0.980 -5.501 242 HZ2 TRP 32 2HZ TRP 32 4.971 3.771 -4.098 243 HZ3 TRP 32 3HZ TRP 32 6.627 -0.082 -4.936 244 HH2 TRP 32 HH TRP 32 4.712 1.315 -4.235 245 H TRP 33 H TRP 33 12.334 6.000 -3.435 246 HA TRP 33 HA TRP 33 10.053 5.894 -1.505 247 HB2 TRP 33 2HB TRP 33 11.932 7.706 -0.523 248 HB3 TRP 33 1HB TRP 33 11.711 6.043 0.025 249 HD1 TRP 33 HD TRP 33 13.662 4.440 -0.343 250 HE1 TRP 33 1HE TRP 33 15.867 4.511 -1.678 251 HE3 TRP 33 3HE TRP 33 13.013 8.820 -2.887 252 HZ2 TRP 33 2HZ TRP 33 17.181 6.203 -3.573 253 HZ3 TRP 33 3HZ TRP 33 14.755 9.637 -4.449 254 HH2 TRP 33 HH TRP 33 16.836 8.336 -4.795 255 HA PRO 34 HA PRO 34 8.600 9.750 -3.093 256 HB2 PRO 34 2HB PRO 34 7.669 10.982 -0.834 257 HB3 PRO 34 1HB PRO 34 6.848 9.606 -1.597 258 HG2 PRO 34 2HG PRO 34 8.612 9.669 0.797 259 HG3 PRO 34 1HG PRO 34 7.152 8.713 0.491 260 HD2 PRO 34 2HD PRO 34 9.699 7.697 0.273 261 HD3 PRO 34 1HD PRO 34 8.306 7.063 -0.631 262 HA PRO 35 HA PRO 35 11.805 12.791 -2.673 263 HB2 PRO 35 2HB PRO 35 10.375 15.103 -3.189 264 HB3 PRO 35 1HB PRO 35 10.964 13.988 -4.434 265 HG2 PRO 35 2HG PRO 35 8.246 14.265 -3.275 266 HG3 PRO 35 1HG PRO 35 8.737 13.882 -4.934 267 HD2 PRO 35 2HD PRO 35 7.831 11.984 -3.191 268 HD3 PRO 35 1HD PRO 35 9.001 11.627 -4.480 269 H SER 36 H SER 36 12.518 13.104 -0.582 270 HA SER 36 HA SER 36 11.197 15.190 1.018 271 HB2 SER 36 2HB SER 36 10.854 13.823 2.977 272 HB3 SER 36 1HB SER 36 10.061 13.015 1.628 273 HG SER 36 HG SER 36 12.163 12.214 3.165 274 H HIS 37 H HIS 37 12.559 15.747 2.950 275 HA HIS 37 HA HIS 37 15.282 16.089 2.290 276 HB2 HIS 37 2HB HIS 37 13.986 15.984 5.033 277 HB3 HIS 37 1HB HIS 37 15.605 16.606 4.709 278 HD1 HIS 37 1HD HIS 37 13.475 18.514 5.846 279 HD2 HIS 37 2HD HIS 37 14.172 18.024 1.761 280 HE1 HIS 37 1HE HIS 37 12.614 20.612 4.713 281 HE2 HIS 37 2HE HIS 37 13.033 20.323 2.229 282 H VAL 38 H VAL 38 13.645 13.440 3.918 283 HA VAL 38 HA VAL 38 16.252 12.086 4.388 284 HB VAL 38 HB VAL 38 13.459 11.279 5.258 285 HG11 VAL 38 1HG1 VAL 38 14.396 9.360 5.971 286 HG12 VAL 38 2HG1 VAL 38 15.654 10.250 6.829 287 HG13 VAL 38 3HG1 VAL 38 15.878 9.823 5.134 288 HG21 VAL 38 1HG2 VAL 38 13.725 12.991 6.726 289 HG22 VAL 38 2HG2 VAL 38 15.438 13.166 6.340 290 HG23 VAL 38 3HG2 VAL 38 14.916 11.951 7.507 291 H LEU 39 H LEU 39 16.784 10.195 3.285 292 HA LEU 39 HA LEU 39 15.848 9.725 0.705 293 HB2 LEU 39 2HB LEU 39 17.881 8.669 1.721 294 HB3 LEU 39 1HB LEU 39 16.821 7.577 2.612 295 HG LEU 39 HG LEU 39 15.847 6.826 0.426 296 HD11 LEU 39 1HD1 LEU 39 16.225 8.309 -1.264 297 HD12 LEU 39 2HD1 LEU 39 17.741 7.427 -1.447 298 HD13 LEU 39 3HD1 LEU 39 17.700 8.929 -0.524 299 HD21 LEU 39 1HD2 LEU 39 18.474 6.289 1.515 300 HD22 LEU 39 2HD2 LEU 39 18.487 6.069 -0.234 301 HD23 LEU 39 3HD2 LEU 39 17.341 5.170 0.760 302 H VAL 40 H VAL 40 14.636 8.288 3.736 303 HA VAL 40 HA VAL 40 12.150 7.566 2.248 304 HB VAL 40 HB VAL 40 12.025 5.466 3.613 305 HG11 VAL 40 1HG1 VAL 40 13.613 6.024 1.343 306 HG12 VAL 40 2HG1 VAL 40 12.969 4.458 1.837 307 HG13 VAL 40 3HG1 VAL 40 14.577 4.955 2.362 308 HG21 VAL 40 1HG2 VAL 40 14.295 4.736 4.580 309 HG22 VAL 40 2HG2 VAL 40 13.412 5.958 5.494 310 HG23 VAL 40 3HG2 VAL 40 14.764 6.433 4.467 311 H LYS 41 H LYS 41 10.414 8.490 3.248 312 HA LYS 41 HA LYS 41 10.647 9.902 5.729 313 HB2 LYS 41 2HB LYS 41 8.201 8.882 4.271 314 HB3 LYS 41 1HB LYS 41 8.146 9.985 5.643 315 HG2 LYS 41 2HG LYS 41 9.471 11.631 4.396 316 HG3 LYS 41 1HG LYS 41 9.592 10.521 3.032 317 HD2 LYS 41 2HD LYS 41 7.815 12.086 2.547 318 HD3 LYS 41 1HD LYS 41 7.075 10.524 2.902 319 HE2 LYS 41 2HE LYS 41 6.325 11.214 5.014 320 HE3 LYS 41 1HE LYS 41 7.496 12.529 5.107 321 HZ1 LYS 41 1HZ LYS 41 4.886 12.471 3.885 322 HZ2 LYS 41 2HZ LYS 41 6.089 13.167 2.906 323 HZ3 LYS 41 3HZ LYS 41 5.787 13.789 4.458 324 H LYS 42 H LYS 42 9.587 6.664 4.867 325 HA LYS 42 HA LYS 42 9.167 6.017 7.744 326 HB2 LYS 42 2HB LYS 42 7.401 5.369 6.046 327 HB3 LYS 42 1HB LYS 42 8.590 4.289 5.319 328 HG2 LYS 42 2HG LYS 42 8.266 4.012 8.254 329 HG3 LYS 42 1HG LYS 42 6.876 3.520 7.289 330 HD2 LYS 42 2HD LYS 42 8.048 1.837 6.196 331 HD3 LYS 42 1HD LYS 42 9.608 2.603 6.480 332 HE2 LYS 42 2HE LYS 42 9.052 0.520 7.885 333 HE3 LYS 42 1HE LYS 42 9.668 1.936 8.737 334 HZ1 LYS 42 1HZ LYS 42 6.998 0.769 8.755 335 HZ2 LYS 42 2HZ LYS 42 7.085 2.466 8.797 336 HZ3 LYS 42 3HZ LYS 42 7.852 1.543 9.999 337 H GLU 43 H GLU 43 10.357 4.196 8.638 338 HA GLU 43 HA GLU 43 13.038 3.970 7.542 339 HB2 GLU 43 2HB GLU 43 11.669 2.524 9.814 340 HB3 GLU 43 1HB GLU 43 13.384 2.385 9.440 341 HG2 GLU 43 2HG GLU 43 13.615 4.849 9.728 342 HG3 GLU 43 1HG GLU 43 11.914 4.931 10.187 343 H ARG 44 H ARG 44 13.151 2.833 5.622 344 HA ARG 44 HA ARG 44 12.092 0.031 5.677 345 HB2 ARG 44 2HB ARG 44 12.368 1.781 3.205 346 HB3 ARG 44 1HB ARG 44 11.716 0.146 3.267 347 HG2 ARG 44 2HG ARG 44 9.947 1.046 4.861 348 HG3 ARG 44 1HG ARG 44 10.504 2.663 4.414 349 HD2 ARG 44 2HD ARG 44 10.121 2.113 2.029 350 HD3 ARG 44 1HD ARG 44 9.487 0.540 2.510 351 HE ARG 44 HE ARG 44 8.116 2.755 3.819 352 HH11 ARG 44 1HH1 ARG 44 5.966 3.074 3.199 353 HH12 ARG 44 2HH1 ARG 44 5.375 2.319 1.756 354 HH21 ARG 44 1HH2 ARG 44 8.396 0.794 0.997 355 HH22 ARG 44 2HH2 ARG 44 6.750 1.029 0.510 356 H ALA 45 H ALA 45 13.689 -1.492 5.301 357 HA ALA 45 HA ALA 45 16.275 -0.521 4.152 358 HB1 ALA 45 1HB ALA 45 16.545 -2.625 6.176 359 HB2 ALA 45 2HB ALA 45 15.898 -1.119 6.826 360 HB3 ALA 45 3HB ALA 45 17.451 -1.122 5.990 361 H GLY 46 H GLY 46 14.243 -3.317 4.930 362 HA2 GLY 46 2HA GLY 46 15.277 -4.642 2.469 363 HA3 GLY 46 1HA GLY 46 15.290 -5.539 3.987 364 H LEU 47 H LEU 47 13.738 -6.584 1.935 365 HA LEU 47 HA LEU 47 11.088 -6.286 3.135 366 HB2 LEU 47 2HB LEU 47 9.995 -5.796 0.938 367 HB3 LEU 47 1HB LEU 47 11.003 -4.479 1.546 368 HG LEU 47 HG LEU 47 12.811 -5.978 0.114 369 HD11 LEU 47 1HD1 LEU 47 11.738 -6.484 -2.032 370 HD12 LEU 47 2HD1 LEU 47 10.184 -5.954 -1.389 371 HD13 LEU 47 3HD1 LEU 47 10.964 -7.390 -0.732 372 HD21 LEU 47 1HD2 LEU 47 11.075 -3.648 -0.752 373 HD22 LEU 47 2HD2 LEU 47 12.513 -4.177 -1.623 374 HD23 LEU 47 3HD2 LEU 47 12.657 -3.560 0.022 375 H ALA 48 H ALA 48 9.821 -8.049 2.937 376 HA ALA 48 HA ALA 48 10.831 -10.273 1.209 377 HB1 ALA 48 1HB ALA 48 10.589 -10.329 3.947 378 HB2 ALA 48 2HB ALA 48 10.498 -11.757 2.918 379 HB3 ALA 48 3HB ALA 48 9.019 -10.955 3.446 380 H PHE 49 H PHE 49 9.327 -11.016 -0.293 381 HA PHE 49 HA PHE 49 6.494 -10.110 0.058 382 HB2 PHE 49 2HB PHE 49 8.413 -9.556 -2.115 383 HB3 PHE 49 1HB PHE 49 6.813 -10.074 -2.638 384 HD1 PHE 49 1HD PHE 49 8.689 -7.538 -0.734 385 HD2 PHE 49 2HD PHE 49 4.867 -8.694 -2.294 386 HE1 PHE 49 1HE PHE 49 7.839 -5.255 -0.316 387 HE2 PHE 49 2HE PHE 49 3.999 -6.408 -1.876 388 HZ PHE 49 HZ PHE 49 5.481 -4.682 -0.895 389 H GLU 50 H GLU 50 4.985 -11.665 -0.379 390 HA GLU 50 HA GLU 50 5.902 -14.033 -1.958 391 HB2 GLU 50 2HB GLU 50 4.633 -13.957 0.739 392 HB3 GLU 50 1HB GLU 50 4.231 -15.295 -0.333 393 HG2 GLU 50 2HG GLU 50 7.029 -14.439 0.420 394 HG3 GLU 50 1HG GLU 50 6.157 -15.767 1.180 395 HA PRO 51 HA PRO 51 2.000 -12.955 -3.958 396 HB2 PRO 51 2HB PRO 51 2.001 -14.710 -5.959 397 HB3 PRO 51 1HB PRO 51 3.231 -13.432 -5.872 398 HG2 PRO 51 2HG PRO 51 3.453 -16.319 -5.149 399 HG3 PRO 51 1HG PRO 51 4.606 -15.283 -6.007 400 HD2 PRO 51 2HD PRO 51 4.755 -15.890 -3.290 401 HD3 PRO 51 1HD PRO 51 5.521 -14.485 -4.068 402 H PHE 52 H PHE 52 -0.096 -13.539 -3.394 403 HA PHE 52 HA PHE 52 -1.250 -16.102 -3.592 404 HB2 PHE 52 2HB PHE 52 -1.329 -16.518 -0.995 405 HB3 PHE 52 1HB PHE 52 0.058 -17.073 -1.922 406 HD1 PHE 52 1HD PHE 52 1.240 -17.044 0.346 407 HD2 PHE 52 2HD PHE 52 -0.155 -13.435 -1.538 408 HE1 PHE 52 1HE PHE 52 2.741 -15.678 1.776 409 HE2 PHE 52 2HE PHE 52 1.360 -12.116 -0.159 410 HZ PHE 52 HZ PHE 52 2.782 -13.201 1.523 411 H VAL 53 H VAL 53 -3.205 -16.273 -1.900 412 HA VAL 53 HA VAL 53 -4.546 -13.620 -1.897 413 HB VAL 53 HB VAL 53 -6.349 -14.816 -2.547 414 HG11 VAL 53 1HG1 VAL 53 -4.672 -16.407 -3.465 415 HG12 VAL 53 2HG1 VAL 53 -6.176 -17.201 -3.000 416 HG13 VAL 53 3HG1 VAL 53 -4.757 -17.326 -1.961 417 HG21 VAL 53 1HG2 VAL 53 -5.979 -16.454 -0.015 418 HG22 VAL 53 2HG2 VAL 53 -7.450 -16.343 -0.977 419 HG23 VAL 53 3HG2 VAL 53 -6.858 -14.925 -0.116 420 H GLY 54 H GLY 54 -5.259 -12.726 0.167 421 HA2 GLY 54 2HA GLY 54 -5.134 -12.491 2.544 422 HA3 GLY 54 1HA GLY 54 -4.994 -14.257 2.632 423 H GLY 55 H GLY 55 -3.093 -12.331 0.561 424 HA2 GLY 55 2HA GLY 55 -0.643 -13.501 1.371 425 HA3 GLY 55 1HA GLY 55 -0.857 -12.185 0.220 426 H ARG 56 H ARG 56 1.400 -12.038 1.615 427 HA ARG 56 HA ARG 56 0.840 -9.753 3.432 428 HB2 ARG 56 2HB ARG 56 2.488 -12.179 4.185 429 HB3 ARG 56 1HB ARG 56 2.453 -10.674 5.102 430 HG2 ARG 56 2HG ARG 56 0.017 -10.919 5.422 431 HG3 ARG 56 1HG ARG 56 0.052 -12.428 4.511 432 HD2 ARG 56 2HD ARG 56 0.096 -12.944 6.887 433 HD3 ARG 56 1HD ARG 56 1.657 -13.357 6.180 434 HE ARG 56 HE ARG 56 1.915 -10.723 7.114 435 HH11 ARG 56 1HH1 ARG 56 2.778 -10.309 9.165 436 HH12 ARG 56 2HH1 ARG 56 2.722 -11.544 10.377 437 HH21 ARG 56 1HH2 ARG 56 1.142 -13.853 8.331 438 HH22 ARG 56 2HH2 ARG 56 1.797 -13.551 9.906 439 H TYR 57 H TYR 57 2.422 -8.218 3.486 440 HA TYR 57 HA TYR 57 4.876 -8.642 1.829 441 HB2 TYR 57 2HB TYR 57 3.408 -6.021 2.245 442 HB3 TYR 57 1HB TYR 57 4.782 -6.298 1.178 443 HD1 TYR 57 1HD TYR 57 1.698 -5.366 0.793 444 HD2 TYR 57 2HD TYR 57 3.961 -8.909 -0.112 445 HE1 TYR 57 1HE TYR 57 0.129 -5.909 -1.044 446 HE2 TYR 57 2HE TYR 57 2.390 -9.449 -1.935 447 HH TYR 57 HH TYR 57 0.646 -8.755 -3.122 448 H TYR 58 H TYR 58 6.812 -7.927 2.795 449 HA TYR 58 HA TYR 58 6.533 -6.806 5.560 450 HB2 TYR 58 2HB TYR 58 8.550 -8.874 4.656 451 HB3 TYR 58 1HB TYR 58 8.306 -8.279 6.300 452 HD1 TYR 58 1HD TYR 58 6.818 -9.389 7.721 453 HD2 TYR 58 2HD TYR 58 6.449 -9.883 3.472 454 HE1 TYR 58 1HE TYR 58 5.012 -11.045 8.066 455 HE2 TYR 58 2HE TYR 58 4.640 -11.518 3.808 456 HH TYR 58 HH TYR 58 4.079 -13.197 6.039 457 H GLU 59 H GLU 59 8.038 -5.305 6.188 458 HA GLU 59 HA GLU 59 10.177 -4.551 4.227 459 HB2 GLU 59 2HB GLU 59 7.946 -2.941 5.216 460 HB3 GLU 59 1HB GLU 59 9.490 -2.225 5.652 461 HG2 GLU 59 2HG GLU 59 10.109 -1.858 3.451 462 HG3 GLU 59 1HG GLU 59 9.140 -3.192 2.831 463 H TRP 60 H TRP 60 12.142 -3.906 5.252 464 HA TRP 60 HA TRP 60 12.248 -4.622 8.142 465 HB2 TRP 60 2HB TRP 60 14.064 -4.931 5.857 466 HB3 TRP 60 1HB TRP 60 14.855 -4.317 7.311 467 HD1 TRP 60 HD TRP 60 14.059 -5.769 9.638 468 HE1 TRP 60 1HE TRP 60 13.974 -8.338 9.871 469 HE3 TRP 60 3HE TRP 60 13.869 -7.110 4.708 470 HZ2 TRP 60 2HZ TRP 60 13.824 -10.638 8.196 471 HZ3 TRP 60 3HZ TRP 60 13.763 -9.496 4.057 472 HH2 TRP 60 HH TRP 60 13.746 -11.263 5.791 473 H ASP 61 H ASP 61 12.622 -3.038 9.636 474 HA ASP 61 HA ASP 61 13.241 -0.334 8.568 475 HB2 ASP 61 2HB ASP 61 12.475 -1.238 11.352 476 HB3 ASP 61 1HB ASP 61 12.750 0.436 10.881 477 H ILE 62 H ILE 62 15.206 0.635 8.928 478 HA ILE 62 HA ILE 62 17.511 -0.875 9.327 479 HB ILE 62 HB ILE 62 18.523 1.419 10.038 480 HG12 ILE 62 2HG1 ILE 62 15.865 2.038 10.401 481 HG13 ILE 62 1HG1 ILE 62 17.149 3.220 10.195 482 HG21 ILE 62 1HG2 ILE 62 18.818 0.542 7.824 483 HG22 ILE 62 2HG2 ILE 62 18.285 2.213 7.650 484 HG23 ILE 62 3HG2 ILE 62 17.143 0.890 7.401 485 HD11 ILE 62 1HD1 ILE 62 15.592 2.028 7.883 486 HD12 ILE 62 2HD1 ILE 62 16.709 3.392 7.827 487 HD13 ILE 62 3HD1 ILE 62 15.168 3.551 8.662 488 H ASP 63 H ASP 63 15.615 0.852 11.780 489 HA ASP 63 HA ASP 63 17.410 -0.311 13.862 490 HB2 ASP 63 2HB ASP 63 15.364 1.925 14.005 491 HB3 ASP 63 1HB ASP 63 16.256 1.306 15.395 492 H GLY 64 H GLY 64 14.351 -0.617 12.391 493 HA2 GLY 64 2HA GLY 64 13.393 -2.259 14.684 494 HA3 GLY 64 1HA GLY 64 12.323 -1.473 13.535 495 H THR 65 H THR 65 12.731 -4.281 14.343 496 HA THR 65 HA THR 65 13.839 -5.888 12.285 497 HB THR 65 HB THR 65 11.437 -6.543 14.005 498 HG1 THR 65 1HG THR 65 12.718 -6.515 15.647 499 HG21 THR 65 1HG2 THR 65 11.732 -8.358 12.592 500 HG22 THR 65 2HG2 THR 65 12.786 -8.805 13.931 501 HG23 THR 65 3HG2 THR 65 13.472 -8.111 12.464 502 H GLU 66 H GLU 66 12.171 -7.448 11.006 503 HA GLU 66 HA GLU 66 10.639 -5.641 9.305 504 HB2 GLU 66 2HB GLU 66 10.050 -7.794 8.076 505 HB3 GLU 66 1HB GLU 66 11.736 -7.323 8.065 506 HG2 GLU 66 2HG GLU 66 11.585 -9.692 8.551 507 HG3 GLU 66 1HG GLU 66 12.101 -8.854 10.011 508 H ILE 67 H ILE 67 8.433 -5.800 8.891 509 HA ILE 67 HA ILE 67 6.775 -7.513 10.634 510 HB ILE 67 HB ILE 67 6.438 -4.497 10.630 511 HG12 ILE 67 2HG1 ILE 67 7.519 -6.327 12.792 512 HG13 ILE 67 1HG1 ILE 67 8.457 -5.139 11.889 513 HG21 ILE 67 1HG2 ILE 67 5.121 -5.777 12.793 514 HG22 ILE 67 2HG2 ILE 67 4.736 -6.702 11.349 515 HG23 ILE 67 3HG2 ILE 67 4.382 -4.977 11.408 516 HD11 ILE 67 1HD1 ILE 67 6.674 -3.440 12.739 517 HD12 ILE 67 2HD1 ILE 67 7.943 -3.970 13.842 518 HD13 ILE 67 3HD1 ILE 67 6.330 -4.673 13.953 519 H VAL 68 H VAL 68 4.528 -7.590 9.853 520 HA VAL 68 HA VAL 68 4.362 -7.060 6.959 521 HB VAL 68 HB VAL 68 3.482 -9.184 8.008 522 HG11 VAL 68 1HG1 VAL 68 2.563 -7.933 10.034 523 HG12 VAL 68 2HG1 VAL 68 1.479 -9.129 9.323 524 HG13 VAL 68 3HG1 VAL 68 1.234 -7.414 8.999 525 HG21 VAL 68 1HG2 VAL 68 2.669 -8.515 5.819 526 HG22 VAL 68 2HG2 VAL 68 1.535 -7.377 6.544 527 HG23 VAL 68 3HG2 VAL 68 1.301 -9.111 6.757 528 H TRP 69 H TRP 69 3.329 -5.278 6.122 529 HA TRP 69 HA TRP 69 1.969 -3.484 8.088 530 HB2 TRP 69 2HB TRP 69 2.424 -1.675 6.557 531 HB3 TRP 69 1HB TRP 69 3.910 -2.607 6.738 532 HD1 TRP 69 HD TRP 69 0.894 -2.396 4.335 533 HE1 TRP 69 1HE TRP 69 1.681 -3.043 1.982 534 HE3 TRP 69 3HE TRP 69 5.758 -3.518 5.318 535 HZ2 TRP 69 2HZ TRP 69 4.053 -3.855 0.668 536 HZ3 TRP 69 3HZ TRP 69 7.260 -4.200 3.474 537 HH2 TRP 69 HH TRP 69 6.421 -4.373 1.164 538 H GLY 70 H GLY 70 1.045 -5.780 5.862 539 HA2 GLY 70 2HA GLY 70 -1.671 -4.784 5.791 540 HA3 GLY 70 1HA GLY 70 -0.877 -4.563 4.237 541 H ARG 71 H ARG 71 -2.759 -6.079 3.715 542 HA ARG 71 HA ARG 71 -1.724 -8.844 3.664 543 HB2 ARG 71 2HB ARG 71 -3.813 -8.130 5.376 544 HB3 ARG 71 1HB ARG 71 -4.625 -8.802 3.965 545 HG2 ARG 71 2HG ARG 71 -3.132 -10.791 4.084 546 HG3 ARG 71 1HG ARG 71 -2.451 -10.152 5.577 547 HD2 ARG 71 2HD ARG 71 -4.160 -11.694 6.238 548 HD3 ARG 71 1HD ARG 71 -4.841 -10.087 6.481 549 HE ARG 71 HE ARG 71 -5.589 -10.785 3.889 550 HH11 ARG 71 1HH1 ARG 71 -7.565 -11.797 3.461 551 HH12 ARG 71 2HH1 ARG 71 -8.347 -12.704 4.712 552 HH21 ARG 71 1HH2 ARG 71 -5.877 -12.088 7.068 553 HH22 ARG 71 2HH2 ARG 71 -7.392 -12.868 6.754 554 H ILE 72 H ILE 72 -3.499 -10.079 2.198 555 HA ILE 72 HA ILE 72 -4.239 -8.296 -0.058 556 HB ILE 72 HB ILE 72 -2.665 -10.865 -0.191 557 HG12 ILE 72 2HG1 ILE 72 -1.412 -9.363 -1.893 558 HG13 ILE 72 1HG1 ILE 72 -2.303 -8.030 -1.163 559 HG21 ILE 72 1HG2 ILE 72 -4.433 -11.212 -1.771 560 HG22 ILE 72 2HG2 ILE 72 -3.021 -10.696 -2.690 561 HG23 ILE 72 3HG2 ILE 72 -4.317 -9.550 -2.351 562 HD11 ILE 72 1HD1 ILE 72 -1.308 -9.513 1.005 563 HD12 ILE 72 2HD1 ILE 72 -0.717 -7.959 0.435 564 HD13 ILE 72 3HD1 ILE 72 0.017 -9.451 -0.152 565 H LEU 73 H LEU 73 -5.943 -9.423 -1.491 566 HA LEU 73 HA LEU 73 -7.627 -11.255 0.182 567 HB2 LEU 73 2HB LEU 73 -8.315 -9.022 -1.717 568 HB3 LEU 73 1HB LEU 73 -9.473 -10.316 -1.415 569 HG LEU 73 HG LEU 73 -8.155 -9.007 0.933 570 HD11 LEU 73 1HD1 LEU 73 -8.965 -7.173 -0.590 571 HD12 LEU 73 2HD1 LEU 73 -9.781 -7.220 0.971 572 HD13 LEU 73 3HD1 LEU 73 -10.584 -7.857 -0.465 573 HD21 LEU 73 1HD2 LEU 73 -9.596 -10.911 1.348 574 HD22 LEU 73 2HD2 LEU 73 -10.878 -10.217 0.356 575 HD23 LEU 73 3HD2 LEU 73 -10.447 -9.464 1.888 576 H GLU 74 H GLU 74 -6.892 -10.334 -3.128 577 HA GLU 74 HA GLU 74 -6.473 -13.075 -4.013 578 HB2 GLU 74 2HB GLU 74 -8.995 -12.801 -4.099 579 HB3 GLU 74 1HB GLU 74 -8.751 -11.475 -5.240 580 HG2 GLU 74 2HG GLU 74 -7.517 -13.040 -6.739 581 HG3 GLU 74 1HG GLU 74 -7.884 -14.356 -5.623 582 H TRP 75 H TRP 75 -5.571 -12.953 -6.313 583 HA TRP 75 HA TRP 75 -4.840 -10.151 -7.010 584 HB2 TRP 75 2HB TRP 75 -2.535 -10.825 -7.422 585 HB3 TRP 75 1HB TRP 75 -2.990 -11.185 -5.754 586 HD1 TRP 75 HD TRP 75 -4.107 -13.835 -5.543 587 HE1 TRP 75 1HE TRP 75 -3.040 -15.993 -6.467 588 HE3 TRP 75 3HE TRP 75 -0.987 -11.842 -9.061 589 HZ2 TRP 75 2HZ TRP 75 -1.116 -16.771 -8.435 590 HZ3 TRP 75 3HZ TRP 75 0.451 -13.312 -10.444 591 HH2 TRP 75 HH TRP 75 0.391 -15.771 -10.135 592 H ASP 76 H ASP 76 -5.662 -9.777 -8.950 593 HA ASP 76 HA ASP 76 -5.336 -11.870 -11.064 594 HB2 ASP 76 2HB ASP 76 -7.685 -10.587 -10.249 595 HB3 ASP 76 1HB ASP 76 -7.200 -9.721 -11.709 596 HA PRO 77 HA PRO 77 -2.313 -8.528 -11.956 597 HB2 PRO 77 2HB PRO 77 -1.373 -10.383 -14.031 598 HB3 PRO 77 1HB PRO 77 -0.495 -9.649 -12.684 599 HG2 PRO 77 2HG PRO 77 -1.228 -12.270 -12.786 600 HG3 PRO 77 1HG PRO 77 -0.922 -11.368 -11.295 601 HD2 PRO 77 2HD PRO 77 -3.499 -12.277 -12.433 602 HD3 PRO 77 1HD PRO 77 -3.079 -11.885 -10.754 603 HA PRO 78 HA PRO 78 -3.584 -8.289 -16.543 604 HB2 PRO 78 2HB PRO 78 -5.528 -9.925 -17.506 605 HB3 PRO 78 1HB PRO 78 -3.809 -10.359 -17.481 606 HG2 PRO 78 2HG PRO 78 -6.005 -11.228 -15.693 607 HG3 PRO 78 1HG PRO 78 -4.591 -12.123 -16.269 608 HD2 PRO 78 2HD PRO 78 -4.825 -10.975 -13.753 609 HD3 PRO 78 1HD PRO 78 -3.292 -11.419 -14.526 610 H HIS 79 H HIS 79 -5.560 -7.806 -13.931 611 HA HIS 79 HA HIS 79 -7.093 -5.854 -15.333 612 HB2 HIS 79 2HB HIS 79 -8.114 -8.333 -15.855 613 HB3 HIS 79 1HB HIS 79 -9.084 -7.830 -14.468 614 HD1 HIS 79 1HD HIS 79 -9.469 -4.915 -14.835 615 HD2 HIS 79 2HD HIS 79 -9.542 -7.520 -18.090 616 HE1 HIS 79 1HE HIS 79 -10.703 -3.709 -16.684 617 HE2 HIS 79 2HE HIS 79 -10.772 -5.292 -18.669 618 H ARG 80 H ARG 80 -7.459 -8.039 -12.444 619 HA ARG 80 HA ARG 80 -7.925 -5.525 -10.914 620 HB2 ARG 80 2HB ARG 80 -10.128 -6.419 -11.626 621 HB3 ARG 80 1HB ARG 80 -9.765 -7.923 -10.779 622 HG2 ARG 80 2HG ARG 80 -9.484 -6.594 -8.665 623 HG3 ARG 80 1HG ARG 80 -10.042 -5.174 -9.549 624 HD2 ARG 80 2HD ARG 80 -11.602 -7.750 -9.250 625 HD3 ARG 80 1HD ARG 80 -11.881 -6.283 -8.319 626 HE ARG 80 HE ARG 80 -11.997 -5.934 -11.234 627 HH11 ARG 80 1HH1 ARG 80 -14.008 -5.261 -12.013 628 HH12 ARG 80 2HH1 ARG 80 -15.390 -5.316 -10.969 629 HH21 ARG 80 1HH2 ARG 80 -13.624 -6.567 -8.260 630 HH22 ARG 80 2HH2 ARG 80 -15.172 -6.055 -8.844 631 H LEU 81 H LEU 81 -7.369 -5.554 -8.783 632 HA LEU 81 HA LEU 81 -6.520 -8.114 -7.554 633 HB2 LEU 81 2HB LEU 81 -4.840 -5.616 -7.773 634 HB3 LEU 81 1HB LEU 81 -4.503 -6.892 -6.611 635 HG LEU 81 HG LEU 81 -4.879 -8.185 -9.094 636 HD11 LEU 81 1HD1 LEU 81 -4.629 -6.044 -10.209 637 HD12 LEU 81 2HD1 LEU 81 -3.190 -7.020 -10.496 638 HD13 LEU 81 3HD1 LEU 81 -3.148 -5.717 -9.310 639 HD21 LEU 81 1HD2 LEU 81 -2.170 -7.471 -7.980 640 HD22 LEU 81 2HD2 LEU 81 -2.675 -8.964 -8.758 641 HD23 LEU 81 3HD2 LEU 81 -3.214 -8.600 -7.123 642 H ALA 82 H ALA 82 -7.455 -8.248 -5.595 643 HA ALA 82 HA ALA 82 -8.330 -5.718 -4.247 644 HB1 ALA 82 1HB ALA 82 -9.456 -8.514 -4.304 645 HB2 ALA 82 2HB ALA 82 -10.292 -6.982 -4.556 646 HB3 ALA 82 3HB ALA 82 -9.793 -7.457 -2.933 647 H MET 83 H MET 83 -7.858 -5.596 -1.882 648 HA MET 83 HA MET 83 -6.131 -7.767 -0.908 649 HB2 MET 83 2HB MET 83 -4.519 -5.778 -0.147 650 HB3 MET 83 1HB MET 83 -4.330 -6.603 -1.695 651 HG2 MET 83 2HG MET 83 -5.666 -4.875 -2.809 652 HG3 MET 83 1HG MET 83 -5.943 -4.071 -1.265 653 HE1 MET 83 1HE MET 83 -3.655 -5.547 -3.628 654 HE2 MET 83 2HE MET 83 -2.138 -5.445 -2.739 655 HE3 MET 83 3HE MET 83 -2.477 -4.289 -4.024 656 H THR 84 H THR 84 -5.994 -7.986 1.322 657 HA THR 84 HA THR 84 -7.719 -6.100 2.892 658 HB THR 84 HB THR 84 -6.831 -8.956 3.400 659 HG1 THR 84 1HG THR 84 -9.212 -9.051 3.652 660 HG21 THR 84 1HG2 THR 84 -8.009 -6.905 5.268 661 HG22 THR 84 2HG2 THR 84 -6.638 -7.979 5.539 662 HG23 THR 84 3HG2 THR 84 -8.277 -8.629 5.520 663 H TRP 85 H TRP 85 -6.776 -5.276 4.941 664 HA TRP 85 HA TRP 85 -3.802 -5.180 4.756 665 HB2 TRP 85 2HB TRP 85 -5.888 -3.333 5.852 666 HB3 TRP 85 1HB TRP 85 -4.246 -3.251 6.492 667 HD1 TRP 85 HD TRP 85 -4.655 -4.221 2.863 668 HE1 TRP 85 1HE TRP 85 -3.817 -2.300 1.366 669 HE3 TRP 85 3HE TRP 85 -4.009 -0.579 6.383 670 HZ2 TRP 85 2HZ TRP 85 -2.982 0.422 1.624 671 HZ3 TRP 85 3HZ TRP 85 -3.191 1.668 5.730 672 HH2 TRP 85 HH TRP 85 -2.678 2.173 3.358 673 H ARG 86 H ARG 86 -2.557 -6.197 6.269 674 HA ARG 86 HA ARG 86 -3.884 -7.004 8.835 675 HB2 ARG 86 2HB ARG 86 -3.132 -8.898 7.363 676 HB3 ARG 86 1HB ARG 86 -1.481 -8.302 7.514 677 HG2 ARG 86 2HG ARG 86 -1.638 -8.555 9.975 678 HG3 ARG 86 1HG ARG 86 -3.273 -9.194 9.794 679 HD2 ARG 86 2HD ARG 86 -2.308 -10.986 8.292 680 HD3 ARG 86 1HD ARG 86 -0.704 -10.416 8.751 681 HE ARG 86 HE ARG 86 -1.889 -10.865 11.185 682 HH11 ARG 86 1HH1 ARG 86 -1.923 -12.875 12.229 683 HH12 ARG 86 2HH1 ARG 86 -1.795 -14.324 11.290 684 HH21 ARG 86 1HH2 ARG 86 -1.582 -12.659 8.258 685 HH22 ARG 86 2HH2 ARG 86 -1.604 -14.202 9.043 686 H ILE 87 H ILE 87 -3.292 -5.248 10.132 687 HA ILE 87 HA ILE 87 -0.405 -5.038 10.746 688 HB ILE 87 HB ILE 87 -1.005 -3.308 8.965 689 HG12 ILE 87 2HG1 ILE 87 -0.138 -2.143 11.624 690 HG13 ILE 87 1HG1 ILE 87 0.909 -3.171 10.644 691 HG21 ILE 87 1HG2 ILE 87 -2.392 -1.943 11.281 692 HG22 ILE 87 2HG2 ILE 87 -3.273 -2.859 10.059 693 HG23 ILE 87 3HG2 ILE 87 -2.345 -1.433 9.594 694 HD11 ILE 87 1HD1 ILE 87 0.811 -0.469 10.392 695 HD12 ILE 87 2HD1 ILE 87 -0.399 -0.939 9.199 696 HD13 ILE 87 3HD1 ILE 87 1.250 -1.550 9.072 697 H ASP 88 H ASP 88 -0.034 -3.904 12.812 698 HA ASP 88 HA ASP 88 -2.434 -4.070 14.579 699 HB2 ASP 88 2HB ASP 88 -0.605 -5.537 15.254 700 HB3 ASP 88 1HB ASP 88 0.503 -4.169 15.289 701 H GLY 89 H GLY 89 -2.249 -2.490 16.493 702 HA2 GLY 89 2HA GLY 89 -2.427 0.166 15.530 703 HA3 GLY 89 1HA GLY 89 -2.256 -0.263 17.232 704 H HIS 90 H HIS 90 0.340 -1.559 16.941 705 HA HIS 90 HA HIS 90 1.990 0.891 16.485 706 HB2 HIS 90 2HB HIS 90 1.802 -0.760 18.733 707 HB3 HIS 90 1HB HIS 90 3.326 -1.216 17.979 708 HD1 HIS 90 1HD HIS 90 2.567 0.797 20.578 709 HD2 HIS 90 2HD HIS 90 4.309 1.717 16.901 710 HE1 HIS 90 1HE HIS 90 3.835 2.968 20.909 711 HE2 HIS 90 2HE HIS 90 4.900 3.536 18.677 712 H TRP 91 H TRP 91 1.325 -0.711 14.260 713 HA TRP 91 HA TRP 91 2.334 -1.809 12.454 714 HB2 TRP 91 2HB TRP 91 4.690 -0.502 13.813 715 HB3 TRP 91 1HB TRP 91 4.880 -1.452 12.341 716 HD1 TRP 91 HD TRP 91 3.079 -0.677 10.306 717 HE1 TRP 91 1HE TRP 91 2.541 1.727 9.559 718 HE3 TRP 91 3HE TRP 91 4.555 1.895 14.443 719 HZ2 TRP 91 2HZ TRP 91 2.735 4.387 10.592 720 HZ3 TRP 91 3HZ TRP 91 4.380 4.356 14.546 721 HH2 TRP 91 HH TRP 91 3.466 5.613 12.616 722 H GLN 92 H GLN 92 2.010 -3.314 15.069 723 HA GLN 92 HA GLN 92 4.297 -5.205 14.848 724 HB2 GLN 92 2HB GLN 92 2.045 -5.057 16.875 725 HB3 GLN 92 1HB GLN 92 3.386 -6.204 16.924 726 HG2 GLN 92 2HG GLN 92 4.991 -4.333 17.061 727 HG3 GLN 92 1HG GLN 92 3.653 -3.191 16.997 728 HE21 GLN 92 1HE2 GLN 92 5.386 -3.212 19.250 729 HE22 GLN 92 2HE2 GLN 92 4.527 -3.785 20.598 730 H SER 93 H SER 93 3.919 -7.448 14.444 731 HA SER 93 HA SER 93 1.573 -7.927 12.736 732 HB2 SER 93 2HB SER 93 2.696 -9.906 12.037 733 HB3 SER 93 1HB SER 93 3.966 -8.700 12.235 734 HG SER 93 HG SER 93 4.571 -10.600 13.271 735 H VAL 94 H VAL 94 0.033 -9.597 13.130 736 HA VAL 94 HA VAL 94 0.085 -10.926 15.778 737 HB VAL 94 HB VAL 94 -2.516 -10.176 15.748 738 HG11 VAL 94 1HG1 VAL 94 -0.069 -8.846 16.899 739 HG12 VAL 94 2HG1 VAL 94 -1.273 -9.843 17.717 740 HG13 VAL 94 3HG1 VAL 94 -1.677 -8.198 17.225 741 HG21 VAL 94 1HG2 VAL 94 -2.807 -7.961 14.942 742 HG22 VAL 94 2HG2 VAL 94 -1.928 -8.787 13.654 743 HG23 VAL 94 3HG2 VAL 94 -1.071 -7.715 14.760 744 HA PRO 95 HA PRO 95 -1.569 -14.375 13.600 745 HB2 PRO 95 2HB PRO 95 -3.682 -15.080 15.321 746 HB3 PRO 95 1HB PRO 95 -2.006 -15.642 15.440 747 HG2 PRO 95 2HG PRO 95 -3.401 -13.516 16.953 748 HG3 PRO 95 1HG PRO 95 -2.088 -14.593 17.457 749 HD2 PRO 95 2HD PRO 95 -1.664 -11.973 16.871 750 HD3 PRO 95 1HD PRO 95 -0.438 -13.224 16.563 751 H ASP 96 H ASP 96 -3.893 -11.974 14.741 752 HA ASP 96 HA ASP 96 -5.228 -11.974 12.141 753 HB2 ASP 96 2HB ASP 96 -6.555 -13.072 14.608 754 HB3 ASP 96 1HB ASP 96 -7.513 -12.295 13.346 755 H ASP 97 H ASP 97 -6.404 -10.017 11.840 756 HA ASP 97 HA ASP 97 -6.008 -8.035 14.026 757 HB2 ASP 97 2HB ASP 97 -6.356 -7.736 11.038 758 HB3 ASP 97 1HB ASP 97 -6.399 -6.374 12.155 759 H ASP 98 H ASP 98 -7.804 -7.595 15.187 760 HA ASP 98 HA ASP 98 -10.457 -8.330 14.293 761 HB2 ASP 98 2HB ASP 98 -9.498 -6.633 16.605 762 HB3 ASP 98 1HB ASP 98 -11.176 -7.110 16.360 763 H ARG 99 H ARG 99 -8.467 -5.492 14.127 764 HA ARG 99 HA ARG 99 -10.739 -3.819 13.224 765 HB2 ARG 99 2HB ARG 99 -8.753 -2.080 13.170 766 HB3 ARG 99 1HB ARG 99 -9.465 -2.552 14.715 767 HG2 ARG 99 2HG ARG 99 -7.698 -4.153 15.115 768 HG3 ARG 99 1HG ARG 99 -7.048 -3.913 13.494 769 HD2 ARG 99 2HD ARG 99 -5.667 -2.624 14.963 770 HD3 ARG 99 1HD ARG 99 -6.706 -1.471 14.126 771 HE ARG 99 HE ARG 99 -8.149 -1.981 16.389 772 HH11 ARG 99 1HH1 ARG 99 -7.847 -0.932 18.370 773 HH12 ARG 99 2HH1 ARG 99 -6.296 -0.265 18.754 774 HH21 ARG 99 1HH2 ARG 99 -4.835 -1.258 15.770 775 HH22 ARG 99 2HH2 ARG 99 -4.590 -0.451 17.283 776 H ALA 100 H ALA 100 -9.770 -5.994 11.548 777 HA ALA 100 HA ALA 100 -8.158 -4.701 9.452 778 HB1 ALA 100 1HB ALA 100 -9.193 -7.174 8.530 779 HB2 ALA 100 2HB ALA 100 -8.776 -7.400 10.228 780 HB3 ALA 100 3HB ALA 100 -7.555 -6.835 9.089 781 H SER 101 H SER 101 -8.919 -4.083 7.446 782 HA SER 101 HA SER 101 -11.872 -4.268 6.994 783 HB2 SER 101 2HB SER 101 -10.039 -1.936 6.368 784 HB3 SER 101 1HB SER 101 -11.743 -2.029 5.935 785 HG SER 101 HG SER 101 -10.553 -1.916 8.501 786 H GLU 102 H GLU 102 -12.352 -3.883 4.551 787 HA GLU 102 HA GLU 102 -10.291 -5.384 2.991 788 HB2 GLU 102 2HB GLU 102 -13.265 -5.069 2.491 789 HB3 GLU 102 1HB GLU 102 -12.156 -6.024 1.507 790 HG2 GLU 102 2HG GLU 102 -11.611 -7.407 3.499 791 HG3 GLU 102 1HG GLU 102 -12.788 -6.486 4.436 792 H ILE 103 H ILE 103 -9.501 -4.534 1.093 793 HA ILE 103 HA ILE 103 -10.537 -1.846 0.279 794 HB ILE 103 HB ILE 103 -7.681 -2.860 0.129 795 HG12 ILE 103 2HG1 ILE 103 -8.902 -0.727 1.911 796 HG13 ILE 103 1HG1 ILE 103 -8.499 -2.361 2.444 797 HG21 ILE 103 1HG2 ILE 103 -7.936 -0.027 -0.106 798 HG22 ILE 103 2HG2 ILE 103 -9.068 -0.763 -1.240 799 HG23 ILE 103 3HG2 ILE 103 -7.355 -1.169 -1.318 800 HD11 ILE 103 1HD1 ILE 103 -6.135 -1.757 1.398 801 HD12 ILE 103 2HD1 ILE 103 -6.551 -1.247 3.034 802 HD13 ILE 103 3HD1 ILE 103 -6.676 -0.106 1.696 803 H GLU 104 H GLU 104 -10.893 -1.572 -1.924 804 HA GLU 104 HA GLU 104 -10.429 -3.996 -3.618 805 HB2 GLU 104 2HB GLU 104 -12.489 -1.789 -3.917 806 HB3 GLU 104 1HB GLU 104 -12.312 -3.173 -4.994 807 HG2 GLU 104 2HG GLU 104 -12.728 -4.693 -3.068 808 HG3 GLU 104 1HG GLU 104 -12.989 -3.283 -2.040 809 H VAL 105 H VAL 105 -8.960 -3.759 -5.214 810 HA VAL 105 HA VAL 105 -8.450 -1.024 -6.281 811 HB VAL 105 HB VAL 105 -6.330 -3.131 -5.789 812 HG11 VAL 105 1HG1 VAL 105 -4.774 -1.345 -6.324 813 HG12 VAL 105 2HG1 VAL 105 -6.092 -0.180 -6.441 814 HG13 VAL 105 3HG1 VAL 105 -5.948 -1.469 -7.635 815 HG21 VAL 105 1HG2 VAL 105 -5.800 -0.952 -4.153 816 HG22 VAL 105 2HG2 VAL 105 -6.479 -2.491 -3.623 817 HG23 VAL 105 3HG2 VAL 105 -7.548 -1.144 -4.015 818 H ASP 106 H ASP 106 -8.373 -0.954 -8.529 819 HA ASP 106 HA ASP 106 -8.487 -3.597 -9.925 820 HB2 ASP 106 2HB ASP 106 -9.721 -0.967 -10.781 821 HB3 ASP 106 1HB ASP 106 -9.849 -2.500 -11.648 822 H PHE 107 H PHE 107 -6.939 -3.967 -11.464 823 HA PHE 107 HA PHE 107 -5.242 -1.646 -12.276 824 HB2 PHE 107 2HB PHE 107 -4.571 -4.581 -11.961 825 HB3 PHE 107 1HB PHE 107 -3.490 -3.396 -12.686 826 HD1 PHE 107 1HD PHE 107 -5.485 -4.017 -9.584 827 HD2 PHE 107 2HD PHE 107 -2.034 -2.154 -11.335 828 HE1 PHE 107 1HE PHE 107 -4.679 -3.395 -7.327 829 HE2 PHE 107 2HE PHE 107 -1.230 -1.522 -9.074 830 HZ PHE 107 HZ PHE 107 -2.548 -2.146 -7.068 831 H VAL 108 H VAL 108 -5.489 -1.108 -14.379 832 HA VAL 108 HA VAL 108 -6.304 -3.237 -16.311 833 HB VAL 108 HB VAL 108 -6.931 -0.354 -16.781 834 HG11 VAL 108 1HG1 VAL 108 -8.875 -1.395 -17.942 835 HG12 VAL 108 2HG1 VAL 108 -8.268 -2.984 -17.476 836 HG13 VAL 108 3HG1 VAL 108 -7.328 -1.968 -18.570 837 HG21 VAL 108 1HG2 VAL 108 -9.184 -0.876 -15.663 838 HG22 VAL 108 2HG2 VAL 108 -7.819 -0.592 -14.582 839 HG23 VAL 108 3HG2 VAL 108 -8.363 -2.240 -14.902 840 HA PRO 109 HA PRO 109 -2.411 -1.739 -18.076 841 HB2 PRO 109 2HB PRO 109 -2.072 -3.623 -19.969 842 HB3 PRO 109 1HB PRO 109 -1.828 -3.969 -18.248 843 HG2 PRO 109 2HG PRO 109 -4.133 -4.632 -19.999 844 HG3 PRO 109 1HG PRO 109 -3.387 -5.586 -18.707 845 HD2 PRO 109 2HD PRO 109 -5.721 -4.098 -18.418 846 HD3 PRO 109 1HD PRO 109 -4.667 -4.602 -17.077 847 H ASN 110 H ASN 110 -2.099 -0.216 -19.602 848 HA ASN 110 HA ASN 110 -3.927 -0.162 -21.955 849 HB2 ASN 110 2HB ASN 110 -4.329 1.699 -20.364 850 HB3 ASN 110 1HB ASN 110 -2.644 2.176 -20.541 851 HD21 ASN 110 1HD2 ASN 110 -5.615 1.659 -22.501 852 HD22 ASN 110 2HD2 ASN 110 -5.225 2.820 -23.676 853 H GLY 111 H GLY 111 -2.929 0.103 -23.969 854 HA2 GLY 111 2HA GLY 111 -0.131 -0.565 -24.138 855 HA3 GLY 111 1HA GLY 111 -1.149 -0.080 -25.496 856 H SER 112 H SER 112 1.220 0.961 -25.772 857 HA SER 112 HA SER 112 2.354 3.000 -26.020 858 HB2 SER 112 2HB SER 112 -0.221 3.690 -26.277 859 HB3 SER 112 1HB SER 112 0.128 4.533 -24.772 860 HG SER 112 HG SER 112 1.966 4.728 -26.867 861 H GLY 113 H GLY 113 1.877 1.487 -23.270 862 HA2 GLY 113 2HA GLY 113 3.004 1.689 -21.201 863 HA3 GLY 113 1HA GLY 113 3.681 3.220 -21.772 864 H GLY 114 H GLY 114 0.519 1.854 -20.786 865 HA2 GLY 114 2HA GLY 114 0.088 4.297 -19.161 866 HA3 GLY 114 1HA GLY 114 -1.146 3.847 -20.333 867 H THR 115 H THR 115 -1.047 3.882 -17.274 868 HA THR 115 HA THR 115 -2.199 1.158 -16.923 869 HB THR 115 HB THR 115 -1.019 2.186 -14.471 870 HG1 THR 115 1HG THR 115 0.450 3.116 -15.952 871 HG21 THR 115 1HG2 THR 115 -0.775 -0.333 -16.124 872 HG22 THR 115 2HG2 THR 115 -1.546 -0.114 -14.552 873 HG23 THR 115 3HG2 THR 115 0.209 -0.071 -14.689 874 H ARG 116 H ARG 116 -4.286 1.400 -16.312 875 HA ARG 116 HA ARG 116 -5.051 3.912 -14.889 876 HB2 ARG 116 2HB ARG 116 -6.258 3.341 -17.012 877 HB3 ARG 116 1HB ARG 116 -6.859 1.881 -16.217 878 HG2 ARG 116 2HG ARG 116 -8.008 3.169 -14.543 879 HG3 ARG 116 1HG ARG 116 -7.243 4.663 -15.087 880 HD2 ARG 116 2HD ARG 116 -8.361 4.454 -17.256 881 HD3 ARG 116 1HD ARG 116 -9.130 2.960 -16.725 882 HE ARG 116 HE ARG 116 -10.608 4.246 -15.364 883 HH11 ARG 116 1HH1 ARG 116 -11.534 6.228 -14.801 884 HH12 ARG 116 2HH1 ARG 116 -10.721 7.699 -15.216 885 HH21 ARG 116 1HH2 ARG 116 -8.046 6.103 -16.739 886 HH22 ARG 116 2HH2 ARG 116 -8.747 7.628 -16.314 887 H VAL 117 H VAL 117 -5.194 3.645 -12.709 888 HA VAL 117 HA VAL 117 -6.061 0.969 -11.706 889 HB VAL 117 HB VAL 117 -4.128 2.899 -10.412 890 HG11 VAL 117 1HG1 VAL 117 -5.309 0.245 -9.564 891 HG12 VAL 117 2HG1 VAL 117 -5.342 1.774 -8.686 892 HG13 VAL 117 3HG1 VAL 117 -3.827 0.886 -8.856 893 HG21 VAL 117 1HG2 VAL 117 -3.820 0.713 -12.311 894 HG22 VAL 117 2HG2 VAL 117 -2.952 0.384 -10.811 895 HG23 VAL 117 3HG2 VAL 117 -2.611 1.854 -11.723 896 H GLU 118 H GLU 118 -7.647 0.912 -10.190 897 HA GLU 118 HA GLU 118 -8.686 3.548 -9.212 898 HB2 GLU 118 2HB GLU 118 -10.262 1.021 -9.813 899 HB3 GLU 118 1HB GLU 118 -10.934 2.537 -9.212 900 HG2 GLU 118 2HG GLU 118 -10.123 3.686 -11.257 901 HG3 GLU 118 1HG GLU 118 -9.525 2.144 -11.868 902 H LEU 119 H LEU 119 -7.849 3.586 -7.144 903 HA LEU 119 HA LEU 119 -8.027 1.094 -5.533 904 HB2 LEU 119 2HB LEU 119 -5.827 2.321 -5.746 905 HB3 LEU 119 1HB LEU 119 -6.567 3.658 -4.870 906 HG LEU 119 HG LEU 119 -6.863 0.993 -3.601 907 HD11 LEU 119 1HD1 LEU 119 -4.580 0.981 -2.728 908 HD12 LEU 119 2HD1 LEU 119 -4.194 2.434 -3.650 909 HD13 LEU 119 3HD1 LEU 119 -4.531 0.921 -4.489 910 HD21 LEU 119 1HD2 LEU 119 -6.306 2.372 -1.594 911 HD22 LEU 119 2HD2 LEU 119 -7.657 3.036 -2.510 912 HD23 LEU 119 3HD2 LEU 119 -6.057 3.762 -2.649 913 H ALA 120 H ALA 120 -9.620 0.943 -4.041 914 HA ALA 120 HA ALA 120 -10.714 3.472 -2.887 915 HB1 ALA 120 1HB ALA 120 -12.614 1.226 -3.220 916 HB2 ALA 120 2HB ALA 120 -12.105 2.008 -4.718 917 HB3 ALA 120 3HB ALA 120 -12.868 2.957 -3.441 918 H HIS 121 H HIS 121 -10.227 3.363 -0.744 919 HA HIS 121 HA HIS 121 -10.288 0.683 0.578 920 HB2 HIS 121 2HB HIS 121 -8.805 1.540 2.220 921 HB3 HIS 121 1HB HIS 121 -8.186 2.167 0.696 922 HD1 HIS 121 1HD HIS 121 -10.051 3.238 3.798 923 HD2 HIS 121 2HD HIS 121 -8.374 4.971 0.395 924 HE1 HIS 121 1HE HIS 121 -10.023 5.743 4.208 925 HE2 HIS 121 2HE HIS 121 -9.023 6.804 2.133 926 H VAL 122 H VAL 122 -11.828 0.324 2.159 927 HA VAL 122 HA VAL 122 -13.465 2.687 2.979 928 HB VAL 122 HB VAL 122 -15.474 1.265 2.793 929 HG11 VAL 122 1HG1 VAL 122 -15.720 1.744 0.569 930 HG12 VAL 122 2HG1 VAL 122 -14.221 0.927 0.125 931 HG13 VAL 122 3HG1 VAL 122 -14.172 2.558 0.794 932 HG21 VAL 122 1HG2 VAL 122 -14.354 -0.794 1.116 933 HG22 VAL 122 2HG2 VAL 122 -15.276 -0.976 2.607 934 HG23 VAL 122 3HG2 VAL 122 -13.522 -0.800 2.671 935 H LYS 123 H LYS 123 -14.504 2.551 4.960 936 HA LYS 123 HA LYS 123 -14.704 2.044 7.220 937 HB2 LYS 123 2HB LYS 123 -14.088 -0.813 6.512 938 HB3 LYS 123 1HB LYS 123 -15.211 -0.190 7.721 939 HG2 LYS 123 2HG LYS 123 -15.529 -0.098 4.707 940 HG3 LYS 123 1HG LYS 123 -16.529 -0.974 5.858 941 HD2 LYS 123 2HD LYS 123 -17.238 1.192 6.858 942 HD3 LYS 123 1HD LYS 123 -16.292 2.046 5.638 943 HE2 LYS 123 2HE LYS 123 -17.948 1.851 4.147 944 HE3 LYS 123 1HE LYS 123 -17.955 0.097 4.340 945 HZ1 LYS 123 1HZ LYS 123 -19.488 0.228 6.085 946 HZ2 LYS 123 2HZ LYS 123 -20.075 1.319 4.923 947 HZ3 LYS 123 3HZ LYS 123 -19.257 1.894 6.296 948 H LEU 124 H LEU 124 -11.977 2.711 6.234 949 HA LEU 124 HA LEU 124 -10.129 0.996 7.664 950 HB2 LEU 124 2HB LEU 124 -9.944 3.777 6.502 951 HB3 LEU 124 1HB LEU 124 -8.637 3.120 7.480 952 HG LEU 124 HG LEU 124 -9.736 1.916 4.919 953 HD11 LEU 124 1HD1 LEU 124 -7.802 2.723 3.869 954 HD12 LEU 124 2HD1 LEU 124 -6.924 2.873 5.387 955 HD13 LEU 124 3HD1 LEU 124 -8.178 4.039 4.977 956 HD21 LEU 124 1HD2 LEU 124 -7.930 0.899 7.057 957 HD22 LEU 124 2HD2 LEU 124 -7.400 0.626 5.397 958 HD23 LEU 124 3HD2 LEU 124 -8.959 0.007 5.937 959 H HIS 125 H HIS 125 -11.914 3.954 8.350 960 HA HIS 125 HA HIS 125 -10.804 4.812 10.735 961 HB2 HIS 125 2HB HIS 125 -12.685 5.987 9.770 962 HB3 HIS 125 1HB HIS 125 -13.734 4.595 10.036 963 HD1 HIS 125 1HD HIS 125 -11.278 6.325 12.390 964 HD2 HIS 125 2HD HIS 125 -15.316 5.294 12.197 965 HE1 HIS 125 1HE HIS 125 -12.288 6.958 14.626 966 HE2 HIS 125 2HE HIS 125 -14.748 6.344 14.516 967 H ARG 126 H ARG 126 -12.068 1.734 10.155 968 HA ARG 126 HA ARG 126 -13.244 0.994 12.575 969 HB2 ARG 126 2HB ARG 126 -13.026 -0.553 10.676 970 HB3 ARG 126 1HB ARG 126 -11.283 -0.594 10.901 971 HG2 ARG 126 2HG ARG 126 -12.151 -2.582 11.921 972 HG3 ARG 126 1HG ARG 126 -11.710 -1.502 13.239 973 HD2 ARG 126 2HD ARG 126 -14.022 -0.831 13.534 974 HD3 ARG 126 1HD ARG 126 -14.510 -1.736 12.100 975 HE ARG 126 HE ARG 126 -13.408 -3.695 13.643 976 HH11 ARG 126 1HH1 ARG 126 -14.494 -4.824 15.273 977 HH12 ARG 126 2HH1 ARG 126 -15.820 -4.070 16.093 978 HH21 ARG 126 1HH2 ARG 126 -15.611 -1.120 14.280 979 HH22 ARG 126 2HH2 ARG 126 -16.453 -1.974 15.531 980 H HIS 127 H HIS 127 -9.833 1.532 11.830 981 HA HIS 127 HA HIS 127 -9.038 0.711 14.543 982 HB2 HIS 127 2HB HIS 127 -6.750 1.421 13.781 983 HB3 HIS 127 1HB HIS 127 -7.478 0.166 12.784 984 HD1 HIS 127 1HD HIS 127 -9.308 2.984 11.831 985 HD2 HIS 127 2HD HIS 127 -5.393 1.770 11.063 986 HE1 HIS 127 1HE HIS 127 -8.581 4.190 9.730 987 HE2 HIS 127 2HE HIS 127 -6.194 3.479 9.262 988 H GLY 128 H GLY 128 -9.770 3.627 12.781 989 HA2 GLY 128 2HA GLY 128 -9.589 5.903 13.411 990 HA3 GLY 128 1HA GLY 128 -10.383 5.286 14.860 991 H ASP 129 H ASP 129 -9.298 6.689 16.285 992 HA ASP 129 HA ASP 129 -7.517 7.505 17.588 993 HB2 ASP 129 2HB ASP 129 -6.594 4.653 17.103 994 HB3 ASP 129 1HB ASP 129 -5.946 5.728 18.343 995 H GLY 130 H GLY 130 -4.733 6.217 17.161 996 HA2 GLY 130 2HA GLY 130 -3.775 8.216 15.288 997 HA3 GLY 130 1HA GLY 130 -2.796 6.944 16.034 998 H ALA 131 H ALA 131 -5.709 6.675 14.034 999 HA ALA 131 HA ALA 131 -4.826 4.425 12.575 1000 HB1 ALA 131 1HB ALA 131 -6.940 6.496 12.236 1001 HB2 ALA 131 2HB ALA 131 -7.087 4.741 12.322 1002 HB3 ALA 131 3HB ALA 131 -6.543 5.510 10.831 1003 H TRP 132 H TRP 132 -4.926 7.836 11.397 1004 HA TRP 132 HA TRP 132 -3.513 7.269 8.995 1005 HB2 TRP 132 2HB TRP 132 -4.721 9.427 9.483 1006 HB3 TRP 132 1HB TRP 132 -3.368 9.881 10.524 1007 HD1 TRP 132 HD TRP 132 -0.960 10.161 9.338 1008 HE1 TRP 132 1HE TRP 132 -0.343 10.806 6.921 1009 HE3 TRP 132 3HE TRP 132 -5.442 9.306 7.008 1010 HZ2 TRP 132 2HZ TRP 132 -1.575 10.943 4.351 1011 HZ3 TRP 132 3HZ TRP 132 -5.680 9.705 4.577 1012 HH2 TRP 132 HH TRP 132 -3.756 10.523 3.246 1013 H ASN 133 H ASN 133 -2.387 7.769 12.288 1014 HA ASN 133 HA ASN 133 0.355 8.296 11.777 1015 HB2 ASN 133 2HB ASN 133 -0.886 8.101 14.054 1016 HB3 ASN 133 1HB ASN 133 -0.558 6.374 13.924 1017 HD21 ASN 133 1HD2 ASN 133 0.754 7.166 16.018 1018 HD22 ASN 133 2HD2 ASN 133 2.376 7.571 15.729 1019 H ILE 134 H ILE 134 -1.447 5.246 11.903 1020 HA ILE 134 HA ILE 134 0.719 3.480 11.386 1021 HB ILE 134 HB ILE 134 -2.188 3.290 10.566 1022 HG12 ILE 134 2HG1 ILE 134 -0.724 2.124 12.955 1023 HG13 ILE 134 1HG1 ILE 134 -1.758 3.555 13.017 1024 HG21 ILE 134 1HG2 ILE 134 -0.996 0.763 11.049 1025 HG22 ILE 134 2HG2 ILE 134 0.074 1.646 9.960 1026 HG23 ILE 134 3HG2 ILE 134 -1.614 1.391 9.522 1027 HD11 ILE 134 1HD1 ILE 134 -3.194 1.476 11.674 1028 HD12 ILE 134 2HD1 ILE 134 -3.574 2.244 13.215 1029 HD13 ILE 134 3HD1 ILE 134 -2.543 0.815 13.173 1030 H HIS 135 H HIS 135 -1.477 5.301 9.294 1031 HA HIS 135 HA HIS 135 -0.440 4.396 6.776 1032 HB2 HIS 135 2HB HIS 135 -2.611 5.546 6.952 1033 HB3 HIS 135 1HB HIS 135 -1.800 7.009 7.506 1034 HD1 HIS 135 1HD HIS 135 0.408 5.692 5.090 1035 HD2 HIS 135 2HD HIS 135 -3.210 7.747 4.862 1036 HE1 HIS 135 1HE HIS 135 0.305 6.671 2.757 1037 HE2 HIS 135 2HE HIS 135 -1.919 7.897 2.590 1038 H LYS 136 H LYS 136 0.518 6.913 9.046 1039 HA LYS 136 HA LYS 136 2.219 8.441 7.410 1040 HB2 LYS 136 2HB LYS 136 1.694 8.869 9.854 1041 HB3 LYS 136 1HB LYS 136 2.866 7.621 10.244 1042 HG2 LYS 136 2HG LYS 136 4.601 8.867 9.041 1043 HG3 LYS 136 1HG LYS 136 3.435 10.130 8.672 1044 HD2 LYS 136 2HD LYS 136 3.073 10.422 11.143 1045 HD3 LYS 136 1HD LYS 136 4.397 9.289 11.418 1046 HE2 LYS 136 2HE LYS 136 5.993 10.745 10.430 1047 HE3 LYS 136 1HE LYS 136 4.740 11.748 9.697 1048 HZ1 LYS 136 1HZ LYS 136 5.688 11.677 12.462 1049 HZ2 LYS 136 2HZ LYS 136 4.044 12.014 12.203 1050 HZ3 LYS 136 3HZ LYS 136 5.237 13.003 11.506 1051 H ALA 137 H ALA 137 2.761 5.287 8.945 1052 HA ALA 137 HA ALA 137 5.536 5.098 8.165 1053 HB1 ALA 137 1HB ALA 137 4.969 2.545 8.238 1054 HB2 ALA 137 2HB ALA 137 3.430 3.091 8.891 1055 HB3 ALA 137 3HB ALA 137 4.931 3.469 9.739 1056 H LEU 138 H LEU 138 2.470 4.083 6.692 1057 HA LEU 138 HA LEU 138 3.662 2.982 4.308 1058 HB2 LEU 138 2HB LEU 138 0.875 4.093 4.779 1059 HB3 LEU 138 1HB LEU 138 1.367 3.146 3.378 1060 HG LEU 138 HG LEU 138 1.475 2.200 6.255 1061 HD11 LEU 138 1HD1 LEU 138 -0.514 1.086 5.895 1062 HD12 LEU 138 2HD1 LEU 138 -0.245 0.953 4.156 1063 HD13 LEU 138 3HD1 LEU 138 -0.783 2.482 4.852 1064 HD21 LEU 138 1HD2 LEU 138 3.131 0.938 5.243 1065 HD22 LEU 138 2HD2 LEU 138 2.419 1.103 3.637 1066 HD23 LEU 138 3HD2 LEU 138 1.726 -0.030 4.798 1067 H ASP 139 H ASP 139 3.495 6.046 5.544 1068 HA ASP 139 HA ASP 139 4.017 8.141 4.699 1069 HB2 ASP 139 2HB ASP 139 5.036 6.374 2.490 1070 HB3 ASP 139 1HB ASP 139 5.170 8.125 2.415 1071 H GLY 140 H GLY 140 2.099 9.179 4.477 1072 HA2 GLY 140 2HA GLY 140 0.719 8.942 1.836 1073 HA3 GLY 140 1HA GLY 140 -0.151 9.242 3.341 1074 HA PRO 141 HA PRO 141 2.661 13.165 2.195 1075 HB2 PRO 141 2HB PRO 141 2.209 12.922 -0.740 1076 HB3 PRO 141 1HB PRO 141 3.648 13.471 0.141 1077 HG2 PRO 141 2HG PRO 141 3.552 11.077 -1.017 1078 HG3 PRO 141 1HG PRO 141 4.399 11.341 0.516 1079 HD2 PRO 141 2HD PRO 141 1.776 9.995 0.024 1080 HD3 PRO 141 1HD PRO 141 3.001 9.664 1.266 1081 H SER 142 H SER 142 1.615 15.159 2.096 1082 HA SER 142 HA SER 142 -1.286 15.081 1.679 1083 HB2 SER 142 2HB SER 142 -1.215 16.722 3.212 1084 HB3 SER 142 1HB SER 142 0.545 16.646 3.193 1085 HG SER 142 HG SER 142 0.278 18.617 2.443 1086 HA PRO 143 HA PRO 143 0.103 18.181 -1.789 1087 HB2 PRO 143 2HB PRO 143 2.831 17.366 -2.461 1088 HB3 PRO 143 1HB PRO 143 2.219 18.974 -2.031 1089 HG2 PRO 143 2HG PRO 143 3.847 17.501 -0.433 1090 HG3 PRO 143 1HG PRO 143 2.702 18.710 0.168 1091 HD2 PRO 143 2HD PRO 143 2.472 15.725 0.180 1092 HD3 PRO 143 1HD PRO 143 1.888 16.910 1.370 1093 H GLY 144 H GLY 144 2.301 15.424 -2.419 1094 HA2 GLY 144 2HA GLY 144 0.797 14.861 -4.894 1095 HA3 GLY 144 1HA GLY 144 2.339 14.135 -4.435 1096 H GLU 145 H GLU 145 0.712 12.287 -5.283 1097 HA GLU 145 HA GLU 145 -0.539 11.098 -2.849 1098 HB2 GLU 145 2HB GLU 145 -1.330 10.710 -5.739 1099 HB3 GLU 145 1HB GLU 145 -2.073 9.898 -4.363 1100 HG2 GLU 145 2HG GLU 145 -2.659 12.148 -3.425 1101 HG3 GLU 145 1HG GLU 145 -2.052 12.878 -4.912 1102 H THR 146 H THR 146 -0.627 8.605 -3.088 1103 HA THR 146 HA THR 146 2.009 7.588 -3.214 1104 HB THR 146 HB THR 146 -0.637 6.169 -3.499 1105 HG1 THR 146 1HG THR 146 -0.520 5.963 -1.364 1106 HG21 THR 146 1HG2 THR 146 1.018 4.724 -4.430 1107 HG22 THR 146 2HG2 THR 146 0.734 4.159 -2.782 1108 HG23 THR 146 3HG2 THR 146 2.169 5.114 -3.151 1109 H LEU 147 H LEU 147 -0.506 7.727 -5.691 1110 HA LEU 147 HA LEU 147 0.839 6.076 -7.594 1111 HB2 LEU 147 2HB LEU 147 -1.124 8.332 -8.086 1112 HB3 LEU 147 1HB LEU 147 -0.678 7.075 -9.232 1113 HG LEU 147 HG LEU 147 -1.372 5.456 -7.251 1114 HD11 LEU 147 1HD1 LEU 147 -3.641 7.098 -6.640 1115 HD12 LEU 147 2HD1 LEU 147 -2.186 8.000 -6.226 1116 HD13 LEU 147 3HD1 LEU 147 -2.460 6.408 -5.533 1117 HD21 LEU 147 1HD2 LEU 147 -3.837 5.801 -8.227 1118 HD22 LEU 147 2HD2 LEU 147 -2.540 5.126 -9.217 1119 HD23 LEU 147 3HD2 LEU 147 -2.969 6.827 -9.368 1120 H ALA 148 H ALA 148 1.081 9.501 -6.812 1121 HA ALA 148 HA ALA 148 2.476 10.306 -9.178 1122 HB1 ALA 148 1HB ALA 148 2.190 12.315 -8.238 1123 HB2 ALA 148 2HB ALA 148 3.288 11.882 -6.926 1124 HB3 ALA 148 3HB ALA 148 1.566 11.522 -6.791 1125 H ARG 149 H ARG 149 3.785 9.500 -5.936 1126 HA ARG 149 HA ARG 149 6.495 9.948 -6.702 1127 HB2 ARG 149 2HB ARG 149 6.904 8.332 -4.669 1128 HB3 ARG 149 1HB ARG 149 6.225 9.936 -4.405 1129 HG2 ARG 149 2HG ARG 149 4.195 9.111 -3.791 1130 HG3 ARG 149 1HG ARG 149 4.241 7.839 -5.012 1131 HD2 ARG 149 2HD ARG 149 5.478 6.392 -3.654 1132 HD3 ARG 149 1HD ARG 149 6.072 7.701 -2.633 1133 HE ARG 149 HE ARG 149 3.388 7.780 -2.136 1134 HH11 ARG 149 1HH1 ARG 149 2.320 6.494 -0.613 1135 HH12 ARG 149 2HH1 ARG 149 2.987 4.956 -0.179 1136 HH21 ARG 149 1HH2 ARG 149 5.718 5.245 -2.297 1137 HH22 ARG 149 2HH2 ARG 149 4.911 4.249 -1.132 1138 H PHE 150 H PHE 150 4.686 6.846 -6.513 1139 HA PHE 150 HA PHE 150 6.999 5.356 -7.432 1140 HB2 PHE 150 2HB PHE 150 5.791 3.524 -6.914 1141 HB3 PHE 150 1HB PHE 150 4.657 4.662 -6.184 1142 HD1 PHE 150 1HD PHE 150 3.028 5.805 -7.989 1143 HD2 PHE 150 2HD PHE 150 4.945 1.996 -8.415 1144 HE1 PHE 150 1HE PHE 150 1.291 5.118 -9.623 1145 HE2 PHE 150 2HE PHE 150 3.219 1.305 -10.054 1146 HZ PHE 150 HZ PHE 150 1.397 2.866 -10.654 1147 H ALA 151 H ALA 151 4.178 6.773 -9.030 1148 HA ALA 151 HA ALA 151 4.554 5.440 -11.553 1149 HB1 ALA 151 1HB ALA 151 3.300 8.131 -10.959 1150 HB2 ALA 151 2HB ALA 151 2.454 6.581 -10.970 1151 HB3 ALA 151 3HB ALA 151 3.126 7.233 -12.464 1152 H ASN 152 H ASN 152 5.704 8.540 -10.275 1153 HA ASN 152 HA ASN 152 6.923 9.467 -12.678 1154 HB2 ASN 152 2HB ASN 152 7.611 11.227 -11.420 1155 HB3 ASN 152 1HB ASN 152 6.557 10.517 -10.199 1156 HD21 ASN 152 1HD2 ASN 152 7.545 9.327 -8.442 1157 HD22 ASN 152 2HD2 ASN 152 9.217 9.409 -8.144 1158 H VAL 153 H VAL 153 8.328 7.601 -9.974 1159 HA VAL 153 HA VAL 153 10.953 7.493 -11.132 1160 HB VAL 153 HB VAL 153 11.256 5.508 -9.599 1161 HG11 VAL 153 1HG1 VAL 153 9.949 7.756 -8.091 1162 HG12 VAL 153 2HG1 VAL 153 11.442 8.043 -8.984 1163 HG13 VAL 153 3HG1 VAL 153 11.406 6.852 -7.683 1164 HG21 VAL 153 1HG2 VAL 153 9.050 4.584 -9.563 1165 HG22 VAL 153 2HG2 VAL 153 8.352 6.120 -9.059 1166 HG23 VAL 153 3HG2 VAL 153 9.356 5.202 -7.941 1167 H ILE 154 H ILE 154 8.129 5.360 -11.366 1168 HA ILE 154 HA ILE 154 9.411 3.312 -12.890 1169 HB ILE 154 HB ILE 154 6.536 4.188 -12.645 1170 HG12 ILE 154 2HG1 ILE 154 8.035 1.776 -11.618 1171 HG13 ILE 154 1HG1 ILE 154 7.648 3.194 -10.661 1172 HG21 ILE 154 1HG2 ILE 154 6.685 3.160 -14.798 1173 HG22 ILE 154 2HG2 ILE 154 6.073 1.920 -13.707 1174 HG23 ILE 154 3HG2 ILE 154 7.766 1.907 -14.195 1175 HD11 ILE 154 1HD1 ILE 154 5.267 2.821 -10.960 1176 HD12 ILE 154 2HD1 ILE 154 6.004 1.348 -10.330 1177 HD13 ILE 154 3HD1 ILE 154 5.583 1.463 -12.037 1178 HBB 96F 201 HBB SUM 155 -2.532 12.372 0.367 1179 HBC 96F 201 HBC SUM 155 -3.806 12.113 -0.849 1180 HBA 96F 201 HBA SUM 155 -2.123 12.377 -1.365 1181 HA2 96F 201 2HA SUM 155 -2.533 10.086 0.489 1182 HA1 96F 201 1HA SUM 155 -1.526 10.205 -0.971 1183 HAY 96F 201 HAY SUM 155 -5.614 9.024 -1.067 1184 HAZ 96F 201 HAZ SUM 155 -5.241 10.593 -0.310 1185 HA0 96F 201 0HA SUM 155 -4.642 9.088 0.424 1186 HBE 96F 201 HBE SUM 155 -3.676 9.826 -3.345 1187 H1 96F 201 HAV SUM 155 -4.296 7.840 -3.544 1188 HAS 96F 201 HAS SUM 155 -6.137 6.007 -3.446 1189 HAT 96F 201 HAT SUM 155 -6.592 5.742 -5.147 1190 HAU 96F 201 HAU SUM 155 -5.602 7.151 -4.702 1191 HAK 96F 201 HAK SUM 155 -5.140 4.858 -6.711 1192 HAF 96F 201 HAF SUM 155 -2.301 2.268 -9.609 1193 HAE 96F 201 HAE SUM 155 -0.216 0.987 -9.988 1194 HAD 96F 201 HAD SUM 155 1.428 0.717 -8.145 1195 HAR 96F 201 HAR SUM 155 2.030 1.732 -5.999 1196 HAQ 96F 201 HAQ SUM 155 -2.525 3.005 -2.564 Start of MODEL 10 1 H MET 1 1HT MET 1 -4.143 15.794 8.235 2 HA MET 1 HA MET 1 -3.749 13.148 7.239 3 HB2 MET 1 2HB MET 1 -1.654 14.317 9.098 4 HB3 MET 1 1HB MET 1 -1.800 12.619 8.644 5 HG2 MET 1 2HG MET 1 -0.523 13.028 6.838 6 HG3 MET 1 1HG MET 1 -1.781 14.104 6.228 7 HE1 MET 1 1HE MET 1 1.099 14.142 5.593 8 HE2 MET 1 2HE MET 1 1.855 15.700 5.924 9 HE3 MET 1 3HE MET 1 0.358 15.635 4.997 10 HA PRO 2 HA PRO 2 -6.399 14.204 10.984 11 HB2 PRO 2 2HB PRO 2 -8.273 12.409 9.568 12 HB3 PRO 2 1HB PRO 2 -8.556 14.020 10.253 13 HG2 PRO 2 2HG PRO 2 -8.419 13.575 7.606 14 HG3 PRO 2 1HG PRO 2 -7.896 15.093 8.354 15 HD2 PRO 2 2HD PRO 2 -6.236 12.853 7.276 16 HD3 PRO 2 1HD PRO 2 -5.895 14.599 7.314 17 H GLU 3 H GLU 3 -6.751 12.808 12.746 18 HA GLU 3 HA GLU 3 -5.232 10.392 12.861 19 HB2 GLU 3 2HB GLU 3 -7.459 11.416 14.647 20 HB3 GLU 3 1HB GLU 3 -6.416 10.051 15.036 21 HG2 GLU 3 2HG GLU 3 -4.433 11.535 14.849 22 HG3 GLU 3 1HG GLU 3 -5.508 12.899 14.539 23 H GLU 4 H GLU 4 -8.576 11.060 12.038 24 HA GLU 4 HA GLU 4 -9.204 8.160 11.992 25 HB2 GLU 4 2HB GLU 4 -10.821 9.801 12.983 26 HB3 GLU 4 1HB GLU 4 -11.002 10.505 11.379 27 HG2 GLU 4 2HG GLU 4 -11.713 8.281 10.510 28 HG3 GLU 4 1HG GLU 4 -11.627 7.644 12.155 29 H ILE 5 H ILE 5 -9.629 7.059 10.076 30 HA ILE 5 HA ILE 5 -9.110 8.579 7.556 31 HB ILE 5 HB ILE 5 -8.724 5.679 7.441 32 HG12 ILE 5 2HG1 ILE 5 -7.967 6.078 9.753 33 HG13 ILE 5 1HG1 ILE 5 -6.621 5.677 8.696 34 HG21 ILE 5 1HG2 ILE 5 -6.629 6.415 6.354 35 HG22 ILE 5 2HG2 ILE 5 -7.018 8.080 6.782 36 HG23 ILE 5 3HG2 ILE 5 -8.049 7.195 5.659 37 HD11 ILE 5 1HD1 ILE 5 -6.903 7.980 10.306 38 HD12 ILE 5 2HD1 ILE 5 -7.078 8.513 8.636 39 HD13 ILE 5 3HD1 ILE 5 -5.631 7.640 9.134 40 HA PRO 6 HA PRO 6 -13.370 6.909 7.159 41 HB2 PRO 6 2HB PRO 6 -14.304 8.933 5.546 42 HB3 PRO 6 1HB PRO 6 -14.322 8.990 7.318 43 HG2 PRO 6 2HG PRO 6 -12.552 10.359 5.405 44 HG3 PRO 6 1HG PRO 6 -13.044 10.834 7.037 45 HD2 PRO 6 2HD PRO 6 -10.565 9.732 6.325 46 HD3 PRO 6 1HD PRO 6 -11.206 9.860 7.977 47 H ASP 7 H ASP 7 -14.594 6.245 5.147 48 HA ASP 7 HA ASP 7 -12.827 5.049 3.253 49 HB2 ASP 7 2HB ASP 7 -14.923 4.496 2.011 50 HB3 ASP 7 1HB ASP 7 -15.001 4.064 3.717 51 H VAL 8 H VAL 8 -11.897 5.884 1.501 52 HA VAL 8 HA VAL 8 -13.198 8.148 0.078 53 HB VAL 8 HB VAL 8 -11.467 9.075 1.639 54 HG11 VAL 8 1HG1 VAL 8 -9.350 8.257 1.725 55 HG12 VAL 8 2HG1 VAL 8 -9.253 8.074 -0.026 56 HG13 VAL 8 3HG1 VAL 8 -10.040 6.833 0.948 57 HG21 VAL 8 1HG2 VAL 8 -11.761 9.491 -1.181 58 HG22 VAL 8 2HG2 VAL 8 -10.062 9.706 -0.763 59 HG23 VAL 8 3HG2 VAL 8 -11.298 10.664 0.052 60 H ARG 9 H ARG 9 -12.894 8.037 -2.170 61 HA ARG 9 HA ARG 9 -11.221 5.743 -3.133 62 HB2 ARG 9 2HB ARG 9 -13.677 5.390 -3.400 63 HB3 ARG 9 1HB ARG 9 -13.744 6.847 -4.395 64 HG2 ARG 9 2HG ARG 9 -12.115 5.830 -5.966 65 HG3 ARG 9 1HG ARG 9 -12.115 4.360 -4.992 66 HD2 ARG 9 2HD ARG 9 -14.584 4.177 -5.356 67 HD3 ARG 9 1HD ARG 9 -14.490 5.564 -6.441 68 HE ARG 9 HE ARG 9 -12.656 3.904 -7.561 69 HH11 ARG 9 1HH1 ARG 9 -13.112 2.212 -8.988 70 HH12 ARG 9 2HH1 ARG 9 -14.657 1.432 -8.919 71 HH21 ARG 9 1HH2 ARG 9 -15.836 3.404 -6.324 72 HH22 ARG 9 2HH2 ARG 9 -16.198 2.107 -7.411 73 H LYS 10 H LYS 10 -9.569 6.343 -4.432 74 HA LYS 10 HA LYS 10 -9.854 8.847 -6.033 75 HB2 LYS 10 2HB LYS 10 -7.413 8.005 -4.437 76 HB3 LYS 10 1HB LYS 10 -7.485 9.386 -5.535 77 HG2 LYS 10 2HG LYS 10 -9.346 10.329 -4.157 78 HG3 LYS 10 1HG LYS 10 -9.133 8.997 -3.018 79 HD2 LYS 10 2HD LYS 10 -6.748 9.698 -2.720 80 HD3 LYS 10 1HD LYS 10 -7.068 11.096 -3.747 81 HE2 LYS 10 2HE LYS 10 -9.109 11.366 -2.007 82 HE3 LYS 10 1HE LYS 10 -7.947 10.555 -0.957 83 HZ1 LYS 10 1HZ LYS 10 -7.321 12.959 -2.577 84 HZ2 LYS 10 2HZ LYS 10 -6.336 12.232 -1.400 85 HZ3 LYS 10 3HZ LYS 10 -7.776 13.010 -0.945 86 H SER 11 H SER 11 -8.798 8.767 -8.066 87 HA SER 11 HA SER 11 -7.317 6.281 -8.732 88 HB2 SER 11 2HB SER 11 -8.658 5.916 -10.745 89 HB3 SER 11 1HB SER 11 -9.701 5.883 -9.323 90 HG SER 11 HG SER 11 -10.759 7.324 -10.463 91 H VAL 12 H VAL 12 -5.878 6.539 -10.494 92 HA VAL 12 HA VAL 12 -5.815 9.092 -11.947 93 HB VAL 12 HB VAL 12 -3.713 8.327 -9.933 94 HG11 VAL 12 1HG1 VAL 12 -2.437 10.294 -11.011 95 HG12 VAL 12 2HG1 VAL 12 -3.479 10.031 -12.410 96 HG13 VAL 12 3HG1 VAL 12 -2.400 8.749 -11.861 97 HG21 VAL 12 1HG2 VAL 12 -3.969 10.798 -9.415 98 HG22 VAL 12 2HG2 VAL 12 -5.395 9.817 -9.078 99 HG23 VAL 12 3HG2 VAL 12 -5.332 10.811 -10.534 100 H VAL 13 H VAL 13 -4.301 9.010 -13.755 101 HA VAL 13 HA VAL 13 -3.735 6.205 -14.556 102 HB VAL 13 HB VAL 13 -3.759 8.731 -16.236 103 HG11 VAL 13 1HG1 VAL 13 -2.743 6.111 -16.716 104 HG12 VAL 13 2HG1 VAL 13 -2.876 7.447 -17.858 105 HG13 VAL 13 3HG1 VAL 13 -4.204 6.300 -17.686 106 HG21 VAL 13 1HG2 VAL 13 -6.009 8.535 -15.983 107 HG22 VAL 13 2HG2 VAL 13 -5.877 6.914 -15.299 108 HG23 VAL 13 3HG2 VAL 13 -5.859 7.137 -17.048 109 H VAL 14 H VAL 14 -1.647 5.519 -14.777 110 HA VAL 14 HA VAL 14 0.510 7.583 -14.677 111 HB VAL 14 HB VAL 14 1.819 6.043 -13.257 112 HG11 VAL 14 1HG1 VAL 14 0.201 6.115 -11.233 113 HG12 VAL 14 2HG1 VAL 14 -0.926 6.899 -12.341 114 HG13 VAL 14 3HG1 VAL 14 0.632 7.648 -11.992 115 HG21 VAL 14 1HG2 VAL 14 1.245 3.872 -13.155 116 HG22 VAL 14 2HG2 VAL 14 -0.200 4.207 -14.109 117 HG23 VAL 14 3HG2 VAL 14 -0.261 4.315 -12.351 118 H ALA 15 H ALA 15 2.603 6.748 -15.577 119 HA ALA 15 HA ALA 15 2.074 5.209 -18.016 120 HB1 ALA 15 1HB ALA 15 3.661 7.266 -17.707 121 HB2 ALA 15 2HB ALA 15 4.176 5.942 -18.753 122 HB3 ALA 15 3HB ALA 15 4.810 6.067 -17.112 123 H ALA 16 H ALA 16 1.706 3.032 -17.332 124 HA ALA 16 HA ALA 16 4.046 1.434 -16.913 125 HB1 ALA 16 1HB ALA 16 3.331 2.670 -14.587 126 HB2 ALA 16 2HB ALA 16 4.153 1.111 -14.662 127 HB3 ALA 16 3HB ALA 16 2.402 1.175 -14.471 128 H SER 17 H SER 17 3.458 -0.878 -16.549 129 HA SER 17 HA SER 17 0.778 -1.454 -17.697 130 HB2 SER 17 2HB SER 17 2.791 -2.376 -18.869 131 HB3 SER 17 1HB SER 17 3.189 -3.278 -17.409 132 HG SER 17 HG SER 17 1.897 -4.725 -18.213 133 H VAL 18 H VAL 18 -0.608 -2.964 -16.594 134 HA VAL 18 HA VAL 18 -0.616 -2.855 -13.782 135 HB VAL 18 HB VAL 18 -2.259 -4.688 -13.893 136 HG11 VAL 18 1HG1 VAL 18 -2.641 -2.891 -16.280 137 HG12 VAL 18 2HG1 VAL 18 -2.744 -2.277 -14.634 138 HG13 VAL 18 3HG1 VAL 18 -3.872 -3.516 -15.191 139 HG21 VAL 18 1HG2 VAL 18 -2.730 -5.455 -16.357 140 HG22 VAL 18 2HG2 VAL 18 -1.428 -6.228 -15.453 141 HG23 VAL 18 3HG2 VAL 18 -1.055 -4.971 -16.634 142 H GLU 19 H GLU 19 0.751 -5.343 -15.920 143 HA GLU 19 HA GLU 19 1.486 -7.184 -13.876 144 HB2 GLU 19 2HB GLU 19 2.755 -6.576 -16.551 145 HB3 GLU 19 1HB GLU 19 3.205 -7.943 -15.541 146 HG2 GLU 19 2HG GLU 19 0.853 -8.746 -15.616 147 HG3 GLU 19 1HG GLU 19 0.452 -7.405 -16.690 148 H HIS 20 H HIS 20 3.103 -4.370 -15.257 149 HA HIS 20 HA HIS 20 5.565 -4.639 -13.816 150 HB2 HIS 20 2HB HIS 20 5.533 -3.124 -15.670 151 HB3 HIS 20 1HB HIS 20 4.159 -2.237 -15.001 152 HD1 HIS 20 1HD HIS 20 7.845 -2.487 -14.853 153 HD2 HIS 20 2HD HIS 20 4.824 -0.706 -12.583 154 HE1 HIS 20 1HE HIS 20 8.981 -0.878 -13.267 155 HE2 HIS 20 2HE HIS 20 7.156 0.218 -11.898 156 H CYS 21 H CYS 21 2.528 -2.961 -13.098 157 HA CYS 21 HA CYS 21 3.258 -1.553 -10.802 158 HB2 CYS 21 2HB CYS 21 0.698 -3.029 -11.452 159 HB3 CYS 21 1HB CYS 21 0.869 -1.960 -10.065 160 HG CYS 21 HG CYS 21 -0.028 -0.543 -12.095 161 H PHE 22 H PHE 22 2.283 -4.964 -11.064 162 HA PHE 22 HA PHE 22 2.747 -5.322 -8.198 163 HB2 PHE 22 2HB PHE 22 1.475 -6.868 -10.310 164 HB3 PHE 22 1HB PHE 22 2.472 -7.865 -9.239 165 HD1 PHE 22 1HD PHE 22 -0.291 -5.404 -9.358 166 HD2 PHE 22 2HD PHE 22 1.932 -8.151 -6.917 167 HE1 PHE 22 1HE PHE 22 -1.930 -5.104 -7.533 168 HE2 PHE 22 2HE PHE 22 0.286 -7.866 -5.084 169 HZ PHE 22 HZ PHE 22 -1.643 -6.330 -5.399 170 H GLU 23 H GLU 23 4.530 -5.877 -11.162 171 HA GLU 23 HA GLU 23 6.470 -7.678 -10.108 172 HB2 GLU 23 2HB GLU 23 6.351 -7.094 -12.510 173 HB3 GLU 23 1HB GLU 23 6.861 -5.453 -12.122 174 HG2 GLU 23 2HG GLU 23 8.966 -6.347 -11.160 175 HG3 GLU 23 1HG GLU 23 8.467 -7.974 -11.630 176 H VAL 24 H VAL 24 6.203 -4.155 -10.056 177 HA VAL 24 HA VAL 24 8.681 -3.677 -8.689 178 HB VAL 24 HB VAL 24 6.120 -2.062 -8.888 179 HG11 VAL 24 1HG1 VAL 24 8.320 -0.379 -8.419 180 HG12 VAL 24 2HG1 VAL 24 8.474 -1.685 -7.247 181 HG13 VAL 24 3HG1 VAL 24 6.997 -0.729 -7.311 182 HG21 VAL 24 1HG2 VAL 24 7.033 -2.189 -11.043 183 HG22 VAL 24 2HG2 VAL 24 8.692 -2.218 -10.447 184 HG23 VAL 24 3HG2 VAL 24 7.768 -0.717 -10.409 185 H PHE 25 H PHE 25 5.346 -4.195 -7.604 186 HA PHE 25 HA PHE 25 5.636 -3.577 -4.875 187 HB2 PHE 25 2HB PHE 25 3.945 -5.639 -6.293 188 HB3 PHE 25 1HB PHE 25 3.812 -5.335 -4.569 189 HD1 PHE 25 1HD PHE 25 4.671 -2.360 -6.514 190 HD2 PHE 25 2HD PHE 25 1.399 -4.809 -5.155 191 HE1 PHE 25 1HE PHE 25 3.108 -0.514 -6.939 192 HE2 PHE 25 2HE PHE 25 -0.160 -2.940 -5.589 193 HZ PHE 25 HZ PHE 25 0.699 -0.797 -6.477 194 H THR 26 H THR 26 6.212 -6.700 -6.503 195 HA THR 26 HA THR 26 7.347 -7.740 -3.972 196 HB THR 26 HB THR 26 7.272 -9.918 -5.088 197 HG1 THR 26 1HG THR 26 6.753 -10.095 -7.182 198 HG21 THR 26 1HG2 THR 26 4.939 -8.160 -4.800 199 HG22 THR 26 2HG2 THR 26 5.181 -9.807 -4.213 200 HG23 THR 26 3HG2 THR 26 4.665 -9.528 -5.876 201 H SER 27 H SER 27 8.535 -6.136 -6.687 202 HA SER 27 HA SER 27 11.034 -7.734 -6.755 203 HB2 SER 27 2HB SER 27 10.104 -7.126 -8.913 204 HB3 SER 27 1HB SER 27 10.139 -5.422 -8.470 205 HG SER 27 HG SER 27 12.269 -5.396 -8.679 206 H ARG 28 H ARG 28 10.009 -4.397 -5.903 207 HA ARG 28 HA ARG 28 12.229 -4.105 -4.108 208 HB2 ARG 28 2HB ARG 28 13.396 -2.295 -5.536 209 HB3 ARG 28 1HB ARG 28 13.717 -3.977 -5.923 210 HG2 ARG 28 2HG ARG 28 13.299 -2.947 -8.018 211 HG3 ARG 28 1HG ARG 28 11.796 -3.770 -7.641 212 HD2 ARG 28 2HD ARG 28 10.731 -1.737 -7.003 213 HD3 ARG 28 1HD ARG 28 12.266 -0.870 -6.921 214 HE ARG 28 HE ARG 28 10.694 -1.294 -9.312 215 HH11 ARG 28 1HH1 ARG 28 11.602 -0.567 -11.252 216 HH12 ARG 28 2HH1 ARG 28 13.297 -0.223 -11.323 217 HH21 ARG 28 1HH2 ARG 28 13.877 -1.061 -8.008 218 HH22 ARG 28 2HH2 ARG 28 14.586 -0.503 -9.487 219 HA PRO 29 HA PRO 29 8.660 -0.952 -4.198 220 HB2 PRO 29 2HB PRO 29 7.914 -1.536 -1.575 221 HB3 PRO 29 1HB PRO 29 7.106 -2.129 -3.037 222 HG2 PRO 29 2HG PRO 29 9.064 -3.486 -1.275 223 HG3 PRO 29 1HG PRO 29 7.698 -4.148 -2.177 224 HD2 PRO 29 2HD PRO 29 10.260 -4.480 -3.009 225 HD3 PRO 29 1HD PRO 29 8.904 -4.344 -4.149 226 H ALA 30 H ALA 30 10.899 -1.799 -1.562 227 HA ALA 30 HA ALA 30 10.855 0.865 -0.429 228 HB1 ALA 30 1HB ALA 30 12.492 -1.603 -0.007 229 HB2 ALA 30 2HB ALA 30 11.493 -0.718 1.143 230 HB3 ALA 30 3HB ALA 30 13.062 -0.075 0.659 231 H ASP 31 H ASP 31 12.895 -0.755 -2.809 232 HA ASP 31 HA ASP 31 15.093 1.016 -2.806 233 HB2 ASP 31 2HB ASP 31 14.779 -1.134 -4.173 234 HB3 ASP 31 1HB ASP 31 13.926 -0.122 -5.342 235 H TRP 32 H TRP 32 11.869 1.453 -4.216 236 HA TRP 32 HA TRP 32 12.796 3.989 -5.434 237 HB2 TRP 32 2HB TRP 32 11.140 3.738 -6.926 238 HB3 TRP 32 1HB TRP 32 10.911 2.123 -6.263 239 HD1 TRP 32 HD TRP 32 9.734 5.720 -5.451 240 HE1 TRP 32 1HE TRP 32 7.294 5.613 -4.651 241 HE3 TRP 32 3HE TRP 32 8.957 0.694 -5.701 242 HZ2 TRP 32 2HZ TRP 32 5.280 3.653 -4.193 243 HZ3 TRP 32 3HZ TRP 32 6.742 -0.268 -5.095 244 HH2 TRP 32 HH TRP 32 4.901 1.210 -4.343 245 H TRP 33 H TRP 33 12.887 5.656 -4.114 246 HA TRP 33 HA TRP 33 10.782 5.986 -2.022 247 HB2 TRP 33 2HB TRP 33 12.414 7.059 -0.673 248 HB3 TRP 33 1HB TRP 33 13.314 5.748 -1.428 249 HD1 TRP 33 HD TRP 33 12.597 9.479 -1.926 250 HE1 TRP 33 1HE TRP 33 14.624 10.555 -3.111 251 HE3 TRP 33 3HE TRP 33 15.423 5.320 -2.750 252 HZ2 TRP 33 2HZ TRP 33 17.118 9.742 -4.259 253 HZ3 TRP 33 3HZ TRP 33 17.618 5.492 -3.891 254 HH2 TRP 33 HH TRP 33 18.468 7.696 -4.645 255 HA PRO 34 HA PRO 34 8.894 9.533 -3.859 256 HB2 PRO 34 2HB PRO 34 10.293 11.077 -1.686 257 HB3 PRO 34 1HB PRO 34 8.624 11.233 -2.272 258 HG2 PRO 34 2HG PRO 34 9.252 9.854 -0.046 259 HG3 PRO 34 1HG PRO 34 7.892 9.422 -1.093 260 HD2 PRO 34 2HD PRO 34 10.374 7.950 -0.635 261 HD3 PRO 34 1HD PRO 34 8.909 7.416 -1.479 262 HA PRO 35 HA PRO 35 11.890 11.275 -6.610 263 HB2 PRO 35 2HB PRO 35 10.798 13.825 -6.963 264 HB3 PRO 35 1HB PRO 35 10.345 12.372 -7.869 265 HG2 PRO 35 2HG PRO 35 8.987 13.678 -5.584 266 HG3 PRO 35 1HG PRO 35 8.301 12.805 -6.964 267 HD2 PRO 35 2HD PRO 35 8.449 11.705 -4.484 268 HD3 PRO 35 1HD PRO 35 8.576 10.730 -5.963 269 H SER 36 H SER 36 11.021 13.180 -3.763 270 HA SER 36 HA SER 36 13.187 15.063 -3.951 271 HB2 SER 36 2HB SER 36 11.755 14.055 -1.475 272 HB3 SER 36 1HB SER 36 12.728 15.519 -1.583 273 HG SER 36 HG SER 36 11.179 16.480 -2.697 274 H HIS 37 H HIS 37 15.206 15.035 -2.763 275 HA HIS 37 HA HIS 37 16.618 12.575 -2.833 276 HB2 HIS 37 2HB HIS 37 17.679 14.846 -2.780 277 HB3 HIS 37 1HB HIS 37 17.236 14.973 -1.078 278 HD1 HIS 37 1HD HIS 37 19.108 12.497 -3.312 279 HD2 HIS 37 2HD HIS 37 19.209 13.992 0.580 280 HE1 HIS 37 1HE HIS 37 21.122 11.442 -2.191 281 HE2 HIS 37 2HE HIS 37 21.193 12.346 0.178 282 H VAL 38 H VAL 38 15.054 14.260 -0.118 283 HA VAL 38 HA VAL 38 15.011 11.656 1.339 284 HB VAL 38 HB VAL 38 16.832 13.113 2.250 285 HG11 VAL 38 1HG1 VAL 38 15.631 15.264 1.692 286 HG12 VAL 38 2HG1 VAL 38 16.284 15.204 3.329 287 HG13 VAL 38 3HG1 VAL 38 14.560 14.949 3.057 288 HG21 VAL 38 1HG2 VAL 38 14.553 12.008 3.703 289 HG22 VAL 38 2HG2 VAL 38 15.334 13.311 4.599 290 HG23 VAL 38 3HG2 VAL 38 16.273 11.911 4.083 291 H LEU 39 H LEU 39 13.050 11.280 2.410 292 HA LEU 39 HA LEU 39 11.195 13.405 3.043 293 HB2 LEU 39 2HB LEU 39 10.980 13.320 0.547 294 HB3 LEU 39 1HB LEU 39 10.459 11.643 0.691 295 HG LEU 39 HG LEU 39 8.617 12.429 2.227 296 HD11 LEU 39 1HD1 LEU 39 9.205 14.526 3.037 297 HD12 LEU 39 2HD1 LEU 39 8.123 14.983 1.722 298 HD13 LEU 39 3HD1 LEU 39 9.869 15.054 1.491 299 HD21 LEU 39 1HD2 LEU 39 7.649 13.880 0.065 300 HD22 LEU 39 2HD2 LEU 39 7.559 12.128 0.246 301 HD23 LEU 39 3HD2 LEU 39 8.887 12.853 -0.659 302 H VAL 40 H VAL 40 11.748 9.954 2.467 303 HA VAL 40 HA VAL 40 9.418 8.969 3.778 304 HB VAL 40 HB VAL 40 11.057 7.576 2.451 305 HG11 VAL 40 1HG1 VAL 40 13.055 8.621 3.677 306 HG12 VAL 40 2HG1 VAL 40 13.111 6.876 3.430 307 HG13 VAL 40 3HG1 VAL 40 12.671 7.530 5.007 308 HG21 VAL 40 1HG2 VAL 40 9.399 6.446 3.791 309 HG22 VAL 40 2HG2 VAL 40 10.320 6.730 5.267 310 HG23 VAL 40 3HG2 VAL 40 10.935 5.617 4.044 311 H LYS 41 H LYS 41 8.844 9.020 5.901 312 HA LYS 41 HA LYS 41 10.376 10.428 7.852 313 HB2 LYS 41 2HB LYS 41 8.120 8.447 8.205 314 HB3 LYS 41 1HB LYS 41 8.744 9.486 9.484 315 HG2 LYS 41 2HG LYS 41 8.206 11.475 8.076 316 HG3 LYS 41 1HG LYS 41 7.480 10.396 6.883 317 HD2 LYS 41 2HD LYS 41 5.929 9.555 8.660 318 HD3 LYS 41 1HD LYS 41 6.597 10.762 9.760 319 HE2 LYS 41 2HE LYS 41 5.953 12.152 7.389 320 HE3 LYS 41 1HE LYS 41 4.581 11.096 7.719 321 HZ1 LYS 41 1HZ LYS 41 3.959 12.558 9.243 322 HZ2 LYS 41 2HZ LYS 41 5.399 13.446 9.082 323 HZ3 LYS 41 3HZ LYS 41 5.323 12.133 10.157 324 H LYS 42 H LYS 42 10.136 7.005 7.052 325 HA LYS 42 HA LYS 42 12.269 6.448 9.081 326 HB2 LYS 42 2HB LYS 42 11.399 4.184 9.237 327 HB3 LYS 42 1HB LYS 42 10.061 5.307 9.481 328 HG2 LYS 42 2HG LYS 42 9.503 5.085 7.044 329 HG3 LYS 42 1HG LYS 42 10.744 3.839 6.917 330 HD2 LYS 42 2HD LYS 42 9.535 2.607 8.785 331 HD3 LYS 42 1HD LYS 42 8.215 3.758 8.571 332 HE2 LYS 42 2HE LYS 42 8.140 3.124 6.141 333 HE3 LYS 42 1HE LYS 42 9.325 1.864 6.483 334 HZ1 LYS 42 1HZ LYS 42 6.546 1.789 6.856 335 HZ2 LYS 42 2HZ LYS 42 7.289 1.664 8.380 336 HZ3 LYS 42 3HZ LYS 42 7.682 0.563 7.148 337 H GLU 43 H GLU 43 14.085 5.280 8.347 338 HA GLU 43 HA GLU 43 14.522 5.345 5.459 339 HB2 GLU 43 2HB GLU 43 16.242 4.275 7.702 340 HB3 GLU 43 1HB GLU 43 16.764 4.456 6.031 341 HG2 GLU 43 2HG GLU 43 16.296 6.891 6.172 342 HG3 GLU 43 1HG GLU 43 15.852 6.690 7.867 343 H ARG 44 H ARG 44 13.815 3.729 4.158 344 HA ARG 44 HA ARG 44 12.944 1.173 5.203 345 HB2 ARG 44 2HB ARG 44 13.481 2.066 2.351 346 HB3 ARG 44 1HB ARG 44 12.659 0.573 2.807 347 HG2 ARG 44 2HG ARG 44 10.950 1.947 4.027 348 HG3 ARG 44 1HG ARG 44 11.728 3.402 3.404 349 HD2 ARG 44 2HD ARG 44 11.387 2.491 1.079 350 HD3 ARG 44 1HD ARG 44 10.425 1.196 1.792 351 HE ARG 44 HE ARG 44 9.561 3.905 2.522 352 HH11 ARG 44 1HH1 ARG 44 7.487 4.452 1.805 353 HH12 ARG 44 2HH1 ARG 44 6.698 3.449 0.634 354 HH21 ARG 44 1HH2 ARG 44 9.329 1.203 0.395 355 HH22 ARG 44 2HH2 ARG 44 7.741 1.609 -0.163 356 H ALA 45 H ALA 45 14.058 -0.819 5.144 357 HA ALA 45 HA ALA 45 16.929 -0.654 4.295 358 HB1 ALA 45 1HB ALA 45 17.465 -1.118 6.425 359 HB2 ALA 45 2HB ALA 45 16.653 -2.675 6.246 360 HB3 ALA 45 3HB ALA 45 15.760 -1.279 6.852 361 H GLY 46 H GLY 46 14.254 -2.969 4.890 362 HA2 GLY 46 2HA GLY 46 15.157 -4.467 2.488 363 HA3 GLY 46 1HA GLY 46 15.105 -5.346 4.012 364 H LEU 47 H LEU 47 13.505 -6.324 2.044 365 HA LEU 47 HA LEU 47 10.847 -5.848 3.166 366 HB2 LEU 47 2HB LEU 47 9.795 -5.270 1.036 367 HB3 LEU 47 1HB LEU 47 11.045 -4.087 1.438 368 HG LEU 47 HG LEU 47 12.456 -6.038 0.108 369 HD11 LEU 47 1HD1 LEU 47 9.737 -5.700 -1.175 370 HD12 LEU 47 2HD1 LEU 47 10.479 -7.201 -0.622 371 HD13 LEU 47 3HD1 LEU 47 11.144 -6.351 -2.017 372 HD21 LEU 47 1HD2 LEU 47 12.224 -4.344 -1.857 373 HD22 LEU 47 2HD2 LEU 47 12.947 -3.794 -0.348 374 HD23 LEU 47 3HD2 LEU 47 11.268 -3.400 -0.717 375 H ALA 48 H ALA 48 9.584 -7.609 3.089 376 HA ALA 48 HA ALA 48 10.549 -9.901 1.434 377 HB1 ALA 48 1HB ALA 48 10.023 -11.349 3.155 378 HB2 ALA 48 2HB ALA 48 8.678 -10.354 3.715 379 HB3 ALA 48 3HB ALA 48 10.336 -9.911 4.129 380 H PHE 49 H PHE 49 9.125 -10.626 -0.117 381 HA PHE 49 HA PHE 49 6.264 -9.790 0.108 382 HB2 PHE 49 2HB PHE 49 8.268 -9.053 -1.921 383 HB3 PHE 49 1HB PHE 49 6.745 -9.644 -2.575 384 HD1 PHE 49 1HD PHE 49 8.233 -7.152 -0.256 385 HD2 PHE 49 2HD PHE 49 4.787 -8.307 -2.535 386 HE1 PHE 49 1HE PHE 49 7.226 -4.923 0.140 387 HE2 PHE 49 2HE PHE 49 3.777 -6.080 -2.143 388 HZ PHE 49 HZ PHE 49 5.002 -4.389 -0.807 389 H GLU 50 H GLU 50 4.909 -11.503 -0.299 390 HA GLU 50 HA GLU 50 5.950 -13.643 -2.110 391 HB2 GLU 50 2HB GLU 50 4.220 -14.827 -0.175 392 HB3 GLU 50 1HB GLU 50 5.905 -15.193 -0.499 393 HG2 GLU 50 2HG GLU 50 5.007 -12.885 1.249 394 HG3 GLU 50 1HG GLU 50 5.458 -14.470 1.873 395 HA PRO 51 HA PRO 51 1.873 -12.857 -3.846 396 HB2 PRO 51 2HB PRO 51 1.871 -14.595 -5.871 397 HB3 PRO 51 1HB PRO 51 2.992 -13.219 -5.843 398 HG2 PRO 51 2HG PRO 51 3.502 -16.084 -5.181 399 HG3 PRO 51 1HG PRO 51 4.504 -14.947 -6.099 400 HD2 PRO 51 2HD PRO 51 4.905 -15.564 -3.419 401 HD3 PRO 51 1HD PRO 51 5.467 -14.075 -4.214 402 H PHE 52 H PHE 52 -0.183 -13.588 -3.334 403 HA PHE 52 HA PHE 52 -1.177 -16.212 -3.465 404 HB2 PHE 52 2HB PHE 52 -1.238 -16.596 -0.860 405 HB3 PHE 52 1HB PHE 52 0.170 -17.097 -1.788 406 HD1 PHE 52 1HD PHE 52 1.352 -16.997 0.469 407 HD2 PHE 52 2HD PHE 52 -0.212 -13.475 -1.443 408 HE1 PHE 52 1HE PHE 52 2.821 -15.560 1.857 409 HE2 PHE 52 2HE PHE 52 1.276 -12.075 -0.112 410 HZ PHE 52 HZ PHE 52 2.781 -13.090 1.559 411 H VAL 53 H VAL 53 -3.114 -16.487 -1.788 412 HA VAL 53 HA VAL 53 -4.687 -13.979 -1.854 413 HB VAL 53 HB VAL 53 -5.401 -16.867 -1.307 414 HG11 VAL 53 1HG1 VAL 53 -7.188 -16.113 -0.162 415 HG12 VAL 53 2HG1 VAL 53 -7.753 -15.381 -1.661 416 HG13 VAL 53 3HG1 VAL 53 -6.788 -14.437 -0.528 417 HG21 VAL 53 1HG2 VAL 53 -6.906 -15.571 -3.381 418 HG22 VAL 53 2HG2 VAL 53 -5.808 -16.946 -3.518 419 HG23 VAL 53 3HG2 VAL 53 -5.186 -15.302 -3.667 420 H GLY 54 H GLY 54 -5.378 -12.970 0.134 421 HA2 GLY 54 2HA GLY 54 -5.256 -12.518 2.465 422 HA3 GLY 54 1HA GLY 54 -5.071 -14.268 2.710 423 H GLY 55 H GLY 55 -3.191 -12.407 0.547 424 HA2 GLY 55 2HA GLY 55 -0.715 -13.457 1.433 425 HA3 GLY 55 1HA GLY 55 -0.949 -12.180 0.242 426 H ARG 56 H ARG 56 1.239 -11.848 1.597 427 HA ARG 56 HA ARG 56 0.610 -9.560 3.354 428 HB2 ARG 56 2HB ARG 56 2.298 -11.919 4.213 429 HB3 ARG 56 1HB ARG 56 2.234 -10.380 5.071 430 HG2 ARG 56 2HG ARG 56 -0.247 -10.664 5.285 431 HG3 ARG 56 1HG ARG 56 -0.083 -12.267 4.571 432 HD2 ARG 56 2HD ARG 56 1.222 -11.312 7.135 433 HD3 ARG 56 1HD ARG 56 -0.114 -12.458 7.008 434 HE ARG 56 HE ARG 56 1.960 -13.534 5.454 435 HH11 ARG 56 1HH1 ARG 56 3.390 -15.051 6.327 436 HH12 ARG 56 2HH1 ARG 56 3.617 -15.120 8.042 437 HH21 ARG 56 1HH2 ARG 56 1.395 -12.543 8.707 438 HH22 ARG 56 2HH2 ARG 56 2.488 -13.700 9.391 439 H TYR 57 H TYR 57 2.166 -8.007 3.406 440 HA TYR 57 HA TYR 57 4.618 -8.399 1.742 441 HB2 TYR 57 2HB TYR 57 3.013 -5.855 2.119 442 HB3 TYR 57 1HB TYR 57 4.430 -6.046 1.109 443 HD1 TYR 57 1HD TYR 57 3.854 -8.699 -0.219 444 HD2 TYR 57 2HD TYR 57 1.287 -5.353 0.628 445 HE1 TYR 57 1HE TYR 57 2.370 -9.378 -2.062 446 HE2 TYR 57 2HE TYR 57 -0.195 -6.032 -1.238 447 HH TYR 57 HH TYR 57 -0.741 -8.107 -2.487 448 H TYR 58 H TYR 58 6.533 -7.251 2.555 449 HA TYR 58 HA TYR 58 6.212 -6.148 5.306 450 HB2 TYR 58 2HB TYR 58 8.224 -8.278 4.559 451 HB3 TYR 58 1HB TYR 58 8.035 -7.525 6.141 452 HD1 TYR 58 1HD TYR 58 6.486 -8.361 7.697 453 HD2 TYR 58 2HD TYR 58 6.207 -9.503 3.571 454 HE1 TYR 58 1HE TYR 58 4.724 -9.998 8.275 455 HE2 TYR 58 2HE TYR 58 4.447 -11.141 4.133 456 HH TYR 58 HH TYR 58 3.219 -11.443 7.471 457 H GLU 59 H GLU 59 7.857 -4.778 5.999 458 HA GLU 59 HA GLU 59 10.032 -4.130 4.082 459 HB2 GLU 59 2HB GLU 59 8.206 -2.095 5.371 460 HB3 GLU 59 1HB GLU 59 9.736 -1.698 4.597 461 HG2 GLU 59 2HG GLU 59 8.938 -2.727 2.490 462 HG3 GLU 59 1HG GLU 59 7.386 -3.069 3.256 463 H TRP 60 H TRP 60 11.913 -3.239 5.155 464 HA TRP 60 HA TRP 60 11.958 -3.942 8.069 465 HB2 TRP 60 2HB TRP 60 13.744 -4.441 5.821 466 HB3 TRP 60 1HB TRP 60 14.584 -3.682 7.172 467 HD1 TRP 60 HD TRP 60 13.921 -4.929 9.668 468 HE1 TRP 60 1HE TRP 60 13.905 -7.480 10.104 469 HE3 TRP 60 3HE TRP 60 13.489 -6.657 4.879 470 HZ2 TRP 60 2HZ TRP 60 13.690 -9.925 8.601 471 HZ3 TRP 60 3HZ TRP 60 13.376 -9.080 4.407 472 HH2 TRP 60 HH TRP 60 13.483 -10.716 6.259 473 H ASP 61 H ASP 61 12.358 -2.275 9.494 474 HA ASP 61 HA ASP 61 13.355 0.280 8.270 475 HB2 ASP 61 2HB ASP 61 11.424 0.913 9.342 476 HB3 ASP 61 1HB ASP 61 11.569 -0.331 10.576 477 H ILE 62 H ILE 62 15.328 1.060 8.909 478 HA ILE 62 HA ILE 62 17.237 -0.661 10.017 479 HB ILE 62 HB ILE 62 18.769 1.083 9.944 480 HG12 ILE 62 2HG1 ILE 62 17.676 2.571 11.602 481 HG13 ILE 62 1HG1 ILE 62 18.265 3.455 10.212 482 HG21 ILE 62 1HG2 ILE 62 17.650 0.726 7.766 483 HG22 ILE 62 2HG2 ILE 62 18.280 2.362 7.952 484 HG23 ILE 62 3HG2 ILE 62 16.556 2.058 8.138 485 HD11 ILE 62 1HD1 ILE 62 16.211 4.322 9.982 486 HD12 ILE 62 2HD1 ILE 62 15.562 3.255 11.221 487 HD13 ILE 62 3HD1 ILE 62 15.635 2.718 9.545 488 H ASP 63 H ASP 63 15.132 1.609 11.686 489 HA ASP 63 HA ASP 63 16.338 0.723 14.270 490 HB2 ASP 63 2HB ASP 63 14.500 3.040 13.593 491 HB3 ASP 63 1HB ASP 63 14.979 2.608 15.235 492 H GLY 64 H GLY 64 13.790 0.213 12.142 493 HA2 GLY 64 2HA GLY 64 12.069 -0.864 14.312 494 HA3 GLY 64 1HA GLY 64 11.453 -0.319 12.766 495 H THR 65 H THR 65 11.537 -2.890 14.332 496 HA THR 65 HA THR 65 12.963 -4.906 12.951 497 HB THR 65 HB THR 65 10.245 -5.446 14.066 498 HG1 THR 65 1HG THR 65 11.336 -5.309 16.178 499 HG21 THR 65 1HG2 THR 65 12.685 -6.797 15.053 500 HG22 THR 65 2HG2 THR 65 12.331 -7.040 13.344 501 HG23 THR 65 3HG2 THR 65 11.139 -7.487 14.564 502 H GLU 66 H GLU 66 11.442 -6.737 11.856 503 HA GLU 66 HA GLU 66 10.425 -5.520 9.382 504 HB2 GLU 66 2HB GLU 66 11.743 -7.746 9.610 505 HB3 GLU 66 1HB GLU 66 10.230 -8.428 10.151 506 HG2 GLU 66 2HG GLU 66 9.149 -7.627 8.086 507 HG3 GLU 66 1HG GLU 66 10.711 -7.046 7.515 508 H ILE 67 H ILE 67 8.208 -5.425 8.837 509 HA ILE 67 HA ILE 67 6.288 -6.849 10.586 510 HB ILE 67 HB ILE 67 5.602 -3.999 10.178 511 HG12 ILE 67 2HG1 ILE 67 7.655 -4.898 12.212 512 HG13 ILE 67 1HG1 ILE 67 7.978 -3.839 10.837 513 HG21 ILE 67 1HG2 ILE 67 4.169 -5.673 11.354 514 HG22 ILE 67 2HG2 ILE 67 4.599 -4.296 12.368 515 HG23 ILE 67 3HG2 ILE 67 5.432 -5.837 12.574 516 HD11 ILE 67 1HD1 ILE 67 7.662 -2.392 12.713 517 HD12 ILE 67 2HD1 ILE 67 6.232 -3.277 13.243 518 HD13 ILE 67 3HD1 ILE 67 6.171 -2.299 11.776 519 H VAL 68 H VAL 68 3.999 -6.567 9.758 520 HA VAL 68 HA VAL 68 4.056 -6.607 6.792 521 HB VAL 68 HB VAL 68 3.025 -8.535 7.953 522 HG11 VAL 68 1HG1 VAL 68 1.054 -6.477 8.971 523 HG12 VAL 68 2HG1 VAL 68 2.267 -7.290 9.956 524 HG13 VAL 68 3HG1 VAL 68 0.954 -8.217 9.229 525 HG21 VAL 68 1HG2 VAL 68 0.815 -6.924 6.675 526 HG22 VAL 68 2HG2 VAL 68 1.096 -8.663 6.583 527 HG23 VAL 68 3HG2 VAL 68 2.161 -7.551 5.723 528 H TRP 69 H TRP 69 2.843 -5.153 5.566 529 HA TRP 69 HA TRP 69 1.659 -2.881 7.104 530 HB2 TRP 69 2HB TRP 69 2.387 -2.783 4.189 531 HB3 TRP 69 1HB TRP 69 2.304 -1.462 5.358 532 HD1 TRP 69 HD TRP 69 4.774 -3.441 3.637 533 HE1 TRP 69 1HE TRP 69 7.022 -3.470 4.900 534 HE3 TRP 69 3HE TRP 69 3.259 -1.674 8.159 535 HZ2 TRP 69 2HZ TRP 69 8.035 -2.815 7.502 536 HZ3 TRP 69 3HZ TRP 69 4.872 -1.396 10.013 537 HH2 TRP 69 HH TRP 69 7.261 -1.956 9.690 538 H GLY 70 H GLY 70 0.653 -5.560 5.333 539 HA2 GLY 70 2HA GLY 70 -2.061 -4.644 5.241 540 HA3 GLY 70 1HA GLY 70 -1.341 -4.490 3.640 541 H ARG 71 H ARG 71 -3.174 -6.084 3.300 542 HA ARG 71 HA ARG 71 -2.052 -8.814 3.419 543 HB2 ARG 71 2HB ARG 71 -4.127 -8.089 5.086 544 HB3 ARG 71 1HB ARG 71 -4.981 -8.720 3.680 545 HG2 ARG 71 2HG ARG 71 -3.467 -10.743 3.786 546 HG3 ARG 71 1HG ARG 71 -2.909 -10.150 5.349 547 HD2 ARG 71 2HD ARG 71 -4.680 -11.676 5.835 548 HD3 ARG 71 1HD ARG 71 -5.376 -10.069 6.033 549 HE ARG 71 HE ARG 71 -5.979 -10.609 3.429 550 HH11 ARG 71 1HH1 ARG 71 -7.782 -11.783 2.738 551 HH12 ARG 71 2HH1 ARG 71 -8.487 -12.963 3.793 552 HH21 ARG 71 1HH2 ARG 71 -6.221 -12.410 6.359 553 HH22 ARG 71 2HH2 ARG 71 -7.604 -13.317 5.842 554 H ILE 72 H ILE 72 -3.761 -10.159 1.950 555 HA ILE 72 HA ILE 72 -4.435 -8.492 -0.414 556 HB ILE 72 HB ILE 72 -2.838 -11.046 -0.347 557 HG12 ILE 72 2HG1 ILE 72 -1.551 -9.658 -2.104 558 HG13 ILE 72 1HG1 ILE 72 -2.503 -8.288 -1.537 559 HG21 ILE 72 1HG2 ILE 72 -4.495 -9.926 -2.605 560 HG22 ILE 72 2HG2 ILE 72 -4.545 -11.555 -1.930 561 HG23 ILE 72 3HG2 ILE 72 -3.147 -11.032 -2.870 562 HD11 ILE 72 1HD1 ILE 72 -1.530 -9.603 0.780 563 HD12 ILE 72 2HD1 ILE 72 -1.045 -8.032 0.157 564 HD13 ILE 72 3HD1 ILE 72 -0.171 -9.482 -0.335 565 H LEU 73 H LEU 73 -6.121 -9.604 -1.806 566 HA LEU 73 HA LEU 73 -7.847 -11.376 -0.124 567 HB2 LEU 73 2HB LEU 73 -8.470 -9.169 -2.056 568 HB3 LEU 73 1HB LEU 73 -9.643 -10.462 -1.811 569 HG LEU 73 HG LEU 73 -8.418 -9.171 0.599 570 HD11 LEU 73 1HD1 LEU 73 -10.814 -8.022 -0.851 571 HD12 LEU 73 2HD1 LEU 73 -9.195 -7.338 -0.965 572 HD13 LEU 73 3HD1 LEU 73 -10.023 -7.380 0.588 573 HD21 LEU 73 1HD2 LEU 73 -10.214 -10.115 1.678 574 HD22 LEU 73 2HD2 LEU 73 -10.188 -11.190 0.282 575 HD23 LEU 73 3HD2 LEU 73 -11.307 -9.828 0.326 576 H GLU 74 H GLU 74 -6.952 -10.635 -3.475 577 HA GLU 74 HA GLU 74 -6.425 -13.343 -4.213 578 HB2 GLU 74 2HB GLU 74 -8.930 -13.520 -3.948 579 HB3 GLU 74 1HB GLU 74 -9.105 -12.288 -5.198 580 HG2 GLU 74 2HG GLU 74 -7.826 -13.745 -6.764 581 HG3 GLU 74 1HG GLU 74 -7.773 -14.993 -5.518 582 H TRP 75 H TRP 75 -5.702 -13.397 -6.456 583 HA TRP 75 HA TRP 75 -5.308 -10.665 -7.572 584 HB2 TRP 75 2HB TRP 75 -3.415 -11.638 -8.801 585 HB3 TRP 75 1HB TRP 75 -3.260 -11.956 -7.071 586 HD1 TRP 75 HD TRP 75 -3.727 -14.439 -6.221 587 HE1 TRP 75 1HE TRP 75 -3.693 -16.704 -7.451 588 HE3 TRP 75 3HE TRP 75 -3.896 -12.819 -11.061 589 HZ2 TRP 75 2HZ TRP 75 -3.732 -17.698 -10.133 590 HZ3 TRP 75 3HZ TRP 75 -3.896 -14.444 -12.932 591 HH2 TRP 75 HH TRP 75 -3.815 -16.879 -12.475 592 H ASP 76 H ASP 76 -6.519 -10.133 -9.315 593 HA ASP 76 HA ASP 76 -7.727 -12.331 -10.907 594 HB2 ASP 76 2HB ASP 76 -8.818 -9.969 -9.919 595 HB3 ASP 76 1HB ASP 76 -8.541 -9.618 -11.627 596 HA PRO 77 HA PRO 77 -4.611 -12.094 -14.086 597 HB2 PRO 77 2HB PRO 77 -7.071 -11.762 -15.789 598 HB3 PRO 77 1HB PRO 77 -5.624 -12.748 -16.092 599 HG2 PRO 77 2HG PRO 77 -7.891 -13.795 -15.099 600 HG3 PRO 77 1HG PRO 77 -6.286 -14.407 -14.668 601 HD2 PRO 77 2HD PRO 77 -8.219 -12.991 -12.983 602 HD3 PRO 77 1HD PRO 77 -6.741 -13.855 -12.498 603 HA PRO 78 HA PRO 78 -3.401 -7.931 -14.863 604 HB2 PRO 78 2HB PRO 78 -3.833 -8.627 -17.752 605 HB3 PRO 78 1HB PRO 78 -2.469 -7.785 -16.992 606 HG2 PRO 78 2HG PRO 78 -2.444 -10.429 -17.653 607 HG3 PRO 78 1HG PRO 78 -1.457 -9.716 -16.368 608 HD2 PRO 78 2HD PRO 78 -3.640 -11.606 -16.099 609 HD3 PRO 78 1HD PRO 78 -2.593 -10.947 -14.824 610 H HIS 79 H HIS 79 -5.596 -7.343 -13.942 611 HA HIS 79 HA HIS 79 -6.933 -5.476 -15.612 612 HB2 HIS 79 2HB HIS 79 -7.759 -7.877 -16.413 613 HB3 HIS 79 1HB HIS 79 -8.817 -7.713 -15.009 614 HD1 HIS 79 1HD HIS 79 -9.291 -4.665 -15.104 615 HD2 HIS 79 2HD HIS 79 -9.547 -7.145 -18.447 616 HE1 HIS 79 1HE HIS 79 -10.730 -3.444 -16.787 617 HE2 HIS 79 2HE HIS 79 -10.905 -4.948 -18.826 618 H ARG 80 H ARG 80 -7.298 -7.684 -12.786 619 HA ARG 80 HA ARG 80 -8.059 -5.291 -11.223 620 HB2 ARG 80 2HB ARG 80 -10.190 -6.189 -12.169 621 HB3 ARG 80 1HB ARG 80 -9.885 -7.703 -11.313 622 HG2 ARG 80 2HG ARG 80 -9.756 -6.383 -9.174 623 HG3 ARG 80 1HG ARG 80 -10.283 -4.968 -10.087 624 HD2 ARG 80 2HD ARG 80 -11.811 -7.574 -9.913 625 HD3 ARG 80 1HD ARG 80 -12.172 -6.129 -8.975 626 HE ARG 80 HE ARG 80 -12.129 -5.412 -11.730 627 HH11 ARG 80 1HH1 ARG 80 -14.097 -5.174 -12.816 628 HH12 ARG 80 2HH1 ARG 80 -15.522 -5.921 -12.173 629 HH21 ARG 80 1HH2 ARG 80 -13.888 -7.295 -9.440 630 HH22 ARG 80 2HH2 ARG 80 -15.403 -7.121 -10.261 631 H LEU 81 H LEU 81 -7.495 -5.434 -9.085 632 HA LEU 81 HA LEU 81 -6.811 -8.099 -7.974 633 HB2 LEU 81 2HB LEU 81 -4.998 -5.689 -8.019 634 HB3 LEU 81 1HB LEU 81 -4.759 -7.044 -6.920 635 HG LEU 81 HG LEU 81 -5.152 -8.144 -9.504 636 HD11 LEU 81 1HD1 LEU 81 -3.154 -5.875 -9.443 637 HD12 LEU 81 2HD1 LEU 81 -4.624 -5.938 -10.414 638 HD13 LEU 81 3HD1 LEU 81 -3.304 -7.062 -10.739 639 HD21 LEU 81 1HD2 LEU 81 -3.753 -8.988 -7.582 640 HD22 LEU 81 2HD2 LEU 81 -2.564 -7.748 -7.977 641 HD23 LEU 81 3HD2 LEU 81 -2.923 -9.024 -9.138 642 H ALA 82 H ALA 82 -7.746 -8.315 -6.019 643 HA ALA 82 HA ALA 82 -8.602 -5.838 -4.574 644 HB1 ALA 82 1HB ALA 82 -10.560 -7.084 -4.853 645 HB2 ALA 82 2HB ALA 82 -10.002 -7.684 -3.292 646 HB3 ALA 82 3HB ALA 82 -9.710 -8.626 -4.755 647 H MET 83 H MET 83 -8.092 -5.747 -2.233 648 HA MET 83 HA MET 83 -6.368 -7.933 -1.279 649 HB2 MET 83 2HB MET 83 -4.768 -5.903 -0.520 650 HB3 MET 83 1HB MET 83 -4.540 -6.796 -2.024 651 HG2 MET 83 2HG MET 83 -5.844 -5.130 -3.252 652 HG3 MET 83 1HG MET 83 -6.180 -4.259 -1.756 653 HE1 MET 83 1HE MET 83 -2.347 -4.526 -4.186 654 HE2 MET 83 2HE MET 83 -3.878 -5.373 -4.396 655 HE3 MET 83 3HE MET 83 -2.735 -5.926 -3.175 656 H THR 84 H THR 84 -6.222 -8.122 0.972 657 HA THR 84 HA THR 84 -8.001 -6.238 2.479 658 HB THR 84 HB THR 84 -7.110 -9.085 2.955 659 HG1 THR 84 1HG THR 84 -9.383 -7.729 2.328 660 HG21 THR 84 1HG2 THR 84 -8.274 -8.816 5.217 661 HG22 THR 84 2HG2 THR 84 -8.110 -7.076 4.979 662 HG23 THR 84 3HG2 THR 84 -6.672 -8.091 5.079 663 H TRP 85 H TRP 85 -7.117 -5.468 4.615 664 HA TRP 85 HA TRP 85 -4.146 -5.215 4.429 665 HB2 TRP 85 2HB TRP 85 -6.327 -3.409 5.338 666 HB3 TRP 85 1HB TRP 85 -4.779 -3.293 6.180 667 HD1 TRP 85 HD TRP 85 -4.911 -4.245 2.498 668 HE1 TRP 85 1HE TRP 85 -3.843 -2.356 1.106 669 HE3 TRP 85 3HE TRP 85 -4.299 -0.708 6.131 670 HZ2 TRP 85 2HZ TRP 85 -2.861 0.304 1.482 671 HZ3 TRP 85 3HZ TRP 85 -3.296 1.493 5.587 672 HH2 TRP 85 HH TRP 85 -2.577 2.002 3.270 673 H ARG 86 H ARG 86 -2.956 -6.334 5.892 674 HA ARG 86 HA ARG 86 -4.238 -6.982 8.526 675 HB2 ARG 86 2HB ARG 86 -3.724 -8.983 7.141 676 HB3 ARG 86 1HB ARG 86 -2.032 -8.493 7.093 677 HG2 ARG 86 2HG ARG 86 -1.975 -8.589 9.587 678 HG3 ARG 86 1HG ARG 86 -3.633 -9.191 9.571 679 HD2 ARG 86 2HD ARG 86 -1.299 -10.537 8.178 680 HD3 ARG 86 1HD ARG 86 -1.950 -11.026 9.743 681 HE ARG 86 HE ARG 86 -3.982 -10.932 7.655 682 HH11 ARG 86 1HH1 ARG 86 -4.841 -12.938 7.051 683 HH12 ARG 86 2HH1 ARG 86 -4.016 -14.390 7.509 684 HH21 ARG 86 1HH2 ARG 86 -1.456 -12.734 9.158 685 HH22 ARG 86 2HH2 ARG 86 -2.101 -14.275 8.702 686 H ILE 87 H ILE 87 -3.408 -5.578 10.034 687 HA ILE 87 HA ILE 87 -0.470 -5.371 10.222 688 HB ILE 87 HB ILE 87 -1.279 -3.429 8.806 689 HG12 ILE 87 2HG1 ILE 87 -0.155 -2.561 11.480 690 HG13 ILE 87 1HG1 ILE 87 0.800 -3.499 10.332 691 HG21 ILE 87 1HG2 ILE 87 -2.251 -2.090 11.268 692 HG22 ILE 87 2HG2 ILE 87 -3.329 -3.305 10.582 693 HG23 ILE 87 3HG2 ILE 87 -2.812 -1.931 9.603 694 HD11 ILE 87 1HD1 ILE 87 0.554 -0.742 10.346 695 HD12 ILE 87 2HD1 ILE 87 -0.567 -1.234 9.079 696 HD13 ILE 87 3HD1 ILE 87 1.128 -1.710 8.991 697 H ASP 88 H ASP 88 0.208 -4.326 12.273 698 HA ASP 88 HA ASP 88 -1.595 -5.130 14.462 699 HB2 ASP 88 2HB ASP 88 0.839 -5.680 14.530 700 HB3 ASP 88 1HB ASP 88 1.187 -3.956 14.604 701 H GLY 89 H GLY 89 -1.256 -3.400 16.431 702 HA2 GLY 89 2HA GLY 89 -2.388 -0.887 15.320 703 HA3 GLY 89 1HA GLY 89 -2.548 -1.427 16.993 704 H HIS 90 H HIS 90 0.195 -2.016 17.505 705 HA HIS 90 HA HIS 90 1.321 0.746 17.427 706 HB2 HIS 90 2HB HIS 90 0.747 -0.723 19.647 707 HB3 HIS 90 1HB HIS 90 2.439 -1.145 19.391 708 HD1 HIS 90 1HD HIS 90 1.441 0.749 21.737 709 HD2 HIS 90 2HD HIS 90 3.042 2.026 18.100 710 HE1 HIS 90 1HE HIS 90 2.340 3.085 22.133 711 HE2 HIS 90 2HE HIS 90 3.320 3.873 19.928 712 H TRP 91 H TRP 91 1.785 -0.973 15.232 713 HA TRP 91 HA TRP 91 3.545 -1.835 13.964 714 HB2 TRP 91 2HB TRP 91 5.218 -0.224 15.915 715 HB3 TRP 91 1HB TRP 91 5.782 -0.863 14.374 716 HD1 TRP 91 HD TRP 91 4.774 2.264 15.710 717 HE1 TRP 91 1HE TRP 91 3.732 3.821 13.936 718 HE3 TRP 91 3HE TRP 91 3.806 -1.103 12.005 719 HZ2 TRP 91 2HZ TRP 91 2.619 3.630 11.279 720 HZ3 TRP 91 3HZ TRP 91 2.755 -0.422 9.930 721 HH2 TRP 91 HH TRP 91 2.159 1.914 9.552 722 H GLN 92 H GLN 92 2.600 -3.646 15.777 723 HA GLN 92 HA GLN 92 5.103 -4.907 16.821 724 HB2 GLN 92 2HB GLN 92 2.265 -5.222 17.838 725 HB3 GLN 92 1HB GLN 92 3.698 -6.004 18.511 726 HG2 GLN 92 2HG GLN 92 4.681 -3.757 18.957 727 HG3 GLN 92 1HG GLN 92 3.192 -3.015 18.361 728 HE21 GLN 92 1HE2 GLN 92 4.018 -2.578 21.049 729 HE22 GLN 92 2HE2 GLN 92 2.932 -3.364 22.090 730 H SER 93 H SER 93 1.957 -6.461 16.570 731 HA SER 93 HA SER 93 1.802 -7.694 14.165 732 HB2 SER 93 2HB SER 93 3.957 -8.502 13.899 733 HB3 SER 93 1HB SER 93 4.192 -8.748 15.631 734 HG SER 93 HG SER 93 3.468 -10.519 13.814 735 H VAL 94 H VAL 94 0.140 -9.191 14.251 736 HA VAL 94 HA VAL 94 -0.325 -10.641 16.801 737 HB VAL 94 HB VAL 94 -2.872 -9.973 16.269 738 HG11 VAL 94 1HG1 VAL 94 -2.494 -8.018 17.885 739 HG12 VAL 94 2HG1 VAL 94 -0.779 -8.425 17.807 740 HG13 VAL 94 3HG1 VAL 94 -1.938 -9.601 18.430 741 HG21 VAL 94 1HG2 VAL 94 -2.085 -8.589 14.299 742 HG22 VAL 94 2HG2 VAL 94 -1.306 -7.510 15.456 743 HG23 VAL 94 3HG2 VAL 94 -3.058 -7.704 15.474 744 HA PRO 95 HA PRO 95 -1.355 -14.025 14.167 745 HB2 PRO 95 2HB PRO 95 -3.588 -15.046 15.490 746 HB3 PRO 95 1HB PRO 95 -1.902 -15.398 15.907 747 HG2 PRO 95 2HG PRO 95 -3.806 -13.502 17.161 748 HG3 PRO 95 1HG PRO 95 -2.524 -14.478 17.899 749 HD2 PRO 95 2HD PRO 95 -2.245 -11.807 17.470 750 HD3 PRO 95 1HD PRO 95 -0.868 -12.930 17.401 751 H ASP 96 H ASP 96 -3.980 -11.855 15.078 752 HA ASP 96 HA ASP 96 -4.975 -11.888 12.316 753 HB2 ASP 96 2HB ASP 96 -6.139 -13.783 13.664 754 HB3 ASP 96 1HB ASP 96 -6.965 -12.461 14.489 755 H ASP 97 H ASP 97 -6.289 -10.021 11.894 756 HA ASP 97 HA ASP 97 -6.076 -7.955 14.026 757 HB2 ASP 97 2HB ASP 97 -6.369 -7.739 11.022 758 HB3 ASP 97 1HB ASP 97 -6.392 -6.362 12.123 759 H ASP 98 H ASP 98 -7.937 -7.564 15.098 760 HA ASP 98 HA ASP 98 -10.523 -8.395 14.060 761 HB2 ASP 98 2HB ASP 98 -9.731 -6.740 16.464 762 HB3 ASP 98 1HB ASP 98 -11.381 -7.253 16.119 763 H ARG 99 H ARG 99 -8.574 -5.553 13.998 764 HA ARG 99 HA ARG 99 -10.822 -3.844 13.113 765 HB2 ARG 99 2HB ARG 99 -8.613 -2.242 12.992 766 HB3 ARG 99 1HB ARG 99 -9.582 -2.458 14.449 767 HG2 ARG 99 2HG ARG 99 -8.098 -4.147 15.292 768 HG3 ARG 99 1HG ARG 99 -7.234 -4.239 13.756 769 HD2 ARG 99 2HD ARG 99 -5.912 -2.928 15.320 770 HD3 ARG 99 1HD ARG 99 -6.532 -1.858 14.064 771 HE ARG 99 HE ARG 99 -8.440 -1.738 16.092 772 HH11 ARG 99 1HH1 ARG 99 -8.350 -0.178 17.725 773 HH12 ARG 99 2HH1 ARG 99 -6.832 0.554 18.124 774 HH21 ARG 99 1HH2 ARG 99 -5.041 -1.252 15.766 775 HH22 ARG 99 2HH2 ARG 99 -4.958 -0.055 17.015 776 H ALA 100 H ALA 100 -9.905 -6.046 11.439 777 HA ALA 100 HA ALA 100 -8.316 -4.791 9.306 778 HB1 ALA 100 1HB ALA 100 -8.481 -7.359 10.160 779 HB2 ALA 100 2HB ALA 100 -7.955 -6.911 8.538 780 HB3 ALA 100 3HB ALA 100 -9.624 -7.406 8.818 781 H SER 101 H SER 101 -9.084 -4.383 7.208 782 HA SER 101 HA SER 101 -12.041 -4.497 6.810 783 HB2 SER 101 2HB SER 101 -12.072 -2.260 5.937 784 HB3 SER 101 1HB SER 101 -11.217 -2.179 7.475 785 HG SER 101 HG SER 101 -9.610 -2.771 5.338 786 H GLU 102 H GLU 102 -12.509 -4.078 4.357 787 HA GLU 102 HA GLU 102 -10.451 -5.589 2.803 788 HB2 GLU 102 2HB GLU 102 -13.415 -5.238 2.272 789 HB3 GLU 102 1HB GLU 102 -12.306 -6.205 1.299 790 HG2 GLU 102 2HG GLU 102 -11.804 -7.596 3.300 791 HG3 GLU 102 1HG GLU 102 -12.987 -6.664 4.218 792 H ILE 103 H ILE 103 -9.672 -4.740 0.877 793 HA ILE 103 HA ILE 103 -10.636 -1.997 0.158 794 HB ILE 103 HB ILE 103 -7.825 -3.108 -0.111 795 HG12 ILE 103 2HG1 ILE 103 -8.915 -1.028 1.813 796 HG13 ILE 103 1HG1 ILE 103 -8.556 -2.699 2.250 797 HG21 ILE 103 1HG2 ILE 103 -7.408 -1.311 -1.403 798 HG22 ILE 103 2HG2 ILE 103 -8.100 -0.233 -0.191 799 HG23 ILE 103 3HG2 ILE 103 -9.138 -0.968 -1.413 800 HD11 ILE 103 1HD1 ILE 103 -6.668 -0.486 1.518 801 HD12 ILE 103 2HD1 ILE 103 -6.203 -2.155 1.191 802 HD13 ILE 103 3HD1 ILE 103 -6.564 -1.647 2.841 803 H GLU 104 H GLU 104 -11.003 -1.628 -2.028 804 HA GLU 104 HA GLU 104 -10.678 -4.012 -3.812 805 HB2 GLU 104 2HB GLU 104 -13.032 -3.238 -3.384 806 HB3 GLU 104 1HB GLU 104 -12.608 -1.693 -4.123 807 HG2 GLU 104 2HG GLU 104 -11.955 -2.905 -6.202 808 HG3 GLU 104 1HG GLU 104 -12.497 -4.411 -5.461 809 H VAL 105 H VAL 105 -9.132 -3.765 -5.342 810 HA VAL 105 HA VAL 105 -8.570 -1.010 -6.325 811 HB VAL 105 HB VAL 105 -6.513 -3.174 -5.839 812 HG11 VAL 105 1HG1 VAL 105 -4.895 -1.466 -6.387 813 HG12 VAL 105 2HG1 VAL 105 -6.148 -0.227 -6.450 814 HG13 VAL 105 3HG1 VAL 105 -6.091 -1.486 -7.683 815 HG21 VAL 105 1HG2 VAL 105 -7.619 -1.013 -4.135 816 HG22 VAL 105 2HG2 VAL 105 -5.860 -1.141 -4.158 817 HG23 VAL 105 3HG2 VAL 105 -6.838 -2.525 -3.670 818 H ASP 106 H ASP 106 -8.463 -0.847 -8.555 819 HA ASP 106 HA ASP 106 -8.608 -3.427 -10.068 820 HB2 ASP 106 2HB ASP 106 -9.795 -0.727 -10.776 821 HB3 ASP 106 1HB ASP 106 -9.903 -2.184 -11.770 822 H PHE 107 H PHE 107 -7.029 -3.753 -11.578 823 HA PHE 107 HA PHE 107 -5.268 -1.435 -12.257 824 HB2 PHE 107 2HB PHE 107 -4.681 -4.405 -12.112 825 HB3 PHE 107 1HB PHE 107 -3.551 -3.202 -12.719 826 HD1 PHE 107 1HD PHE 107 -5.678 -3.940 -9.732 827 HD2 PHE 107 2HD PHE 107 -2.079 -2.149 -11.240 828 HE1 PHE 107 1HE PHE 107 -4.927 -3.502 -7.416 829 HE2 PHE 107 2HE PHE 107 -1.329 -1.699 -8.919 830 HZ PHE 107 HZ PHE 107 -2.750 -2.378 -7.003 831 H VAL 108 H VAL 108 -5.382 -0.819 -14.375 832 HA VAL 108 HA VAL 108 -6.315 -2.843 -16.369 833 HB VAL 108 HB VAL 108 -6.770 0.042 -16.901 834 HG11 VAL 108 1HG1 VAL 108 -7.397 -1.772 -18.485 835 HG12 VAL 108 2HG1 VAL 108 -8.799 -0.850 -17.941 836 HG13 VAL 108 3HG1 VAL 108 -8.472 -2.443 -17.258 837 HG21 VAL 108 1HG2 VAL 108 -8.997 -0.240 -15.615 838 HG22 VAL 108 2HG2 VAL 108 -7.548 0.076 -14.661 839 HG23 VAL 108 3HG2 VAL 108 -8.190 -1.563 -14.773 840 HA PRO 109 HA PRO 109 -2.315 -1.612 -18.089 841 HB2 PRO 109 2HB PRO 109 -2.216 -3.375 -20.139 842 HB3 PRO 109 1HB PRO 109 -1.954 -3.868 -18.454 843 HG2 PRO 109 2HG PRO 109 -4.372 -4.160 -20.155 844 HG3 PRO 109 1HG PRO 109 -3.677 -5.284 -18.979 845 HD2 PRO 109 2HD PRO 109 -5.842 -3.648 -18.450 846 HD3 PRO 109 1HD PRO 109 -4.753 -4.294 -17.200 847 H ASN 110 H ASN 110 -2.119 0.195 -19.282 848 HA ASN 110 HA ASN 110 -3.766 0.458 -21.746 849 HB2 ASN 110 2HB ASN 110 -4.394 2.075 -19.967 850 HB3 ASN 110 1HB ASN 110 -2.737 2.676 -19.974 851 HD21 ASN 110 1HD2 ASN 110 -5.531 2.194 -22.193 852 HD22 ASN 110 2HD2 ASN 110 -5.163 3.520 -23.186 853 H GLY 111 H GLY 111 -2.592 0.551 -23.595 854 HA2 GLY 111 2HA GLY 111 -0.700 0.647 -24.984 855 HA3 GLY 111 1HA GLY 111 -0.252 2.049 -24.010 856 H SER 112 H SER 112 1.822 0.591 -24.878 857 HA SER 112 HA SER 112 2.586 -1.623 -23.230 858 HB2 SER 112 2HB SER 112 4.814 -1.281 -24.116 859 HB3 SER 112 1HB SER 112 3.664 -0.979 -25.414 860 HG SER 112 HG SER 112 3.816 1.298 -24.660 861 H GLY 113 H GLY 113 2.545 1.808 -22.689 862 HA2 GLY 113 2HA GLY 113 3.782 1.329 -20.017 863 HA3 GLY 113 1HA GLY 113 4.337 2.681 -21.007 864 H GLY 114 H GLY 114 1.042 1.430 -20.295 865 HA2 GLY 114 2HA GLY 114 0.431 4.068 -19.054 866 HA3 GLY 114 1HA GLY 114 -0.628 3.443 -20.315 867 H THR 115 H THR 115 -0.670 3.802 -17.135 868 HA THR 115 HA THR 115 -2.100 1.214 -16.708 869 HB THR 115 HB THR 115 -1.026 2.102 -14.220 870 HG1 THR 115 1HG THR 115 0.491 2.957 -16.056 871 HG21 THR 115 1HG2 THR 115 -1.403 -0.185 -14.398 872 HG22 THR 115 2HG2 THR 115 0.347 -0.099 -14.583 873 HG23 THR 115 3HG2 THR 115 -0.674 -0.295 -16.001 874 H ARG 116 H ARG 116 -4.077 1.451 -15.846 875 HA ARG 116 HA ARG 116 -4.775 4.092 -14.615 876 HB2 ARG 116 2HB ARG 116 -5.986 3.581 -16.748 877 HB3 ARG 116 1HB ARG 116 -6.640 2.131 -15.981 878 HG2 ARG 116 2HG ARG 116 -7.902 3.363 -14.428 879 HG3 ARG 116 1HG ARG 116 -6.940 4.823 -14.664 880 HD2 ARG 116 2HD ARG 116 -9.043 5.148 -15.789 881 HD3 ARG 116 1HD ARG 116 -7.802 4.917 -17.019 882 HE ARG 116 HE ARG 116 -9.008 2.392 -16.355 883 HH11 ARG 116 1HH1 ARG 116 -10.465 1.512 -17.843 884 HH12 ARG 116 2HH1 ARG 116 -11.180 2.536 -19.043 885 HH21 ARG 116 1HH2 ARG 116 -9.537 5.393 -17.968 886 HH22 ARG 116 2HH2 ARG 116 -10.655 4.734 -19.113 887 H VAL 117 H VAL 117 -4.994 3.845 -12.425 888 HA VAL 117 HA VAL 117 -5.949 1.186 -11.444 889 HB VAL 117 HB VAL 117 -3.972 3.030 -10.092 890 HG11 VAL 117 1HG1 VAL 117 -4.921 0.223 -9.434 891 HG12 VAL 117 2HG1 VAL 117 -5.348 1.684 -8.541 892 HG13 VAL 117 3HG1 VAL 117 -3.678 1.115 -8.557 893 HG21 VAL 117 1HG2 VAL 117 -3.653 1.118 -12.206 894 HG22 VAL 117 2HG2 VAL 117 -2.901 0.468 -10.748 895 HG23 VAL 117 3HG2 VAL 117 -2.403 2.042 -11.373 896 H GLU 118 H GLU 118 -7.509 1.152 -9.918 897 HA GLU 118 HA GLU 118 -8.462 3.792 -8.864 898 HB2 GLU 118 2HB GLU 118 -10.121 1.335 -9.534 899 HB3 GLU 118 1HB GLU 118 -10.743 2.852 -8.886 900 HG2 GLU 118 2HG GLU 118 -9.909 4.032 -10.904 901 HG3 GLU 118 1HG GLU 118 -9.364 2.489 -11.562 902 H LEU 119 H LEU 119 -7.569 3.698 -6.801 903 HA LEU 119 HA LEU 119 -7.892 1.161 -5.276 904 HB2 LEU 119 2HB LEU 119 -5.608 2.209 -5.498 905 HB3 LEU 119 1HB LEU 119 -6.216 3.580 -4.577 906 HG LEU 119 HG LEU 119 -6.720 0.936 -3.346 907 HD11 LEU 119 1HD1 LEU 119 -4.438 0.643 -4.316 908 HD12 LEU 119 2HD1 LEU 119 -4.422 0.675 -2.554 909 HD13 LEU 119 3HD1 LEU 119 -3.919 2.099 -3.465 910 HD21 LEU 119 1HD2 LEU 119 -7.108 3.330 -2.413 911 HD22 LEU 119 2HD2 LEU 119 -5.363 3.363 -2.166 912 HD23 LEU 119 3HD2 LEU 119 -6.346 2.150 -1.347 913 H ALA 120 H ALA 120 -9.404 1.078 -3.673 914 HA ALA 120 HA ALA 120 -10.315 3.665 -2.485 915 HB1 ALA 120 1HB ALA 120 -12.367 1.560 -2.690 916 HB2 ALA 120 2HB ALA 120 -11.846 2.215 -4.243 917 HB3 ALA 120 3HB ALA 120 -12.494 3.291 -3.005 918 H HIS 121 H HIS 121 -9.761 3.542 -0.351 919 HA HIS 121 HA HIS 121 -9.857 0.875 0.979 920 HB2 HIS 121 2HB HIS 121 -8.385 1.727 2.619 921 HB3 HIS 121 1HB HIS 121 -7.790 2.438 1.123 922 HD1 HIS 121 1HD HIS 121 -9.630 3.309 4.294 923 HD2 HIS 121 2HD HIS 121 -8.113 5.248 0.928 924 HE1 HIS 121 1HE HIS 121 -9.649 5.792 4.828 925 HE2 HIS 121 2HE HIS 121 -8.750 6.977 2.773 926 H VAL 122 H VAL 122 -11.533 0.461 2.378 927 HA VAL 122 HA VAL 122 -13.159 2.812 3.250 928 HB VAL 122 HB VAL 122 -15.177 1.426 2.897 929 HG11 VAL 122 1HG1 VAL 122 -14.144 1.142 0.228 930 HG12 VAL 122 2HG1 VAL 122 -13.498 2.619 0.941 931 HG13 VAL 122 3HG1 VAL 122 -15.241 2.372 0.856 932 HG21 VAL 122 1HG2 VAL 122 -13.228 -0.646 2.722 933 HG22 VAL 122 2HG2 VAL 122 -14.009 -0.537 1.144 934 HG23 VAL 122 3HG2 VAL 122 -14.981 -0.802 2.590 935 H LYS 123 H LYS 123 -14.309 2.624 5.140 936 HA LYS 123 HA LYS 123 -14.686 2.037 7.353 937 HB2 LYS 123 2HB LYS 123 -14.094 -0.801 6.549 938 HB3 LYS 123 1HB LYS 123 -15.260 -0.210 7.735 939 HG2 LYS 123 2HG LYS 123 -15.416 0.044 4.718 940 HG3 LYS 123 1HG LYS 123 -16.513 -0.837 5.776 941 HD2 LYS 123 2HD LYS 123 -17.116 1.347 6.868 942 HD3 LYS 123 1HD LYS 123 -16.144 2.172 5.648 943 HE2 LYS 123 2HE LYS 123 -17.817 2.054 4.165 944 HE3 LYS 123 1HE LYS 123 -17.899 0.302 4.350 945 HZ1 LYS 123 1HZ LYS 123 -19.601 2.323 5.439 946 HZ2 LYS 123 2HZ LYS 123 -19.014 1.274 6.641 947 HZ3 LYS 123 3HZ LYS 123 -19.860 0.652 5.306 948 H LEU 124 H LEU 124 -11.866 2.662 6.604 949 HA LEU 124 HA LEU 124 -10.194 0.833 8.103 950 HB2 LEU 124 2HB LEU 124 -9.814 3.696 7.191 951 HB3 LEU 124 1HB LEU 124 -8.599 2.840 8.134 952 HG LEU 124 HG LEU 124 -9.678 1.977 5.433 953 HD11 LEU 124 1HD1 LEU 124 -6.852 2.782 6.129 954 HD12 LEU 124 2HD1 LEU 124 -8.045 3.983 5.638 955 HD13 LEU 124 3HD1 LEU 124 -7.600 2.679 4.536 956 HD21 LEU 124 1HD2 LEU 124 -7.975 0.668 7.504 957 HD22 LEU 124 2HD2 LEU 124 -7.466 0.487 5.825 958 HD23 LEU 124 3HD2 LEU 124 -9.065 -0.059 6.323 959 H HIS 125 H HIS 125 -11.956 3.809 8.787 960 HA HIS 125 HA HIS 125 -11.067 4.497 11.314 961 HB2 HIS 125 2HB HIS 125 -12.828 5.773 10.255 962 HB3 HIS 125 1HB HIS 125 -13.921 4.392 10.332 963 HD1 HIS 125 1HD HIS 125 -11.644 5.746 13.060 964 HD2 HIS 125 2HD HIS 125 -15.707 5.149 12.330 965 HE1 HIS 125 1HE HIS 125 -12.847 6.299 15.218 966 HE2 HIS 125 2HE HIS 125 -15.323 5.948 14.783 967 H ARG 126 H ARG 126 -12.345 1.504 10.408 968 HA ARG 126 HA ARG 126 -13.740 0.610 12.661 969 HB2 ARG 126 2HB ARG 126 -13.314 -0.746 10.610 970 HB3 ARG 126 1HB ARG 126 -11.644 -0.946 11.135 971 HG2 ARG 126 2HG ARG 126 -12.437 -2.016 13.223 972 HG3 ARG 126 1HG ARG 126 -14.100 -1.855 12.657 973 HD2 ARG 126 2HD ARG 126 -11.926 -3.366 11.181 974 HD3 ARG 126 1HD ARG 126 -13.150 -4.118 12.204 975 HE ARG 126 HE ARG 126 -13.557 -3.194 9.498 976 HH11 ARG 126 1HH1 ARG 126 -15.670 -3.280 8.701 977 HH12 ARG 126 2HH1 ARG 126 -16.994 -3.432 9.807 978 HH21 ARG 126 1HH2 ARG 126 -14.976 -3.474 12.628 979 HH22 ARG 126 2HH2 ARG 126 -16.601 -3.541 12.031 980 H HIS 127 H HIS 127 -10.276 1.188 12.250 981 HA HIS 127 HA HIS 127 -9.643 0.033 14.862 982 HB2 HIS 127 2HB HIS 127 -7.391 1.263 14.387 983 HB3 HIS 127 1HB HIS 127 -7.820 -0.141 13.418 984 HD1 HIS 127 1HD HIS 127 -9.571 3.086 12.720 985 HD2 HIS 127 2HD HIS 127 -6.327 0.936 11.217 986 HE1 HIS 127 1HE HIS 127 -8.958 4.157 10.506 987 HE2 HIS 127 2HE HIS 127 -6.989 2.856 9.584 988 H GLY 128 H GLY 128 -10.377 3.196 13.558 989 HA2 GLY 128 2HA GLY 128 -10.346 5.331 14.601 990 HA3 GLY 128 1HA GLY 128 -11.390 4.457 15.719 991 H ASP 129 H ASP 129 -7.976 3.647 15.413 992 HA ASP 129 HA ASP 129 -7.404 5.144 17.924 993 HB2 ASP 129 2HB ASP 129 -8.063 2.797 18.514 994 HB3 ASP 129 1HB ASP 129 -6.717 2.217 17.533 995 H GLY 130 H GLY 130 -5.730 6.448 17.274 996 HA2 GLY 130 2HA GLY 130 -3.792 7.119 16.083 997 HA3 GLY 130 1HA GLY 130 -3.145 5.606 16.736 998 H ALA 131 H ALA 131 -5.801 5.986 14.455 999 HA ALA 131 HA ALA 131 -4.930 3.887 12.756 1000 HB1 ALA 131 1HB ALA 131 -7.223 4.546 12.736 1001 HB2 ALA 131 2HB ALA 131 -6.574 4.915 11.135 1002 HB3 ALA 131 3HB ALA 131 -6.809 6.207 12.311 1003 H TRP 132 H TRP 132 -4.874 7.422 12.033 1004 HA TRP 132 HA TRP 132 -3.401 7.099 9.635 1005 HB2 TRP 132 2HB TRP 132 -4.522 9.228 10.345 1006 HB3 TRP 132 1HB TRP 132 -3.191 9.490 11.478 1007 HD1 TRP 132 HD TRP 132 -0.721 9.734 10.407 1008 HE1 TRP 132 1HE TRP 132 0.019 10.632 8.110 1009 HE3 TRP 132 3HE TRP 132 -5.177 9.491 7.872 1010 HZ2 TRP 132 2HZ TRP 132 -1.106 11.173 5.558 1011 HZ3 TRP 132 3HZ TRP 132 -5.296 10.222 5.508 1012 HH2 TRP 132 HH TRP 132 -3.271 11.063 4.346 1013 H ASN 133 H ASN 133 -2.351 7.034 12.981 1014 HA ASN 133 HA ASN 133 0.426 7.504 12.625 1015 HB2 ASN 133 2HB ASN 133 -0.861 6.992 14.812 1016 HB3 ASN 133 1HB ASN 133 -0.670 5.294 14.379 1017 HD21 ASN 133 1HD2 ASN 133 1.188 4.354 15.222 1018 HD22 ASN 133 2HD2 ASN 133 2.617 5.185 15.607 1019 H ILE 134 H ILE 134 -1.532 4.594 12.187 1020 HA ILE 134 HA ILE 134 0.519 2.819 11.361 1021 HB ILE 134 HB ILE 134 -2.383 2.965 10.550 1022 HG12 ILE 134 2HG1 ILE 134 -0.972 1.286 12.650 1023 HG13 ILE 134 1HG1 ILE 134 -1.920 2.734 13.000 1024 HG21 ILE 134 1HG2 ILE 134 -1.445 0.329 10.486 1025 HG22 ILE 134 2HG2 ILE 134 -0.208 1.286 9.670 1026 HG23 ILE 134 3HG2 ILE 134 -1.876 1.331 9.102 1027 HD11 ILE 134 1HD1 ILE 134 -3.169 0.534 13.265 1028 HD12 ILE 134 2HD1 ILE 134 -3.054 0.350 11.515 1029 HD13 ILE 134 3HD1 ILE 134 -3.939 1.712 12.201 1030 H HIS 135 H HIS 135 -1.477 5.185 9.676 1031 HA HIS 135 HA HIS 135 -0.392 4.665 7.074 1032 HB2 HIS 135 2HB HIS 135 -2.515 5.920 7.441 1033 HB3 HIS 135 1HB HIS 135 -1.581 7.247 8.133 1034 HD1 HIS 135 1HD HIS 135 0.584 6.070 5.678 1035 HD2 HIS 135 2HD HIS 135 -2.966 8.232 5.509 1036 HE1 HIS 135 1HE HIS 135 0.568 7.196 3.416 1037 HE2 HIS 135 2HE HIS 135 -1.601 8.529 3.291 1038 H LYS 136 H LYS 136 0.648 6.596 9.808 1039 HA LYS 136 HA LYS 136 2.461 8.339 8.581 1040 HB2 LYS 136 2HB LYS 136 1.916 8.220 11.049 1041 HB3 LYS 136 1HB LYS 136 3.034 6.868 11.148 1042 HG2 LYS 136 2HG LYS 136 4.830 8.283 10.256 1043 HG3 LYS 136 1HG LYS 136 3.718 9.645 10.195 1044 HD2 LYS 136 2HD LYS 136 3.348 9.373 12.664 1045 HD3 LYS 136 1HD LYS 136 4.619 8.149 12.670 1046 HE2 LYS 136 2HE LYS 136 6.295 9.708 12.118 1047 HE3 LYS 136 1HE LYS 136 5.128 10.885 11.514 1048 HZ1 LYS 136 1HZ LYS 136 4.745 11.675 13.556 1049 HZ2 LYS 136 2HZ LYS 136 6.226 10.946 13.962 1050 HZ3 LYS 136 3HZ LYS 136 4.765 10.140 14.279 1051 H ALA 137 H ALA 137 2.935 4.886 9.388 1052 HA ALA 137 HA ALA 137 5.712 4.929 8.499 1053 HB1 ALA 137 1HB ALA 137 3.947 2.493 8.475 1054 HB2 ALA 137 2HB ALA 137 4.719 3.100 9.938 1055 HB3 ALA 137 3HB ALA 137 5.699 2.554 8.589 1056 H LEU 138 H LEU 138 2.613 4.069 6.980 1057 HA LEU 138 HA LEU 138 3.720 3.331 4.445 1058 HB2 LEU 138 2HB LEU 138 1.019 4.551 5.104 1059 HB3 LEU 138 1HB LEU 138 1.445 3.823 3.559 1060 HG LEU 138 HG LEU 138 1.477 2.397 6.234 1061 HD11 LEU 138 1HD1 LEU 138 -0.320 1.595 4.000 1062 HD12 LEU 138 2HD1 LEU 138 -0.746 3.074 4.861 1063 HD13 LEU 138 3HD1 LEU 138 -0.602 1.553 5.741 1064 HD21 LEU 138 1HD2 LEU 138 3.008 1.162 5.040 1065 HD22 LEU 138 2HD2 LEU 138 2.398 1.719 3.482 1066 HD23 LEU 138 3HD2 LEU 138 1.542 0.453 4.363 1067 H ASP 139 H ASP 139 3.078 6.372 6.012 1068 HA ASP 139 HA ASP 139 3.615 8.561 5.406 1069 HB2 ASP 139 2HB ASP 139 5.580 6.836 4.036 1070 HB3 ASP 139 1HB ASP 139 5.415 8.450 3.351 1071 H GLY 140 H GLY 140 1.768 9.396 4.521 1072 HA2 GLY 140 2HA GLY 140 1.459 9.137 1.555 1073 HA3 GLY 140 1HA GLY 140 0.074 9.256 2.640 1074 HA PRO 141 HA PRO 141 2.615 13.521 2.621 1075 HB2 PRO 141 2HB PRO 141 3.255 13.383 -0.286 1076 HB3 PRO 141 1HB PRO 141 4.216 14.041 1.053 1077 HG2 PRO 141 2HG PRO 141 4.824 11.714 -0.084 1078 HG3 PRO 141 1HG PRO 141 5.037 11.990 1.653 1079 HD2 PRO 141 2HD PRO 141 2.939 10.392 0.247 1080 HD3 PRO 141 1HD PRO 141 3.678 10.134 1.843 1081 H SER 142 H SER 142 1.384 15.345 2.259 1082 HA SER 142 HA SER 142 -1.178 15.052 0.960 1083 HB2 SER 142 2HB SER 142 -1.617 16.784 2.322 1084 HB3 SER 142 1HB SER 142 0.092 16.894 2.734 1085 HG SER 142 HG SER 142 -0.880 17.931 0.301 1086 HA PRO 143 HA PRO 143 1.022 18.201 -2.162 1087 HB2 PRO 143 2HB PRO 143 3.704 16.906 -2.078 1088 HB3 PRO 143 1HB PRO 143 3.282 18.625 -2.224 1089 HG2 PRO 143 2HG PRO 143 4.228 17.628 0.049 1090 HG3 PRO 143 1HG PRO 143 2.970 18.878 0.042 1091 HD2 PRO 143 2HD PRO 143 2.712 15.946 0.586 1092 HD3 PRO 143 1HD PRO 143 1.830 17.308 1.314 1093 H GLY 144 H GLY 144 1.873 14.777 -1.857 1094 HA2 GLY 144 2HA GLY 144 0.867 14.348 -4.601 1095 HA3 GLY 144 1HA GLY 144 2.519 13.821 -4.265 1096 H GLU 145 H GLU 145 0.838 11.849 -4.995 1097 HA GLU 145 HA GLU 145 0.098 10.516 -2.431 1098 HB2 GLU 145 2HB GLU 145 -1.073 10.046 -5.174 1099 HB3 GLU 145 1HB GLU 145 -1.568 9.240 -3.687 1100 HG2 GLU 145 2HG GLU 145 -2.117 11.516 -2.740 1101 HG3 GLU 145 1HG GLU 145 -1.823 12.186 -4.345 1102 H THR 146 H THR 146 0.126 8.009 -2.781 1103 HA THR 146 HA THR 146 2.792 7.201 -3.261 1104 HB THR 146 HB THR 146 0.229 5.614 -3.296 1105 HG1 THR 146 1HG THR 146 0.713 6.496 -1.307 1106 HG21 THR 146 1HG2 THR 146 1.826 3.668 -2.893 1107 HG22 THR 146 2HG2 THR 146 3.113 4.744 -3.439 1108 HG23 THR 146 3HG2 THR 146 1.791 4.323 -4.533 1109 H LEU 147 H LEU 147 0.004 7.289 -5.410 1110 HA LEU 147 HA LEU 147 1.160 5.823 -7.560 1111 HB2 LEU 147 2HB LEU 147 -0.874 8.066 -7.695 1112 HB3 LEU 147 1HB LEU 147 -0.565 6.858 -8.936 1113 HG LEU 147 HG LEU 147 -0.992 5.160 -6.946 1114 HD11 LEU 147 1HD1 LEU 147 -1.701 7.654 -5.732 1115 HD12 LEU 147 2HD1 LEU 147 -1.860 6.035 -5.069 1116 HD13 LEU 147 3HD1 LEU 147 -3.183 6.739 -5.992 1117 HD21 LEU 147 1HD2 LEU 147 -3.554 5.478 -7.591 1118 HD22 LEU 147 2HD2 LEU 147 -2.385 4.905 -8.782 1119 HD23 LEU 147 3HD2 LEU 147 -2.875 6.594 -8.771 1120 H ALA 148 H ALA 148 1.418 9.186 -6.565 1121 HA ALA 148 HA ALA 148 2.568 10.179 -9.004 1122 HB1 ALA 148 1HB ALA 148 3.534 11.729 -6.849 1123 HB2 ALA 148 2HB ALA 148 1.912 11.199 -6.397 1124 HB3 ALA 148 3HB ALA 148 2.163 12.087 -7.901 1125 H ARG 149 H ARG 149 4.130 9.182 -5.933 1126 HA ARG 149 HA ARG 149 6.762 9.758 -6.934 1127 HB2 ARG 149 2HB ARG 149 7.379 8.143 -4.934 1128 HB3 ARG 149 1HB ARG 149 6.755 9.763 -4.630 1129 HG2 ARG 149 2HG ARG 149 4.770 8.986 -3.817 1130 HG3 ARG 149 1HG ARG 149 4.698 7.668 -4.985 1131 HD2 ARG 149 2HD ARG 149 5.986 6.244 -3.676 1132 HD3 ARG 149 1HD ARG 149 6.772 7.572 -2.822 1133 HE ARG 149 HE ARG 149 4.195 7.831 -1.976 1134 HH11 ARG 149 1HH1 ARG 149 3.275 6.683 -0.260 1135 HH12 ARG 149 2HH1 ARG 149 3.903 5.123 0.157 1136 HH21 ARG 149 1HH2 ARG 149 6.324 5.141 -2.325 1137 HH22 ARG 149 2HH2 ARG 149 5.629 4.251 -1.011 1138 H PHE 150 H PHE 150 5.085 6.614 -6.478 1139 HA PHE 150 HA PHE 150 7.275 5.101 -7.548 1140 HB2 PHE 150 2HB PHE 150 6.014 3.306 -7.031 1141 HB3 PHE 150 1HB PHE 150 4.919 4.470 -6.283 1142 HD1 PHE 150 1HD PHE 150 5.096 1.810 -8.526 1143 HD2 PHE 150 2HD PHE 150 3.329 5.691 -8.081 1144 HE1 PHE 150 1HE PHE 150 3.335 1.191 -10.157 1145 HE2 PHE 150 2HE PHE 150 1.560 5.077 -9.709 1146 HZ PHE 150 HZ PHE 150 1.573 2.824 -10.745 1147 H ALA 151 H ALA 151 4.491 6.663 -9.051 1148 HA ALA 151 HA ALA 151 4.742 5.394 -11.622 1149 HB1 ALA 151 1HB ALA 151 2.708 6.586 -11.031 1150 HB2 ALA 151 2HB ALA 151 3.444 7.378 -12.427 1151 HB3 ALA 151 3HB ALA 151 3.615 8.087 -10.824 1152 H ASN 152 H ASN 152 6.016 8.426 -10.305 1153 HA ASN 152 HA ASN 152 7.252 9.356 -12.693 1154 HB2 ASN 152 2HB ASN 152 7.957 11.075 -11.399 1155 HB3 ASN 152 1HB ASN 152 6.961 10.328 -10.149 1156 HD21 ASN 152 1HD2 ASN 152 8.028 9.100 -8.474 1157 HD22 ASN 152 2HD2 ASN 152 9.713 9.153 -8.261 1158 H VAL 153 H VAL 153 8.624 7.394 -10.039 1159 HA VAL 153 HA VAL 153 11.235 7.229 -11.217 1160 HB VAL 153 HB VAL 153 11.487 5.203 -9.728 1161 HG11 VAL 153 1HG1 VAL 153 10.600 6.853 -7.667 1162 HG12 VAL 153 2HG1 VAL 153 10.936 7.970 -8.989 1163 HG13 VAL 153 3HG1 VAL 153 12.201 6.889 -8.406 1164 HG21 VAL 153 1HG2 VAL 153 9.276 4.325 -9.644 1165 HG22 VAL 153 2HG2 VAL 153 8.600 5.883 -9.185 1166 HG23 VAL 153 3HG2 VAL 153 9.580 4.978 -8.037 1167 H ILE 154 H ILE 154 8.356 5.170 -11.482 1168 HA ILE 154 HA ILE 154 9.584 3.131 -13.065 1169 HB ILE 154 HB ILE 154 6.723 4.052 -12.791 1170 HG12 ILE 154 2HG1 ILE 154 8.158 1.591 -11.789 1171 HG13 ILE 154 1HG1 ILE 154 7.846 3.018 -10.818 1172 HG21 ILE 154 1HG2 ILE 154 6.871 3.031 -14.951 1173 HG22 ILE 154 2HG2 ILE 154 6.218 1.808 -13.864 1174 HG23 ILE 154 3HG2 ILE 154 7.915 1.750 -14.340 1175 HD11 ILE 154 1HD1 ILE 154 6.131 1.207 -10.509 1176 HD12 ILE 154 2HD1 ILE 154 5.670 1.433 -12.195 1177 HD13 ILE 154 3HD1 ILE 154 5.459 2.747 -11.042 1178 HBB 96F 201 HBB SUM 155 -1.320 11.799 0.914 1179 HBC 96F 201 HBC SUM 155 -2.374 11.481 -0.485 1180 HBA 96F 201 HBA SUM 155 -0.626 11.163 -0.596 1181 HA2 96F 201 2HA SUM 155 -2.102 9.738 1.580 1182 HA1 96F 201 1HA SUM 155 -0.777 9.168 0.539 1183 HAY 96F 201 HAY SUM 155 -4.863 9.345 -0.251 1184 HAZ 96F 201 HAZ SUM 155 -4.030 9.449 1.319 1185 HA0 96F 201 0HA SUM 155 -4.311 7.862 0.567 1186 HBE 96F 201 HBE SUM 155 -3.278 9.169 -2.267 1187 H1 96F 201 HAV SUM 155 -3.664 7.486 -2.409 1188 HAS 96F 201 HAS SUM 155 -5.835 5.591 -4.479 1189 HAT 96F 201 HAT SUM 155 -4.739 6.767 -3.717 1190 HAU 96F 201 HAU SUM 155 -5.451 5.458 -2.745 1191 HAK 96F 201 HAK SUM 155 -4.669 4.460 -6.011 1192 HAF 96F 201 HAF SUM 155 -2.054 2.150 -9.328 1193 HAE 96F 201 HAE SUM 155 0.033 0.996 -9.993 1194 HAD 96F 201 HAD SUM 155 1.888 0.741 -8.358 1195 HAR 96F 201 HAR SUM 155 1.663 0.810 -5.298 1196 HAQ 96F 201 HAQ SUM 155 -1.796 2.966 -1.838 Start of MODEL 11 1 H MET 1 1HT MET 1 -3.330 14.658 5.075 2 HA MET 1 HA MET 1 -3.510 12.698 6.110 3 HB2 MET 1 2HB MET 1 -1.521 12.369 7.769 4 HB3 MET 1 1HB MET 1 -1.160 12.739 6.083 5 HG2 MET 1 2HG MET 1 -0.523 14.923 6.553 6 HG3 MET 1 1HG MET 1 -1.516 15.007 8.009 7 HE1 MET 1 1HE MET 1 1.839 14.312 6.431 8 HE2 MET 1 2HE MET 1 2.806 14.611 7.873 9 HE3 MET 1 3HE MET 1 1.612 15.801 7.360 10 HA PRO 2 HA PRO 2 -5.748 14.487 9.838 11 HB2 PRO 2 2HB PRO 2 -7.888 12.730 8.811 12 HB3 PRO 2 1HB PRO 2 -7.958 14.442 9.269 13 HG2 PRO 2 2HG PRO 2 -8.065 13.606 6.711 14 HG3 PRO 2 1HG PRO 2 -7.369 15.161 7.192 15 HD2 PRO 2 2HD PRO 2 -5.980 12.659 6.341 16 HD3 PRO 2 1HD PRO 2 -5.489 14.356 6.127 17 H GLU 3 H GLU 3 -6.119 13.371 11.792 18 HA GLU 3 HA GLU 3 -4.819 10.856 12.154 19 HB2 GLU 3 2HB GLU 3 -6.858 12.284 13.888 20 HB3 GLU 3 1HB GLU 3 -5.896 10.902 14.404 21 HG2 GLU 3 2HG GLU 3 -3.824 12.194 13.927 22 HG3 GLU 3 1HG GLU 3 -4.819 13.588 13.506 23 H GLU 4 H GLU 4 -8.089 11.730 11.306 24 HA GLU 4 HA GLU 4 -9.063 8.968 11.748 25 HB2 GLU 4 2HB GLU 4 -10.452 10.973 12.355 26 HB3 GLU 4 1HB GLU 4 -10.538 11.350 10.636 27 HG2 GLU 4 2HG GLU 4 -11.531 9.103 10.218 28 HG3 GLU 4 1HG GLU 4 -11.528 8.810 11.960 29 H ILE 5 H ILE 5 -9.520 7.562 10.067 30 HA ILE 5 HA ILE 5 -8.930 8.549 7.308 31 HB ILE 5 HB ILE 5 -8.679 5.670 7.696 32 HG12 ILE 5 2HG1 ILE 5 -7.912 6.489 9.939 33 HG13 ILE 5 1HG1 ILE 5 -6.670 5.666 9.011 34 HG21 ILE 5 1HG2 ILE 5 -6.893 7.845 6.636 35 HG22 ILE 5 2HG2 ILE 5 -7.902 6.745 5.699 36 HG23 ILE 5 3HG2 ILE 5 -6.503 6.128 6.578 37 HD11 ILE 5 1HD1 ILE 5 -6.423 8.164 10.132 38 HD12 ILE 5 2HD1 ILE 5 -6.819 8.522 8.451 39 HD13 ILE 5 3HD1 ILE 5 -5.422 7.514 8.835 40 HA PRO 6 HA PRO 6 -13.223 6.942 7.210 41 HB2 PRO 6 2HB PRO 6 -14.234 8.887 5.573 42 HB3 PRO 6 1HB PRO 6 -14.111 9.065 7.333 43 HG2 PRO 6 2HG PRO 6 -12.476 10.269 5.198 44 HG3 PRO 6 1HG PRO 6 -12.829 10.863 6.826 45 HD2 PRO 6 2HD PRO 6 -10.436 9.617 5.986 46 HD3 PRO 6 1HD PRO 6 -10.915 9.948 7.663 47 H ASP 7 H ASP 7 -14.521 6.207 5.268 48 HA ASP 7 HA ASP 7 -12.832 4.934 3.343 49 HB2 ASP 7 2HB ASP 7 -14.982 4.356 2.208 50 HB3 ASP 7 1HB ASP 7 -15.000 3.991 3.933 51 H VAL 8 H VAL 8 -11.967 5.748 1.515 52 HA VAL 8 HA VAL 8 -13.333 8.005 0.135 53 HB VAL 8 HB VAL 8 -11.523 8.929 1.594 54 HG11 VAL 8 1HG1 VAL 8 -9.429 8.061 1.626 55 HG12 VAL 8 2HG1 VAL 8 -9.379 7.894 -0.129 56 HG13 VAL 8 3HG1 VAL 8 -10.155 6.653 0.853 57 HG21 VAL 8 1HG2 VAL 8 -11.174 10.502 0.008 58 HG22 VAL 8 2HG2 VAL 8 -12.052 9.448 -1.101 59 HG23 VAL 8 3HG2 VAL 8 -10.291 9.369 -1.015 60 H ARG 9 H ARG 9 -13.155 7.876 -2.125 61 HA ARG 9 HA ARG 9 -11.518 5.591 -3.171 62 HB2 ARG 9 2HB ARG 9 -13.975 5.168 -3.259 63 HB3 ARG 9 1HB ARG 9 -14.156 6.607 -4.266 64 HG2 ARG 9 2HG ARG 9 -12.676 5.628 -5.965 65 HG3 ARG 9 1HG ARG 9 -12.442 4.200 -4.955 66 HD2 ARG 9 2HD ARG 9 -14.135 3.651 -6.579 67 HD3 ARG 9 1HD ARG 9 -14.950 3.857 -5.028 68 HE ARG 9 HE ARG 9 -14.890 6.332 -6.531 69 HH11 ARG 9 1HH1 ARG 9 -16.856 7.026 -7.400 70 HH12 ARG 9 2HH1 ARG 9 -18.171 5.908 -7.536 71 HH21 ARG 9 1HH2 ARG 9 -16.401 3.253 -6.180 72 HH22 ARG 9 2HH2 ARG 9 -17.914 3.772 -6.844 73 H LYS 10 H LYS 10 -9.913 6.292 -4.467 74 HA LYS 10 HA LYS 10 -10.420 8.641 -6.233 75 HB2 LYS 10 2HB LYS 10 -7.943 8.196 -4.535 76 HB3 LYS 10 1HB LYS 10 -8.121 9.459 -5.756 77 HG2 LYS 10 2HG LYS 10 -10.105 10.326 -4.507 78 HG3 LYS 10 1HG LYS 10 -9.794 9.130 -3.249 79 HD2 LYS 10 2HD LYS 10 -7.508 10.094 -2.955 80 HD3 LYS 10 1HD LYS 10 -7.921 11.348 -4.125 81 HE2 LYS 10 2HE LYS 10 -8.757 11.052 -1.308 82 HE3 LYS 10 1HE LYS 10 -8.619 12.507 -2.294 83 HZ1 LYS 10 1HZ LYS 10 -10.813 10.513 -2.463 84 HZ2 LYS 10 2HZ LYS 10 -10.682 11.928 -3.394 85 HZ3 LYS 10 3HZ LYS 10 -10.920 12.032 -1.715 86 H SER 11 H SER 11 -9.302 8.517 -8.249 87 HA SER 11 HA SER 11 -7.613 6.102 -8.672 88 HB2 SER 11 2HB SER 11 -9.989 5.597 -9.345 89 HB3 SER 11 1HB SER 11 -9.863 6.881 -10.535 90 HG SER 11 HG SER 11 -8.777 5.579 -11.760 91 H VAL 12 H VAL 12 -5.977 6.410 -10.158 92 HA VAL 12 HA VAL 12 -5.995 8.882 -11.803 93 HB VAL 12 HB VAL 12 -3.973 8.169 -9.698 94 HG11 VAL 12 1HG1 VAL 12 -2.576 8.435 -11.609 95 HG12 VAL 12 2HG1 VAL 12 -2.569 10.010 -10.815 96 HG13 VAL 12 3HG1 VAL 12 -3.570 9.747 -12.243 97 HG21 VAL 12 1HG2 VAL 12 -4.214 10.565 -9.172 98 HG22 VAL 12 2HG2 VAL 12 -5.784 9.762 -9.159 99 HG23 VAL 12 3HG2 VAL 12 -5.313 10.755 -10.538 100 H VAL 13 H VAL 13 -4.469 8.754 -13.611 101 HA VAL 13 HA VAL 13 -3.828 5.929 -14.300 102 HB VAL 13 HB VAL 13 -5.304 7.415 -15.813 103 HG11 VAL 13 1HG1 VAL 13 -4.216 9.033 -17.179 104 HG12 VAL 13 2HG1 VAL 13 -2.616 8.494 -16.671 105 HG13 VAL 13 3HG1 VAL 13 -3.653 9.362 -15.541 106 HG21 VAL 13 1HG2 VAL 13 -3.568 6.667 -17.814 107 HG22 VAL 13 2HG2 VAL 13 -4.728 5.587 -17.041 108 HG23 VAL 13 3HG2 VAL 13 -3.056 5.630 -16.482 109 H VAL 14 H VAL 14 -1.720 5.340 -14.687 110 HA VAL 14 HA VAL 14 0.341 7.500 -14.670 111 HB VAL 14 HB VAL 14 1.749 6.166 -13.200 112 HG11 VAL 14 1HG1 VAL 14 -0.637 7.419 -12.464 113 HG12 VAL 14 2HG1 VAL 14 0.691 6.994 -11.387 114 HG13 VAL 14 3HG1 VAL 14 -0.666 5.886 -11.594 115 HG21 VAL 14 1HG2 VAL 14 0.037 4.167 -12.223 116 HG22 VAL 14 2HG2 VAL 14 1.463 3.929 -13.234 117 HG23 VAL 14 3HG2 VAL 14 -0.129 4.091 -13.977 118 H ALA 15 H ALA 15 2.477 6.695 -15.542 119 HA ALA 15 HA ALA 15 1.997 5.173 -17.992 120 HB1 ALA 15 1HB ALA 15 3.595 7.205 -17.592 121 HB2 ALA 15 2HB ALA 15 4.094 5.908 -18.678 122 HB3 ALA 15 3HB ALA 15 4.719 5.967 -17.029 123 H ALA 16 H ALA 16 1.630 2.978 -17.392 124 HA ALA 16 HA ALA 16 3.951 1.370 -16.935 125 HB1 ALA 16 1HB ALA 16 2.399 2.248 -14.552 126 HB2 ALA 16 2HB ALA 16 4.097 1.786 -14.682 127 HB3 ALA 16 3HB ALA 16 2.847 0.543 -14.616 128 H SER 17 H SER 17 3.319 -0.956 -16.666 129 HA SER 17 HA SER 17 0.662 -1.439 -17.909 130 HB2 SER 17 2HB SER 17 2.662 -2.346 -19.094 131 HB3 SER 17 1HB SER 17 3.058 -3.292 -17.662 132 HG SER 17 HG SER 17 1.489 -3.993 -19.613 133 H VAL 18 H VAL 18 -0.781 -2.946 -16.882 134 HA VAL 18 HA VAL 18 -0.851 -2.956 -14.081 135 HB VAL 18 HB VAL 18 -2.455 -4.828 -14.293 136 HG11 VAL 18 1HG1 VAL 18 -2.897 -2.969 -16.613 137 HG12 VAL 18 2HG1 VAL 18 -2.937 -2.365 -14.963 138 HG13 VAL 18 3HG1 VAL 18 -4.084 -3.602 -15.479 139 HG21 VAL 18 1HG2 VAL 18 -1.242 -4.926 -17.047 140 HG22 VAL 18 2HG2 VAL 18 -2.887 -5.501 -16.774 141 HG23 VAL 18 3HG2 VAL 18 -1.537 -6.254 -15.924 142 H GLU 19 H GLU 19 0.504 -5.429 -16.253 143 HA GLU 19 HA GLU 19 1.277 -7.262 -14.209 144 HB2 GLU 19 2HB GLU 19 1.285 -7.758 -16.673 145 HB3 GLU 19 1HB GLU 19 2.712 -6.737 -16.819 146 HG2 GLU 19 2HG GLU 19 3.883 -8.187 -15.164 147 HG3 GLU 19 1HG GLU 19 2.472 -9.246 -15.138 148 H HIS 20 H HIS 20 2.877 -4.458 -15.643 149 HA HIS 20 HA HIS 20 5.357 -4.740 -14.212 150 HB2 HIS 20 2HB HIS 20 5.314 -3.283 -16.128 151 HB3 HIS 20 1HB HIS 20 3.995 -2.331 -15.439 152 HD1 HIS 20 1HD HIS 20 7.656 -2.623 -15.478 153 HD2 HIS 20 2HD HIS 20 4.800 -0.887 -12.970 154 HE1 HIS 20 1HE HIS 20 8.903 -1.057 -13.932 155 HE2 HIS 20 2HE HIS 20 7.177 0.024 -12.429 156 H CYS 21 H CYS 21 2.335 -3.028 -13.546 157 HA CYS 21 HA CYS 21 3.068 -1.528 -11.313 158 HB2 CYS 21 2HB CYS 21 0.510 -3.079 -11.804 159 HB3 CYS 21 1HB CYS 21 0.701 -1.844 -10.563 160 HG CYS 21 HG CYS 21 0.058 -0.274 -12.378 161 H PHE 22 H PHE 22 2.172 -4.963 -11.460 162 HA PHE 22 HA PHE 22 2.641 -5.233 -8.586 163 HB2 PHE 22 2HB PHE 22 1.442 -6.878 -10.667 164 HB3 PHE 22 1HB PHE 22 2.489 -7.811 -9.586 165 HD1 PHE 22 1HD PHE 22 -0.343 -5.407 -9.687 166 HD2 PHE 22 2HD PHE 22 1.906 -8.184 -7.301 167 HE1 PHE 22 1HE PHE 22 -1.998 -5.180 -7.868 168 HE2 PHE 22 2HE PHE 22 0.240 -7.971 -5.473 169 HZ PHE 22 HZ PHE 22 -1.710 -6.456 -5.765 170 H GLU 23 H GLU 23 4.474 -5.642 -11.514 171 HA GLU 23 HA GLU 23 6.498 -7.382 -10.505 172 HB2 GLU 23 2HB GLU 23 6.368 -6.734 -12.888 173 HB3 GLU 23 1HB GLU 23 6.776 -5.077 -12.448 174 HG2 GLU 23 2HG GLU 23 8.922 -5.866 -11.494 175 HG3 GLU 23 1HG GLU 23 8.525 -7.510 -12.002 176 H VAL 24 H VAL 24 6.014 -3.888 -10.315 177 HA VAL 24 HA VAL 24 8.459 -3.300 -8.935 178 HB VAL 24 HB VAL 24 5.805 -1.829 -8.877 179 HG11 VAL 24 1HG1 VAL 24 7.385 -1.165 -7.105 180 HG12 VAL 24 2HG1 VAL 24 7.195 0.114 -8.302 181 HG13 VAL 24 3HG1 VAL 24 8.634 -0.904 -8.319 182 HG21 VAL 24 1HG2 VAL 24 6.228 -1.185 -10.984 183 HG22 VAL 24 2HG2 VAL 24 7.574 -2.323 -11.033 184 HG23 VAL 24 3HG2 VAL 24 7.848 -0.651 -10.538 185 H PHE 25 H PHE 25 5.165 -4.077 -7.883 186 HA PHE 25 HA PHE 25 5.408 -3.572 -5.126 187 HB2 PHE 25 2HB PHE 25 3.818 -5.605 -6.681 188 HB3 PHE 25 1HB PHE 25 3.686 -5.467 -4.936 189 HD1 PHE 25 1HD PHE 25 1.266 -4.962 -5.324 190 HD2 PHE 25 2HD PHE 25 4.374 -2.340 -6.737 191 HE1 PHE 25 1HE PHE 25 -0.377 -3.133 -5.582 192 HE2 PHE 25 2HE PHE 25 2.729 -0.530 -6.987 193 HZ PHE 25 HZ PHE 25 0.354 -0.919 -6.412 194 H THR 26 H THR 26 6.111 -6.612 -6.867 195 HA THR 26 HA THR 26 7.248 -7.705 -4.363 196 HB THR 26 HB THR 26 7.336 -9.832 -5.612 197 HG1 THR 26 1HG THR 26 7.164 -8.175 -7.674 198 HG21 THR 26 1HG2 THR 26 4.682 -9.543 -6.318 199 HG22 THR 26 2HG2 THR 26 4.912 -8.260 -5.131 200 HG23 THR 26 3HG2 THR 26 5.267 -9.936 -4.701 201 H SER 27 H SER 27 8.420 -5.920 -6.951 202 HA SER 27 HA SER 27 10.969 -7.402 -7.118 203 HB2 SER 27 2HB SER 27 10.161 -6.536 -9.207 204 HB3 SER 27 1HB SER 27 9.986 -4.925 -8.524 205 HG SER 27 HG SER 27 12.483 -6.067 -8.261 206 H ARG 28 H ARG 28 9.935 -4.091 -6.101 207 HA ARG 28 HA ARG 28 11.932 -4.069 -4.011 208 HB2 ARG 28 2HB ARG 28 13.231 -2.110 -5.150 209 HB3 ARG 28 1HB ARG 28 13.626 -3.767 -5.587 210 HG2 ARG 28 2HG ARG 28 13.444 -2.510 -7.634 211 HG3 ARG 28 1HG ARG 28 12.027 -3.541 -7.544 212 HD2 ARG 28 2HD ARG 28 10.643 -1.696 -6.840 213 HD3 ARG 28 1HD ARG 28 12.049 -0.653 -6.625 214 HE ARG 28 HE ARG 28 10.785 -1.346 -9.185 215 HH11 ARG 28 1HH1 ARG 28 11.597 -0.207 -10.958 216 HH12 ARG 28 2HH1 ARG 28 13.066 0.694 -10.793 217 HH21 ARG 28 1HH2 ARG 28 13.522 -0.147 -7.461 218 HH22 ARG 28 2HH2 ARG 28 14.155 0.730 -8.814 219 HA PRO 29 HA PRO 29 8.396 -0.858 -4.112 220 HB2 PRO 29 2HB PRO 29 7.696 -1.590 -1.477 221 HB3 PRO 29 1HB PRO 29 6.795 -1.952 -2.958 222 HG2 PRO 29 2HG PRO 29 8.621 -3.657 -1.399 223 HG3 PRO 29 1HG PRO 29 7.252 -4.093 -2.425 224 HD2 PRO 29 2HD PRO 29 9.823 -4.508 -3.212 225 HD3 PRO 29 1HD PRO 29 8.526 -4.135 -4.361 226 H ALA 30 H ALA 30 10.808 -1.775 -1.692 227 HA ALA 30 HA ALA 30 10.673 0.785 -0.322 228 HB1 ALA 30 1HB ALA 30 12.828 -0.031 0.733 229 HB2 ALA 30 2HB ALA 30 12.649 -1.490 -0.233 230 HB3 ALA 30 3HB ALA 30 11.427 -1.075 0.967 231 H ASP 31 H ASP 31 12.834 -0.619 -2.763 232 HA ASP 31 HA ASP 31 14.847 1.338 -2.759 233 HB2 ASP 31 2HB ASP 31 14.780 -0.762 -4.174 234 HB3 ASP 31 1HB ASP 31 13.714 0.109 -5.279 235 H TRP 32 H TRP 32 11.585 1.545 -4.126 236 HA TRP 32 HA TRP 32 12.257 4.241 -5.186 237 HB2 TRP 32 2HB TRP 32 10.711 3.827 -6.782 238 HB3 TRP 32 1HB TRP 32 10.548 2.197 -6.133 239 HD1 TRP 32 HD TRP 32 9.177 5.718 -5.295 240 HE1 TRP 32 1HE TRP 32 6.737 5.471 -4.522 241 HE3 TRP 32 3HE TRP 32 8.652 0.679 -5.703 242 HZ2 TRP 32 2HZ TRP 32 4.822 3.400 -4.143 243 HZ3 TRP 32 3HZ TRP 32 6.481 -0.412 -5.149 244 HH2 TRP 32 HH TRP 32 4.567 0.949 -4.371 245 H TRP 33 H TRP 33 12.220 5.711 -3.556 246 HA TRP 33 HA TRP 33 9.949 5.603 -1.614 247 HB2 TRP 33 2HB TRP 33 11.411 6.837 -0.075 248 HB3 TRP 33 1HB TRP 33 12.230 5.379 -0.630 249 HD1 TRP 33 HD TRP 33 12.032 9.128 -1.515 250 HE1 TRP 33 1HE TRP 33 14.325 9.862 -2.441 251 HE3 TRP 33 3HE TRP 33 14.458 4.639 -1.506 252 HZ2 TRP 33 2HZ TRP 33 16.856 8.692 -3.091 253 HZ3 TRP 33 3HZ TRP 33 16.806 4.474 -2.282 254 HH2 TRP 33 HH TRP 33 18.007 6.494 -3.074 255 HA PRO 34 HA PRO 34 8.474 9.387 -3.384 256 HB2 PRO 34 2HB PRO 34 7.412 10.610 -1.144 257 HB3 PRO 34 1HB PRO 34 6.605 9.333 -2.071 258 HG2 PRO 34 2HG PRO 34 8.083 9.168 0.494 259 HG3 PRO 34 1HG PRO 34 6.661 8.267 -0.055 260 HD2 PRO 34 2HD PRO 34 9.182 7.199 -0.010 261 HD3 PRO 34 1HD PRO 34 7.924 6.674 -1.148 262 HA PRO 35 HA PRO 35 11.910 12.137 -2.246 263 HB2 PRO 35 2HB PRO 35 11.723 13.845 -4.357 264 HB3 PRO 35 1HB PRO 35 12.449 12.231 -4.491 265 HG2 PRO 35 2HG PRO 35 9.766 13.175 -5.337 266 HG3 PRO 35 1HG PRO 35 10.846 11.997 -6.101 267 HD2 PRO 35 2HD PRO 35 8.640 11.331 -4.553 268 HD3 PRO 35 1HD PRO 35 10.017 10.252 -4.859 269 H SER 36 H SER 36 11.780 13.816 -0.805 270 HA SER 36 HA SER 36 9.904 16.026 -1.258 271 HB2 SER 36 2HB SER 36 8.649 15.759 0.779 272 HB3 SER 36 1HB SER 36 8.566 14.225 -0.082 273 HG SER 36 HG SER 36 10.598 14.747 1.805 274 H HIS 37 H HIS 37 10.149 17.651 0.641 275 HA HIS 37 HA HIS 37 12.863 18.375 0.930 276 HB2 HIS 37 2HB HIS 37 10.939 19.911 1.333 277 HB3 HIS 37 1HB HIS 37 10.591 19.044 2.829 278 HD1 HIS 37 1HD HIS 37 12.136 19.456 4.841 279 HD2 HIS 37 2HD HIS 37 13.367 21.466 1.398 280 HE1 HIS 37 1HE HIS 37 13.952 21.070 5.563 281 HE2 HIS 37 2HE HIS 37 14.708 22.297 3.476 282 H VAL 38 H VAL 38 10.808 16.335 2.950 283 HA VAL 38 HA VAL 38 13.118 15.873 4.781 284 HB VAL 38 HB VAL 38 10.208 15.096 5.137 285 HG11 VAL 38 1HG1 VAL 38 11.491 13.666 6.503 286 HG12 VAL 38 2HG1 VAL 38 11.079 14.998 7.583 287 HG13 VAL 38 3HG1 VAL 38 12.682 14.918 6.852 288 HG21 VAL 38 1HG2 VAL 38 9.881 17.274 5.637 289 HG22 VAL 38 2HG2 VAL 38 11.603 17.624 5.481 290 HG23 VAL 38 3HG2 VAL 38 10.956 17.046 7.016 291 H LEU 39 H LEU 39 14.068 13.868 4.855 292 HA LEU 39 HA LEU 39 13.382 11.949 2.762 293 HB2 LEU 39 2HB LEU 39 15.378 11.677 5.031 294 HB3 LEU 39 1HB LEU 39 15.320 10.705 3.559 295 HG LEU 39 HG LEU 39 15.858 13.685 3.724 296 HD11 LEU 39 1HD1 LEU 39 17.540 11.239 3.418 297 HD12 LEU 39 2HD1 LEU 39 17.912 12.765 4.219 298 HD13 LEU 39 3HD1 LEU 39 17.986 12.651 2.461 299 HD21 LEU 39 1HD2 LEU 39 14.740 13.476 1.686 300 HD22 LEU 39 2HD2 LEU 39 15.283 11.815 1.445 301 HD23 LEU 39 3HD2 LEU 39 16.403 13.154 1.195 302 H VAL 40 H VAL 40 12.916 9.653 3.252 303 HA VAL 40 HA VAL 40 10.679 9.164 4.776 304 HB VAL 40 HB VAL 40 11.758 7.487 3.274 305 HG11 VAL 40 1HG1 VAL 40 13.635 6.167 4.088 306 HG12 VAL 40 2HG1 VAL 40 13.633 7.044 5.618 307 HG13 VAL 40 3HG1 VAL 40 14.078 7.874 4.127 308 HG21 VAL 40 1HG2 VAL 40 10.038 6.718 4.824 309 HG22 VAL 40 2HG2 VAL 40 11.222 6.588 6.123 310 HG23 VAL 40 3HG2 VAL 40 11.312 5.502 4.737 311 H LYS 41 H LYS 41 10.207 8.912 6.951 312 HA LYS 41 HA LYS 41 12.014 9.905 8.919 313 HB2 LYS 41 2HB LYS 41 9.567 8.156 9.238 314 HB3 LYS 41 1HB LYS 41 10.389 8.972 10.566 315 HG2 LYS 41 2HG LYS 41 10.002 11.152 9.407 316 HG3 LYS 41 1HG LYS 41 9.068 10.294 8.179 317 HD2 LYS 41 2HD LYS 41 7.550 9.455 9.971 318 HD3 LYS 41 1HD LYS 41 8.441 10.427 11.142 319 HE2 LYS 41 2HE LYS 41 7.876 12.471 9.893 320 HE3 LYS 41 1HE LYS 41 7.002 11.509 8.702 321 HZ1 LYS 41 1HZ LYS 41 5.840 12.606 10.812 322 HZ2 LYS 41 2HZ LYS 41 6.261 11.104 11.483 323 HZ3 LYS 41 3HZ LYS 41 5.283 11.173 10.096 324 H LYS 42 H LYS 42 11.257 6.624 7.860 325 HA LYS 42 HA LYS 42 13.506 5.632 9.570 326 HB2 LYS 42 2HB LYS 42 12.370 3.485 9.659 327 HB3 LYS 42 1HB LYS 42 11.228 4.733 10.155 328 HG2 LYS 42 2HG LYS 42 10.376 4.804 7.792 329 HG3 LYS 42 1HG LYS 42 11.412 3.424 7.429 330 HD2 LYS 42 2HD LYS 42 10.267 2.185 9.315 331 HD3 LYS 42 1HD LYS 42 9.120 3.523 9.405 332 HE2 LYS 42 2HE LYS 42 7.954 2.679 7.679 333 HE3 LYS 42 1HE LYS 42 9.393 2.716 6.660 334 HZ1 LYS 42 1HZ LYS 42 9.083 0.498 6.698 335 HZ2 LYS 42 2HZ LYS 42 8.242 0.515 8.174 336 HZ3 LYS 42 3HZ LYS 42 9.939 0.607 8.158 337 H GLU 43 H GLU 43 15.066 4.344 8.515 338 HA GLU 43 HA GLU 43 15.064 4.583 5.585 339 HB2 GLU 43 2HB GLU 43 17.107 3.397 7.471 340 HB3 GLU 43 1HB GLU 43 17.347 3.648 5.745 341 HG2 GLU 43 2HG GLU 43 16.948 6.080 6.067 342 HG3 GLU 43 1HG GLU 43 16.798 5.806 7.804 343 H ARG 44 H ARG 44 14.292 3.011 4.288 344 HA ARG 44 HA ARG 44 13.321 0.511 5.326 345 HB2 ARG 44 2HB ARG 44 13.916 1.306 2.458 346 HB3 ARG 44 1HB ARG 44 12.926 -0.064 2.974 347 HG2 ARG 44 2HG ARG 44 11.410 1.510 4.164 348 HG3 ARG 44 1HG ARG 44 12.361 2.858 3.552 349 HD2 ARG 44 2HD ARG 44 11.898 1.994 1.219 350 HD3 ARG 44 1HD ARG 44 10.756 0.864 1.946 351 HE ARG 44 HE ARG 44 9.774 3.134 2.943 352 HH11 ARG 44 1HH1 ARG 44 8.507 4.692 1.920 353 HH12 ARG 44 2HH1 ARG 44 8.656 4.928 0.211 354 HH21 ARG 44 1HH2 ARG 44 11.081 2.489 -0.195 355 HH22 ARG 44 2HH2 ARG 44 10.111 3.687 -0.980 356 H ALA 45 H ALA 45 14.278 -1.550 5.232 357 HA ALA 45 HA ALA 45 17.175 -1.575 4.461 358 HB1 ALA 45 1HB ALA 45 16.508 -3.605 6.391 359 HB2 ALA 45 2HB ALA 45 15.979 -2.030 6.980 360 HB3 ALA 45 3HB ALA 45 17.668 -2.283 6.535 361 H GLY 46 H GLY 46 14.326 -3.696 4.927 362 HA2 GLY 46 2HA GLY 46 15.158 -5.182 2.501 363 HA3 GLY 46 1HA GLY 46 15.043 -6.104 3.998 364 H LEU 47 H LEU 47 13.412 -6.859 1.948 365 HA LEU 47 HA LEU 47 10.770 -6.292 3.096 366 HB2 LEU 47 2HB LEU 47 10.365 -6.093 0.291 367 HB3 LEU 47 1HB LEU 47 10.061 -4.865 1.517 368 HG LEU 47 HG LEU 47 12.352 -4.043 1.311 369 HD11 LEU 47 1HD1 LEU 47 13.280 -5.303 -1.039 370 HD12 LEU 47 2HD1 LEU 47 12.750 -6.606 0.020 371 HD13 LEU 47 3HD1 LEU 47 13.960 -5.456 0.580 372 HD21 LEU 47 1HD2 LEU 47 10.908 -2.959 -0.199 373 HD22 LEU 47 2HD2 LEU 47 10.745 -4.399 -1.195 374 HD23 LEU 47 3HD2 LEU 47 12.246 -3.485 -1.223 375 H ALA 48 H ALA 48 9.546 -8.118 3.030 376 HA ALA 48 HA ALA 48 10.496 -10.320 1.258 377 HB1 ALA 48 1HB ALA 48 10.021 -10.403 3.955 378 HB2 ALA 48 2HB ALA 48 9.925 -11.810 2.896 379 HB3 ALA 48 3HB ALA 48 8.462 -10.927 3.319 380 H PHE 49 H PHE 49 9.146 -11.011 -0.371 381 HA PHE 49 HA PHE 49 6.323 -10.044 -0.333 382 HB2 PHE 49 2HB PHE 49 8.499 -9.239 -2.126 383 HB3 PHE 49 1HB PHE 49 7.063 -9.809 -2.976 384 HD1 PHE 49 1HD PHE 49 8.371 -7.321 -0.584 385 HD2 PHE 49 2HD PHE 49 4.984 -8.600 -2.886 386 HE1 PHE 49 1HE PHE 49 7.264 -5.144 -0.168 387 HE2 PHE 49 2HE PHE 49 3.878 -6.424 -2.478 388 HZ PHE 49 HZ PHE 49 5.019 -4.702 -1.124 389 H GLU 50 H GLU 50 4.984 -11.740 -0.786 390 HA GLU 50 HA GLU 50 6.012 -13.778 -2.720 391 HB2 GLU 50 2HB GLU 50 4.243 -15.045 -0.881 392 HB3 GLU 50 1HB GLU 50 5.928 -15.414 -1.199 393 HG2 GLU 50 2HG GLU 50 6.665 -13.784 0.430 394 HG3 GLU 50 1HG GLU 50 5.017 -13.206 0.669 395 HA PRO 51 HA PRO 51 1.970 -12.794 -4.437 396 HB2 PRO 51 2HB PRO 51 1.981 -14.342 -6.606 397 HB3 PRO 51 1HB PRO 51 3.127 -12.996 -6.436 398 HG2 PRO 51 2HG PRO 51 3.571 -15.918 -6.016 399 HG3 PRO 51 1HG PRO 51 4.610 -14.726 -6.817 400 HD2 PRO 51 2HD PRO 51 4.948 -15.577 -4.192 401 HD3 PRO 51 1HD PRO 51 5.556 -14.040 -4.850 402 H PHE 52 H PHE 52 -0.108 -13.540 -4.082 403 HA PHE 52 HA PHE 52 -1.125 -16.127 -4.452 404 HB2 PHE 52 2HB PHE 52 -1.315 -16.682 -1.871 405 HB3 PHE 52 1HB PHE 52 0.092 -17.193 -2.793 406 HD1 PHE 52 1HD PHE 52 1.282 -17.313 -0.582 407 HD2 PHE 52 2HD PHE 52 -0.195 -13.588 -2.144 408 HE1 PHE 52 1HE PHE 52 2.778 -16.057 0.941 409 HE2 PHE 52 2HE PHE 52 1.326 -12.355 -0.674 410 HZ PHE 52 HZ PHE 52 2.800 -13.572 0.890 411 H VAL 53 H VAL 53 -3.071 -16.492 -2.719 412 HA VAL 53 HA VAL 53 -4.602 -13.941 -2.732 413 HB VAL 53 HB VAL 53 -6.141 -15.406 -3.582 414 HG11 VAL 53 1HG1 VAL 53 -4.477 -17.160 -3.914 415 HG12 VAL 53 2HG1 VAL 53 -5.968 -17.869 -3.292 416 HG13 VAL 53 3HG1 VAL 53 -4.594 -17.624 -2.215 417 HG21 VAL 53 1HG2 VAL 53 -6.887 -14.942 -1.189 418 HG22 VAL 53 2HG2 VAL 53 -6.253 -16.536 -0.774 419 HG23 VAL 53 3HG2 VAL 53 -7.575 -16.386 -1.929 420 H GLY 54 H GLY 54 -5.352 -13.069 -0.692 421 HA2 GLY 54 2HA GLY 54 -5.280 -12.806 1.673 422 HA3 GLY 54 1HA GLY 54 -5.102 -14.565 1.785 423 H GLY 55 H GLY 55 -3.154 -12.546 -0.192 424 HA2 GLY 55 2HA GLY 55 -0.717 -13.686 0.710 425 HA3 GLY 55 1HA GLY 55 -0.893 -12.343 -0.413 426 H ARG 56 H ARG 56 1.251 -12.148 1.044 427 HA ARG 56 HA ARG 56 0.629 -9.930 2.897 428 HB2 ARG 56 2HB ARG 56 2.167 -12.410 3.683 429 HB3 ARG 56 1HB ARG 56 2.206 -10.908 4.606 430 HG2 ARG 56 2HG ARG 56 -0.273 -11.014 4.816 431 HG3 ARG 56 1HG ARG 56 -0.253 -12.571 3.988 432 HD2 ARG 56 2HD ARG 56 1.294 -13.425 5.774 433 HD3 ARG 56 1HD ARG 56 1.062 -11.904 6.635 434 HE ARG 56 HE ARG 56 -1.517 -12.783 6.231 435 HH11 ARG 56 1HH1 ARG 56 -2.601 -14.152 7.667 436 HH12 ARG 56 2HH1 ARG 56 -1.688 -15.215 8.684 437 HH21 ARG 56 1HH2 ARG 56 1.386 -14.174 7.464 438 HH22 ARG 56 2HH2 ARG 56 0.568 -15.230 8.568 439 H TYR 57 H TYR 57 2.218 -8.428 3.082 440 HA TYR 57 HA TYR 57 4.763 -8.845 1.579 441 HB2 TYR 57 2HB TYR 57 3.268 -6.224 1.890 442 HB3 TYR 57 1HB TYR 57 4.724 -6.497 0.942 443 HD1 TYR 57 1HD TYR 57 4.097 -9.061 -0.466 444 HD2 TYR 57 2HD TYR 57 1.610 -5.646 0.355 445 HE1 TYR 57 1HE TYR 57 2.680 -9.629 -2.403 446 HE2 TYR 57 2HE TYR 57 0.199 -6.217 -1.600 447 HH TYR 57 HH TYR 57 -0.284 -7.829 -3.109 448 H TYR 58 H TYR 58 6.640 -8.076 2.656 449 HA TYR 58 HA TYR 58 6.164 -7.074 5.439 450 HB2 TYR 58 2HB TYR 58 8.307 -9.033 4.589 451 HB3 TYR 58 1HB TYR 58 7.890 -8.552 6.231 452 HD1 TYR 58 1HD TYR 58 6.310 -9.785 7.453 453 HD2 TYR 58 2HD TYR 58 6.373 -10.087 3.170 454 HE1 TYR 58 1HE TYR 58 4.587 -11.566 7.547 455 HE2 TYR 58 2HE TYR 58 4.657 -11.860 3.260 456 HH TYR 58 HH TYR 58 3.976 -13.656 5.249 457 H GLU 59 H GLU 59 7.764 -5.679 6.297 458 HA GLU 59 HA GLU 59 9.825 -4.669 4.370 459 HB2 GLU 59 2HB GLU 59 7.861 -3.132 4.461 460 HB3 GLU 59 1HB GLU 59 8.103 -2.968 6.199 461 HG2 GLU 59 2HG GLU 59 10.401 -2.113 5.759 462 HG3 GLU 59 1HG GLU 59 10.069 -2.192 4.028 463 H TRP 60 H TRP 60 11.801 -4.124 5.322 464 HA TRP 60 HA TRP 60 12.068 -4.831 8.220 465 HB2 TRP 60 2HB TRP 60 13.728 -5.245 5.821 466 HB3 TRP 60 1HB TRP 60 14.629 -4.620 7.201 467 HD1 TRP 60 HD TRP 60 14.053 -6.032 9.605 468 HE1 TRP 60 1HE TRP 60 13.908 -8.602 9.875 469 HE3 TRP 60 3HE TRP 60 13.344 -7.405 4.733 470 HZ2 TRP 60 2HZ TRP 60 13.519 -10.914 8.230 471 HZ3 TRP 60 3HZ TRP 60 13.100 -9.787 4.112 472 HH2 TRP 60 HH TRP 60 13.195 -11.544 5.850 473 H ASP 61 H ASP 61 12.629 -3.188 9.641 474 HA ASP 61 HA ASP 61 13.559 -0.618 8.385 475 HB2 ASP 61 2HB ASP 61 13.029 -0.335 11.198 476 HB3 ASP 61 1HB ASP 61 12.237 0.465 9.842 477 H ILE 62 H ILE 62 15.599 0.180 8.966 478 HA ILE 62 HA ILE 62 17.597 -1.602 9.739 479 HB ILE 62 HB ILE 62 19.052 0.294 10.049 480 HG12 ILE 62 2HG1 ILE 62 17.568 1.651 11.497 481 HG13 ILE 62 1HG1 ILE 62 18.231 2.592 10.176 482 HG21 ILE 62 1HG2 ILE 62 18.659 1.476 7.959 483 HG22 ILE 62 2HG2 ILE 62 16.990 0.918 7.938 484 HG23 ILE 62 3HG2 ILE 62 18.306 -0.239 7.759 485 HD11 ILE 62 1HD1 ILE 62 16.029 2.019 8.928 486 HD12 ILE 62 2HD1 ILE 62 15.957 3.209 10.217 487 HD13 ILE 62 3HD1 ILE 62 15.414 1.563 10.510 488 H ASP 63 H ASP 63 15.708 0.527 11.856 489 HA ASP 63 HA ASP 63 17.048 -0.748 14.195 490 HB2 ASP 63 2HB ASP 63 15.305 1.730 13.988 491 HB3 ASP 63 1HB ASP 63 15.942 1.081 15.499 492 H GLY 64 H GLY 64 14.356 -0.901 12.229 493 HA2 GLY 64 2HA GLY 64 12.683 -2.059 14.397 494 HA3 GLY 64 1HA GLY 64 12.033 -1.373 12.915 495 H THR 65 H THR 65 12.131 -4.102 14.306 496 HA THR 65 HA THR 65 13.383 -5.987 12.573 497 HB THR 65 HB THR 65 10.818 -6.670 13.915 498 HG1 THR 65 1HG THR 65 12.012 -6.676 15.932 499 HG21 THR 65 1HG2 THR 65 12.227 -8.580 14.701 500 HG22 THR 65 2HG2 THR 65 13.594 -7.873 13.842 501 HG23 THR 65 3HG2 THR 65 12.184 -8.433 12.945 502 H GLU 66 H GLU 66 11.702 -7.654 11.427 503 HA GLU 66 HA GLU 66 10.282 -5.975 9.456 504 HB2 GLU 66 2HB GLU 66 11.607 -7.553 8.385 505 HB3 GLU 66 1HB GLU 66 11.167 -8.847 9.487 506 HG2 GLU 66 2HG GLU 66 8.992 -7.564 7.908 507 HG3 GLU 66 1HG GLU 66 10.115 -8.601 7.034 508 H ILE 67 H ILE 67 8.114 -6.152 9.035 509 HA ILE 67 HA ILE 67 6.477 -8.080 10.565 510 HB ILE 67 HB ILE 67 6.800 -5.987 11.984 511 HG12 ILE 67 2HG1 ILE 67 3.938 -6.416 11.127 512 HG13 ILE 67 1HG1 ILE 67 4.823 -7.621 12.066 513 HG21 ILE 67 1HG2 ILE 67 6.449 -4.631 9.681 514 HG22 ILE 67 2HG2 ILE 67 6.080 -3.933 11.257 515 HG23 ILE 67 3HG2 ILE 67 4.788 -4.620 10.273 516 HD11 ILE 67 1HD1 ILE 67 3.652 -6.259 13.655 517 HD12 ILE 67 2HD1 ILE 67 4.170 -4.775 12.858 518 HD13 ILE 67 3HD1 ILE 67 5.343 -5.764 13.726 519 H VAL 68 H VAL 68 4.227 -8.128 9.746 520 HA VAL 68 HA VAL 68 4.145 -7.465 6.870 521 HB VAL 68 HB VAL 68 3.291 -9.659 7.643 522 HG11 VAL 68 1HG1 VAL 68 1.820 -9.889 9.362 523 HG12 VAL 68 2HG1 VAL 68 0.855 -8.508 8.842 524 HG13 VAL 68 3HG1 VAL 68 2.321 -8.253 9.789 525 HG21 VAL 68 1HG2 VAL 68 0.956 -7.953 6.751 526 HG22 VAL 68 2HG2 VAL 68 1.276 -9.642 6.360 527 HG23 VAL 68 3HG2 VAL 68 2.283 -8.371 5.667 528 H TRP 69 H TRP 69 3.223 -5.596 6.148 529 HA TRP 69 HA TRP 69 1.521 -4.079 8.094 530 HB2 TRP 69 2HB TRP 69 2.172 -2.294 6.095 531 HB3 TRP 69 1HB TRP 69 3.007 -2.445 7.640 532 HD1 TRP 69 HD TRP 69 5.327 -3.695 7.678 533 HE1 TRP 69 1HE TRP 69 6.970 -4.351 5.805 534 HE3 TRP 69 3HE TRP 69 2.311 -3.083 3.609 535 HZ2 TRP 69 2HZ TRP 69 6.998 -4.587 2.950 536 HZ3 TRP 69 3HZ TRP 69 3.171 -3.529 1.329 537 HH2 TRP 69 HH TRP 69 5.511 -4.277 1.004 538 H GLY 70 H GLY 70 1.064 -6.071 5.525 539 HA2 GLY 70 2HA GLY 70 -1.541 -4.837 4.963 540 HA3 GLY 70 1HA GLY 70 -0.440 -4.869 3.588 541 H ARG 71 H ARG 71 -2.424 -6.210 2.883 542 HA ARG 71 HA ARG 71 -1.663 -9.026 3.019 543 HB2 ARG 71 2HB ARG 71 -3.473 -8.266 4.895 544 HB3 ARG 71 1HB ARG 71 -4.551 -8.611 3.547 545 HG2 ARG 71 2HG ARG 71 -3.540 -10.844 3.293 546 HG3 ARG 71 1HG ARG 71 -2.472 -10.508 4.654 547 HD2 ARG 71 2HD ARG 71 -4.537 -10.108 6.058 548 HD3 ARG 71 1HD ARG 71 -5.491 -10.719 4.710 549 HE ARG 71 HE ARG 71 -3.665 -12.318 6.408 550 HH11 ARG 71 1HH1 ARG 71 -3.953 -14.543 6.207 551 HH12 ARG 71 2HH1 ARG 71 -4.962 -15.164 4.943 552 HH21 ARG 71 1HH2 ARG 71 -5.758 -12.044 3.669 553 HH22 ARG 71 2HH2 ARG 71 -5.981 -13.753 3.514 554 H ILE 72 H ILE 72 -3.575 -10.188 1.624 555 HA ILE 72 HA ILE 72 -4.319 -8.400 -0.621 556 HB ILE 72 HB ILE 72 -2.787 -10.999 -0.809 557 HG12 ILE 72 2HG1 ILE 72 -1.555 -9.492 -2.536 558 HG13 ILE 72 1HG1 ILE 72 -2.394 -8.157 -1.752 559 HG21 ILE 72 1HG2 ILE 72 -3.201 -10.808 -3.294 560 HG22 ILE 72 2HG2 ILE 72 -4.456 -9.627 -2.924 561 HG23 ILE 72 3HG2 ILE 72 -4.608 -11.288 -2.347 562 HD11 ILE 72 1HD1 ILE 72 -0.066 -9.627 -0.850 563 HD12 ILE 72 2HD1 ILE 72 -1.353 -9.716 0.347 564 HD13 ILE 72 3HD1 ILE 72 -0.770 -8.150 -0.194 565 H LEU 73 H LEU 73 -6.065 -9.543 -2.023 566 HA LEU 73 HA LEU 73 -7.739 -11.284 -0.256 567 HB2 LEU 73 2HB LEU 73 -8.431 -9.114 -2.212 568 HB3 LEU 73 1HB LEU 73 -9.601 -10.384 -1.858 569 HG LEU 73 HG LEU 73 -8.226 -8.999 0.419 570 HD11 LEU 73 1HD1 LEU 73 -9.875 -7.232 0.436 571 HD12 LEU 73 2HD1 LEU 73 -10.701 -7.927 -0.959 572 HD13 LEU 73 3HD1 LEU 73 -9.093 -7.231 -1.142 573 HD21 LEU 73 1HD2 LEU 73 -9.633 -10.888 0.966 574 HD22 LEU 73 2HD2 LEU 73 -10.942 -10.272 -0.042 575 HD23 LEU 73 3HD2 LEU 73 -10.503 -9.430 1.441 576 H GLU 74 H GLU 74 -7.006 -10.583 -3.654 577 HA GLU 74 HA GLU 74 -6.589 -13.326 -4.371 578 HB2 GLU 74 2HB GLU 74 -9.084 -13.356 -4.059 579 HB3 GLU 74 1HB GLU 74 -9.210 -12.128 -5.322 580 HG2 GLU 74 2HG GLU 74 -8.050 -13.670 -6.896 581 HG3 GLU 74 1HG GLU 74 -8.039 -14.907 -5.639 582 H TRP 75 H TRP 75 -5.891 -13.455 -6.604 583 HA TRP 75 HA TRP 75 -5.366 -10.766 -7.781 584 HB2 TRP 75 2HB TRP 75 -3.444 -11.765 -8.864 585 HB3 TRP 75 1HB TRP 75 -3.401 -12.196 -7.153 586 HD1 TRP 75 HD TRP 75 -4.041 -14.698 -6.487 587 HE1 TRP 75 1HE TRP 75 -4.020 -16.887 -7.851 588 HE3 TRP 75 3HE TRP 75 -3.812 -12.787 -11.217 589 HZ2 TRP 75 2HZ TRP 75 -3.919 -17.716 -10.587 590 HZ3 TRP 75 3HZ TRP 75 -3.754 -14.297 -13.182 591 HH2 TRP 75 HH TRP 75 -3.807 -16.757 -12.873 592 H ASP 76 H ASP 76 -6.421 -10.254 -9.626 593 HA ASP 76 HA ASP 76 -7.638 -12.475 -11.200 594 HB2 ASP 76 2HB ASP 76 -8.825 -10.179 -10.192 595 HB3 ASP 76 1HB ASP 76 -8.521 -9.770 -11.881 596 HA PRO 77 HA PRO 77 -4.453 -12.073 -14.310 597 HB2 PRO 77 2HB PRO 77 -6.904 -11.919 -16.053 598 HB3 PRO 77 1HB PRO 77 -5.391 -12.809 -16.328 599 HG2 PRO 77 2HG PRO 77 -7.588 -14.004 -15.363 600 HG3 PRO 77 1HG PRO 77 -5.954 -14.490 -14.885 601 HD2 PRO 77 2HD PRO 77 -8.023 -13.181 -13.275 602 HD3 PRO 77 1HD PRO 77 -6.514 -13.950 -12.737 603 HA PRO 78 HA PRO 78 -3.456 -7.867 -15.161 604 HB2 PRO 78 2HB PRO 78 -3.929 -8.647 -18.027 605 HB3 PRO 78 1HB PRO 78 -2.604 -7.695 -17.330 606 HG2 PRO 78 2HG PRO 78 -2.410 -10.344 -17.919 607 HG3 PRO 78 1HG PRO 78 -1.454 -9.535 -16.668 608 HD2 PRO 78 2HD PRO 78 -3.496 -11.561 -16.318 609 HD3 PRO 78 1HD PRO 78 -2.487 -10.796 -15.072 610 H HIS 79 H HIS 79 -5.659 -7.365 -14.190 611 HA HIS 79 HA HIS 79 -7.112 -5.581 -15.850 612 HB2 HIS 79 2HB HIS 79 -7.848 -8.023 -16.613 613 HB3 HIS 79 1HB HIS 79 -8.885 -7.891 -15.189 614 HD1 HIS 79 1HD HIS 79 -9.442 -4.840 -15.320 615 HD2 HIS 79 2HD HIS 79 -9.750 -7.408 -18.592 616 HE1 HIS 79 1HE HIS 79 -10.972 -3.698 -16.978 617 HE2 HIS 79 2HE HIS 79 -11.180 -5.257 -18.974 618 H ARG 80 H ARG 80 -7.387 -7.783 -12.999 619 HA ARG 80 HA ARG 80 -8.165 -5.395 -11.448 620 HB2 ARG 80 2HB ARG 80 -10.320 -6.127 -12.283 621 HB3 ARG 80 1HB ARG 80 -10.004 -7.778 -11.740 622 HG2 ARG 80 2HG ARG 80 -10.065 -7.131 -9.441 623 HG3 ARG 80 1HG ARG 80 -10.026 -5.415 -9.855 624 HD2 ARG 80 2HD ARG 80 -12.303 -5.935 -9.313 625 HD3 ARG 80 1HD ARG 80 -12.228 -5.769 -11.064 626 HE ARG 80 HE ARG 80 -11.802 -8.493 -10.538 627 HH11 ARG 80 1HH1 ARG 80 -13.528 -9.957 -10.604 628 HH12 ARG 80 2HH1 ARG 80 -15.144 -9.381 -10.375 629 HH21 ARG 80 1HH2 ARG 80 -14.190 -6.071 -9.971 630 HH22 ARG 80 2HH2 ARG 80 -15.519 -7.180 -10.018 631 H LEU 81 H LEU 81 -7.568 -5.504 -9.331 632 HA LEU 81 HA LEU 81 -6.906 -8.160 -8.180 633 HB2 LEU 81 2HB LEU 81 -5.085 -5.751 -8.215 634 HB3 LEU 81 1HB LEU 81 -4.832 -7.154 -7.179 635 HG LEU 81 HG LEU 81 -5.263 -8.202 -9.748 636 HD11 LEU 81 1HD1 LEU 81 -3.546 -7.014 -11.079 637 HD12 LEU 81 2HD1 LEU 81 -3.389 -5.826 -9.783 638 HD13 LEU 81 3HD1 LEU 81 -4.906 -5.966 -10.672 639 HD21 LEU 81 1HD2 LEU 81 -2.753 -8.667 -9.549 640 HD22 LEU 81 2HD2 LEU 81 -3.746 -9.213 -8.198 641 HD23 LEU 81 3HD2 LEU 81 -2.800 -7.734 -8.054 642 H ALA 82 H ALA 82 -7.825 -8.344 -6.216 643 HA ALA 82 HA ALA 82 -8.646 -5.847 -4.784 644 HB1 ALA 82 1HB ALA 82 -9.649 -8.708 -4.606 645 HB2 ALA 82 2HB ALA 82 -10.540 -7.305 -5.195 646 HB3 ALA 82 3HB ALA 82 -10.136 -7.438 -3.483 647 H MET 83 H MET 83 -8.021 -5.694 -2.472 648 HA MET 83 HA MET 83 -6.235 -7.857 -1.566 649 HB2 MET 83 2HB MET 83 -4.608 -5.873 -0.879 650 HB3 MET 83 1HB MET 83 -4.500 -6.652 -2.457 651 HG2 MET 83 2HG MET 83 -6.293 -4.267 -2.019 652 HG3 MET 83 1HG MET 83 -4.583 -4.064 -2.398 653 HE1 MET 83 1HE MET 83 -3.429 -5.280 -3.956 654 HE2 MET 83 2HE MET 83 -3.853 -5.063 -5.652 655 HE3 MET 83 3HE MET 83 -4.138 -6.617 -4.873 656 H THR 84 H THR 84 -6.035 -8.068 0.652 657 HA THR 84 HA THR 84 -7.717 -6.189 2.272 658 HB THR 84 HB THR 84 -6.791 -9.041 2.713 659 HG1 THR 84 1HG THR 84 -9.213 -7.663 2.429 660 HG21 THR 84 1HG2 THR 84 -7.818 -7.034 4.726 661 HG22 THR 84 2HG2 THR 84 -6.348 -8.004 4.816 662 HG23 THR 84 3HG2 THR 84 -7.925 -8.776 4.984 663 H TRP 85 H TRP 85 -6.664 -5.454 4.357 664 HA TRP 85 HA TRP 85 -3.680 -5.527 4.101 665 HB2 TRP 85 2HB TRP 85 -3.523 -3.245 4.616 666 HB3 TRP 85 1HB TRP 85 -4.902 -3.330 3.521 667 HD1 TRP 85 HD TRP 85 -7.187 -4.218 5.420 668 HE1 TRP 85 1HE TRP 85 -8.024 -2.669 7.299 669 HE3 TRP 85 3HE TRP 85 -3.123 -1.168 5.919 670 HZ2 TRP 85 2HZ TRP 85 -7.096 -0.425 8.811 671 HZ3 TRP 85 3HZ TRP 85 -3.129 0.669 7.581 672 HH2 TRP 85 HH TRP 85 -5.107 1.046 9.026 673 H ARG 86 H ARG 86 -2.615 -6.316 5.834 674 HA ARG 86 HA ARG 86 -4.076 -6.350 8.455 675 HB2 ARG 86 2HB ARG 86 -3.624 -8.606 7.504 676 HB3 ARG 86 1HB ARG 86 -1.900 -8.233 7.496 677 HG2 ARG 86 2HG ARG 86 -2.012 -7.847 9.960 678 HG3 ARG 86 1HG ARG 86 -3.703 -8.345 9.931 679 HD2 ARG 86 2HD ARG 86 -1.372 -10.061 9.026 680 HD3 ARG 86 1HD ARG 86 -2.197 -10.212 10.577 681 HE ARG 86 HE ARG 86 -4.035 -10.388 8.332 682 HH11 ARG 86 1HH1 ARG 86 -4.956 -12.423 7.980 683 HH12 ARG 86 2HH1 ARG 86 -4.251 -13.819 8.725 684 HH21 ARG 86 1HH2 ARG 86 -1.732 -12.033 10.300 685 HH22 ARG 86 2HH2 ARG 86 -2.425 -13.597 10.039 686 H ILE 87 H ILE 87 -3.256 -4.725 9.699 687 HA ILE 87 HA ILE 87 -0.306 -4.578 9.983 688 HB ILE 87 HB ILE 87 -1.176 -2.828 8.321 689 HG12 ILE 87 2HG1 ILE 87 0.014 -1.457 10.714 690 HG13 ILE 87 1HG1 ILE 87 0.941 -2.724 9.912 691 HG21 ILE 87 1HG2 ILE 87 -2.384 -0.948 9.189 692 HG22 ILE 87 2HG2 ILE 87 -2.204 -1.515 10.848 693 HG23 ILE 87 3HG2 ILE 87 -3.248 -2.388 9.726 694 HD11 ILE 87 1HD1 ILE 87 1.365 -0.386 9.033 695 HD12 ILE 87 2HD1 ILE 87 -0.293 -0.396 8.426 696 HD13 ILE 87 3HD1 ILE 87 0.877 -1.562 7.814 697 H ASP 88 H ASP 88 0.339 -3.568 12.035 698 HA ASP 88 HA ASP 88 -1.769 -3.909 14.095 699 HB2 ASP 88 2HB ASP 88 1.211 -3.533 14.411 700 HB3 ASP 88 1HB ASP 88 0.078 -3.903 15.706 701 H GLY 89 H GLY 89 -1.905 -2.282 15.833 702 HA2 GLY 89 2HA GLY 89 -2.213 0.368 14.814 703 HA3 GLY 89 1HA GLY 89 -2.245 -0.064 16.524 704 H HIS 90 H HIS 90 0.336 -1.075 16.843 705 HA HIS 90 HA HIS 90 1.974 1.386 16.387 706 HB2 HIS 90 2HB HIS 90 1.475 -0.238 18.718 707 HB3 HIS 90 1HB HIS 90 3.195 -0.277 18.339 708 HD1 HIS 90 1HD HIS 90 1.033 1.601 20.345 709 HD2 HIS 90 2HD HIS 90 3.935 2.685 17.551 710 HE1 HIS 90 1HE HIS 90 1.674 3.997 20.870 711 HE2 HIS 90 2HE HIS 90 3.439 4.668 19.175 712 H TRP 91 H TRP 91 1.648 -0.810 14.454 713 HA TRP 91 HA TRP 91 2.981 -2.148 13.069 714 HB2 TRP 91 2HB TRP 91 5.175 -0.493 14.360 715 HB3 TRP 91 1HB TRP 91 5.407 -1.556 12.979 716 HD1 TRP 91 HD TRP 91 3.683 -0.979 10.826 717 HE1 TRP 91 1HE TRP 91 3.116 1.347 9.875 718 HE3 TRP 91 3HE TRP 91 4.907 1.943 14.818 719 HZ2 TRP 91 2HZ TRP 91 3.188 4.091 10.703 720 HZ3 TRP 91 3HZ TRP 91 4.659 4.401 14.719 721 HH2 TRP 91 HH TRP 91 3.798 5.481 12.663 722 H GLN 92 H GLN 92 2.368 -2.928 15.907 723 HA GLN 92 HA GLN 92 3.679 -5.421 15.997 724 HB2 GLN 92 2HB GLN 92 5.032 -4.831 18.193 725 HB3 GLN 92 1HB GLN 92 5.767 -4.617 16.604 726 HG2 GLN 92 2HG GLN 92 5.538 -2.318 16.652 727 HG3 GLN 92 1HG GLN 92 4.191 -2.362 17.796 728 HE21 GLN 92 1HE2 GLN 92 6.181 -0.616 18.486 729 HE22 GLN 92 2HE2 GLN 92 7.149 -1.241 19.735 730 H SER 93 H SER 93 1.342 -3.429 16.838 731 HA SER 93 HA SER 93 0.793 -3.806 19.581 732 HB2 SER 93 2HB SER 93 -0.447 -2.376 17.814 733 HB3 SER 93 1HB SER 93 -1.368 -3.842 17.480 734 HG SER 93 HG SER 93 -1.719 -2.104 19.438 735 H VAL 94 H VAL 94 -0.516 -5.760 16.858 736 HA VAL 94 HA VAL 94 -0.404 -8.132 18.628 737 HB VAL 94 HB VAL 94 -2.804 -8.681 17.876 738 HG11 VAL 94 1HG1 VAL 94 -2.122 -7.937 20.177 739 HG12 VAL 94 2HG1 VAL 94 -3.757 -7.449 19.735 740 HG13 VAL 94 3HG1 VAL 94 -2.442 -6.275 19.684 741 HG21 VAL 94 1HG2 VAL 94 -2.725 -5.700 17.308 742 HG22 VAL 94 2HG2 VAL 94 -4.186 -6.688 17.344 743 HG23 VAL 94 3HG2 VAL 94 -2.957 -6.975 16.111 744 HA PRO 95 HA PRO 95 0.775 -10.091 14.836 745 HB2 PRO 95 2HB PRO 95 -0.173 -12.644 15.269 746 HB3 PRO 95 1HB PRO 95 1.319 -12.002 15.981 747 HG2 PRO 95 2HG PRO 95 -1.374 -12.321 17.194 748 HG3 PRO 95 1HG PRO 95 0.228 -12.539 17.918 749 HD2 PRO 95 2HD PRO 95 -1.297 -10.316 18.354 750 HD3 PRO 95 1HD PRO 95 0.478 -10.285 18.377 751 H ASP 96 H ASP 96 -2.563 -10.684 15.901 752 HA ASP 96 HA ASP 96 -3.380 -10.878 13.033 753 HB2 ASP 96 2HB ASP 96 -4.765 -11.820 15.549 754 HB3 ASP 96 1HB ASP 96 -5.475 -11.903 13.936 755 H ASP 97 H ASP 97 -5.090 -9.527 12.299 756 HA ASP 97 HA ASP 97 -5.619 -7.196 14.074 757 HB2 ASP 97 2HB ASP 97 -5.754 -7.543 11.072 758 HB3 ASP 97 1HB ASP 97 -6.307 -6.098 11.916 759 H ASP 98 H ASP 98 -7.574 -7.204 15.040 760 HA ASP 98 HA ASP 98 -9.772 -8.822 13.924 761 HB2 ASP 98 2HB ASP 98 -9.483 -7.214 16.468 762 HB3 ASP 98 1HB ASP 98 -10.935 -8.112 16.035 763 H ARG 99 H ARG 99 -8.565 -5.708 13.697 764 HA ARG 99 HA ARG 99 -11.218 -4.585 12.952 765 HB2 ARG 99 2HB ARG 99 -9.924 -2.363 13.292 766 HB3 ARG 99 1HB ARG 99 -10.411 -3.261 14.731 767 HG2 ARG 99 2HG ARG 99 -8.160 -4.308 14.814 768 HG3 ARG 99 1HG ARG 99 -7.681 -3.359 13.406 769 HD2 ARG 99 2HD ARG 99 -8.179 -1.280 14.688 770 HD3 ARG 99 1HD ARG 99 -8.536 -2.269 16.103 771 HE ARG 99 HE ARG 99 -6.217 -2.500 16.428 772 HH11 ARG 99 1HH1 ARG 99 -4.053 -2.282 15.817 773 HH12 ARG 99 2HH1 ARG 99 -3.667 -1.824 14.191 774 HH21 ARG 99 1HH2 ARG 99 -6.978 -1.624 13.181 775 HH22 ARG 99 2HH2 ARG 99 -5.324 -1.452 12.699 776 H ALA 100 H ALA 100 -9.576 -6.187 11.164 777 HA ALA 100 HA ALA 100 -8.222 -4.267 9.397 778 HB1 ALA 100 1HB ALA 100 -7.860 -6.951 9.905 779 HB2 ALA 100 2HB ALA 100 -7.186 -6.086 8.524 780 HB3 ALA 100 3HB ALA 100 -8.700 -6.975 8.355 781 H SER 101 H SER 101 -8.943 -3.673 7.347 782 HA SER 101 HA SER 101 -11.809 -4.298 6.754 783 HB2 SER 101 2HB SER 101 -10.184 -1.839 6.041 784 HB3 SER 101 1HB SER 101 -11.863 -2.118 5.586 785 HG SER 101 HG SER 101 -11.020 -1.006 7.767 786 H GLU 102 H GLU 102 -12.270 -4.046 4.297 787 HA GLU 102 HA GLU 102 -10.084 -5.453 2.830 788 HB2 GLU 102 2HB GLU 102 -13.057 -5.346 2.247 789 HB3 GLU 102 1HB GLU 102 -11.865 -6.276 1.339 790 HG2 GLU 102 2HG GLU 102 -11.303 -7.535 3.408 791 HG3 GLU 102 1HG GLU 102 -12.558 -6.643 4.269 792 H ILE 103 H ILE 103 -9.451 -4.703 0.773 793 HA ILE 103 HA ILE 103 -10.509 -2.005 0.022 794 HB ILE 103 HB ILE 103 -7.688 -3.055 -0.353 795 HG12 ILE 103 2HG1 ILE 103 -8.709 -0.974 1.604 796 HG13 ILE 103 1HG1 ILE 103 -8.346 -2.644 2.043 797 HG21 ILE 103 1HG2 ILE 103 -7.386 -1.264 -1.680 798 HG22 ILE 103 2HG2 ILE 103 -8.013 -0.192 -0.429 799 HG23 ILE 103 3HG2 ILE 103 -9.116 -0.941 -1.582 800 HD11 ILE 103 1HD1 ILE 103 -6.401 -0.607 0.919 801 HD12 ILE 103 2HD1 ILE 103 -6.017 -2.308 1.184 802 HD13 ILE 103 3HD1 ILE 103 -6.406 -1.268 2.554 803 H GLU 104 H GLU 104 -10.989 -1.711 -2.151 804 HA GLU 104 HA GLU 104 -10.656 -4.128 -3.892 805 HB2 GLU 104 2HB GLU 104 -13.013 -3.406 -3.406 806 HB3 GLU 104 1HB GLU 104 -12.656 -1.866 -4.188 807 HG2 GLU 104 2HG GLU 104 -12.032 -3.108 -6.262 808 HG3 GLU 104 1HG GLU 104 -12.523 -4.608 -5.475 809 H VAL 105 H VAL 105 -9.212 -3.882 -5.537 810 HA VAL 105 HA VAL 105 -8.739 -1.130 -6.566 811 HB VAL 105 HB VAL 105 -6.608 -3.222 -6.104 812 HG11 VAL 105 1HG1 VAL 105 -6.374 -0.288 -6.832 813 HG12 VAL 105 2HG1 VAL 105 -6.263 -1.602 -8.001 814 HG13 VAL 105 3HG1 VAL 105 -5.059 -1.457 -6.722 815 HG21 VAL 105 1HG2 VAL 105 -7.058 -2.502 -3.937 816 HG22 VAL 105 2HG2 VAL 105 -7.606 -0.913 -4.472 817 HG23 VAL 105 3HG2 VAL 105 -5.884 -1.288 -4.446 818 H ASP 106 H ASP 106 -8.645 -0.978 -8.798 819 HA ASP 106 HA ASP 106 -8.771 -3.569 -10.296 820 HB2 ASP 106 2HB ASP 106 -10.045 -0.899 -10.957 821 HB3 ASP 106 1HB ASP 106 -10.077 -2.315 -12.012 822 H PHE 107 H PHE 107 -7.194 -3.872 -11.835 823 HA PHE 107 HA PHE 107 -5.469 -1.523 -12.504 824 HB2 PHE 107 2HB PHE 107 -4.860 -4.490 -12.418 825 HB3 PHE 107 1HB PHE 107 -3.750 -3.275 -13.039 826 HD1 PHE 107 1HD PHE 107 -5.862 -3.920 -10.002 827 HD2 PHE 107 2HD PHE 107 -2.182 -2.371 -11.583 828 HE1 PHE 107 1HE PHE 107 -5.041 -3.519 -7.702 829 HE2 PHE 107 2HE PHE 107 -1.368 -1.951 -9.278 830 HZ PHE 107 HZ PHE 107 -2.797 -2.527 -7.335 831 H VAL 108 H VAL 108 -5.553 -0.873 -14.613 832 HA VAL 108 HA VAL 108 -6.535 -2.837 -16.643 833 HB VAL 108 HB VAL 108 -6.924 0.064 -17.127 834 HG11 VAL 108 1HG1 VAL 108 -8.717 -2.357 -17.471 835 HG12 VAL 108 2HG1 VAL 108 -7.627 -1.733 -18.709 836 HG13 VAL 108 3HG1 VAL 108 -8.983 -0.752 -18.153 837 HG21 VAL 108 1HG2 VAL 108 -7.612 0.006 -14.822 838 HG22 VAL 108 2HG2 VAL 108 -8.445 -1.531 -15.048 839 HG23 VAL 108 3HG2 VAL 108 -9.084 -0.065 -15.790 840 HA PRO 109 HA PRO 109 -2.526 -1.679 -18.401 841 HB2 PRO 109 2HB PRO 109 -2.533 -3.352 -20.526 842 HB3 PRO 109 1HB PRO 109 -2.284 -3.939 -18.869 843 HG2 PRO 109 2HG PRO 109 -4.733 -4.015 -20.551 844 HG3 PRO 109 1HG PRO 109 -4.079 -5.241 -19.455 845 HD2 PRO 109 2HD PRO 109 -6.151 -3.543 -18.787 846 HD3 PRO 109 1HD PRO 109 -5.064 -4.297 -17.599 847 H ASN 110 H ASN 110 -2.308 0.197 -19.495 848 HA ASN 110 HA ASN 110 -3.960 0.614 -21.942 849 HB2 ASN 110 2HB ASN 110 -4.455 2.130 -19.965 850 HB3 ASN 110 1HB ASN 110 -2.829 2.782 -20.174 851 HD21 ASN 110 1HD2 ASN 110 -4.123 4.863 -20.654 852 HD22 ASN 110 2HD2 ASN 110 -4.656 5.101 -22.249 853 H GLY 111 H GLY 111 -2.668 0.437 -23.715 854 HA2 GLY 111 2HA GLY 111 -0.819 0.740 -25.131 855 HA3 GLY 111 1HA GLY 111 -0.345 2.069 -24.074 856 H SER 112 H SER 112 -0.768 -1.138 -22.752 857 HA SER 112 HA SER 112 0.809 -2.445 -21.580 858 HB2 SER 112 2HB SER 112 2.091 -3.548 -23.095 859 HB3 SER 112 1HB SER 112 1.350 -2.491 -24.294 860 HG SER 112 HG SER 112 3.088 -0.997 -23.807 861 H GLY 113 H GLY 113 1.033 0.705 -21.659 862 HA2 GLY 113 2HA GLY 113 3.481 0.763 -19.992 863 HA3 GLY 113 1HA GLY 113 3.426 1.857 -21.381 864 H GLY 114 H GLY 114 0.325 1.360 -20.254 865 HA2 GLY 114 2HA GLY 114 0.446 3.701 -18.419 866 HA3 GLY 114 1HA GLY 114 -0.767 3.622 -19.691 867 H THR 115 H THR 115 -0.500 3.224 -16.478 868 HA THR 115 HA THR 115 -2.400 0.917 -16.452 869 HB THR 115 HB THR 115 -0.679 1.897 -14.159 870 HG1 THR 115 1HG THR 115 0.789 0.803 -15.166 871 HG21 THR 115 1HG2 THR 115 -1.933 0.557 -12.876 872 HG22 THR 115 2HG2 THR 115 -1.630 -0.802 -13.955 873 HG23 THR 115 3HG2 THR 115 -2.996 0.272 -14.253 874 H ARG 116 H ARG 116 -4.420 1.316 -15.775 875 HA ARG 116 HA ARG 116 -4.975 3.950 -14.476 876 HB2 ARG 116 2HB ARG 116 -6.218 3.469 -16.586 877 HB3 ARG 116 1HB ARG 116 -6.900 2.028 -15.824 878 HG2 ARG 116 2HG ARG 116 -8.145 3.280 -14.275 879 HG3 ARG 116 1HG ARG 116 -7.146 4.717 -14.493 880 HD2 ARG 116 2HD ARG 116 -9.236 5.102 -15.624 881 HD3 ARG 116 1HD ARG 116 -7.994 4.858 -16.849 882 HE ARG 116 HE ARG 116 -9.049 2.323 -16.451 883 HH11 ARG 116 1HH1 ARG 116 -10.791 1.531 -17.657 884 HH12 ARG 116 2HH1 ARG 116 -11.901 2.645 -18.383 885 HH21 ARG 116 1HH2 ARG 116 -10.263 5.461 -17.200 886 HH22 ARG 116 2HH2 ARG 116 -11.602 4.868 -18.125 887 H VAL 117 H VAL 117 -5.214 3.752 -12.281 888 HA VAL 117 HA VAL 117 -6.195 1.122 -11.260 889 HB VAL 117 HB VAL 117 -4.255 3.021 -9.942 890 HG11 VAL 117 1HG1 VAL 117 -3.970 1.148 -8.341 891 HG12 VAL 117 2HG1 VAL 117 -5.230 0.248 -9.184 892 HG13 VAL 117 3HG1 VAL 117 -5.631 1.746 -8.343 893 HG21 VAL 117 1HG2 VAL 117 -3.007 0.588 -10.398 894 HG22 VAL 117 2HG2 VAL 117 -2.793 2.043 -11.373 895 HG23 VAL 117 3HG2 VAL 117 -3.965 0.820 -11.862 896 H GLU 118 H GLU 118 -7.849 1.100 -9.883 897 HA GLU 118 HA GLU 118 -8.848 3.738 -8.861 898 HB2 GLU 118 2HB GLU 118 -10.390 1.180 -9.453 899 HB3 GLU 118 1HB GLU 118 -11.089 2.651 -8.780 900 HG2 GLU 118 2HG GLU 118 -10.459 3.890 -10.810 901 HG3 GLU 118 1HG GLU 118 -9.743 2.428 -11.489 902 H LEU 119 H LEU 119 -7.898 3.730 -6.792 903 HA LEU 119 HA LEU 119 -8.114 1.215 -5.220 904 HB2 LEU 119 2HB LEU 119 -5.872 2.328 -5.482 905 HB3 LEU 119 1HB LEU 119 -6.509 3.694 -4.571 906 HG LEU 119 HG LEU 119 -6.907 1.032 -3.321 907 HD11 LEU 119 1HD1 LEU 119 -4.675 0.650 -4.122 908 HD12 LEU 119 2HD1 LEU 119 -4.531 1.121 -2.428 909 HD13 LEU 119 3HD1 LEU 119 -4.180 2.289 -3.701 910 HD21 LEU 119 1HD2 LEU 119 -6.751 2.261 -1.352 911 HD22 LEU 119 2HD2 LEU 119 -7.325 3.511 -2.454 912 HD23 LEU 119 3HD2 LEU 119 -5.614 3.416 -2.042 913 H ALA 120 H ALA 120 -9.588 1.079 -3.628 914 HA ALA 120 HA ALA 120 -10.589 3.611 -2.402 915 HB1 ALA 120 1HB ALA 120 -12.575 1.454 -2.569 916 HB2 ALA 120 2HB ALA 120 -12.082 2.071 -4.146 917 HB3 ALA 120 3HB ALA 120 -12.747 3.170 -2.937 918 H HIS 121 H HIS 121 -10.007 3.491 -0.284 919 HA HIS 121 HA HIS 121 -9.986 0.811 1.028 920 HB2 HIS 121 2HB HIS 121 -8.309 1.564 2.415 921 HB3 HIS 121 1HB HIS 121 -8.004 2.629 1.046 922 HD1 HIS 121 1HD HIS 121 -9.691 2.601 4.437 923 HD2 HIS 121 2HD HIS 121 -8.432 5.347 1.565 924 HE1 HIS 121 1HE HIS 121 -9.882 4.894 5.506 925 HE2 HIS 121 2HE HIS 121 -9.140 6.574 3.756 926 H VAL 122 H VAL 122 -11.579 0.367 2.502 927 HA VAL 122 HA VAL 122 -13.192 2.677 3.496 928 HB VAL 122 HB VAL 122 -15.223 1.313 3.107 929 HG11 VAL 122 1HG1 VAL 122 -14.049 1.173 0.437 930 HG12 VAL 122 2HG1 VAL 122 -13.670 2.688 1.258 931 HG13 VAL 122 3HG1 VAL 122 -15.351 2.201 1.037 932 HG21 VAL 122 1HG2 VAL 122 -13.782 -0.554 1.311 933 HG22 VAL 122 2HG2 VAL 122 -15.138 -0.868 2.390 934 HG23 VAL 122 3HG2 VAL 122 -13.494 -0.832 3.028 935 H LYS 123 H LYS 123 -14.565 2.150 5.359 936 HA LYS 123 HA LYS 123 -14.743 1.507 7.597 937 HB2 LYS 123 2HB LYS 123 -14.057 -1.151 6.315 938 HB3 LYS 123 1HB LYS 123 -14.577 -0.972 7.988 939 HG2 LYS 123 2HG LYS 123 -16.634 -1.344 7.019 940 HG3 LYS 123 1HG LYS 123 -16.560 0.408 6.834 941 HD2 LYS 123 2HD LYS 123 -15.255 -0.320 4.599 942 HD3 LYS 123 1HD LYS 123 -16.303 -1.722 4.782 943 HE2 LYS 123 2HE LYS 123 -17.193 1.175 4.688 944 HE3 LYS 123 1HE LYS 123 -17.433 -0.029 3.422 945 HZ1 LYS 123 1HZ LYS 123 -18.382 -1.006 5.901 946 HZ2 LYS 123 2HZ LYS 123 -19.231 -0.771 4.448 947 HZ3 LYS 123 3HZ LYS 123 -19.092 0.498 5.569 948 H LEU 124 H LEU 124 -12.072 2.409 6.661 949 HA LEU 124 HA LEU 124 -10.126 0.796 8.102 950 HB2 LEU 124 2HB LEU 124 -9.929 2.692 6.162 951 HB3 LEU 124 1HB LEU 124 -9.545 3.641 7.594 952 HG LEU 124 HG LEU 124 -7.996 1.601 8.189 953 HD11 LEU 124 1HD1 LEU 124 -8.709 0.135 6.384 954 HD12 LEU 124 2HD1 LEU 124 -7.037 0.614 6.086 955 HD13 LEU 124 3HD1 LEU 124 -8.347 1.374 5.183 956 HD21 LEU 124 1HD2 LEU 124 -7.232 3.894 7.711 957 HD22 LEU 124 2HD2 LEU 124 -7.328 3.569 5.983 958 HD23 LEU 124 3HD2 LEU 124 -6.155 2.708 6.977 959 H HIS 125 H HIS 125 -11.972 3.744 8.667 960 HA HIS 125 HA HIS 125 -10.934 4.744 11.015 961 HB2 HIS 125 2HB HIS 125 -12.755 5.917 10.098 962 HB3 HIS 125 1HB HIS 125 -13.779 4.484 10.086 963 HD1 HIS 125 1HD HIS 125 -11.775 6.149 12.888 964 HD2 HIS 125 2HD HIS 125 -15.657 4.855 12.072 965 HE1 HIS 125 1HE HIS 125 -13.125 6.549 14.997 966 HE2 HIS 125 2HE HIS 125 -15.489 5.770 14.508 967 H ARG 126 H ARG 126 -12.180 1.596 10.657 968 HA ARG 126 HA ARG 126 -13.362 1.070 13.148 969 HB2 ARG 126 2HB ARG 126 -11.472 -0.624 11.518 970 HB3 ARG 126 1HB ARG 126 -12.295 -1.222 12.955 971 HG2 ARG 126 2HG ARG 126 -14.470 -0.707 11.933 972 HG3 ARG 126 1HG ARG 126 -13.657 -0.102 10.491 973 HD2 ARG 126 2HD ARG 126 -12.557 -2.350 10.258 974 HD3 ARG 126 1HD ARG 126 -13.579 -2.928 11.573 975 HE ARG 126 HE ARG 126 -15.354 -1.821 9.727 976 HH11 ARG 126 1HH1 ARG 126 -16.325 -3.079 8.116 977 HH12 ARG 126 2HH1 ARG 126 -15.559 -4.546 7.604 978 HH21 ARG 126 1HH2 ARG 126 -12.876 -4.217 9.776 979 HH22 ARG 126 2HH2 ARG 126 -13.608 -5.190 8.544 980 H HIS 127 H HIS 127 -9.953 1.547 12.349 981 HA HIS 127 HA HIS 127 -9.064 0.789 15.020 982 HB2 HIS 127 2HB HIS 127 -6.934 2.091 14.217 983 HB3 HIS 127 1HB HIS 127 -7.328 0.533 13.496 984 HD1 HIS 127 1HD HIS 127 -9.110 3.764 12.638 985 HD2 HIS 127 2HD HIS 127 -6.367 1.126 10.929 986 HE1 HIS 127 1HE HIS 127 -8.834 4.473 10.220 987 HE2 HIS 127 2HE HIS 127 -7.158 2.887 9.176 988 H GLY 128 H GLY 128 -10.304 3.676 13.569 989 HA2 GLY 128 2HA GLY 128 -11.085 5.565 14.790 990 HA3 GLY 128 1HA GLY 128 -10.195 4.989 16.199 991 H ASP 129 H ASP 129 -9.620 7.360 16.263 992 HA ASP 129 HA ASP 129 -7.914 8.537 14.282 993 HB2 ASP 129 2HB ASP 129 -8.250 9.139 17.234 994 HB3 ASP 129 1HB ASP 129 -7.334 10.148 16.115 995 H GLY 130 H GLY 130 -5.628 8.830 14.332 996 HA2 GLY 130 2HA GLY 130 -3.416 8.420 15.236 997 HA3 GLY 130 1HA GLY 130 -4.101 7.137 16.243 998 H ALA 131 H ALA 131 -5.644 6.498 13.568 999 HA ALA 131 HA ALA 131 -4.043 4.261 12.810 1000 HB1 ALA 131 1HB ALA 131 -6.221 5.661 11.238 1001 HB2 ALA 131 2HB ALA 131 -6.490 4.407 12.445 1002 HB3 ALA 131 3HB ALA 131 -5.626 4.025 10.955 1003 H TRP 132 H TRP 132 -4.424 7.518 11.382 1004 HA TRP 132 HA TRP 132 -2.889 7.042 9.053 1005 HB2 TRP 132 2HB TRP 132 -4.160 9.191 9.631 1006 HB3 TRP 132 1HB TRP 132 -2.751 9.642 10.596 1007 HD1 TRP 132 HD TRP 132 -0.433 9.963 9.298 1008 HE1 TRP 132 1HE TRP 132 0.077 10.535 6.840 1009 HE3 TRP 132 3HE TRP 132 -4.998 8.966 7.180 1010 HZ2 TRP 132 2HZ TRP 132 -1.254 10.563 4.327 1011 HZ3 TRP 132 3HZ TRP 132 -5.330 9.282 4.747 1012 HH2 TRP 132 HH TRP 132 -3.469 10.082 3.318 1013 H ASN 133 H ASN 133 -1.923 7.481 12.398 1014 HA ASN 133 HA ASN 133 0.838 8.033 12.035 1015 HB2 ASN 133 2HB ASN 133 -0.502 7.794 14.241 1016 HB3 ASN 133 1HB ASN 133 -0.198 6.064 14.083 1017 HD21 ASN 133 1HD2 ASN 133 1.124 6.367 16.138 1018 HD22 ASN 133 2HD2 ASN 133 2.722 6.923 15.995 1019 H ILE 134 H ILE 134 -0.989 5.013 11.999 1020 HA ILE 134 HA ILE 134 1.161 3.211 11.544 1021 HB ILE 134 HB ILE 134 -1.664 3.046 10.475 1022 HG12 ILE 134 2HG1 ILE 134 -0.565 2.013 13.106 1023 HG13 ILE 134 1HG1 ILE 134 -1.520 3.491 12.950 1024 HG21 ILE 134 1HG2 ILE 134 0.175 1.449 9.664 1025 HG22 ILE 134 2HG2 ILE 134 -1.292 0.719 10.309 1026 HG23 ILE 134 3HG2 ILE 134 0.162 0.801 11.301 1027 HD11 ILE 134 1HD1 ILE 134 -3.175 1.925 13.458 1028 HD12 ILE 134 2HD1 ILE 134 -2.373 0.637 12.557 1029 HD13 ILE 134 3HD1 ILE 134 -3.220 1.921 11.695 1030 H HIS 135 H HIS 135 -0.922 5.099 9.409 1031 HA HIS 135 HA HIS 135 0.128 4.206 6.914 1032 HB2 HIS 135 2HB HIS 135 -1.991 5.449 7.103 1033 HB3 HIS 135 1HB HIS 135 -1.108 6.882 7.629 1034 HD1 HIS 135 1HD HIS 135 1.042 5.434 5.260 1035 HD2 HIS 135 2HD HIS 135 -2.506 7.602 4.953 1036 HE1 HIS 135 1HE HIS 135 0.981 6.338 2.901 1037 HE2 HIS 135 2HE HIS 135 -1.193 7.649 2.687 1038 H LYS 136 H LYS 136 1.208 6.713 9.175 1039 HA LYS 136 HA LYS 136 2.994 8.097 7.493 1040 HB2 LYS 136 2HB LYS 136 3.316 7.352 10.401 1041 HB3 LYS 136 1HB LYS 136 4.364 8.474 9.560 1042 HG2 LYS 136 2HG LYS 136 2.377 9.856 9.001 1043 HG3 LYS 136 1HG LYS 136 1.386 8.760 9.955 1044 HD2 LYS 136 2HD LYS 136 2.807 9.254 11.943 1045 HD3 LYS 136 1HD LYS 136 3.703 10.426 10.975 1046 HE2 LYS 136 2HE LYS 136 0.709 10.541 11.432 1047 HE3 LYS 136 1HE LYS 136 1.888 11.462 12.365 1048 HZ1 LYS 136 1HZ LYS 136 0.804 12.548 10.323 1049 HZ2 LYS 136 2HZ LYS 136 1.881 11.593 9.421 1050 HZ3 LYS 136 3HZ LYS 136 2.477 12.723 10.541 1051 H ALA 137 H ALA 137 3.358 4.981 9.130 1052 HA ALA 137 HA ALA 137 6.127 4.609 8.386 1053 HB1 ALA 137 1HB ALA 137 3.900 2.712 9.082 1054 HB2 ALA 137 2HB ALA 137 5.391 3.038 9.968 1055 HB3 ALA 137 3HB ALA 137 5.436 2.094 8.483 1056 H LEU 138 H LEU 138 3.044 3.759 6.839 1057 HA LEU 138 HA LEU 138 4.248 2.587 4.494 1058 HB2 LEU 138 2HB LEU 138 1.514 3.848 4.880 1059 HB3 LEU 138 1HB LEU 138 1.998 2.897 3.481 1060 HG LEU 138 HG LEU 138 1.944 1.905 6.345 1061 HD11 LEU 138 1HD1 LEU 138 -0.044 2.001 4.198 1062 HD12 LEU 138 2HD1 LEU 138 -0.259 1.617 5.907 1063 HD13 LEU 138 3HD1 LEU 138 0.246 0.360 4.777 1064 HD21 LEU 138 1HD2 LEU 138 2.955 0.797 3.759 1065 HD22 LEU 138 2HD2 LEU 138 2.141 -0.315 4.859 1066 HD23 LEU 138 3HD2 LEU 138 3.573 0.565 5.395 1067 H ASP 139 H ASP 139 3.687 5.810 5.608 1068 HA ASP 139 HA ASP 139 4.605 7.805 4.731 1069 HB2 ASP 139 2HB ASP 139 6.065 5.962 3.407 1070 HB3 ASP 139 1HB ASP 139 5.189 6.678 2.061 1071 H GLY 140 H GLY 140 2.694 8.926 4.573 1072 HA2 GLY 140 2HA GLY 140 1.166 8.652 2.019 1073 HA3 GLY 140 1HA GLY 140 0.424 9.097 3.551 1074 HA PRO 141 HA PRO 141 3.272 12.868 2.353 1075 HB2 PRO 141 2HB PRO 141 3.786 12.960 -0.392 1076 HB3 PRO 141 1HB PRO 141 4.945 12.485 0.862 1077 HG2 PRO 141 2HG PRO 141 3.347 10.805 -0.973 1078 HG3 PRO 141 1HG PRO 141 4.955 10.524 -0.285 1079 HD2 PRO 141 2HD PRO 141 2.725 9.235 0.596 1080 HD3 PRO 141 1HD PRO 141 4.110 9.584 1.652 1081 H SER 142 H SER 142 2.153 14.755 2.020 1082 HA SER 142 HA SER 142 -0.479 14.582 0.738 1083 HB2 SER 142 2HB SER 142 0.773 16.233 2.723 1084 HB3 SER 142 1HB SER 142 0.141 17.264 1.442 1085 HG SER 142 HG SER 142 -1.399 15.142 2.470 1086 HA PRO 143 HA PRO 143 1.913 17.975 -1.954 1087 HB2 PRO 143 2HB PRO 143 4.534 16.556 -1.961 1088 HB3 PRO 143 1HB PRO 143 4.192 18.298 -1.927 1089 HG2 PRO 143 2HG PRO 143 5.037 17.026 0.243 1090 HG3 PRO 143 1HG PRO 143 3.826 18.316 0.346 1091 HD2 PRO 143 2HD PRO 143 3.446 15.353 0.546 1092 HD3 PRO 143 1HD PRO 143 2.602 16.657 1.416 1093 H GLY 144 H GLY 144 2.416 14.495 -1.983 1094 HA2 GLY 144 2HA GLY 144 1.724 14.501 -4.867 1095 HA3 GLY 144 1HA GLY 144 3.143 13.593 -4.340 1096 H GLU 145 H GLU 145 1.124 12.195 -5.550 1097 HA GLU 145 HA GLU 145 -0.417 10.944 -3.339 1098 HB2 GLU 145 2HB GLU 145 -0.727 10.685 -6.336 1099 HB3 GLU 145 1HB GLU 145 -1.764 9.917 -5.138 1100 HG2 GLU 145 2HG GLU 145 -1.354 12.909 -5.412 1101 HG3 GLU 145 1HG GLU 145 -2.753 12.023 -6.018 1102 H THR 146 H THR 146 -0.557 8.510 -3.442 1103 HA THR 146 HA THR 146 2.010 7.318 -3.388 1104 HB THR 146 HB THR 146 -0.685 6.020 -3.807 1105 HG1 THR 146 1HG THR 146 -0.040 5.559 -1.447 1106 HG21 THR 146 1HG2 THR 146 2.040 4.908 -3.154 1107 HG22 THR 146 2HG2 THR 146 0.943 4.424 -4.449 1108 HG23 THR 146 3HG2 THR 146 0.554 4.036 -2.771 1109 H LEU 147 H LEU 147 -0.398 7.500 -5.961 1110 HA LEU 147 HA LEU 147 0.994 5.774 -7.782 1111 HB2 LEU 147 2HB LEU 147 -0.946 8.018 -8.409 1112 HB3 LEU 147 1HB LEU 147 -0.494 6.688 -9.468 1113 HG LEU 147 HG LEU 147 -1.236 5.210 -7.389 1114 HD11 LEU 147 1HD1 LEU 147 -2.046 7.811 -6.549 1115 HD12 LEU 147 2HD1 LEU 147 -2.374 6.269 -5.770 1116 HD13 LEU 147 3HD1 LEU 147 -3.508 6.915 -6.954 1117 HD21 LEU 147 1HD2 LEU 147 -3.718 5.648 -8.463 1118 HD22 LEU 147 2HD2 LEU 147 -2.478 4.642 -9.211 1119 HD23 LEU 147 3HD2 LEU 147 -2.681 6.315 -9.722 1120 H ALA 148 H ALA 148 1.292 9.150 -6.937 1121 HA ALA 148 HA ALA 148 2.723 10.002 -9.279 1122 HB1 ALA 148 1HB ALA 148 3.477 11.492 -6.926 1123 HB2 ALA 148 2HB ALA 148 1.739 11.190 -6.924 1124 HB3 ALA 148 3HB ALA 148 2.490 12.006 -8.295 1125 H ARG 149 H ARG 149 3.916 9.099 -6.023 1126 HA ARG 149 HA ARG 149 6.662 9.502 -6.695 1127 HB2 ARG 149 2HB ARG 149 6.943 7.803 -4.686 1128 HB3 ARG 149 1HB ARG 149 6.372 9.447 -4.409 1129 HG2 ARG 149 2HG ARG 149 4.257 8.763 -3.887 1130 HG3 ARG 149 1HG ARG 149 4.277 7.473 -5.086 1131 HD2 ARG 149 2HD ARG 149 5.291 5.957 -3.655 1132 HD3 ARG 149 1HD ARG 149 6.042 7.219 -2.680 1133 HE ARG 149 HE ARG 149 3.397 7.629 -2.162 1134 HH11 ARG 149 1HH1 ARG 149 2.202 6.521 -0.596 1135 HH12 ARG 149 2HH1 ARG 149 2.677 4.922 -0.133 1136 HH21 ARG 149 1HH2 ARG 149 5.390 4.818 -2.290 1137 HH22 ARG 149 2HH2 ARG 149 4.482 3.957 -1.094 1138 H PHE 150 H PHE 150 4.836 6.405 -6.463 1139 HA PHE 150 HA PHE 150 7.079 4.852 -7.362 1140 HB2 PHE 150 2HB PHE 150 5.729 3.068 -7.012 1141 HB3 PHE 150 1HB PHE 150 4.630 4.249 -6.295 1142 HD1 PHE 150 1HD PHE 150 4.850 1.647 -8.596 1143 HD2 PHE 150 2HD PHE 150 3.202 5.579 -8.157 1144 HE1 PHE 150 1HE PHE 150 3.178 1.137 -10.353 1145 HE2 PHE 150 2HE PHE 150 1.522 5.075 -9.914 1146 HZ PHE 150 HZ PHE 150 1.517 2.850 -11.009 1147 H ALA 151 H ALA 151 4.455 6.462 -9.102 1148 HA ALA 151 HA ALA 151 4.937 5.184 -11.625 1149 HB1 ALA 151 1HB ALA 151 3.770 7.902 -10.983 1150 HB2 ALA 151 2HB ALA 151 2.871 6.402 -11.218 1151 HB3 ALA 151 3HB ALA 151 3.720 7.143 -12.574 1152 H ASN 152 H ASN 152 6.104 8.255 -10.268 1153 HA ASN 152 HA ASN 152 7.595 9.091 -12.531 1154 HB2 ASN 152 2HB ASN 152 8.282 10.786 -11.190 1155 HB3 ASN 152 1HB ASN 152 7.149 10.103 -10.022 1156 HD21 ASN 152 1HD2 ASN 152 8.024 8.753 -8.302 1157 HD22 ASN 152 2HD2 ASN 152 9.682 8.766 -7.930 1158 H VAL 153 H VAL 153 8.496 6.941 -9.853 1159 HA VAL 153 HA VAL 153 11.241 6.612 -10.655 1160 HB VAL 153 HB VAL 153 9.468 4.630 -9.214 1161 HG11 VAL 153 1HG1 VAL 153 11.307 3.355 -9.081 1162 HG12 VAL 153 2HG1 VAL 153 12.201 4.691 -8.357 1163 HG13 VAL 153 3HG1 VAL 153 12.157 4.507 -10.110 1164 HG21 VAL 153 1HG2 VAL 153 9.381 6.157 -7.571 1165 HG22 VAL 153 2HG2 VAL 153 10.471 7.232 -8.444 1166 HG23 VAL 153 3HG2 VAL 153 11.125 5.976 -7.396 1167 H ILE 154 H ILE 154 8.252 4.898 -11.385 1168 HA ILE 154 HA ILE 154 9.500 2.897 -13.050 1169 HB ILE 154 HB ILE 154 6.645 3.833 -12.758 1170 HG12 ILE 154 2HG1 ILE 154 8.067 1.356 -11.768 1171 HG13 ILE 154 1HG1 ILE 154 7.724 2.767 -10.778 1172 HG21 ILE 154 1HG2 ILE 154 6.214 1.539 -13.856 1173 HG22 ILE 154 2HG2 ILE 154 7.892 1.628 -14.389 1174 HG23 ILE 154 3HG2 ILE 154 6.736 2.854 -14.908 1175 HD11 ILE 154 1HD1 ILE 154 5.318 2.486 -11.181 1176 HD12 ILE 154 2HD1 ILE 154 6.003 1.030 -10.460 1177 HD13 ILE 154 3HD1 ILE 154 5.645 1.075 -12.185 1178 HBB 96F 201 HBB SUM 155 0.752 10.596 0.015 1179 HBC 96F 201 HBC SUM 155 -0.779 10.869 -0.851 1180 HBA 96F 201 HBA SUM 155 0.393 9.680 -1.467 1181 HA2 96F 201 2HA SUM 155 -0.839 9.386 1.290 1182 HA1 96F 201 1HA SUM 155 -0.070 8.143 0.278 1183 HAY 96F 201 HAY SUM 155 -4.125 8.692 0.301 1184 HAZ 96F 201 HAZ SUM 155 -3.253 10.216 0.598 1185 HA0 96F 201 0HA SUM 155 -2.940 8.799 1.627 1186 HBE 96F 201 HBE SUM 155 -2.899 10.068 -1.507 1187 H1 96F 201 HAV SUM 155 -3.304 7.297 -2.473 1188 HAS 96F 201 HAS SUM 155 -5.860 5.348 -2.766 1189 HAT 96F 201 HAT SUM 155 -6.010 5.852 -4.467 1190 HAU 96F 201 HAU SUM 155 -4.952 6.759 -3.362 1191 HAK 96F 201 HAK SUM 155 -4.923 4.676 -5.990 1192 HAF 96F 201 HAF SUM 155 -2.336 2.459 -9.390 1193 HAE 96F 201 HAE SUM 155 -0.348 1.143 -10.060 1194 HAD 96F 201 HAD SUM 155 1.427 0.644 -8.392 1195 HAR 96F 201 HAR SUM 155 1.592 2.238 -5.408 1196 HAQ 96F 201 HAQ SUM 155 -1.434 3.747 -1.611 Start of MODEL 12 1 H MET 1 1HT MET 1 -2.969 15.615 6.296 2 HA MET 1 HA MET 1 -3.865 12.881 6.159 3 HB2 MET 1 2HB MET 1 -1.956 12.791 7.920 4 HB3 MET 1 1HB MET 1 -1.535 13.229 6.265 5 HG2 MET 1 2HG MET 1 -1.095 15.415 6.808 6 HG3 MET 1 1HG MET 1 -2.324 15.456 8.074 7 HE1 MET 1 1HE MET 1 1.117 16.476 9.418 8 HE2 MET 1 2HE MET 1 -0.430 16.536 10.260 9 HE3 MET 1 3HE MET 1 -0.350 16.948 8.549 10 HA PRO 2 HA PRO 2 -6.519 14.429 9.725 11 HB2 PRO 2 2HB PRO 2 -8.371 12.427 8.587 12 HB3 PRO 2 1HB PRO 2 -8.674 14.115 9.037 13 HG2 PRO 2 2HG PRO 2 -8.536 13.300 6.479 14 HG3 PRO 2 1HG PRO 2 -8.032 14.915 7.002 15 HD2 PRO 2 2HD PRO 2 -6.344 12.567 6.246 16 HD3 PRO 2 1HD PRO 2 -6.026 14.305 6.036 17 H GLU 3 H GLU 3 -6.862 13.293 11.670 18 HA GLU 3 HA GLU 3 -5.308 10.940 12.135 19 HB2 GLU 3 2HB GLU 3 -7.566 12.167 13.749 20 HB3 GLU 3 1HB GLU 3 -6.491 10.901 14.334 21 HG2 GLU 3 2HG GLU 3 -4.545 12.391 13.937 22 HG3 GLU 3 1HG GLU 3 -5.650 13.667 13.426 23 H GLU 4 H GLU 4 -8.662 11.439 11.225 24 HA GLU 4 HA GLU 4 -9.251 8.555 11.583 25 HB2 GLU 4 2HB GLU 4 -10.910 10.282 12.313 26 HB3 GLU 4 1HB GLU 4 -11.070 10.766 10.625 27 HG2 GLU 4 2HG GLU 4 -11.729 8.434 10.046 28 HG3 GLU 4 1HG GLU 4 -11.664 8.021 11.761 29 H ILE 5 H ILE 5 -9.823 7.219 9.823 30 HA ILE 5 HA ILE 5 -9.144 8.332 7.134 31 HB ILE 5 HB ILE 5 -8.944 5.427 7.438 32 HG12 ILE 5 2HG1 ILE 5 -8.211 6.112 9.697 33 HG13 ILE 5 1HG1 ILE 5 -6.885 5.459 8.748 34 HG21 ILE 5 1HG2 ILE 5 -7.076 7.600 6.500 35 HG22 ILE 5 2HG2 ILE 5 -8.134 6.623 5.482 36 HG23 ILE 5 3HG2 ILE 5 -6.781 5.871 6.329 37 HD11 ILE 5 1HD1 ILE 5 -6.912 7.919 10.043 38 HD12 ILE 5 2HD1 ILE 5 -7.193 8.322 8.352 39 HD13 ILE 5 3HD1 ILE 5 -5.761 7.404 8.812 40 HA PRO 6 HA PRO 6 -13.487 6.857 6.836 41 HB2 PRO 6 2HB PRO 6 -14.339 8.847 5.151 42 HB3 PRO 6 1HB PRO 6 -14.335 8.986 6.918 43 HG2 PRO 6 2HG PRO 6 -12.536 10.197 4.930 44 HG3 PRO 6 1HG PRO 6 -12.972 10.753 6.551 45 HD2 PRO 6 2HD PRO 6 -10.564 9.482 5.820 46 HD3 PRO 6 1HD PRO 6 -11.140 9.760 7.477 47 H ASP 7 H ASP 7 -14.705 6.100 4.884 48 HA ASP 7 HA ASP 7 -12.972 4.837 2.995 49 HB2 ASP 7 2HB ASP 7 -15.101 4.256 1.811 50 HB3 ASP 7 1HB ASP 7 -15.127 3.857 3.528 51 H VAL 8 H VAL 8 -12.079 5.638 1.194 52 HA VAL 8 HA VAL 8 -13.428 7.871 -0.236 53 HB VAL 8 HB VAL 8 -11.662 8.814 1.282 54 HG11 VAL 8 1HG1 VAL 8 -10.228 6.591 0.556 55 HG12 VAL 8 2HG1 VAL 8 -9.528 8.032 1.292 56 HG13 VAL 8 3HG1 VAL 8 -9.495 7.832 -0.460 57 HG21 VAL 8 1HG2 VAL 8 -12.111 9.279 -1.480 58 HG22 VAL 8 2HG2 VAL 8 -10.370 9.400 -1.225 59 HG23 VAL 8 3HG2 VAL 8 -11.470 10.415 -0.291 60 H ARG 9 H ARG 9 -13.180 7.745 -2.484 61 HA ARG 9 HA ARG 9 -11.486 5.480 -3.481 62 HB2 ARG 9 2HB ARG 9 -13.925 5.035 -3.687 63 HB3 ARG 9 1HB ARG 9 -14.089 6.502 -4.654 64 HG2 ARG 9 2HG ARG 9 -12.463 5.571 -6.293 65 HG3 ARG 9 1HG ARG 9 -12.400 4.082 -5.350 66 HD2 ARG 9 2HD ARG 9 -14.903 5.251 -6.602 67 HD3 ARG 9 1HD ARG 9 -13.984 3.892 -7.247 68 HE ARG 9 HE ARG 9 -14.592 3.154 -4.629 69 HH11 ARG 9 1HH1 ARG 9 -16.444 1.954 -4.137 70 HH12 ARG 9 2HH1 ARG 9 -17.803 2.007 -5.209 71 HH21 ARG 9 1HH2 ARG 9 -16.290 4.179 -7.449 72 HH22 ARG 9 2HH2 ARG 9 -17.715 3.266 -7.084 73 H LYS 10 H LYS 10 -9.816 6.224 -4.681 74 HA LYS 10 HA LYS 10 -10.280 8.587 -6.438 75 HB2 LYS 10 2HB LYS 10 -7.887 8.172 -4.618 76 HB3 LYS 10 1HB LYS 10 -8.026 9.447 -5.832 77 HG2 LYS 10 2HG LYS 10 -10.092 10.257 -4.680 78 HG3 LYS 10 1HG LYS 10 -9.823 9.051 -3.420 79 HD2 LYS 10 2HD LYS 10 -7.575 10.056 -2.996 80 HD3 LYS 10 1HD LYS 10 -7.951 11.315 -4.173 81 HE2 LYS 10 2HE LYS 10 -10.178 11.280 -2.494 82 HE3 LYS 10 1HE LYS 10 -8.812 11.069 -1.397 83 HZ1 LYS 10 1HZ LYS 10 -9.622 13.435 -2.255 84 HZ2 LYS 10 2HZ LYS 10 -8.508 13.072 -3.485 85 HZ3 LYS 10 3HZ LYS 10 -8.005 13.107 -1.863 86 H SER 11 H SER 11 -9.071 8.536 -8.383 87 HA SER 11 HA SER 11 -7.300 6.176 -8.793 88 HB2 SER 11 2HB SER 11 -8.384 5.649 -10.911 89 HB3 SER 11 1HB SER 11 -9.592 5.620 -9.627 90 HG SER 11 HG SER 11 -10.016 6.853 -11.689 91 H VAL 12 H VAL 12 -5.723 6.503 -10.450 92 HA VAL 12 HA VAL 12 -5.668 9.132 -11.800 93 HB VAL 12 HB VAL 12 -4.061 8.474 -9.455 94 HG11 VAL 12 1HG1 VAL 12 -2.635 9.341 -11.989 95 HG12 VAL 12 2HG1 VAL 12 -2.316 7.882 -11.051 96 HG13 VAL 12 3HG1 VAL 12 -1.948 9.464 -10.372 97 HG21 VAL 12 1HG2 VAL 12 -3.709 10.905 -9.486 98 HG22 VAL 12 2HG2 VAL 12 -5.407 10.524 -9.770 99 HG23 VAL 12 3HG2 VAL 12 -4.369 10.988 -11.120 100 H VAL 13 H VAL 13 -4.111 9.152 -13.583 101 HA VAL 13 HA VAL 13 -3.474 6.397 -14.500 102 HB VAL 13 HB VAL 13 -3.593 8.977 -16.088 103 HG11 VAL 13 1HG1 VAL 13 -3.560 7.471 -18.033 104 HG12 VAL 13 2HG1 VAL 13 -3.455 6.074 -16.961 105 HG13 VAL 13 3HG1 VAL 13 -2.122 7.226 -17.042 106 HG21 VAL 13 1HG2 VAL 13 -5.830 8.707 -16.091 107 HG22 VAL 13 2HG2 VAL 13 -5.675 7.280 -15.065 108 HG23 VAL 13 3HG2 VAL 13 -5.618 7.115 -16.820 109 H VAL 14 H VAL 14 -1.371 5.793 -14.777 110 HA VAL 14 HA VAL 14 0.721 7.920 -14.617 111 HB VAL 14 HB VAL 14 2.105 6.321 -13.296 112 HG11 VAL 14 1HG1 VAL 14 -0.487 7.450 -12.364 113 HG12 VAL 14 2HG1 VAL 14 1.152 7.778 -11.798 114 HG13 VAL 14 3HG1 VAL 14 0.315 6.314 -11.279 115 HG21 VAL 14 1HG2 VAL 14 -0.444 4.699 -13.449 116 HG22 VAL 14 2HG2 VAL 14 0.796 4.410 -12.229 117 HG23 VAL 14 3HG2 VAL 14 1.179 4.209 -13.938 118 H ALA 15 H ALA 15 2.836 7.168 -15.573 119 HA ALA 15 HA ALA 15 2.304 5.730 -18.069 120 HB1 ALA 15 1HB ALA 15 4.494 6.419 -18.734 121 HB2 ALA 15 2HB ALA 15 4.985 6.697 -17.062 122 HB3 ALA 15 3HB ALA 15 3.817 7.775 -17.831 123 H ALA 16 H ALA 16 1.962 3.527 -17.475 124 HA ALA 16 HA ALA 16 4.311 1.922 -17.174 125 HB1 ALA 16 1HB ALA 16 2.817 1.448 -14.709 126 HB2 ALA 16 2HB ALA 16 3.520 3.064 -14.765 127 HB3 ALA 16 3HB ALA 16 4.554 1.646 -14.946 128 H SER 17 H SER 17 3.729 -0.411 -16.858 129 HA SER 17 HA SER 17 1.036 -0.951 -17.984 130 HB2 SER 17 2HB SER 17 3.457 -2.765 -17.716 131 HB3 SER 17 1HB SER 17 1.946 -3.185 -18.519 132 HG SER 17 HG SER 17 2.955 -2.375 -20.192 133 H VAL 18 H VAL 18 -0.305 -2.593 -16.913 134 HA VAL 18 HA VAL 18 -0.304 -2.400 -14.077 135 HB VAL 18 HB VAL 18 -2.030 -4.133 -14.145 136 HG11 VAL 18 1HG1 VAL 18 -3.587 -2.895 -15.410 137 HG12 VAL 18 2HG1 VAL 18 -2.383 -2.455 -16.615 138 HG13 VAL 18 3HG1 VAL 18 -2.342 -1.709 -15.020 139 HG21 VAL 18 1HG2 VAL 18 -0.734 -4.670 -16.773 140 HG22 VAL 18 2HG2 VAL 18 -2.489 -4.843 -16.703 141 HG23 VAL 18 3HG2 VAL 18 -1.466 -5.799 -15.630 142 H GLU 19 H GLU 19 1.030 -4.886 -16.223 143 HA GLU 19 HA GLU 19 1.684 -6.786 -14.203 144 HB2 GLU 19 2HB GLU 19 3.040 -6.134 -16.827 145 HB3 GLU 19 1HB GLU 19 3.430 -7.535 -15.841 146 HG2 GLU 19 2HG GLU 19 1.069 -8.290 -16.012 147 HG3 GLU 19 1HG GLU 19 0.725 -6.909 -17.055 148 H HIS 20 H HIS 20 3.354 -3.959 -15.479 149 HA HIS 20 HA HIS 20 5.787 -4.265 -14.005 150 HB2 HIS 20 2HB HIS 20 5.796 -2.686 -15.795 151 HB3 HIS 20 1HB HIS 20 4.381 -1.848 -15.152 152 HD1 HIS 20 1HD HIS 20 8.053 -1.960 -14.940 153 HD2 HIS 20 2HD HIS 20 4.938 -0.422 -12.620 154 HE1 HIS 20 1HE HIS 20 9.103 -0.370 -13.275 155 HE2 HIS 20 2HE HIS 20 7.220 0.581 -11.879 156 H CYS 21 H CYS 21 2.719 -2.658 -13.274 157 HA CYS 21 HA CYS 21 3.393 -1.301 -10.930 158 HB2 CYS 21 2HB CYS 21 0.862 -2.864 -11.513 159 HB3 CYS 21 1HB CYS 21 1.033 -1.643 -10.258 160 HG CYS 21 HG CYS 21 1.821 -0.142 -12.563 161 H PHE 22 H PHE 22 2.501 -4.728 -11.302 162 HA PHE 22 HA PHE 22 2.943 -5.154 -8.440 163 HB2 PHE 22 2HB PHE 22 1.704 -6.660 -10.585 164 HB3 PHE 22 1HB PHE 22 2.762 -7.676 -9.592 165 HD1 PHE 22 1HD PHE 22 0.037 -5.153 -9.420 166 HD2 PHE 22 2HD PHE 22 2.154 -8.278 -7.372 167 HE1 PHE 22 1HE PHE 22 -1.583 -5.024 -7.556 168 HE2 PHE 22 2HE PHE 22 0.526 -8.162 -5.496 169 HZ PHE 22 HZ PHE 22 -1.341 -6.520 -5.601 170 H GLU 23 H GLU 23 4.770 -5.561 -11.394 171 HA GLU 23 HA GLU 23 6.746 -7.353 -10.395 172 HB2 GLU 23 2HB GLU 23 6.621 -6.678 -12.775 173 HB3 GLU 23 1HB GLU 23 7.105 -5.047 -12.321 174 HG2 GLU 23 2HG GLU 23 9.218 -5.945 -11.386 175 HG3 GLU 23 1HG GLU 23 8.745 -7.561 -11.913 176 H VAL 24 H VAL 24 6.401 -3.840 -10.200 177 HA VAL 24 HA VAL 24 8.873 -3.381 -8.812 178 HB VAL 24 HB VAL 24 6.309 -1.763 -8.894 179 HG11 VAL 24 1HG1 VAL 24 7.781 0.110 -8.207 180 HG12 VAL 24 2HG1 VAL 24 9.116 -1.026 -8.026 181 HG13 VAL 24 3HG1 VAL 24 7.706 -1.149 -6.978 182 HG21 VAL 24 1HG2 VAL 24 7.915 -0.400 -10.458 183 HG22 VAL 24 2HG2 VAL 24 7.093 -1.826 -11.096 184 HG23 VAL 24 3HG2 VAL 24 8.783 -1.929 -10.597 185 H PHE 25 H PHE 25 5.538 -3.961 -7.769 186 HA PHE 25 HA PHE 25 5.781 -3.433 -5.017 187 HB2 PHE 25 2HB PHE 25 4.137 -5.448 -6.544 188 HB3 PHE 25 1HB PHE 25 3.978 -5.234 -4.810 189 HD1 PHE 25 1HD PHE 25 1.560 -4.707 -5.424 190 HD2 PHE 25 2HD PHE 25 4.837 -2.152 -6.569 191 HE1 PHE 25 1HE PHE 25 -0.006 -2.832 -5.773 192 HE2 PHE 25 2HE PHE 25 3.266 -0.297 -6.901 193 HZ PHE 25 HZ PHE 25 0.854 -0.625 -6.501 194 H THR 26 H THR 26 6.372 -6.537 -6.692 195 HA THR 26 HA THR 26 7.448 -7.590 -4.157 196 HB THR 26 HB THR 26 7.556 -9.751 -5.436 197 HG1 THR 26 1HG THR 26 7.562 -8.446 -7.487 198 HG21 THR 26 1HG2 THR 26 5.231 -8.245 -4.575 199 HG22 THR 26 2HG2 THR 26 5.575 -9.966 -4.382 200 HG23 THR 26 3HG2 THR 26 4.812 -9.377 -5.860 201 H SER 27 H SER 27 8.710 -5.922 -6.760 202 HA SER 27 HA SER 27 11.233 -7.456 -6.786 203 HB2 SER 27 2HB SER 27 10.310 -5.062 -8.360 204 HB3 SER 27 1HB SER 27 11.902 -5.777 -8.517 205 HG SER 27 HG SER 27 11.005 -7.165 -9.799 206 H ARG 28 H ARG 28 10.137 -4.127 -5.932 207 HA ARG 28 HA ARG 28 12.051 -3.914 -3.802 208 HB2 ARG 28 2HB ARG 28 13.474 -2.127 -5.030 209 HB3 ARG 28 1HB ARG 28 13.817 -3.820 -5.341 210 HG2 ARG 28 2HG ARG 28 13.779 -2.700 -7.475 211 HG3 ARG 28 1HG ARG 28 12.318 -3.662 -7.386 212 HD2 ARG 28 2HD ARG 28 10.981 -1.703 -6.892 213 HD3 ARG 28 1HD ARG 28 12.427 -0.707 -6.705 214 HE ARG 28 HE ARG 28 11.166 -1.402 -9.212 215 HH11 ARG 28 1HH1 ARG 28 12.216 -0.703 -11.087 216 HH12 ARG 28 2HH1 ARG 28 13.874 -0.209 -11.003 217 HH21 ARG 28 1HH2 ARG 28 14.154 -0.806 -7.599 218 HH22 ARG 28 2HH2 ARG 28 14.972 -0.268 -9.028 219 HA PRO 29 HA PRO 29 8.739 -0.591 -4.462 220 HB2 PRO 29 2HB PRO 29 7.568 -0.986 -1.964 221 HB3 PRO 29 1HB PRO 29 6.949 -1.598 -3.508 222 HG2 PRO 29 2HG PRO 29 8.484 -2.981 -1.405 223 HG3 PRO 29 1HG PRO 29 7.256 -3.609 -2.509 224 HD2 PRO 29 2HD PRO 29 9.926 -4.106 -2.852 225 HD3 PRO 29 1HD PRO 29 8.785 -4.014 -4.203 226 H ALA 30 H ALA 30 10.873 -1.419 -1.802 227 HA ALA 30 HA ALA 30 10.703 1.192 -0.533 228 HB1 ALA 30 1HB ALA 30 11.360 -0.583 0.893 229 HB2 ALA 30 2HB ALA 30 12.835 0.347 0.629 230 HB3 ALA 30 3HB ALA 30 12.574 -1.158 -0.250 231 H ASP 31 H ASP 31 12.864 -0.292 -2.906 232 HA ASP 31 HA ASP 31 14.949 1.622 -2.820 233 HB2 ASP 31 2HB ASP 31 13.927 0.050 -5.188 234 HB3 ASP 31 1HB ASP 31 15.459 0.911 -5.140 235 H TRP 32 H TRP 32 11.810 1.864 -4.537 236 HA TRP 32 HA TRP 32 12.747 4.177 -6.025 237 HB2 TRP 32 2HB TRP 32 10.759 4.152 -7.141 238 HB3 TRP 32 1HB TRP 32 10.709 2.514 -6.510 239 HD1 TRP 32 HD TRP 32 9.582 6.007 -5.206 240 HE1 TRP 32 1HE TRP 32 7.278 5.734 -4.113 241 HE3 TRP 32 3HE TRP 32 8.836 1.038 -5.999 242 HZ2 TRP 32 2HZ TRP 32 5.360 3.681 -3.675 243 HZ3 TRP 32 3HZ TRP 32 6.720 -0.047 -5.259 244 HH2 TRP 32 HH TRP 32 4.978 1.275 -4.100 245 H TRP 33 H TRP 33 11.360 3.731 -2.866 246 HA TRP 33 HA TRP 33 10.226 6.232 -2.380 247 HB2 TRP 33 2HB TRP 33 10.021 4.986 -0.488 248 HB3 TRP 33 1HB TRP 33 11.578 4.200 -0.709 249 HD1 TRP 33 HD TRP 33 10.736 7.947 -0.296 250 HE1 TRP 33 1HE TRP 33 12.150 8.883 1.650 251 HE3 TRP 33 3HE TRP 33 13.061 3.667 1.246 252 HZ2 TRP 33 2HZ TRP 33 14.018 7.937 3.602 253 HZ3 TRP 33 3HZ TRP 33 14.647 3.712 3.147 254 HH2 TRP 33 HH TRP 33 15.129 5.839 4.325 255 HA PRO 34 HA PRO 34 14.615 7.970 -1.053 256 HB2 PRO 34 2HB PRO 34 16.575 6.752 -2.742 257 HB3 PRO 34 1HB PRO 34 16.462 6.711 -0.982 258 HG2 PRO 34 2HG PRO 34 15.738 4.664 -2.913 259 HG3 PRO 34 1HG PRO 34 15.994 4.535 -1.171 260 HD2 PRO 34 2HD PRO 34 13.529 4.358 -2.409 261 HD3 PRO 34 1HD PRO 34 13.772 4.765 -0.706 262 HA PRO 35 HA PRO 35 15.653 9.352 -5.580 263 HB2 PRO 35 2HB PRO 35 14.096 8.128 -7.539 264 HB3 PRO 35 1HB PRO 35 15.784 7.726 -7.179 265 HG2 PRO 35 2HG PRO 35 13.294 6.358 -6.339 266 HG3 PRO 35 1HG PRO 35 14.867 5.674 -6.771 267 HD2 PRO 35 2HD PRO 35 14.071 5.861 -4.186 268 HD3 PRO 35 1HD PRO 35 15.770 6.053 -4.673 269 H SER 36 H SER 36 12.461 8.400 -4.526 270 HA SER 36 HA SER 36 11.013 10.403 -6.044 271 HB2 SER 36 2HB SER 36 9.112 9.762 -4.745 272 HB3 SER 36 1HB SER 36 10.040 8.286 -4.993 273 HG SER 36 HG SER 36 10.097 8.172 -2.902 274 H HIS 37 H HIS 37 9.875 12.252 -4.969 275 HA HIS 37 HA HIS 37 11.757 13.643 -3.155 276 HB2 HIS 37 2HB HIS 37 10.866 14.802 -5.180 277 HB3 HIS 37 1HB HIS 37 9.243 14.678 -4.502 278 HD1 HIS 37 1HD HIS 37 8.630 16.247 -2.561 279 HD2 HIS 37 2HD HIS 37 12.601 16.628 -3.782 280 HE1 HIS 37 1HE HIS 37 9.540 18.316 -1.412 281 HE2 HIS 37 2HE HIS 37 11.955 18.556 -2.149 282 H VAL 38 H VAL 38 9.635 11.441 -2.465 283 HA VAL 38 HA VAL 38 8.168 12.983 -0.370 284 HB VAL 38 HB VAL 38 7.695 10.137 -1.306 285 HG11 VAL 38 1HG1 VAL 38 5.592 11.810 -0.033 286 HG12 VAL 38 2HG1 VAL 38 6.889 11.253 1.022 287 HG13 VAL 38 3HG1 VAL 38 5.911 10.085 0.135 288 HG21 VAL 38 1HG2 VAL 38 6.327 12.733 -2.084 289 HG22 VAL 38 2HG2 VAL 38 5.760 11.122 -2.528 290 HG23 VAL 38 3HG2 VAL 38 7.304 11.715 -3.142 291 H LEU 39 H LEU 39 8.586 12.598 1.770 292 HA LEU 39 HA LEU 39 10.873 10.830 2.397 293 HB2 LEU 39 2HB LEU 39 9.355 12.732 4.207 294 HB3 LEU 39 1HB LEU 39 10.904 11.963 4.553 295 HG LEU 39 HG LEU 39 10.344 13.963 2.344 296 HD11 LEU 39 1HD1 LEU 39 12.257 15.125 3.722 297 HD12 LEU 39 2HD1 LEU 39 11.706 14.066 5.020 298 HD13 LEU 39 3HD1 LEU 39 10.592 15.224 4.295 299 HD21 LEU 39 1HD2 LEU 39 12.671 12.163 2.950 300 HD22 LEU 39 2HD2 LEU 39 12.976 13.758 2.261 301 HD23 LEU 39 3HD2 LEU 39 11.976 12.597 1.388 302 H VAL 40 H VAL 40 10.740 9.311 4.188 303 HA VAL 40 HA VAL 40 7.970 8.250 4.614 304 HB VAL 40 HB VAL 40 9.417 6.742 3.261 305 HG11 VAL 40 1HG1 VAL 40 11.579 7.505 4.174 306 HG12 VAL 40 2HG1 VAL 40 11.418 5.754 4.306 307 HG13 VAL 40 3HG1 VAL 40 11.187 6.771 5.726 308 HG21 VAL 40 1HG2 VAL 40 7.739 5.775 4.805 309 HG22 VAL 40 2HG2 VAL 40 8.946 5.752 6.089 310 HG23 VAL 40 3HG2 VAL 40 9.158 4.735 4.666 311 H LYS 41 H LYS 41 7.395 7.764 6.769 312 HA LYS 41 HA LYS 41 8.751 9.152 8.861 313 HB2 LYS 41 2HB LYS 41 6.351 8.446 8.936 314 HB3 LYS 41 1HB LYS 41 6.893 6.784 9.157 315 HG2 LYS 41 2HG LYS 41 8.120 7.472 11.203 316 HG3 LYS 41 1HG LYS 41 7.501 9.111 11.001 317 HD2 LYS 41 2HD LYS 41 5.173 8.186 11.101 318 HD3 LYS 41 1HD LYS 41 5.862 6.605 11.467 319 HE2 LYS 41 2HE LYS 41 5.915 7.187 13.640 320 HE3 LYS 41 1HE LYS 41 7.110 8.420 13.234 321 HZ1 LYS 41 1HZ LYS 41 5.288 9.941 12.721 322 HZ2 LYS 41 2HZ LYS 41 5.215 9.405 14.332 323 HZ3 LYS 41 3HZ LYS 41 4.160 8.757 13.169 324 H LYS 42 H LYS 42 8.886 5.787 7.794 325 HA LYS 42 HA LYS 42 11.218 5.377 9.629 326 HB2 LYS 42 2HB LYS 42 10.640 3.022 9.702 327 HB3 LYS 42 1HB LYS 42 9.187 3.942 10.090 328 HG2 LYS 42 2HG LYS 42 8.511 3.778 7.677 329 HG3 LYS 42 1HG LYS 42 9.889 2.711 7.409 330 HD2 LYS 42 2HD LYS 42 8.959 1.253 9.283 331 HD3 LYS 42 1HD LYS 42 7.486 2.218 9.172 332 HE2 LYS 42 2HE LYS 42 7.288 1.646 6.779 333 HE3 LYS 42 1HE LYS 42 8.757 0.676 6.891 334 HZ1 LYS 42 1HZ LYS 42 6.894 -0.024 8.923 335 HZ2 LYS 42 2HZ LYS 42 7.622 -1.009 7.746 336 HZ3 LYS 42 3HZ LYS 42 6.191 -0.167 7.387 337 H GLU 43 H GLU 43 13.105 4.528 8.652 338 HA GLU 43 HA GLU 43 13.200 4.793 5.733 339 HB2 GLU 43 2HB GLU 43 15.344 3.975 7.702 340 HB3 GLU 43 1HB GLU 43 15.611 4.359 6.005 341 HG2 GLU 43 2HG GLU 43 14.686 6.639 6.414 342 HG3 GLU 43 1HG GLU 43 14.543 6.244 8.127 343 H ARG 44 H ARG 44 12.765 3.123 4.394 344 HA ARG 44 HA ARG 44 12.457 0.418 5.429 345 HB2 ARG 44 2HB ARG 44 12.414 1.456 2.577 346 HB3 ARG 44 1HB ARG 44 11.907 -0.157 3.086 347 HG2 ARG 44 2HG ARG 44 10.225 0.912 4.599 348 HG3 ARG 44 1HG ARG 44 10.666 2.477 3.925 349 HD2 ARG 44 2HD ARG 44 10.108 1.567 1.643 350 HD3 ARG 44 1HD ARG 44 9.490 0.117 2.434 351 HE ARG 44 HE ARG 44 8.278 2.493 3.545 352 HH11 ARG 44 1HH1 ARG 44 6.117 2.876 3.003 353 HH12 ARG 44 2HH1 ARG 44 5.420 2.058 1.644 354 HH21 ARG 44 1HH2 ARG 44 8.325 0.336 0.855 355 HH22 ARG 44 2HH2 ARG 44 6.671 0.620 0.428 356 H ALA 45 H ALA 45 13.857 -1.326 5.096 357 HA ALA 45 HA ALA 45 16.495 -0.678 3.831 358 HB1 ALA 45 1HB ALA 45 15.913 -2.204 6.380 359 HB2 ALA 45 2HB ALA 45 16.797 -0.684 6.231 360 HB3 ALA 45 3HB ALA 45 17.493 -2.175 5.595 361 H GLY 46 H GLY 46 14.376 -3.344 4.904 362 HA2 GLY 46 2HA GLY 46 15.187 -4.828 2.444 363 HA3 GLY 46 1HA GLY 46 15.228 -5.645 4.009 364 H LEU 47 H LEU 47 13.559 -6.590 1.943 365 HA LEU 47 HA LEU 47 10.976 -6.288 3.298 366 HB2 LEU 47 2HB LEU 47 10.337 -6.056 0.538 367 HB3 LEU 47 1HB LEU 47 10.032 -4.885 1.822 368 HG LEU 47 HG LEU 47 12.255 -3.890 1.469 369 HD11 LEU 47 1HD1 LEU 47 13.044 -4.996 -1.002 370 HD12 LEU 47 2HD1 LEU 47 12.682 -6.375 0.037 371 HD13 LEU 47 3HD1 LEU 47 13.869 -5.175 0.546 372 HD21 LEU 47 1HD2 LEU 47 10.915 -2.682 0.093 373 HD22 LEU 47 2HD2 LEU 47 10.220 -4.125 -0.634 374 HD23 LEU 47 3HD2 LEU 47 11.779 -3.525 -1.193 375 H ALA 48 H ALA 48 9.732 -8.116 3.120 376 HA ALA 48 HA ALA 48 10.802 -10.289 1.373 377 HB1 ALA 48 1HB ALA 48 10.291 -10.391 4.062 378 HB2 ALA 48 2HB ALA 48 10.237 -11.799 3.002 379 HB3 ALA 48 3HB ALA 48 8.749 -10.948 3.409 380 H PHE 49 H PHE 49 9.373 -11.216 -0.160 381 HA PHE 49 HA PHE 49 6.591 -10.127 -0.211 382 HB2 PHE 49 2HB PHE 49 8.786 -9.627 -2.093 383 HB3 PHE 49 1HB PHE 49 7.300 -10.184 -2.861 384 HD1 PHE 49 1HD PHE 49 8.982 -7.442 -1.238 385 HD2 PHE 49 2HD PHE 49 5.137 -8.963 -2.381 386 HE1 PHE 49 1HE PHE 49 8.026 -5.171 -1.035 387 HE2 PHE 49 2HE PHE 49 4.171 -6.688 -2.168 388 HZ PHE 49 HZ PHE 49 5.615 -4.794 -1.499 389 H GLU 50 H GLU 50 5.149 -11.776 -0.526 390 HA GLU 50 HA GLU 50 6.063 -14.037 -2.257 391 HB2 GLU 50 2HB GLU 50 4.239 -15.079 -0.357 392 HB3 GLU 50 1HB GLU 50 5.928 -15.500 -0.573 393 HG2 GLU 50 2HG GLU 50 6.642 -13.788 0.953 394 HG3 GLU 50 1HG GLU 50 5.024 -13.095 1.032 395 HA PRO 51 HA PRO 51 2.067 -12.977 -4.067 396 HB2 PRO 51 2HB PRO 51 2.042 -14.630 -6.150 397 HB3 PRO 51 1HB PRO 51 3.256 -13.340 -6.029 398 HG2 PRO 51 2HG PRO 51 3.534 -16.254 -5.446 399 HG3 PRO 51 1HG PRO 51 4.647 -15.167 -6.295 400 HD2 PRO 51 2HD PRO 51 4.896 -15.885 -3.615 401 HD3 PRO 51 1HD PRO 51 5.609 -14.431 -4.355 402 H PHE 52 H PHE 52 -0.045 -13.624 -3.682 403 HA PHE 52 HA PHE 52 -1.160 -16.185 -3.934 404 HB2 PHE 52 2HB PHE 52 -1.361 -16.622 -1.335 405 HB3 PHE 52 1HB PHE 52 0.036 -17.208 -2.228 406 HD1 PHE 52 1HD PHE 52 1.191 -17.248 0.023 407 HD2 PHE 52 2HD PHE 52 -0.138 -13.571 -1.774 408 HE1 PHE 52 1HE PHE 52 2.714 -15.952 1.488 409 HE2 PHE 52 2HE PHE 52 1.404 -12.308 -0.364 410 HZ PHE 52 HZ PHE 52 2.821 -13.477 1.289 411 H VAL 53 H VAL 53 -3.121 -16.410 -2.217 412 HA VAL 53 HA VAL 53 -4.557 -13.808 -2.311 413 HB VAL 53 HB VAL 53 -6.303 -15.105 -2.939 414 HG11 VAL 53 1HG1 VAL 53 -4.625 -17.522 -2.227 415 HG12 VAL 53 2HG1 VAL 53 -4.565 -16.672 -3.773 416 HG13 VAL 53 3HG1 VAL 53 -6.040 -17.502 -3.279 417 HG21 VAL 53 1HG2 VAL 53 -7.373 -16.592 -1.317 418 HG22 VAL 53 2HG2 VAL 53 -6.833 -15.125 -0.508 419 HG23 VAL 53 3HG2 VAL 53 -5.909 -16.622 -0.338 420 H GLY 54 H GLY 54 -5.301 -12.867 -0.284 421 HA2 GLY 54 2HA GLY 54 -5.203 -12.551 2.078 422 HA3 GLY 54 1HA GLY 54 -5.056 -14.312 2.225 423 H GLY 55 H GLY 55 -3.094 -12.387 0.171 424 HA2 GLY 55 2HA GLY 55 -0.672 -13.547 1.102 425 HA3 GLY 55 1HA GLY 55 -0.832 -12.262 -0.090 426 H ARG 56 H ARG 56 1.327 -12.080 1.355 427 HA ARG 56 HA ARG 56 0.790 -9.735 3.074 428 HB2 ARG 56 2HB ARG 56 2.294 -12.199 3.982 429 HB3 ARG 56 1HB ARG 56 2.328 -10.654 4.834 430 HG2 ARG 56 2HG ARG 56 -0.162 -10.749 5.006 431 HG3 ARG 56 1HG ARG 56 -0.119 -12.354 4.280 432 HD2 ARG 56 2HD ARG 56 1.229 -11.540 6.872 433 HD3 ARG 56 1HD ARG 56 -0.219 -12.537 6.725 434 HE ARG 56 HE ARG 56 2.529 -13.418 6.244 435 HH11 ARG 56 1HH1 ARG 56 2.751 -15.614 5.755 436 HH12 ARG 56 2HH1 ARG 56 1.349 -16.538 5.328 437 HH21 ARG 56 1HH2 ARG 56 -0.835 -13.862 5.643 438 HH22 ARG 56 2HH2 ARG 56 -0.681 -15.546 5.265 439 H TYR 57 H TYR 57 2.423 -8.276 3.155 440 HA TYR 57 HA TYR 57 4.934 -8.852 1.646 441 HB2 TYR 57 2HB TYR 57 3.531 -6.171 1.856 442 HB3 TYR 57 1HB TYR 57 4.960 -6.537 0.892 443 HD1 TYR 57 1HD TYR 57 4.170 -9.171 -0.340 444 HD2 TYR 57 2HD TYR 57 1.907 -5.566 0.282 445 HE1 TYR 57 1HE TYR 57 2.703 -9.768 -2.230 446 HE2 TYR 57 2HE TYR 57 0.442 -6.169 -1.623 447 HH TYR 57 HH TYR 57 1.216 -8.468 -3.883 448 H TYR 58 H TYR 58 6.837 -8.089 2.676 449 HA TYR 58 HA TYR 58 6.400 -7.081 5.465 450 HB2 TYR 58 2HB TYR 58 8.566 -8.960 4.504 451 HB3 TYR 58 1HB TYR 58 8.219 -8.504 6.172 452 HD1 TYR 58 1HD TYR 58 6.747 -9.803 7.444 453 HD2 TYR 58 2HD TYR 58 6.558 -10.001 3.155 454 HE1 TYR 58 1HE TYR 58 5.022 -11.575 7.594 455 HE2 TYR 58 2HE TYR 58 4.828 -11.751 3.308 456 HH TYR 58 HH TYR 58 4.144 -13.509 5.006 457 H GLU 59 H GLU 59 7.840 -5.584 6.284 458 HA GLU 59 HA GLU 59 9.886 -4.472 4.395 459 HB2 GLU 59 2HB GLU 59 8.206 -2.798 4.438 460 HB3 GLU 59 1HB GLU 59 7.868 -3.057 6.146 461 HG2 GLU 59 2HG GLU 59 10.600 -2.147 5.286 462 HG3 GLU 59 1HG GLU 59 9.286 -0.980 5.401 463 H TRP 60 H TRP 60 11.859 -3.936 5.350 464 HA TRP 60 HA TRP 60 12.173 -4.782 8.204 465 HB2 TRP 60 2HB TRP 60 13.797 -5.064 5.782 466 HB3 TRP 60 1HB TRP 60 14.710 -4.397 7.133 467 HD1 TRP 60 HD TRP 60 14.165 -5.863 9.561 468 HE1 TRP 60 1HE TRP 60 14.267 -8.435 9.793 469 HE3 TRP 60 3HE TRP 60 13.668 -7.222 4.666 470 HZ2 TRP 60 2HZ TRP 60 14.117 -10.758 8.109 471 HZ3 TRP 60 3HZ TRP 60 13.647 -9.603 4.005 472 HH2 TRP 60 HH TRP 60 13.877 -11.372 5.717 473 H ASP 61 H ASP 61 12.636 -3.154 9.676 474 HA ASP 61 HA ASP 61 13.411 -0.503 8.488 475 HB2 ASP 61 2HB ASP 61 12.864 -0.309 11.296 476 HB3 ASP 61 1HB ASP 61 11.987 0.420 9.955 477 H ILE 62 H ILE 62 15.416 0.349 9.009 478 HA ILE 62 HA ILE 62 17.511 -1.305 9.796 479 HB ILE 62 HB ILE 62 18.848 0.692 10.104 480 HG12 ILE 62 2HG1 ILE 62 17.253 1.977 11.486 481 HG13 ILE 62 1HG1 ILE 62 17.860 2.930 10.147 482 HG21 ILE 62 1HG2 ILE 62 18.409 0.175 7.822 483 HG22 ILE 62 2HG2 ILE 62 18.200 1.918 7.991 484 HG23 ILE 62 3HG2 ILE 62 16.788 0.867 7.914 485 HD11 ILE 62 1HD1 ILE 62 15.118 1.749 10.530 486 HD12 ILE 62 2HD1 ILE 62 15.704 2.088 8.906 487 HD13 ILE 62 3HD1 ILE 62 15.569 3.388 10.080 488 H ASP 63 H ASP 63 15.479 0.713 11.880 489 HA ASP 63 HA ASP 63 16.908 -0.420 14.241 490 HB2 ASP 63 2HB ASP 63 14.993 1.920 13.991 491 HB3 ASP 63 1HB ASP 63 15.663 1.339 15.515 492 H GLY 64 H GLY 64 14.227 -0.797 12.283 493 HA2 GLY 64 2HA GLY 64 12.659 -2.048 14.478 494 HA3 GLY 64 1HA GLY 64 11.945 -1.425 13.000 495 H THR 65 H THR 65 12.131 -4.088 14.373 496 HA THR 65 HA THR 65 13.550 -5.964 12.777 497 HB THR 65 HB THR 65 10.946 -6.704 14.010 498 HG1 THR 65 1HG THR 65 11.617 -5.259 15.511 499 HG21 THR 65 1HG2 THR 65 13.006 -8.153 13.077 500 HG22 THR 65 2HG2 THR 65 12.011 -8.700 14.424 501 HG23 THR 65 3HG2 THR 65 13.562 -7.922 14.733 502 H GLU 66 H GLU 66 12.041 -7.772 11.648 503 HA GLU 66 HA GLU 66 10.876 -6.474 9.311 504 HB2 GLU 66 2HB GLU 66 12.102 -8.742 9.372 505 HB3 GLU 66 1HB GLU 66 10.624 -9.393 10.046 506 HG2 GLU 66 2HG GLU 66 9.385 -8.499 8.096 507 HG3 GLU 66 1HG GLU 66 10.919 -7.994 7.390 508 H ILE 67 H ILE 67 8.653 -6.317 8.841 509 HA ILE 67 HA ILE 67 6.721 -7.637 10.639 510 HB ILE 67 HB ILE 67 7.295 -5.468 11.754 511 HG12 ILE 67 2HG1 ILE 67 4.487 -5.354 10.676 512 HG13 ILE 67 1HG1 ILE 67 4.987 -6.655 11.758 513 HG21 ILE 67 1HG2 ILE 67 5.756 -3.941 9.746 514 HG22 ILE 67 2HG2 ILE 67 7.361 -4.454 9.221 515 HG23 ILE 67 3HG2 ILE 67 7.180 -3.466 10.671 516 HD11 ILE 67 1HD1 ILE 67 3.962 -4.702 12.957 517 HD12 ILE 67 2HD1 ILE 67 5.302 -3.708 12.384 518 HD13 ILE 67 3HD1 ILE 67 5.610 -5.061 13.474 519 H VAL 68 H VAL 68 4.436 -7.231 9.877 520 HA VAL 68 HA VAL 68 4.410 -7.133 6.902 521 HB VAL 68 HB VAL 68 2.161 -7.898 8.791 522 HG11 VAL 68 1HG1 VAL 68 1.458 -7.317 6.516 523 HG12 VAL 68 2HG1 VAL 68 1.300 -9.055 6.770 524 HG13 VAL 68 3HG1 VAL 68 2.660 -8.419 5.844 525 HG21 VAL 68 1HG2 VAL 68 4.602 -9.305 8.152 526 HG22 VAL 68 2HG2 VAL 68 3.216 -10.182 7.505 527 HG23 VAL 68 3HG2 VAL 68 3.291 -9.797 9.223 528 H TRP 69 H TRP 69 3.562 -5.335 5.888 529 HA TRP 69 HA TRP 69 2.286 -3.296 7.656 530 HB2 TRP 69 2HB TRP 69 2.883 -1.652 6.022 531 HB3 TRP 69 1HB TRP 69 4.297 -2.681 6.233 532 HD1 TRP 69 HD TRP 69 1.208 -2.523 3.875 533 HE1 TRP 69 1HE TRP 69 1.957 -3.286 1.542 534 HE3 TRP 69 3HE TRP 69 6.109 -3.588 4.809 535 HZ2 TRP 69 2HZ TRP 69 4.303 -4.155 0.222 536 HZ3 TRP 69 3HZ TRP 69 7.583 -4.358 2.967 537 HH2 TRP 69 HH TRP 69 6.685 -4.643 0.689 538 H GLY 70 H GLY 70 1.410 -5.652 5.373 539 HA2 GLY 70 2HA GLY 70 -1.312 -4.601 5.301 540 HA3 GLY 70 1HA GLY 70 -0.496 -4.500 3.747 541 H ARG 71 H ARG 71 -2.444 -5.964 3.329 542 HA ARG 71 HA ARG 71 -1.520 -8.774 3.394 543 HB2 ARG 71 2HB ARG 71 -3.589 -7.862 5.072 544 HB3 ARG 71 1HB ARG 71 -4.411 -8.619 3.710 545 HG2 ARG 71 2HG ARG 71 -3.055 -10.648 3.995 546 HG3 ARG 71 1HG ARG 71 -2.233 -9.905 5.363 547 HD2 ARG 71 2HD ARG 71 -3.885 -11.083 6.487 548 HD3 ARG 71 1HD ARG 71 -4.720 -9.553 6.230 549 HE ARG 71 HE ARG 71 -6.073 -10.599 4.560 550 HH11 ARG 71 1HH1 ARG 71 -6.990 -12.492 3.745 551 HH12 ARG 71 2HH1 ARG 71 -6.196 -14.009 4.006 552 HH21 ARG 71 1HH2 ARG 71 -3.562 -12.630 5.786 553 HH22 ARG 71 2HH2 ARG 71 -4.259 -14.085 5.161 554 H ILE 72 H ILE 72 -3.355 -9.975 1.976 555 HA ILE 72 HA ILE 72 -4.070 -8.223 -0.303 556 HB ILE 72 HB ILE 72 -2.566 -10.831 -0.419 557 HG12 ILE 72 2HG1 ILE 72 -1.330 -9.401 -2.201 558 HG13 ILE 72 1HG1 ILE 72 -2.171 -8.031 -1.479 559 HG21 ILE 72 1HG2 ILE 72 -4.245 -9.533 -2.572 560 HG22 ILE 72 2HG2 ILE 72 -4.396 -11.171 -1.939 561 HG23 ILE 72 3HG2 ILE 72 -2.994 -10.727 -2.912 562 HD11 ILE 72 1HD1 ILE 72 -0.524 -7.955 0.057 563 HD12 ILE 72 2HD1 ILE 72 0.139 -9.493 -0.493 564 HD13 ILE 72 3HD1 ILE 72 -1.151 -9.466 0.700 565 H LEU 73 H LEU 73 -5.852 -9.359 -1.684 566 HA LEU 73 HA LEU 73 -7.515 -11.057 0.139 567 HB2 LEU 73 2HB LEU 73 -8.237 -8.916 -1.828 568 HB3 LEU 73 1HB LEU 73 -9.399 -10.179 -1.447 569 HG LEU 73 HG LEU 73 -7.999 -8.812 0.817 570 HD11 LEU 73 1HD1 LEU 73 -10.450 -7.659 -0.536 571 HD12 LEU 73 2HD1 LEU 73 -8.823 -7.020 -0.761 572 HD13 LEU 73 3HD1 LEU 73 -9.567 -6.985 0.834 573 HD21 LEU 73 1HD2 LEU 73 -10.262 -9.201 1.852 574 HD22 LEU 73 2HD2 LEU 73 -9.473 -10.681 1.312 575 HD23 LEU 73 3HD2 LEU 73 -10.767 -9.970 0.348 576 H GLU 74 H GLU 74 -6.903 -10.421 -3.298 577 HA GLU 74 HA GLU 74 -6.429 -13.131 -4.026 578 HB2 GLU 74 2HB GLU 74 -8.888 -13.317 -3.468 579 HB3 GLU 74 1HB GLU 74 -9.209 -12.144 -4.745 580 HG2 GLU 74 2HG GLU 74 -8.124 -13.665 -6.383 581 HG3 GLU 74 1HG GLU 74 -7.882 -14.849 -5.098 582 H TRP 75 H TRP 75 -6.115 -13.302 -6.382 583 HA TRP 75 HA TRP 75 -5.730 -10.619 -7.618 584 HB2 TRP 75 2HB TRP 75 -4.088 -11.698 -9.058 585 HB3 TRP 75 1HB TRP 75 -3.737 -12.117 -7.379 586 HD1 TRP 75 HD TRP 75 -4.773 -14.553 -6.545 587 HE1 TRP 75 1HE TRP 75 -4.923 -16.764 -7.863 588 HE3 TRP 75 3HE TRP 75 -4.311 -12.775 -11.311 589 HZ2 TRP 75 2HZ TRP 75 -4.853 -17.661 -10.579 590 HZ3 TRP 75 3HZ TRP 75 -4.352 -14.329 -13.242 591 HH2 TRP 75 HH TRP 75 -4.623 -16.766 -12.882 592 H ASP 76 H ASP 76 -6.985 -10.064 -9.370 593 HA ASP 76 HA ASP 76 -8.905 -12.070 -10.346 594 HB2 ASP 76 2HB ASP 76 -9.233 -9.448 -9.822 595 HB3 ASP 76 1HB ASP 76 -8.846 -9.362 -11.539 596 HA PRO 77 HA PRO 77 -6.366 -13.380 -13.753 597 HB2 PRO 77 2HB PRO 77 -8.653 -13.417 -15.557 598 HB3 PRO 77 1HB PRO 77 -7.692 -14.756 -14.927 599 HG2 PRO 77 2HG PRO 77 -10.278 -13.911 -14.097 600 HG3 PRO 77 1HG PRO 77 -9.313 -15.262 -13.496 601 HD2 PRO 77 2HD PRO 77 -9.948 -12.900 -12.096 602 HD3 PRO 77 1HD PRO 77 -8.763 -14.126 -11.602 603 HA PRO 78 HA PRO 78 -7.475 -9.839 -16.900 604 HB2 PRO 78 2HB PRO 78 -8.913 -7.975 -15.068 605 HB3 PRO 78 1HB PRO 78 -9.249 -8.363 -16.765 606 HG2 PRO 78 2HG PRO 78 -10.802 -9.259 -14.798 607 HG3 PRO 78 1HG PRO 78 -10.458 -10.243 -16.232 608 HD2 PRO 78 2HD PRO 78 -9.317 -10.471 -13.472 609 HD3 PRO 78 1HD PRO 78 -9.748 -11.753 -14.617 610 H HIS 79 H HIS 79 -7.468 -7.035 -15.375 611 HA HIS 79 HA HIS 79 -4.733 -7.375 -14.247 612 HB2 HIS 79 2HB HIS 79 -4.748 -4.806 -14.984 613 HB3 HIS 79 1HB HIS 79 -4.322 -6.078 -16.124 614 HD1 HIS 79 1HD HIS 79 -7.746 -4.905 -14.888 615 HD2 HIS 79 2HD HIS 79 -5.694 -5.529 -18.466 616 HE1 HIS 79 1HE HIS 79 -9.403 -4.465 -16.748 617 HE2 HIS 79 2HE HIS 79 -8.165 -4.839 -18.932 618 H ARG 80 H ARG 80 -6.805 -7.902 -12.620 619 HA ARG 80 HA ARG 80 -7.035 -5.381 -11.025 620 HB2 ARG 80 2HB ARG 80 -9.164 -5.444 -11.999 621 HB3 ARG 80 1HB ARG 80 -9.249 -7.201 -11.938 622 HG2 ARG 80 2HG ARG 80 -9.567 -7.183 -9.554 623 HG3 ARG 80 1HG ARG 80 -9.186 -5.461 -9.460 624 HD2 ARG 80 2HD ARG 80 -11.570 -5.621 -9.364 625 HD3 ARG 80 1HD ARG 80 -11.183 -5.072 -10.992 626 HE ARG 80 HE ARG 80 -11.286 -7.840 -11.209 627 HH11 ARG 80 1HH1 ARG 80 -13.189 -8.934 -11.746 628 HH12 ARG 80 2HH1 ARG 80 -14.720 -8.191 -11.425 629 HH21 ARG 80 1HH2 ARG 80 -13.337 -5.314 -10.071 630 HH22 ARG 80 2HH2 ARG 80 -14.803 -6.141 -10.477 631 H LEU 81 H LEU 81 -6.630 -5.629 -8.927 632 HA LEU 81 HA LEU 81 -6.710 -8.370 -7.770 633 HB2 LEU 81 2HB LEU 81 -4.512 -6.336 -7.350 634 HB3 LEU 81 1HB LEU 81 -4.602 -7.925 -6.598 635 HG LEU 81 HG LEU 81 -4.884 -8.519 -9.271 636 HD11 LEU 81 1HD1 LEU 81 -2.883 -6.274 -8.950 637 HD12 LEU 81 2HD1 LEU 81 -4.355 -6.225 -9.916 638 HD13 LEU 81 3HD1 LEU 81 -3.032 -7.294 -10.381 639 HD21 LEU 81 1HD2 LEU 81 -2.415 -8.394 -7.519 640 HD22 LEU 81 2HD2 LEU 81 -2.464 -9.225 -9.074 641 HD23 LEU 81 3HD2 LEU 81 -3.487 -9.776 -7.748 642 H ALA 82 H ALA 82 -7.525 -8.432 -5.704 643 HA ALA 82 HA ALA 82 -8.344 -5.820 -4.503 644 HB1 ALA 82 1HB ALA 82 -9.353 -8.652 -4.037 645 HB2 ALA 82 2HB ALA 82 -10.224 -7.355 -4.856 646 HB3 ALA 82 3HB ALA 82 -9.897 -7.245 -3.126 647 H MET 83 H MET 83 -7.761 -5.529 -2.176 648 HA MET 83 HA MET 83 -5.924 -7.608 -1.169 649 HB2 MET 83 2HB MET 83 -4.070 -6.461 -1.696 650 HB3 MET 83 1HB MET 83 -5.061 -5.197 -2.409 651 HG2 MET 83 2HG MET 83 -5.296 -4.122 -0.194 652 HG3 MET 83 1HG MET 83 -4.296 -5.388 0.523 653 HE1 MET 83 1HE MET 83 -4.758 -2.579 -1.787 654 HE2 MET 83 2HE MET 83 -3.815 -3.386 -3.036 655 HE3 MET 83 3HE MET 83 -3.162 -1.962 -2.231 656 H THR 84 H THR 84 -5.778 -7.798 1.036 657 HA THR 84 HA THR 84 -7.457 -5.891 2.627 658 HB THR 84 HB THR 84 -6.598 -8.757 3.077 659 HG1 THR 84 1HG THR 84 -9.104 -7.462 3.300 660 HG21 THR 84 1HG2 THR 84 -7.749 -8.458 5.345 661 HG22 THR 84 2HG2 THR 84 -7.556 -6.724 5.094 662 HG23 THR 84 3HG2 THR 84 -6.135 -7.764 5.190 663 H TRP 85 H TRP 85 -6.439 -4.935 4.545 664 HA TRP 85 HA TRP 85 -3.468 -4.917 4.302 665 HB2 TRP 85 2HB TRP 85 -5.480 -2.995 5.440 666 HB3 TRP 85 1HB TRP 85 -3.783 -2.891 5.905 667 HD1 TRP 85 HD TRP 85 -4.346 -4.075 2.392 668 HE1 TRP 85 1HE TRP 85 -3.748 -2.201 0.734 669 HE3 TRP 85 3HE TRP 85 -3.853 -0.157 5.631 670 HZ2 TRP 85 2HZ TRP 85 -3.140 0.593 0.770 671 HZ3 TRP 85 3HZ TRP 85 -3.263 2.099 4.791 672 HH2 TRP 85 HH TRP 85 -2.907 2.478 2.367 673 H ARG 86 H ARG 86 -2.235 -5.944 5.790 674 HA ARG 86 HA ARG 86 -3.457 -6.553 8.457 675 HB2 ARG 86 2HB ARG 86 -2.895 -8.571 7.111 676 HB3 ARG 86 1HB ARG 86 -1.223 -8.026 7.023 677 HG2 ARG 86 2HG ARG 86 -1.099 -8.076 9.502 678 HG3 ARG 86 1HG ARG 86 -2.752 -8.683 9.556 679 HD2 ARG 86 2HD ARG 86 -2.027 -10.635 8.165 680 HD3 ARG 86 1HD ARG 86 -0.367 -10.053 8.285 681 HE ARG 86 HE ARG 86 -1.667 -10.397 10.881 682 HH11 ARG 86 1HH1 ARG 86 -0.803 -12.034 12.178 683 HH12 ARG 86 2HH1 ARG 86 0.265 -13.204 11.477 684 HH21 ARG 86 1HH2 ARG 86 0.115 -11.824 8.299 685 HH22 ARG 86 2HH2 ARG 86 0.784 -13.086 9.280 686 H ILE 87 H ILE 87 -2.721 -4.663 9.525 687 HA ILE 87 HA ILE 87 0.242 -4.528 9.866 688 HB ILE 87 HB ILE 87 -0.571 -2.738 8.283 689 HG12 ILE 87 2HG1 ILE 87 0.350 -1.476 10.862 690 HG13 ILE 87 1HG1 ILE 87 1.411 -2.578 9.983 691 HG21 ILE 87 1HG2 ILE 87 -1.769 -1.356 10.656 692 HG22 ILE 87 2HG2 ILE 87 -2.745 -2.543 9.791 693 HG23 ILE 87 3HG2 ILE 87 -2.114 -1.133 8.941 694 HD11 ILE 87 1HD1 ILE 87 0.072 -0.198 8.677 695 HD12 ILE 87 2HD1 ILE 87 1.374 -1.193 8.026 696 HD13 ILE 87 3HD1 ILE 87 1.682 -0.121 9.392 697 H ASP 88 H ASP 88 0.904 -3.743 11.949 698 HA ASP 88 HA ASP 88 -1.099 -4.233 14.046 699 HB2 ASP 88 2HB ASP 88 1.780 -3.385 14.366 700 HB3 ASP 88 1HB ASP 88 0.748 -4.116 15.591 701 H GLY 89 H GLY 89 -1.507 -2.656 15.751 702 HA2 GLY 89 2HA GLY 89 -2.098 -0.042 14.772 703 HA3 GLY 89 1HA GLY 89 -2.103 -0.502 16.477 704 H HIS 90 H HIS 90 0.578 -1.228 16.805 705 HA HIS 90 HA HIS 90 1.935 1.408 16.411 706 HB2 HIS 90 2HB HIS 90 1.608 -0.300 18.711 707 HB3 HIS 90 1HB HIS 90 3.323 -0.136 18.345 708 HD1 HIS 90 1HD HIS 90 1.006 1.437 20.405 709 HD2 HIS 90 2HD HIS 90 3.671 2.919 17.560 710 HE1 HIS 90 1HE HIS 90 1.352 3.888 20.956 711 HE2 HIS 90 2HE HIS 90 2.974 4.800 19.230 712 H TRP 91 H TRP 91 1.869 -0.810 14.457 713 HA TRP 91 HA TRP 91 3.360 -1.969 13.072 714 HB2 TRP 91 2HB TRP 91 5.327 -0.054 14.371 715 HB3 TRP 91 1HB TRP 91 5.694 -1.081 12.990 716 HD1 TRP 91 HD TRP 91 3.884 -0.734 10.846 717 HE1 TRP 91 1HE TRP 91 3.046 1.505 9.886 718 HE3 TRP 91 3HE TRP 91 4.792 2.338 14.806 719 HZ2 TRP 91 2HZ TRP 91 2.809 4.243 10.702 720 HZ3 TRP 91 3HZ TRP 91 4.265 4.748 14.699 721 HH2 TRP 91 HH TRP 91 3.269 5.707 12.645 722 H GLN 92 H GLN 92 2.844 -2.853 15.896 723 HA GLN 92 HA GLN 92 4.487 -5.144 15.960 724 HB2 GLN 92 2HB GLN 92 5.710 -4.395 18.195 725 HB3 GLN 92 1HB GLN 92 6.439 -4.102 16.617 726 HG2 GLN 92 2HG GLN 92 5.920 -1.847 16.643 727 HG3 GLN 92 1HG GLN 92 4.586 -2.052 17.785 728 HE21 GLN 92 1HE2 GLN 92 6.461 -0.076 18.381 729 HE22 GLN 92 2HE2 GLN 92 7.446 -0.571 19.671 730 H SER 93 H SER 93 1.947 -3.374 16.923 731 HA SER 93 HA SER 93 1.473 -4.075 19.629 732 HB2 SER 93 2HB SER 93 0.140 -2.498 18.077 733 HB3 SER 93 1HB SER 93 -0.707 -3.950 17.547 734 HG SER 93 HG SER 93 -1.742 -2.912 19.320 735 H VAL 94 H VAL 94 0.158 -5.724 16.721 736 HA VAL 94 HA VAL 94 0.446 -8.311 18.138 737 HB VAL 94 HB VAL 94 -2.033 -8.685 17.130 738 HG11 VAL 94 1HG1 VAL 94 -1.292 -7.464 19.805 739 HG12 VAL 94 2HG1 VAL 94 -1.396 -9.182 19.423 740 HG13 VAL 94 3HG1 VAL 94 -2.857 -8.195 19.451 741 HG21 VAL 94 1HG2 VAL 94 -2.250 -5.897 18.234 742 HG22 VAL 94 2HG2 VAL 94 -3.374 -6.772 17.195 743 HG23 VAL 94 3HG2 VAL 94 -1.877 -6.125 16.526 744 HA PRO 95 HA PRO 95 1.577 -9.918 14.198 745 HB2 PRO 95 2HB PRO 95 -0.111 -12.182 14.108 746 HB3 PRO 95 1HB PRO 95 1.531 -12.120 14.770 747 HG2 PRO 95 2HG PRO 95 -1.071 -12.038 16.166 748 HG3 PRO 95 1HG PRO 95 0.491 -12.667 16.713 749 HD2 PRO 95 2HD PRO 95 -0.529 -10.324 17.638 750 HD3 PRO 95 1HD PRO 95 1.221 -10.592 17.458 751 H ASP 96 H ASP 96 -1.850 -9.588 14.916 752 HA ASP 96 HA ASP 96 -2.305 -8.591 12.177 753 HB2 ASP 96 2HB ASP 96 -2.792 -11.118 12.245 754 HB3 ASP 96 1HB ASP 96 -4.149 -10.687 13.288 755 H ASP 97 H ASP 97 -4.097 -7.180 12.094 756 HA ASP 97 HA ASP 97 -5.165 -6.410 14.760 757 HB2 ASP 97 2HB ASP 97 -4.737 -4.877 12.201 758 HB3 ASP 97 1HB ASP 97 -5.766 -4.264 13.494 759 H ASP 98 H ASP 98 -7.222 -6.990 15.163 760 HA ASP 98 HA ASP 98 -8.969 -8.102 13.188 761 HB2 ASP 98 2HB ASP 98 -9.527 -6.901 15.910 762 HB3 ASP 98 1HB ASP 98 -10.734 -7.750 14.948 763 H ARG 99 H ARG 99 -8.017 -4.945 13.952 764 HA ARG 99 HA ARG 99 -10.422 -3.596 12.983 765 HB2 ARG 99 2HB ARG 99 -7.692 -2.362 13.355 766 HB3 ARG 99 1HB ARG 99 -9.270 -1.590 13.494 767 HG2 ARG 99 2HG ARG 99 -9.762 -2.906 15.507 768 HG3 ARG 99 1HG ARG 99 -8.207 -3.727 15.361 769 HD2 ARG 99 2HD ARG 99 -7.444 -2.080 16.728 770 HD3 ARG 99 1HD ARG 99 -7.443 -1.095 15.264 771 HE ARG 99 HE ARG 99 -9.165 0.154 16.259 772 HH11 ARG 99 1HH1 ARG 99 -10.893 0.482 17.678 773 HH12 ARG 99 2HH1 ARG 99 -11.450 -0.833 18.659 774 HH21 ARG 99 1HH2 ARG 99 -9.128 -3.091 17.423 775 HH22 ARG 99 2HH2 ARG 99 -10.452 -2.854 18.515 776 H ALA 100 H ALA 100 -8.854 -5.509 11.257 777 HA ALA 100 HA ALA 100 -7.659 -3.771 9.211 778 HB1 ALA 100 1HB ALA 100 -7.059 -5.802 8.081 779 HB2 ALA 100 2HB ALA 100 -8.233 -6.736 9.009 780 HB3 ALA 100 3HB ALA 100 -6.798 -6.087 9.802 781 H SER 101 H SER 101 -8.557 -3.286 7.237 782 HA SER 101 HA SER 101 -11.416 -4.067 6.830 783 HB2 SER 101 2HB SER 101 -9.976 -1.573 5.880 784 HB3 SER 101 1HB SER 101 -11.676 -1.944 5.617 785 HG SER 101 HG SER 101 -12.013 -1.113 7.507 786 H GLU 102 H GLU 102 -11.986 -3.913 4.358 787 HA GLU 102 HA GLU 102 -9.802 -5.324 2.888 788 HB2 GLU 102 2HB GLU 102 -12.795 -5.292 2.401 789 HB3 GLU 102 1HB GLU 102 -11.620 -6.204 1.454 790 HG2 GLU 102 2HG GLU 102 -10.932 -7.413 3.518 791 HG3 GLU 102 1HG GLU 102 -12.182 -6.548 4.415 792 H ILE 103 H ILE 103 -9.084 -4.541 0.938 793 HA ILE 103 HA ILE 103 -10.284 -1.966 -0.008 794 HB ILE 103 HB ILE 103 -7.388 -2.846 -0.186 795 HG12 ILE 103 2HG1 ILE 103 -8.663 -0.772 1.626 796 HG13 ILE 103 1HG1 ILE 103 -8.174 -2.385 2.147 797 HG21 ILE 103 1HG2 ILE 103 -8.844 -0.919 -1.627 798 HG22 ILE 103 2HG2 ILE 103 -7.088 -1.068 -1.537 799 HG23 ILE 103 3HG2 ILE 103 -7.943 -0.009 -0.415 800 HD11 ILE 103 1HD1 ILE 103 -6.533 -0.007 1.679 801 HD12 ILE 103 2HD1 ILE 103 -5.922 -1.429 0.834 802 HD13 ILE 103 3HD1 ILE 103 -6.151 -1.473 2.583 803 H GLU 104 H GLU 104 -10.670 -1.793 -2.209 804 HA GLU 104 HA GLU 104 -10.065 -4.226 -3.847 805 HB2 GLU 104 2HB GLU 104 -12.493 -3.693 -3.493 806 HB3 GLU 104 1HB GLU 104 -12.228 -2.152 -4.310 807 HG2 GLU 104 2HG GLU 104 -11.414 -3.392 -6.314 808 HG3 GLU 104 1HG GLU 104 -11.799 -4.908 -5.498 809 H VAL 105 H VAL 105 -8.676 -3.929 -5.537 810 HA VAL 105 HA VAL 105 -8.283 -1.153 -6.558 811 HB VAL 105 HB VAL 105 -6.093 -3.201 -6.120 812 HG11 VAL 105 1HG1 VAL 105 -5.773 -1.580 -8.001 813 HG12 VAL 105 2HG1 VAL 105 -4.594 -1.374 -6.706 814 HG13 VAL 105 3HG1 VAL 105 -5.954 -0.260 -6.845 815 HG21 VAL 105 1HG2 VAL 105 -7.286 -1.138 -4.381 816 HG22 VAL 105 2HG2 VAL 105 -5.531 -1.042 -4.518 817 HG23 VAL 105 3HG2 VAL 105 -6.290 -2.530 -3.954 818 H ASP 106 H ASP 106 -8.297 -1.008 -8.774 819 HA ASP 106 HA ASP 106 -8.229 -3.583 -10.305 820 HB2 ASP 106 2HB ASP 106 -9.776 -1.047 -10.923 821 HB3 ASP 106 1HB ASP 106 -9.746 -2.498 -11.930 822 H PHE 107 H PHE 107 -6.689 -3.687 -11.910 823 HA PHE 107 HA PHE 107 -5.290 -1.147 -12.600 824 HB2 PHE 107 2HB PHE 107 -4.217 -3.987 -12.639 825 HB3 PHE 107 1HB PHE 107 -3.341 -2.557 -13.145 826 HD1 PHE 107 1HD PHE 107 -2.175 -1.232 -11.591 827 HD2 PHE 107 2HD PHE 107 -5.079 -4.079 -10.215 828 HE1 PHE 107 1HE PHE 107 -1.435 -0.854 -9.253 829 HE2 PHE 107 2HE PHE 107 -4.341 -3.704 -7.876 830 HZ PHE 107 HZ PHE 107 -2.511 -2.095 -7.395 831 H VAL 108 H VAL 108 -5.047 -0.636 -14.737 832 HA VAL 108 HA VAL 108 -6.041 -2.561 -16.776 833 HB VAL 108 HB VAL 108 -6.633 0.311 -17.217 834 HG11 VAL 108 1HG1 VAL 108 -7.244 -1.442 -18.836 835 HG12 VAL 108 2HG1 VAL 108 -8.686 -0.668 -18.179 836 HG13 VAL 108 3HG1 VAL 108 -8.196 -2.259 -17.597 837 HG21 VAL 108 1HG2 VAL 108 -8.720 0.131 -15.851 838 HG22 VAL 108 2HG2 VAL 108 -7.258 0.098 -14.865 839 HG23 VAL 108 3HG2 VAL 108 -8.127 -1.400 -15.205 840 HA PRO 109 HA PRO 109 -2.069 -1.065 -18.360 841 HB2 PRO 109 2HB PRO 109 -1.864 -2.701 -20.512 842 HB3 PRO 109 1HB PRO 109 -1.585 -3.271 -18.854 843 HG2 PRO 109 2HG PRO 109 -3.977 -3.591 -20.585 844 HG3 PRO 109 1HG PRO 109 -3.230 -4.740 -19.467 845 HD2 PRO 109 2HD PRO 109 -5.476 -3.260 -18.863 846 HD3 PRO 109 1HD PRO 109 -4.350 -3.893 -17.638 847 H ASN 110 H ASN 110 -1.972 0.834 -19.421 848 HA ASN 110 HA ASN 110 -3.619 1.171 -21.875 849 HB2 ASN 110 2HB ASN 110 -4.139 2.689 -19.919 850 HB3 ASN 110 1HB ASN 110 -2.527 3.372 -20.125 851 HD21 ASN 110 1HD2 ASN 110 -4.393 5.253 -20.500 852 HD22 ASN 110 2HD2 ASN 110 -4.703 5.552 -22.142 853 H GLY 111 H GLY 111 -2.480 1.359 -23.741 854 HA2 GLY 111 2HA GLY 111 -0.615 1.534 -25.159 855 HA3 GLY 111 1HA GLY 111 -0.149 2.882 -24.123 856 H SER 112 H SER 112 1.890 1.438 -25.133 857 HA SER 112 HA SER 112 2.689 -0.833 -23.572 858 HB2 SER 112 2HB SER 112 4.886 -0.492 -24.535 859 HB3 SER 112 1HB SER 112 3.692 -0.143 -25.782 860 HG SER 112 HG SER 112 4.416 1.821 -25.833 861 H GLY 113 H GLY 113 2.676 2.578 -22.950 862 HA2 GLY 113 2HA GLY 113 4.029 2.044 -20.345 863 HA3 GLY 113 1HA GLY 113 4.523 3.430 -21.322 864 H GLY 114 H GLY 114 1.242 2.155 -20.631 865 HA2 GLY 114 2HA GLY 114 0.658 4.711 -19.215 866 HA3 GLY 114 1HA GLY 114 -0.429 4.149 -20.482 867 H THR 115 H THR 115 -0.438 4.353 -17.304 868 HA THR 115 HA THR 115 -1.752 1.691 -16.953 869 HB THR 115 HB THR 115 -0.726 2.669 -14.449 870 HG1 THR 115 1HG THR 115 0.879 3.040 -16.617 871 HG21 THR 115 1HG2 THR 115 -1.068 0.372 -14.545 872 HG22 THR 115 2HG2 THR 115 0.676 0.471 -14.762 873 HG23 THR 115 3HG2 THR 115 -0.367 0.214 -16.154 874 H ARG 116 H ARG 116 -3.669 1.712 -15.891 875 HA ARG 116 HA ARG 116 -4.569 4.296 -14.684 876 HB2 ARG 116 2HB ARG 116 -5.695 3.826 -16.870 877 HB3 ARG 116 1HB ARG 116 -6.309 2.320 -16.178 878 HG2 ARG 116 2HG ARG 116 -7.566 3.492 -14.511 879 HG3 ARG 116 1HG ARG 116 -6.768 5.019 -14.892 880 HD2 ARG 116 2HD ARG 116 -7.762 5.003 -17.122 881 HD3 ARG 116 1HD ARG 116 -8.545 3.462 -16.780 882 HE ARG 116 HE ARG 116 -10.207 4.662 -15.623 883 HH11 ARG 116 1HH1 ARG 116 -11.071 6.506 -14.645 884 HH12 ARG 116 2HH1 ARG 116 -10.069 7.901 -14.419 885 HH21 ARG 116 1HH2 ARG 116 -7.264 6.446 -15.847 886 HH22 ARG 116 2HH2 ARG 116 -7.915 7.867 -15.100 887 H VAL 117 H VAL 117 -4.826 3.945 -12.519 888 HA VAL 117 HA VAL 117 -5.710 1.216 -11.660 889 HB VAL 117 HB VAL 117 -3.823 3.096 -10.222 890 HG11 VAL 117 1HG1 VAL 117 -4.803 0.298 -9.570 891 HG12 VAL 117 2HG1 VAL 117 -5.188 1.769 -8.676 892 HG13 VAL 117 3HG1 VAL 117 -3.534 1.153 -8.691 893 HG21 VAL 117 1HG2 VAL 117 -3.465 0.800 -12.084 894 HG22 VAL 117 2HG2 VAL 117 -2.413 0.838 -10.670 895 HG23 VAL 117 3HG2 VAL 117 -2.418 2.191 -11.801 896 H GLU 118 H GLU 118 -7.338 1.100 -10.209 897 HA GLU 118 HA GLU 118 -8.412 3.681 -9.137 898 HB2 GLU 118 2HB GLU 118 -9.931 1.158 -9.885 899 HB3 GLU 118 1HB GLU 118 -10.646 2.616 -9.195 900 HG2 GLU 118 2HG GLU 118 -9.843 3.912 -11.156 901 HG3 GLU 118 1HG GLU 118 -9.205 2.425 -11.857 902 H LEU 119 H LEU 119 -7.589 3.646 -7.058 903 HA LEU 119 HA LEU 119 -7.798 1.097 -5.537 904 HB2 LEU 119 2HB LEU 119 -5.583 2.302 -5.678 905 HB3 LEU 119 1HB LEU 119 -6.313 3.623 -4.774 906 HG LEU 119 HG LEU 119 -6.650 0.914 -3.599 907 HD11 LEU 119 1HD1 LEU 119 -3.985 2.363 -3.535 908 HD12 LEU 119 2HD1 LEU 119 -4.299 0.881 -4.436 909 HD13 LEU 119 3HD1 LEU 119 -4.387 0.878 -2.676 910 HD21 LEU 119 1HD2 LEU 119 -5.555 3.319 -2.187 911 HD22 LEU 119 2HD2 LEU 119 -6.693 2.103 -1.607 912 HD23 LEU 119 3HD2 LEU 119 -7.237 3.363 -2.713 913 H ALA 120 H ALA 120 -9.382 0.909 -4.043 914 HA ALA 120 HA ALA 120 -10.526 3.411 -2.876 915 HB1 ALA 120 1HB ALA 120 -12.371 1.123 -3.251 916 HB2 ALA 120 2HB ALA 120 -11.872 1.946 -4.729 917 HB3 ALA 120 3HB ALA 120 -12.668 2.850 -3.441 918 H HIS 121 H HIS 121 -10.077 3.306 -0.726 919 HA HIS 121 HA HIS 121 -10.115 0.622 0.584 920 HB2 HIS 121 2HB HIS 121 -8.617 1.456 2.209 921 HB3 HIS 121 1HB HIS 121 -8.024 2.143 0.700 922 HD1 HIS 121 1HD HIS 121 -9.872 3.077 3.856 923 HD2 HIS 121 2HD HIS 121 -8.270 4.954 0.492 924 HE1 HIS 121 1HE HIS 121 -9.889 5.568 4.345 925 HE2 HIS 121 2HE HIS 121 -8.928 6.715 2.299 926 H VAL 122 H VAL 122 -11.635 0.252 2.181 927 HA VAL 122 HA VAL 122 -13.304 2.593 2.996 928 HB VAL 122 HB VAL 122 -15.287 1.092 2.828 929 HG11 VAL 122 1HG1 VAL 122 -15.556 1.932 0.753 930 HG12 VAL 122 2HG1 VAL 122 -14.334 0.840 0.102 931 HG13 VAL 122 3HG1 VAL 122 -13.856 2.395 0.785 932 HG21 VAL 122 1HG2 VAL 122 -14.891 -1.128 2.676 933 HG22 VAL 122 2HG2 VAL 122 -13.173 -0.848 2.391 934 HG23 VAL 122 3HG2 VAL 122 -14.303 -0.856 1.036 935 H LYS 123 H LYS 123 -14.354 2.439 4.978 936 HA LYS 123 HA LYS 123 -14.547 1.924 7.238 937 HB2 LYS 123 2HB LYS 123 -13.902 -0.925 6.519 938 HB3 LYS 123 1HB LYS 123 -15.030 -0.318 7.731 939 HG2 LYS 123 2HG LYS 123 -15.351 -0.207 4.718 940 HG3 LYS 123 1HG LYS 123 -16.336 -1.113 5.861 941 HD2 LYS 123 2HD LYS 123 -17.074 1.031 6.890 942 HD3 LYS 123 1HD LYS 123 -16.148 1.911 5.672 943 HE2 LYS 123 2HE LYS 123 -17.780 1.673 4.157 944 HE3 LYS 123 1HE LYS 123 -17.817 -0.074 4.402 945 HZ1 LYS 123 1HZ LYS 123 -19.627 1.890 5.332 946 HZ2 LYS 123 2HZ LYS 123 -18.960 1.054 6.653 947 HZ3 LYS 123 3HZ LYS 123 -19.752 0.201 5.415 948 H LEU 124 H LEU 124 -11.830 2.627 6.260 949 HA LEU 124 HA LEU 124 -9.966 0.911 7.668 950 HB2 LEU 124 2HB LEU 124 -9.824 3.614 6.378 951 HB3 LEU 124 1HB LEU 124 -8.565 3.173 7.531 952 HG LEU 124 HG LEU 124 -9.344 1.535 5.096 953 HD11 LEU 124 1HD1 LEU 124 -7.655 2.565 3.932 954 HD12 LEU 124 2HD1 LEU 124 -6.662 2.780 5.372 955 HD13 LEU 124 3HD1 LEU 124 -7.991 3.889 5.045 956 HD21 LEU 124 1HD2 LEU 124 -8.287 -0.103 6.265 957 HD22 LEU 124 2HD2 LEU 124 -7.691 1.037 7.471 958 HD23 LEU 124 3HD2 LEU 124 -6.808 0.805 5.963 959 H HIS 125 H HIS 125 -11.666 3.930 8.382 960 HA HIS 125 HA HIS 125 -10.551 4.716 10.783 961 HB2 HIS 125 2HB HIS 125 -12.362 5.996 9.893 962 HB3 HIS 125 1HB HIS 125 -13.458 4.619 9.988 963 HD1 HIS 125 1HD HIS 125 -11.106 6.049 12.631 964 HD2 HIS 125 2HD HIS 125 -15.163 5.253 12.077 965 HE1 HIS 125 1HE HIS 125 -12.249 6.582 14.829 966 HE2 HIS 125 2HE HIS 125 -14.718 6.102 14.503 967 H ARG 126 H ARG 126 -11.913 1.695 10.162 968 HA ARG 126 HA ARG 126 -13.113 0.947 12.562 969 HB2 ARG 126 2HB ARG 126 -12.940 -0.541 10.608 970 HB3 ARG 126 1HB ARG 126 -11.203 -0.663 10.853 971 HG2 ARG 126 2HG ARG 126 -12.126 -2.642 11.806 972 HG3 ARG 126 1HG ARG 126 -11.733 -1.607 13.175 973 HD2 ARG 126 2HD ARG 126 -14.056 -0.881 13.335 974 HD3 ARG 126 1HD ARG 126 -14.473 -1.809 11.894 975 HE ARG 126 HE ARG 126 -13.311 -3.589 13.782 976 HH11 ARG 126 1HH1 ARG 126 -14.669 -4.890 15.035 977 HH12 ARG 126 2HH1 ARG 126 -16.327 -4.436 15.250 978 HH21 ARG 126 1HH2 ARG 126 -16.066 -1.566 13.321 979 HH22 ARG 126 2HH2 ARG 126 -17.118 -2.554 14.279 980 H HIS 127 H HIS 127 -9.665 1.401 11.861 981 HA HIS 127 HA HIS 127 -8.954 0.401 14.531 982 HB2 HIS 127 2HB HIS 127 -6.614 1.161 13.834 983 HB3 HIS 127 1HB HIS 127 -7.321 -0.149 12.901 984 HD1 HIS 127 1HD HIS 127 -9.101 2.741 11.890 985 HD2 HIS 127 2HD HIS 127 -5.305 1.256 11.022 986 HE1 HIS 127 1HE HIS 127 -8.369 3.849 9.739 987 HE2 HIS 127 2HE HIS 127 -6.056 2.962 9.201 988 H GLY 128 H GLY 128 -9.228 3.531 12.916 989 HA2 GLY 128 2HA GLY 128 -8.753 5.706 13.778 990 HA3 GLY 128 1HA GLY 128 -9.890 5.140 15.002 991 H ASP 129 H ASP 129 -8.749 6.396 16.625 992 HA ASP 129 HA ASP 129 -7.135 6.707 18.306 993 HB2 ASP 129 2HB ASP 129 -6.810 3.741 17.770 994 HB3 ASP 129 1HB ASP 129 -6.129 4.583 19.162 995 H GLY 130 H GLY 130 -6.108 7.672 15.994 996 HA2 GLY 130 2HA GLY 130 -3.941 8.331 15.263 997 HA3 GLY 130 1HA GLY 130 -3.247 7.072 16.294 998 H ALA 131 H ALA 131 -5.837 6.428 14.061 999 HA ALA 131 HA ALA 131 -4.623 4.185 12.848 1000 HB1 ALA 131 1HB ALA 131 -6.934 5.955 12.306 1001 HB2 ALA 131 2HB ALA 131 -6.848 4.198 12.378 1002 HB3 ALA 131 3HB ALA 131 -6.323 5.050 10.923 1003 H TRP 132 H TRP 132 -4.880 7.552 11.619 1004 HA TRP 132 HA TRP 132 -3.455 7.111 9.207 1005 HB2 TRP 132 2HB TRP 132 -4.726 9.202 9.774 1006 HB3 TRP 132 1HB TRP 132 -3.403 9.658 10.853 1007 HD1 TRP 132 HD TRP 132 -1.044 10.215 9.733 1008 HE1 TRP 132 1HE TRP 132 -0.417 10.959 7.348 1009 HE3 TRP 132 3HE TRP 132 -5.357 9.013 7.261 1010 HZ2 TRP 132 2HZ TRP 132 -1.586 11.035 4.746 1011 HZ3 TRP 132 3HZ TRP 132 -5.568 9.438 4.833 1012 HH2 TRP 132 HH TRP 132 -3.690 10.450 3.571 1013 H ASN 133 H ASN 133 -2.331 7.554 12.510 1014 HA ASN 133 HA ASN 133 0.396 8.154 12.018 1015 HB2 ASN 133 2HB ASN 133 -0.827 7.919 14.278 1016 HB3 ASN 133 1HB ASN 133 -0.524 6.190 14.126 1017 HD21 ASN 133 1HD2 ASN 133 0.869 6.578 16.141 1018 HD22 ASN 133 2HD2 ASN 133 2.463 7.112 15.911 1019 H ILE 134 H ILE 134 -1.324 5.069 12.106 1020 HA ILE 134 HA ILE 134 0.868 3.341 11.584 1021 HB ILE 134 HB ILE 134 -2.024 3.098 10.721 1022 HG12 ILE 134 2HG1 ILE 134 -0.644 1.965 13.170 1023 HG13 ILE 134 1HG1 ILE 134 -1.598 3.452 13.190 1024 HG21 ILE 134 1HG2 ILE 134 -1.401 1.163 9.772 1025 HG22 ILE 134 2HG2 ILE 134 -0.785 0.610 11.329 1026 HG23 ILE 134 3HG2 ILE 134 0.274 1.479 10.218 1027 HD11 ILE 134 1HD1 ILE 134 -3.479 2.037 12.135 1028 HD12 ILE 134 2HD1 ILE 134 -3.132 1.770 13.842 1029 HD13 ILE 134 3HD1 ILE 134 -2.532 0.636 12.631 1030 H HIS 135 H HIS 135 -1.351 5.130 9.495 1031 HA HIS 135 HA HIS 135 -0.354 4.210 6.980 1032 HB2 HIS 135 2HB HIS 135 -2.508 5.332 7.126 1033 HB3 HIS 135 1HB HIS 135 -1.742 6.796 7.737 1034 HD1 HIS 135 1HD HIS 135 0.426 5.423 5.248 1035 HD2 HIS 135 2HD HIS 135 -3.027 7.749 5.153 1036 HE1 HIS 135 1HE HIS 135 0.354 6.471 2.950 1037 HE2 HIS 135 2HE HIS 135 -1.755 7.892 2.870 1038 H LYS 136 H LYS 136 0.681 6.813 9.149 1039 HA LYS 136 HA LYS 136 2.350 8.241 7.387 1040 HB2 LYS 136 2HB LYS 136 2.793 7.580 10.300 1041 HB3 LYS 136 1HB LYS 136 3.750 8.740 9.403 1042 HG2 LYS 136 2HG LYS 136 1.668 9.989 8.874 1043 HG3 LYS 136 1HG LYS 136 0.777 8.865 9.891 1044 HD2 LYS 136 2HD LYS 136 2.240 9.494 11.811 1045 HD3 LYS 136 1HD LYS 136 3.020 10.696 10.781 1046 HE2 LYS 136 2HE LYS 136 1.352 11.903 11.970 1047 HE3 LYS 136 1HE LYS 136 0.664 11.633 10.369 1048 HZ1 LYS 136 1HZ LYS 136 -0.979 11.079 11.970 1049 HZ2 LYS 136 2HZ LYS 136 0.102 10.106 12.848 1050 HZ3 LYS 136 3HZ LYS 136 -0.422 9.621 11.307 1051 H ALA 137 H ALA 137 2.937 5.191 9.096 1052 HA ALA 137 HA ALA 137 5.697 4.956 8.277 1053 HB1 ALA 137 1HB ALA 137 3.605 2.946 9.066 1054 HB2 ALA 137 2HB ALA 137 5.085 3.393 9.919 1055 HB3 ALA 137 3HB ALA 137 5.169 2.415 8.457 1056 H LEU 138 H LEU 138 2.623 3.912 6.842 1057 HA LEU 138 HA LEU 138 3.806 2.733 4.494 1058 HB2 LEU 138 2HB LEU 138 1.041 3.882 4.974 1059 HB3 LEU 138 1HB LEU 138 1.506 2.987 3.531 1060 HG LEU 138 HG LEU 138 1.666 1.915 6.361 1061 HD11 LEU 138 1HD1 LEU 138 -0.656 2.127 5.722 1062 HD12 LEU 138 2HD1 LEU 138 -0.208 0.430 5.547 1063 HD13 LEU 138 3HD1 LEU 138 -0.326 1.463 4.121 1064 HD21 LEU 138 1HD2 LEU 138 2.581 0.977 3.702 1065 HD22 LEU 138 2HD2 LEU 138 1.726 -0.223 4.669 1066 HD23 LEU 138 3HD2 LEU 138 3.175 0.555 5.308 1067 H ASP 139 H ASP 139 3.376 5.929 5.594 1068 HA ASP 139 HA ASP 139 4.292 7.888 4.620 1069 HB2 ASP 139 2HB ASP 139 5.442 6.082 3.038 1070 HB3 ASP 139 1HB ASP 139 4.298 6.744 1.877 1071 H GLY 140 H GLY 140 2.264 8.862 5.013 1072 HA2 GLY 140 2HA GLY 140 0.414 8.933 2.670 1073 HA3 GLY 140 1HA GLY 140 -0.115 9.145 4.338 1074 HA PRO 141 HA PRO 141 2.200 13.168 3.106 1075 HB2 PRO 141 2HB PRO 141 2.663 13.610 0.472 1076 HB3 PRO 141 1HB PRO 141 3.788 12.697 1.495 1077 HG2 PRO 141 2HG PRO 141 1.816 11.719 -0.493 1078 HG3 PRO 141 1HG PRO 141 3.424 11.095 -0.091 1079 HD2 PRO 141 2HD PRO 141 1.023 10.014 0.813 1080 HD3 PRO 141 1HD PRO 141 2.607 9.742 1.572 1081 H SER 142 H SER 142 1.068 15.108 2.869 1082 HA SER 142 HA SER 142 -1.686 14.912 1.900 1083 HB2 SER 142 2HB SER 142 -0.783 17.609 2.501 1084 HB3 SER 142 1HB SER 142 -2.037 16.651 3.285 1085 HG SER 142 HG SER 142 -0.518 15.749 4.598 1086 HA PRO 143 HA PRO 143 0.238 18.158 -1.215 1087 HB2 PRO 143 2HB PRO 143 3.013 17.170 -1.406 1088 HB3 PRO 143 1HB PRO 143 2.418 18.832 -1.229 1089 HG2 PRO 143 2HG PRO 143 3.655 17.511 0.760 1090 HG3 PRO 143 1HG PRO 143 2.393 18.721 1.049 1091 HD2 PRO 143 2HD PRO 143 2.210 15.736 1.192 1092 HD3 PRO 143 1HD PRO 143 1.389 16.967 2.177 1093 H GLY 144 H GLY 144 2.444 15.371 -1.632 1094 HA2 GLY 144 2HA GLY 144 1.258 14.898 -4.287 1095 HA3 GLY 144 1HA GLY 144 2.710 14.124 -3.649 1096 H GLU 145 H GLU 145 1.213 12.331 -4.750 1097 HA GLU 145 HA GLU 145 -0.383 11.086 -2.558 1098 HB2 GLU 145 2HB GLU 145 -0.799 10.834 -5.542 1099 HB3 GLU 145 1HB GLU 145 -1.742 10.004 -4.308 1100 HG2 GLU 145 2HG GLU 145 -1.517 13.015 -4.592 1101 HG3 GLU 145 1HG GLU 145 -2.890 12.048 -5.130 1102 H THR 146 H THR 146 -0.398 8.636 -2.745 1103 HA THR 146 HA THR 146 2.238 7.596 -2.769 1104 HB THR 146 HB THR 146 -0.414 6.199 -3.131 1105 HG1 THR 146 1HG THR 146 -0.366 6.000 -0.995 1106 HG21 THR 146 1HG2 THR 146 2.364 5.104 -2.672 1107 HG22 THR 146 2HG2 THR 146 1.275 4.746 -4.014 1108 HG23 THR 146 3HG2 THR 146 0.895 4.169 -2.390 1109 H LEU 147 H LEU 147 -0.207 7.752 -5.306 1110 HA LEU 147 HA LEU 147 1.201 6.116 -7.187 1111 HB2 LEU 147 2HB LEU 147 -0.814 8.328 -7.666 1112 HB3 LEU 147 1HB LEU 147 -0.296 7.136 -8.853 1113 HG LEU 147 HG LEU 147 -0.971 5.401 -6.977 1114 HD11 LEU 147 1HD1 LEU 147 -3.296 6.871 -6.253 1115 HD12 LEU 147 2HD1 LEU 147 -1.913 7.883 -5.849 1116 HD13 LEU 147 3HD1 LEU 147 -2.034 6.256 -5.190 1117 HD21 LEU 147 1HD2 LEU 147 -3.454 5.779 -7.946 1118 HD22 LEU 147 2HD2 LEU 147 -2.146 5.128 -8.937 1119 HD23 LEU 147 3HD2 LEU 147 -2.567 6.833 -9.043 1120 H ALA 148 H ALA 148 1.393 9.508 -6.312 1121 HA ALA 148 HA ALA 148 2.789 10.449 -8.618 1122 HB1 ALA 148 1HB ALA 148 2.649 12.423 -7.554 1123 HB2 ALA 148 2HB ALA 148 3.555 11.811 -6.168 1124 HB3 ALA 148 3HB ALA 148 1.811 11.561 -6.263 1125 H ARG 149 H ARG 149 4.077 9.270 -5.488 1126 HA ARG 149 HA ARG 149 6.797 9.830 -6.250 1127 HB2 ARG 149 2HB ARG 149 7.147 7.979 -4.324 1128 HB3 ARG 149 1HB ARG 149 6.754 9.661 -3.978 1129 HG2 ARG 149 2HG ARG 149 4.590 9.175 -3.375 1130 HG3 ARG 149 1HG ARG 149 4.476 7.825 -4.499 1131 HD2 ARG 149 2HD ARG 149 4.501 6.984 -2.202 1132 HD3 ARG 149 1HD ARG 149 5.969 6.491 -3.045 1133 HE ARG 149 HE ARG 149 6.164 8.988 -1.484 1134 HH11 ARG 149 1HH1 ARG 149 7.732 8.931 0.140 1135 HH12 ARG 149 2HH1 ARG 149 8.453 7.418 0.578 1136 HH21 ARG 149 1HH2 ARG 149 6.626 5.574 -1.717 1137 HH22 ARG 149 2HH2 ARG 149 7.829 5.521 -0.474 1138 H PHE 150 H PHE 150 5.071 6.672 -6.021 1139 HA PHE 150 HA PHE 150 7.304 5.223 -7.103 1140 HB2 PHE 150 2HB PHE 150 6.032 3.386 -6.735 1141 HB3 PHE 150 1HB PHE 150 4.930 4.507 -5.932 1142 HD1 PHE 150 1HD PHE 150 3.364 5.836 -7.669 1143 HD2 PHE 150 2HD PHE 150 5.137 1.992 -8.338 1144 HE1 PHE 150 1HE PHE 150 1.610 5.325 -9.350 1145 HE2 PHE 150 2HE PHE 150 3.396 1.477 -10.024 1146 HZ PHE 150 HZ PHE 150 1.637 3.142 -10.527 1147 H ALA 151 H ALA 151 4.540 6.811 -8.628 1148 HA ALA 151 HA ALA 151 4.916 5.649 -11.229 1149 HB1 ALA 151 1HB ALA 151 3.729 8.327 -10.461 1150 HB2 ALA 151 2HB ALA 151 2.839 6.807 -10.595 1151 HB3 ALA 151 3HB ALA 151 3.551 7.545 -12.030 1152 H ASN 152 H ASN 152 6.076 8.679 -9.783 1153 HA ASN 152 HA ASN 152 7.386 9.688 -12.089 1154 HB2 ASN 152 2HB ASN 152 8.110 11.332 -10.708 1155 HB3 ASN 152 1HB ASN 152 7.085 10.553 -9.502 1156 HD21 ASN 152 1HD2 ASN 152 8.116 9.175 -7.906 1157 HD22 ASN 152 2HD2 ASN 152 9.796 9.208 -7.661 1158 H VAL 153 H VAL 153 8.543 7.435 -9.592 1159 HA VAL 153 HA VAL 153 11.231 7.252 -10.601 1160 HB VAL 153 HB VAL 153 9.667 5.070 -9.213 1161 HG11 VAL 153 1HG1 VAL 153 11.612 3.956 -9.267 1162 HG12 VAL 153 2HG1 VAL 153 12.408 5.293 -8.439 1163 HG13 VAL 153 3HG1 VAL 153 12.328 5.269 -10.200 1164 HG21 VAL 153 1HG2 VAL 153 11.237 6.375 -7.327 1165 HG22 VAL 153 2HG2 VAL 153 9.487 6.518 -7.498 1166 HG23 VAL 153 3HG2 VAL 153 10.549 7.687 -8.281 1167 H ILE 154 H ILE 154 8.251 5.495 -11.252 1168 HA ILE 154 HA ILE 154 9.454 3.669 -13.150 1169 HB ILE 154 HB ILE 154 6.585 4.426 -12.588 1170 HG12 ILE 154 2HG1 ILE 154 8.198 1.989 -11.812 1171 HG13 ILE 154 1HG1 ILE 154 7.850 3.337 -10.735 1172 HG21 ILE 154 1HG2 ILE 154 6.573 1.926 -13.722 1173 HG22 ILE 154 2HG2 ILE 154 7.838 2.738 -14.640 1174 HG23 ILE 154 3HG2 ILE 154 6.214 3.420 -14.583 1175 HD11 ILE 154 1HD1 ILE 154 5.688 1.746 -12.129 1176 HD12 ILE 154 2HD1 ILE 154 5.489 2.927 -10.837 1177 HD13 ILE 154 3HD1 ILE 154 6.264 1.378 -10.503 1178 HBB 96F 201 HBB SUM 155 -2.981 11.253 -0.258 1179 HBC 96F 201 HBC SUM 155 -1.237 11.584 -0.395 1180 HBA 96F 201 HBA SUM 155 -1.994 11.444 1.210 1181 HA2 96F 201 2HA SUM 155 -1.346 9.269 1.171 1182 HA1 96F 201 1HA SUM 155 -0.965 9.341 -0.564 1183 HAY 96F 201 HAY SUM 155 -4.641 8.037 1.053 1184 HAZ 96F 201 HAZ SUM 155 -4.521 9.814 1.022 1185 HA0 96F 201 0HA SUM 155 -3.375 8.864 1.996 1186 HBE 96F 201 HBE SUM 155 -3.310 8.907 -2.097 1187 H1 96F 201 HAV SUM 155 -2.755 7.364 -2.650 1188 HAS 96F 201 HAS SUM 155 -4.859 6.647 -3.351 1189 HAT 96F 201 HAT SUM 155 -5.804 5.150 -3.161 1190 HAU 96F 201 HAU SUM 155 -5.724 5.955 -4.745 1191 HAK 96F 201 HAK SUM 155 -4.677 4.634 -6.193 1192 HAF 96F 201 HAF SUM 155 -1.952 2.512 -9.549 1193 HAE 96F 201 HAE SUM 155 0.120 1.318 -10.191 1194 HAD 96F 201 HAD SUM 155 1.904 0.931 -8.505 1195 HAR 96F 201 HAR SUM 155 2.572 1.334 -6.366 1196 HAQ 96F 201 HAQ SUM 155 -1.901 3.111 -1.910 Start of MODEL 13 1 H MET 1 1HT MET 1 -3.932 12.493 5.524 2 HA MET 1 HA MET 1 -2.848 13.162 7.444 3 HB2 MET 1 2HB MET 1 -4.345 15.080 5.913 4 HB3 MET 1 1HB MET 1 -4.236 15.634 7.584 5 HG2 MET 1 2HG MET 1 -1.791 15.300 7.540 6 HG3 MET 1 1HG MET 1 -1.897 14.744 5.871 7 HE1 MET 1 1HE MET 1 0.047 16.479 6.035 8 HE2 MET 1 2HE MET 1 -0.327 17.568 7.368 9 HE3 MET 1 3HE MET 1 -0.160 18.209 5.736 10 HA PRO 2 HA PRO 2 -6.497 14.344 10.519 11 HB2 PRO 2 2HB PRO 2 -8.611 12.578 9.441 12 HB3 PRO 2 1HB PRO 2 -8.724 14.251 10.020 13 HG2 PRO 2 2HG PRO 2 -8.882 13.598 7.418 14 HG3 PRO 2 1HG PRO 2 -8.200 15.132 7.986 15 HD2 PRO 2 2HD PRO 2 -6.797 12.718 6.932 16 HD3 PRO 2 1HD PRO 2 -6.343 14.435 6.807 17 H GLU 3 H GLU 3 -6.845 13.108 12.418 18 HA GLU 3 HA GLU 3 -5.426 10.649 12.666 19 HB2 GLU 3 2HB GLU 3 -7.579 11.860 14.430 20 HB3 GLU 3 1HB GLU 3 -6.548 10.508 14.890 21 HG2 GLU 3 2HG GLU 3 -4.546 11.938 14.538 22 HG3 GLU 3 1HG GLU 3 -5.609 13.296 14.162 23 H GLU 4 H GLU 4 -8.720 11.386 11.782 24 HA GLU 4 HA GLU 4 -9.539 8.551 12.044 25 HB2 GLU 4 2HB GLU 4 -11.062 10.419 12.746 26 HB3 GLU 4 1HB GLU 4 -11.136 10.913 11.057 27 HG2 GLU 4 2HG GLU 4 -11.986 8.652 10.456 28 HG3 GLU 4 1HG GLU 4 -11.993 8.227 12.171 29 H ILE 5 H ILE 5 -9.996 7.254 10.255 30 HA ILE 5 HA ILE 5 -9.274 8.407 7.593 31 HB ILE 5 HB ILE 5 -9.075 5.496 7.854 32 HG12 ILE 5 2HG1 ILE 5 -8.370 6.191 10.139 33 HG13 ILE 5 1HG1 ILE 5 -7.067 5.468 9.210 34 HG21 ILE 5 1HG2 ILE 5 -8.237 6.684 5.922 35 HG22 ILE 5 2HG2 ILE 5 -6.881 5.966 6.794 36 HG23 ILE 5 3HG2 ILE 5 -7.215 7.689 6.948 37 HD11 ILE 5 1HD1 ILE 5 -5.868 7.358 9.260 38 HD12 ILE 5 2HD1 ILE 5 -7.011 7.946 10.466 39 HD13 ILE 5 3HD1 ILE 5 -7.255 8.325 8.762 40 HA PRO 6 HA PRO 6 -13.596 6.894 7.211 41 HB2 PRO 6 2HB PRO 6 -14.470 8.909 5.576 42 HB3 PRO 6 1HB PRO 6 -14.448 9.026 7.346 43 HG2 PRO 6 2HG PRO 6 -12.658 10.253 5.351 44 HG3 PRO 6 1HG PRO 6 -13.107 10.813 6.968 45 HD2 PRO 6 2HD PRO 6 -10.685 9.561 6.265 46 HD3 PRO 6 1HD PRO 6 -11.287 9.818 7.916 47 H ASP 7 H ASP 7 -14.818 6.235 5.208 48 HA ASP 7 HA ASP 7 -13.096 4.956 3.321 49 HB2 ASP 7 2HB ASP 7 -15.240 4.507 2.084 50 HB3 ASP 7 1HB ASP 7 -15.298 4.047 3.784 51 H VAL 8 H VAL 8 -12.145 5.779 1.543 52 HA VAL 8 HA VAL 8 -13.431 8.046 0.121 53 HB VAL 8 HB VAL 8 -11.750 9.072 1.602 54 HG11 VAL 8 1HG1 VAL 8 -9.308 8.557 1.064 55 HG12 VAL 8 2HG1 VAL 8 -9.888 7.110 0.247 56 HG13 VAL 8 3HG1 VAL 8 -10.175 7.323 1.973 57 HG21 VAL 8 1HG2 VAL 8 -10.921 10.484 -0.025 58 HG22 VAL 8 2HG2 VAL 8 -12.140 9.638 -0.977 59 HG23 VAL 8 3HG2 VAL 8 -10.447 9.157 -1.085 60 H ARG 9 H ARG 9 -13.143 7.948 -2.129 61 HA ARG 9 HA ARG 9 -11.495 5.644 -3.115 62 HB2 ARG 9 2HB ARG 9 -13.943 5.222 -3.277 63 HB3 ARG 9 1HB ARG 9 -14.102 6.670 -4.276 64 HG2 ARG 9 2HG ARG 9 -12.516 5.687 -5.916 65 HG3 ARG 9 1HG ARG 9 -12.432 4.225 -4.936 66 HD2 ARG 9 2HD ARG 9 -14.900 3.955 -5.194 67 HD3 ARG 9 1HD ARG 9 -14.911 5.356 -6.266 68 HE ARG 9 HE ARG 9 -13.003 3.407 -7.192 69 HH11 ARG 9 1HH1 ARG 9 -13.569 2.202 -9.019 70 HH12 ARG 9 2HH1 ARG 9 -15.230 2.118 -9.503 71 HH21 ARG 9 1HH2 ARG 9 -16.363 4.124 -6.913 72 HH22 ARG 9 2HH2 ARG 9 -16.811 3.205 -8.311 73 H LYS 10 H LYS 10 -9.908 6.250 -4.486 74 HA LYS 10 HA LYS 10 -10.342 8.635 -6.215 75 HB2 LYS 10 2HB LYS 10 -7.871 8.120 -4.531 76 HB3 LYS 10 1HB LYS 10 -8.019 9.386 -5.755 77 HG2 LYS 10 2HG LYS 10 -9.966 10.316 -4.499 78 HG3 LYS 10 1HG LYS 10 -9.691 9.110 -3.241 79 HD2 LYS 10 2HD LYS 10 -7.370 9.999 -2.961 80 HD3 LYS 10 1HD LYS 10 -7.755 11.271 -4.121 81 HE2 LYS 10 2HE LYS 10 -8.495 12.469 -2.353 82 HE3 LYS 10 1HE LYS 10 -9.875 11.372 -2.327 83 HZ1 LYS 10 1HZ LYS 10 -9.095 11.091 -0.223 84 HZ2 LYS 10 2HZ LYS 10 -7.477 11.389 -0.647 85 HZ3 LYS 10 3HZ LYS 10 -8.190 9.889 -1.004 86 H SER 11 H SER 11 -9.316 8.467 -8.242 87 HA SER 11 HA SER 11 -7.603 6.079 -8.706 88 HB2 SER 11 2HB SER 11 -9.899 6.764 -10.548 89 HB3 SER 11 1HB SER 11 -8.882 5.328 -10.577 90 HG SER 11 HG SER 11 -10.738 4.754 -9.537 91 H VAL 12 H VAL 12 -6.141 6.354 -10.456 92 HA VAL 12 HA VAL 12 -6.296 8.839 -12.043 93 HB VAL 12 HB VAL 12 -4.973 9.113 -9.742 94 HG11 VAL 12 1HG1 VAL 12 -3.515 7.108 -10.439 95 HG12 VAL 12 2HG1 VAL 12 -2.674 8.552 -9.877 96 HG13 VAL 12 3HG1 VAL 12 -2.772 8.208 -11.602 97 HG21 VAL 12 1HG2 VAL 12 -3.983 10.102 -12.437 98 HG22 VAL 12 2HG2 VAL 12 -3.583 10.826 -10.880 99 HG23 VAL 12 3HG2 VAL 12 -5.247 10.852 -11.462 100 H VAL 13 H VAL 13 -4.778 8.786 -13.872 101 HA VAL 13 HA VAL 13 -4.092 5.994 -14.595 102 HB VAL 13 HB VAL 13 -5.472 7.624 -16.092 103 HG11 VAL 13 1HG1 VAL 13 -2.695 8.498 -16.900 104 HG12 VAL 13 2HG1 VAL 13 -3.669 9.430 -15.764 105 HG13 VAL 13 3HG1 VAL 13 -4.242 9.172 -17.411 106 HG21 VAL 13 1HG2 VAL 13 -4.163 6.727 -18.148 107 HG22 VAL 13 2HG2 VAL 13 -4.845 5.545 -17.028 108 HG23 VAL 13 3HG2 VAL 13 -3.126 5.935 -16.961 109 H VAL 14 H VAL 14 -1.986 5.369 -14.883 110 HA VAL 14 HA VAL 14 0.115 7.485 -14.732 111 HB VAL 14 HB VAL 14 1.450 5.982 -13.300 112 HG11 VAL 14 1HG1 VAL 14 -0.046 6.074 -11.272 113 HG12 VAL 14 2HG1 VAL 14 -1.365 6.562 -12.336 114 HG13 VAL 14 3HG1 VAL 14 0.053 7.596 -12.156 115 HG21 VAL 14 1HG2 VAL 14 0.124 4.014 -12.287 116 HG22 VAL 14 2HG2 VAL 14 0.718 3.811 -13.934 117 HG23 VAL 14 3HG2 VAL 14 -0.975 4.214 -13.650 118 H ALA 15 H ALA 15 2.241 6.693 -15.628 119 HA ALA 15 HA ALA 15 1.750 5.167 -18.085 120 HB1 ALA 15 1HB ALA 15 4.473 6.042 -17.164 121 HB2 ALA 15 2HB ALA 15 3.311 7.246 -17.723 122 HB3 ALA 15 3HB ALA 15 3.832 5.954 -18.806 123 H ALA 16 H ALA 16 1.409 2.979 -17.413 124 HA ALA 16 HA ALA 16 3.768 1.407 -17.032 125 HB1 ALA 16 1HB ALA 16 2.240 0.979 -14.582 126 HB2 ALA 16 2HB ALA 16 2.915 2.606 -14.667 127 HB3 ALA 16 3HB ALA 16 3.976 1.203 -14.794 128 H SER 17 H SER 17 3.197 -0.918 -16.720 129 HA SER 17 HA SER 17 0.514 -1.478 -17.854 130 HB2 SER 17 2HB SER 17 1.404 -3.636 -18.483 131 HB3 SER 17 1HB SER 17 2.609 -2.430 -18.931 132 HG SER 17 HG SER 17 3.242 -2.980 -16.527 133 H VAL 18 H VAL 18 -0.767 -3.234 -16.807 134 HA VAL 18 HA VAL 18 -0.889 -2.945 -13.979 135 HB VAL 18 HB VAL 18 -2.414 -4.913 -14.076 136 HG11 VAL 18 1HG1 VAL 18 -3.135 -2.575 -14.630 137 HG12 VAL 18 2HG1 VAL 18 -4.087 -3.811 -15.455 138 HG13 VAL 18 3HG1 VAL 18 -2.830 -2.935 -16.327 139 HG21 VAL 18 1HG2 VAL 18 -1.315 -5.005 -16.887 140 HG22 VAL 18 2HG2 VAL 18 -2.896 -5.684 -16.500 141 HG23 VAL 18 3HG2 VAL 18 -1.447 -6.321 -15.721 142 H GLU 19 H GLU 19 0.654 -5.405 -16.012 143 HA GLU 19 HA GLU 19 1.442 -7.153 -13.900 144 HB2 GLU 19 2HB GLU 19 1.594 -7.697 -16.347 145 HB3 GLU 19 1HB GLU 19 2.955 -6.584 -16.457 146 HG2 GLU 19 2HG GLU 19 4.146 -7.915 -14.718 147 HG3 GLU 19 1HG GLU 19 2.810 -9.068 -14.728 148 H HIS 20 H HIS 20 2.876 -4.242 -15.284 149 HA HIS 20 HA HIS 20 5.339 -4.322 -13.830 150 HB2 HIS 20 2HB HIS 20 5.177 -2.779 -15.661 151 HB3 HIS 20 1HB HIS 20 3.747 -2.013 -14.965 152 HD1 HIS 20 1HD HIS 20 7.454 -2.075 -14.759 153 HD2 HIS 20 2HD HIS 20 4.299 -0.401 -12.592 154 HE1 HIS 20 1HE HIS 20 8.474 -0.399 -13.165 155 HE2 HIS 20 2HE HIS 20 6.564 0.639 -11.869 156 H CYS 21 H CYS 21 2.191 -2.854 -13.118 157 HA CYS 21 HA CYS 21 2.798 -1.463 -10.782 158 HB2 CYS 21 2HB CYS 21 0.355 -3.112 -11.471 159 HB3 CYS 21 1HB CYS 21 0.440 -2.046 -10.078 160 HG CYS 21 HG CYS 21 0.687 -0.007 -11.671 161 H PHE 22 H PHE 22 1.949 -4.905 -11.093 162 HA PHE 22 HA PHE 22 2.505 -5.283 -8.247 163 HB2 PHE 22 2HB PHE 22 1.139 -6.792 -10.310 164 HB3 PHE 22 1HB PHE 22 2.197 -7.817 -9.323 165 HD1 PHE 22 1HD PHE 22 1.771 -8.195 -7.009 166 HD2 PHE 22 2HD PHE 22 -0.523 -5.294 -9.193 167 HE1 PHE 22 1HE PHE 22 0.269 -7.919 -5.063 168 HE2 PHE 22 2HE PHE 22 -2.028 -5.021 -7.258 169 HZ PHE 22 HZ PHE 22 -1.631 -6.328 -5.189 170 H GLU 23 H GLU 23 4.196 -5.874 -11.269 171 HA GLU 23 HA GLU 23 6.166 -7.651 -10.229 172 HB2 GLU 23 2HB GLU 23 5.962 -7.108 -12.644 173 HB3 GLU 23 1HB GLU 23 6.523 -5.476 -12.298 174 HG2 GLU 23 2HG GLU 23 8.632 -6.400 -11.387 175 HG3 GLU 23 1HG GLU 23 8.081 -8.023 -11.814 176 H VAL 24 H VAL 24 5.913 -4.122 -10.252 177 HA VAL 24 HA VAL 24 8.445 -3.661 -8.982 178 HB VAL 24 HB VAL 24 5.947 -1.946 -9.110 179 HG11 VAL 24 1HG1 VAL 24 7.572 -0.109 -8.599 180 HG12 VAL 24 2HG1 VAL 24 8.794 -1.335 -8.274 181 HG13 VAL 24 3HG1 VAL 24 7.353 -1.238 -7.265 182 HG21 VAL 24 1HG2 VAL 24 8.299 -2.432 -10.890 183 HG22 VAL 24 2HG2 VAL 24 7.740 -0.768 -10.736 184 HG23 VAL 24 3HG2 VAL 24 6.639 -2.017 -11.310 185 H PHE 25 H PHE 25 5.136 -4.054 -7.751 186 HA PHE 25 HA PHE 25 5.492 -3.302 -5.074 187 HB2 PHE 25 2HB PHE 25 3.859 -5.540 -6.288 188 HB3 PHE 25 1HB PHE 25 3.750 -5.091 -4.595 189 HD1 PHE 25 1HD PHE 25 1.287 -4.812 -5.301 190 HD2 PHE 25 2HD PHE 25 4.426 -2.201 -6.677 191 HE1 PHE 25 1HE PHE 25 -0.381 -3.083 -5.867 192 HE2 PHE 25 2HE PHE 25 2.749 -0.490 -7.229 193 HZ PHE 25 HZ PHE 25 0.353 -0.931 -6.827 194 H THR 26 H THR 26 6.161 -6.468 -6.555 195 HA THR 26 HA THR 26 7.304 -7.394 -4.011 196 HB THR 26 HB THR 26 7.577 -9.547 -5.224 197 HG1 THR 26 1HG THR 26 7.234 -7.913 -7.310 198 HG21 THR 26 1HG2 THR 26 5.518 -9.794 -4.319 199 HG22 THR 26 2HG2 THR 26 4.891 -9.401 -5.921 200 HG23 THR 26 3HG2 THR 26 5.073 -8.132 -4.711 201 H SER 27 H SER 27 8.469 -5.603 -6.581 202 HA SER 27 HA SER 27 11.126 -6.908 -6.571 203 HB2 SER 27 2HB SER 27 10.036 -6.022 -8.691 204 HB3 SER 27 1HB SER 27 10.366 -4.412 -8.066 205 HG SER 27 HG SER 27 12.002 -5.542 -9.476 206 H ARG 28 H ARG 28 9.808 -3.623 -5.813 207 HA ARG 28 HA ARG 28 11.577 -3.301 -3.578 208 HB2 ARG 28 2HB ARG 28 13.050 -1.513 -4.707 209 HB3 ARG 28 1HB ARG 28 13.429 -3.197 -5.035 210 HG2 ARG 28 2HG ARG 28 13.465 -2.263 -7.183 211 HG3 ARG 28 1HG ARG 28 11.837 -2.904 -7.100 212 HD2 ARG 28 2HD ARG 28 10.880 -0.787 -6.835 213 HD3 ARG 28 1HD ARG 28 12.390 -0.061 -6.279 214 HE ARG 28 HE ARG 28 12.907 0.358 -8.526 215 HH11 ARG 28 1HH1 ARG 28 12.665 0.092 -10.756 216 HH12 ARG 28 2HH1 ARG 28 11.599 -1.134 -11.359 217 HH21 ARG 28 1HH2 ARG 28 10.652 -2.234 -8.212 218 HH22 ARG 28 2HH2 ARG 28 10.460 -2.449 -9.919 219 HA PRO 29 HA PRO 29 8.141 -0.111 -4.468 220 HB2 PRO 29 2HB PRO 29 6.968 -0.589 -1.960 221 HB3 PRO 29 1HB PRO 29 6.377 -1.189 -3.520 222 HG2 PRO 29 2HG PRO 29 7.959 -2.569 -1.440 223 HG3 PRO 29 1HG PRO 29 6.751 -3.218 -2.558 224 HD2 PRO 29 2HD PRO 29 9.412 -3.639 -2.921 225 HD3 PRO 29 1HD PRO 29 8.288 -3.477 -4.282 226 H ALA 30 H ALA 30 10.428 -0.820 -1.919 227 HA ALA 30 HA ALA 30 10.064 1.786 -0.618 228 HB1 ALA 30 1HB ALA 30 11.963 -0.519 -0.221 229 HB2 ALA 30 2HB ALA 30 10.726 0.087 0.880 230 HB3 ALA 30 3HB ALA 30 12.200 1.016 0.613 231 H ASP 31 H ASP 31 12.680 0.214 -2.444 232 HA ASP 31 HA ASP 31 14.484 2.365 -2.535 233 HB2 ASP 31 2HB ASP 31 14.793 -0.051 -3.358 234 HB3 ASP 31 1HB ASP 31 14.080 0.509 -4.871 235 H TRP 32 H TRP 32 11.385 2.327 -3.982 236 HA TRP 32 HA TRP 32 11.631 3.543 -6.445 237 HB2 TRP 32 2HB TRP 32 9.740 4.058 -4.187 238 HB3 TRP 32 1HB TRP 32 9.733 5.176 -5.540 239 HD1 TRP 32 HD TRP 32 10.108 3.083 -7.931 240 HE1 TRP 32 1HE TRP 32 8.175 1.498 -8.506 241 HE3 TRP 32 3HE TRP 32 7.533 3.242 -3.551 242 HZ2 TRP 32 2HZ TRP 32 5.825 0.428 -7.256 243 HZ3 TRP 32 3HZ TRP 32 5.467 1.923 -3.256 244 HH2 TRP 32 HH TRP 32 4.596 0.529 -5.097 245 H TRP 33 H TRP 33 12.150 5.158 -3.304 246 HA TRP 33 HA TRP 33 12.662 7.718 -4.582 247 HB2 TRP 33 2HB TRP 33 13.250 8.494 -2.350 248 HB3 TRP 33 1HB TRP 33 11.772 7.538 -2.278 249 HD1 TRP 33 HD TRP 33 11.830 5.262 -0.998 250 HE1 TRP 33 1HE TRP 33 13.565 4.151 0.553 251 HE3 TRP 33 3HE TRP 33 15.876 8.232 -1.933 252 HZ2 TRP 33 2HZ TRP 33 16.308 4.482 1.298 253 HZ3 TRP 33 3HZ TRP 33 18.036 7.814 -0.791 254 HH2 TRP 33 HH TRP 33 18.256 5.944 0.823 255 HA PRO 34 HA PRO 34 16.986 6.515 -5.293 256 HB2 PRO 34 2HB PRO 34 17.629 8.477 -7.033 257 HB3 PRO 34 1HB PRO 34 16.606 7.109 -7.513 258 HG2 PRO 34 2HG PRO 34 15.838 9.898 -6.837 259 HG3 PRO 34 1HG PRO 34 15.174 8.807 -8.063 260 HD2 PRO 34 2HD PRO 34 14.017 9.290 -5.572 261 HD3 PRO 34 1HD PRO 34 13.680 7.878 -6.598 262 HA PRO 35 HA PRO 35 19.453 8.878 -2.482 263 HB2 PRO 35 2HB PRO 35 21.131 9.673 -4.834 264 HB3 PRO 35 1HB PRO 35 21.634 9.026 -3.261 265 HG2 PRO 35 2HG PRO 35 21.533 7.517 -5.487 266 HG3 PRO 35 1HG PRO 35 21.235 6.867 -3.869 267 HD2 PRO 35 2HD PRO 35 19.328 7.278 -6.077 268 HD3 PRO 35 1HD PRO 35 19.157 6.281 -4.617 269 H SER 36 H SER 36 17.647 10.468 -2.305 270 HA SER 36 HA SER 36 18.361 13.071 -3.591 271 HB2 SER 36 2HB SER 36 15.997 13.588 -3.837 272 HB3 SER 36 1HB SER 36 16.326 12.050 -4.628 273 HG SER 36 HG SER 36 14.970 11.175 -3.298 274 H HIS 37 H HIS 37 17.687 14.955 -2.329 275 HA HIS 37 HA HIS 37 18.376 14.820 0.405 276 HB2 HIS 37 2HB HIS 37 16.629 16.874 -0.983 277 HB3 HIS 37 1HB HIS 37 17.433 17.094 0.572 278 HD1 HIS 37 1HD HIS 37 20.187 16.632 0.403 279 HD2 HIS 37 2HD HIS 37 18.190 17.739 -3.088 280 HE1 HIS 37 1HE HIS 37 21.959 17.475 -1.203 281 HE2 HIS 37 2HE HIS 37 20.753 18.149 -3.329 282 H VAL 38 H VAL 38 15.206 14.540 -1.148 283 HA VAL 38 HA VAL 38 14.046 13.931 1.549 284 HB VAL 38 HB VAL 38 11.906 14.786 0.708 285 HG11 VAL 38 1HG1 VAL 38 14.092 16.290 1.423 286 HG12 VAL 38 2HG1 VAL 38 12.466 16.935 1.196 287 HG13 VAL 38 3HG1 VAL 38 13.641 17.022 -0.116 288 HG21 VAL 38 1HG2 VAL 38 13.450 14.820 -1.834 289 HG22 VAL 38 2HG2 VAL 38 12.339 16.165 -1.577 290 HG23 VAL 38 3HG2 VAL 38 11.734 14.508 -1.565 291 H LEU 39 H LEU 39 12.829 12.052 1.715 292 HA LEU 39 HA LEU 39 12.000 10.579 -0.679 293 HB2 LEU 39 2HB LEU 39 13.317 8.513 0.169 294 HB3 LEU 39 1HB LEU 39 14.215 9.751 -0.709 295 HG LEU 39 HG LEU 39 14.053 10.307 2.161 296 HD11 LEU 39 1HD1 LEU 39 14.097 7.793 2.186 297 HD12 LEU 39 2HD1 LEU 39 15.532 8.526 2.899 298 HD13 LEU 39 3HD1 LEU 39 15.601 7.857 1.271 299 HD21 LEU 39 1HD2 LEU 39 16.325 10.907 1.845 300 HD22 LEU 39 2HD2 LEU 39 15.558 11.301 0.306 301 HD23 LEU 39 3HD2 LEU 39 16.506 9.822 0.466 302 H VAL 40 H VAL 40 12.881 9.019 2.322 303 HA VAL 40 HA VAL 40 9.977 8.765 2.999 304 HB VAL 40 HB VAL 40 12.257 6.842 3.588 305 HG11 VAL 40 1HG1 VAL 40 10.106 7.021 5.128 306 HG12 VAL 40 2HG1 VAL 40 10.713 5.443 4.633 307 HG13 VAL 40 3HG1 VAL 40 9.340 6.164 3.793 308 HG21 VAL 40 1HG2 VAL 40 9.932 6.393 1.719 309 HG22 VAL 40 2HG2 VAL 40 11.442 5.489 1.826 310 HG23 VAL 40 3HG2 VAL 40 11.436 7.122 1.159 311 H LYS 41 H LYS 41 9.386 9.256 5.137 312 HA LYS 41 HA LYS 41 11.084 10.964 6.663 313 HB2 LYS 41 2HB LYS 41 8.688 9.337 7.537 314 HB3 LYS 41 1HB LYS 41 9.435 10.605 8.503 315 HG2 LYS 41 2HG LYS 41 9.014 12.208 6.624 316 HG3 LYS 41 1HG LYS 41 8.131 10.931 5.787 317 HD2 LYS 41 2HD LYS 41 6.619 10.742 7.772 318 HD3 LYS 41 1HD LYS 41 7.449 12.120 8.492 319 HE2 LYS 41 2HE LYS 41 6.861 13.456 6.444 320 HE3 LYS 41 1HE LYS 41 5.885 12.092 5.896 321 HZ1 LYS 41 1HZ LYS 41 5.179 14.105 7.701 322 HZ2 LYS 41 2HZ LYS 41 5.233 12.641 8.564 323 HZ3 LYS 41 3HZ LYS 41 4.247 12.784 7.187 324 H LYS 42 H LYS 42 10.492 7.491 6.782 325 HA LYS 42 HA LYS 42 12.602 7.254 8.887 326 HB2 LYS 42 2HB LYS 42 11.654 5.087 9.424 327 HB3 LYS 42 1HB LYS 42 10.334 6.256 9.386 328 HG2 LYS 42 2HG LYS 42 9.880 5.576 7.012 329 HG3 LYS 42 1HG LYS 42 11.095 4.310 7.188 330 HD2 LYS 42 2HD LYS 42 9.780 3.490 9.206 331 HD3 LYS 42 1HD LYS 42 8.496 4.592 8.708 332 HE2 LYS 42 2HE LYS 42 8.802 3.426 6.366 333 HE3 LYS 42 1HE LYS 42 9.520 2.133 7.325 334 HZ1 LYS 42 1HZ LYS 42 7.518 1.494 7.981 335 HZ2 LYS 42 2HZ LYS 42 6.829 2.635 6.928 336 HZ3 LYS 42 3HZ LYS 42 7.142 3.048 8.547 337 H GLU 43 H GLU 43 14.414 5.941 8.414 338 HA GLU 43 HA GLU 43 15.019 5.615 5.608 339 HB2 GLU 43 2HB GLU 43 16.436 4.585 8.071 340 HB3 GLU 43 1HB GLU 43 17.088 4.493 6.437 341 HG2 GLU 43 2HG GLU 43 16.300 7.057 7.856 342 HG3 GLU 43 1HG GLU 43 17.952 6.468 7.674 343 H ARG 44 H ARG 44 14.423 3.953 4.336 344 HA ARG 44 HA ARG 44 13.215 1.548 5.538 345 HB2 ARG 44 2HB ARG 44 13.667 2.342 2.640 346 HB3 ARG 44 1HB ARG 44 12.724 0.951 3.183 347 HG2 ARG 44 2HG ARG 44 11.251 2.502 4.474 348 HG3 ARG 44 1HG ARG 44 12.147 3.862 3.811 349 HD2 ARG 44 2HD ARG 44 11.556 3.015 1.505 350 HD3 ARG 44 1HD ARG 44 10.492 1.844 2.283 351 HE ARG 44 HE ARG 44 10.023 4.641 3.051 352 HH11 ARG 44 1HH1 ARG 44 7.967 5.413 2.515 353 HH12 ARG 44 2HH1 ARG 44 6.969 4.502 1.432 354 HH21 ARG 44 1HH2 ARG 44 9.302 1.976 0.986 355 HH22 ARG 44 2HH2 ARG 44 7.725 2.555 0.567 356 H ALA 45 H ALA 45 14.178 -0.497 5.495 357 HA ALA 45 HA ALA 45 17.056 -0.525 4.674 358 HB1 ALA 45 1HB ALA 45 17.323 -1.134 6.834 359 HB2 ALA 45 2HB ALA 45 16.678 -2.698 6.336 360 HB3 ALA 45 3HB ALA 45 15.606 -1.483 7.031 361 H GLY 46 H GLY 46 14.175 -2.643 4.874 362 HA2 GLY 46 2HA GLY 46 14.893 -3.838 2.289 363 HA3 GLY 46 1HA GLY 46 15.063 -4.933 3.656 364 H LEU 47 H LEU 47 13.271 -5.777 1.890 365 HA LEU 47 HA LEU 47 10.757 -5.487 3.363 366 HB2 LEU 47 2HB LEU 47 9.954 -5.250 0.656 367 HB3 LEU 47 1HB LEU 47 9.732 -4.075 1.951 368 HG LEU 47 HG LEU 47 11.904 -3.059 1.445 369 HD11 LEU 47 1HD1 LEU 47 12.589 -4.184 -1.043 370 HD12 LEU 47 2HD1 LEU 47 12.288 -5.559 0.018 371 HD13 LEU 47 3HD1 LEU 47 13.486 -4.346 0.467 372 HD21 LEU 47 1HD2 LEU 47 9.904 -3.463 -0.740 373 HD22 LEU 47 2HD2 LEU 47 11.364 -2.540 -1.081 374 HD23 LEU 47 3HD2 LEU 47 10.257 -2.010 0.185 375 H ALA 48 H ALA 48 9.541 -7.336 3.254 376 HA ALA 48 HA ALA 48 10.587 -9.484 1.473 377 HB1 ALA 48 1HB ALA 48 10.082 -11.002 3.111 378 HB2 ALA 48 2HB ALA 48 8.591 -10.174 3.551 379 HB3 ALA 48 3HB ALA 48 10.138 -9.590 4.167 380 H PHE 49 H PHE 49 9.256 -10.283 -0.126 381 HA PHE 49 HA PHE 49 6.390 -9.455 -0.081 382 HB2 PHE 49 2HB PHE 49 8.511 -8.624 -1.938 383 HB3 PHE 49 1HB PHE 49 7.066 -9.250 -2.728 384 HD1 PHE 49 1HD PHE 49 8.456 -6.582 -0.635 385 HD2 PHE 49 2HD PHE 49 4.893 -8.157 -2.430 386 HE1 PHE 49 1HE PHE 49 7.317 -4.409 -0.278 387 HE2 PHE 49 2HE PHE 49 3.751 -5.985 -2.079 388 HZ PHE 49 HZ PHE 49 4.967 -4.111 -1.007 389 H GLU 50 H GLU 50 5.073 -11.136 -0.647 390 HA GLU 50 HA GLU 50 6.252 -13.279 -2.365 391 HB2 GLU 50 2HB GLU 50 4.993 -13.495 0.302 392 HB3 GLU 50 1HB GLU 50 4.561 -14.742 -0.867 393 HG2 GLU 50 2HG GLU 50 7.380 -13.941 -0.132 394 HG3 GLU 50 1HG GLU 50 6.540 -15.337 0.533 395 HA PRO 51 HA PRO 51 2.340 -12.400 -4.435 396 HB2 PRO 51 2HB PRO 51 2.586 -13.956 -6.575 397 HB3 PRO 51 1HB PRO 51 3.682 -12.584 -6.318 398 HG2 PRO 51 2HG PRO 51 4.157 -15.491 -5.845 399 HG3 PRO 51 1HG PRO 51 5.235 -14.277 -6.554 400 HD2 PRO 51 2HD PRO 51 5.334 -15.113 -3.895 401 HD3 PRO 51 1HD PRO 51 5.996 -13.582 -4.514 402 H PHE 52 H PHE 52 0.333 -13.197 -3.920 403 HA PHE 52 HA PHE 52 -0.673 -15.753 -4.480 404 HB2 PHE 52 2HB PHE 52 -0.742 -16.599 -2.007 405 HB3 PHE 52 1HB PHE 52 0.696 -16.893 -2.970 406 HD1 PHE 52 1HD PHE 52 1.707 -17.208 -0.614 407 HD2 PHE 52 2HD PHE 52 0.345 -13.387 -2.050 408 HE1 PHE 52 1HE PHE 52 3.085 -16.046 1.087 409 HE2 PHE 52 2HE PHE 52 1.745 -12.259 -0.405 410 HZ PHE 52 HZ PHE 52 3.083 -13.563 1.199 411 H VAL 53 H VAL 53 -2.632 -16.277 -2.870 412 HA VAL 53 HA VAL 53 -4.145 -13.744 -2.594 413 HB VAL 53 HB VAL 53 -5.895 -15.008 -3.247 414 HG11 VAL 53 1HG1 VAL 53 -5.525 -17.248 -4.070 415 HG12 VAL 53 2HG1 VAL 53 -4.085 -17.426 -3.070 416 HG13 VAL 53 3HG1 VAL 53 -4.088 -16.290 -4.420 417 HG21 VAL 53 1HG2 VAL 53 -6.305 -15.486 -0.866 418 HG22 VAL 53 2HG2 VAL 53 -5.216 -16.876 -0.952 419 HG23 VAL 53 3HG2 VAL 53 -6.722 -16.878 -1.863 420 H GLY 54 H GLY 54 -4.929 -13.042 -0.504 421 HA2 GLY 54 2HA GLY 54 -4.851 -12.921 1.873 422 HA3 GLY 54 1HA GLY 54 -4.624 -14.681 1.872 423 H GLY 55 H GLY 55 -2.739 -12.538 -0.007 424 HA2 GLY 55 2HA GLY 55 -0.268 -13.620 0.920 425 HA3 GLY 55 1HA GLY 55 -0.480 -12.308 -0.237 426 H ARG 56 H ARG 56 1.643 -11.947 1.251 427 HA ARG 56 HA ARG 56 0.826 -9.741 3.046 428 HB2 ARG 56 2HB ARG 56 2.505 -12.097 3.909 429 HB3 ARG 56 1HB ARG 56 2.418 -10.583 4.807 430 HG2 ARG 56 2HG ARG 56 -0.064 -10.862 4.933 431 HG3 ARG 56 1HG ARG 56 0.111 -12.442 4.171 432 HD2 ARG 56 2HD ARG 56 1.337 -11.582 6.807 433 HD3 ARG 56 1HD ARG 56 0.000 -12.714 6.598 434 HE ARG 56 HE ARG 56 2.319 -13.582 5.114 435 HH11 ARG 56 1HH1 ARG 56 3.452 -15.354 5.941 436 HH12 ARG 56 2HH1 ARG 56 3.212 -15.825 7.591 437 HH21 ARG 56 1HH2 ARG 56 0.916 -13.313 8.251 438 HH22 ARG 56 2HH2 ARG 56 1.777 -14.669 8.899 439 H TYR 57 H TYR 57 2.327 -8.115 3.190 440 HA TYR 57 HA TYR 57 4.902 -8.462 1.712 441 HB2 TYR 57 2HB TYR 57 3.320 -5.889 1.927 442 HB3 TYR 57 1HB TYR 57 4.732 -6.197 0.925 443 HD1 TYR 57 1HD TYR 57 4.112 -8.854 -0.262 444 HD2 TYR 57 2HD TYR 57 1.568 -5.458 0.439 445 HE1 TYR 57 1HE TYR 57 2.613 -9.609 -2.068 446 HE2 TYR 57 2HE TYR 57 0.073 -6.215 -1.385 447 HH TYR 57 HH TYR 57 0.320 -9.333 -2.784 448 H TYR 58 H TYR 58 6.718 -7.291 2.651 449 HA TYR 58 HA TYR 58 6.187 -6.265 5.406 450 HB2 TYR 58 2HB TYR 58 8.404 -8.183 4.661 451 HB3 TYR 58 1HB TYR 58 8.043 -7.563 6.270 452 HD1 TYR 58 1HD TYR 58 6.568 -8.703 7.666 453 HD2 TYR 58 2HD TYR 58 6.454 -9.418 3.436 454 HE1 TYR 58 1HE TYR 58 4.899 -10.493 8.016 455 HE2 TYR 58 2HE TYR 58 4.789 -11.208 3.772 456 HH TYR 58 HH TYR 58 3.299 -11.764 6.900 457 H GLU 59 H GLU 59 7.764 -4.843 6.245 458 HA GLU 59 HA GLU 59 9.740 -3.722 4.287 459 HB2 GLU 59 2HB GLU 59 7.690 -2.264 4.542 460 HB3 GLU 59 1HB GLU 59 8.099 -2.098 6.248 461 HG2 GLU 59 2HG GLU 59 10.323 -1.189 5.598 462 HG3 GLU 59 1HG GLU 59 9.829 -1.270 3.905 463 H TRP 60 H TRP 60 11.716 -3.047 5.275 464 HA TRP 60 HA TRP 60 12.035 -3.993 8.100 465 HB2 TRP 60 2HB TRP 60 13.675 -4.217 5.695 466 HB3 TRP 60 1HB TRP 60 14.577 -3.525 7.041 467 HD1 TRP 60 HD TRP 60 14.078 -4.982 9.475 468 HE1 TRP 60 1HE TRP 60 14.173 -7.553 9.727 469 HE3 TRP 60 3HE TRP 60 13.563 -6.376 4.588 470 HZ2 TRP 60 2HZ TRP 60 13.999 -9.877 8.070 471 HZ3 TRP 60 3HZ TRP 60 13.530 -8.767 3.951 472 HH2 TRP 60 HH TRP 60 13.759 -10.521 5.683 473 H ASP 61 H ASP 61 12.462 -2.451 9.631 474 HA ASP 61 HA ASP 61 13.223 0.269 8.608 475 HB2 ASP 61 2HB ASP 61 12.632 0.040 11.468 476 HB3 ASP 61 1HB ASP 61 11.972 1.153 10.277 477 H ILE 62 H ILE 62 15.239 1.077 9.170 478 HA ILE 62 HA ILE 62 17.335 -0.627 9.838 479 HB ILE 62 HB ILE 62 18.684 1.341 10.229 480 HG12 ILE 62 2HG1 ILE 62 17.133 2.547 11.728 481 HG13 ILE 62 1HG1 ILE 62 17.710 3.578 10.434 482 HG21 ILE 62 1HG2 ILE 62 18.164 0.956 7.928 483 HG22 ILE 62 2HG2 ILE 62 18.021 2.691 8.212 484 HG23 ILE 62 3HG2 ILE 62 16.573 1.693 8.108 485 HD11 ILE 62 1HD1 ILE 62 15.523 2.839 9.198 486 HD12 ILE 62 2HD1 ILE 62 15.413 4.043 10.473 487 HD13 ILE 62 3HD1 ILE 62 14.973 2.373 10.802 488 H ASP 63 H ASP 63 15.347 1.272 12.078 489 HA ASP 63 HA ASP 63 16.834 0.012 14.334 490 HB2 ASP 63 2HB ASP 63 14.935 2.380 14.261 491 HB3 ASP 63 1HB ASP 63 15.650 1.721 15.733 492 H GLY 64 H GLY 64 14.031 -0.190 12.479 493 HA2 GLY 64 2HA GLY 64 12.598 -1.636 14.650 494 HA3 GLY 64 1HA GLY 64 11.788 -0.865 13.296 495 H THR 65 H THR 65 12.038 -3.666 14.375 496 HA THR 65 HA THR 65 13.310 -5.397 12.536 497 HB THR 65 HB THR 65 10.736 -5.951 14.019 498 HG1 THR 65 1HG THR 65 12.091 -5.096 15.518 499 HG21 THR 65 1HG2 THR 65 12.929 -7.586 12.819 500 HG22 THR 65 2HG2 THR 65 11.191 -7.884 12.850 501 HG23 THR 65 3HG2 THR 65 12.161 -8.175 14.291 502 H GLU 66 H GLU 66 11.715 -7.043 11.273 503 HA GLU 66 HA GLU 66 10.312 -5.357 9.292 504 HB2 GLU 66 2HB GLU 66 11.864 -7.609 9.028 505 HB3 GLU 66 1HB GLU 66 10.246 -8.258 8.899 506 HG2 GLU 66 2HG GLU 66 9.728 -6.485 7.221 507 HG3 GLU 66 1HG GLU 66 11.421 -6.026 7.249 508 H ILE 67 H ILE 67 8.104 -5.621 8.811 509 HA ILE 67 HA ILE 67 6.548 -7.626 10.326 510 HB ILE 67 HB ILE 67 5.510 -4.849 10.597 511 HG12 ILE 67 2HG1 ILE 67 7.622 -6.009 12.426 512 HG13 ILE 67 1HG1 ILE 67 7.900 -4.680 11.301 513 HG21 ILE 67 1HG2 ILE 67 4.676 -5.806 12.725 514 HG22 ILE 67 2HG2 ILE 67 5.514 -7.313 12.352 515 HG23 ILE 67 3HG2 ILE 67 4.184 -6.767 11.331 516 HD11 ILE 67 1HD1 ILE 67 7.396 -3.468 13.199 517 HD12 ILE 67 2HD1 ILE 67 6.332 -4.719 13.842 518 HD13 ILE 67 3HD1 ILE 67 5.771 -3.668 12.541 519 H VAL 68 H VAL 68 4.165 -7.503 9.693 520 HA VAL 68 HA VAL 68 3.998 -7.074 6.777 521 HB VAL 68 HB VAL 68 3.080 -9.155 7.676 522 HG11 VAL 68 1HG1 VAL 68 1.990 -9.213 9.643 523 HG12 VAL 68 2HG1 VAL 68 0.772 -8.087 9.043 524 HG13 VAL 68 3HG1 VAL 68 2.251 -7.476 9.787 525 HG21 VAL 68 1HG2 VAL 68 1.878 -7.657 5.837 526 HG22 VAL 68 2HG2 VAL 68 0.616 -7.568 7.066 527 HG23 VAL 68 3HG2 VAL 68 1.121 -9.134 6.432 528 H TRP 69 H TRP 69 2.896 -5.384 5.845 529 HA TRP 69 HA TRP 69 1.462 -3.525 7.698 530 HB2 TRP 69 2HB TRP 69 2.313 -2.737 4.936 531 HB3 TRP 69 1HB TRP 69 2.146 -1.739 6.382 532 HD1 TRP 69 HD TRP 69 4.692 -3.324 4.321 533 HE1 TRP 69 1HE TRP 69 6.937 -3.466 5.569 534 HE3 TRP 69 3HE TRP 69 3.130 -2.298 9.065 535 HZ2 TRP 69 2HZ TRP 69 7.943 -3.173 8.236 536 HZ3 TRP 69 3HZ TRP 69 4.750 -2.249 10.931 537 HH2 TRP 69 HH TRP 69 7.152 -2.672 10.525 538 H GLY 70 H GLY 70 0.720 -5.921 5.551 539 HA2 GLY 70 2HA GLY 70 -1.992 -4.988 5.207 540 HA3 GLY 70 1HA GLY 70 -1.076 -4.809 3.712 541 H ARG 71 H ARG 71 -2.842 -6.379 3.078 542 HA ARG 71 HA ARG 71 -1.728 -9.075 3.075 543 HB2 ARG 71 2HB ARG 71 -3.559 -8.632 5.027 544 HB3 ARG 71 1HB ARG 71 -4.629 -9.053 3.695 545 HG2 ARG 71 2HG ARG 71 -3.270 -11.104 3.292 546 HG3 ARG 71 1HG ARG 71 -2.324 -10.713 4.728 547 HD2 ARG 71 2HD ARG 71 -4.428 -10.747 6.075 548 HD3 ARG 71 1HD ARG 71 -5.302 -11.266 4.635 549 HE ARG 71 HE ARG 71 -3.241 -13.113 4.888 550 HH11 ARG 71 1HH1 ARG 71 -3.489 -15.037 6.051 551 HH12 ARG 71 2HH1 ARG 71 -4.682 -15.128 7.303 552 HH21 ARG 71 1HH2 ARG 71 -5.777 -11.868 6.866 553 HH22 ARG 71 2HH2 ARG 71 -5.976 -13.336 7.765 554 H ILE 72 H ILE 72 -3.559 -10.404 1.665 555 HA ILE 72 HA ILE 72 -4.490 -8.590 -0.501 556 HB ILE 72 HB ILE 72 -2.766 -11.059 -0.788 557 HG12 ILE 72 2HG1 ILE 72 -1.616 -9.308 -2.381 558 HG13 ILE 72 1HG1 ILE 72 -2.490 -8.129 -1.405 559 HG21 ILE 72 1HG2 ILE 72 -3.090 -10.684 -3.265 560 HG22 ILE 72 2HG2 ILE 72 -4.440 -9.630 -2.850 561 HG23 ILE 72 3HG2 ILE 72 -4.489 -11.339 -2.416 562 HD11 ILE 72 1HD1 ILE 72 -0.735 -8.265 0.019 563 HD12 ILE 72 2HD1 ILE 72 -0.147 -9.758 -0.711 564 HD13 ILE 72 3HD1 ILE 72 -1.416 -9.811 0.508 565 H LEU 73 H LEU 73 -6.081 -9.794 -1.980 566 HA LEU 73 HA LEU 73 -7.630 -11.797 -0.382 567 HB2 LEU 73 2HB LEU 73 -8.484 -9.552 -2.190 568 HB3 LEU 73 1HB LEU 73 -9.547 -10.933 -1.923 569 HG LEU 73 HG LEU 73 -8.291 -9.633 0.460 570 HD11 LEU 73 1HD1 LEU 73 -10.857 -8.591 -0.750 571 HD12 LEU 73 2HD1 LEU 73 -9.298 -7.823 -1.051 572 HD13 LEU 73 3HD1 LEU 73 -9.931 -7.915 0.588 573 HD21 LEU 73 1HD2 LEU 73 -10.946 -10.976 -0.138 574 HD22 LEU 73 2HD2 LEU 73 -10.516 -10.298 1.430 575 HD23 LEU 73 3HD2 LEU 73 -9.602 -11.656 0.776 576 H GLU 74 H GLU 74 -6.944 -10.710 -3.663 577 HA GLU 74 HA GLU 74 -6.244 -13.307 -4.672 578 HB2 GLU 74 2HB GLU 74 -8.748 -13.553 -4.497 579 HB3 GLU 74 1HB GLU 74 -8.908 -12.189 -5.607 580 HG2 GLU 74 2HG GLU 74 -7.553 -13.444 -7.285 581 HG3 GLU 74 1HG GLU 74 -7.523 -14.824 -6.186 582 H TRP 75 H TRP 75 -5.214 -13.010 -6.709 583 HA TRP 75 HA TRP 75 -5.157 -10.167 -7.624 584 HB2 TRP 75 2HB TRP 75 -2.891 -10.646 -8.446 585 HB3 TRP 75 1HB TRP 75 -3.027 -10.954 -6.712 586 HD1 TRP 75 HD TRP 75 -3.666 -13.644 -6.117 587 HE1 TRP 75 1HE TRP 75 -2.637 -15.760 -7.169 588 HE3 TRP 75 3HE TRP 75 -1.784 -11.659 -10.426 589 HZ2 TRP 75 2HZ TRP 75 -1.203 -16.512 -9.528 590 HZ3 TRP 75 3HZ TRP 75 -0.591 -13.095 -12.056 591 HH2 TRP 75 HH TRP 75 -0.298 -15.517 -11.613 592 H ASP 76 H ASP 76 -6.319 -9.918 -9.443 593 HA ASP 76 HA ASP 76 -6.126 -12.038 -11.542 594 HB2 ASP 76 2HB ASP 76 -8.402 -10.805 -10.391 595 HB3 ASP 76 1HB ASP 76 -8.245 -10.138 -12.016 596 HA PRO 77 HA PRO 77 -3.631 -8.485 -13.083 597 HB2 PRO 77 2HB PRO 77 -2.851 -10.313 -15.226 598 HB3 PRO 77 1HB PRO 77 -1.851 -9.495 -14.022 599 HG2 PRO 77 2HG PRO 77 -2.453 -12.187 -14.050 600 HG3 PRO 77 1HG PRO 77 -1.831 -11.275 -12.671 601 HD2 PRO 77 2HD PRO 77 -4.515 -12.374 -13.089 602 HD3 PRO 77 1HD PRO 77 -3.767 -11.781 -11.597 603 HA PRO 78 HA PRO 78 -5.736 -9.211 -17.541 604 HB2 PRO 78 2HB PRO 78 -8.194 -10.435 -16.363 605 HB3 PRO 78 1HB PRO 78 -7.442 -10.706 -17.947 606 HG2 PRO 78 2HG PRO 78 -7.171 -12.462 -15.976 607 HG3 PRO 78 1HG PRO 78 -5.844 -12.118 -17.098 608 HD2 PRO 78 2HD PRO 78 -6.158 -11.309 -14.256 609 HD3 PRO 78 1HD PRO 78 -4.678 -11.608 -15.187 610 H HIS 79 H HIS 79 -7.113 -8.064 -14.486 611 HA HIS 79 HA HIS 79 -7.862 -5.595 -15.671 612 HB2 HIS 79 2HB HIS 79 -9.681 -7.600 -16.347 613 HB3 HIS 79 1HB HIS 79 -10.454 -6.731 -15.021 614 HD1 HIS 79 1HD HIS 79 -10.217 -3.960 -15.318 615 HD2 HIS 79 2HD HIS 79 -10.064 -6.308 -18.762 616 HE1 HIS 79 1HE HIS 79 -10.697 -2.411 -17.260 617 HE2 HIS 79 2HE HIS 79 -10.626 -3.832 -19.364 618 H ARG 80 H ARG 80 -8.337 -7.846 -12.931 619 HA ARG 80 HA ARG 80 -8.523 -5.424 -11.246 620 HB2 ARG 80 2HB ARG 80 -10.845 -5.889 -11.824 621 HB3 ARG 80 1HB ARG 80 -10.672 -7.551 -11.265 622 HG2 ARG 80 2HG ARG 80 -10.184 -6.731 -8.981 623 HG3 ARG 80 1HG ARG 80 -10.399 -5.074 -9.545 624 HD2 ARG 80 2HD ARG 80 -12.503 -7.242 -9.696 625 HD3 ARG 80 1HD ARG 80 -12.445 -5.974 -8.478 626 HE ARG 80 HE ARG 80 -12.408 -4.853 -11.139 627 HH11 ARG 80 1HH1 ARG 80 -14.294 -3.818 -11.830 628 HH12 ARG 80 2HH1 ARG 80 -15.782 -4.110 -10.995 629 HH21 ARG 80 1HH2 ARG 80 -14.375 -6.306 -8.709 630 HH22 ARG 80 2HH2 ARG 80 -15.828 -5.519 -9.228 631 H LEU 81 H LEU 81 -7.807 -5.627 -9.206 632 HA LEU 81 HA LEU 81 -7.142 -8.344 -8.182 633 HB2 LEU 81 2HB LEU 81 -5.408 -5.870 -8.201 634 HB3 LEU 81 1HB LEU 81 -5.113 -7.211 -7.106 635 HG LEU 81 HG LEU 81 -5.284 -8.585 -9.399 636 HD11 LEU 81 1HD1 LEU 81 -4.449 -7.392 -11.265 637 HD12 LEU 81 2HD1 LEU 81 -4.019 -6.003 -10.271 638 HD13 LEU 81 3HD1 LEU 81 -5.714 -6.372 -10.585 639 HD21 LEU 81 1HD2 LEU 81 -3.374 -8.495 -7.766 640 HD22 LEU 81 2HD2 LEU 81 -2.807 -7.050 -8.603 641 HD23 LEU 81 3HD2 LEU 81 -2.861 -8.591 -9.451 642 H ALA 82 H ALA 82 -8.025 -8.639 -6.179 643 HA ALA 82 HA ALA 82 -8.972 -6.215 -4.701 644 HB1 ALA 82 1HB ALA 82 -10.806 -7.709 -5.066 645 HB2 ALA 82 2HB ALA 82 -10.312 -7.984 -3.396 646 HB3 ALA 82 3HB ALA 82 -9.831 -9.120 -4.658 647 H MET 83 H MET 83 -8.405 -6.092 -2.362 648 HA MET 83 HA MET 83 -6.456 -8.141 -1.493 649 HB2 MET 83 2HB MET 83 -5.058 -5.927 -0.783 650 HB3 MET 83 1HB MET 83 -4.755 -6.851 -2.253 651 HG2 MET 83 2HG MET 83 -6.239 -5.373 -3.523 652 HG3 MET 83 1HG MET 83 -6.634 -4.479 -2.054 653 HE1 MET 83 1HE MET 83 -2.972 -5.817 -3.399 654 HE2 MET 83 2HE MET 83 -2.851 -4.499 -4.560 655 HE3 MET 83 3HE MET 83 -4.243 -5.577 -4.605 656 H THR 84 H THR 84 -6.330 -8.403 0.735 657 HA THR 84 HA THR 84 -8.058 -6.550 2.348 658 HB THR 84 HB THR 84 -7.055 -9.367 2.886 659 HG1 THR 84 1HG THR 84 -9.081 -9.915 2.534 660 HG21 THR 84 1HG2 THR 84 -8.769 -8.834 4.922 661 HG22 THR 84 2HG2 THR 84 -8.028 -7.248 4.708 662 HG23 THR 84 3HG2 THR 84 -7.019 -8.654 5.051 663 H TRP 85 H TRP 85 -7.035 -5.572 4.266 664 HA TRP 85 HA TRP 85 -4.055 -5.715 4.104 665 HB2 TRP 85 2HB TRP 85 -3.912 -3.458 4.663 666 HB3 TRP 85 1HB TRP 85 -5.321 -3.521 3.606 667 HD1 TRP 85 HD TRP 85 -7.513 -4.517 5.602 668 HE1 TRP 85 1HE TRP 85 -8.311 -2.980 7.516 669 HE3 TRP 85 3HE TRP 85 -3.520 -1.359 5.910 670 HZ2 TRP 85 2HZ TRP 85 -7.370 -0.700 8.980 671 HZ3 TRP 85 3HZ TRP 85 -3.493 0.485 7.562 672 HH2 TRP 85 HH TRP 85 -5.409 0.820 9.093 673 H ARG 86 H ARG 86 -2.937 -6.494 5.813 674 HA ARG 86 HA ARG 86 -4.435 -6.776 8.398 675 HB2 ARG 86 2HB ARG 86 -3.789 -8.917 7.268 676 HB3 ARG 86 1HB ARG 86 -2.099 -8.435 7.405 677 HG2 ARG 86 2HG ARG 86 -2.394 -8.268 9.881 678 HG3 ARG 86 1HG ARG 86 -4.039 -8.878 9.691 679 HD2 ARG 86 2HD ARG 86 -3.107 -10.920 8.591 680 HD3 ARG 86 1HD ARG 86 -1.484 -10.325 8.941 681 HE ARG 86 HE ARG 86 -2.900 -10.334 11.387 682 HH11 ARG 86 1HH1 ARG 86 -2.662 -12.069 12.815 683 HH12 ARG 86 2HH1 ARG 86 -2.107 -13.596 12.216 684 HH21 ARG 86 1HH2 ARG 86 -1.817 -12.505 8.937 685 HH22 ARG 86 2HH2 ARG 86 -1.628 -13.843 10.020 686 H ILE 87 H ILE 87 -3.753 -5.194 9.766 687 HA ILE 87 HA ILE 87 -0.850 -4.923 10.234 688 HB ILE 87 HB ILE 87 -1.625 -3.201 8.485 689 HG12 ILE 87 2HG1 ILE 87 -0.544 -1.953 11.018 690 HG13 ILE 87 1HG1 ILE 87 0.425 -3.073 10.060 691 HG21 ILE 87 1HG2 ILE 87 -2.803 -1.859 10.929 692 HG22 ILE 87 2HG2 ILE 87 -3.783 -2.755 9.769 693 HG23 ILE 87 3HG2 ILE 87 -2.894 -1.322 9.252 694 HD11 ILE 87 1HD1 ILE 87 -0.897 -0.598 8.921 695 HD12 ILE 87 2HD1 ILE 87 0.251 -1.655 8.108 696 HD13 ILE 87 3HD1 ILE 87 0.781 -0.656 9.458 697 H ASP 88 H ASP 88 -0.434 -3.684 12.279 698 HA ASP 88 HA ASP 88 -2.739 -4.003 14.153 699 HB2 ASP 88 2HB ASP 88 -0.847 -5.451 14.654 700 HB3 ASP 88 1HB ASP 88 0.222 -4.054 14.736 701 H GLY 89 H GLY 89 -2.610 -2.512 16.073 702 HA2 GLY 89 2HA GLY 89 -2.705 0.209 15.188 703 HA3 GLY 89 1HA GLY 89 -2.766 -0.310 16.873 704 H HIS 90 H HIS 90 -0.307 -1.466 17.269 705 HA HIS 90 HA HIS 90 1.495 0.876 16.906 706 HB2 HIS 90 2HB HIS 90 0.962 -0.855 19.107 707 HB3 HIS 90 1HB HIS 90 2.633 -1.119 18.625 708 HD1 HIS 90 1HD HIS 90 0.904 0.897 20.889 709 HD2 HIS 90 2HD HIS 90 3.777 1.749 17.985 710 HE1 HIS 90 1HE HIS 90 1.937 3.121 21.533 711 HE2 HIS 90 2HE HIS 90 3.687 3.649 19.774 712 H TRP 91 H TRP 91 1.023 -0.945 14.726 713 HA TRP 91 HA TRP 91 2.228 -2.148 13.122 714 HB2 TRP 91 2HB TRP 91 4.501 -0.815 14.614 715 HB3 TRP 91 1HB TRP 91 4.717 -1.733 13.133 716 HD1 TRP 91 HD TRP 91 2.966 -0.855 11.061 717 HE1 TRP 91 1HE TRP 91 2.565 1.585 10.349 718 HE3 TRP 91 3HE TRP 91 4.456 1.563 15.292 719 HZ2 TRP 91 2HZ TRP 91 2.856 4.214 11.432 720 HZ3 TRP 91 3HZ TRP 91 4.390 4.032 15.432 721 HH2 TRP 91 HH TRP 91 3.585 5.366 13.504 722 H GLN 92 H GLN 92 1.638 -3.414 15.824 723 HA GLN 92 HA GLN 92 3.882 -5.394 15.888 724 HB2 GLN 92 2HB GLN 92 1.657 -4.905 17.896 725 HB3 GLN 92 1HB GLN 92 2.950 -6.092 18.071 726 HG2 GLN 92 2HG GLN 92 4.625 -4.269 17.986 727 HG3 GLN 92 1HG GLN 92 3.322 -3.101 17.837 728 HE21 GLN 92 1HE2 GLN 92 5.129 -3.020 20.057 729 HE22 GLN 92 2HE2 GLN 92 4.263 -3.412 21.463 730 H SER 93 H SER 93 3.398 -6.974 14.407 731 HA SER 93 HA SER 93 0.912 -7.712 13.397 732 HB2 SER 93 2HB SER 93 3.099 -8.589 12.580 733 HB3 SER 93 1HB SER 93 3.190 -9.620 14.009 734 HG SER 93 HG SER 93 2.010 -10.157 11.744 735 H VAL 94 H VAL 94 -0.776 -8.979 14.086 736 HA VAL 94 HA VAL 94 -0.541 -10.236 16.793 737 HB VAL 94 HB VAL 94 -3.183 -9.705 16.661 738 HG11 VAL 94 1HG1 VAL 94 -2.448 -7.408 17.774 739 HG12 VAL 94 2HG1 VAL 94 -0.843 -8.133 17.669 740 HG13 VAL 94 3HG1 VAL 94 -2.121 -8.944 18.574 741 HG21 VAL 94 1HG2 VAL 94 -2.065 -7.200 15.450 742 HG22 VAL 94 2HG2 VAL 94 -3.727 -7.786 15.461 743 HG23 VAL 94 3HG2 VAL 94 -2.541 -8.518 14.382 744 HA PRO 95 HA PRO 95 -1.862 -14.065 15.070 745 HB2 PRO 95 2HB PRO 95 -4.080 -14.591 16.756 746 HB3 PRO 95 1HB PRO 95 -2.408 -15.119 17.010 747 HG2 PRO 95 2HG PRO 95 -3.878 -12.861 18.214 748 HG3 PRO 95 1HG PRO 95 -2.539 -13.821 18.866 749 HD2 PRO 95 2HD PRO 95 -2.194 -11.276 17.979 750 HD3 PRO 95 1HD PRO 95 -0.919 -12.508 17.840 751 H ASP 96 H ASP 96 -4.293 -11.595 15.642 752 HA ASP 96 HA ASP 96 -5.477 -12.104 13.018 753 HB2 ASP 96 2HB ASP 96 -6.615 -13.683 14.753 754 HB3 ASP 96 1HB ASP 96 -7.364 -12.200 15.349 755 H ASP 97 H ASP 97 -6.728 -10.282 12.331 756 HA ASP 97 HA ASP 97 -6.363 -7.893 14.068 757 HB2 ASP 97 2HB ASP 97 -6.672 -8.231 11.085 758 HB3 ASP 97 1HB ASP 97 -6.819 -6.664 11.880 759 H ASP 98 H ASP 98 -8.156 -7.251 15.122 760 HA ASP 98 HA ASP 98 -10.813 -8.089 14.197 761 HB2 ASP 98 2HB ASP 98 -9.881 -6.466 16.573 762 HB3 ASP 98 1HB ASP 98 -11.566 -6.876 16.263 763 H ARG 99 H ARG 99 -8.671 -5.588 13.634 764 HA ARG 99 HA ARG 99 -10.844 -3.685 12.906 765 HB2 ARG 99 2HB ARG 99 -8.533 -2.223 12.743 766 HB3 ARG 99 1HB ARG 99 -9.536 -2.320 14.191 767 HG2 ARG 99 2HG ARG 99 -8.187 -4.182 15.037 768 HG3 ARG 99 1HG ARG 99 -7.211 -4.167 13.569 769 HD2 ARG 99 2HD ARG 99 -6.494 -1.853 14.084 770 HD3 ARG 99 1HD ARG 99 -7.446 -1.898 15.567 771 HE ARG 99 HE ARG 99 -5.503 -4.074 15.362 772 HH11 ARG 99 1HH1 ARG 99 -3.838 -4.010 16.892 773 HH12 ARG 99 2HH1 ARG 99 -3.568 -2.557 17.797 774 HH21 ARG 99 1HH2 ARG 99 -6.147 -0.811 16.275 775 HH22 ARG 99 2HH2 ARG 99 -4.874 -0.748 17.448 776 H ALA 100 H ALA 100 -10.081 -5.969 11.277 777 HA ALA 100 HA ALA 100 -8.428 -4.861 9.113 778 HB1 ALA 100 1HB ALA 100 -8.396 -7.307 9.864 779 HB2 ALA 100 2HB ALA 100 -8.537 -7.032 8.128 780 HB3 ALA 100 3HB ALA 100 -9.963 -7.464 9.070 781 H SER 101 H SER 101 -9.200 -4.476 6.994 782 HA SER 101 HA SER 101 -12.164 -4.338 6.687 783 HB2 SER 101 2HB SER 101 -11.159 -2.087 7.249 784 HB3 SER 101 1HB SER 101 -10.240 -2.194 5.750 785 HG SER 101 HG SER 101 -13.028 -2.592 5.769 786 H GLU 102 H GLU 102 -12.684 -3.929 4.255 787 HA GLU 102 HA GLU 102 -10.876 -5.686 2.654 788 HB2 GLU 102 2HB GLU 102 -13.254 -6.418 2.966 789 HB3 GLU 102 1HB GLU 102 -13.765 -4.957 2.122 790 HG2 GLU 102 2HG GLU 102 -12.388 -5.662 0.159 791 HG3 GLU 102 1HG GLU 102 -12.032 -7.171 0.999 792 H ILE 103 H ILE 103 -10.033 -4.936 0.725 793 HA ILE 103 HA ILE 103 -10.767 -2.139 -0.052 794 HB ILE 103 HB ILE 103 -8.038 -3.450 -0.227 795 HG12 ILE 103 2HG1 ILE 103 -9.005 -1.198 1.561 796 HG13 ILE 103 1HG1 ILE 103 -8.798 -2.868 2.094 797 HG21 ILE 103 1HG2 ILE 103 -7.504 -1.775 -1.634 798 HG22 ILE 103 2HG2 ILE 103 -8.050 -0.587 -0.451 799 HG23 ILE 103 3HG2 ILE 103 -9.189 -1.252 -1.622 800 HD11 ILE 103 1HD1 ILE 103 -6.668 -0.961 1.109 801 HD12 ILE 103 2HD1 ILE 103 -6.393 -2.697 1.257 802 HD13 ILE 103 3HD1 ILE 103 -6.777 -1.738 2.688 803 H GLU 104 H GLU 104 -11.227 -1.843 -2.188 804 HA GLU 104 HA GLU 104 -10.903 -4.215 -3.982 805 HB2 GLU 104 2HB GLU 104 -13.262 -3.477 -3.532 806 HB3 GLU 104 1HB GLU 104 -12.866 -1.916 -4.250 807 HG2 GLU 104 2HG GLU 104 -12.211 -3.089 -6.352 808 HG3 GLU 104 1HG GLU 104 -12.732 -4.612 -5.631 809 H VAL 105 H VAL 105 -9.398 -3.941 -5.541 810 HA VAL 105 HA VAL 105 -8.838 -1.170 -6.482 811 HB VAL 105 HB VAL 105 -6.802 -3.368 -6.069 812 HG11 VAL 105 1HG1 VAL 105 -6.347 -1.721 -7.911 813 HG12 VAL 105 2HG1 VAL 105 -5.170 -1.636 -6.599 814 HG13 VAL 105 3HG1 VAL 105 -6.447 -0.426 -6.719 815 HG21 VAL 105 1HG2 VAL 105 -7.099 -2.723 -3.889 816 HG22 VAL 105 2HG2 VAL 105 -7.816 -1.174 -4.339 817 HG23 VAL 105 3HG2 VAL 105 -6.065 -1.383 -4.385 818 H ASP 106 H ASP 106 -8.607 -0.960 -8.729 819 HA ASP 106 HA ASP 106 -8.989 -3.490 -10.278 820 HB2 ASP 106 2HB ASP 106 -9.867 -0.677 -10.969 821 HB3 ASP 106 1HB ASP 106 -10.095 -2.094 -11.997 822 H PHE 107 H PHE 107 -7.438 -3.985 -11.765 823 HA PHE 107 HA PHE 107 -5.502 -1.836 -12.514 824 HB2 PHE 107 2HB PHE 107 -5.051 -4.800 -12.096 825 HB3 PHE 107 1HB PHE 107 -3.867 -3.710 -12.799 826 HD1 PHE 107 1HD PHE 107 -5.922 -4.274 -9.747 827 HD2 PHE 107 2HD PHE 107 -2.451 -2.410 -11.441 828 HE1 PHE 107 1HE PHE 107 -5.107 -3.735 -7.478 829 HE2 PHE 107 2HE PHE 107 -1.645 -1.838 -9.166 830 HZ PHE 107 HZ PHE 107 -2.969 -2.505 -7.179 831 H VAL 108 H VAL 108 -5.610 -1.374 -14.645 832 HA VAL 108 HA VAL 108 -6.336 -3.553 -16.543 833 HB VAL 108 HB VAL 108 -8.324 -2.390 -16.649 834 HG11 VAL 108 1HG1 VAL 108 -6.648 -0.137 -15.644 835 HG12 VAL 108 2HG1 VAL 108 -8.153 -0.781 -14.994 836 HG13 VAL 108 3HG1 VAL 108 -8.177 0.245 -16.430 837 HG21 VAL 108 1HG2 VAL 108 -6.954 -2.125 -18.829 838 HG22 VAL 108 2HG2 VAL 108 -6.720 -0.453 -18.317 839 HG23 VAL 108 3HG2 VAL 108 -8.347 -1.065 -18.615 840 HA PRO 109 HA PRO 109 -2.534 -1.874 -18.289 841 HB2 PRO 109 2HB PRO 109 -2.347 -3.453 -20.478 842 HB3 PRO 109 1HB PRO 109 -2.013 -4.052 -18.842 843 HG2 PRO 109 2HG PRO 109 -4.446 -4.391 -20.516 844 HG3 PRO 109 1HG PRO 109 -3.638 -5.553 -19.454 845 HD2 PRO 109 2HD PRO 109 -5.903 -4.155 -18.732 846 HD3 PRO 109 1HD PRO 109 -4.713 -4.781 -17.566 847 H ASN 110 H ASN 110 -2.382 -0.014 -19.409 848 HA ASN 110 HA ASN 110 -4.131 0.351 -21.791 849 HB2 ASN 110 2HB ASN 110 -4.639 1.832 -19.790 850 HB3 ASN 110 1HB ASN 110 -3.055 2.561 -20.044 851 HD21 ASN 110 1HD2 ASN 110 -5.081 4.341 -20.334 852 HD22 ASN 110 2HD2 ASN 110 -5.409 4.663 -21.967 853 H GLY 111 H GLY 111 -2.998 0.544 -23.667 854 HA2 GLY 111 2HA GLY 111 -1.153 0.800 -25.099 855 HA3 GLY 111 1HA GLY 111 -0.685 2.122 -24.030 856 H SER 112 H SER 112 1.381 0.763 -25.049 857 HA SER 112 HA SER 112 2.191 -1.577 -23.605 858 HB2 SER 112 2HB SER 112 4.401 -1.144 -24.499 859 HB3 SER 112 1HB SER 112 3.223 -0.751 -25.749 860 HG SER 112 HG SER 112 5.044 0.811 -25.064 861 H GLY 113 H GLY 113 2.175 1.811 -22.800 862 HA2 GLY 113 2HA GLY 113 3.392 1.113 -20.172 863 HA3 GLY 113 1HA GLY 113 4.015 2.503 -21.065 864 H GLY 114 H GLY 114 0.668 1.345 -20.459 865 HA2 GLY 114 2HA GLY 114 0.138 3.951 -19.112 866 HA3 GLY 114 1HA GLY 114 -0.960 3.365 -20.358 867 H THR 115 H THR 115 -0.928 3.674 -17.186 868 HA THR 115 HA THR 115 -2.326 1.074 -16.729 869 HB THR 115 HB THR 115 -1.258 2.039 -14.264 870 HG1 THR 115 1HG THR 115 0.240 3.120 -15.646 871 HG21 THR 115 1HG2 THR 115 -0.882 -0.388 -15.995 872 HG22 THR 115 2HG2 THR 115 -1.549 -0.260 -14.366 873 HG23 THR 115 3HG2 THR 115 0.189 -0.130 -14.623 874 H ARG 116 H ARG 116 -4.344 1.335 -15.997 875 HA ARG 116 HA ARG 116 -5.076 3.943 -14.731 876 HB2 ARG 116 2HB ARG 116 -6.363 3.688 -16.735 877 HB3 ARG 116 1HB ARG 116 -6.701 1.994 -16.382 878 HG2 ARG 116 2HG ARG 116 -8.308 2.489 -14.812 879 HG3 ARG 116 1HG ARG 116 -7.532 4.003 -14.342 880 HD2 ARG 116 2HD ARG 116 -9.583 4.528 -15.526 881 HD3 ARG 116 1HD ARG 116 -8.216 4.974 -16.546 882 HE ARG 116 HE ARG 116 -9.155 2.273 -17.079 883 HH11 ARG 116 1HH1 ARG 116 -10.172 1.964 -19.074 884 HH12 ARG 116 2HH1 ARG 116 -10.717 3.338 -19.976 885 HH21 ARG 116 1HH2 ARG 116 -9.627 5.644 -17.627 886 HH22 ARG 116 2HH2 ARG 116 -10.408 5.423 -19.157 887 H VAL 117 H VAL 117 -5.378 3.721 -12.550 888 HA VAL 117 HA VAL 117 -6.261 1.040 -11.563 889 HB VAL 117 HB VAL 117 -4.344 2.959 -10.230 890 HG11 VAL 117 1HG1 VAL 117 -5.464 0.257 -9.434 891 HG12 VAL 117 2HG1 VAL 117 -5.631 1.780 -8.562 892 HG13 VAL 117 3HG1 VAL 117 -4.058 0.988 -8.662 893 HG21 VAL 117 1HG2 VAL 117 -4.008 0.785 -12.145 894 HG22 VAL 117 2HG2 VAL 117 -3.145 0.460 -10.642 895 HG23 VAL 117 3HG2 VAL 117 -2.814 1.937 -11.548 896 H GLU 118 H GLU 118 -7.848 0.972 -10.063 897 HA GLU 118 HA GLU 118 -8.899 3.605 -9.068 898 HB2 GLU 118 2HB GLU 118 -10.484 1.076 -9.652 899 HB3 GLU 118 1HB GLU 118 -11.145 2.610 -9.094 900 HG2 GLU 118 2HG GLU 118 -10.333 3.699 -11.168 901 HG3 GLU 118 1HG GLU 118 -9.726 2.143 -11.733 902 H LEU 119 H LEU 119 -8.010 3.577 -6.981 903 HA LEU 119 HA LEU 119 -8.252 1.047 -5.431 904 HB2 LEU 119 2HB LEU 119 -6.013 2.203 -5.638 905 HB3 LEU 119 1HB LEU 119 -6.691 3.536 -4.710 906 HG LEU 119 HG LEU 119 -7.050 0.830 -3.534 907 HD11 LEU 119 1HD1 LEU 119 -4.364 2.180 -3.860 908 HD12 LEU 119 2HD1 LEU 119 -4.795 0.513 -4.242 909 HD13 LEU 119 3HD1 LEU 119 -4.689 1.034 -2.561 910 HD21 LEU 119 1HD2 LEU 119 -7.016 2.011 -1.537 911 HD22 LEU 119 2HD2 LEU 119 -7.562 3.288 -2.623 912 HD23 LEU 119 3HD2 LEU 119 -5.868 3.204 -2.143 913 H ALA 120 H ALA 120 -9.755 0.908 -3.829 914 HA ALA 120 HA ALA 120 -10.825 3.457 -2.699 915 HB1 ALA 120 1HB ALA 120 -12.999 2.916 -3.154 916 HB2 ALA 120 2HB ALA 120 -12.715 1.186 -2.958 917 HB3 ALA 120 3HB ALA 120 -12.264 1.990 -4.462 918 H HIS 121 H HIS 121 -10.320 3.424 -0.567 919 HA HIS 121 HA HIS 121 -10.282 0.800 0.855 920 HB2 HIS 121 2HB HIS 121 -8.683 1.672 2.249 921 HB3 HIS 121 1HB HIS 121 -8.428 2.801 0.921 922 HD1 HIS 121 1HD HIS 121 -8.959 2.826 4.436 923 HD2 HIS 121 2HD HIS 121 -10.410 5.154 1.297 924 HE1 HIS 121 1HE HIS 121 -9.781 4.992 5.472 925 HE2 HIS 121 2HE HIS 121 -10.669 6.412 3.567 926 H VAL 122 H VAL 122 -11.921 0.374 2.339 927 HA VAL 122 HA VAL 122 -13.629 2.687 3.135 928 HB VAL 122 HB VAL 122 -15.638 1.263 2.736 929 HG11 VAL 122 1HG1 VAL 122 -14.279 1.256 0.103 930 HG12 VAL 122 2HG1 VAL 122 -14.248 2.796 0.963 931 HG13 VAL 122 3HG1 VAL 122 -15.789 2.025 0.589 932 HG21 VAL 122 1HG2 VAL 122 -14.451 -0.570 0.877 933 HG22 VAL 122 2HG2 VAL 122 -15.372 -0.940 2.334 934 HG23 VAL 122 3HG2 VAL 122 -13.622 -0.738 2.425 935 H LYS 123 H LYS 123 -14.856 2.416 5.005 936 HA LYS 123 HA LYS 123 -15.166 1.795 7.231 937 HB2 LYS 123 2HB LYS 123 -14.613 -1.034 6.371 938 HB3 LYS 123 1HB LYS 123 -15.795 -0.442 7.540 939 HG2 LYS 123 2HG LYS 123 -15.891 -0.129 4.526 940 HG3 LYS 123 1HG LYS 123 -17.001 -1.051 5.537 941 HD2 LYS 123 2HD LYS 123 -17.695 1.069 6.655 942 HD3 LYS 123 1HD LYS 123 -16.651 1.968 5.555 943 HE2 LYS 123 2HE LYS 123 -18.239 1.955 3.981 944 HE3 LYS 123 1HE LYS 123 -18.276 0.192 4.008 945 HZ1 LYS 123 1HZ LYS 123 -20.113 0.175 5.257 946 HZ2 LYS 123 2HZ LYS 123 -20.305 1.792 4.775 947 HZ3 LYS 123 3HZ LYS 123 -19.573 1.428 6.264 948 H LEU 124 H LEU 124 -12.427 2.416 6.355 949 HA LEU 124 HA LEU 124 -10.622 0.605 7.725 950 HB2 LEU 124 2HB LEU 124 -10.211 2.524 5.901 951 HB3 LEU 124 1HB LEU 124 -9.944 3.481 7.358 952 HG LEU 124 HG LEU 124 -8.467 1.418 8.074 953 HD11 LEU 124 1HD1 LEU 124 -7.342 0.423 6.086 954 HD12 LEU 124 2HD1 LEU 124 -8.499 1.255 5.046 955 HD13 LEU 124 3HD1 LEU 124 -9.054 0.009 6.163 956 HD21 LEU 124 1HD2 LEU 124 -7.611 3.679 7.756 957 HD22 LEU 124 2HD2 LEU 124 -7.654 3.478 6.005 958 HD23 LEU 124 3HD2 LEU 124 -6.522 2.535 6.974 959 H HIS 125 H HIS 125 -12.397 3.543 8.464 960 HA HIS 125 HA HIS 125 -11.394 4.351 10.920 961 HB2 HIS 125 2HB HIS 125 -13.174 5.637 10.098 962 HB3 HIS 125 1HB HIS 125 -14.192 4.222 9.840 963 HD1 HIS 125 1HD HIS 125 -12.384 5.575 12.929 964 HD2 HIS 125 2HD HIS 125 -16.169 4.272 11.757 965 HE1 HIS 125 1HE HIS 125 -13.855 5.695 14.990 966 HE2 HIS 125 2HE HIS 125 -16.161 4.909 14.286 967 H ARG 126 H ARG 126 -12.617 1.295 10.172 968 HA ARG 126 HA ARG 126 -13.930 0.452 12.476 969 HB2 ARG 126 2HB ARG 126 -13.602 -1.010 10.535 970 HB3 ARG 126 1HB ARG 126 -11.874 -1.063 10.857 971 HG2 ARG 126 2HG ARG 126 -12.791 -3.095 11.740 972 HG3 ARG 126 1HG ARG 126 -12.437 -2.073 13.127 973 HD2 ARG 126 2HD ARG 126 -14.770 -1.407 13.293 974 HD3 ARG 126 1HD ARG 126 -15.160 -2.284 11.814 975 HE ARG 126 HE ARG 126 -14.806 -3.452 14.461 976 HH11 ARG 126 1HH1 ARG 126 -15.055 -5.695 14.583 977 HH12 ARG 126 2HH1 ARG 126 -15.048 -6.633 13.127 978 HH21 ARG 126 1HH2 ARG 126 -14.600 -3.894 11.049 979 HH22 ARG 126 2HH2 ARG 126 -14.791 -5.614 11.127 980 H HIS 127 H HIS 127 -10.488 1.081 12.021 981 HA HIS 127 HA HIS 127 -9.780 -0.054 14.618 982 HB2 HIS 127 2HB HIS 127 -7.632 1.414 14.136 983 HB3 HIS 127 1HB HIS 127 -7.913 -0.084 13.252 984 HD1 HIS 127 1HD HIS 127 -9.667 3.225 12.603 985 HD2 HIS 127 2HD HIS 127 -6.905 0.692 10.781 986 HE1 HIS 127 1HE HIS 127 -9.262 4.143 10.274 987 HE2 HIS 127 2HE HIS 127 -7.585 2.613 9.160 988 H GLY 128 H GLY 128 -10.918 3.012 13.464 989 HA2 GLY 128 2HA GLY 128 -11.811 4.718 14.873 990 HA3 GLY 128 1HA GLY 128 -10.994 3.978 16.248 991 H ASP 129 H ASP 129 -10.420 6.311 16.648 992 HA ASP 129 HA ASP 129 -8.646 7.744 14.915 993 HB2 ASP 129 2HB ASP 129 -9.083 7.923 17.909 994 HB3 ASP 129 1HB ASP 129 -8.125 9.076 16.978 995 H GLY 130 H GLY 130 -6.366 8.027 15.079 996 HA2 GLY 130 2HA GLY 130 -4.184 7.498 15.993 997 HA3 GLY 130 1HA GLY 130 -4.893 6.079 16.778 998 H ALA 131 H ALA 131 -6.339 5.783 14.001 999 HA ALA 131 HA ALA 131 -4.653 3.719 12.990 1000 HB1 ALA 131 1HB ALA 131 -7.125 3.935 12.598 1001 HB2 ALA 131 2HB ALA 131 -6.189 3.610 11.138 1002 HB3 ALA 131 3HB ALA 131 -6.777 5.240 11.466 1003 H TRP 132 H TRP 132 -5.079 7.132 12.040 1004 HA TRP 132 HA TRP 132 -3.496 7.031 9.696 1005 HB2 TRP 132 2HB TRP 132 -4.849 9.019 10.428 1006 HB3 TRP 132 1HB TRP 132 -3.594 9.367 11.623 1007 HD1 TRP 132 HD TRP 132 -1.208 10.115 10.722 1008 HE1 TRP 132 1HE TRP 132 -0.446 11.082 8.459 1009 HE3 TRP 132 3HE TRP 132 -5.308 9.017 7.852 1010 HZ2 TRP 132 2HZ TRP 132 -1.433 11.351 5.798 1011 HZ3 TRP 132 3HZ TRP 132 -5.356 9.644 5.460 1012 HH2 TRP 132 HH TRP 132 -3.428 10.810 4.428 1013 H ASN 133 H ASN 133 -2.574 7.191 13.098 1014 HA ASN 133 HA ASN 133 0.171 7.849 12.790 1015 HB2 ASN 133 2HB ASN 133 -1.165 7.459 14.967 1016 HB3 ASN 133 1HB ASN 133 -0.834 5.746 14.718 1017 HD21 ASN 133 1HD2 ASN 133 1.024 5.053 15.770 1018 HD22 ASN 133 2HD2 ASN 133 2.382 6.018 16.096 1019 H ILE 134 H ILE 134 -1.505 4.727 12.590 1020 HA ILE 134 HA ILE 134 0.790 3.123 12.065 1021 HB ILE 134 HB ILE 134 -2.119 2.860 11.331 1022 HG12 ILE 134 2HG1 ILE 134 -1.937 0.982 12.977 1023 HG13 ILE 134 1HG1 ILE 134 -0.264 1.457 13.271 1024 HG21 ILE 134 1HG2 ILE 134 -1.105 0.369 10.976 1025 HG22 ILE 134 2HG2 ILE 134 0.219 1.354 10.355 1026 HG23 ILE 134 3HG2 ILE 134 -1.395 1.506 9.661 1027 HD11 ILE 134 1HD1 ILE 134 -0.875 3.472 14.286 1028 HD12 ILE 134 2HD1 ILE 134 -2.150 2.387 14.840 1029 HD13 ILE 134 3HD1 ILE 134 -2.456 3.498 13.508 1030 H HIS 135 H HIS 135 -1.395 4.977 9.988 1031 HA HIS 135 HA HIS 135 -0.183 4.294 7.482 1032 HB2 HIS 135 2HB HIS 135 -2.368 5.362 7.501 1033 HB3 HIS 135 1HB HIS 135 -1.711 6.767 8.340 1034 HD1 HIS 135 1HD HIS 135 0.633 5.529 5.884 1035 HD2 HIS 135 2HD HIS 135 -2.611 8.142 5.856 1036 HE1 HIS 135 1HE HIS 135 0.842 6.870 3.756 1037 HE2 HIS 135 2HE HIS 135 -1.141 8.470 3.715 1038 H LYS 136 H LYS 136 0.570 6.636 9.995 1039 HA LYS 136 HA LYS 136 2.325 8.337 8.609 1040 HB2 LYS 136 2HB LYS 136 1.651 8.499 11.063 1041 HB3 LYS 136 1HB LYS 136 2.871 7.276 11.380 1042 HG2 LYS 136 2HG LYS 136 4.581 8.714 10.373 1043 HG3 LYS 136 1HG LYS 136 3.368 9.955 10.092 1044 HD2 LYS 136 2HD LYS 136 2.914 9.994 12.554 1045 HD3 LYS 136 1HD LYS 136 4.253 8.867 12.777 1046 HE2 LYS 136 2HE LYS 136 5.841 10.456 11.920 1047 HE3 LYS 136 1HE LYS 136 4.556 11.538 11.386 1048 HZ1 LYS 136 1HZ LYS 136 4.773 12.519 13.352 1049 HZ2 LYS 136 2HZ LYS 136 5.746 11.269 13.969 1050 HZ3 LYS 136 3HZ LYS 136 4.053 11.145 14.038 1051 H ALA 137 H ALA 137 2.808 5.052 9.822 1052 HA ALA 137 HA ALA 137 5.646 4.947 9.268 1053 HB1 ALA 137 1HB ALA 137 4.988 3.129 10.564 1054 HB2 ALA 137 2HB ALA 137 5.012 2.388 8.965 1055 HB3 ALA 137 3HB ALA 137 3.487 2.916 9.666 1056 H LEU 138 H LEU 138 2.737 4.092 7.403 1057 HA LEU 138 HA LEU 138 4.201 3.317 5.032 1058 HB2 LEU 138 2HB LEU 138 1.344 4.038 5.614 1059 HB3 LEU 138 1HB LEU 138 1.880 3.915 3.939 1060 HG LEU 138 HG LEU 138 2.283 1.744 6.017 1061 HD11 LEU 138 1HD1 LEU 138 -0.104 2.522 4.702 1062 HD12 LEU 138 2HD1 LEU 138 0.176 1.052 5.635 1063 HD13 LEU 138 3HD1 LEU 138 0.460 1.059 3.894 1064 HD21 LEU 138 1HD2 LEU 138 3.749 1.025 4.439 1065 HD22 LEU 138 2HD2 LEU 138 3.156 2.178 3.244 1066 HD23 LEU 138 3HD2 LEU 138 2.325 0.640 3.472 1067 H ASP 139 H ASP 139 3.209 6.310 6.448 1068 HA ASP 139 HA ASP 139 3.615 8.524 5.850 1069 HB2 ASP 139 2HB ASP 139 5.774 6.994 4.471 1070 HB3 ASP 139 1HB ASP 139 5.571 8.695 4.070 1071 H GLY 140 H GLY 140 1.725 9.130 4.826 1072 HA2 GLY 140 2HA GLY 140 1.806 9.053 1.839 1073 HA3 GLY 140 1HA GLY 140 0.299 8.770 2.710 1074 HA PRO 141 HA PRO 141 1.844 13.410 3.519 1075 HB2 PRO 141 2HB PRO 141 3.045 13.763 0.817 1076 HB3 PRO 141 1HB PRO 141 3.579 14.401 2.383 1077 HG2 PRO 141 2HG PRO 141 4.845 12.383 1.182 1078 HG3 PRO 141 1HG PRO 141 4.687 12.479 2.944 1079 HD2 PRO 141 2HD PRO 141 3.253 10.701 1.020 1080 HD3 PRO 141 1HD PRO 141 3.713 10.401 2.711 1081 H SER 142 H SER 142 0.287 14.943 3.103 1082 HA SER 142 HA SER 142 -1.892 14.378 1.366 1083 HB2 SER 142 2HB SER 142 -1.238 16.342 3.301 1084 HB3 SER 142 1HB SER 142 -1.673 17.210 1.831 1085 HG SER 142 HG SER 142 -3.512 16.726 3.083 1086 HA PRO 143 HA PRO 143 0.229 17.829 -1.471 1087 HB2 PRO 143 2HB PRO 143 3.043 17.010 -0.933 1088 HB3 PRO 143 1HB PRO 143 2.368 18.632 -1.198 1089 HG2 PRO 143 2HG PRO 143 3.100 17.818 1.225 1090 HG3 PRO 143 1HG PRO 143 1.674 18.845 0.984 1091 HD2 PRO 143 2HD PRO 143 1.808 15.917 1.589 1092 HD3 PRO 143 1HD PRO 143 0.611 17.124 2.111 1093 H GLY 144 H GLY 144 1.506 14.588 -0.912 1094 HA2 GLY 144 2HA GLY 144 1.153 14.028 -3.799 1095 HA3 GLY 144 1HA GLY 144 2.716 13.649 -3.066 1096 H GLU 145 H GLU 145 0.276 12.006 -4.122 1097 HA GLU 145 HA GLU 145 -0.210 10.379 -1.689 1098 HB2 GLU 145 2HB GLU 145 -1.502 10.277 -4.419 1099 HB3 GLU 145 1HB GLU 145 -1.950 9.262 -3.051 1100 HG2 GLU 145 2HG GLU 145 -2.455 11.331 -1.743 1101 HG3 GLU 145 1HG GLU 145 -2.128 12.285 -3.190 1102 H THR 146 H THR 146 -0.316 7.909 -2.250 1103 HA THR 146 HA THR 146 2.289 7.023 -2.921 1104 HB THR 146 HB THR 146 -0.363 5.587 -2.956 1105 HG1 THR 146 1HG THR 146 0.017 5.466 -0.918 1106 HG21 THR 146 1HG2 THR 146 1.130 3.517 -2.867 1107 HG22 THR 146 2HG2 THR 146 2.437 4.568 -3.412 1108 HG23 THR 146 3HG2 THR 146 1.011 4.335 -4.427 1109 H LEU 147 H LEU 147 -0.592 7.441 -4.907 1110 HA LEU 147 HA LEU 147 0.351 6.146 -7.249 1111 HB2 LEU 147 2HB LEU 147 -1.496 8.537 -7.046 1112 HB3 LEU 147 1HB LEU 147 -1.339 7.447 -8.418 1113 HG LEU 147 HG LEU 147 -1.819 5.574 -6.639 1114 HD11 LEU 147 1HD1 LEU 147 -2.289 6.344 -4.576 1115 HD12 LEU 147 2HD1 LEU 147 -3.783 6.994 -5.242 1116 HD13 LEU 147 3HD1 LEU 147 -2.356 8.016 -5.127 1117 HD21 LEU 147 1HD2 LEU 147 -4.395 6.299 -7.001 1118 HD22 LEU 147 2HD2 LEU 147 -3.406 5.620 -8.294 1119 HD23 LEU 147 3HD2 LEU 147 -3.627 7.366 -8.175 1120 H ALA 148 H ALA 148 0.867 9.388 -5.967 1121 HA ALA 148 HA ALA 148 2.091 10.443 -8.367 1122 HB1 ALA 148 1HB ALA 148 3.012 11.844 -6.060 1123 HB2 ALA 148 2HB ALA 148 1.317 11.428 -5.804 1124 HB3 ALA 148 3HB ALA 148 1.790 12.352 -7.229 1125 H ARG 149 H ARG 149 3.508 9.454 -5.230 1126 HA ARG 149 HA ARG 149 6.197 9.870 -6.067 1127 HB2 ARG 149 2HB ARG 149 6.773 8.424 -4.097 1128 HB3 ARG 149 1HB ARG 149 5.686 9.758 -3.718 1129 HG2 ARG 149 2HG ARG 149 4.276 8.237 -2.838 1130 HG3 ARG 149 1HG ARG 149 4.000 7.652 -4.476 1131 HD2 ARG 149 2HD ARG 149 4.689 5.781 -3.072 1132 HD3 ARG 149 1HD ARG 149 5.971 6.137 -4.229 1133 HE ARG 149 HE ARG 149 6.783 7.615 -2.107 1134 HH11 ARG 149 1HH1 ARG 149 7.936 6.848 -0.322 1135 HH12 ARG 149 2HH1 ARG 149 7.768 5.191 0.154 1136 HH21 ARG 149 1HH2 ARG 149 5.532 4.411 -2.376 1137 HH22 ARG 149 2HH2 ARG 149 6.408 3.813 -1.006 1138 H PHE 150 H PHE 150 4.266 6.851 -6.006 1139 HA PHE 150 HA PHE 150 6.499 5.291 -7.005 1140 HB2 PHE 150 2HB PHE 150 5.219 3.530 -6.459 1141 HB3 PHE 150 1HB PHE 150 4.073 4.701 -5.802 1142 HD1 PHE 150 1HD PHE 150 4.484 2.068 -8.118 1143 HD2 PHE 150 2HD PHE 150 2.508 5.833 -7.591 1144 HE1 PHE 150 1HE PHE 150 2.824 1.435 -9.848 1145 HE2 PHE 150 2HE PHE 150 0.832 5.205 -9.306 1146 HZ PHE 150 HZ PHE 150 1.004 3.004 -10.443 1147 H ALA 151 H ALA 151 3.728 6.900 -8.539 1148 HA ALA 151 HA ALA 151 4.094 5.623 -11.105 1149 HB1 ALA 151 1HB ALA 151 2.653 7.410 -11.977 1150 HB2 ALA 151 2HB ALA 151 2.839 8.307 -10.471 1151 HB3 ALA 151 3HB ALA 151 1.989 6.762 -10.481 1152 H ASN 152 H ASN 152 5.223 8.694 -9.743 1153 HA ASN 152 HA ASN 152 6.468 9.699 -12.096 1154 HB2 ASN 152 2HB ASN 152 7.176 11.395 -10.752 1155 HB3 ASN 152 1HB ASN 152 6.095 10.644 -9.578 1156 HD21 ASN 152 1HD2 ASN 152 7.047 9.338 -7.876 1157 HD22 ASN 152 2HD2 ASN 152 8.714 9.388 -7.547 1158 H VAL 153 H VAL 153 7.818 7.715 -9.470 1159 HA VAL 153 HA VAL 153 10.472 7.618 -10.545 1160 HB VAL 153 HB VAL 153 10.692 5.572 -9.078 1161 HG11 VAL 153 1HG1 VAL 153 9.685 7.145 -7.027 1162 HG12 VAL 153 2HG1 VAL 153 10.011 8.313 -8.306 1163 HG13 VAL 153 3HG1 VAL 153 11.305 7.271 -7.712 1164 HG21 VAL 153 1HG2 VAL 153 7.773 6.206 -8.638 1165 HG22 VAL 153 2HG2 VAL 153 8.715 5.237 -7.523 1166 HG23 VAL 153 3HG2 VAL 153 8.469 4.682 -9.173 1167 H ILE 154 H ILE 154 7.641 5.511 -10.990 1168 HA ILE 154 HA ILE 154 9.005 3.500 -12.469 1169 HB ILE 154 HB ILE 154 6.118 4.378 -12.436 1170 HG12 ILE 154 2HG1 ILE 154 7.513 1.929 -11.347 1171 HG13 ILE 154 1HG1 ILE 154 7.102 3.336 -10.388 1172 HG21 ILE 154 1HG2 ILE 154 7.469 2.132 -13.929 1173 HG22 ILE 154 2HG2 ILE 154 6.417 3.387 -14.580 1174 HG23 ILE 154 3HG2 ILE 154 5.746 2.119 -13.558 1175 HD11 ILE 154 1HD1 ILE 154 5.065 1.727 -11.940 1176 HD12 ILE 154 2HD1 ILE 154 4.744 3.025 -10.793 1177 HD13 ILE 154 3HD1 ILE 154 5.405 1.492 -10.226 1178 HBB 96F 201 HBB SUM 155 -2.770 10.997 0.282 1179 HBC 96F 201 HBC SUM 155 -1.011 11.240 0.146 1180 HBA 96F 201 HBA SUM 155 -1.749 10.937 1.737 1181 HA2 96F 201 2HA SUM 155 -1.351 8.733 1.431 1182 HA1 96F 201 1HA SUM 155 -0.796 9.024 -0.233 1183 HAY 96F 201 HAY SUM 155 -4.934 8.307 0.596 1184 HAZ 96F 201 HAZ SUM 155 -4.107 9.709 1.319 1185 HA0 96F 201 0HA SUM 155 -3.708 8.065 1.866 1186 HBE 96F 201 HBE SUM 155 -3.874 10.069 -0.971 1187 H1 96F 201 HAV SUM 155 -4.097 7.230 -2.128 1188 HAS 96F 201 HAS SUM 155 -5.972 5.193 -2.755 1189 HAT 96F 201 HAT SUM 155 -6.275 5.558 -4.472 1190 HAU 96F 201 HAU SUM 155 -5.207 6.611 -3.515 1191 HAK 96F 201 HAK SUM 155 -5.112 4.524 -6.056 1192 HAF 96F 201 HAF SUM 155 -2.534 2.320 -9.479 1193 HAE 96F 201 HAE SUM 155 -0.484 1.129 -10.187 1194 HAD 96F 201 HAD SUM 155 1.331 0.696 -8.546 1195 HAR 96F 201 HAR SUM 155 1.035 0.539 -5.514 1196 HAQ 96F 201 HAQ SUM 155 -2.231 2.354 -2.248 Start of MODEL 14 1 H MET 1 1HT MET 1 -3.326 15.359 5.700 2 HA MET 1 HA MET 1 -4.318 12.608 5.412 3 HB2 MET 1 2HB MET 1 -2.316 12.390 7.082 4 HB3 MET 1 1HB MET 1 -1.974 12.707 5.381 5 HG2 MET 1 2HG MET 1 -1.593 15.025 5.785 6 HG3 MET 1 1HG MET 1 -2.296 14.933 7.400 7 HE1 MET 1 1HE MET 1 0.121 16.350 7.885 8 HE2 MET 1 2HE MET 1 0.907 15.339 9.095 9 HE3 MET 1 3HE MET 1 -0.850 15.486 9.086 10 HA PRO 2 HA PRO 2 -6.650 14.330 9.089 11 HB2 PRO 2 2HB PRO 2 -8.636 12.352 8.157 12 HB3 PRO 2 1HB PRO 2 -8.850 14.070 8.537 13 HG2 PRO 2 2HG PRO 2 -8.897 13.122 6.021 14 HG3 PRO 2 1HG PRO 2 -8.311 14.744 6.427 15 HD2 PRO 2 2HD PRO 2 -6.746 12.302 5.702 16 HD3 PRO 2 1HD PRO 2 -6.388 14.015 5.375 17 H GLU 3 H GLU 3 -6.896 13.282 11.098 18 HA GLU 3 HA GLU 3 -5.391 10.901 11.557 19 HB2 GLU 3 2HB GLU 3 -7.513 12.249 13.255 20 HB3 GLU 3 1HB GLU 3 -6.440 10.971 13.821 21 HG2 GLU 3 2HG GLU 3 -4.481 12.390 13.256 22 HG3 GLU 3 1HG GLU 3 -5.581 13.680 12.767 23 H GLU 4 H GLU 4 -8.768 11.462 10.806 24 HA GLU 4 HA GLU 4 -9.458 8.637 11.360 25 HB2 GLU 4 2HB GLU 4 -11.010 10.510 11.975 26 HB3 GLU 4 1HB GLU 4 -11.196 10.843 10.255 27 HG2 GLU 4 2HG GLU 4 -11.989 8.507 9.914 28 HG3 GLU 4 1HG GLU 4 -11.890 8.248 11.658 29 H ILE 5 H ILE 5 -9.970 7.158 9.732 30 HA ILE 5 HA ILE 5 -9.447 8.078 6.935 31 HB ILE 5 HB ILE 5 -9.134 5.209 7.466 32 HG12 ILE 5 2HG1 ILE 5 -8.284 6.162 9.602 33 HG13 ILE 5 1HG1 ILE 5 -7.034 5.378 8.651 34 HG21 ILE 5 1HG2 ILE 5 -8.486 6.205 5.362 35 HG22 ILE 5 2HG2 ILE 5 -7.043 5.628 6.196 36 HG23 ILE 5 3HG2 ILE 5 -7.429 7.346 6.193 37 HD11 ILE 5 1HD1 ILE 5 -7.380 8.193 7.974 38 HD12 ILE 5 2HD1 ILE 5 -5.909 7.297 8.350 39 HD13 ILE 5 3HD1 ILE 5 -6.906 7.945 9.654 40 HA PRO 6 HA PRO 6 -13.717 6.390 6.942 41 HB2 PRO 6 2HB PRO 6 -14.799 8.292 5.308 42 HB3 PRO 6 1HB PRO 6 -14.624 8.508 7.060 43 HG2 PRO 6 2HG PRO 6 -13.062 9.678 4.848 44 HG3 PRO 6 1HG PRO 6 -13.392 10.317 6.465 45 HD2 PRO 6 2HD PRO 6 -10.995 9.088 5.619 46 HD3 PRO 6 1HD PRO 6 -11.453 9.450 7.296 47 H ASP 7 H ASP 7 -15.069 5.678 4.985 48 HA ASP 7 HA ASP 7 -13.388 4.367 3.080 49 HB2 ASP 7 2HB ASP 7 -15.546 3.831 1.923 50 HB3 ASP 7 1HB ASP 7 -15.555 3.433 3.640 51 H VAL 8 H VAL 8 -12.507 5.134 1.256 52 HA VAL 8 HA VAL 8 -13.804 7.427 -0.136 53 HB VAL 8 HB VAL 8 -11.736 8.628 -0.345 54 HG11 VAL 8 1HG1 VAL 8 -11.594 9.404 1.808 55 HG12 VAL 8 2HG1 VAL 8 -11.423 7.788 2.491 56 HG13 VAL 8 3HG1 VAL 8 -13.015 8.380 2.015 57 HG21 VAL 8 1HG2 VAL 8 -9.986 7.172 -0.660 58 HG22 VAL 8 2HG2 VAL 8 -10.603 6.017 0.519 59 HG23 VAL 8 3HG2 VAL 8 -9.753 7.462 1.064 60 H ARG 9 H ARG 9 -13.611 7.311 -2.391 61 HA ARG 9 HA ARG 9 -12.000 5.021 -3.457 62 HB2 ARG 9 2HB ARG 9 -14.461 4.578 -3.516 63 HB3 ARG 9 1HB ARG 9 -14.657 6.014 -4.525 64 HG2 ARG 9 2HG ARG 9 -13.090 5.020 -6.188 65 HG3 ARG 9 1HG ARG 9 -13.008 3.562 -5.200 66 HD2 ARG 9 2HD ARG 9 -15.536 4.713 -6.420 67 HD3 ARG 9 1HD ARG 9 -14.656 3.311 -7.027 68 HE ARG 9 HE ARG 9 -15.503 3.115 -4.219 69 HH11 ARG 9 1HH1 ARG 9 -16.961 1.439 -3.801 70 HH12 ARG 9 2HH1 ARG 9 -17.729 0.627 -5.123 71 HH21 ARG 9 1HH2 ARG 9 -16.151 2.530 -7.555 72 HH22 ARG 9 2HH2 ARG 9 -17.271 1.244 -7.249 73 H LYS 10 H LYS 10 -10.417 5.761 -4.775 74 HA LYS 10 HA LYS 10 -10.996 8.132 -6.488 75 HB2 LYS 10 2HB LYS 10 -8.490 7.720 -4.829 76 HB3 LYS 10 1HB LYS 10 -8.726 9.011 -6.011 77 HG2 LYS 10 2HG LYS 10 -10.720 9.775 -4.712 78 HG3 LYS 10 1HG LYS 10 -10.354 8.554 -3.494 79 HD2 LYS 10 2HD LYS 10 -8.094 9.584 -3.204 80 HD3 LYS 10 1HD LYS 10 -8.571 10.861 -4.324 81 HE2 LYS 10 2HE LYS 10 -9.283 11.935 -2.450 82 HE3 LYS 10 1HE LYS 10 -10.679 10.865 -2.576 83 HZ1 LYS 10 1HZ LYS 10 -8.729 9.385 -1.328 84 HZ2 LYS 10 2HZ LYS 10 -10.105 10.072 -0.604 85 HZ3 LYS 10 3HZ LYS 10 -8.631 10.918 -0.608 86 H SER 11 H SER 11 -9.914 8.098 -8.501 87 HA SER 11 HA SER 11 -8.186 5.731 -9.047 88 HB2 SER 11 2HB SER 11 -9.378 5.321 -11.152 89 HB3 SER 11 1HB SER 11 -10.493 5.200 -9.790 90 HG SER 11 HG SER 11 -11.350 7.135 -10.316 91 H VAL 12 H VAL 12 -6.633 6.091 -10.694 92 HA VAL 12 HA VAL 12 -6.620 8.711 -12.056 93 HB VAL 12 HB VAL 12 -4.487 7.828 -10.120 94 HG11 VAL 12 1HG1 VAL 12 -3.359 9.990 -10.990 95 HG12 VAL 12 2HG1 VAL 12 -4.400 9.796 -12.401 96 HG13 VAL 12 3HG1 VAL 12 -3.229 8.543 -11.989 97 HG21 VAL 12 1HG2 VAL 12 -4.883 10.109 -9.212 98 HG22 VAL 12 2HG2 VAL 12 -6.348 9.127 -9.178 99 HG23 VAL 12 3HG2 VAL 12 -6.136 10.352 -10.430 100 H VAL 13 H VAL 13 -5.099 8.768 -13.836 101 HA VAL 13 HA VAL 13 -4.418 6.034 -14.791 102 HB VAL 13 HB VAL 13 -4.545 8.638 -16.344 103 HG11 VAL 13 1HG1 VAL 13 -4.443 7.195 -18.311 104 HG12 VAL 13 2HG1 VAL 13 -4.423 5.758 -17.288 105 HG13 VAL 13 3HG1 VAL 13 -3.052 6.867 -17.277 106 HG21 VAL 13 1HG2 VAL 13 -6.557 6.821 -17.155 107 HG22 VAL 13 2HG2 VAL 13 -6.783 8.358 -16.319 108 HG23 VAL 13 3HG2 VAL 13 -6.620 6.865 -15.393 109 H VAL 14 H VAL 14 -2.295 5.460 -14.973 110 HA VAL 14 HA VAL 14 -0.247 7.633 -14.804 111 HB VAL 14 HB VAL 14 1.108 6.137 -13.365 112 HG11 VAL 14 1HG1 VAL 14 -0.209 7.733 -12.175 113 HG12 VAL 14 2HG1 VAL 14 -0.490 6.196 -11.359 114 HG13 VAL 14 3HG1 VAL 14 -1.697 6.837 -12.474 115 HG21 VAL 14 1HG2 VAL 14 -1.321 4.372 -13.699 116 HG22 VAL 14 2HG2 VAL 14 -0.226 4.188 -12.329 117 HG23 VAL 14 3HG2 VAL 14 0.372 3.961 -13.973 118 H ALA 15 H ALA 15 1.904 6.917 -15.664 119 HA ALA 15 HA ALA 15 1.508 5.372 -18.124 120 HB1 ALA 15 1HB ALA 15 3.556 6.247 -18.822 121 HB2 ALA 15 2HB ALA 15 4.190 6.331 -17.178 122 HB3 ALA 15 3HB ALA 15 2.994 7.508 -17.724 123 H ALA 16 H ALA 16 1.231 3.182 -17.454 124 HA ALA 16 HA ALA 16 3.628 1.686 -17.013 125 HB1 ALA 16 1HB ALA 16 2.036 1.243 -14.598 126 HB2 ALA 16 2HB ALA 16 2.709 2.871 -14.678 127 HB3 ALA 16 3HB ALA 16 3.777 1.471 -14.766 128 H SER 17 H SER 17 3.111 -0.656 -16.670 129 HA SER 17 HA SER 17 0.452 -1.297 -17.835 130 HB2 SER 17 2HB SER 17 2.949 -3.009 -17.604 131 HB3 SER 17 1HB SER 17 1.457 -3.475 -18.415 132 HG SER 17 HG SER 17 1.784 -1.639 -19.791 133 H VAL 18 H VAL 18 -0.850 -2.929 -16.755 134 HA VAL 18 HA VAL 18 -0.886 -2.806 -13.949 135 HB VAL 18 HB VAL 18 -2.351 -4.806 -14.063 136 HG11 VAL 18 1HG1 VAL 18 -3.035 -2.412 -14.728 137 HG12 VAL 18 2HG1 VAL 18 -4.084 -3.726 -15.270 138 HG13 VAL 18 3HG1 VAL 18 -2.943 -2.987 -16.389 139 HG21 VAL 18 1HG2 VAL 18 -2.800 -5.536 -16.540 140 HG22 VAL 18 2HG2 VAL 18 -1.412 -6.215 -15.689 141 HG23 VAL 18 3HG2 VAL 18 -1.183 -4.895 -16.835 142 H GLU 19 H GLU 19 0.742 -5.138 -16.066 143 HA GLU 19 HA GLU 19 1.617 -6.921 -14.024 144 HB2 GLU 19 2HB GLU 19 2.867 -6.159 -16.668 145 HB3 GLU 19 1HB GLU 19 3.431 -7.485 -15.664 146 HG2 GLU 19 2HG GLU 19 1.174 -8.517 -15.794 147 HG3 GLU 19 1HG GLU 19 0.661 -7.209 -16.862 148 H HIS 20 H HIS 20 2.972 -3.939 -15.347 149 HA HIS 20 HA HIS 20 5.427 -3.978 -13.877 150 HB2 HIS 20 2HB HIS 20 5.254 -2.421 -15.688 151 HB3 HIS 20 1HB HIS 20 3.791 -1.701 -15.011 152 HD1 HIS 20 1HD HIS 20 7.499 -1.663 -14.733 153 HD2 HIS 20 2HD HIS 20 4.254 -0.070 -12.638 154 HE1 HIS 20 1HE HIS 20 8.440 0.057 -13.136 155 HE2 HIS 20 2HE HIS 20 6.477 1.050 -11.884 156 H CYS 21 H CYS 21 2.248 -2.567 -13.164 157 HA CYS 21 HA CYS 21 2.843 -1.203 -10.805 158 HB2 CYS 21 2HB CYS 21 0.409 -2.788 -11.631 159 HB3 CYS 21 1HB CYS 21 0.470 -1.904 -10.111 160 HG CYS 21 HG CYS 21 0.449 0.296 -11.339 161 H PHE 22 H PHE 22 2.083 -4.660 -11.188 162 HA PHE 22 HA PHE 22 2.559 -5.077 -8.335 163 HB2 PHE 22 2HB PHE 22 1.406 -6.638 -10.509 164 HB3 PHE 22 1HB PHE 22 2.431 -7.599 -9.430 165 HD1 PHE 22 1HD PHE 22 -0.474 -5.326 -9.597 166 HD2 PHE 22 2HD PHE 22 1.890 -7.900 -7.104 167 HE1 PHE 22 1HE PHE 22 -2.159 -5.126 -7.802 168 HE2 PHE 22 2HE PHE 22 0.200 -7.716 -5.302 169 HZ PHE 22 HZ PHE 22 -1.822 -6.318 -5.654 170 H GLU 23 H GLU 23 4.377 -5.506 -11.310 171 HA GLU 23 HA GLU 23 6.416 -7.184 -10.238 172 HB2 GLU 23 2HB GLU 23 6.266 -6.616 -12.648 173 HB3 GLU 23 1HB GLU 23 6.696 -4.952 -12.261 174 HG2 GLU 23 2HG GLU 23 8.835 -5.741 -11.289 175 HG3 GLU 23 1HG GLU 23 8.416 -7.392 -11.755 176 H VAL 24 H VAL 24 5.942 -3.680 -10.216 177 HA VAL 24 HA VAL 24 8.383 -3.084 -8.830 178 HB VAL 24 HB VAL 24 5.796 -1.513 -9.037 179 HG11 VAL 24 1HG1 VAL 24 7.341 0.397 -8.486 180 HG12 VAL 24 2HG1 VAL 24 8.581 -0.790 -8.095 181 HG13 VAL 24 3HG1 VAL 24 7.090 -0.733 -7.157 182 HG21 VAL 24 1HG2 VAL 24 8.229 -1.853 -10.748 183 HG22 VAL 24 2HG2 VAL 24 7.556 -0.229 -10.610 184 HG23 VAL 24 3HG2 VAL 24 6.559 -1.547 -11.221 185 H PHE 25 H PHE 25 5.044 -3.675 -7.761 186 HA PHE 25 HA PHE 25 5.242 -2.952 -5.055 187 HB2 PHE 25 2HB PHE 25 3.750 -5.212 -6.399 188 HB3 PHE 25 1HB PHE 25 3.565 -4.844 -4.695 189 HD1 PHE 25 1HD PHE 25 1.128 -4.605 -5.389 190 HD2 PHE 25 2HD PHE 25 4.190 -1.876 -6.705 191 HE1 PHE 25 1HE PHE 25 -0.592 -2.923 -5.939 192 HE2 PHE 25 2HE PHE 25 2.462 -0.210 -7.243 193 HZ PHE 25 HZ PHE 25 0.078 -0.737 -6.864 194 H THR 26 H THR 26 6.095 -6.071 -6.551 195 HA THR 26 HA THR 26 7.131 -6.987 -3.963 196 HB THR 26 HB THR 26 7.418 -9.134 -5.046 197 HG1 THR 26 1HG THR 26 7.586 -9.286 -7.132 198 HG21 THR 26 1HG2 THR 26 4.928 -8.941 -6.271 199 HG22 THR 26 2HG2 THR 26 4.914 -7.647 -5.073 200 HG23 THR 26 3HG2 THR 26 5.224 -9.310 -4.571 201 H SER 27 H SER 27 8.374 -5.141 -6.442 202 HA SER 27 HA SER 27 11.067 -6.362 -6.277 203 HB2 SER 27 2HB SER 27 10.129 -5.586 -8.475 204 HB3 SER 27 1HB SER 27 10.238 -3.940 -7.865 205 HG SER 27 HG SER 27 12.544 -4.940 -7.345 206 H ARG 28 H ARG 28 9.563 -3.139 -5.597 207 HA ARG 28 HA ARG 28 11.237 -2.735 -3.298 208 HB2 ARG 28 2HB ARG 28 12.625 -0.849 -4.397 209 HB3 ARG 28 1HB ARG 28 13.128 -2.511 -4.677 210 HG2 ARG 28 2HG ARG 28 13.189 -1.511 -6.825 211 HG3 ARG 28 1HG ARG 28 11.676 -2.396 -6.822 212 HD2 ARG 28 2HD ARG 28 10.404 -0.425 -6.501 213 HD3 ARG 28 1HD ARG 28 11.829 0.517 -6.052 214 HE ARG 28 HE ARG 28 10.917 0.030 -8.746 215 HH11 ARG 28 1HH1 ARG 28 12.251 0.765 -10.416 216 HH12 ARG 28 2HH1 ARG 28 13.906 1.146 -10.080 217 HH21 ARG 28 1HH2 ARG 28 13.684 0.344 -6.713 218 HH22 ARG 28 2HH2 ARG 28 14.719 0.908 -7.983 219 HA PRO 29 HA PRO 29 7.647 0.263 -4.296 220 HB2 PRO 29 2HB PRO 29 6.579 -0.255 -1.711 221 HB3 PRO 29 1HB PRO 29 5.902 -0.745 -3.272 222 HG2 PRO 29 2HG PRO 29 7.403 -2.310 -1.311 223 HG3 PRO 29 1HG PRO 29 6.305 -2.846 -2.585 224 HD2 PRO 29 2HD PRO 29 9.040 -3.174 -2.702 225 HD3 PRO 29 1HD PRO 29 7.999 -3.070 -4.131 226 H ALA 30 H ALA 30 9.905 -0.270 -1.653 227 HA ALA 30 HA ALA 30 9.428 2.397 -0.522 228 HB1 ALA 30 1HB ALA 30 10.054 0.782 1.091 229 HB2 ALA 30 2HB ALA 30 11.497 1.771 0.863 230 HB3 ALA 30 3HB ALA 30 11.385 0.190 0.096 231 H ASP 31 H ASP 31 12.045 0.796 -2.314 232 HA ASP 31 HA ASP 31 13.886 2.926 -2.352 233 HB2 ASP 31 2HB ASP 31 14.086 0.467 -3.230 234 HB3 ASP 31 1HB ASP 31 13.568 1.175 -4.760 235 H TRP 32 H TRP 32 10.810 2.932 -3.854 236 HA TRP 32 HA TRP 32 11.149 4.172 -6.302 237 HB2 TRP 32 2HB TRP 32 9.175 4.676 -4.105 238 HB3 TRP 32 1HB TRP 32 9.206 5.772 -5.479 239 HD1 TRP 32 HD TRP 32 9.667 3.718 -7.842 240 HE1 TRP 32 1HE TRP 32 7.815 2.058 -8.467 241 HE3 TRP 32 3HE TRP 32 7.007 3.719 -3.508 242 HZ2 TRP 32 2HZ TRP 32 5.495 0.873 -7.270 243 HZ3 TRP 32 3HZ TRP 32 4.996 2.308 -3.266 244 HH2 TRP 32 HH TRP 32 4.224 0.895 -5.138 245 H TRP 33 H TRP 33 11.637 5.665 -3.120 246 HA TRP 33 HA TRP 33 12.070 8.318 -4.113 247 HB2 TRP 33 2HB TRP 33 11.906 7.166 -1.618 248 HB3 TRP 33 1HB TRP 33 13.619 7.575 -1.725 249 HD1 TRP 33 HD TRP 33 14.031 9.848 -0.698 250 HE1 TRP 33 1HE TRP 33 12.820 12.123 -0.679 251 HE3 TRP 33 3HE TRP 33 9.866 8.651 -3.398 252 HZ2 TRP 33 2HZ TRP 33 10.403 13.283 -1.677 253 HZ3 TRP 33 3HZ TRP 33 8.127 10.358 -3.849 254 HH2 TRP 33 HH TRP 33 8.389 12.670 -2.993 255 HA PRO 34 HA PRO 34 16.101 7.608 -5.910 256 HB2 PRO 34 2HB PRO 34 16.943 10.188 -6.176 257 HB3 PRO 34 1HB PRO 34 15.702 9.468 -7.220 258 HG2 PRO 34 2HG PRO 34 15.388 11.281 -4.883 259 HG3 PRO 34 1HG PRO 34 14.502 11.251 -6.418 260 HD2 PRO 34 2HD PRO 34 13.510 10.193 -4.079 261 HD3 PRO 34 1HD PRO 34 13.041 9.623 -5.697 262 HA PRO 35 HA PRO 35 18.971 7.669 -2.517 263 HB2 PRO 35 2HB PRO 35 21.358 7.827 -3.906 264 HB3 PRO 35 1HB PRO 35 20.426 6.335 -3.682 265 HG2 PRO 35 2HG PRO 35 20.578 8.139 -6.037 266 HG3 PRO 35 1HG PRO 35 20.441 6.375 -5.969 267 HD2 PRO 35 2HD PRO 35 18.319 7.993 -6.540 268 HD3 PRO 35 1HD PRO 35 18.139 6.425 -5.720 269 H SER 36 H SER 36 19.739 9.294 -1.197 270 HA SER 36 HA SER 36 20.970 11.693 -2.394 271 HB2 SER 36 2HB SER 36 19.431 13.254 -1.381 272 HB3 SER 36 1HB SER 36 18.482 12.111 -2.326 273 HG SER 36 HG SER 36 19.011 11.424 0.312 274 H HIS 37 H HIS 37 22.005 13.048 -0.728 275 HA HIS 37 HA HIS 37 23.413 11.569 1.228 276 HB2 HIS 37 2HB HIS 37 22.793 14.540 1.155 277 HB3 HIS 37 1HB HIS 37 24.007 13.791 2.193 278 HD1 HIS 37 1HD HIS 37 23.319 14.726 -1.367 279 HD2 HIS 37 2HD HIS 37 26.334 12.841 0.815 280 HE1 HIS 37 1HE HIS 37 25.325 14.558 -2.910 281 HE2 HIS 37 2HE HIS 37 27.164 13.412 -1.591 282 H VAL 38 H VAL 38 20.338 13.278 1.414 283 HA VAL 38 HA VAL 38 20.133 12.926 4.317 284 HB VAL 38 HB VAL 38 17.891 13.906 4.041 285 HG11 VAL 38 1HG1 VAL 38 19.422 15.639 4.204 286 HG12 VAL 38 2HG1 VAL 38 18.737 15.982 2.616 287 HG13 VAL 38 3HG1 VAL 38 20.286 15.151 2.747 288 HG21 VAL 38 1HG2 VAL 38 17.286 12.802 1.929 289 HG22 VAL 38 2HG2 VAL 38 18.531 13.719 1.078 290 HG23 VAL 38 3HG2 VAL 38 17.134 14.551 1.763 291 H LEU 39 H LEU 39 18.940 11.348 5.364 292 HA LEU 39 HA LEU 39 18.238 8.974 3.777 293 HB2 LEU 39 2HB LEU 39 19.418 8.801 5.981 294 HB3 LEU 39 1HB LEU 39 17.975 9.443 6.762 295 HG LEU 39 HG LEU 39 16.661 7.550 5.766 296 HD11 LEU 39 1HD1 LEU 39 18.492 5.603 5.229 297 HD12 LEU 39 2HD1 LEU 39 19.323 7.017 4.582 298 HD13 LEU 39 3HD1 LEU 39 17.720 6.590 3.988 299 HD21 LEU 39 1HD2 LEU 39 17.023 6.582 7.766 300 HD22 LEU 39 2HD2 LEU 39 18.497 7.535 7.946 301 HD23 LEU 39 3HD2 LEU 39 18.563 5.943 7.191 302 H VAL 40 H VAL 40 16.132 8.179 3.512 303 HA VAL 40 HA VAL 40 13.990 9.890 3.178 304 HB VAL 40 HB VAL 40 12.504 7.889 3.511 305 HG11 VAL 40 1HG1 VAL 40 14.227 6.445 1.916 306 HG12 VAL 40 2HG1 VAL 40 14.838 8.090 1.737 307 HG13 VAL 40 3HG1 VAL 40 13.157 7.726 1.348 308 HG21 VAL 40 1HG2 VAL 40 14.949 6.217 3.946 309 HG22 VAL 40 2HG2 VAL 40 13.280 5.899 4.415 310 HG23 VAL 40 3HG2 VAL 40 14.256 7.034 5.345 311 H LYS 41 H LYS 41 12.296 10.680 4.483 312 HA LYS 41 HA LYS 41 12.918 11.255 7.203 313 HB2 LYS 41 2HB LYS 41 10.242 11.301 5.792 314 HB3 LYS 41 1HB LYS 41 10.566 12.039 7.359 315 HG2 LYS 41 2HG LYS 41 12.399 13.380 6.234 316 HG3 LYS 41 1HG LYS 41 11.795 12.777 4.691 317 HD2 LYS 41 2HD LYS 41 10.128 14.291 6.722 318 HD3 LYS 41 1HD LYS 41 10.844 15.007 5.278 319 HE2 LYS 41 2HE LYS 41 8.857 14.458 4.309 320 HE3 LYS 41 1HE LYS 41 9.563 12.845 4.205 321 HZ1 LYS 41 1HZ LYS 41 8.248 13.594 6.704 322 HZ2 LYS 41 2HZ LYS 41 8.327 12.084 5.929 323 HZ3 LYS 41 3HZ LYS 41 7.256 13.277 5.366 324 H LYS 42 H LYS 42 10.990 8.695 5.716 325 HA LYS 42 HA LYS 42 10.216 7.643 8.365 326 HB2 LYS 42 2HB LYS 42 9.024 7.577 5.876 327 HB3 LYS 42 1HB LYS 42 9.716 5.964 5.996 328 HG2 LYS 42 2HG LYS 42 7.944 7.255 8.095 329 HG3 LYS 42 1HG LYS 42 7.397 6.079 6.906 330 HD2 LYS 42 2HD LYS 42 9.472 5.612 9.067 331 HD3 LYS 42 1HD LYS 42 7.850 4.942 9.022 332 HE2 LYS 42 2HE LYS 42 10.230 4.232 7.348 333 HE3 LYS 42 1HE LYS 42 9.086 3.170 8.162 334 HZ1 LYS 42 1HZ LYS 42 7.456 3.589 6.552 335 HZ2 LYS 42 2HZ LYS 42 8.887 3.348 5.667 336 HZ3 LYS 42 3HZ LYS 42 8.291 4.920 5.912 337 H GLU 43 H GLU 43 11.127 5.750 9.255 338 HA GLU 43 HA GLU 43 13.793 5.067 8.381 339 HB2 GLU 43 2HB GLU 43 11.959 3.737 10.382 340 HB3 GLU 43 1HB GLU 43 13.668 3.361 10.186 341 HG2 GLU 43 2HG GLU 43 14.225 5.727 10.696 342 HG3 GLU 43 1HG GLU 43 12.511 6.055 10.957 343 H ARG 44 H ARG 44 13.955 4.021 6.430 344 HA ARG 44 HA ARG 44 12.338 1.521 6.095 345 HB2 ARG 44 2HB ARG 44 13.286 3.458 3.959 346 HB3 ARG 44 1HB ARG 44 12.525 1.903 3.632 347 HG2 ARG 44 2HG ARG 44 10.536 2.688 4.985 348 HG3 ARG 44 1HG ARG 44 11.285 4.283 5.044 349 HD2 ARG 44 2HD ARG 44 11.396 4.206 2.512 350 HD3 ARG 44 1HD ARG 44 10.389 2.761 2.591 351 HE ARG 44 HE ARG 44 9.273 5.039 4.045 352 HH11 ARG 44 1HH1 ARG 44 7.360 5.879 3.186 353 HH12 ARG 44 2HH1 ARG 44 6.869 5.425 1.589 354 HH21 ARG 44 1HH2 ARG 44 9.609 3.369 1.047 355 HH22 ARG 44 2HH2 ARG 44 8.143 4.004 0.377 356 H ALA 45 H ALA 45 13.530 -0.311 5.552 357 HA ALA 45 HA ALA 45 16.448 0.081 5.030 358 HB1 ALA 45 1HB ALA 45 16.862 -0.743 7.087 359 HB2 ALA 45 2HB ALA 45 16.243 -2.286 6.496 360 HB3 ALA 45 3HB ALA 45 15.166 -1.163 7.326 361 H GLY 46 H GLY 46 13.762 -2.258 5.015 362 HA2 GLY 46 2HA GLY 46 14.545 -3.185 2.348 363 HA3 GLY 46 1HA GLY 46 14.791 -4.380 3.619 364 H LEU 47 H LEU 47 13.019 -5.183 1.805 365 HA LEU 47 HA LEU 47 10.516 -5.140 3.324 366 HB2 LEU 47 2HB LEU 47 9.678 -4.731 0.639 367 HB3 LEU 47 1HB LEU 47 9.375 -3.701 2.035 368 HG LEU 47 HG LEU 47 11.476 -2.501 1.639 369 HD11 LEU 47 1HD1 LEU 47 12.205 -3.335 -0.953 370 HD12 LEU 47 2HD1 LEU 47 12.015 -4.818 -0.019 371 HD13 LEU 47 3HD1 LEU 47 13.131 -3.568 0.529 372 HD21 LEU 47 1HD2 LEU 47 9.806 -1.400 0.489 373 HD22 LEU 47 2HD2 LEU 47 9.448 -2.794 -0.521 374 HD23 LEU 47 3HD2 LEU 47 10.870 -1.812 -0.856 375 H ALA 48 H ALA 48 9.493 -7.079 3.154 376 HA ALA 48 HA ALA 48 10.557 -8.971 1.114 377 HB1 ALA 48 1HB ALA 48 10.224 -9.320 3.842 378 HB2 ALA 48 2HB ALA 48 10.374 -10.624 2.664 379 HB3 ALA 48 3HB ALA 48 8.777 -10.079 3.174 380 H PHE 49 H PHE 49 9.133 -9.902 -0.355 381 HA PHE 49 HA PHE 49 6.248 -9.191 -0.109 382 HB2 PHE 49 2HB PHE 49 8.200 -8.217 -2.081 383 HB3 PHE 49 1HB PHE 49 6.750 -8.916 -2.799 384 HD1 PHE 49 1HD PHE 49 8.009 -6.314 -0.472 385 HD2 PHE 49 2HD PHE 49 4.631 -7.830 -2.646 386 HE1 PHE 49 1HE PHE 49 6.774 -4.213 -0.018 387 HE2 PHE 49 2HE PHE 49 3.392 -5.734 -2.186 388 HZ PHE 49 HZ PHE 49 4.469 -3.924 -0.884 389 H GLU 50 H GLU 50 5.051 -11.030 -0.475 390 HA GLU 50 HA GLU 50 6.199 -13.003 -2.419 391 HB2 GLU 50 2HB GLU 50 6.622 -13.873 -0.187 392 HB3 GLU 50 1HB GLU 50 4.949 -13.629 0.267 393 HG2 GLU 50 2HG GLU 50 5.018 -15.917 -0.257 394 HG3 GLU 50 1HG GLU 50 4.424 -15.212 -1.756 395 HA PRO 51 HA PRO 51 2.014 -12.426 -3.974 396 HB2 PRO 51 2HB PRO 51 2.074 -14.032 -6.112 397 HB3 PRO 51 1HB PRO 51 3.066 -12.562 -6.034 398 HG2 PRO 51 2HG PRO 51 3.860 -15.402 -5.595 399 HG3 PRO 51 1HG PRO 51 4.718 -14.113 -6.455 400 HD2 PRO 51 2HD PRO 51 5.273 -14.885 -3.846 401 HD3 PRO 51 1HD PRO 51 5.675 -13.298 -4.542 402 H PHE 52 H PHE 52 0.021 -13.369 -3.566 403 HA PHE 52 HA PHE 52 -0.706 -16.079 -3.773 404 HB2 PHE 52 2HB PHE 52 -0.775 -16.437 -1.130 405 HB3 PHE 52 1HB PHE 52 0.636 -16.898 -2.075 406 HD1 PHE 52 1HD PHE 52 2.084 -16.679 -0.074 407 HD2 PHE 52 2HD PHE 52 -0.122 -13.315 -1.591 408 HE1 PHE 52 1HE PHE 52 3.496 -15.127 1.250 409 HE2 PHE 52 2HE PHE 52 1.312 -11.790 -0.309 410 HZ PHE 52 HZ PHE 52 3.097 -12.673 1.127 411 H VAL 53 H VAL 53 -2.611 -16.511 -1.970 412 HA VAL 53 HA VAL 53 -4.335 -14.084 -2.081 413 HB VAL 53 HB VAL 53 -5.852 -15.605 -2.814 414 HG11 VAL 53 1HG1 VAL 53 -4.009 -17.138 -3.368 415 HG12 VAL 53 2HG1 VAL 53 -5.415 -18.031 -2.789 416 HG13 VAL 53 3HG1 VAL 53 -4.035 -17.773 -1.722 417 HG21 VAL 53 1HG2 VAL 53 -7.009 -16.915 -1.139 418 HG22 VAL 53 2HG2 VAL 53 -6.515 -15.399 -0.390 419 HG23 VAL 53 3HG2 VAL 53 -5.609 -16.881 -0.070 420 H GLY 54 H GLY 54 -5.155 -13.217 -0.055 421 HA2 GLY 54 2HA GLY 54 -5.085 -12.879 2.302 422 HA3 GLY 54 1HA GLY 54 -4.780 -14.621 2.462 423 H GLY 55 H GLY 55 -3.029 -12.516 0.414 424 HA2 GLY 55 2HA GLY 55 -0.479 -13.436 1.224 425 HA3 GLY 55 1HA GLY 55 -0.826 -12.114 0.131 426 H ARG 56 H ARG 56 1.359 -11.707 1.435 427 HA ARG 56 HA ARG 56 0.634 -9.594 3.376 428 HB2 ARG 56 2HB ARG 56 2.515 -11.886 3.985 429 HB3 ARG 56 1HB ARG 56 2.393 -10.423 4.961 430 HG2 ARG 56 2HG ARG 56 -0.038 -10.885 5.285 431 HG3 ARG 56 1HG ARG 56 0.163 -12.399 4.403 432 HD2 ARG 56 2HD ARG 56 1.595 -11.642 6.965 433 HD3 ARG 56 1HD ARG 56 0.275 -12.804 6.823 434 HE ARG 56 HE ARG 56 2.289 -13.650 5.038 435 HH11 ARG 56 1HH1 ARG 56 3.760 -15.246 5.672 436 HH12 ARG 56 2HH1 ARG 56 4.038 -15.527 7.358 437 HH21 ARG 56 1HH2 ARG 56 1.810 -13.085 8.406 438 HH22 ARG 56 2HH2 ARG 56 2.933 -14.305 8.905 439 H TYR 57 H TYR 57 2.091 -7.939 3.514 440 HA TYR 57 HA TYR 57 4.513 -8.048 1.767 441 HB2 TYR 57 2HB TYR 57 2.876 -5.577 2.411 442 HB3 TYR 57 1HB TYR 57 4.237 -5.685 1.301 443 HD1 TYR 57 1HD TYR 57 3.677 -8.127 -0.260 444 HD2 TYR 57 2HD TYR 57 1.001 -5.069 1.154 445 HE1 TYR 57 1HE TYR 57 2.115 -8.647 -2.098 446 HE2 TYR 57 2HE TYR 57 -0.558 -5.585 -0.698 447 HH TYR 57 HH TYR 57 -1.059 -7.088 -2.309 448 H TYR 58 H TYR 58 6.404 -7.258 2.725 449 HA TYR 58 HA TYR 58 6.159 -6.534 5.621 450 HB2 TYR 58 2HB TYR 58 8.326 -8.126 4.245 451 HB3 TYR 58 1HB TYR 58 8.195 -7.823 5.976 452 HD1 TYR 58 1HD TYR 58 6.285 -9.273 3.100 453 HD2 TYR 58 2HD TYR 58 6.999 -9.326 7.334 454 HE1 TYR 58 1HE TYR 58 4.791 -11.221 3.318 455 HE2 TYR 58 2HE TYR 58 5.504 -11.292 7.552 456 HH TYR 58 HH TYR 58 4.383 -12.883 6.430 457 H GLU 59 H GLU 59 7.523 -4.945 6.425 458 HA GLU 59 HA GLU 59 9.373 -3.598 4.501 459 HB2 GLU 59 2HB GLU 59 7.313 -2.241 4.756 460 HB3 GLU 59 1HB GLU 59 7.563 -2.209 6.503 461 HG2 GLU 59 2HG GLU 59 9.776 -1.121 6.120 462 HG3 GLU 59 1HG GLU 59 9.422 -1.078 4.392 463 H TRP 60 H TRP 60 11.319 -2.920 5.419 464 HA TRP 60 HA TRP 60 11.794 -3.841 8.225 465 HB2 TRP 60 2HB TRP 60 13.341 -3.901 5.739 466 HB3 TRP 60 1HB TRP 60 14.255 -3.242 7.092 467 HD1 TRP 60 HD TRP 60 13.844 -4.874 9.460 468 HE1 TRP 60 1HE TRP 60 14.140 -7.441 9.533 469 HE3 TRP 60 3HE TRP 60 13.389 -5.957 4.493 470 HZ2 TRP 60 2HZ TRP 60 14.138 -9.659 7.712 471 HZ3 TRP 60 3HZ TRP 60 13.536 -8.292 3.687 472 HH2 TRP 60 HH TRP 60 13.917 -10.141 5.285 473 H ASP 61 H ASP 61 12.239 -2.270 9.754 474 HA ASP 61 HA ASP 61 12.837 0.471 8.677 475 HB2 ASP 61 2HB ASP 61 12.341 0.538 11.486 476 HB3 ASP 61 1HB ASP 61 11.396 1.264 10.191 477 H ILE 62 H ILE 62 14.691 1.460 9.199 478 HA ILE 62 HA ILE 62 16.986 0.020 9.755 479 HB ILE 62 HB ILE 62 16.396 2.898 10.401 480 HG12 ILE 62 2HG1 ILE 62 17.974 2.641 8.089 481 HG13 ILE 62 1HG1 ILE 62 16.699 1.430 7.925 482 HG21 ILE 62 1HG2 ILE 62 18.390 2.291 11.518 483 HG22 ILE 62 2HG2 ILE 62 18.899 3.071 10.020 484 HG23 ILE 62 3HG2 ILE 62 18.932 1.313 10.158 485 HD11 ILE 62 1HD1 ILE 62 14.998 3.121 8.361 486 HD12 ILE 62 2HD1 ILE 62 16.009 3.639 7.013 487 HD13 ILE 62 3HD1 ILE 62 16.240 4.344 8.613 488 H ASP 63 H ASP 63 14.914 1.752 12.048 489 HA ASP 63 HA ASP 63 16.481 0.525 14.276 490 HB2 ASP 63 2HB ASP 63 14.473 2.804 14.257 491 HB3 ASP 63 1HB ASP 63 15.234 2.160 15.712 492 H GLY 64 H GLY 64 13.771 0.082 12.398 493 HA2 GLY 64 2HA GLY 64 12.344 -1.351 14.580 494 HA3 GLY 64 1HA GLY 64 11.542 -0.699 13.163 495 H THR 65 H THR 65 11.918 -3.422 14.376 496 HA THR 65 HA THR 65 13.384 -5.126 12.636 497 HB THR 65 HB THR 65 10.858 -5.856 14.121 498 HG1 THR 65 1HG THR 65 12.273 -4.627 15.449 499 HG21 THR 65 1HG2 THR 65 12.463 -7.901 14.560 500 HG22 THR 65 2HG2 THR 65 13.282 -7.306 13.119 501 HG23 THR 65 3HG2 THR 65 11.584 -7.774 13.040 502 H GLU 66 H GLU 66 11.964 -6.960 11.455 503 HA GLU 66 HA GLU 66 10.583 -5.622 9.256 504 HB2 GLU 66 2HB GLU 66 11.970 -7.791 9.098 505 HB3 GLU 66 1HB GLU 66 10.593 -8.592 9.821 506 HG2 GLU 66 2HG GLU 66 9.165 -7.669 8.008 507 HG3 GLU 66 1HG GLU 66 10.618 -7.030 7.241 508 H ILE 67 H ILE 67 8.310 -5.685 8.890 509 HA ILE 67 HA ILE 67 6.637 -7.197 10.795 510 HB ILE 67 HB ILE 67 7.224 -4.883 11.764 511 HG12 ILE 67 2HG1 ILE 67 4.608 -4.534 12.173 512 HG13 ILE 67 1HG1 ILE 67 4.544 -6.138 11.453 513 HG21 ILE 67 1HG2 ILE 67 6.419 -2.979 10.774 514 HG22 ILE 67 2HG2 ILE 67 5.007 -3.801 10.108 515 HG23 ILE 67 3HG2 ILE 67 6.575 -3.955 9.313 516 HD11 ILE 67 1HD1 ILE 67 4.877 -6.747 13.650 517 HD12 ILE 67 2HD1 ILE 67 5.772 -5.275 14.030 518 HD13 ILE 67 3HD1 ILE 67 6.557 -6.580 13.142 519 H VAL 68 H VAL 68 4.377 -7.296 10.129 520 HA VAL 68 HA VAL 68 4.060 -6.910 7.198 521 HB VAL 68 HB VAL 68 2.144 -8.246 9.131 522 HG11 VAL 68 1HG1 VAL 68 1.364 -9.373 7.074 523 HG12 VAL 68 2HG1 VAL 68 2.551 -8.469 6.134 524 HG13 VAL 68 3HG1 VAL 68 1.228 -7.621 6.933 525 HG21 VAL 68 1HG2 VAL 68 3.477 -10.218 7.662 526 HG22 VAL 68 2HG2 VAL 68 3.692 -9.868 9.376 527 HG23 VAL 68 3HG2 VAL 68 4.753 -9.118 8.184 528 H TRP 69 H TRP 69 2.953 -5.123 6.500 529 HA TRP 69 HA TRP 69 1.240 -3.716 8.521 530 HB2 TRP 69 2HB TRP 69 1.638 -1.919 6.468 531 HB3 TRP 69 1HB TRP 69 2.547 -1.971 7.978 532 HD1 TRP 69 HD TRP 69 4.942 -3.095 7.948 533 HE1 TRP 69 1HE TRP 69 6.581 -3.593 6.025 534 HE3 TRP 69 3HE TRP 69 1.788 -2.648 3.966 535 HZ2 TRP 69 2HZ TRP 69 6.559 -3.756 3.171 536 HZ3 TRP 69 3HZ TRP 69 2.623 -2.972 1.657 537 HH2 TRP 69 HH TRP 69 5.005 -3.529 1.262 538 H GLY 70 H GLY 70 0.821 -5.764 5.989 539 HA2 GLY 70 2HA GLY 70 -1.910 -4.809 5.562 540 HA3 GLY 70 1HA GLY 70 -0.882 -4.658 4.140 541 H ARG 71 H ARG 71 -2.687 -6.210 3.420 542 HA ARG 71 HA ARG 71 -1.578 -8.911 3.478 543 HB2 ARG 71 2HB ARG 71 -3.420 -8.491 5.387 544 HB3 ARG 71 1HB ARG 71 -4.511 -8.802 4.046 545 HG2 ARG 71 2HG ARG 71 -3.390 -10.942 3.601 546 HG3 ARG 71 1HG ARG 71 -2.283 -10.643 4.941 547 HD2 ARG 71 2HD ARG 71 -4.226 -10.562 6.484 548 HD3 ARG 71 1HD ARG 71 -5.295 -10.930 5.132 549 HE ARG 71 HE ARG 71 -4.644 -13.180 5.342 550 HH11 ARG 71 1HH1 ARG 71 -3.354 -14.854 6.143 551 HH12 ARG 71 2HH1 ARG 71 -1.910 -14.473 7.020 552 HH21 ARG 71 1HH2 ARG 71 -2.327 -11.042 6.737 553 HH22 ARG 71 2HH2 ARG 71 -1.330 -12.314 7.358 554 H ILE 72 H ILE 72 -3.320 -10.259 2.003 555 HA ILE 72 HA ILE 72 -4.179 -8.485 -0.218 556 HB ILE 72 HB ILE 72 -2.761 -11.148 -0.538 557 HG12 ILE 72 2HG1 ILE 72 -1.872 -8.354 -1.309 558 HG13 ILE 72 1HG1 ILE 72 -1.310 -9.214 0.121 559 HG21 ILE 72 1HG2 ILE 72 -3.980 -9.195 -2.487 560 HG22 ILE 72 2HG2 ILE 72 -4.344 -10.911 -2.308 561 HG23 ILE 72 3HG2 ILE 72 -2.794 -10.404 -2.973 562 HD11 ILE 72 1HD1 ILE 72 -0.872 -11.091 -1.822 563 HD12 ILE 72 2HD1 ILE 72 0.351 -9.957 -1.251 564 HD13 ILE 72 3HD1 ILE 72 -0.573 -9.606 -2.710 565 H LEU 73 H LEU 73 -5.856 -9.713 -1.640 566 HA LEU 73 HA LEU 73 -7.491 -11.486 0.135 567 HB2 LEU 73 2HB LEU 73 -8.219 -9.388 -1.884 568 HB3 LEU 73 1HB LEU 73 -9.344 -10.702 -1.549 569 HG LEU 73 HG LEU 73 -8.108 -9.230 0.750 570 HD11 LEU 73 1HD1 LEU 73 -9.855 -7.541 0.679 571 HD12 LEU 73 2HD1 LEU 73 -10.556 -8.279 -0.761 572 HD13 LEU 73 3HD1 LEU 73 -8.973 -7.510 -0.845 573 HD21 LEU 73 1HD2 LEU 73 -9.456 -11.173 1.266 574 HD22 LEU 73 2HD2 LEU 73 -10.756 -10.613 0.215 575 HD23 LEU 73 3HD2 LEU 73 -10.394 -9.746 1.703 576 H GLU 74 H GLU 74 -6.774 -10.837 -3.279 577 HA GLU 74 HA GLU 74 -6.193 -13.571 -3.920 578 HB2 GLU 74 2HB GLU 74 -8.681 -13.738 -3.576 579 HB3 GLU 74 1HB GLU 74 -8.893 -12.569 -4.882 580 HG2 GLU 74 2HG GLU 74 -7.655 -14.103 -6.409 581 HG3 GLU 74 1HG GLU 74 -7.563 -15.286 -5.104 582 H TRP 75 H TRP 75 -5.605 -13.743 -6.213 583 HA TRP 75 HA TRP 75 -5.154 -11.060 -7.426 584 HB2 TRP 75 2HB TRP 75 -3.284 -12.048 -8.591 585 HB3 TRP 75 1HB TRP 75 -3.167 -12.517 -6.891 586 HD1 TRP 75 HD TRP 75 -3.747 -15.033 -6.256 587 HE1 TRP 75 1HE TRP 75 -3.826 -17.188 -7.667 588 HE3 TRP 75 3HE TRP 75 -3.832 -13.013 -10.945 589 HZ2 TRP 75 2HZ TRP 75 -3.914 -17.955 -10.422 590 HZ3 TRP 75 3HZ TRP 75 -3.914 -14.477 -12.943 591 HH2 TRP 75 HH TRP 75 -3.955 -16.943 -12.688 592 H ASP 76 H ASP 76 -6.222 -10.555 -9.277 593 HA ASP 76 HA ASP 76 -7.556 -12.776 -10.757 594 HB2 ASP 76 2HB ASP 76 -8.632 -10.396 -9.744 595 HB3 ASP 76 1HB ASP 76 -8.470 -10.111 -11.478 596 HA PRO 77 HA PRO 77 -4.501 -12.463 -14.001 597 HB2 PRO 77 2HB PRO 77 -7.020 -12.267 -15.639 598 HB3 PRO 77 1HB PRO 77 -5.537 -13.185 -15.976 599 HG2 PRO 77 2HG PRO 77 -7.709 -14.337 -14.907 600 HG3 PRO 77 1HG PRO 77 -6.064 -14.850 -14.499 601 HD2 PRO 77 2HD PRO 77 -8.038 -13.499 -12.805 602 HD3 PRO 77 1HD PRO 77 -6.515 -14.285 -12.330 603 HA PRO 78 HA PRO 78 -3.474 -8.273 -14.892 604 HB2 PRO 78 2HB PRO 78 -3.951 -9.043 -17.755 605 HB3 PRO 78 1HB PRO 78 -2.599 -8.138 -17.045 606 HG2 PRO 78 2HG PRO 78 -2.498 -10.793 -17.658 607 HG3 PRO 78 1HG PRO 78 -1.501 -10.018 -16.419 608 HD2 PRO 78 2HD PRO 78 -3.600 -11.981 -16.047 609 HD3 PRO 78 1HD PRO 78 -2.546 -11.254 -14.815 610 H HIS 79 H HIS 79 -5.636 -7.711 -13.929 611 HA HIS 79 HA HIS 79 -7.103 -5.953 -15.593 612 HB2 HIS 79 2HB HIS 79 -7.861 -8.444 -16.265 613 HB3 HIS 79 1HB HIS 79 -8.924 -8.194 -14.877 614 HD1 HIS 79 1HD HIS 79 -9.530 -5.224 -15.119 615 HD2 HIS 79 2HD HIS 79 -9.538 -7.796 -18.402 616 HE1 HIS 79 1HE HIS 79 -10.942 -4.107 -16.896 617 HE2 HIS 79 2HE HIS 79 -10.967 -5.669 -18.898 618 H ARG 80 H ARG 80 -7.325 -8.133 -12.734 619 HA ARG 80 HA ARG 80 -8.050 -5.747 -11.159 620 HB2 ARG 80 2HB ARG 80 -10.236 -6.465 -11.908 621 HB3 ARG 80 1HB ARG 80 -9.904 -8.124 -11.407 622 HG2 ARG 80 2HG ARG 80 -9.794 -7.456 -9.071 623 HG3 ARG 80 1HG ARG 80 -9.947 -5.758 -9.513 624 HD2 ARG 80 2HD ARG 80 -12.176 -6.222 -10.474 625 HD3 ARG 80 1HD ARG 80 -12.020 -7.902 -9.972 626 HE ARG 80 HE ARG 80 -11.612 -6.427 -7.644 627 HH11 ARG 80 1HH1 ARG 80 -13.312 -5.933 -6.239 628 HH12 ARG 80 2HH1 ARG 80 -14.936 -5.902 -6.843 629 HH21 ARG 80 1HH2 ARG 80 -14.026 -6.730 -10.086 630 HH22 ARG 80 2HH2 ARG 80 -15.340 -6.353 -9.021 631 H LEU 81 H LEU 81 -7.605 -5.919 -8.987 632 HA LEU 81 HA LEU 81 -6.836 -8.541 -7.864 633 HB2 LEU 81 2HB LEU 81 -4.987 -6.167 -8.082 634 HB3 LEU 81 1HB LEU 81 -4.738 -7.436 -6.892 635 HG LEU 81 HG LEU 81 -5.127 -8.828 -9.267 636 HD11 LEU 81 1HD1 LEU 81 -3.409 -6.384 -9.742 637 HD12 LEU 81 2HD1 LEU 81 -4.950 -6.729 -10.527 638 HD13 LEU 81 3HD1 LEU 81 -3.552 -7.758 -10.840 639 HD21 LEU 81 1HD2 LEU 81 -2.752 -9.355 -9.046 640 HD22 LEU 81 2HD2 LEU 81 -3.479 -9.266 -7.441 641 HD23 LEU 81 3HD2 LEU 81 -2.504 -7.926 -8.044 642 H ALA 82 H ALA 82 -7.683 -8.681 -5.860 643 HA ALA 82 HA ALA 82 -8.509 -6.149 -4.496 644 HB1 ALA 82 1HB ALA 82 -10.433 -7.507 -4.728 645 HB2 ALA 82 2HB ALA 82 -9.884 -7.854 -3.088 646 HB3 ALA 82 3HB ALA 82 -9.535 -8.987 -4.392 647 H MET 83 H MET 83 -7.938 -5.946 -2.181 648 HA MET 83 HA MET 83 -6.094 -8.025 -1.192 649 HB2 MET 83 2HB MET 83 -4.633 -5.833 -0.526 650 HB3 MET 83 1HB MET 83 -4.327 -6.825 -1.952 651 HG2 MET 83 2HG MET 83 -5.717 -5.353 -3.320 652 HG3 MET 83 1HG MET 83 -6.144 -4.397 -1.901 653 HE1 MET 83 1HE MET 83 -2.569 -5.924 -3.109 654 HE2 MET 83 2HE MET 83 -2.226 -4.593 -4.211 655 HE3 MET 83 3HE MET 83 -3.701 -5.536 -4.414 656 H THR 84 H THR 84 -5.983 -8.195 1.051 657 HA THR 84 HA THR 84 -7.744 -6.288 2.558 658 HB THR 84 HB THR 84 -6.818 -9.117 3.129 659 HG1 THR 84 1HG THR 84 -8.883 -8.217 1.971 660 HG21 THR 84 1HG2 THR 84 -8.342 -8.605 5.260 661 HG22 THR 84 2HG2 THR 84 -7.729 -6.973 4.994 662 HG23 THR 84 3HG2 THR 84 -6.604 -8.301 5.274 663 H TRP 85 H TRP 85 -6.816 -5.255 4.464 664 HA TRP 85 HA TRP 85 -3.827 -5.319 4.436 665 HB2 TRP 85 2HB TRP 85 -5.853 -3.206 5.054 666 HB3 TRP 85 1HB TRP 85 -4.286 -3.127 5.859 667 HD1 TRP 85 HD TRP 85 -4.432 -4.571 2.360 668 HE1 TRP 85 1HE TRP 85 -3.287 -2.946 0.723 669 HE3 TRP 85 3HE TRP 85 -3.779 -0.543 5.430 670 HZ2 TRP 85 2HZ TRP 85 -2.232 -0.287 0.714 671 HZ3 TRP 85 3HZ TRP 85 -2.701 1.521 4.582 672 HH2 TRP 85 HH TRP 85 -1.928 1.654 2.229 673 H ARG 86 H ARG 86 -2.778 -6.200 6.184 674 HA ARG 86 HA ARG 86 -4.377 -6.527 8.702 675 HB2 ARG 86 2HB ARG 86 -3.763 -8.668 7.628 676 HB3 ARG 86 1HB ARG 86 -2.062 -8.215 7.709 677 HG2 ARG 86 2HG ARG 86 -2.255 -8.048 10.186 678 HG3 ARG 86 1HG ARG 86 -3.931 -8.586 10.068 679 HD2 ARG 86 2HD ARG 86 -1.539 -10.167 9.083 680 HD3 ARG 86 1HD ARG 86 -2.375 -10.454 10.609 681 HE ARG 86 HE ARG 86 -4.108 -10.520 8.241 682 HH11 ARG 86 1HH1 ARG 86 -5.081 -12.523 7.850 683 HH12 ARG 86 2HH1 ARG 86 -4.512 -13.926 8.691 684 HH21 ARG 86 1HH2 ARG 86 -2.076 -12.205 10.458 685 HH22 ARG 86 2HH2 ARG 86 -2.811 -13.746 10.168 686 H ILE 87 H ILE 87 -3.746 -4.947 10.088 687 HA ILE 87 HA ILE 87 -0.870 -4.738 10.746 688 HB ILE 87 HB ILE 87 -1.407 -2.994 8.973 689 HG12 ILE 87 2HG1 ILE 87 -0.655 -1.857 11.681 690 HG13 ILE 87 1HG1 ILE 87 0.438 -2.858 10.723 691 HG21 ILE 87 1HG2 ILE 87 -2.813 -1.162 9.519 692 HG22 ILE 87 2HG2 ILE 87 -2.868 -1.607 11.224 693 HG23 ILE 87 3HG2 ILE 87 -3.724 -2.582 10.031 694 HD11 ILE 87 1HD1 ILE 87 -0.879 -0.492 9.429 695 HD12 ILE 87 2HD1 ILE 87 0.669 -1.249 9.057 696 HD13 ILE 87 3HD1 ILE 87 0.508 -0.231 10.486 697 H ASP 88 H ASP 88 -0.540 -3.716 12.859 698 HA ASP 88 HA ASP 88 -3.011 -3.826 14.531 699 HB2 ASP 88 2HB ASP 88 -1.172 -5.392 15.137 700 HB3 ASP 88 1HB ASP 88 -0.143 -4.001 15.450 701 H GLY 89 H GLY 89 -2.783 -2.347 16.528 702 HA2 GLY 89 2HA GLY 89 -2.794 0.359 15.643 703 HA3 GLY 89 1HA GLY 89 -2.782 -0.145 17.333 704 H HIS 90 H HIS 90 -0.231 -1.533 17.238 705 HA HIS 90 HA HIS 90 1.536 0.868 17.062 706 HB2 HIS 90 2HB HIS 90 1.131 -0.951 19.131 707 HB3 HIS 90 1HB HIS 90 2.673 -1.441 18.432 708 HD1 HIS 90 1HD HIS 90 1.954 0.315 21.179 709 HD2 HIS 90 2HD HIS 90 3.800 1.589 17.662 710 HE1 HIS 90 1HE HIS 90 3.290 2.383 21.779 711 HE2 HIS 90 2HE HIS 90 4.418 3.167 19.646 712 H TRP 91 H TRP 91 0.969 -0.594 14.663 713 HA TRP 91 HA TRP 91 2.096 -1.609 12.875 714 HB2 TRP 91 2HB TRP 91 4.373 -0.372 14.432 715 HB3 TRP 91 1HB TRP 91 4.624 -1.208 12.900 716 HD1 TRP 91 HD TRP 91 2.742 -0.319 10.923 717 HE1 TRP 91 1HE TRP 91 2.243 2.137 10.319 718 HE3 TRP 91 3HE TRP 91 4.401 2.008 15.142 719 HZ2 TRP 91 2HZ TRP 91 2.527 4.714 11.475 720 HZ3 TRP 91 3HZ TRP 91 4.278 4.462 15.374 721 HH2 TRP 91 HH TRP 91 3.335 5.829 13.535 722 H GLN 92 H GLN 92 1.325 -3.425 14.785 723 HA GLN 92 HA GLN 92 3.667 -5.282 14.910 724 HB2 GLN 92 2HB GLN 92 1.288 -5.151 16.791 725 HB3 GLN 92 1HB GLN 92 2.619 -6.303 16.892 726 HG2 GLN 92 2HG GLN 92 4.212 -4.426 17.192 727 HG3 GLN 92 1HG GLN 92 2.862 -3.291 17.124 728 HE21 GLN 92 1HE2 GLN 92 4.494 -3.454 19.460 729 HE22 GLN 92 2HE2 GLN 92 3.564 -4.101 20.724 730 H SER 93 H SER 93 3.188 -7.505 14.421 731 HA SER 93 HA SER 93 0.808 -7.790 12.671 732 HB2 SER 93 2HB SER 93 3.065 -8.398 11.783 733 HB3 SER 93 1HB SER 93 3.180 -9.650 13.019 734 HG SER 93 HG SER 93 2.255 -10.087 10.750 735 H VAL 94 H VAL 94 -0.798 -9.277 13.094 736 HA VAL 94 HA VAL 94 -0.491 -10.987 15.525 737 HB VAL 94 HB VAL 94 -3.148 -10.426 15.577 738 HG11 VAL 94 1HG1 VAL 94 -2.367 -8.508 17.214 739 HG12 VAL 94 2HG1 VAL 94 -0.761 -9.151 16.872 740 HG13 VAL 94 3HG1 VAL 94 -1.993 -10.192 17.585 741 HG21 VAL 94 1HG2 VAL 94 -1.941 -7.744 14.940 742 HG22 VAL 94 2HG2 VAL 94 -3.637 -8.228 14.924 743 HG23 VAL 94 3HG2 VAL 94 -2.557 -8.756 13.634 744 HA PRO 95 HA PRO 95 -1.919 -14.381 13.122 745 HB2 PRO 95 2HB PRO 95 -4.028 -15.284 14.774 746 HB3 PRO 95 1HB PRO 95 -2.336 -15.805 14.846 747 HG2 PRO 95 2HG PRO 95 -3.787 -13.861 16.531 748 HG3 PRO 95 1HG PRO 95 -2.415 -14.907 16.930 749 HD2 PRO 95 2HD PRO 95 -2.131 -12.231 16.548 750 HD3 PRO 95 1HD PRO 95 -0.849 -13.391 16.128 751 H ASP 96 H ASP 96 -4.340 -12.143 14.348 752 HA ASP 96 HA ASP 96 -5.642 -12.045 11.741 753 HB2 ASP 96 2HB ASP 96 -6.622 -14.062 13.144 754 HB3 ASP 96 1HB ASP 96 -7.479 -12.769 13.985 755 H ASP 97 H ASP 97 -6.924 -10.147 11.568 756 HA ASP 97 HA ASP 97 -6.635 -8.290 13.877 757 HB2 ASP 97 2HB ASP 97 -6.961 -7.834 10.910 758 HB3 ASP 97 1HB ASP 97 -7.122 -6.541 12.096 759 H ASP 98 H ASP 98 -8.458 -7.978 15.044 760 HA ASP 98 HA ASP 98 -11.059 -8.835 14.142 761 HB2 ASP 98 2HB ASP 98 -10.208 -7.049 16.430 762 HB3 ASP 98 1HB ASP 98 -11.854 -7.625 16.188 763 H ARG 99 H ARG 99 -9.242 -5.874 13.997 764 HA ARG 99 HA ARG 99 -11.591 -4.371 12.983 765 HB2 ARG 99 2HB ARG 99 -9.692 -2.502 13.051 766 HB3 ARG 99 1HB ARG 99 -10.539 -2.990 14.522 767 HG2 ARG 99 2HG ARG 99 -8.755 -4.446 15.176 768 HG3 ARG 99 1HG ARG 99 -7.977 -4.311 13.599 769 HD2 ARG 99 2HD ARG 99 -6.753 -2.889 15.095 770 HD3 ARG 99 1HD ARG 99 -7.716 -1.832 14.062 771 HE ARG 99 HE ARG 99 -9.043 -1.254 15.950 772 HH11 ARG 99 1HH1 ARG 99 -9.383 -1.228 18.185 773 HH12 ARG 99 2HH1 ARG 99 -8.555 -2.373 19.187 774 HH21 ARG 99 1HH2 ARG 99 -6.895 -3.886 16.546 775 HH22 ARG 99 2HH2 ARG 99 -7.147 -3.877 18.259 776 H ALA 100 H ALA 100 -10.325 -6.450 11.352 777 HA ALA 100 HA ALA 100 -8.727 -4.978 9.363 778 HB1 ALA 100 1HB ALA 100 -9.089 -7.732 10.082 779 HB2 ALA 100 2HB ALA 100 -7.898 -7.032 8.987 780 HB3 ALA 100 3HB ALA 100 -9.473 -7.536 8.373 781 H SER 101 H SER 101 -9.398 -4.671 7.186 782 HA SER 101 HA SER 101 -12.310 -5.053 6.651 783 HB2 SER 101 2HB SER 101 -12.489 -2.835 5.735 784 HB3 SER 101 1HB SER 101 -11.744 -2.667 7.321 785 HG SER 101 HG SER 101 -10.797 -1.706 5.172 786 H GLU 102 H GLU 102 -12.704 -4.727 4.186 787 HA GLU 102 HA GLU 102 -10.441 -6.037 2.742 788 HB2 GLU 102 2HB GLU 102 -13.404 -6.013 2.100 789 HB3 GLU 102 1HB GLU 102 -12.163 -6.859 1.175 790 HG2 GLU 102 2HG GLU 102 -11.579 -8.173 3.205 791 HG3 GLU 102 1HG GLU 102 -12.888 -7.372 4.074 792 H ILE 103 H ILE 103 -9.679 -5.148 0.840 793 HA ILE 103 HA ILE 103 -10.857 -2.513 0.044 794 HB ILE 103 HB ILE 103 -7.972 -3.419 -0.207 795 HG12 ILE 103 2HG1 ILE 103 -9.190 -1.404 1.705 796 HG13 ILE 103 1HG1 ILE 103 -8.753 -3.054 2.153 797 HG21 ILE 103 1HG2 ILE 103 -7.629 -1.552 -1.429 798 HG22 ILE 103 2HG2 ILE 103 -8.553 -0.564 -0.298 799 HG23 ILE 103 3HG2 ILE 103 -9.383 -1.443 -1.582 800 HD11 ILE 103 1HD1 ILE 103 -7.062 -0.806 2.152 801 HD12 ILE 103 2HD1 ILE 103 -6.564 -1.766 0.758 802 HD13 ILE 103 3HD1 ILE 103 -6.583 -2.490 2.367 803 H GLU 104 H GLU 104 -11.298 -2.250 -2.138 804 HA GLU 104 HA GLU 104 -10.737 -4.625 -3.874 805 HB2 GLU 104 2HB GLU 104 -12.923 -2.532 -4.105 806 HB3 GLU 104 1HB GLU 104 -12.692 -3.896 -5.199 807 HG2 GLU 104 2HG GLU 104 -12.986 -5.453 -3.281 808 HG3 GLU 104 1HG GLU 104 -13.302 -4.069 -2.233 809 H VAL 105 H VAL 105 -9.263 -4.267 -5.451 810 HA VAL 105 HA VAL 105 -8.944 -1.479 -6.458 811 HB VAL 105 HB VAL 105 -6.718 -3.486 -6.052 812 HG11 VAL 105 1HG1 VAL 105 -6.379 -1.816 -7.860 813 HG12 VAL 105 2HG1 VAL 105 -5.270 -1.557 -6.514 814 HG13 VAL 105 3HG1 VAL 105 -6.684 -0.523 -6.701 815 HG21 VAL 105 1HG2 VAL 105 -6.937 -2.909 -3.866 816 HG22 VAL 105 2HG2 VAL 105 -7.984 -1.540 -4.242 817 HG23 VAL 105 3HG2 VAL 105 -6.231 -1.370 -4.362 818 H ASP 106 H ASP 106 -8.880 -1.312 -8.691 819 HA ASP 106 HA ASP 106 -8.874 -3.894 -10.202 820 HB2 ASP 106 2HB ASP 106 -10.260 -1.282 -10.866 821 HB3 ASP 106 1HB ASP 106 -10.236 -2.706 -11.911 822 H PHE 107 H PHE 107 -7.286 -4.125 -11.711 823 HA PHE 107 HA PHE 107 -5.687 -1.700 -12.411 824 HB2 PHE 107 2HB PHE 107 -4.881 -4.614 -12.212 825 HB3 PHE 107 1HB PHE 107 -3.836 -3.328 -12.803 826 HD1 PHE 107 1HD PHE 107 -5.746 -4.515 -9.852 827 HD2 PHE 107 2HD PHE 107 -2.711 -1.852 -11.306 828 HE1 PHE 107 1HE PHE 107 -5.085 -4.000 -7.523 829 HE2 PHE 107 2HE PHE 107 -2.049 -1.330 -8.974 830 HZ PHE 107 HZ PHE 107 -3.230 -2.408 -7.079 831 H VAL 108 H VAL 108 -5.800 -1.138 -14.535 832 HA VAL 108 HA VAL 108 -6.536 -3.255 -16.510 833 HB VAL 108 HB VAL 108 -7.237 -0.439 -17.112 834 HG11 VAL 108 1HG1 VAL 108 -9.245 -1.577 -18.039 835 HG12 VAL 108 2HG1 VAL 108 -8.632 -3.112 -17.423 836 HG13 VAL 108 3HG1 VAL 108 -7.744 -2.248 -18.679 837 HG21 VAL 108 1HG2 VAL 108 -8.532 -2.086 -14.937 838 HG22 VAL 108 2HG2 VAL 108 -9.430 -0.846 -15.812 839 HG23 VAL 108 3HG2 VAL 108 -8.010 -0.403 -14.867 840 HA PRO 109 HA PRO 109 -2.644 -1.720 -18.213 841 HB2 PRO 109 2HB PRO 109 -2.450 -3.390 -20.334 842 HB3 PRO 109 1HB PRO 109 -2.156 -3.935 -18.670 843 HG2 PRO 109 2HG PRO 109 -4.564 -4.291 -20.376 844 HG3 PRO 109 1HG PRO 109 -3.797 -5.426 -19.254 845 HD2 PRO 109 2HD PRO 109 -6.047 -3.952 -18.636 846 HD3 PRO 109 1HD PRO 109 -4.901 -4.568 -17.422 847 H ASN 110 H ASN 110 -2.566 0.151 -19.327 848 HA ASN 110 HA ASN 110 -4.245 0.418 -21.769 849 HB2 ASN 110 2HB ASN 110 -4.826 1.947 -19.848 850 HB3 ASN 110 1HB ASN 110 -3.227 2.665 -20.034 851 HD21 ASN 110 1HD2 ASN 110 -4.618 4.680 -20.553 852 HD22 ASN 110 2HD2 ASN 110 -5.121 4.882 -22.161 853 H GLY 111 H GLY 111 -3.111 0.618 -23.637 854 HA2 GLY 111 2HA GLY 111 -1.250 0.827 -25.056 855 HA3 GLY 111 1HA GLY 111 -0.823 2.201 -24.036 856 H SER 112 H SER 112 1.262 0.805 -25.019 857 HA SER 112 HA SER 112 2.118 -1.429 -23.439 858 HB2 SER 112 2HB SER 112 4.311 -1.026 -24.384 859 HB3 SER 112 1HB SER 112 3.117 -0.724 -25.643 860 HG SER 112 HG SER 112 3.518 1.504 -24.205 861 H GLY 113 H GLY 113 2.018 1.988 -22.839 862 HA2 GLY 113 2HA GLY 113 3.343 1.497 -20.212 863 HA3 GLY 113 1HA GLY 113 3.832 2.883 -21.193 864 H GLY 114 H GLY 114 0.570 1.553 -20.504 865 HA2 GLY 114 2HA GLY 114 -0.078 4.129 -19.153 866 HA3 GLY 114 1HA GLY 114 -1.148 3.505 -20.408 867 H THR 115 H THR 115 -1.192 3.805 -17.249 868 HA THR 115 HA THR 115 -2.427 1.117 -16.817 869 HB THR 115 HB THR 115 -1.459 2.192 -14.339 870 HG1 THR 115 1HG THR 115 0.054 2.895 -16.335 871 HG21 THR 115 1HG2 THR 115 -0.886 -0.258 -16.007 872 HG22 THR 115 2HG2 THR 115 -1.781 -0.134 -14.492 873 HG23 THR 115 3HG2 THR 115 -0.030 0.049 -14.499 874 H ARG 116 H ARG 116 -4.446 1.199 -16.019 875 HA ARG 116 HA ARG 116 -5.393 3.781 -14.829 876 HB2 ARG 116 2HB ARG 116 -6.502 3.167 -16.986 877 HB3 ARG 116 1HB ARG 116 -7.049 1.664 -16.233 878 HG2 ARG 116 2HG ARG 116 -8.445 2.787 -14.707 879 HG3 ARG 116 1HG ARG 116 -7.613 4.326 -14.938 880 HD2 ARG 116 2HD ARG 116 -9.708 4.460 -16.109 881 HD3 ARG 116 1HD ARG 116 -8.432 4.315 -17.315 882 HE ARG 116 HE ARG 116 -9.196 1.699 -16.898 883 HH11 ARG 116 1HH1 ARG 116 -10.864 0.692 -18.044 884 HH12 ARG 116 2HH1 ARG 116 -12.131 1.657 -18.727 885 HH21 ARG 116 1HH2 ARG 116 -10.822 4.658 -17.589 886 HH22 ARG 116 2HH2 ARG 116 -12.107 3.902 -18.470 887 H VAL 117 H VAL 117 -5.649 3.530 -12.646 888 HA VAL 117 HA VAL 117 -6.428 0.815 -11.662 889 HB VAL 117 HB VAL 117 -4.618 2.807 -10.290 890 HG11 VAL 117 1HG1 VAL 117 -5.428 -0.039 -9.611 891 HG12 VAL 117 2HG1 VAL 117 -5.908 1.413 -8.731 892 HG13 VAL 117 3HG1 VAL 117 -4.219 0.902 -8.739 893 HG21 VAL 117 1HG2 VAL 117 -2.965 1.920 -11.541 894 HG22 VAL 117 2HG2 VAL 117 -4.121 0.865 -12.354 895 HG23 VAL 117 3HG2 VAL 117 -3.337 0.334 -10.866 896 H GLU 118 H GLU 118 -8.010 0.685 -10.157 897 HA GLU 118 HA GLU 118 -9.153 3.261 -9.135 898 HB2 GLU 118 2HB GLU 118 -10.644 0.700 -9.807 899 HB3 GLU 118 1HB GLU 118 -11.367 2.180 -9.180 900 HG2 GLU 118 2HG GLU 118 -10.584 3.396 -11.196 901 HG3 GLU 118 1HG GLU 118 -9.933 1.886 -11.835 902 H LEU 119 H LEU 119 -8.286 3.241 -7.059 903 HA LEU 119 HA LEU 119 -8.433 0.692 -5.533 904 HB2 LEU 119 2HB LEU 119 -6.241 1.923 -5.718 905 HB3 LEU 119 1HB LEU 119 -6.969 3.239 -4.801 906 HG LEU 119 HG LEU 119 -7.253 0.528 -3.615 907 HD11 LEU 119 1HD1 LEU 119 -4.601 1.998 -3.620 908 HD12 LEU 119 2HD1 LEU 119 -4.926 0.503 -4.499 909 HD13 LEU 119 3HD1 LEU 119 -4.971 0.517 -2.736 910 HD21 LEU 119 1HD2 LEU 119 -7.824 2.989 -2.722 911 HD22 LEU 119 2HD2 LEU 119 -6.142 2.913 -2.202 912 HD23 LEU 119 3HD2 LEU 119 -7.294 1.710 -1.631 913 H ALA 120 H ALA 120 -9.940 0.474 -3.950 914 HA ALA 120 HA ALA 120 -11.083 2.961 -2.754 915 HB1 ALA 120 1HB ALA 120 -12.480 1.436 -4.539 916 HB2 ALA 120 2HB ALA 120 -13.231 2.383 -3.253 917 HB3 ALA 120 3HB ALA 120 -12.924 0.662 -3.017 918 H HIS 121 H HIS 121 -10.525 2.866 -0.622 919 HA HIS 121 HA HIS 121 -10.476 0.182 0.695 920 HB2 HIS 121 2HB HIS 121 -8.938 1.050 2.272 921 HB3 HIS 121 1HB HIS 121 -8.402 1.723 0.736 922 HD1 HIS 121 1HD HIS 121 -10.317 2.693 3.865 923 HD2 HIS 121 2HD HIS 121 -8.508 4.515 0.577 924 HE1 HIS 121 1HE HIS 121 -10.286 5.185 4.350 925 HE2 HIS 121 2HE HIS 121 -9.205 6.301 2.345 926 H VAL 122 H VAL 122 -11.965 -0.212 2.317 927 HA VAL 122 HA VAL 122 -13.611 2.118 3.204 928 HB VAL 122 HB VAL 122 -15.609 0.667 3.033 929 HG11 VAL 122 1HG1 VAL 122 -15.899 1.363 0.895 930 HG12 VAL 122 2HG1 VAL 122 -14.552 0.385 0.311 931 HG13 VAL 122 3HG1 VAL 122 -14.250 1.979 1.006 932 HG21 VAL 122 1HG2 VAL 122 -14.458 -1.305 1.256 933 HG22 VAL 122 2HG2 VAL 122 -15.394 -1.560 2.727 934 HG23 VAL 122 3HG2 VAL 122 -13.643 -1.361 2.819 935 H LYS 123 H LYS 123 -14.687 1.900 5.163 936 HA LYS 123 HA LYS 123 -14.900 1.360 7.411 937 HB2 LYS 123 2HB LYS 123 -14.144 -1.458 6.682 938 HB3 LYS 123 1HB LYS 123 -15.305 -0.900 7.887 939 HG2 LYS 123 2HG LYS 123 -15.597 -0.787 4.871 940 HG3 LYS 123 1HG LYS 123 -16.574 -1.712 6.005 941 HD2 LYS 123 2HD LYS 123 -17.364 0.426 7.022 942 HD3 LYS 123 1HD LYS 123 -16.456 1.316 5.799 943 HE2 LYS 123 2HE LYS 123 -18.049 0.997 4.255 944 HE3 LYS 123 1HE LYS 123 -18.099 -0.737 4.575 945 HZ1 LYS 123 1HZ LYS 123 -19.371 -0.039 6.678 946 HZ2 LYS 123 2HZ LYS 123 -20.193 -0.030 5.192 947 HZ3 LYS 123 3HZ LYS 123 -19.631 1.425 5.864 948 H LEU 124 H LEU 124 -12.176 2.142 6.479 949 HA LEU 124 HA LEU 124 -10.320 0.505 8.004 950 HB2 LEU 124 2HB LEU 124 -10.127 3.288 6.825 951 HB3 LEU 124 1HB LEU 124 -8.807 2.539 7.717 952 HG LEU 124 HG LEU 124 -10.083 1.471 5.180 953 HD11 LEU 124 1HD1 LEU 124 -7.218 2.322 5.583 954 HD12 LEU 124 2HD1 LEU 124 -8.454 3.504 5.158 955 HD13 LEU 124 3HD1 LEU 124 -8.113 2.156 4.074 956 HD21 LEU 124 1HD2 LEU 124 -7.847 0.014 5.474 957 HD22 LEU 124 2HD2 LEU 124 -9.382 -0.495 6.176 958 HD23 LEU 124 3HD2 LEU 124 -8.181 0.319 7.178 959 H HIS 125 H HIS 125 -12.213 3.419 8.525 960 HA HIS 125 HA HIS 125 -11.177 4.470 10.852 961 HB2 HIS 125 2HB HIS 125 -13.096 5.486 9.806 962 HB3 HIS 125 1HB HIS 125 -14.084 4.068 10.154 963 HD1 HIS 125 1HD HIS 125 -11.713 5.977 12.448 964 HD2 HIS 125 2HD HIS 125 -15.741 4.919 12.211 965 HE1 HIS 125 1HE HIS 125 -12.781 6.734 14.616 966 HE2 HIS 125 2HE HIS 125 -15.235 6.103 14.479 967 H ARG 126 H ARG 126 -12.341 1.281 10.544 968 HA ARG 126 HA ARG 126 -13.450 0.762 13.073 969 HB2 ARG 126 2HB ARG 126 -11.564 -0.920 11.418 970 HB3 ARG 126 1HB ARG 126 -12.385 -1.518 12.859 971 HG2 ARG 126 2HG ARG 126 -14.558 -1.038 11.851 972 HG3 ARG 126 1HG ARG 126 -13.774 -0.369 10.424 973 HD2 ARG 126 2HD ARG 126 -12.632 -2.611 10.130 974 HD3 ARG 126 1HD ARG 126 -13.692 -3.233 11.395 975 HE ARG 126 HE ARG 126 -14.459 -2.755 8.656 976 HH11 ARG 126 1HH1 ARG 126 -16.649 -2.993 8.151 977 HH12 ARG 126 2HH1 ARG 126 -17.825 -2.978 9.422 978 HH21 ARG 126 1HH2 ARG 126 -15.483 -2.542 11.942 979 HH22 ARG 126 2HH2 ARG 126 -17.165 -2.722 11.569 980 H HIS 127 H HIS 127 -10.090 1.313 12.154 981 HA HIS 127 HA HIS 127 -9.137 0.711 14.863 982 HB2 HIS 127 2HB HIS 127 -6.947 1.587 13.972 983 HB3 HIS 127 1HB HIS 127 -7.599 0.218 13.080 984 HD1 HIS 127 1HD HIS 127 -9.642 2.972 12.151 985 HD2 HIS 127 2HD HIS 127 -5.803 1.745 11.086 986 HE1 HIS 127 1HE HIS 127 -9.116 4.093 9.942 987 HE2 HIS 127 2HE HIS 127 -6.775 3.367 9.292 988 H GLY 128 H GLY 128 -10.231 3.476 13.072 989 HA2 GLY 128 2HA GLY 128 -10.190 5.789 13.602 990 HA3 GLY 128 1HA GLY 128 -10.864 5.163 15.107 991 H ASP 129 H ASP 129 -9.849 6.649 16.473 992 HA ASP 129 HA ASP 129 -8.081 7.700 17.624 993 HB2 ASP 129 2HB ASP 129 -6.995 4.886 17.279 994 HB3 ASP 129 1HB ASP 129 -6.374 6.073 18.426 995 H GLY 130 H GLY 130 -5.228 6.776 17.291 996 HA2 GLY 130 2HA GLY 130 -4.517 8.599 15.153 997 HA3 GLY 130 1HA GLY 130 -3.390 7.588 16.065 998 H ALA 131 H ALA 131 -6.146 6.887 13.913 999 HA ALA 131 HA ALA 131 -4.992 4.503 12.857 1000 HB1 ALA 131 1HB ALA 131 -7.265 6.289 12.148 1001 HB2 ALA 131 2HB ALA 131 -7.245 4.547 12.427 1002 HB3 ALA 131 3HB ALA 131 -6.677 5.202 10.892 1003 H TRP 132 H TRP 132 -5.257 7.752 11.315 1004 HA TRP 132 HA TRP 132 -3.715 7.056 9.028 1005 HB2 TRP 132 2HB TRP 132 -5.038 9.178 9.249 1006 HB3 TRP 132 1HB TRP 132 -3.791 9.789 10.341 1007 HD1 TRP 132 HD TRP 132 -1.302 10.049 9.309 1008 HE1 TRP 132 1HE TRP 132 -0.534 10.529 6.898 1009 HE3 TRP 132 3HE TRP 132 -5.592 8.888 6.759 1010 HZ2 TRP 132 2HZ TRP 132 -1.584 10.434 4.251 1011 HZ3 TRP 132 3HZ TRP 132 -5.667 9.098 4.292 1012 HH2 TRP 132 HH TRP 132 -3.674 9.871 3.035 1013 H ASN 133 H ASN 133 -2.745 8.096 12.260 1014 HA ASN 133 HA ASN 133 -0.025 8.667 11.760 1015 HB2 ASN 133 2HB ASN 133 -1.312 7.328 14.157 1016 HB3 ASN 133 1HB ASN 133 0.354 7.901 14.125 1017 HD21 ASN 133 1HD2 ASN 133 -1.556 9.013 15.949 1018 HD22 ASN 133 2HD2 ASN 133 -1.855 10.622 15.499 1019 H ILE 134 H ILE 134 -1.664 5.576 12.235 1020 HA ILE 134 HA ILE 134 0.575 3.857 12.284 1021 HB ILE 134 HB ILE 134 -2.164 3.395 11.103 1022 HG12 ILE 134 2HG1 ILE 134 -1.077 2.716 13.852 1023 HG13 ILE 134 1HG1 ILE 134 -2.104 4.111 13.512 1024 HG21 ILE 134 1HG2 ILE 134 0.104 1.559 11.855 1025 HG22 ILE 134 2HG2 ILE 134 -0.739 1.673 10.311 1026 HG23 ILE 134 3HG2 ILE 134 -1.557 0.987 11.713 1027 HD11 ILE 134 1HD1 ILE 134 -3.652 2.486 14.205 1028 HD12 ILE 134 2HD1 ILE 134 -2.797 1.184 13.377 1029 HD13 ILE 134 3HD1 ILE 134 -3.720 2.366 12.447 1030 H HIS 135 H HIS 135 -1.393 5.093 9.633 1031 HA HIS 135 HA HIS 135 0.034 3.850 7.482 1032 HB2 HIS 135 2HB HIS 135 -2.141 4.643 7.001 1033 HB3 HIS 135 1HB HIS 135 -1.813 6.223 7.713 1034 HD1 HIS 135 1HD HIS 135 0.725 4.712 5.421 1035 HD2 HIS 135 2HD HIS 135 -2.363 7.516 5.220 1036 HE1 HIS 135 1HE HIS 135 1.015 5.938 3.223 1037 HE2 HIS 135 2HE HIS 135 -0.860 7.644 3.085 1038 H LYS 136 H LYS 136 0.480 6.875 9.231 1039 HA LYS 136 HA LYS 136 2.193 8.208 7.435 1040 HB2 LYS 136 2HB LYS 136 1.231 9.208 9.499 1041 HB3 LYS 136 1HB LYS 136 2.362 8.257 10.448 1042 HG2 LYS 136 2HG LYS 136 4.240 9.330 9.247 1043 HG3 LYS 136 1HG LYS 136 3.082 10.327 8.376 1044 HD2 LYS 136 2HD LYS 136 2.246 11.188 10.574 1045 HD3 LYS 136 1HD LYS 136 3.541 10.293 11.368 1046 HE2 LYS 136 2HE LYS 136 5.032 11.584 9.567 1047 HE3 LYS 136 1HE LYS 136 3.697 12.733 9.654 1048 HZ1 LYS 136 1HZ LYS 136 5.677 12.034 11.659 1049 HZ2 LYS 136 2HZ LYS 136 4.091 12.240 12.234 1050 HZ3 LYS 136 3HZ LYS 136 4.866 13.500 11.398 1051 H ALA 137 H ALA 137 3.057 5.756 9.892 1052 HA ALA 137 HA ALA 137 5.903 6.057 9.314 1053 HB1 ALA 137 1HB ALA 137 5.043 5.033 11.450 1054 HB2 ALA 137 2HB ALA 137 6.288 4.100 10.626 1055 HB3 ALA 137 3HB ALA 137 4.605 3.615 10.493 1056 H LEU 138 H LEU 138 3.226 4.182 8.126 1057 HA LEU 138 HA LEU 138 4.683 2.254 6.612 1058 HB2 LEU 138 2HB LEU 138 2.064 2.614 7.040 1059 HB3 LEU 138 1HB LEU 138 2.175 3.483 5.506 1060 HG LEU 138 HG LEU 138 2.975 0.612 6.030 1061 HD11 LEU 138 1HD1 LEU 138 1.207 1.049 3.805 1062 HD12 LEU 138 2HD1 LEU 138 0.538 1.831 5.238 1063 HD13 LEU 138 3HD1 LEU 138 0.919 0.109 5.269 1064 HD21 LEU 138 1HD2 LEU 138 3.457 2.457 3.700 1065 HD22 LEU 138 2HD2 LEU 138 3.335 0.714 3.461 1066 HD23 LEU 138 3HD2 LEU 138 4.594 1.374 4.504 1067 H ASP 139 H ASP 139 3.846 5.627 6.153 1068 HA ASP 139 HA ASP 139 5.987 6.031 4.278 1069 HB2 ASP 139 2HB ASP 139 4.304 4.789 2.864 1070 HB3 ASP 139 1HB ASP 139 3.260 6.185 3.039 1071 H GLY 140 H GLY 140 2.695 7.334 4.840 1072 HA2 GLY 140 2HA GLY 140 2.025 9.558 5.254 1073 HA3 GLY 140 1HA GLY 140 3.491 9.650 6.232 1074 HA PRO 141 HA PRO 141 4.944 10.952 1.828 1075 HB2 PRO 141 2HB PRO 141 3.016 11.192 -0.114 1076 HB3 PRO 141 1HB PRO 141 3.958 9.714 0.171 1077 HG2 PRO 141 2HG PRO 141 1.181 10.373 0.974 1078 HG3 PRO 141 1HG PRO 141 1.878 8.826 0.469 1079 HD2 PRO 141 2HD PRO 141 1.348 9.480 3.091 1080 HD3 PRO 141 1HD PRO 141 2.579 8.302 2.597 1081 H SER 142 H SER 142 5.156 13.078 1.043 1082 HA SER 142 HA SER 142 3.995 15.213 2.469 1083 HB2 SER 142 2HB SER 142 5.363 16.467 1.134 1084 HB3 SER 142 1HB SER 142 5.906 14.925 0.489 1085 HG SER 142 HG SER 142 4.225 15.101 -1.077 1086 HA PRO 143 HA PRO 143 -0.008 16.238 0.820 1087 HB2 PRO 143 2HB PRO 143 1.152 18.040 -1.283 1088 HB3 PRO 143 1HB PRO 143 -0.224 18.321 -0.193 1089 HG2 PRO 143 2HG PRO 143 2.135 19.424 0.301 1090 HG3 PRO 143 1HG PRO 143 1.131 18.790 1.617 1091 HD2 PRO 143 2HD PRO 143 3.626 17.671 0.452 1092 HD3 PRO 143 1HD PRO 143 2.987 17.505 2.101 1093 H GLY 144 H GLY 144 2.488 15.108 -1.225 1094 HA2 GLY 144 2HA GLY 144 0.953 14.609 -3.611 1095 HA3 GLY 144 1HA GLY 144 2.470 13.817 -3.185 1096 H GLU 145 H GLU 145 0.037 12.576 -4.277 1097 HA GLU 145 HA GLU 145 -0.945 10.977 -1.988 1098 HB2 GLU 145 2HB GLU 145 -1.790 10.954 -4.891 1099 HB3 GLU 145 1HB GLU 145 -2.592 10.093 -3.580 1100 HG2 GLU 145 2HG GLU 145 -2.260 13.104 -3.745 1101 HG3 GLU 145 1HG GLU 145 -3.742 12.226 -4.120 1102 H THR 146 H THR 146 -1.045 8.549 -2.355 1103 HA THR 146 HA THR 146 1.533 7.489 -2.863 1104 HB THR 146 HB THR 146 -1.174 6.152 -2.963 1105 HG1 THR 146 1HG THR 146 -0.879 6.654 -0.922 1106 HG21 THR 146 1HG2 THR 146 0.207 4.055 -2.596 1107 HG22 THR 146 2HG2 THR 146 1.620 5.012 -3.042 1108 HG23 THR 146 3HG2 THR 146 0.317 4.766 -4.207 1109 H LEU 147 H LEU 147 -1.267 7.884 -4.962 1110 HA LEU 147 HA LEU 147 -0.240 6.465 -7.211 1111 HB2 LEU 147 2HB LEU 147 -2.175 8.793 -7.112 1112 HB3 LEU 147 1HB LEU 147 -1.942 7.706 -8.477 1113 HG LEU 147 HG LEU 147 -2.390 5.851 -6.592 1114 HD11 LEU 147 1HD1 LEU 147 -3.642 8.386 -5.545 1115 HD12 LEU 147 2HD1 LEU 147 -2.818 7.102 -4.665 1116 HD13 LEU 147 3HD1 LEU 147 -4.442 6.840 -5.290 1117 HD21 LEU 147 1HD2 LEU 147 -4.628 7.428 -7.897 1118 HD22 LEU 147 2HD2 LEU 147 -4.684 5.739 -7.397 1119 HD23 LEU 147 3HD2 LEU 147 -3.643 6.226 -8.733 1120 H ALA 148 H ALA 148 0.175 9.751 -6.020 1121 HA ALA 148 HA ALA 148 1.405 10.789 -8.425 1122 HB1 ALA 148 1HB ALA 148 1.126 12.735 -7.341 1123 HB2 ALA 148 2HB ALA 148 2.224 12.217 -6.060 1124 HB3 ALA 148 3HB ALA 148 0.504 11.830 -5.959 1125 H ARG 149 H ARG 149 2.800 9.863 -5.259 1126 HA ARG 149 HA ARG 149 5.490 10.379 -6.033 1127 HB2 ARG 149 2HB ARG 149 6.077 8.956 -4.058 1128 HB3 ARG 149 1HB ARG 149 4.910 10.225 -3.696 1129 HG2 ARG 149 2HG ARG 149 3.633 8.578 -2.814 1130 HG3 ARG 149 1HG ARG 149 3.305 8.108 -4.479 1131 HD2 ARG 149 2HD ARG 149 4.087 6.116 -3.463 1132 HD3 ARG 149 1HD ARG 149 5.491 6.740 -4.330 1133 HE ARG 149 HE ARG 149 5.856 7.853 -1.880 1134 HH11 ARG 149 1HH1 ARG 149 6.822 6.834 -0.109 1135 HH12 ARG 149 2HH1 ARG 149 6.744 5.110 0.030 1136 HH21 ARG 149 1HH2 ARG 149 4.952 4.687 -2.908 1137 HH22 ARG 149 2HH2 ARG 149 5.686 3.895 -1.555 1138 H PHE 150 H PHE 150 3.711 7.268 -5.959 1139 HA PHE 150 HA PHE 150 6.008 5.807 -6.945 1140 HB2 PHE 150 2HB PHE 150 4.800 3.999 -6.388 1141 HB3 PHE 150 1HB PHE 150 3.596 5.127 -5.755 1142 HD1 PHE 150 1HD PHE 150 4.223 2.561 -8.143 1143 HD2 PHE 150 2HD PHE 150 1.937 6.121 -7.476 1144 HE1 PHE 150 1HE PHE 150 2.622 1.855 -9.898 1145 HE2 PHE 150 2HE PHE 150 0.319 5.422 -9.220 1146 HZ PHE 150 HZ PHE 150 0.671 3.281 -10.437 1147 H ALA 151 H ALA 151 3.149 7.238 -8.506 1148 HA ALA 151 HA ALA 151 3.582 5.947 -11.045 1149 HB1 ALA 151 1HB ALA 151 2.222 8.593 -10.476 1150 HB2 ALA 151 2HB ALA 151 1.433 7.015 -10.433 1151 HB3 ALA 151 3HB ALA 151 2.066 7.645 -11.953 1152 H ASN 152 H ASN 152 4.614 9.076 -9.733 1153 HA ASN 152 HA ASN 152 5.814 10.105 -12.095 1154 HB2 ASN 152 2HB ASN 152 6.532 10.521 -9.196 1155 HB3 ASN 152 1HB ASN 152 7.173 11.479 -10.522 1156 HD21 ASN 152 1HD2 ASN 152 5.546 12.584 -8.390 1157 HD22 ASN 152 2HD2 ASN 152 4.094 13.134 -9.085 1158 H VAL 153 H VAL 153 7.263 8.246 -9.441 1159 HA VAL 153 HA VAL 153 9.909 8.230 -10.497 1160 HB VAL 153 HB VAL 153 10.198 6.233 -8.976 1161 HG11 VAL 153 1HG1 VAL 153 10.612 8.417 -8.063 1162 HG12 VAL 153 2HG1 VAL 153 9.587 7.582 -6.895 1163 HG13 VAL 153 3HG1 VAL 153 8.887 8.779 -7.987 1164 HG21 VAL 153 1HG2 VAL 153 7.995 5.257 -9.131 1165 HG22 VAL 153 2HG2 VAL 153 7.247 6.752 -8.579 1166 HG23 VAL 153 3HG2 VAL 153 8.220 5.803 -7.475 1167 H ILE 154 H ILE 154 7.188 5.999 -10.989 1168 HA ILE 154 HA ILE 154 8.685 4.028 -12.400 1169 HB ILE 154 HB ILE 154 5.763 4.777 -12.492 1170 HG12 ILE 154 2HG1 ILE 154 7.239 2.458 -11.235 1171 HG13 ILE 154 1HG1 ILE 154 6.684 3.876 -10.366 1172 HG21 ILE 154 1HG2 ILE 154 5.511 2.494 -13.554 1173 HG22 ILE 154 2HG2 ILE 154 7.257 2.502 -13.802 1174 HG23 ILE 154 3HG2 ILE 154 6.249 3.715 -14.589 1175 HD11 ILE 154 1HD1 ILE 154 4.370 3.385 -10.939 1176 HD12 ILE 154 2HD1 ILE 154 5.092 1.970 -10.172 1177 HD13 ILE 154 3HD1 ILE 154 4.876 2.012 -11.922 1178 HBB 96F 201 HBB SUM 155 -1.097 10.550 1.622 1179 HBC 96F 201 HBC SUM 155 -2.823 10.805 1.271 1180 HBA 96F 201 HBA SUM 155 -1.655 10.660 -0.064 1181 HA2 96F 201 2HA SUM 155 -2.537 8.471 1.865 1182 HA1 96F 201 1HA SUM 155 -1.175 8.299 0.735 1183 HAY 96F 201 HAY SUM 155 -4.678 8.988 1.157 1184 HAZ 96F 201 HAZ SUM 155 -5.244 8.515 -0.464 1185 HA0 96F 201 0HA SUM 155 -4.478 10.101 -0.219 1186 HBE 96F 201 HBE SUM 155 -1.806 9.521 -1.285 1187 H1 96F 201 HAV SUM 155 -3.888 7.018 -2.461 1188 HAS 96F 201 HAS SUM 155 -6.669 5.258 -4.440 1189 HAT 96F 201 HAT SUM 155 -5.664 6.375 -3.485 1190 HAU 96F 201 HAU SUM 155 -6.322 4.905 -2.730 1191 HAK 96F 201 HAK SUM 155 -5.447 4.335 -6.050 1192 HAF 96F 201 HAF SUM 155 -2.780 2.293 -9.504 1193 HAE 96F 201 HAE SUM 155 -0.675 1.216 -10.235 1194 HAD 96F 201 HAD SUM 155 1.187 0.907 -8.619 1195 HAR 96F 201 HAR SUM 155 0.793 1.020 -5.360 1196 HAQ 96F 201 HAQ SUM 155 -2.356 2.298 -2.351 Start of MODEL 15 1 H MET 1 1HT MET 1 -4.620 13.472 5.477 2 HA MET 1 HA MET 1 -2.351 13.505 7.285 3 HB2 MET 1 2HB MET 1 -3.758 15.287 5.616 4 HB3 MET 1 1HB MET 1 -4.097 15.814 7.265 5 HG2 MET 1 2HG MET 1 -1.718 15.911 7.773 6 HG3 MET 1 1HG MET 1 -1.321 15.250 6.186 7 HE1 MET 1 1HE MET 1 0.253 17.110 6.582 8 HE2 MET 1 2HE MET 1 0.017 18.756 6.000 9 HE3 MET 1 3HE MET 1 0.039 17.419 4.852 10 HA PRO 2 HA PRO 2 -6.213 14.377 10.184 11 HB2 PRO 2 2HB PRO 2 -8.194 12.572 8.932 12 HB3 PRO 2 1HB PRO 2 -8.403 14.222 9.550 13 HG2 PRO 2 2HG PRO 2 -8.392 13.658 6.927 14 HG3 PRO 2 1HG PRO 2 -7.773 15.186 7.578 15 HD2 PRO 2 2HD PRO 2 -6.255 12.817 6.562 16 HD3 PRO 2 1HD PRO 2 -5.849 14.547 6.466 17 H GLU 3 H GLU 3 -6.564 13.081 12.025 18 HA GLU 3 HA GLU 3 -5.106 10.633 12.225 19 HB2 GLU 3 2HB GLU 3 -7.251 11.812 14.016 20 HB3 GLU 3 1HB GLU 3 -6.233 10.441 14.448 21 HG2 GLU 3 2HG GLU 3 -4.218 11.858 14.130 22 HG3 GLU 3 1HG GLU 3 -5.264 13.233 13.774 23 H GLU 4 H GLU 4 -8.425 11.360 11.404 24 HA GLU 4 HA GLU 4 -9.191 8.502 11.584 25 HB2 GLU 4 2HB GLU 4 -10.727 10.299 12.412 26 HB3 GLU 4 1HB GLU 4 -10.853 10.879 10.753 27 HG2 GLU 4 2HG GLU 4 -11.683 8.635 10.060 28 HG3 GLU 4 1HG GLU 4 -11.646 8.130 11.752 29 H ILE 5 H ILE 5 -9.608 7.249 9.765 30 HA ILE 5 HA ILE 5 -9.063 8.542 7.121 31 HB ILE 5 HB ILE 5 -8.686 5.643 7.257 32 HG12 ILE 5 2HG1 ILE 5 -7.926 6.266 9.536 33 HG13 ILE 5 1HG1 ILE 5 -6.614 5.690 8.520 34 HG21 ILE 5 1HG2 ILE 5 -6.986 7.970 6.378 35 HG22 ILE 5 2HG2 ILE 5 -8.005 6.964 5.348 36 HG23 ILE 5 3HG2 ILE 5 -6.578 6.275 6.125 37 HD11 ILE 5 1HD1 ILE 5 -5.545 7.643 8.669 38 HD12 ILE 5 2HD1 ILE 5 -6.717 8.120 9.896 39 HD13 ILE 5 3HD1 ILE 5 -6.993 8.535 8.205 40 HA PRO 6 HA PRO 6 -13.353 6.874 6.903 41 HB2 PRO 6 2HB PRO 6 -13.931 9.011 5.038 42 HB3 PRO 6 1HB PRO 6 -14.579 8.768 6.668 43 HG2 PRO 6 2HG PRO 6 -12.855 10.787 5.915 44 HG3 PRO 6 1HG PRO 6 -13.149 10.245 7.573 45 HD2 PRO 6 2HD PRO 6 -10.815 9.712 5.809 46 HD3 PRO 6 1HD PRO 6 -10.907 9.768 7.584 47 H ASP 7 H ASP 7 -14.587 6.146 4.914 48 HA ASP 7 HA ASP 7 -12.853 4.842 3.053 49 HB2 ASP 7 2HB ASP 7 -15.013 4.361 1.830 50 HB3 ASP 7 1HB ASP 7 -15.026 3.894 3.529 51 H VAL 8 H VAL 8 -11.918 5.657 1.251 52 HA VAL 8 HA VAL 8 -13.269 7.874 -0.189 53 HB VAL 8 HB VAL 8 -11.607 8.949 1.283 54 HG11 VAL 8 1HG1 VAL 8 -9.962 7.270 1.633 55 HG12 VAL 8 2HG1 VAL 8 -9.155 8.519 0.692 56 HG13 VAL 8 3HG1 VAL 8 -9.703 7.044 -0.094 57 HG21 VAL 8 1HG2 VAL 8 -10.656 8.938 -1.591 58 HG22 VAL 8 2HG2 VAL 8 -10.512 10.254 -0.427 59 HG23 VAL 8 3HG2 VAL 8 -12.099 9.790 -1.043 60 H ARG 9 H ARG 9 -12.988 7.783 -2.429 61 HA ARG 9 HA ARG 9 -11.379 5.459 -3.427 62 HB2 ARG 9 2HB ARG 9 -13.831 5.200 -3.721 63 HB3 ARG 9 1HB ARG 9 -13.863 6.705 -4.642 64 HG2 ARG 9 2HG ARG 9 -12.265 5.704 -6.273 65 HG3 ARG 9 1HG ARG 9 -12.346 4.185 -5.380 66 HD2 ARG 9 2HD ARG 9 -14.802 4.120 -5.763 67 HD3 ARG 9 1HD ARG 9 -14.672 5.595 -6.721 68 HE ARG 9 HE ARG 9 -13.735 4.317 -8.485 69 HH11 ARG 9 1HH1 ARG 9 -13.196 2.338 -9.433 70 HH12 ARG 9 2HH1 ARG 9 -13.082 0.921 -8.445 71 HH21 ARG 9 1HH2 ARG 9 -13.885 2.582 -5.509 72 HH22 ARG 9 2HH2 ARG 9 -13.473 1.059 -6.222 73 H LYS 10 H LYS 10 -9.709 5.994 -4.750 74 HA LYS 10 HA LYS 10 -9.874 8.553 -6.278 75 HB2 LYS 10 2HB LYS 10 -7.491 7.565 -4.683 76 HB3 LYS 10 1HB LYS 10 -7.469 8.951 -5.778 77 HG2 LYS 10 2HG LYS 10 -9.288 9.995 -4.417 78 HG3 LYS 10 1HG LYS 10 -9.162 8.650 -3.283 79 HD2 LYS 10 2HD LYS 10 -6.762 9.209 -2.928 80 HD3 LYS 10 1HD LYS 10 -6.955 10.605 -3.989 81 HE2 LYS 10 2HE LYS 10 -9.064 10.839 -2.179 82 HE3 LYS 10 1HE LYS 10 -7.708 10.298 -1.189 83 HZ1 LYS 10 1HZ LYS 10 -7.968 12.784 -1.574 84 HZ2 LYS 10 2HZ LYS 10 -7.411 12.488 -3.151 85 HZ3 LYS 10 3HZ LYS 10 -6.427 12.119 -1.815 86 H SER 11 H SER 11 -8.848 8.488 -8.311 87 HA SER 11 HA SER 11 -7.416 5.996 -9.056 88 HB2 SER 11 2HB SER 11 -8.784 5.654 -11.034 89 HB3 SER 11 1HB SER 11 -9.845 5.695 -9.626 90 HG SER 11 HG SER 11 -10.741 7.428 -10.402 91 H VAL 12 H VAL 12 -5.902 6.336 -10.730 92 HA VAL 12 HA VAL 12 -5.872 8.907 -12.152 93 HB VAL 12 HB VAL 12 -3.827 8.197 -10.060 94 HG11 VAL 12 1HG1 VAL 12 -2.580 10.219 -11.034 95 HG12 VAL 12 2HG1 VAL 12 -3.572 9.992 -12.475 96 HG13 VAL 12 3HG1 VAL 12 -2.476 8.715 -11.950 97 HG21 VAL 12 1HG2 VAL 12 -5.563 10.596 -10.670 98 HG22 VAL 12 2HG2 VAL 12 -4.217 10.663 -9.535 99 HG23 VAL 12 3HG2 VAL 12 -5.581 9.592 -9.221 100 H VAL 13 H VAL 13 -4.285 8.927 -13.885 101 HA VAL 13 HA VAL 13 -3.536 6.173 -14.715 102 HB VAL 13 HB VAL 13 -3.624 8.733 -16.345 103 HG11 VAL 13 1HG1 VAL 13 -2.848 5.908 -16.891 104 HG12 VAL 13 2HG1 VAL 13 -2.247 7.400 -17.616 105 HG13 VAL 13 3HG1 VAL 13 -3.793 6.729 -18.133 106 HG21 VAL 13 1HG2 VAL 13 -5.837 8.387 -16.598 107 HG22 VAL 13 2HG2 VAL 13 -5.741 7.123 -15.371 108 HG23 VAL 13 3HG2 VAL 13 -5.554 6.713 -17.076 109 H VAL 14 H VAL 14 -1.400 5.606 -14.854 110 HA VAL 14 HA VAL 14 0.626 7.793 -14.636 111 HB VAL 14 HB VAL 14 1.937 6.384 -13.116 112 HG11 VAL 14 1HG1 VAL 14 0.831 7.389 -11.434 113 HG12 VAL 14 2HG1 VAL 14 -0.480 6.217 -11.566 114 HG13 VAL 14 3HG1 VAL 14 -0.510 7.688 -12.538 115 HG21 VAL 14 1HG2 VAL 14 0.180 4.360 -14.062 116 HG22 VAL 14 2HG2 VAL 14 -0.085 4.512 -12.326 117 HG23 VAL 14 3HG2 VAL 14 1.534 4.181 -12.944 118 H ALA 15 H ALA 15 2.837 7.046 -15.344 119 HA ALA 15 HA ALA 15 2.592 5.536 -17.839 120 HB1 ALA 15 1HB ALA 15 4.972 6.101 -18.136 121 HB2 ALA 15 2HB ALA 15 5.031 6.717 -16.484 122 HB3 ALA 15 3HB ALA 15 4.041 7.534 -17.696 123 H ALA 16 H ALA 16 2.193 3.343 -17.239 124 HA ALA 16 HA ALA 16 4.507 1.768 -16.639 125 HB1 ALA 16 1HB ALA 16 3.485 2.956 -14.363 126 HB2 ALA 16 2HB ALA 16 4.478 1.499 -14.395 127 HB3 ALA 16 3HB ALA 16 2.721 1.367 -14.351 128 H SER 17 H SER 17 3.907 -0.565 -16.327 129 HA SER 17 HA SER 17 1.321 -1.137 -17.686 130 HB2 SER 17 2HB SER 17 3.397 -2.002 -18.776 131 HB3 SER 17 1HB SER 17 3.750 -2.922 -17.318 132 HG SER 17 HG SER 17 2.655 -4.293 -18.637 133 H VAL 18 H VAL 18 -0.122 -2.665 -16.680 134 HA VAL 18 HA VAL 18 -0.201 -2.644 -13.859 135 HB VAL 18 HB VAL 18 -1.928 -4.345 -14.046 136 HG11 VAL 18 1HG1 VAL 18 -3.420 -3.144 -15.448 137 HG12 VAL 18 2HG1 VAL 18 -2.118 -2.647 -16.526 138 HG13 VAL 18 3HG1 VAL 18 -2.242 -1.943 -14.918 139 HG21 VAL 18 1HG2 VAL 18 -0.583 -4.829 -16.684 140 HG22 VAL 18 2HG2 VAL 18 -2.308 -5.161 -16.528 141 HG23 VAL 18 3HG2 VAL 18 -1.152 -6.001 -15.494 142 H GLU 19 H GLU 19 1.192 -5.040 -16.076 143 HA GLU 19 HA GLU 19 1.865 -6.981 -14.096 144 HB2 GLU 19 2HB GLU 19 3.207 -6.258 -16.708 145 HB3 GLU 19 1HB GLU 19 3.617 -7.675 -15.751 146 HG2 GLU 19 2HG GLU 19 1.262 -8.451 -15.932 147 HG3 GLU 19 1HG GLU 19 0.905 -7.058 -16.954 148 H HIS 20 H HIS 20 3.512 -4.113 -15.324 149 HA HIS 20 HA HIS 20 5.934 -4.429 -13.814 150 HB2 HIS 20 2HB HIS 20 5.959 -2.864 -15.632 151 HB3 HIS 20 1HB HIS 20 4.571 -1.990 -14.978 152 HD1 HIS 20 1HD HIS 20 8.249 -2.247 -14.745 153 HD2 HIS 20 2HD HIS 20 5.177 -0.537 -12.485 154 HE1 HIS 20 1HE HIS 20 9.348 -0.684 -13.087 155 HE2 HIS 20 2HE HIS 20 7.493 0.370 -11.727 156 H CYS 21 H CYS 21 2.877 -2.761 -13.171 157 HA CYS 21 HA CYS 21 3.522 -1.410 -10.817 158 HB2 CYS 21 2HB CYS 21 0.979 -2.887 -11.548 159 HB3 CYS 21 1HB CYS 21 1.117 -1.777 -10.188 160 HG CYS 21 HG CYS 21 1.412 -0.905 -13.174 161 H PHE 22 H PHE 22 2.586 -4.817 -11.211 162 HA PHE 22 HA PHE 22 2.929 -5.259 -8.341 163 HB2 PHE 22 2HB PHE 22 1.781 -6.760 -10.556 164 HB3 PHE 22 1HB PHE 22 2.756 -7.773 -9.478 165 HD1 PHE 22 1HD PHE 22 -0.003 -5.297 -9.586 166 HD2 PHE 22 2HD PHE 22 2.081 -8.222 -7.234 167 HE1 PHE 22 1HE PHE 22 -1.724 -5.100 -7.823 168 HE2 PHE 22 2HE PHE 22 0.354 -8.038 -5.465 169 HZ PHE 22 HZ PHE 22 -1.548 -6.465 -5.766 170 H GLU 23 H GLU 23 4.848 -5.677 -11.240 171 HA GLU 23 HA GLU 23 6.781 -7.474 -10.163 172 HB2 GLU 23 2HB GLU 23 6.753 -6.804 -12.549 173 HB3 GLU 23 1HB GLU 23 7.213 -5.170 -12.078 174 HG2 GLU 23 2HG GLU 23 9.289 -6.058 -11.056 175 HG3 GLU 23 1HG GLU 23 8.844 -7.677 -11.601 176 H VAL 24 H VAL 24 6.418 -3.966 -10.004 177 HA VAL 24 HA VAL 24 8.815 -3.462 -8.516 178 HB VAL 24 HB VAL 24 6.209 -1.936 -8.784 179 HG11 VAL 24 1HG1 VAL 24 8.476 -1.538 -6.998 180 HG12 VAL 24 2HG1 VAL 24 6.917 -0.719 -7.029 181 HG13 VAL 24 3HG1 VAL 24 8.228 -0.160 -8.066 182 HG21 VAL 24 1HG2 VAL 24 7.351 -2.001 -10.868 183 HG22 VAL 24 2HG2 VAL 24 8.926 -1.800 -10.101 184 HG23 VAL 24 3HG2 VAL 24 7.794 -0.450 -10.155 185 H PHE 25 H PHE 25 5.457 -4.139 -7.596 186 HA PHE 25 HA PHE 25 5.634 -3.658 -4.821 187 HB2 PHE 25 2HB PHE 25 4.033 -5.673 -6.405 188 HB3 PHE 25 1HB PHE 25 3.823 -5.438 -4.679 189 HD1 PHE 25 1HD PHE 25 4.713 -2.343 -6.382 190 HD2 PHE 25 2HD PHE 25 1.418 -4.957 -5.437 191 HE1 PHE 25 1HE PHE 25 3.132 -0.509 -6.790 192 HE2 PHE 25 2HE PHE 25 -0.158 -3.102 -5.859 193 HZ PHE 25 HZ PHE 25 0.704 -0.876 -6.527 194 H THR 26 H THR 26 6.338 -6.662 -6.615 195 HA THR 26 HA THR 26 7.378 -7.841 -4.104 196 HB THR 26 HB THR 26 7.422 -9.942 -5.366 197 HG1 THR 26 1HG THR 26 6.134 -9.189 -7.555 198 HG21 THR 26 1HG2 THR 26 4.838 -9.565 -6.241 199 HG22 THR 26 2HG2 THR 26 5.027 -8.274 -5.058 200 HG23 THR 26 3HG2 THR 26 5.294 -9.954 -4.582 201 H SER 27 H SER 27 8.649 -6.030 -6.642 202 HA SER 27 HA SER 27 11.203 -7.544 -6.673 203 HB2 SER 27 2HB SER 27 10.352 -6.850 -8.845 204 HB3 SER 27 1HB SER 27 10.321 -5.172 -8.312 205 HG SER 27 HG SER 27 12.531 -6.869 -8.761 206 H ARG 28 H ARG 28 10.007 -4.287 -5.742 207 HA ARG 28 HA ARG 28 12.082 -4.001 -3.783 208 HB2 ARG 28 2HB ARG 28 13.286 -2.095 -5.043 209 HB3 ARG 28 1HB ARG 28 13.690 -3.747 -5.475 210 HG2 ARG 28 2HG ARG 28 13.392 -2.655 -7.555 211 HG3 ARG 28 1HG ARG 28 11.881 -3.516 -7.316 212 HD2 ARG 28 2HD ARG 28 10.728 -1.530 -6.708 213 HD3 ARG 28 1HD ARG 28 12.230 -0.640 -6.448 214 HE ARG 28 HE ARG 28 10.941 -1.131 -9.034 215 HH11 ARG 28 1HH1 ARG 28 11.934 -0.105 -10.787 216 HH12 ARG 28 2HH1 ARG 28 13.515 0.574 -10.593 217 HH21 ARG 28 1HH2 ARG 28 13.797 -0.358 -7.265 218 HH22 ARG 28 2HH2 ARG 28 14.571 0.431 -8.599 219 HA PRO 29 HA PRO 29 8.447 -0.957 -3.983 220 HB2 PRO 29 2HB PRO 29 7.455 -1.675 -1.499 221 HB3 PRO 29 1HB PRO 29 6.855 -2.292 -3.050 222 HG2 PRO 29 2HG PRO 29 8.733 -3.540 -1.116 223 HG3 PRO 29 1HG PRO 29 7.471 -4.279 -2.107 224 HD2 PRO 29 2HD PRO 29 10.095 -4.463 -2.773 225 HD3 PRO 29 1HD PRO 29 8.818 -4.377 -4.004 226 H ALA 30 H ALA 30 10.440 -1.910 -1.203 227 HA ALA 30 HA ALA 30 10.249 0.683 0.068 228 HB1 ALA 30 1HB ALA 30 10.925 -0.655 1.740 229 HB2 ALA 30 2HB ALA 30 12.545 -0.561 1.047 230 HB3 ALA 30 3HB ALA 30 11.474 -1.893 0.614 231 H ASP 31 H ASP 31 12.511 -0.763 -2.222 232 HA ASP 31 HA ASP 31 14.693 1.000 -1.900 233 HB2 ASP 31 2HB ASP 31 14.519 -1.032 -3.450 234 HB3 ASP 31 1HB ASP 31 13.732 0.055 -4.597 235 H TRP 32 H TRP 32 11.602 1.527 -3.537 236 HA TRP 32 HA TRP 32 12.570 4.194 -4.421 237 HB2 TRP 32 2HB TRP 32 11.160 3.955 -6.167 238 HB3 TRP 32 1HB TRP 32 10.846 2.312 -5.616 239 HD1 TRP 32 HD TRP 32 9.568 5.883 -4.872 240 HE1 TRP 32 1HE TRP 32 7.063 5.753 -4.306 241 HE3 TRP 32 3HE TRP 32 8.859 0.856 -5.234 242 HZ2 TRP 32 2HZ TRP 32 5.035 3.772 -4.056 243 HZ3 TRP 32 3HZ TRP 32 6.599 -0.126 -4.848 244 HH2 TRP 32 HH TRP 32 4.691 1.332 -4.262 245 H TRP 33 H TRP 33 12.379 5.740 -2.885 246 HA TRP 33 HA TRP 33 9.987 5.673 -1.097 247 HB2 TRP 33 2HB TRP 33 12.116 7.502 -0.301 248 HB3 TRP 33 1HB TRP 33 11.350 6.210 0.625 249 HD1 TRP 33 HD TRP 33 12.490 3.848 0.639 250 HE1 TRP 33 1HE TRP 33 14.808 3.012 -0.121 251 HE3 TRP 33 3HE TRP 33 14.018 7.868 -2.115 252 HZ2 TRP 33 2HZ TRP 33 17.018 3.927 -1.691 253 HZ3 TRP 33 3HZ TRP 33 16.231 7.859 -3.230 254 HH2 TRP 33 HH TRP 33 17.731 5.897 -3.022 255 HA PRO 34 HA PRO 34 8.113 9.343 -2.655 256 HB2 PRO 34 2HB PRO 34 8.884 10.628 -0.064 257 HB3 PRO 34 1HB PRO 34 7.318 10.620 -0.897 258 HG2 PRO 34 2HG PRO 34 7.863 9.033 1.211 259 HG3 PRO 34 1HG PRO 34 6.740 8.578 -0.079 260 HD2 PRO 34 2HD PRO 34 9.377 7.448 0.545 261 HD3 PRO 34 1HD PRO 34 8.101 6.802 -0.508 262 HA PRO 35 HA PRO 35 12.188 11.187 -3.864 263 HB2 PRO 35 2HB PRO 35 10.603 12.067 -6.202 264 HB3 PRO 35 1HB PRO 35 12.122 11.155 -6.151 265 HG2 PRO 35 2HG PRO 35 9.792 10.022 -6.834 266 HG3 PRO 35 1HG PRO 35 11.063 9.139 -5.972 267 HD2 PRO 35 2HD PRO 35 8.500 10.266 -4.912 268 HD3 PRO 35 1HD PRO 35 9.357 8.779 -4.450 269 H SER 36 H SER 36 9.156 12.463 -3.099 270 HA SER 36 HA SER 36 9.387 15.191 -3.843 271 HB2 SER 36 2HB SER 36 7.693 15.626 -2.197 272 HB3 SER 36 1HB SER 36 7.349 14.034 -2.870 273 HG SER 36 HG SER 36 8.730 14.614 -0.454 274 H HIS 37 H HIS 37 9.682 16.993 -2.158 275 HA HIS 37 HA HIS 37 12.342 17.097 -1.276 276 HB2 HIS 37 2HB HIS 37 10.770 19.050 -1.505 277 HB3 HIS 37 1HB HIS 37 10.017 18.553 0.010 278 HD1 HIS 37 1HD HIS 37 13.531 19.358 -1.264 279 HD2 HIS 37 2HD HIS 37 11.244 19.682 2.211 280 HE1 HIS 37 1HE HIS 37 14.971 20.569 0.434 281 HE2 HIS 37 2HE HIS 37 13.589 20.772 2.552 282 H VAL 38 H VAL 38 9.507 15.805 0.379 283 HA VAL 38 HA VAL 38 11.102 15.405 2.849 284 HB VAL 38 HB VAL 38 8.198 14.742 2.269 285 HG11 VAL 38 1HG1 VAL 38 8.315 13.612 4.213 286 HG12 VAL 38 2HG1 VAL 38 8.679 15.138 5.019 287 HG13 VAL 38 3HG1 VAL 38 9.991 14.104 4.450 288 HG21 VAL 38 1HG2 VAL 38 8.426 17.118 2.168 289 HG22 VAL 38 2HG2 VAL 38 9.563 17.138 3.517 290 HG23 VAL 38 3HG2 VAL 38 7.862 16.768 3.803 291 H LEU 39 H LEU 39 12.011 13.478 3.334 292 HA LEU 39 HA LEU 39 11.282 11.112 1.653 293 HB2 LEU 39 2HB LEU 39 13.902 11.643 3.086 294 HB3 LEU 39 1HB LEU 39 13.561 10.326 1.963 295 HG LEU 39 HG LEU 39 13.582 13.285 1.300 296 HD11 LEU 39 1HD1 LEU 39 15.309 11.723 -0.334 297 HD12 LEU 39 2HD1 LEU 39 15.620 11.262 1.340 298 HD13 LEU 39 3HD1 LEU 39 15.760 12.951 0.850 299 HD21 LEU 39 1HD2 LEU 39 11.958 12.452 -0.148 300 HD22 LEU 39 2HD2 LEU 39 12.670 10.840 -0.185 301 HD23 LEU 39 3HD2 LEU 39 13.420 12.156 -1.089 302 H VAL 40 H VAL 40 11.296 9.020 2.788 303 HA VAL 40 HA VAL 40 9.933 9.017 5.258 304 HB VAL 40 HB VAL 40 11.765 6.865 4.127 305 HG11 VAL 40 1HG1 VAL 40 9.478 6.613 6.111 306 HG12 VAL 40 2HG1 VAL 40 11.181 6.596 6.564 307 HG13 VAL 40 3HG1 VAL 40 10.529 5.316 5.544 308 HG21 VAL 40 1HG2 VAL 40 9.007 6.253 3.843 309 HG22 VAL 40 2HG2 VAL 40 10.167 6.609 2.564 310 HG23 VAL 40 3HG2 VAL 40 9.220 7.912 3.282 311 H LYS 41 H LYS 41 10.624 9.340 7.339 312 HA LYS 41 HA LYS 41 13.264 10.260 7.900 313 HB2 LYS 41 2HB LYS 41 11.142 9.158 9.753 314 HB3 LYS 41 1HB LYS 41 12.609 9.970 10.297 315 HG2 LYS 41 2HG LYS 41 11.946 11.970 8.951 316 HG3 LYS 41 1HG LYS 41 10.430 11.159 8.557 317 HD2 LYS 41 2HD LYS 41 9.924 10.985 10.990 318 HD3 LYS 41 1HD LYS 41 11.400 11.889 11.336 319 HE2 LYS 41 2HE LYS 41 10.023 13.702 11.232 320 HE3 LYS 41 1HE LYS 41 10.230 13.519 9.490 321 HZ1 LYS 41 1HZ LYS 41 7.923 12.970 11.145 322 HZ2 LYS 41 2HZ LYS 41 8.266 11.771 9.990 323 HZ3 LYS 41 3HZ LYS 41 8.009 13.377 9.500 324 H LYS 42 H LYS 42 11.759 7.072 8.176 325 HA LYS 42 HA LYS 42 14.304 5.934 9.172 326 HB2 LYS 42 2HB LYS 42 11.627 4.623 8.656 327 HB3 LYS 42 1HB LYS 42 13.006 3.875 9.447 328 HG2 LYS 42 2HG LYS 42 12.903 5.710 11.178 329 HG3 LYS 42 1HG LYS 42 11.381 6.222 10.445 330 HD2 LYS 42 2HD LYS 42 11.969 3.496 11.637 331 HD3 LYS 42 1HD LYS 42 10.908 4.730 12.320 332 HE2 LYS 42 2HE LYS 42 9.734 4.583 9.956 333 HE3 LYS 42 1HE LYS 42 10.487 2.988 9.917 334 HZ1 LYS 42 1HZ LYS 42 8.317 3.972 11.565 335 HZ2 LYS 42 2HZ LYS 42 9.470 3.032 12.387 336 HZ3 LYS 42 3HZ LYS 42 8.654 2.395 11.040 337 H GLU 43 H GLU 43 15.513 4.472 7.896 338 HA GLU 43 HA GLU 43 14.873 4.569 5.007 339 HB2 GLU 43 2HB GLU 43 17.176 5.123 5.805 340 HB3 GLU 43 1HB GLU 43 17.321 3.467 6.391 341 HG2 GLU 43 2HG GLU 43 16.880 2.643 4.079 342 HG3 GLU 43 1HG GLU 43 16.863 4.316 3.519 343 H ARG 44 H ARG 44 13.829 2.843 4.081 344 HA ARG 44 HA ARG 44 13.240 0.464 5.571 345 HB2 ARG 44 2HB ARG 44 13.164 0.998 2.589 346 HB3 ARG 44 1HB ARG 44 12.525 -0.459 3.350 347 HG2 ARG 44 2HG ARG 44 11.635 2.371 4.013 348 HG3 ARG 44 1HG ARG 44 10.757 1.261 2.969 349 HD2 ARG 44 2HD ARG 44 10.957 -0.361 5.054 350 HD3 ARG 44 1HD ARG 44 11.135 1.158 5.933 351 HE ARG 44 HE ARG 44 8.696 0.214 4.618 352 HH11 ARG 44 1HH1 ARG 44 6.886 1.531 4.928 353 HH12 ARG 44 2HH1 ARG 44 7.093 3.125 5.573 354 HH21 ARG 44 1HH2 ARG 44 10.538 2.851 5.855 355 HH22 ARG 44 2HH2 ARG 44 9.161 3.872 6.097 356 H ALA 45 H ALA 45 14.277 -1.544 5.578 357 HA ALA 45 HA ALA 45 17.051 -1.498 4.474 358 HB1 ALA 45 1HB ALA 45 17.099 -3.559 6.187 359 HB2 ALA 45 2HB ALA 45 15.761 -2.654 6.894 360 HB3 ALA 45 3HB ALA 45 17.345 -1.894 6.719 361 H GLY 46 H GLY 46 14.298 -3.744 4.946 362 HA2 GLY 46 2HA GLY 46 15.074 -5.059 2.402 363 HA3 GLY 46 1HA GLY 46 15.055 -6.066 3.846 364 H LEU 47 H LEU 47 13.364 -6.854 1.912 365 HA LEU 47 HA LEU 47 10.765 -6.397 3.167 366 HB2 LEU 47 2HB LEU 47 9.656 -5.712 1.070 367 HB3 LEU 47 1HB LEU 47 10.862 -4.528 1.585 368 HG LEU 47 HG LEU 47 12.346 -6.298 0.083 369 HD11 LEU 47 1HD1 LEU 47 11.036 -6.428 -2.071 370 HD12 LEU 47 2HD1 LEU 47 9.610 -5.937 -1.159 371 HD13 LEU 47 3HD1 LEU 47 10.418 -7.452 -0.776 372 HD21 LEU 47 1HD2 LEU 47 10.977 -3.738 -0.794 373 HD22 LEU 47 2HD2 LEU 47 12.375 -4.466 -1.583 374 HD23 LEU 47 3HD2 LEU 47 12.514 -3.848 0.061 375 H ALA 48 H ALA 48 9.489 -8.169 3.020 376 HA ALA 48 HA ALA 48 10.444 -10.357 1.228 377 HB1 ALA 48 1HB ALA 48 9.852 -11.886 2.849 378 HB2 ALA 48 2HB ALA 48 8.483 -10.923 3.399 379 HB3 ALA 48 3HB ALA 48 10.119 -10.504 3.913 380 H PHE 49 H PHE 49 9.023 -11.090 -0.346 381 HA PHE 49 HA PHE 49 6.196 -10.152 -0.196 382 HB2 PHE 49 2HB PHE 49 8.277 -9.356 -2.113 383 HB3 PHE 49 1HB PHE 49 6.785 -9.916 -2.864 384 HD1 PHE 49 1HD PHE 49 4.809 -8.592 -2.822 385 HD2 PHE 49 2HD PHE 49 8.176 -7.525 -0.387 386 HE1 PHE 49 1HE PHE 49 3.759 -6.406 -2.336 387 HE2 PHE 49 2HE PHE 49 7.125 -5.334 0.106 388 HZ PHE 49 HZ PHE 49 4.923 -4.776 -0.879 389 H GLU 50 H GLU 50 4.799 -11.776 -0.723 390 HA GLU 50 HA GLU 50 5.835 -13.939 -2.512 391 HB2 GLU 50 2HB GLU 50 4.523 -14.181 0.161 392 HB3 GLU 50 1HB GLU 50 4.292 -15.461 -1.025 393 HG2 GLU 50 2HG GLU 50 6.962 -14.388 -0.102 394 HG3 GLU 50 1HG GLU 50 6.207 -15.852 0.523 395 HA PRO 51 HA PRO 51 1.871 -12.927 -4.425 396 HB2 PRO 51 2HB PRO 51 1.949 -14.537 -6.544 397 HB3 PRO 51 1HB PRO 51 3.110 -13.206 -6.372 398 HG2 PRO 51 2HG PRO 51 3.490 -16.119 -5.853 399 HG3 PRO 51 1HG PRO 51 4.581 -14.966 -6.641 400 HD2 PRO 51 2HD PRO 51 4.784 -15.750 -3.976 401 HD3 PRO 51 1HD PRO 51 5.464 -14.252 -4.655 402 H PHE 52 H PHE 52 -0.204 -13.662 -3.948 403 HA PHE 52 HA PHE 52 -1.209 -16.267 -4.308 404 HB2 PHE 52 2HB PHE 52 -1.291 -16.844 -1.739 405 HB3 PHE 52 1HB PHE 52 0.126 -17.275 -2.688 406 HD1 PHE 52 1HD PHE 52 -0.294 -13.686 -2.063 407 HD2 PHE 52 2HD PHE 52 1.329 -17.329 -0.448 408 HE1 PHE 52 1HE PHE 52 1.169 -12.378 -0.605 409 HE2 PHE 52 2HE PHE 52 2.766 -15.985 1.064 410 HZ PHE 52 HZ PHE 52 2.664 -13.500 0.987 411 H VAL 53 H VAL 53 -3.117 -16.663 -2.560 412 HA VAL 53 HA VAL 53 -4.687 -14.137 -2.503 413 HB VAL 53 HB VAL 53 -6.198 -15.633 -3.358 414 HG11 VAL 53 1HG1 VAL 53 -4.558 -17.378 -3.711 415 HG12 VAL 53 2HG1 VAL 53 -6.000 -18.103 -3.000 416 HG13 VAL 53 3HG1 VAL 53 -4.580 -17.801 -1.997 417 HG21 VAL 53 1HG2 VAL 53 -7.621 -16.600 -1.695 418 HG22 VAL 53 2HG2 VAL 53 -6.929 -15.157 -0.957 419 HG23 VAL 53 3HG2 VAL 53 -6.293 -16.751 -0.545 420 H GLY 54 H GLY 54 -5.430 -13.307 -0.437 421 HA2 GLY 54 2HA GLY 54 -5.317 -13.059 1.930 422 HA3 GLY 54 1HA GLY 54 -5.116 -14.822 2.020 423 H GLY 55 H GLY 55 -3.255 -12.772 0.019 424 HA2 GLY 55 2HA GLY 55 -0.774 -13.877 0.812 425 HA3 GLY 55 1HA GLY 55 -1.024 -12.519 -0.279 426 H ARG 56 H ARG 56 1.222 -12.378 1.168 427 HA ARG 56 HA ARG 56 0.554 -10.188 3.062 428 HB2 ARG 56 2HB ARG 56 2.276 -12.575 3.766 429 HB3 ARG 56 1HB ARG 56 2.118 -11.120 4.751 430 HG2 ARG 56 2HG ARG 56 -0.338 -11.509 4.880 431 HG3 ARG 56 1HG ARG 56 -0.123 -13.012 3.984 432 HD2 ARG 56 2HD ARG 56 1.455 -13.787 5.773 433 HD3 ARG 56 1HD ARG 56 1.049 -12.340 6.696 434 HE ARG 56 HE ARG 56 -1.371 -13.679 6.001 435 HH11 ARG 56 1HH1 ARG 56 -2.393 -14.939 7.578 436 HH12 ARG 56 2HH1 ARG 56 -1.483 -15.502 8.940 437 HH21 ARG 56 1HH2 ARG 56 1.477 -14.013 7.915 438 HH22 ARG 56 2HH2 ARG 56 0.708 -14.978 9.131 439 H TYR 57 H TYR 57 2.068 -8.611 3.206 440 HA TYR 57 HA TYR 57 4.575 -8.891 1.606 441 HB2 TYR 57 2HB TYR 57 2.888 -6.415 2.018 442 HB3 TYR 57 1HB TYR 57 4.371 -6.495 1.079 443 HD1 TYR 57 1HD TYR 57 3.960 -9.094 -0.422 444 HD2 TYR 57 2HD TYR 57 1.232 -5.886 0.456 445 HE1 TYR 57 1HE TYR 57 2.620 -9.691 -2.401 446 HE2 TYR 57 2HE TYR 57 -0.104 -6.491 -1.540 447 HH TYR 57 HH TYR 57 0.300 -7.669 -3.732 448 H TYR 58 H TYR 58 6.460 -8.043 2.593 449 HA TYR 58 HA TYR 58 6.088 -6.967 5.360 450 HB2 TYR 58 2HB TYR 58 8.201 -8.975 4.555 451 HB3 TYR 58 1HB TYR 58 7.821 -8.411 6.182 452 HD1 TYR 58 1HD TYR 58 6.332 -9.638 7.499 453 HD2 TYR 58 2HD TYR 58 6.190 -10.050 3.227 454 HE1 TYR 58 1HE TYR 58 4.609 -11.407 7.719 455 HE2 TYR 58 2HE TYR 58 4.462 -11.794 3.444 456 HH TYR 58 HH TYR 58 3.887 -13.473 6.119 457 H GLU 59 H GLU 59 7.676 -5.561 6.102 458 HA GLU 59 HA GLU 59 9.809 -4.723 4.188 459 HB2 GLU 59 2HB GLU 59 7.699 -3.050 5.486 460 HB3 GLU 59 1HB GLU 59 9.312 -2.362 5.288 461 HG2 GLU 59 2HG GLU 59 9.253 -2.880 2.882 462 HG3 GLU 59 1HG GLU 59 7.651 -3.588 3.063 463 H TRP 60 H TRP 60 11.744 -4.155 5.185 464 HA TRP 60 HA TRP 60 11.919 -4.876 8.075 465 HB2 TRP 60 2HB TRP 60 13.623 -5.223 5.717 466 HB3 TRP 60 1HB TRP 60 14.498 -4.546 7.089 467 HD1 TRP 60 HD TRP 60 13.919 -5.970 9.511 468 HE1 TRP 60 1HE TRP 60 13.977 -8.540 9.782 469 HE3 TRP 60 3HE TRP 60 13.411 -7.402 4.634 470 HZ2 TRP 60 2HZ TRP 60 13.793 -10.890 8.131 471 HZ3 TRP 60 3HZ TRP 60 13.352 -9.792 4.011 472 HH2 TRP 60 HH TRP 60 13.547 -11.537 5.752 473 H ASP 61 H ASP 61 12.339 -3.231 9.529 474 HA ASP 61 HA ASP 61 13.208 -0.608 8.332 475 HB2 ASP 61 2HB ASP 61 11.260 -1.303 10.354 476 HB3 ASP 61 1HB ASP 61 12.480 -0.218 11.030 477 H ILE 62 H ILE 62 15.077 0.372 9.120 478 HA ILE 62 HA ILE 62 17.215 -1.198 10.006 479 HB ILE 62 HB ILE 62 17.355 1.537 11.035 480 HG12 ILE 62 2HG1 ILE 62 17.361 2.443 8.630 481 HG13 ILE 62 1HG1 ILE 62 16.462 0.987 8.229 482 HG21 ILE 62 1HG2 ILE 62 19.314 0.136 10.550 483 HG22 ILE 62 2HG2 ILE 62 19.315 1.571 9.524 484 HG23 ILE 62 3HG2 ILE 62 18.811 0.015 8.864 485 HD11 ILE 62 1HD1 ILE 62 15.108 1.886 10.447 486 HD12 ILE 62 2HD1 ILE 62 14.621 2.206 8.782 487 HD13 ILE 62 3HD1 ILE 62 15.576 3.395 9.666 488 H ASP 63 H ASP 63 15.034 0.793 11.986 489 HA ASP 63 HA ASP 63 16.176 -0.518 14.410 490 HB2 ASP 63 2HB ASP 63 14.391 1.916 14.091 491 HB3 ASP 63 1HB ASP 63 14.888 1.245 15.644 492 H GLY 64 H GLY 64 13.768 -0.840 12.180 493 HA2 GLY 64 2HA GLY 64 11.886 -2.025 14.155 494 HA3 GLY 64 1HA GLY 64 11.392 -1.415 12.584 495 H THR 65 H THR 65 11.713 -4.107 14.179 496 HA THR 65 HA THR 65 13.214 -5.923 12.604 497 HB THR 65 HB THR 65 10.671 -6.852 13.822 498 HG1 THR 65 1HG THR 65 11.509 -6.508 15.900 499 HG21 THR 65 1HG2 THR 65 12.829 -8.143 12.961 500 HG22 THR 65 2HG2 THR 65 11.936 -8.709 14.372 501 HG23 THR 65 3HG2 THR 65 13.411 -7.767 14.582 502 H GLU 66 H GLU 66 11.776 -7.851 11.543 503 HA GLU 66 HA GLU 66 10.581 -6.675 9.155 504 HB2 GLU 66 2HB GLU 66 11.866 -8.940 9.390 505 HB3 GLU 66 1HB GLU 66 10.338 -9.566 9.957 506 HG2 GLU 66 2HG GLU 66 9.253 -8.743 7.900 507 HG3 GLU 66 1HG GLU 66 10.827 -8.219 7.303 508 H ILE 67 H ILE 67 8.369 -6.455 8.765 509 HA ILE 67 HA ILE 67 6.468 -7.887 10.512 510 HB ILE 67 HB ILE 67 6.982 -5.756 11.714 511 HG12 ILE 67 2HG1 ILE 67 4.187 -5.628 10.604 512 HG13 ILE 67 1HG1 ILE 67 4.687 -6.977 11.624 513 HG21 ILE 67 1HG2 ILE 67 7.115 -4.625 9.257 514 HG22 ILE 67 2HG2 ILE 67 6.797 -3.698 10.724 515 HG23 ILE 67 3HG2 ILE 67 5.458 -4.205 9.692 516 HD11 ILE 67 1HD1 ILE 67 5.288 -5.444 13.421 517 HD12 ILE 67 2HD1 ILE 67 3.624 -5.130 12.927 518 HD13 ILE 67 3HD1 ILE 67 4.920 -4.055 12.398 519 H VAL 68 H VAL 68 4.255 -7.761 9.707 520 HA VAL 68 HA VAL 68 4.198 -7.296 6.767 521 HB VAL 68 HB VAL 68 3.397 -9.491 7.917 522 HG11 VAL 68 1HG1 VAL 68 1.229 -9.489 8.890 523 HG12 VAL 68 2HG1 VAL 68 0.896 -7.850 8.329 524 HG13 VAL 68 3HG1 VAL 68 2.061 -8.118 9.626 525 HG21 VAL 68 1HG2 VAL 68 1.765 -7.891 5.935 526 HG22 VAL 68 2HG2 VAL 68 1.386 -9.568 6.329 527 HG23 VAL 68 3HG2 VAL 68 2.938 -9.164 5.596 528 H TRP 69 H TRP 69 3.119 -5.520 5.997 529 HA TRP 69 HA TRP 69 1.492 -3.985 7.986 530 HB2 TRP 69 2HB TRP 69 1.862 -2.119 6.184 531 HB3 TRP 69 1HB TRP 69 3.155 -2.517 7.313 532 HD1 TRP 69 HD TRP 69 5.385 -3.215 6.309 533 HE1 TRP 69 1HE TRP 69 6.218 -3.796 3.944 534 HE3 TRP 69 3HE TRP 69 0.941 -3.330 3.801 535 HZ2 TRP 69 2HZ TRP 69 5.148 -4.242 1.328 536 HZ3 TRP 69 3HZ TRP 69 0.877 -3.840 1.385 537 HH2 TRP 69 HH TRP 69 2.966 -4.290 0.141 538 H GLY 70 H GLY 70 0.957 -6.104 5.527 539 HA2 GLY 70 2HA GLY 70 -1.738 -5.034 5.144 540 HA3 GLY 70 1HA GLY 70 -0.752 -5.009 3.688 541 H ARG 71 H ARG 71 -2.682 -6.457 3.126 542 HA ARG 71 HA ARG 71 -1.768 -9.239 3.219 543 HB2 ARG 71 2HB ARG 71 -3.696 -8.495 5.071 544 HB3 ARG 71 1HB ARG 71 -4.662 -9.087 3.724 545 HG2 ARG 71 2HG ARG 71 -3.289 -11.158 3.679 546 HG3 ARG 71 1HG ARG 71 -2.442 -10.593 5.118 547 HD2 ARG 71 2HD ARG 71 -4.206 -12.084 5.836 548 HD3 ARG 71 1HD ARG 71 -4.687 -10.444 6.268 549 HE ARG 71 HE ARG 71 -5.752 -10.936 3.706 550 HH11 ARG 71 1HH1 ARG 71 -7.897 -11.613 3.486 551 HH12 ARG 71 2HH1 ARG 71 -8.690 -12.381 4.821 552 HH21 ARG 71 1HH2 ARG 71 -5.937 -12.174 6.920 553 HH22 ARG 71 2HH2 ARG 71 -7.580 -12.699 6.764 554 H ILE 72 H ILE 72 -3.629 -10.465 1.823 555 HA ILE 72 HA ILE 72 -4.438 -8.667 -0.389 556 HB ILE 72 HB ILE 72 -2.881 -11.236 -0.596 557 HG12 ILE 72 2HG1 ILE 72 -1.685 -9.751 -2.338 558 HG13 ILE 72 1HG1 ILE 72 -2.574 -8.410 -1.617 559 HG21 ILE 72 1HG2 ILE 72 -4.734 -11.575 -2.092 560 HG22 ILE 72 2HG2 ILE 72 -3.344 -11.102 -3.067 561 HG23 ILE 72 3HG2 ILE 72 -4.604 -9.925 -2.702 562 HD11 ILE 72 1HD1 ILE 72 -1.009 -8.289 -0.006 563 HD12 ILE 72 2HD1 ILE 72 -0.186 -9.705 -0.659 564 HD13 ILE 72 3HD1 ILE 72 -1.468 -9.900 0.532 565 H LEU 73 H LEU 73 -6.185 -9.808 -1.784 566 HA LEU 73 HA LEU 73 -7.861 -11.519 0.008 567 HB2 LEU 73 2HB LEU 73 -8.548 -9.367 -1.969 568 HB3 LEU 73 1HB LEU 73 -9.727 -10.616 -1.581 569 HG LEU 73 HG LEU 73 -8.306 -9.240 0.664 570 HD11 LEU 73 1HD1 LEU 73 -9.101 -7.445 -0.886 571 HD12 LEU 73 2HD1 LEU 73 -9.919 -7.424 0.674 572 HD13 LEU 73 3HD1 LEU 73 -10.733 -8.093 -0.742 573 HD21 LEU 73 1HD2 LEU 73 -9.772 -11.070 1.241 574 HD22 LEU 73 2HD2 LEU 73 -11.063 -10.430 0.223 575 HD23 LEU 73 3HD2 LEU 73 -10.600 -9.582 1.695 576 H GLU 74 H GLU 74 -7.211 -10.861 -3.423 577 HA GLU 74 HA GLU 74 -6.769 -13.588 -4.142 578 HB2 GLU 74 2HB GLU 74 -9.244 -13.699 -3.633 579 HB3 GLU 74 1HB GLU 74 -9.505 -12.529 -4.925 580 HG2 GLU 74 2HG GLU 74 -8.435 -14.091 -6.530 581 HG3 GLU 74 1HG GLU 74 -8.240 -15.269 -5.233 582 H TRP 75 H TRP 75 -6.460 -13.771 -6.511 583 HA TRP 75 HA TRP 75 -5.878 -11.111 -7.708 584 HB2 TRP 75 2HB TRP 75 -4.373 -12.331 -9.206 585 HB3 TRP 75 1HB TRP 75 -4.022 -12.767 -7.531 586 HD1 TRP 75 HD TRP 75 -5.243 -15.097 -6.654 587 HE1 TRP 75 1HE TRP 75 -5.622 -17.295 -7.947 588 HE3 TRP 75 3HE TRP 75 -4.749 -13.402 -11.447 589 HZ2 TRP 75 2HZ TRP 75 -5.703 -18.214 -10.655 590 HZ3 TRP 75 3HZ TRP 75 -4.980 -14.959 -13.361 591 HH2 TRP 75 HH TRP 75 -5.456 -17.360 -12.972 592 H ASP 76 H ASP 76 -7.092 -10.405 -9.440 593 HA ASP 76 HA ASP 76 -9.177 -12.221 -10.454 594 HB2 ASP 76 2HB ASP 76 -9.307 -9.603 -9.840 595 HB3 ASP 76 1HB ASP 76 -8.923 -9.487 -11.555 596 HA PRO 77 HA PRO 77 -6.741 -13.613 -13.905 597 HB2 PRO 77 2HB PRO 77 -9.033 -13.436 -15.696 598 HB3 PRO 77 1HB PRO 77 -8.162 -14.857 -15.114 599 HG2 PRO 77 2HG PRO 77 -10.679 -13.860 -14.236 600 HG3 PRO 77 1HG PRO 77 -9.808 -15.294 -13.687 601 HD2 PRO 77 2HD PRO 77 -10.269 -12.946 -12.205 602 HD3 PRO 77 1HD PRO 77 -9.160 -14.261 -11.765 603 HA PRO 78 HA PRO 78 -7.582 -9.929 -16.946 604 HB2 PRO 78 2HB PRO 78 -8.915 -8.006 -15.102 605 HB3 PRO 78 1HB PRO 78 -9.270 -8.360 -16.803 606 HG2 PRO 78 2HG PRO 78 -10.880 -9.170 -14.841 607 HG3 PRO 78 1HG PRO 78 -10.603 -10.157 -16.288 608 HD2 PRO 78 2HD PRO 78 -9.471 -10.490 -13.534 609 HD3 PRO 78 1HD PRO 78 -9.996 -11.730 -14.688 610 H HIS 79 H HIS 79 -7.403 -7.166 -15.409 611 HA HIS 79 HA HIS 79 -4.724 -7.687 -14.218 612 HB2 HIS 79 2HB HIS 79 -4.603 -5.093 -14.922 613 HB3 HIS 79 1HB HIS 79 -4.169 -6.381 -16.044 614 HD1 HIS 79 1HD HIS 79 -7.610 -5.120 -14.961 615 HD2 HIS 79 2HD HIS 79 -5.401 -5.756 -18.441 616 HE1 HIS 79 1HE HIS 79 -9.164 -4.616 -16.894 617 HE2 HIS 79 2HE HIS 79 -7.832 -5.004 -19.020 618 H ARG 80 H ARG 80 -6.830 -8.116 -12.637 619 HA ARG 80 HA ARG 80 -6.998 -5.592 -11.036 620 HB2 ARG 80 2HB ARG 80 -9.112 -5.575 -12.034 621 HB3 ARG 80 1HB ARG 80 -9.248 -7.330 -12.015 622 HG2 ARG 80 2HG ARG 80 -9.599 -7.346 -9.624 623 HG3 ARG 80 1HG ARG 80 -9.216 -5.625 -9.508 624 HD2 ARG 80 2HD ARG 80 -11.596 -5.753 -9.475 625 HD3 ARG 80 1HD ARG 80 -11.179 -5.244 -11.110 626 HE ARG 80 HE ARG 80 -11.314 -8.079 -11.100 627 HH11 ARG 80 1HH1 ARG 80 -13.183 -9.096 -11.860 628 HH12 ARG 80 2HH1 ARG 80 -14.672 -8.210 -11.916 629 HH21 ARG 80 1HH2 ARG 80 -13.291 -5.292 -10.653 630 HH22 ARG 80 2HH2 ARG 80 -14.732 -6.056 -11.234 631 H LEU 81 H LEU 81 -6.696 -5.853 -8.911 632 HA LEU 81 HA LEU 81 -6.876 -8.596 -7.772 633 HB2 LEU 81 2HB LEU 81 -4.601 -6.657 -7.309 634 HB3 LEU 81 1HB LEU 81 -4.772 -8.243 -6.565 635 HG LEU 81 HG LEU 81 -5.025 -8.844 -9.226 636 HD11 LEU 81 1HD1 LEU 81 -3.220 -7.649 -10.384 637 HD12 LEU 81 2HD1 LEU 81 -2.932 -6.678 -8.939 638 HD13 LEU 81 3HD1 LEU 81 -4.448 -6.514 -9.821 639 HD21 LEU 81 1HD2 LEU 81 -2.752 -9.743 -9.014 640 HD22 LEU 81 2HD2 LEU 81 -3.632 -9.989 -7.504 641 HD23 LEU 81 3HD2 LEU 81 -2.446 -8.689 -7.633 642 H ALA 82 H ALA 82 -7.863 -8.615 -5.807 643 HA ALA 82 HA ALA 82 -8.452 -5.975 -4.529 644 HB1 ALA 82 1HB ALA 82 -9.768 -8.593 -3.791 645 HB2 ALA 82 2HB ALA 82 -10.330 -7.684 -5.193 646 HB3 ALA 82 3HB ALA 82 -10.390 -6.955 -3.587 647 H MET 83 H MET 83 -7.861 -5.788 -2.225 648 HA MET 83 HA MET 83 -6.398 -8.132 -1.180 649 HB2 MET 83 2HB MET 83 -4.573 -6.354 -0.482 650 HB3 MET 83 1HB MET 83 -4.531 -7.122 -2.069 651 HG2 MET 83 2HG MET 83 -6.012 -4.533 -1.588 652 HG3 MET 83 1HG MET 83 -4.305 -4.563 -2.024 653 HE1 MET 83 1HE MET 83 -3.877 -5.718 -5.345 654 HE2 MET 83 2HE MET 83 -4.289 -7.163 -4.425 655 HE3 MET 83 3HE MET 83 -3.367 -5.872 -3.658 656 H THR 84 H THR 84 -6.170 -8.268 1.052 657 HA THR 84 HA THR 84 -7.772 -6.250 2.584 658 HB THR 84 HB THR 84 -6.907 -9.076 3.301 659 HG1 THR 84 1HG THR 84 -8.834 -9.595 2.679 660 HG21 THR 84 1HG2 THR 84 -7.797 -6.810 4.938 661 HG22 THR 84 2HG2 THR 84 -7.027 -8.319 5.428 662 HG23 THR 84 3HG2 THR 84 -8.770 -8.264 5.165 663 H TRP 85 H TRP 85 -6.710 -5.192 4.370 664 HA TRP 85 HA TRP 85 -3.747 -5.404 4.210 665 HB2 TRP 85 2HB TRP 85 -5.645 -3.239 5.047 666 HB3 TRP 85 1HB TRP 85 -3.984 -3.216 5.642 667 HD1 TRP 85 HD TRP 85 -4.518 -4.655 2.198 668 HE1 TRP 85 1HE TRP 85 -3.586 -3.028 0.433 669 HE3 TRP 85 3HE TRP 85 -3.610 -0.587 5.146 670 HZ2 TRP 85 2HZ TRP 85 -2.589 -0.351 0.289 671 HZ3 TRP 85 3HZ TRP 85 -2.670 1.487 4.170 672 HH2 TRP 85 HH TRP 85 -2.158 1.610 1.746 673 H ARG 86 H ARG 86 -2.626 -6.360 5.850 674 HA ARG 86 HA ARG 86 -4.012 -6.636 8.496 675 HB2 ARG 86 2HB ARG 86 -3.564 -8.790 7.322 676 HB3 ARG 86 1HB ARG 86 -1.844 -8.405 7.324 677 HG2 ARG 86 2HG ARG 86 -1.901 -8.281 9.805 678 HG3 ARG 86 1HG ARG 86 -3.605 -8.738 9.772 679 HD2 ARG 86 2HD ARG 86 -2.972 -10.840 8.575 680 HD3 ARG 86 1HD ARG 86 -1.276 -10.397 8.765 681 HE ARG 86 HE ARG 86 -2.378 -10.308 11.344 682 HH11 ARG 86 1HH1 ARG 86 -2.231 -12.095 12.723 683 HH12 ARG 86 2HH1 ARG 86 -2.001 -13.674 12.051 684 HH21 ARG 86 1HH2 ARG 86 -1.966 -12.561 8.767 685 HH22 ARG 86 2HH2 ARG 86 -1.851 -13.939 9.811 686 H ILE 87 H ILE 87 -3.181 -4.846 9.588 687 HA ILE 87 HA ILE 87 -0.224 -4.846 9.973 688 HB ILE 87 HB ILE 87 -0.875 -3.057 8.333 689 HG12 ILE 87 2HG1 ILE 87 -0.011 -1.806 10.941 690 HG13 ILE 87 1HG1 ILE 87 1.037 -2.940 10.090 691 HG21 ILE 87 1HG2 ILE 87 -2.207 -1.723 10.693 692 HG22 ILE 87 2HG2 ILE 87 -3.124 -2.693 9.539 693 HG23 ILE 87 3HG2 ILE 87 -2.268 -1.249 8.995 694 HD11 ILE 87 1HD1 ILE 87 1.363 -1.512 8.302 695 HD12 ILE 87 2HD1 ILE 87 1.173 -0.335 9.597 696 HD13 ILE 87 3HD1 ILE 87 -0.183 -0.699 8.530 697 H ASP 88 H ASP 88 0.439 -4.066 12.045 698 HA ASP 88 HA ASP 88 -1.633 -4.343 14.113 699 HB2 ASP 88 2HB ASP 88 1.321 -3.774 14.377 700 HB3 ASP 88 1HB ASP 88 0.235 -4.190 15.696 701 H GLY 89 H GLY 89 -1.882 -2.680 15.795 702 HA2 GLY 89 2HA GLY 89 -2.324 -0.076 14.708 703 HA3 GLY 89 1HA GLY 89 -2.349 -0.468 16.429 704 H HIS 90 H HIS 90 0.292 -1.334 16.780 705 HA HIS 90 HA HIS 90 1.787 1.209 16.288 706 HB2 HIS 90 2HB HIS 90 1.387 -0.419 18.644 707 HB3 HIS 90 1HB HIS 90 3.106 -0.312 18.276 708 HD1 HIS 90 1HD HIS 90 0.708 1.420 20.182 709 HD2 HIS 90 2HD HIS 90 3.656 2.670 17.509 710 HE1 HIS 90 1HE HIS 90 1.152 3.864 20.694 711 HE2 HIS 90 2HE HIS 90 2.944 4.634 19.072 712 H TRP 91 H TRP 91 1.612 -1.064 14.405 713 HA TRP 91 HA TRP 91 3.047 -2.344 13.064 714 HB2 TRP 91 2HB TRP 91 5.125 -0.517 14.315 715 HB3 TRP 91 1HB TRP 91 5.413 -1.581 12.945 716 HD1 TRP 91 HD TRP 91 3.750 -1.108 10.753 717 HE1 TRP 91 1HE TRP 91 3.019 1.173 9.797 718 HE3 TRP 91 3HE TRP 91 4.568 1.867 14.806 719 HZ2 TRP 91 2HZ TRP 91 2.823 3.902 10.652 720 HZ3 TRP 91 3HZ TRP 91 4.115 4.292 14.719 721 HH2 TRP 91 HH TRP 91 3.240 5.317 12.643 722 H GLN 92 H GLN 92 2.485 -3.099 15.922 723 HA GLN 92 HA GLN 92 3.992 -5.472 16.078 724 HB2 GLN 92 2HB GLN 92 5.296 -4.717 18.255 725 HB3 GLN 92 1HB GLN 92 6.012 -4.503 16.658 726 HG2 GLN 92 2HG GLN 92 5.611 -2.223 16.633 727 HG3 GLN 92 1HG GLN 92 4.283 -2.330 17.793 728 HE21 GLN 92 1HE2 GLN 92 6.312 -0.445 18.273 729 HE22 GLN 92 2HE2 GLN 92 7.266 -0.950 19.583 730 H SER 93 H SER 93 1.482 -3.715 16.835 731 HA SER 93 HA SER 93 0.965 -4.048 19.600 732 HB2 SER 93 2HB SER 93 -0.383 -2.759 17.812 733 HB3 SER 93 1HB SER 93 -1.167 -4.303 17.484 734 HG SER 93 HG SER 93 -2.204 -4.154 19.315 735 H VAL 94 H VAL 94 -0.470 -6.086 17.011 736 HA VAL 94 HA VAL 94 0.057 -8.470 18.691 737 HB VAL 94 HB VAL 94 -2.434 -9.118 18.175 738 HG11 VAL 94 1HG1 VAL 94 -3.126 -8.052 20.299 739 HG12 VAL 94 2HG1 VAL 94 -1.704 -7.010 20.232 740 HG13 VAL 94 3HG1 VAL 94 -1.513 -8.752 20.432 741 HG21 VAL 94 1HG2 VAL 94 -2.685 -7.021 16.728 742 HG22 VAL 94 2HG2 VAL 94 -2.673 -6.102 18.232 743 HG23 VAL 94 3HG2 VAL 94 -3.948 -7.283 17.931 744 HA PRO 95 HA PRO 95 0.813 -10.395 14.787 745 HB2 PRO 95 2HB PRO 95 -0.200 -12.934 15.270 746 HB3 PRO 95 1HB PRO 95 1.402 -12.368 15.778 747 HG2 PRO 95 2HG PRO 95 -1.104 -12.619 17.348 748 HG3 PRO 95 1HG PRO 95 0.575 -12.891 17.842 749 HD2 PRO 95 2HD PRO 95 -0.795 -10.644 18.531 750 HD3 PRO 95 1HD PRO 95 0.961 -10.644 18.262 751 H ASP 96 H ASP 96 -2.449 -10.640 16.112 752 HA ASP 96 HA ASP 96 -3.505 -11.025 13.342 753 HB2 ASP 96 2HB ASP 96 -4.782 -11.522 16.037 754 HB3 ASP 96 1HB ASP 96 -5.625 -11.688 14.496 755 H ASP 97 H ASP 97 -5.091 -9.563 12.563 756 HA ASP 97 HA ASP 97 -5.236 -7.010 14.086 757 HB2 ASP 97 2HB ASP 97 -5.678 -7.625 11.155 758 HB3 ASP 97 1HB ASP 97 -5.849 -6.032 11.890 759 H ASP 98 H ASP 98 -7.119 -6.697 15.151 760 HA ASP 98 HA ASP 98 -9.550 -8.129 14.297 761 HB2 ASP 98 2HB ASP 98 -8.921 -6.385 16.683 762 HB3 ASP 98 1HB ASP 98 -10.500 -7.106 16.392 763 H ARG 99 H ARG 99 -8.019 -5.203 13.720 764 HA ARG 99 HA ARG 99 -10.588 -3.857 13.024 765 HB2 ARG 99 2HB ARG 99 -8.765 -1.833 13.020 766 HB3 ARG 99 1HB ARG 99 -9.708 -2.292 14.440 767 HG2 ARG 99 2HG ARG 99 -7.909 -3.740 15.220 768 HG3 ARG 99 1HG ARG 99 -6.976 -3.417 13.759 769 HD2 ARG 99 2HD ARG 99 -6.095 -1.988 15.480 770 HD3 ARG 99 1HD ARG 99 -7.029 -0.964 14.391 771 HE ARG 99 HE ARG 99 -8.728 -1.871 16.507 772 HH11 ARG 99 1HH1 ARG 99 -9.213 -0.421 18.172 773 HH12 ARG 99 2HH1 ARG 99 -8.196 0.958 18.424 774 HH21 ARG 99 1HH2 ARG 99 -6.040 0.177 15.823 775 HH22 ARG 99 2HH2 ARG 99 -6.400 1.297 17.096 776 H ALA 100 H ALA 100 -9.261 -5.781 11.313 777 HA ALA 100 HA ALA 100 -7.817 -4.213 9.290 778 HB1 ALA 100 1HB ALA 100 -7.080 -6.219 8.535 779 HB2 ALA 100 2HB ALA 100 -8.698 -6.917 8.546 780 HB3 ALA 100 3HB ALA 100 -7.751 -6.862 10.033 781 H SER 101 H SER 101 -8.576 -3.830 7.175 782 HA SER 101 HA SER 101 -11.521 -4.180 6.771 783 HB2 SER 101 2HB SER 101 -11.591 -2.009 5.693 784 HB3 SER 101 1HB SER 101 -10.838 -1.811 7.273 785 HG SER 101 HG SER 101 -9.849 -1.172 4.925 786 H GLU 102 H GLU 102 -12.044 -3.938 4.311 787 HA GLU 102 HA GLU 102 -9.977 -5.492 2.817 788 HB2 GLU 102 2HB GLU 102 -12.962 -5.256 2.344 789 HB3 GLU 102 1HB GLU 102 -11.852 -6.233 1.385 790 HG2 GLU 102 2HG GLU 102 -12.704 -7.795 2.914 791 HG3 GLU 102 1HG GLU 102 -11.190 -7.300 3.671 792 H ILE 103 H ILE 103 -9.222 -4.746 0.865 793 HA ILE 103 HA ILE 103 -10.277 -2.106 -0.076 794 HB ILE 103 HB ILE 103 -7.422 -3.117 -0.187 795 HG12 ILE 103 2HG1 ILE 103 -8.637 -0.919 1.517 796 HG13 ILE 103 1HG1 ILE 103 -8.246 -2.534 2.110 797 HG21 ILE 103 1HG2 ILE 103 -8.868 -0.918 -1.467 798 HG22 ILE 103 2HG2 ILE 103 -7.269 -1.567 -1.828 799 HG23 ILE 103 3HG2 ILE 103 -7.465 -0.365 -0.554 800 HD11 ILE 103 1HD1 ILE 103 -6.225 -1.614 2.611 801 HD12 ILE 103 2HD1 ILE 103 -6.454 -0.270 1.493 802 HD13 ILE 103 3HD1 ILE 103 -5.896 -1.831 0.892 803 H GLU 104 H GLU 104 -10.667 -1.938 -2.274 804 HA GLU 104 HA GLU 104 -10.100 -4.385 -3.909 805 HB2 GLU 104 2HB GLU 104 -12.275 -2.295 -4.249 806 HB3 GLU 104 1HB GLU 104 -12.025 -3.691 -5.299 807 HG2 GLU 104 2HG GLU 104 -12.361 -5.193 -3.346 808 HG3 GLU 104 1HG GLU 104 -12.688 -3.780 -2.341 809 H VAL 105 H VAL 105 -8.728 -4.103 -5.622 810 HA VAL 105 HA VAL 105 -8.320 -1.333 -6.641 811 HB VAL 105 HB VAL 105 -6.104 -3.346 -6.198 812 HG11 VAL 105 1HG1 VAL 105 -6.082 -0.392 -6.890 813 HG12 VAL 105 2HG1 VAL 105 -5.733 -1.706 -8.012 814 HG13 VAL 105 3HG1 VAL 105 -4.656 -1.401 -6.648 815 HG21 VAL 105 1HG2 VAL 105 -5.566 -1.302 -4.495 816 HG22 VAL 105 2HG2 VAL 105 -6.437 -2.755 -4.010 817 HG23 VAL 105 3HG2 VAL 105 -7.329 -1.294 -4.435 818 H ASP 106 H ASP 106 -8.312 -1.201 -8.856 819 HA ASP 106 HA ASP 106 -8.207 -3.783 -10.371 820 HB2 ASP 106 2HB ASP 106 -9.716 -1.240 -11.052 821 HB3 ASP 106 1HB ASP 106 -9.677 -2.705 -12.039 822 H PHE 107 H PHE 107 -6.624 -3.904 -11.939 823 HA PHE 107 HA PHE 107 -5.191 -1.373 -12.594 824 HB2 PHE 107 2HB PHE 107 -4.122 -4.213 -12.622 825 HB3 PHE 107 1HB PHE 107 -3.227 -2.769 -13.044 826 HD1 PHE 107 1HD PHE 107 -5.152 -4.324 -10.249 827 HD2 PHE 107 2HD PHE 107 -2.109 -1.526 -11.404 828 HE1 PHE 107 1HE PHE 107 -4.538 -4.009 -7.865 829 HE2 PHE 107 2HE PHE 107 -1.500 -1.201 -9.021 830 HZ PHE 107 HZ PHE 107 -2.710 -2.448 -7.250 831 H VAL 108 H VAL 108 -4.896 -0.859 -14.718 832 HA VAL 108 HA VAL 108 -5.832 -2.774 -16.796 833 HB VAL 108 HB VAL 108 -6.407 0.136 -17.116 834 HG11 VAL 108 1HG1 VAL 108 -8.122 -0.652 -18.550 835 HG12 VAL 108 2HG1 VAL 108 -8.095 -2.261 -17.830 836 HG13 VAL 108 3HG1 VAL 108 -6.760 -1.729 -18.854 837 HG21 VAL 108 1HG2 VAL 108 -8.688 -0.393 -16.045 838 HG22 VAL 108 2HG2 VAL 108 -7.330 -0.159 -14.943 839 HG23 VAL 108 3HG2 VAL 108 -7.890 -1.788 -15.320 840 HA PRO 109 HA PRO 109 -1.831 -1.198 -18.236 841 HB2 PRO 109 2HB PRO 109 -1.382 -2.990 -20.201 842 HB3 PRO 109 1HB PRO 109 -1.230 -3.418 -18.486 843 HG2 PRO 109 2HG PRO 109 -3.438 -3.991 -20.387 844 HG3 PRO 109 1HG PRO 109 -2.758 -5.005 -19.105 845 HD2 PRO 109 2HD PRO 109 -5.103 -3.535 -18.863 846 HD3 PRO 109 1HD PRO 109 -4.116 -4.095 -17.493 847 H ASN 110 H ASN 110 -1.530 0.466 -19.592 848 HA ASN 110 HA ASN 110 -3.197 0.625 -22.054 849 HB2 ASN 110 2HB ASN 110 -3.659 2.379 -20.337 850 HB3 ASN 110 1HB ASN 110 -1.982 2.893 -20.477 851 HD21 ASN 110 1HD2 ASN 110 -3.746 4.857 -21.124 852 HD22 ASN 110 2HD2 ASN 110 -3.870 5.064 -22.804 853 H GLY 111 H GLY 111 -2.095 0.888 -23.987 854 HA2 GLY 111 2HA GLY 111 0.700 0.278 -24.077 855 HA3 GLY 111 1HA GLY 111 -0.251 0.865 -25.441 856 H SER 112 H SER 112 2.071 1.937 -25.615 857 HA SER 112 HA SER 112 3.256 3.962 -25.634 858 HB2 SER 112 2HB SER 112 0.598 4.653 -25.815 859 HB3 SER 112 1HB SER 112 1.118 5.556 -24.395 860 HG SER 112 HG SER 112 1.763 6.880 -25.938 861 H GLY 113 H GLY 113 2.576 2.286 -23.004 862 HA2 GLY 113 2HA GLY 113 3.607 2.329 -20.875 863 HA3 GLY 113 1HA GLY 113 4.340 3.878 -21.310 864 H GLY 114 H GLY 114 1.146 2.485 -20.495 865 HA2 GLY 114 2HA GLY 114 0.673 4.825 -18.744 866 HA3 GLY 114 1HA GLY 114 -0.515 4.506 -20.004 867 H THR 115 H THR 115 -0.544 4.281 -16.936 868 HA THR 115 HA THR 115 -1.761 1.560 -16.863 869 HB THR 115 HB THR 115 -0.736 2.308 -14.274 870 HG1 THR 115 1HG THR 115 0.959 2.617 -16.466 871 HG21 THR 115 1HG2 THR 115 -0.304 0.032 -16.204 872 HG22 THR 115 2HG2 THR 115 -1.139 0.031 -14.652 873 HG23 THR 115 3HG2 THR 115 0.617 0.145 -14.707 874 H ARG 116 H ARG 116 -3.868 1.774 -16.316 875 HA ARG 116 HA ARG 116 -4.668 4.180 -14.745 876 HB2 ARG 116 2HB ARG 116 -5.812 3.727 -16.941 877 HB3 ARG 116 1HB ARG 116 -6.455 2.243 -16.228 878 HG2 ARG 116 2HG ARG 116 -7.638 3.470 -14.536 879 HG3 ARG 116 1HG ARG 116 -6.826 4.974 -14.978 880 HD2 ARG 116 2HD ARG 116 -7.871 4.889 -17.194 881 HD3 ARG 116 1HD ARG 116 -8.698 3.396 -16.754 882 HE ARG 116 HE ARG 116 -9.213 5.668 -14.961 883 HH11 ARG 116 1HH1 ARG 116 -11.369 6.340 -14.896 884 HH12 ARG 116 2HH1 ARG 116 -12.481 5.751 -16.087 885 HH21 ARG 116 1HH2 ARG 116 -10.116 3.819 -17.727 886 HH22 ARG 116 2HH2 ARG 116 -11.771 4.326 -17.690 887 H VAL 117 H VAL 117 -4.870 3.772 -12.592 888 HA VAL 117 HA VAL 117 -5.751 1.032 -11.770 889 HB VAL 117 HB VAL 117 -3.880 2.902 -10.297 890 HG11 VAL 117 1HG1 VAL 117 -3.574 0.934 -8.807 891 HG12 VAL 117 2HG1 VAL 117 -4.815 0.073 -9.716 892 HG13 VAL 117 3HG1 VAL 117 -5.239 1.516 -8.793 893 HG21 VAL 117 1HG2 VAL 117 -2.471 0.634 -10.814 894 HG22 VAL 117 2HG2 VAL 117 -2.431 2.056 -11.855 895 HG23 VAL 117 3HG2 VAL 117 -3.491 0.703 -12.250 896 H GLU 118 H GLU 118 -7.367 0.891 -10.291 897 HA GLU 118 HA GLU 118 -8.457 3.470 -9.224 898 HB2 GLU 118 2HB GLU 118 -9.965 0.931 -9.938 899 HB3 GLU 118 1HB GLU 118 -10.683 2.403 -9.281 900 HG2 GLU 118 2HG GLU 118 -9.869 3.659 -11.266 901 HG3 GLU 118 1HG GLU 118 -9.236 2.154 -11.934 902 H LEU 119 H LEU 119 -7.614 3.450 -7.155 903 HA LEU 119 HA LEU 119 -7.851 0.929 -5.589 904 HB2 LEU 119 2HB LEU 119 -5.603 2.068 -5.787 905 HB3 LEU 119 1HB LEU 119 -6.283 3.425 -4.899 906 HG LEU 119 HG LEU 119 -6.681 0.756 -3.660 907 HD11 LEU 119 1HD1 LEU 119 -3.968 2.115 -3.671 908 HD12 LEU 119 2HD1 LEU 119 -4.346 0.629 -4.543 909 HD13 LEU 119 3HD1 LEU 119 -4.405 0.657 -2.780 910 HD21 LEU 119 1HD2 LEU 119 -5.486 3.166 -2.336 911 HD22 LEU 119 2HD2 LEU 119 -6.628 1.990 -1.690 912 HD23 LEU 119 3HD2 LEU 119 -7.181 3.228 -2.813 913 H ALA 120 H ALA 120 -9.390 0.824 -4.024 914 HA ALA 120 HA ALA 120 -10.452 3.396 -2.932 915 HB1 ALA 120 1HB ALA 120 -12.333 1.109 -3.225 916 HB2 ALA 120 2HB ALA 120 -11.884 1.960 -4.703 917 HB3 ALA 120 3HB ALA 120 -12.635 2.840 -3.371 918 H HIS 121 H HIS 121 -9.952 3.370 -0.793 919 HA HIS 121 HA HIS 121 -9.916 0.754 0.634 920 HB2 HIS 121 2HB HIS 121 -8.348 1.648 2.053 921 HB3 HIS 121 1HB HIS 121 -8.076 2.752 0.707 922 HD1 HIS 121 1HD HIS 121 -8.583 2.872 4.202 923 HD2 HIS 121 2HD HIS 121 -10.128 5.079 1.018 924 HE1 HIS 121 1HE HIS 121 -9.435 5.052 5.185 925 HE2 HIS 121 2HE HIS 121 -10.382 6.396 3.256 926 H VAL 122 H VAL 122 -11.521 0.318 2.155 927 HA VAL 122 HA VAL 122 -13.304 2.595 2.888 928 HB VAL 122 HB VAL 122 -15.259 1.096 2.551 929 HG11 VAL 122 1HG1 VAL 122 -13.789 1.072 -0.049 930 HG12 VAL 122 2HG1 VAL 122 -14.031 2.631 0.741 931 HG13 VAL 122 3HG1 VAL 122 -15.422 1.633 0.313 932 HG21 VAL 122 1HG2 VAL 122 -13.221 -0.871 2.396 933 HG22 VAL 122 2HG2 VAL 122 -13.944 -0.782 0.788 934 HG23 VAL 122 3HG2 VAL 122 -14.957 -1.114 2.194 935 H LYS 123 H LYS 123 -14.492 2.365 4.778 936 HA LYS 123 HA LYS 123 -14.755 1.832 7.032 937 HB2 LYS 123 2HB LYS 123 -14.173 -1.020 6.274 938 HB3 LYS 123 1HB LYS 123 -15.350 -0.399 7.435 939 HG2 LYS 123 2HG LYS 123 -15.483 -0.199 4.414 940 HG3 LYS 123 1HG LYS 123 -16.567 -1.102 5.468 941 HD2 LYS 123 2HD LYS 123 -17.267 1.054 6.528 942 HD3 LYS 123 1HD LYS 123 -16.266 1.919 5.362 943 HE2 LYS 123 2HE LYS 123 -18.576 1.864 4.574 944 HE3 LYS 123 1HE LYS 123 -17.555 0.896 3.511 945 HZ1 LYS 123 1HZ LYS 123 -19.834 0.052 4.734 946 HZ2 LYS 123 2HZ LYS 123 -18.610 -0.607 5.711 947 HZ3 LYS 123 3HZ LYS 123 -18.651 -0.950 4.047 948 H LEU 124 H LEU 124 -12.032 2.452 6.092 949 HA LEU 124 HA LEU 124 -10.190 0.694 7.482 950 HB2 LEU 124 2HB LEU 124 -9.820 2.610 5.636 951 HB3 LEU 124 1HB LEU 124 -9.527 3.563 7.091 952 HG LEU 124 HG LEU 124 -7.927 1.778 7.852 953 HD11 LEU 124 1HD1 LEU 124 -9.012 0.495 5.498 954 HD12 LEU 124 2HD1 LEU 124 -7.950 -0.180 6.736 955 HD13 LEU 124 3HD1 LEU 124 -7.263 0.660 5.345 956 HD21 LEU 124 1HD2 LEU 124 -6.449 2.389 5.577 957 HD22 LEU 124 2HD2 LEU 124 -6.558 3.377 7.033 958 HD23 LEU 124 3HD2 LEU 124 -7.631 3.693 5.670 959 H HIS 125 H HIS 125 -11.993 3.623 8.223 960 HA HIS 125 HA HIS 125 -10.897 4.477 10.619 961 HB2 HIS 125 2HB HIS 125 -12.787 5.645 9.696 962 HB3 HIS 125 1HB HIS 125 -13.811 4.223 9.880 963 HD1 HIS 125 1HD HIS 125 -11.419 5.792 12.395 964 HD2 HIS 125 2HD HIS 125 -15.476 4.908 11.995 965 HE1 HIS 125 1HE HIS 125 -12.493 6.335 14.625 966 HE2 HIS 125 2HE HIS 125 -14.965 5.810 14.389 967 H ARG 126 H ARG 126 -12.144 1.395 9.987 968 HA ARG 126 HA ARG 126 -13.271 0.610 12.426 969 HB2 ARG 126 2HB ARG 126 -13.100 -0.897 10.477 970 HB3 ARG 126 1HB ARG 126 -11.355 -0.962 10.685 971 HG2 ARG 126 2HG ARG 126 -12.218 -2.957 11.686 972 HG3 ARG 126 1HG ARG 126 -11.784 -1.893 13.021 973 HD2 ARG 126 2HD ARG 126 -14.096 -1.223 13.311 974 HD3 ARG 126 1HD ARG 126 -14.579 -2.111 11.866 975 HE ARG 126 HE ARG 126 -13.340 -3.953 13.630 976 HH11 ARG 126 1HH1 ARG 126 -14.631 -5.270 14.938 977 HH12 ARG 126 2HH1 ARG 126 -16.261 -4.793 15.283 978 HH21 ARG 126 1HH2 ARG 126 -16.081 -1.873 13.421 979 HH22 ARG 126 2HH2 ARG 126 -17.082 -2.872 14.423 980 H HIS 127 H HIS 127 -9.911 1.189 11.577 981 HA HIS 127 HA HIS 127 -8.944 0.270 14.185 982 HB2 HIS 127 2HB HIS 127 -6.741 1.165 13.334 983 HB3 HIS 127 1HB HIS 127 -7.460 -0.085 12.323 984 HD1 HIS 127 1HD HIS 127 -9.365 2.917 11.809 985 HD2 HIS 127 2HD HIS 127 -5.731 1.487 10.356 986 HE1 HIS 127 1HE HIS 127 -8.859 4.229 9.701 987 HE2 HIS 127 2HE HIS 127 -6.642 3.383 8.826 988 H GLY 128 H GLY 128 -10.001 3.226 12.715 989 HA2 GLY 128 2HA GLY 128 -9.830 5.482 13.450 990 HA3 GLY 128 1HA GLY 128 -10.555 4.744 14.879 991 H ASP 129 H ASP 129 -9.475 6.222 16.269 992 HA ASP 129 HA ASP 129 -7.704 7.033 17.575 993 HB2 ASP 129 2HB ASP 129 -6.738 4.206 17.040 994 HB3 ASP 129 1HB ASP 129 -6.098 5.270 18.293 995 H GLY 130 H GLY 130 -4.893 5.907 17.187 996 HA2 GLY 130 2HA GLY 130 -4.009 7.913 15.290 997 HA3 GLY 130 1HA GLY 130 -2.976 6.724 16.094 998 H ALA 131 H ALA 131 -5.768 6.323 13.920 999 HA ALA 131 HA ALA 131 -4.687 4.078 12.560 1000 HB1 ALA 131 1HB ALA 131 -6.331 5.027 10.686 1001 HB2 ALA 131 2HB ALA 131 -6.873 6.041 12.023 1002 HB3 ALA 131 3HB ALA 131 -6.949 4.285 12.162 1003 H TRP 132 H TRP 132 -4.712 7.536 11.574 1004 HA TRP 132 HA TRP 132 -3.265 7.121 9.158 1005 HB2 TRP 132 2HB TRP 132 -4.430 9.262 9.793 1006 HB3 TRP 132 1HB TRP 132 -3.096 9.593 10.900 1007 HD1 TRP 132 HD TRP 132 -0.652 9.909 9.803 1008 HE1 TRP 132 1HE TRP 132 0.043 10.738 7.465 1009 HE3 TRP 132 3HE TRP 132 -5.093 9.369 7.301 1010 HZ2 TRP 132 2HZ TRP 132 -1.117 11.122 4.888 1011 HZ3 TRP 132 3HZ TRP 132 -5.255 9.980 4.909 1012 HH2 TRP 132 HH TRP 132 -3.278 10.855 3.699 1013 H ASN 133 H ASN 133 -2.203 7.377 12.508 1014 HA ASN 133 HA ASN 133 0.566 7.837 12.084 1015 HB2 ASN 133 2HB ASN 133 -0.729 7.579 14.319 1016 HB3 ASN 133 1HB ASN 133 -0.472 5.847 14.111 1017 HD21 ASN 133 1HD2 ASN 133 0.969 5.873 16.032 1018 HD22 ASN 133 2HD2 ASN 133 2.552 6.473 15.901 1019 H ILE 134 H ILE 134 -1.329 4.844 12.030 1020 HA ILE 134 HA ILE 134 0.789 3.032 11.481 1021 HB ILE 134 HB ILE 134 -2.078 2.954 10.498 1022 HG12 ILE 134 2HG1 ILE 134 -0.858 1.789 13.018 1023 HG13 ILE 134 1HG1 ILE 134 -1.849 3.249 12.970 1024 HG21 ILE 134 1HG2 ILE 134 -1.765 0.617 10.216 1025 HG22 ILE 134 2HG2 ILE 134 -0.236 0.645 11.093 1026 HG23 ILE 134 3HG2 ILE 134 -0.345 1.364 9.487 1027 HD11 ILE 134 1HD1 ILE 134 -3.403 1.563 13.508 1028 HD12 ILE 134 2HD1 ILE 134 -2.665 0.404 12.403 1029 HD13 ILE 134 3HD1 ILE 134 -3.602 1.756 11.766 1030 H HIS 135 H HIS 135 -1.312 5.002 9.430 1031 HA HIS 135 HA HIS 135 -0.250 4.207 6.893 1032 HB2 HIS 135 2HB HIS 135 -2.381 5.427 7.094 1033 HB3 HIS 135 1HB HIS 135 -1.528 6.828 7.732 1034 HD1 HIS 135 1HD HIS 135 0.662 5.527 5.301 1035 HD2 HIS 135 2HD HIS 135 -2.842 7.770 5.114 1036 HE1 HIS 135 1HE HIS 135 0.639 6.588 3.007 1037 HE2 HIS 135 2HE HIS 135 -1.509 7.949 2.866 1038 H LYS 136 H LYS 136 0.758 6.567 9.305 1039 HA LYS 136 HA LYS 136 2.543 8.110 7.778 1040 HB2 LYS 136 2HB LYS 136 1.982 8.443 10.226 1041 HB3 LYS 136 1HB LYS 136 3.098 7.135 10.582 1042 HG2 LYS 136 2HG LYS 136 4.904 8.370 9.471 1043 HG3 LYS 136 1HG LYS 136 3.793 9.695 9.147 1044 HD2 LYS 136 2HD LYS 136 3.397 9.886 11.617 1045 HD3 LYS 136 1HD LYS 136 4.657 8.677 11.866 1046 HE2 LYS 136 2HE LYS 136 6.353 10.095 11.062 1047 HE3 LYS 136 1HE LYS 136 5.207 11.148 10.231 1048 HZ1 LYS 136 1HZ LYS 136 4.872 12.337 12.067 1049 HZ2 LYS 136 2HZ LYS 136 6.270 11.594 12.685 1050 HZ3 LYS 136 3HZ LYS 136 4.735 10.966 13.056 1051 H ALA 137 H ALA 137 2.956 4.861 9.151 1052 HA ALA 137 HA ALA 137 5.750 4.646 8.420 1053 HB1 ALA 137 1HB ALA 137 5.067 2.958 9.903 1054 HB2 ALA 137 2HB ALA 137 5.161 2.108 8.364 1055 HB3 ALA 137 3HB ALA 137 3.597 2.619 8.990 1056 H LEU 138 H LEU 138 2.697 3.791 6.815 1057 HA LEU 138 HA LEU 138 3.931 2.800 4.408 1058 HB2 LEU 138 2HB LEU 138 1.184 4.034 4.797 1059 HB3 LEU 138 1HB LEU 138 1.699 3.092 3.402 1060 HG LEU 138 HG LEU 138 1.545 2.094 6.259 1061 HD11 LEU 138 1HD1 LEU 138 -0.205 0.578 5.233 1062 HD12 LEU 138 2HD1 LEU 138 -0.127 1.580 3.784 1063 HD13 LEU 138 3HD1 LEU 138 -0.666 2.278 5.311 1064 HD21 LEU 138 1HD2 LEU 138 2.677 0.976 3.720 1065 HD22 LEU 138 2HD2 LEU 138 1.873 -0.130 4.833 1066 HD23 LEU 138 3HD2 LEU 138 3.264 0.808 5.375 1067 H ASP 139 H ASP 139 3.233 5.940 5.706 1068 HA ASP 139 HA ASP 139 4.121 8.013 5.002 1069 HB2 ASP 139 2HB ASP 139 5.721 6.295 3.675 1070 HB3 ASP 139 1HB ASP 139 4.905 7.060 2.317 1071 H GLY 140 H GLY 140 2.251 9.161 4.750 1072 HA2 GLY 140 2HA GLY 140 0.830 8.923 2.132 1073 HA3 GLY 140 1HA GLY 140 0.033 9.365 3.636 1074 HA PRO 141 HA PRO 141 2.870 13.135 2.491 1075 HB2 PRO 141 2HB PRO 141 3.507 13.261 -0.211 1076 HB3 PRO 141 1HB PRO 141 4.600 12.711 1.073 1077 HG2 PRO 141 2HG PRO 141 3.039 11.143 -0.885 1078 HG3 PRO 141 1HG PRO 141 4.600 10.787 -0.130 1079 HD2 PRO 141 2HD PRO 141 2.247 9.578 0.592 1080 HD3 PRO 141 1HD PRO 141 3.633 9.758 1.688 1081 H SER 142 H SER 142 1.779 15.034 2.102 1082 HA SER 142 HA SER 142 -0.819 14.867 0.759 1083 HB2 SER 142 2HB SER 142 -1.297 16.485 2.245 1084 HB3 SER 142 1HB SER 142 0.387 16.520 2.757 1085 HG SER 142 HG SER 142 0.675 17.837 0.756 1086 HA PRO 143 HA PRO 143 1.639 18.211 -1.940 1087 HB2 PRO 143 2HB PRO 143 4.264 16.798 -1.839 1088 HB3 PRO 143 1HB PRO 143 3.917 18.540 -1.863 1089 HG2 PRO 143 2HG PRO 143 4.700 17.330 0.365 1090 HG3 PRO 143 1HG PRO 143 3.484 18.620 0.397 1091 HD2 PRO 143 2HD PRO 143 3.104 15.664 0.676 1092 HD3 PRO 143 1HD PRO 143 2.228 16.992 1.473 1093 H GLY 144 H GLY 144 2.214 14.732 -1.893 1094 HA2 GLY 144 2HA GLY 144 1.538 14.669 -4.779 1095 HA3 GLY 144 1HA GLY 144 2.992 13.828 -4.238 1096 H GLU 145 H GLU 145 1.038 12.332 -5.430 1097 HA GLU 145 HA GLU 145 -0.437 11.034 -3.198 1098 HB2 GLU 145 2HB GLU 145 -0.784 10.750 -6.189 1099 HB3 GLU 145 1HB GLU 145 -1.782 9.966 -4.967 1100 HG2 GLU 145 2HG GLU 145 -1.461 12.965 -5.288 1101 HG3 GLU 145 1HG GLU 145 -2.848 12.030 -5.849 1102 H THR 146 H THR 146 -0.486 8.589 -3.311 1103 HA THR 146 HA THR 146 2.131 7.507 -3.287 1104 HB THR 146 HB THR 146 -0.513 6.103 -3.680 1105 HG1 THR 146 1HG THR 146 -0.209 7.322 -1.733 1106 HG21 THR 146 1HG2 THR 146 0.769 4.124 -2.778 1107 HG22 THR 146 2HG2 THR 146 2.245 5.059 -3.018 1108 HG23 THR 146 3HG2 THR 146 1.238 4.629 -4.402 1109 H LEU 147 H LEU 147 -0.315 7.556 -5.838 1110 HA LEU 147 HA LEU 147 1.155 5.918 -7.675 1111 HB2 LEU 147 2HB LEU 147 -0.920 8.050 -8.259 1112 HB3 LEU 147 1HB LEU 147 -0.385 6.784 -9.357 1113 HG LEU 147 HG LEU 147 -1.029 5.185 -7.350 1114 HD11 LEU 147 1HD1 LEU 147 -3.385 6.673 -6.759 1115 HD12 LEU 147 2HD1 LEU 147 -2.012 7.721 -6.414 1116 HD13 LEU 147 3HD1 LEU 147 -2.129 6.144 -5.644 1117 HD21 LEU 147 1HD2 LEU 147 -3.536 5.502 -8.353 1118 HD22 LEU 147 2HD2 LEU 147 -2.238 4.678 -9.219 1119 HD23 LEU 147 3HD2 LEU 147 -2.599 6.364 -9.571 1120 H ALA 148 H ALA 148 1.257 9.317 -6.844 1121 HA ALA 148 HA ALA 148 2.627 10.239 -9.193 1122 HB1 ALA 148 1HB ALA 148 3.286 11.750 -6.806 1123 HB2 ALA 148 2HB ALA 148 1.560 11.394 -6.884 1124 HB3 ALA 148 3HB ALA 148 2.345 12.242 -8.216 1125 H ARG 149 H ARG 149 3.903 9.399 -5.949 1126 HA ARG 149 HA ARG 149 6.612 9.971 -6.678 1127 HB2 ARG 149 2HB ARG 149 7.052 8.390 -4.627 1128 HB3 ARG 149 1HB ARG 149 6.308 9.969 -4.382 1129 HG2 ARG 149 2HG ARG 149 4.285 9.077 -3.824 1130 HG3 ARG 149 1HG ARG 149 4.430 7.772 -4.998 1131 HD2 ARG 149 2HD ARG 149 5.593 6.395 -3.541 1132 HD3 ARG 149 1HD ARG 149 6.243 7.749 -2.615 1133 HE ARG 149 HE ARG 149 3.468 7.795 -2.197 1134 HH11 ARG 149 1HH1 ARG 149 2.568 6.807 -0.374 1135 HH12 ARG 149 2HH1 ARG 149 3.438 5.544 0.428 1136 HH21 ARG 149 1HH2 ARG 149 6.138 5.662 -1.746 1137 HH22 ARG 149 2HH2 ARG 149 5.460 4.895 -0.348 1138 H PHE 150 H PHE 150 4.959 6.795 -6.361 1139 HA PHE 150 HA PHE 150 7.258 5.328 -7.247 1140 HB2 PHE 150 2HB PHE 150 6.012 3.502 -6.804 1141 HB3 PHE 150 1HB PHE 150 4.847 4.645 -6.135 1142 HD1 PHE 150 1HD PHE 150 5.196 1.954 -8.291 1143 HD2 PHE 150 2HD PHE 150 3.363 5.820 -8.073 1144 HE1 PHE 150 1HE PHE 150 3.555 1.267 -10.018 1145 HE2 PHE 150 2HE PHE 150 1.714 5.141 -9.798 1146 HZ PHE 150 HZ PHE 150 1.820 2.861 -10.768 1147 H ALA 151 H ALA 151 4.551 6.793 -8.979 1148 HA ALA 151 HA ALA 151 5.071 5.509 -11.507 1149 HB1 ALA 151 1HB ALA 151 3.799 7.443 -12.453 1150 HB2 ALA 151 2HB ALA 151 3.805 8.184 -10.855 1151 HB3 ALA 151 3HB ALA 151 2.960 6.658 -11.114 1152 H ASN 152 H ASN 152 6.223 8.444 -9.955 1153 HA ASN 152 HA ASN 152 7.620 9.594 -12.140 1154 HB2 ASN 152 2HB ASN 152 8.151 9.698 -9.178 1155 HB3 ASN 152 1HB ASN 152 8.981 10.706 -10.355 1156 HD21 ASN 152 1HD2 ASN 152 7.317 11.828 -8.301 1157 HD22 ASN 152 2HD2 ASN 152 5.957 12.531 -9.044 1158 H VAL 153 H VAL 153 8.860 7.455 -9.566 1159 HA VAL 153 HA VAL 153 11.511 7.339 -10.666 1160 HB VAL 153 HB VAL 153 11.756 5.353 -9.160 1161 HG11 VAL 153 1HG1 VAL 153 10.459 7.859 -8.050 1162 HG12 VAL 153 2HG1 VAL 153 12.185 7.568 -8.264 1163 HG13 VAL 153 3HG1 VAL 153 11.282 6.657 -7.054 1164 HG21 VAL 153 1HG2 VAL 153 8.812 5.880 -8.794 1165 HG22 VAL 153 2HG2 VAL 153 9.759 4.998 -7.606 1166 HG23 VAL 153 3HG2 VAL 153 9.588 4.365 -9.241 1167 H ILE 154 H ILE 154 8.642 5.311 -11.057 1168 HA ILE 154 HA ILE 154 9.907 3.247 -12.569 1169 HB ILE 154 HB ILE 154 7.060 4.235 -12.437 1170 HG12 ILE 154 2HG1 ILE 154 8.423 1.765 -11.366 1171 HG13 ILE 154 1HG1 ILE 154 8.042 3.192 -10.416 1172 HG21 ILE 154 1HG2 ILE 154 6.543 2.015 -13.550 1173 HG22 ILE 154 2HG2 ILE 154 8.258 1.901 -13.938 1174 HG23 ILE 154 3HG2 ILE 154 7.289 3.217 -14.598 1175 HD11 ILE 154 1HD1 ILE 154 6.323 1.392 -10.185 1176 HD12 ILE 154 2HD1 ILE 154 5.983 1.548 -11.906 1177 HD13 ILE 154 3HD1 ILE 154 5.667 2.900 -10.821 1178 HBB 96F 201 HBB SUM 155 0.549 9.861 -1.014 1179 HBC 96F 201 HBC SUM 155 0.244 10.906 0.395 1180 HBA 96F 201 HBA SUM 155 -0.787 11.037 -1.050 1181 HA2 96F 201 2HA SUM 155 -1.705 9.716 1.010 1182 HA1 96F 201 1HA SUM 155 -0.587 8.435 0.491 1183 HAY 96F 201 HAY SUM 155 -3.955 9.887 -1.538 1184 HAZ 96F 201 HAZ SUM 155 -3.423 10.274 0.117 1185 HA0 96F 201 0HA SUM 155 -4.201 8.712 -0.222 1186 HBE 96F 201 HBE SUM 155 -2.256 8.855 -2.910 1187 H1 96F 201 HAV SUM 155 -3.450 7.299 -2.828 1188 HAS 96F 201 HAS SUM 155 -5.802 5.133 -3.148 1189 HAT 96F 201 HAT SUM 155 -5.908 5.646 -4.849 1190 HAU 96F 201 HAU SUM 155 -4.963 6.607 -3.688 1191 HAK 96F 201 HAK SUM 155 -4.734 4.467 -6.300 1192 HAF 96F 201 HAF SUM 155 -2.002 2.194 -9.546 1193 HAE 96F 201 HAE SUM 155 0.087 1.002 -10.139 1194 HAD 96F 201 HAD SUM 155 1.860 0.679 -8.427 1195 HAR 96F 201 HAR SUM 155 1.856 2.423 -5.489 1196 HAQ 96F 201 HAQ SUM 155 -2.028 3.000 -1.965 Start of MODEL 16 1 H MET 1 1HT MET 1 -2.943 14.727 5.094 2 HA MET 1 HA MET 1 -3.116 12.810 6.224 3 HB2 MET 1 2HB MET 1 -1.266 12.616 7.972 4 HB3 MET 1 1HB MET 1 -0.753 13.171 6.378 5 HG2 MET 1 2HG MET 1 -1.599 15.400 8.040 6 HG3 MET 1 1HG MET 1 -0.313 14.479 8.818 7 HE1 MET 1 1HE MET 1 2.175 16.840 7.618 8 HE2 MET 1 2HE MET 1 2.220 15.226 8.323 9 HE3 MET 1 3HE MET 1 1.019 16.388 8.878 10 HA PRO 2 HA PRO 2 -5.779 14.596 9.661 11 HB2 PRO 2 2HB PRO 2 -7.776 12.756 8.513 12 HB3 PRO 2 1HB PRO 2 -7.917 14.486 8.878 13 HG2 PRO 2 2HG PRO 2 -7.780 13.529 6.364 14 HG3 PRO 2 1HG PRO 2 -7.154 15.120 6.829 15 HD2 PRO 2 2HD PRO 2 -5.653 12.594 6.262 16 HD3 PRO 2 1HD PRO 2 -5.184 14.284 5.955 17 H GLU 3 H GLU 3 -6.230 13.522 11.610 18 HA GLU 3 HA GLU 3 -4.931 11.024 12.111 19 HB2 GLU 3 2HB GLU 3 -7.058 12.499 13.693 20 HB3 GLU 3 1HB GLU 3 -6.130 11.130 14.299 21 HG2 GLU 3 2HG GLU 3 -4.032 12.402 13.909 22 HG3 GLU 3 1HG GLU 3 -4.993 13.783 13.382 23 H GLU 4 H GLU 4 -8.195 11.875 11.161 24 HA GLU 4 HA GLU 4 -9.153 9.110 11.582 25 HB2 GLU 4 2HB GLU 4 -10.587 11.097 12.120 26 HB3 GLU 4 1HB GLU 4 -10.604 11.476 10.399 27 HG2 GLU 4 2HG GLU 4 -11.565 9.229 9.935 28 HG3 GLU 4 1HG GLU 4 -11.626 8.924 11.674 29 H ILE 5 H ILE 5 -9.600 7.693 9.899 30 HA ILE 5 HA ILE 5 -8.837 8.622 7.161 31 HB ILE 5 HB ILE 5 -8.724 5.735 7.651 32 HG12 ILE 5 2HG1 ILE 5 -7.954 6.631 9.866 33 HG13 ILE 5 1HG1 ILE 5 -6.741 5.712 8.991 34 HG21 ILE 5 1HG2 ILE 5 -6.842 7.793 6.517 35 HG22 ILE 5 2HG2 ILE 5 -7.863 6.672 5.619 36 HG23 ILE 5 3HG2 ILE 5 -6.502 6.067 6.561 37 HD11 ILE 5 1HD1 ILE 5 -6.824 8.599 8.405 38 HD12 ILE 5 2HD1 ILE 5 -5.441 7.523 8.610 39 HD13 ILE 5 3HD1 ILE 5 -6.277 8.163 10.024 40 HA PRO 6 HA PRO 6 -13.189 7.184 6.870 41 HB2 PRO 6 2HB PRO 6 -14.021 9.122 5.124 42 HB3 PRO 6 1HB PRO 6 -14.005 9.333 6.884 43 HG2 PRO 6 2HG PRO 6 -12.198 10.436 4.839 44 HG3 PRO 6 1HG PRO 6 -12.623 11.068 6.434 45 HD2 PRO 6 2HD PRO 6 -10.232 9.723 5.753 46 HD3 PRO 6 1HD PRO 6 -10.797 10.098 7.395 47 H ASP 7 H ASP 7 -14.397 6.386 4.926 48 HA ASP 7 HA ASP 7 -12.657 5.047 3.089 49 HB2 ASP 7 2HB ASP 7 -14.783 4.456 1.905 50 HB3 ASP 7 1HB ASP 7 -14.834 4.111 3.633 51 H VAL 8 H VAL 8 -11.750 5.795 1.250 52 HA VAL 8 HA VAL 8 -13.073 8.030 -0.204 53 HB VAL 8 HB VAL 8 -11.284 8.980 1.255 54 HG11 VAL 8 1HG1 VAL 8 -8.944 8.427 0.780 55 HG12 VAL 8 2HG1 VAL 8 -9.449 7.263 -0.445 56 HG13 VAL 8 3HG1 VAL 8 -9.822 6.975 1.253 57 HG21 VAL 8 1HG2 VAL 8 -10.323 9.095 -1.596 58 HG22 VAL 8 2HG2 VAL 8 -10.424 10.396 -0.410 59 HG23 VAL 8 3HG2 VAL 8 -11.893 9.769 -1.160 60 H ARG 9 H ARG 9 -12.872 7.859 -2.451 61 HA ARG 9 HA ARG 9 -11.253 5.540 -3.447 62 HB2 ARG 9 2HB ARG 9 -13.714 5.144 -3.552 63 HB3 ARG 9 1HB ARG 9 -13.871 6.574 -4.578 64 HG2 ARG 9 2HG ARG 9 -12.319 5.541 -6.219 65 HG3 ARG 9 1HG ARG 9 -12.238 4.096 -5.210 66 HD2 ARG 9 2HD ARG 9 -14.711 3.848 -5.431 67 HD3 ARG 9 1HD ARG 9 -14.723 5.229 -6.530 68 HE ARG 9 HE ARG 9 -13.740 2.530 -7.156 69 HH11 ARG 9 1HH1 ARG 9 -13.168 2.225 -9.322 70 HH12 ARG 9 2HH1 ARG 9 -13.012 3.599 -10.365 71 HH21 ARG 9 1HH2 ARG 9 -13.818 5.897 -7.895 72 HH22 ARG 9 2HH2 ARG 9 -13.380 5.679 -9.557 73 H LYS 10 H LYS 10 -9.720 6.103 -4.912 74 HA LYS 10 HA LYS 10 -10.146 8.573 -6.530 75 HB2 LYS 10 2HB LYS 10 -7.594 7.815 -5.074 76 HB3 LYS 10 1HB LYS 10 -7.761 9.167 -6.198 77 HG2 LYS 10 2HG LYS 10 -9.555 10.106 -4.733 78 HG3 LYS 10 1HG LYS 10 -9.246 8.807 -3.581 79 HD2 LYS 10 2HD LYS 10 -6.869 9.562 -3.429 80 HD3 LYS 10 1HD LYS 10 -7.270 10.923 -4.478 81 HE2 LYS 10 2HE LYS 10 -7.753 12.021 -2.553 82 HE3 LYS 10 1HE LYS 10 -9.241 11.075 -2.561 83 HZ1 LYS 10 1HZ LYS 10 -8.348 10.633 -0.493 84 HZ2 LYS 10 2HZ LYS 10 -6.749 10.595 -1.062 85 HZ3 LYS 10 3HZ LYS 10 -7.805 9.309 -1.402 86 H SER 11 H SER 11 -9.242 8.474 -8.619 87 HA SER 11 HA SER 11 -7.816 5.963 -9.352 88 HB2 SER 11 2HB SER 11 -9.216 5.692 -11.334 89 HB3 SER 11 1HB SER 11 -10.242 5.715 -9.899 90 HG SER 11 HG SER 11 -10.235 7.364 -12.019 91 H VAL 12 H VAL 12 -6.341 6.234 -11.082 92 HA VAL 12 HA VAL 12 -6.235 8.790 -12.516 93 HB VAL 12 HB VAL 12 -4.689 8.375 -10.106 94 HG11 VAL 12 1HG1 VAL 12 -2.939 7.476 -11.566 95 HG12 VAL 12 2HG1 VAL 12 -2.487 9.087 -11.017 96 HG13 VAL 12 3HG1 VAL 12 -3.104 8.859 -12.652 97 HG21 VAL 12 1HG2 VAL 12 -4.662 10.676 -12.074 98 HG22 VAL 12 2HG2 VAL 12 -4.295 10.740 -10.350 99 HG23 VAL 12 3HG2 VAL 12 -5.944 10.422 -10.889 100 H VAL 13 H VAL 13 -4.667 8.713 -14.287 101 HA VAL 13 HA VAL 13 -4.028 5.910 -15.045 102 HB VAL 13 HB VAL 13 -4.110 8.402 -16.772 103 HG11 VAL 13 1HG1 VAL 13 -4.315 6.515 -18.556 104 HG12 VAL 13 2HG1 VAL 13 -3.649 5.472 -17.300 105 HG13 VAL 13 3HG1 VAL 13 -2.722 6.856 -17.878 106 HG21 VAL 13 1HG2 VAL 13 -6.113 6.156 -16.839 107 HG22 VAL 13 2HG2 VAL 13 -6.293 7.819 -17.402 108 HG23 VAL 13 3HG2 VAL 13 -6.300 7.467 -15.674 109 H VAL 14 H VAL 14 -1.907 5.286 -15.254 110 HA VAL 14 HA VAL 14 0.175 7.430 -15.169 111 HB VAL 14 HB VAL 14 1.522 5.934 -13.707 112 HG11 VAL 14 1HG1 VAL 14 -1.171 6.968 -12.891 113 HG12 VAL 14 2HG1 VAL 14 0.427 7.558 -12.444 114 HG13 VAL 14 3HG1 VAL 14 -0.204 6.082 -11.715 115 HG21 VAL 14 1HG2 VAL 14 0.584 3.784 -14.298 116 HG22 VAL 14 2HG2 VAL 14 -1.021 4.288 -13.770 117 HG23 VAL 14 3HG2 VAL 14 0.265 4.057 -12.587 118 H ALA 15 H ALA 15 2.316 6.655 -15.989 119 HA ALA 15 HA ALA 15 1.920 5.052 -18.410 120 HB1 ALA 15 1HB ALA 15 3.986 5.882 -19.109 121 HB2 ALA 15 2HB ALA 15 4.609 5.987 -17.461 122 HB3 ALA 15 3HB ALA 15 3.439 7.175 -18.040 123 H ALA 16 H ALA 16 1.614 2.878 -17.701 124 HA ALA 16 HA ALA 16 4.004 1.379 -17.215 125 HB1 ALA 16 1HB ALA 16 4.157 1.996 -14.993 126 HB2 ALA 16 2HB ALA 16 3.084 0.605 -14.841 127 HB3 ALA 16 3HB ALA 16 2.417 2.237 -14.832 128 H SER 17 H SER 17 3.504 -0.948 -16.820 129 HA SER 17 HA SER 17 0.865 -1.647 -17.987 130 HB2 SER 17 2HB SER 17 2.942 -2.543 -19.078 131 HB3 SER 17 1HB SER 17 3.315 -3.394 -17.580 132 HG SER 17 HG SER 17 1.978 -4.876 -18.206 133 H VAL 18 H VAL 18 -0.509 -3.132 -16.836 134 HA VAL 18 HA VAL 18 -0.522 -2.922 -14.025 135 HB VAL 18 HB VAL 18 -2.194 -4.697 -14.060 136 HG11 VAL 18 1HG1 VAL 18 -2.608 -2.349 -15.035 137 HG12 VAL 18 2HG1 VAL 18 -3.760 -3.611 -15.481 138 HG13 VAL 18 3HG1 VAL 18 -2.499 -3.125 -16.612 139 HG21 VAL 18 1HG2 VAL 18 -1.375 -6.388 -15.454 140 HG22 VAL 18 2HG2 VAL 18 -0.921 -5.253 -16.725 141 HG23 VAL 18 3HG2 VAL 18 -2.619 -5.662 -16.471 142 H GLU 19 H GLU 19 0.891 -5.439 -16.090 143 HA GLU 19 HA GLU 19 1.624 -7.231 -14.000 144 HB2 GLU 19 2HB GLU 19 2.929 -6.650 -16.665 145 HB3 GLU 19 1HB GLU 19 3.374 -7.996 -15.627 146 HG2 GLU 19 2HG GLU 19 1.033 -8.826 -15.733 147 HG3 GLU 19 1HG GLU 19 0.639 -7.507 -16.835 148 H HIS 20 H HIS 20 3.213 -4.421 -15.423 149 HA HIS 20 HA HIS 20 5.643 -4.615 -13.900 150 HB2 HIS 20 2HB HIS 20 5.634 -3.205 -15.853 151 HB3 HIS 20 1HB HIS 20 4.282 -2.257 -15.222 152 HD1 HIS 20 1HD HIS 20 7.941 -2.478 -15.174 153 HD2 HIS 20 2HD HIS 20 5.000 -0.774 -12.741 154 HE1 HIS 20 1HE HIS 20 9.127 -0.870 -13.622 155 HE2 HIS 20 2HE HIS 20 7.354 0.193 -12.168 156 H CYS 21 H CYS 21 2.560 -2.958 -13.363 157 HA CYS 21 HA CYS 21 3.192 -1.389 -11.145 158 HB2 CYS 21 2HB CYS 21 0.696 -3.033 -11.647 159 HB3 CYS 21 1HB CYS 21 0.828 -1.770 -10.427 160 HG CYS 21 HG CYS 21 1.339 -0.071 -12.439 161 H PHE 22 H PHE 22 2.415 -4.850 -11.250 162 HA PHE 22 HA PHE 22 2.800 -5.059 -8.363 163 HB2 PHE 22 2HB PHE 22 1.750 -6.780 -10.457 164 HB3 PHE 22 1HB PHE 22 2.813 -7.655 -9.343 165 HD1 PHE 22 1HD PHE 22 2.160 -8.099 -7.108 166 HD2 PHE 22 2HD PHE 22 -0.091 -5.330 -9.497 167 HE1 PHE 22 1HE PHE 22 0.455 -7.942 -5.315 168 HE2 PHE 22 2HE PHE 22 -1.791 -5.171 -7.718 169 HZ PHE 22 HZ PHE 22 -1.522 -6.472 -5.629 170 H GLU 23 H GLU 23 4.746 -5.444 -11.221 171 HA GLU 23 HA GLU 23 6.819 -7.052 -10.102 172 HB2 GLU 23 2HB GLU 23 6.716 -6.482 -12.507 173 HB3 GLU 23 1HB GLU 23 7.047 -4.798 -12.109 174 HG2 GLU 23 2HG GLU 23 9.200 -5.474 -11.084 175 HG3 GLU 23 1HG GLU 23 8.880 -7.145 -11.554 176 H VAL 24 H VAL 24 6.190 -3.572 -10.039 177 HA VAL 24 HA VAL 24 8.579 -2.848 -8.631 178 HB VAL 24 HB VAL 24 5.870 -1.492 -8.799 179 HG11 VAL 24 1HG1 VAL 24 7.276 0.542 -8.184 180 HG12 VAL 24 2HG1 VAL 24 8.540 -0.592 -7.710 181 HG13 VAL 24 3HG1 VAL 24 6.983 -0.613 -6.885 182 HG21 VAL 24 1HG2 VAL 24 6.895 -0.146 -10.531 183 HG22 VAL 24 2HG2 VAL 24 7.141 -1.843 -10.948 184 HG23 VAL 24 3HG2 VAL 24 8.464 -0.903 -10.257 185 H PHE 25 H PHE 25 5.284 -3.661 -7.582 186 HA PHE 25 HA PHE 25 5.582 -3.053 -4.828 187 HB2 PHE 25 2HB PHE 25 3.838 -4.968 -6.356 188 HB3 PHE 25 1HB PHE 25 3.762 -4.879 -4.602 189 HD1 PHE 25 1HD PHE 25 1.390 -4.142 -4.812 190 HD2 PHE 25 2HD PHE 25 4.618 -1.790 -6.422 191 HE1 PHE 25 1HE PHE 25 -0.089 -2.169 -4.943 192 HE2 PHE 25 2HE PHE 25 3.138 0.158 -6.541 193 HZ PHE 25 HZ PHE 25 0.791 -0.016 -5.800 194 H THR 26 H THR 26 6.281 -6.064 -6.581 195 HA THR 26 HA THR 26 7.278 -7.225 -4.052 196 HB THR 26 HB THR 26 7.443 -9.319 -5.341 197 HG1 THR 26 1HG THR 26 7.459 -9.219 -7.419 198 HG21 THR 26 1HG2 THR 26 4.805 -8.921 -6.177 199 HG22 THR 26 2HG2 THR 26 5.028 -7.788 -4.844 200 HG23 THR 26 3HG2 THR 26 5.325 -9.510 -4.597 201 H SER 27 H SER 27 8.556 -5.355 -6.510 202 HA SER 27 HA SER 27 11.170 -6.745 -6.484 203 HB2 SER 27 2HB SER 27 10.135 -4.417 -8.088 204 HB3 SER 27 1HB SER 27 11.784 -5.007 -8.183 205 HG SER 27 HG SER 27 10.870 -7.077 -8.716 206 H ARG 28 H ARG 28 9.812 -3.525 -5.620 207 HA ARG 28 HA ARG 28 11.688 -3.179 -3.468 208 HB2 ARG 28 2HB ARG 28 12.945 -1.241 -4.637 209 HB3 ARG 28 1HB ARG 28 13.438 -2.886 -5.018 210 HG2 ARG 28 2HG ARG 28 13.286 -1.790 -7.123 211 HG3 ARG 28 1HG ARG 28 11.818 -2.743 -7.021 212 HD2 ARG 28 2HD ARG 28 10.491 -0.814 -6.515 213 HD3 ARG 28 1HD ARG 28 11.923 0.169 -6.182 214 HE ARG 28 HE ARG 28 10.829 -0.445 -8.824 215 HH11 ARG 28 1HH1 ARG 28 11.891 0.559 -10.547 216 HH12 ARG 28 2HH1 ARG 28 13.439 1.289 -10.285 217 HH21 ARG 28 1HH2 ARG 28 13.558 0.458 -6.921 218 HH22 ARG 28 2HH2 ARG 28 14.383 1.232 -8.232 219 HA PRO 29 HA PRO 29 8.054 -0.199 -4.142 220 HB2 PRO 29 2HB PRO 29 6.790 -0.825 -1.753 221 HB3 PRO 29 1HB PRO 29 6.377 -1.520 -3.332 222 HG2 PRO 29 2HG PRO 29 8.078 -2.630 -1.162 223 HG3 PRO 29 1HG PRO 29 6.899 -3.448 -2.193 224 HD2 PRO 29 2HD PRO 29 9.548 -3.676 -2.684 225 HD3 PRO 29 1HD PRO 29 8.379 -3.579 -4.014 226 H ALA 30 H ALA 30 10.268 -0.911 -1.537 227 HA ALA 30 HA ALA 30 9.700 1.562 -0.073 228 HB1 ALA 30 1HB ALA 30 11.812 0.790 1.201 229 HB2 ALA 30 2HB ALA 30 11.680 -0.677 0.238 230 HB3 ALA 30 3HB ALA 30 10.364 -0.210 1.316 231 H ASP 31 H ASP 31 12.330 0.373 -2.140 232 HA ASP 31 HA ASP 31 14.183 2.438 -1.759 233 HB2 ASP 31 2HB ASP 31 13.548 0.912 -4.291 234 HB3 ASP 31 1HB ASP 31 14.980 1.914 -4.068 235 H TRP 32 H TRP 32 11.249 2.550 -3.770 236 HA TRP 32 HA TRP 32 12.120 5.168 -4.846 237 HB2 TRP 32 2HB TRP 32 10.791 4.676 -6.578 238 HB3 TRP 32 1HB TRP 32 10.442 3.121 -5.822 239 HD1 TRP 32 HD TRP 32 9.056 6.659 -6.192 240 HE1 TRP 32 1HE TRP 32 6.586 6.672 -5.469 241 HE3 TRP 32 3HE TRP 32 8.652 1.924 -4.393 242 HZ2 TRP 32 2HZ TRP 32 4.706 4.890 -4.294 243 HZ3 TRP 32 3HZ TRP 32 6.478 1.106 -3.477 244 HH2 TRP 32 HH TRP 32 4.508 2.585 -3.436 245 H TRP 33 H TRP 33 10.513 4.150 -2.057 246 HA TRP 33 HA TRP 33 8.340 5.866 -1.783 247 HB2 TRP 33 2HB TRP 33 8.416 4.977 0.274 248 HB3 TRP 33 1HB TRP 33 10.094 4.485 0.046 249 HD1 TRP 33 HD TRP 33 11.790 5.680 1.518 250 HE1 TRP 33 1HE TRP 33 11.844 7.888 2.858 251 HE3 TRP 33 3HE TRP 33 7.251 7.609 0.214 252 HZ2 TRP 33 2HZ TRP 33 10.165 10.170 3.314 253 HZ3 TRP 33 3HZ TRP 33 6.502 9.793 1.111 254 HH2 TRP 33 HH TRP 33 7.953 11.075 2.659 255 HA PRO 34 HA PRO 34 11.376 9.409 -0.437 256 HB2 PRO 34 2HB PRO 34 13.861 8.787 -1.882 257 HB3 PRO 34 1HB PRO 34 13.626 9.214 -0.178 258 HG2 PRO 34 2HG PRO 34 14.317 6.743 -0.950 259 HG3 PRO 34 1HG PRO 34 13.284 7.044 0.459 260 HD2 PRO 34 2HD PRO 34 12.498 6.162 -2.300 261 HD3 PRO 34 1HD PRO 34 11.879 5.607 -0.732 262 HA PRO 35 HA PRO 35 10.566 10.913 -4.670 263 HB2 PRO 35 2HB PRO 35 9.298 13.205 -3.991 264 HB3 PRO 35 1HB PRO 35 8.495 11.625 -3.911 265 HG2 PRO 35 2HG PRO 35 9.574 13.310 -1.731 266 HG3 PRO 35 1HG PRO 35 8.183 12.219 -1.736 267 HD2 PRO 35 2HD PRO 35 10.726 11.626 -0.683 268 HD3 PRO 35 1HD PRO 35 9.442 10.452 -1.032 269 H SER 36 H SER 36 11.200 13.582 -2.348 270 HA SER 36 HA SER 36 13.868 14.067 -3.307 271 HB2 SER 36 2HB SER 36 12.592 14.755 -5.331 272 HB3 SER 36 1HB SER 36 11.735 15.946 -4.358 273 HG SER 36 HG SER 36 14.557 15.842 -4.449 274 H HIS 37 H HIS 37 14.911 15.571 -2.029 275 HA HIS 37 HA HIS 37 15.273 16.964 -0.190 276 HB2 HIS 37 2HB HIS 37 13.980 18.515 -1.651 277 HB3 HIS 37 1HB HIS 37 12.500 17.982 -0.855 278 HD1 HIS 37 1HD HIS 37 15.906 19.358 0.213 279 HD2 HIS 37 2HD HIS 37 11.892 19.546 1.333 280 HE1 HIS 37 1HE HIS 37 15.781 20.970 2.165 281 HE2 HIS 37 2HE HIS 37 13.342 21.092 2.854 282 H VAL 38 H VAL 38 12.900 14.587 -0.086 283 HA VAL 38 HA VAL 38 12.653 14.996 2.865 284 HB VAL 38 HB VAL 38 10.550 15.725 1.773 285 HG11 VAL 38 1HG1 VAL 38 11.028 13.793 -0.045 286 HG12 VAL 38 2HG1 VAL 38 9.416 14.444 0.247 287 HG13 VAL 38 3HG1 VAL 38 9.905 12.927 1.002 288 HG21 VAL 38 1HG2 VAL 38 10.287 13.084 3.247 289 HG22 VAL 38 2HG2 VAL 38 9.052 14.336 3.125 290 HG23 VAL 38 3HG2 VAL 38 10.536 14.647 4.024 291 H LEU 39 H LEU 39 12.927 13.169 4.062 292 HA LEU 39 HA LEU 39 13.078 10.560 2.606 293 HB2 LEU 39 2HB LEU 39 14.829 11.456 4.916 294 HB3 LEU 39 1HB LEU 39 14.945 9.923 4.052 295 HG LEU 39 HG LEU 39 15.354 12.666 2.822 296 HD11 LEU 39 1HD1 LEU 39 17.150 11.800 4.408 297 HD12 LEU 39 2HD1 LEU 39 17.691 12.124 2.761 298 HD13 LEU 39 3HD1 LEU 39 17.384 10.466 3.280 299 HD21 LEU 39 1HD2 LEU 39 15.090 9.908 1.738 300 HD22 LEU 39 2HD2 LEU 39 16.386 10.890 1.059 301 HD23 LEU 39 3HD2 LEU 39 14.718 11.454 0.977 302 H VAL 40 H VAL 40 12.265 8.748 3.779 303 HA VAL 40 HA VAL 40 10.122 9.235 5.581 304 HB VAL 40 HB VAL 40 10.200 7.137 4.381 305 HG11 VAL 40 1HG1 VAL 40 12.906 6.929 5.679 306 HG12 VAL 40 2HG1 VAL 40 12.466 6.700 3.988 307 HG13 VAL 40 3HG1 VAL 40 12.050 5.472 5.181 308 HG21 VAL 40 1HG2 VAL 40 9.616 5.670 6.117 309 HG22 VAL 40 2HG2 VAL 40 9.393 7.251 6.865 310 HG23 VAL 40 3HG2 VAL 40 10.845 6.313 7.203 311 H LYS 41 H LYS 41 10.007 9.115 7.875 312 HA LYS 41 HA LYS 41 12.287 10.025 9.323 313 HB2 LYS 41 2HB LYS 41 9.909 10.303 10.058 314 HB3 LYS 41 1HB LYS 41 9.879 8.586 10.450 315 HG2 LYS 41 2HG LYS 41 11.778 8.922 12.011 316 HG3 LYS 41 1HG LYS 41 11.742 10.649 11.653 317 HD2 LYS 41 2HD LYS 41 9.371 10.718 12.443 318 HD3 LYS 41 1HD LYS 41 9.513 9.024 12.911 319 HE2 LYS 41 2HE LYS 41 10.933 9.485 14.677 320 HE3 LYS 41 1HE LYS 41 11.586 10.935 13.913 321 HZ1 LYS 41 1HZ LYS 41 8.761 10.834 14.744 322 HZ2 LYS 41 2HZ LYS 41 9.767 12.186 14.527 323 HZ3 LYS 41 3HZ LYS 41 9.971 11.181 15.882 324 H LYS 42 H LYS 42 10.934 6.777 8.878 325 HA LYS 42 HA LYS 42 13.127 5.618 10.492 326 HB2 LYS 42 2HB LYS 42 10.765 4.341 9.098 327 HB3 LYS 42 1HB LYS 42 11.915 3.491 10.119 328 HG2 LYS 42 2HG LYS 42 11.306 5.070 11.987 329 HG3 LYS 42 1HG LYS 42 10.019 5.696 10.954 330 HD2 LYS 42 2HD LYS 42 10.324 2.789 11.764 331 HD3 LYS 42 1HD LYS 42 9.204 3.929 12.511 332 HE2 LYS 42 2HE LYS 42 8.544 4.294 9.916 333 HE3 LYS 42 1HE LYS 42 9.071 2.613 9.849 334 HZ1 LYS 42 1HZ LYS 42 6.816 2.518 10.382 335 HZ2 LYS 42 2HZ LYS 42 6.919 3.797 11.496 336 HZ3 LYS 42 3HZ LYS 42 7.598 2.285 11.868 337 H GLU 43 H GLU 43 14.763 4.326 9.514 338 HA GLU 43 HA GLU 43 15.087 4.804 6.628 339 HB2 GLU 43 2HB GLU 43 16.881 3.427 8.631 340 HB3 GLU 43 1HB GLU 43 17.312 3.754 6.955 341 HG2 GLU 43 2HG GLU 43 16.959 6.180 7.367 342 HG3 GLU 43 1HG GLU 43 16.621 5.824 9.060 343 H ARG 44 H ARG 44 14.002 3.430 5.302 344 HA ARG 44 HA ARG 44 13.156 0.790 6.032 345 HB2 ARG 44 2HB ARG 44 13.571 2.030 3.291 346 HB3 ARG 44 1HB ARG 44 12.700 0.525 3.600 347 HG2 ARG 44 2HG ARG 44 11.149 1.767 5.105 348 HG3 ARG 44 1HG ARG 44 11.978 3.260 4.691 349 HD2 ARG 44 2HD ARG 44 11.441 2.758 2.263 350 HD3 ARG 44 1HD ARG 44 10.403 1.458 2.850 351 HE ARG 44 HE ARG 44 9.872 4.103 4.020 352 HH11 ARG 44 1HH1 ARG 44 7.805 4.910 3.591 353 HH12 ARG 44 2HH1 ARG 44 6.821 4.140 2.391 354 HH21 ARG 44 1HH2 ARG 44 9.191 1.735 1.607 355 HH22 ARG 44 2HH2 ARG 44 7.606 2.343 1.269 356 H ALA 45 H ALA 45 14.158 -1.212 5.654 357 HA ALA 45 HA ALA 45 17.014 -1.056 4.754 358 HB1 ALA 45 1HB ALA 45 17.618 -2.005 6.697 359 HB2 ALA 45 2HB ALA 45 16.482 -3.331 6.437 360 HB3 ALA 45 3HB ALA 45 15.947 -1.857 7.243 361 H GLY 46 H GLY 46 14.241 -3.307 5.060 362 HA2 GLY 46 2HA GLY 46 14.912 -4.394 2.403 363 HA3 GLY 46 1HA GLY 46 15.101 -5.523 3.741 364 H LEU 47 H LEU 47 13.292 -6.224 1.871 365 HA LEU 47 HA LEU 47 10.804 -6.104 3.408 366 HB2 LEU 47 2HB LEU 47 9.961 -5.608 0.748 367 HB3 LEU 47 1HB LEU 47 9.745 -4.571 2.157 368 HG LEU 47 HG LEU 47 11.896 -3.480 1.728 369 HD11 LEU 47 1HD1 LEU 47 12.565 -4.356 -0.865 370 HD12 LEU 47 2HD1 LEU 47 12.305 -5.827 0.069 371 HD13 LEU 47 3HD1 LEU 47 13.487 -4.638 0.612 372 HD21 LEU 47 1HD2 LEU 47 9.902 -3.716 -0.486 373 HD22 LEU 47 2HD2 LEU 47 11.328 -2.710 -0.713 374 HD23 LEU 47 3HD2 LEU 47 10.194 -2.361 0.594 375 H ALA 48 H ALA 48 9.538 -7.916 3.060 376 HA ALA 48 HA ALA 48 10.591 -9.855 1.050 377 HB1 ALA 48 1HB ALA 48 10.126 -11.567 2.502 378 HB2 ALA 48 2HB ALA 48 8.663 -10.790 3.104 379 HB3 ALA 48 3HB ALA 48 10.243 -10.294 3.717 380 H PHE 49 H PHE 49 9.145 -10.663 -0.496 381 HA PHE 49 HA PHE 49 6.315 -9.756 -0.318 382 HB2 PHE 49 2HB PHE 49 8.385 -8.804 -2.170 383 HB3 PHE 49 1HB PHE 49 6.927 -9.381 -2.977 384 HD1 PHE 49 1HD PHE 49 8.323 -6.888 -0.665 385 HD2 PHE 49 2HD PHE 49 4.772 -8.294 -2.626 386 HE1 PHE 49 1HE PHE 49 7.174 -4.761 -0.110 387 HE2 PHE 49 2HE PHE 49 3.623 -6.170 -2.069 388 HZ PHE 49 HZ PHE 49 4.826 -4.408 -0.818 389 H GLU 50 H GLU 50 5.052 -11.533 -0.723 390 HA GLU 50 HA GLU 50 6.075 -13.457 -2.780 391 HB2 GLU 50 2HB GLU 50 4.774 -14.183 -0.154 392 HB3 GLU 50 1HB GLU 50 5.182 -15.329 -1.420 393 HG2 GLU 50 2HG GLU 50 7.241 -13.479 -0.238 394 HG3 GLU 50 1HG GLU 50 6.849 -15.018 0.526 395 HA PRO 51 HA PRO 51 1.894 -12.686 -4.260 396 HB2 PRO 51 2HB PRO 51 1.871 -14.227 -6.441 397 HB3 PRO 51 1HB PRO 51 2.931 -12.807 -6.330 398 HG2 PRO 51 2HG PRO 51 3.597 -15.693 -5.969 399 HG3 PRO 51 1HG PRO 51 4.504 -14.427 -6.813 400 HD2 PRO 51 2HD PRO 51 5.055 -15.275 -4.225 401 HD3 PRO 51 1HD PRO 51 5.514 -13.692 -4.894 402 H PHE 52 H PHE 52 -0.114 -13.570 -3.773 403 HA PHE 52 HA PHE 52 -0.961 -16.230 -4.088 404 HB2 PHE 52 2HB PHE 52 -0.912 -16.795 -1.506 405 HB3 PHE 52 1HB PHE 52 0.473 -17.171 -2.524 406 HD1 PHE 52 1HD PHE 52 -0.118 -13.607 -1.850 407 HD2 PHE 52 2HD PHE 52 1.835 -17.156 -0.403 408 HE1 PHE 52 1HE PHE 52 1.371 -12.223 -0.483 409 HE2 PHE 52 2HE PHE 52 3.297 -15.743 1.016 410 HZ PHE 52 HZ PHE 52 3.055 -13.268 0.973 411 H VAL 53 H VAL 53 -2.767 -16.729 -2.235 412 HA VAL 53 HA VAL 53 -4.477 -14.297 -2.133 413 HB VAL 53 HB VAL 53 -5.915 -15.899 -2.936 414 HG11 VAL 53 1HG1 VAL 53 -4.146 -17.928 -1.549 415 HG12 VAL 53 2HG1 VAL 53 -4.218 -17.584 -3.278 416 HG13 VAL 53 3HG1 VAL 53 -5.587 -18.350 -2.473 417 HG21 VAL 53 1HG2 VAL 53 -5.901 -16.941 -0.094 418 HG22 VAL 53 2HG2 VAL 53 -7.261 -16.856 -1.213 419 HG23 VAL 53 3HG2 VAL 53 -6.598 -15.377 -0.520 420 H GLY 54 H GLY 54 -5.161 -13.484 -0.044 421 HA2 GLY 54 2HA GLY 54 -4.965 -13.215 2.314 422 HA3 GLY 54 1HA GLY 54 -4.686 -14.967 2.406 423 H GLY 55 H GLY 55 -2.993 -12.840 0.334 424 HA2 GLY 55 2HA GLY 55 -0.433 -13.832 1.018 425 HA3 GLY 55 1HA GLY 55 -0.791 -12.475 -0.045 426 H ARG 56 H ARG 56 1.482 -12.200 1.267 427 HA ARG 56 HA ARG 56 0.824 -10.072 3.225 428 HB2 ARG 56 2HB ARG 56 2.655 -12.406 3.819 429 HB3 ARG 56 1HB ARG 56 2.517 -10.966 4.824 430 HG2 ARG 56 2HG ARG 56 0.072 -11.429 5.074 431 HG3 ARG 56 1HG ARG 56 0.301 -12.931 4.179 432 HD2 ARG 56 2HD ARG 56 2.035 -13.585 5.897 433 HD3 ARG 56 1HD ARG 56 1.531 -12.183 6.841 434 HE ARG 56 HE ARG 56 -0.846 -13.427 6.480 435 HH11 ARG 56 1HH1 ARG 56 -1.640 -15.163 7.687 436 HH12 ARG 56 2HH1 ARG 56 -0.529 -16.251 8.449 437 HH21 ARG 56 1HH2 ARG 56 2.293 -14.595 7.306 438 HH22 ARG 56 2HH2 ARG 56 1.695 -15.930 8.233 439 H TYR 57 H TYR 57 2.334 -8.469 3.390 440 HA TYR 57 HA TYR 57 4.771 -8.637 1.670 441 HB2 TYR 57 2HB TYR 57 3.180 -6.126 2.284 442 HB3 TYR 57 1HB TYR 57 4.549 -6.265 1.184 443 HD1 TYR 57 1HD TYR 57 1.345 -5.558 0.966 444 HD2 TYR 57 2HD TYR 57 3.920 -8.750 -0.334 445 HE1 TYR 57 1HE TYR 57 -0.221 -6.079 -0.881 446 HE2 TYR 57 2HE TYR 57 2.348 -9.272 -2.164 447 HH TYR 57 HH TYR 57 -0.792 -8.077 -2.296 448 H TYR 58 H TYR 58 6.675 -7.992 2.695 449 HA TYR 58 HA TYR 58 6.385 -7.213 5.575 450 HB2 TYR 58 2HB TYR 58 8.571 -8.875 4.316 451 HB3 TYR 58 1HB TYR 58 8.323 -8.576 6.030 452 HD1 TYR 58 1HD TYR 58 6.535 -9.950 3.035 453 HD2 TYR 58 2HD TYR 58 7.055 -10.082 7.295 454 HE1 TYR 58 1HE TYR 58 4.986 -11.865 3.155 455 HE2 TYR 58 2HE TYR 58 5.508 -12.015 7.416 456 HH TYR 58 HH TYR 58 4.801 -13.924 5.576 457 H GLU 59 H GLU 59 7.882 -5.780 6.451 458 HA GLU 59 HA GLU 59 9.796 -4.439 4.579 459 HB2 GLU 59 2HB GLU 59 7.788 -3.005 4.904 460 HB3 GLU 59 1HB GLU 59 8.052 -3.058 6.647 461 HG2 GLU 59 2HG GLU 59 10.316 -2.066 6.285 462 HG3 GLU 59 1HG GLU 59 9.938 -1.915 4.568 463 H TRP 60 H TRP 60 11.776 -3.921 5.541 464 HA TRP 60 HA TRP 60 12.164 -5.002 8.303 465 HB2 TRP 60 2HB TRP 60 13.722 -5.049 5.825 466 HB3 TRP 60 1HB TRP 60 14.669 -4.501 7.206 467 HD1 TRP 60 HD TRP 60 14.162 -6.192 9.508 468 HE1 TRP 60 1HE TRP 60 14.300 -8.772 9.493 469 HE3 TRP 60 3HE TRP 60 13.625 -7.083 4.509 470 HZ2 TRP 60 2HZ TRP 60 14.160 -10.926 7.597 471 HZ3 TRP 60 3HZ TRP 60 13.627 -9.393 3.625 472 HH2 TRP 60 HH TRP 60 13.899 -11.314 5.160 473 H ASP 61 H ASP 61 12.663 -3.536 9.914 474 HA ASP 61 HA ASP 61 13.478 -0.790 8.985 475 HB2 ASP 61 2HB ASP 61 12.855 -0.854 11.788 476 HB3 ASP 61 1HB ASP 61 12.061 0.050 10.505 477 H ILE 62 H ILE 62 15.469 0.007 9.671 478 HA ILE 62 HA ILE 62 17.526 -1.749 10.344 479 HB ILE 62 HB ILE 62 18.876 0.185 10.884 480 HG12 ILE 62 2HG1 ILE 62 17.266 1.342 12.363 481 HG13 ILE 62 1HG1 ILE 62 17.924 2.421 11.149 482 HG21 ILE 62 1HG2 ILE 62 18.491 -0.071 8.553 483 HG22 ILE 62 2HG2 ILE 62 18.288 1.645 8.905 484 HG23 ILE 62 3HG2 ILE 62 16.874 0.619 8.678 485 HD11 ILE 62 1HD1 ILE 62 15.154 1.245 11.318 486 HD12 ILE 62 2HD1 ILE 62 15.792 1.787 9.773 487 HD13 ILE 62 3HD1 ILE 62 15.633 2.923 11.104 488 H ASP 63 H ASP 63 15.456 0.085 12.558 489 HA ASP 63 HA ASP 63 16.794 -1.297 14.838 490 HB2 ASP 63 2HB ASP 63 15.614 0.329 16.251 491 HB3 ASP 63 1HB ASP 63 16.577 1.160 15.030 492 H GLY 64 H GLY 64 14.189 -1.434 12.777 493 HA2 GLY 64 2HA GLY 64 12.530 -2.895 14.763 494 HA3 GLY 64 1HA GLY 64 11.879 -2.124 13.326 495 H THR 65 H THR 65 12.263 -4.947 14.535 496 HA THR 65 HA THR 65 13.664 -6.597 12.717 497 HB THR 65 HB THR 65 11.142 -7.241 14.256 498 HG1 THR 65 1HG THR 65 13.064 -6.243 15.365 499 HG21 THR 65 1HG2 THR 65 13.281 -8.833 12.914 500 HG22 THR 65 2HG2 THR 65 11.547 -9.144 13.014 501 HG23 THR 65 3HG2 THR 65 12.582 -9.465 14.402 502 H GLU 66 H GLU 66 12.166 -8.349 11.459 503 HA GLU 66 HA GLU 66 10.891 -6.864 9.299 504 HB2 GLU 66 2HB GLU 66 12.166 -9.103 9.105 505 HB3 GLU 66 1HB GLU 66 10.723 -9.845 9.758 506 HG2 GLU 66 2HG GLU 66 9.408 -8.778 7.951 507 HG3 GLU 66 1HG GLU 66 10.912 -8.196 7.243 508 H ILE 67 H ILE 67 8.641 -6.704 8.942 509 HA ILE 67 HA ILE 67 6.837 -8.198 10.751 510 HB ILE 67 HB ILE 67 5.601 -6.094 11.318 511 HG12 ILE 67 2HG1 ILE 67 8.102 -4.680 10.415 512 HG13 ILE 67 1HG1 ILE 67 6.708 -4.865 9.351 513 HG21 ILE 67 1HG2 ILE 67 7.226 -7.165 12.866 514 HG22 ILE 67 2HG2 ILE 67 7.167 -5.413 13.061 515 HG23 ILE 67 3HG2 ILE 67 8.503 -6.158 12.184 516 HD11 ILE 67 1HD1 ILE 67 6.599 -3.627 12.116 517 HD12 ILE 67 2HD1 ILE 67 5.279 -3.710 10.949 518 HD13 ILE 67 3HD1 ILE 67 6.689 -2.704 10.616 519 H VAL 68 H VAL 68 4.508 -7.868 10.137 520 HA VAL 68 HA VAL 68 4.285 -7.580 7.165 521 HB VAL 68 HB VAL 68 2.298 -8.860 9.066 522 HG11 VAL 68 1HG1 VAL 68 2.694 -9.051 6.064 523 HG12 VAL 68 2HG1 VAL 68 1.420 -8.143 6.878 524 HG13 VAL 68 3HG1 VAL 68 1.459 -9.902 6.993 525 HG21 VAL 68 1HG2 VAL 68 3.753 -10.572 9.267 526 HG22 VAL 68 2HG2 VAL 68 4.866 -9.831 8.118 527 HG23 VAL 68 3HG2 VAL 68 3.549 -10.851 7.538 528 H TRP 69 H TRP 69 3.225 -5.754 6.454 529 HA TRP 69 HA TRP 69 1.556 -4.304 8.479 530 HB2 TRP 69 2HB TRP 69 2.018 -2.512 6.429 531 HB3 TRP 69 1HB TRP 69 2.888 -2.579 7.960 532 HD1 TRP 69 HD TRP 69 5.259 -3.760 7.988 533 HE1 TRP 69 1HE TRP 69 6.937 -4.274 6.101 534 HE3 TRP 69 3HE TRP 69 2.216 -3.218 3.931 535 HZ2 TRP 69 2HZ TRP 69 6.982 -4.407 3.242 536 HZ3 TRP 69 3HZ TRP 69 3.102 -3.538 1.640 537 HH2 TRP 69 HH TRP 69 5.483 -4.138 1.300 538 H GLY 70 H GLY 70 1.066 -6.309 5.904 539 HA2 GLY 70 2HA GLY 70 -1.624 -5.205 5.511 540 HA3 GLY 70 1HA GLY 70 -0.599 -5.129 4.080 541 H ARG 71 H ARG 71 -2.541 -6.549 3.423 542 HA ARG 71 HA ARG 71 -1.625 -9.328 3.455 543 HB2 ARG 71 2HB ARG 71 -3.584 -8.594 5.295 544 HB3 ARG 71 1HB ARG 71 -4.503 -9.248 3.943 545 HG2 ARG 71 2HG ARG 71 -3.031 -11.260 3.958 546 HG3 ARG 71 1HG ARG 71 -2.250 -10.635 5.410 547 HD2 ARG 71 2HD ARG 71 -3.931 -12.145 6.183 548 HD3 ARG 71 1HD ARG 71 -4.593 -10.531 6.442 549 HE ARG 71 HE ARG 71 -5.382 -11.474 3.855 550 HH11 ARG 71 1HH1 ARG 71 -7.504 -12.207 3.603 551 HH12 ARG 71 2HH1 ARG 71 -8.422 -12.659 5.001 552 HH21 ARG 71 1HH2 ARG 71 -5.867 -11.947 7.235 553 HH22 ARG 71 2HH2 ARG 71 -7.496 -12.511 7.057 554 H ILE 72 H ILE 72 -3.469 -10.569 2.100 555 HA ILE 72 HA ILE 72 -4.380 -8.810 -0.100 556 HB ILE 72 HB ILE 72 -2.738 -11.327 -0.354 557 HG12 ILE 72 2HG1 ILE 72 -1.639 -9.797 -2.119 558 HG13 ILE 72 1HG1 ILE 72 -2.555 -8.488 -1.373 559 HG21 ILE 72 1HG2 ILE 72 -4.567 -10.065 -2.401 560 HG22 ILE 72 2HG2 ILE 72 -4.619 -11.722 -1.798 561 HG23 ILE 72 3HG2 ILE 72 -3.278 -11.193 -2.813 562 HD11 ILE 72 1HD1 ILE 72 -1.344 -9.948 0.740 563 HD12 ILE 72 2HD1 ILE 72 -0.964 -8.318 0.205 564 HD13 ILE 72 3HD1 ILE 72 -0.101 -9.695 -0.481 565 H LEU 73 H LEU 73 -6.142 -10.021 -1.429 566 HA LEU 73 HA LEU 73 -7.687 -11.772 0.441 567 HB2 LEU 73 2HB LEU 73 -8.498 -9.681 -1.550 568 HB3 LEU 73 1HB LEU 73 -9.624 -10.970 -1.131 569 HG LEU 73 HG LEU 73 -8.222 -9.501 1.074 570 HD11 LEU 73 1HD1 LEU 73 -9.907 -7.765 1.090 571 HD12 LEU 73 2HD1 LEU 73 -10.745 -8.506 -0.273 572 HD13 LEU 73 3HD1 LEU 73 -9.154 -7.782 -0.502 573 HD21 LEU 73 1HD2 LEU 73 -10.923 -10.836 0.709 574 HD22 LEU 73 2HD2 LEU 73 -10.467 -9.951 2.161 575 HD23 LEU 73 3HD2 LEU 73 -9.578 -11.402 1.699 576 H GLU 74 H GLU 74 -7.204 -11.177 -3.032 577 HA GLU 74 HA GLU 74 -6.688 -13.905 -3.709 578 HB2 GLU 74 2HB GLU 74 -9.138 -14.088 -3.067 579 HB3 GLU 74 1HB GLU 74 -9.502 -12.979 -4.388 580 HG2 GLU 74 2HG GLU 74 -8.445 -14.561 -5.982 581 HG3 GLU 74 1HG GLU 74 -8.144 -15.679 -4.653 582 H TRP 75 H TRP 75 -6.528 -14.130 -6.108 583 HA TRP 75 HA TRP 75 -6.076 -11.474 -7.351 584 HB2 TRP 75 2HB TRP 75 -5.102 -14.236 -8.120 585 HB3 TRP 75 1HB TRP 75 -4.726 -12.758 -9.011 586 HD1 TRP 75 HD TRP 75 -4.379 -14.135 -5.411 587 HE1 TRP 75 1HE TRP 75 -2.209 -13.182 -4.396 588 HE3 TRP 75 3HE TRP 75 -2.863 -11.120 -9.243 589 HZ2 TRP 75 2HZ TRP 75 -0.107 -11.382 -5.116 590 HZ3 TRP 75 3HZ TRP 75 -0.774 -9.801 -9.054 591 HH2 TRP 75 HH TRP 75 0.605 -9.927 -6.997 592 H ASP 76 H ASP 76 -7.376 -10.782 -9.011 593 HA ASP 76 HA ASP 76 -9.495 -12.619 -9.932 594 HB2 ASP 76 2HB ASP 76 -9.582 -9.972 -9.288 595 HB3 ASP 76 1HB ASP 76 -9.406 -9.886 -11.042 596 HA PRO 77 HA PRO 77 -7.123 -14.002 -13.463 597 HB2 PRO 77 2HB PRO 77 -9.778 -13.721 -14.815 598 HB3 PRO 77 1HB PRO 77 -8.609 -15.043 -14.888 599 HG2 PRO 77 2HG PRO 77 -10.806 -15.129 -13.335 600 HG3 PRO 77 1HG PRO 77 -9.292 -15.947 -12.921 601 HD2 PRO 77 2HD PRO 77 -10.541 -13.617 -11.640 602 HD3 PRO 77 1HD PRO 77 -9.239 -14.661 -11.031 603 HA PRO 78 HA PRO 78 -8.069 -10.258 -16.455 604 HB2 PRO 78 2HB PRO 78 -9.263 -8.132 -15.062 605 HB3 PRO 78 1HB PRO 78 -10.092 -9.186 -16.219 606 HG2 PRO 78 2HG PRO 78 -10.035 -9.314 -13.246 607 HG3 PRO 78 1HG PRO 78 -11.377 -9.610 -14.365 608 HD2 PRO 78 2HD PRO 78 -10.113 -11.663 -13.223 609 HD3 PRO 78 1HD PRO 78 -10.625 -11.743 -14.922 610 H HIS 79 H HIS 79 -7.645 -7.516 -15.335 611 HA HIS 79 HA HIS 79 -5.063 -8.050 -13.965 612 HB2 HIS 79 2HB HIS 79 -4.918 -5.466 -14.713 613 HB3 HIS 79 1HB HIS 79 -4.498 -6.777 -15.810 614 HD1 HIS 79 1HD HIS 79 -7.912 -5.427 -14.741 615 HD2 HIS 79 2HD HIS 79 -5.755 -6.243 -18.217 616 HE1 HIS 79 1HE HIS 79 -9.478 -4.974 -16.675 617 HE2 HIS 79 2HE HIS 79 -8.178 -5.471 -18.798 618 H ARG 80 H ARG 80 -7.259 -8.415 -12.460 619 HA ARG 80 HA ARG 80 -7.366 -5.922 -10.800 620 HB2 ARG 80 2HB ARG 80 -9.452 -5.920 -11.954 621 HB3 ARG 80 1HB ARG 80 -9.658 -7.657 -11.730 622 HG2 ARG 80 2HG ARG 80 -10.040 -7.401 -9.380 623 HG3 ARG 80 1HG ARG 80 -9.527 -5.714 -9.415 624 HD2 ARG 80 2HD ARG 80 -11.914 -5.664 -9.381 625 HD3 ARG 80 1HD ARG 80 -11.458 -5.313 -11.046 626 HE ARG 80 HE ARG 80 -11.807 -8.121 -10.825 627 HH11 ARG 80 1HH1 ARG 80 -13.747 -9.044 -11.525 628 HH12 ARG 80 2HH1 ARG 80 -15.163 -8.055 -11.660 629 HH21 ARG 80 1HH2 ARG 80 -13.567 -5.164 -10.602 630 HH22 ARG 80 2HH2 ARG 80 -15.060 -5.859 -11.136 631 H LEU 81 H LEU 81 -7.327 -6.257 -8.603 632 HA LEU 81 HA LEU 81 -7.718 -8.979 -7.550 633 HB2 LEU 81 2HB LEU 81 -5.398 -8.457 -6.272 634 HB3 LEU 81 1HB LEU 81 -5.477 -9.366 -7.772 635 HG LEU 81 HG LEU 81 -5.104 -7.255 -9.046 636 HD11 LEU 81 1HD1 LEU 81 -5.159 -6.204 -6.258 637 HD12 LEU 81 2HD1 LEU 81 -5.762 -5.470 -7.740 638 HD13 LEU 81 3HD1 LEU 81 -4.034 -5.463 -7.391 639 HD21 LEU 81 1HD2 LEU 81 -2.756 -7.202 -8.646 640 HD22 LEU 81 2HD2 LEU 81 -3.269 -8.842 -8.256 641 HD23 LEU 81 3HD2 LEU 81 -2.962 -7.686 -6.963 642 H ALA 82 H ALA 82 -8.317 -8.963 -5.387 643 HA ALA 82 HA ALA 82 -8.672 -6.258 -4.160 644 HB1 ALA 82 1HB ALA 82 -9.991 -8.831 -3.255 645 HB2 ALA 82 2HB ALA 82 -10.684 -7.841 -4.539 646 HB3 ALA 82 3HB ALA 82 -10.494 -7.175 -2.917 647 H MET 83 H MET 83 -8.019 -6.072 -1.835 648 HA MET 83 HA MET 83 -6.322 -8.335 -0.949 649 HB2 MET 83 2HB MET 83 -4.772 -6.225 -0.196 650 HB3 MET 83 1HB MET 83 -4.518 -7.170 -1.663 651 HG2 MET 83 2HG MET 83 -6.421 -4.837 -1.658 652 HG3 MET 83 1HG MET 83 -4.690 -4.584 -1.887 653 HE1 MET 83 1HE MET 83 -3.769 -7.111 -4.359 654 HE2 MET 83 2HE MET 83 -3.334 -5.908 -3.149 655 HE3 MET 83 3HE MET 83 -3.559 -5.417 -4.825 656 H THR 84 H THR 84 -5.982 -8.537 1.277 657 HA THR 84 HA THR 84 -7.767 -6.815 2.955 658 HB THR 84 HB THR 84 -6.660 -9.608 3.291 659 HG1 THR 84 1HG THR 84 -8.941 -8.590 2.569 660 HG21 THR 84 1HG2 THR 84 -7.641 -7.708 5.424 661 HG22 THR 84 2HG2 THR 84 -6.149 -8.647 5.406 662 HG23 THR 84 3HG2 THR 84 -7.698 -9.459 5.630 663 H TRP 85 H TRP 85 -6.804 -5.850 4.879 664 HA TRP 85 HA TRP 85 -3.845 -5.564 4.608 665 HB2 TRP 85 2HB TRP 85 -5.561 -3.584 4.560 666 HB3 TRP 85 1HB TRP 85 -5.569 -3.790 6.313 667 HD1 TRP 85 HD TRP 85 -3.706 -2.626 7.592 668 HE1 TRP 85 1HE TRP 85 -1.460 -1.519 6.974 669 HE3 TRP 85 3HE TRP 85 -3.469 -3.825 2.636 670 HZ2 TRP 85 2HZ TRP 85 0.213 -1.187 4.678 671 HZ3 TRP 85 3HZ TRP 85 -1.542 -3.101 1.257 672 HH2 TRP 85 HH TRP 85 0.299 -1.785 2.270 673 H ARG 86 H ARG 86 -2.577 -6.566 6.113 674 HA ARG 86 HA ARG 86 -3.842 -7.291 8.731 675 HB2 ARG 86 2HB ARG 86 -3.019 -9.211 7.395 676 HB3 ARG 86 1HB ARG 86 -1.408 -8.498 7.380 677 HG2 ARG 86 2HG ARG 86 -1.364 -8.591 9.858 678 HG3 ARG 86 1HG ARG 86 -2.955 -9.355 9.844 679 HD2 ARG 86 2HD ARG 86 -2.011 -11.204 8.458 680 HD3 ARG 86 1HD ARG 86 -0.417 -10.464 8.610 681 HE ARG 86 HE ARG 86 -1.744 -11.006 11.169 682 HH11 ARG 86 1HH1 ARG 86 -0.693 -12.527 12.471 683 HH12 ARG 86 2HH1 ARG 86 0.562 -13.509 11.791 684 HH21 ARG 86 1HH2 ARG 86 0.321 -12.097 8.634 685 HH22 ARG 86 2HH2 ARG 86 1.136 -13.265 9.620 686 H ILE 87 H ILE 87 -3.375 -5.318 9.821 687 HA ILE 87 HA ILE 87 -0.507 -5.005 10.513 688 HB ILE 87 HB ILE 87 -1.241 -3.380 8.638 689 HG12 ILE 87 2HG1 ILE 87 -0.272 -2.017 11.156 690 HG13 ILE 87 1HG1 ILE 87 0.749 -3.162 10.286 691 HG21 ILE 87 1HG2 ILE 87 -3.446 -2.926 9.871 692 HG22 ILE 87 2HG2 ILE 87 -2.586 -1.517 9.250 693 HG23 ILE 87 3HG2 ILE 87 -2.497 -1.919 10.964 694 HD11 ILE 87 1HD1 ILE 87 -0.584 -0.842 8.888 695 HD12 ILE 87 2HD1 ILE 87 0.767 -1.825 8.324 696 HD13 ILE 87 3HD1 ILE 87 0.998 -0.686 9.649 697 H ASP 88 H ASP 88 -0.201 -3.834 12.541 698 HA ASP 88 HA ASP 88 -2.651 -3.886 14.251 699 HB2 ASP 88 2HB ASP 88 -0.881 -5.485 14.917 700 HB3 ASP 88 1HB ASP 88 0.233 -4.137 15.110 701 H GLY 89 H GLY 89 -2.310 -2.341 16.212 702 HA2 GLY 89 2HA GLY 89 -2.296 0.327 15.234 703 HA3 GLY 89 1HA GLY 89 -2.193 -0.115 16.939 704 H HIS 90 H HIS 90 0.311 -1.611 16.668 705 HA HIS 90 HA HIS 90 2.139 0.724 16.299 706 HB2 HIS 90 2HB HIS 90 1.782 -0.962 18.495 707 HB3 HIS 90 1HB HIS 90 3.286 -1.515 17.760 708 HD1 HIS 90 1HD HIS 90 2.584 0.501 20.388 709 HD2 HIS 90 2HD HIS 90 4.538 1.352 16.802 710 HE1 HIS 90 1HE HIS 90 4.002 2.559 20.816 711 HE2 HIS 90 2HE HIS 90 5.195 3.086 18.640 712 H TRP 91 H TRP 91 1.420 -0.786 14.013 713 HA TRP 91 HA TRP 91 2.402 -1.917 12.212 714 HB2 TRP 91 2HB TRP 91 4.812 -0.794 13.644 715 HB3 TRP 91 1HB TRP 91 4.957 -1.699 12.140 716 HD1 TRP 91 HD TRP 91 3.231 -0.741 10.119 717 HE1 TRP 91 1HE TRP 91 2.845 1.718 9.457 718 HE3 TRP 91 3HE TRP 91 4.821 1.586 14.365 719 HZ2 TRP 91 2HZ TRP 91 3.181 4.323 10.585 720 HZ3 TRP 91 3HZ TRP 91 4.787 4.051 14.551 721 HH2 TRP 91 HH TRP 91 3.965 5.428 12.661 722 H GLN 92 H GLN 92 1.768 -3.516 14.576 723 HA GLN 92 HA GLN 92 3.962 -5.544 14.480 724 HB2 GLN 92 2HB GLN 92 1.680 -5.254 16.461 725 HB3 GLN 92 1HB GLN 92 2.950 -6.475 16.529 726 HG2 GLN 92 2HG GLN 92 4.655 -4.704 16.735 727 HG3 GLN 92 1HG GLN 92 3.387 -3.481 16.652 728 HE21 GLN 92 1HE2 GLN 92 5.071 -3.672 18.951 729 HE22 GLN 92 2HE2 GLN 92 4.133 -4.196 20.265 730 H SER 93 H SER 93 3.378 -7.752 14.074 731 HA SER 93 HA SER 93 0.907 -7.997 12.447 732 HB2 SER 93 2HB SER 93 3.081 -8.694 11.448 733 HB3 SER 93 1HB SER 93 3.250 -9.906 12.718 734 HG SER 93 HG SER 93 0.817 -10.065 11.584 735 H VAL 94 H VAL 94 -0.718 -9.430 12.983 736 HA VAL 94 HA VAL 94 -0.329 -11.177 15.365 737 HB VAL 94 HB VAL 94 -2.882 -10.371 15.769 738 HG11 VAL 94 1HG1 VAL 94 -1.193 -10.363 17.501 739 HG12 VAL 94 2HG1 VAL 94 -1.906 -8.752 17.444 740 HG13 VAL 94 3HG1 VAL 94 -0.327 -9.043 16.717 741 HG21 VAL 94 1HG2 VAL 94 -3.268 -8.144 15.183 742 HG22 VAL 94 2HG2 VAL 94 -2.377 -8.721 13.775 743 HG23 VAL 94 3HG2 VAL 94 -1.549 -7.784 15.018 744 HA PRO 95 HA PRO 95 -2.336 -14.357 13.092 745 HB2 PRO 95 2HB PRO 95 -4.404 -14.999 14.932 746 HB3 PRO 95 1HB PRO 95 -2.813 -15.768 14.804 747 HG2 PRO 95 2HG PRO 95 -3.769 -13.716 16.691 748 HG3 PRO 95 1HG PRO 95 -2.499 -14.935 16.885 749 HD2 PRO 95 2HD PRO 95 -1.938 -12.297 16.539 750 HD3 PRO 95 1HD PRO 95 -0.867 -13.583 15.938 751 H ASP 96 H ASP 96 -4.414 -11.892 14.530 752 HA ASP 96 HA ASP 96 -5.919 -11.710 12.015 753 HB2 ASP 96 2HB ASP 96 -7.038 -13.471 13.590 754 HB3 ASP 96 1HB ASP 96 -7.534 -12.053 14.515 755 H ASP 97 H ASP 97 -6.928 -9.665 11.816 756 HA ASP 97 HA ASP 97 -6.146 -7.719 13.928 757 HB2 ASP 97 2HB ASP 97 -6.686 -7.422 10.972 758 HB3 ASP 97 1HB ASP 97 -6.552 -6.041 12.060 759 H ASP 98 H ASP 98 -7.784 -7.073 15.223 760 HA ASP 98 HA ASP 98 -10.560 -7.560 14.599 761 HB2 ASP 98 2HB ASP 98 -9.240 -5.826 16.697 762 HB3 ASP 98 1HB ASP 98 -10.970 -6.152 16.629 763 H ARG 99 H ARG 99 -8.318 -4.972 14.080 764 HA ARG 99 HA ARG 99 -10.476 -3.138 13.195 765 HB2 ARG 99 2HB ARG 99 -8.302 -1.616 12.974 766 HB3 ARG 99 1HB ARG 99 -9.070 -1.876 14.542 767 HG2 ARG 99 2HG ARG 99 -7.494 -3.608 15.111 768 HG3 ARG 99 1HG ARG 99 -6.830 -3.617 13.478 769 HD2 ARG 99 2HD ARG 99 -5.320 -2.369 14.907 770 HD3 ARG 99 1HD ARG 99 -6.118 -1.234 13.820 771 HE ARG 99 HE ARG 99 -7.748 -1.176 16.025 772 HH11 ARG 99 1HH1 ARG 99 -7.410 0.156 17.820 773 HH12 ARG 99 2HH1 ARG 99 -5.807 0.692 18.196 774 HH21 ARG 99 1HH2 ARG 99 -4.344 -0.961 15.521 775 HH22 ARG 99 2HH2 ARG 99 -4.070 0.060 16.893 776 H ALA 100 H ALA 100 -9.777 -5.465 11.592 777 HA ALA 100 HA ALA 100 -8.099 -4.442 9.404 778 HB1 ALA 100 1HB ALA 100 -9.435 -6.817 8.612 779 HB2 ALA 100 2HB ALA 100 -8.985 -7.020 10.305 780 HB3 ALA 100 3HB ALA 100 -7.751 -6.640 9.105 781 H SER 101 H SER 101 -8.847 -4.035 7.293 782 HA SER 101 HA SER 101 -11.806 -3.804 6.953 783 HB2 SER 101 2HB SER 101 -11.533 -1.640 5.896 784 HB3 SER 101 1HB SER 101 -10.740 -1.579 7.467 785 HG SER 101 HG SER 101 -9.112 -2.491 5.475 786 H GLU 102 H GLU 102 -12.293 -3.480 4.494 787 HA GLU 102 HA GLU 102 -10.495 -5.336 2.994 788 HB2 GLU 102 2HB GLU 102 -13.400 -4.625 2.505 789 HB3 GLU 102 1HB GLU 102 -12.457 -5.787 1.570 790 HG2 GLU 102 2HG GLU 102 -12.084 -7.112 3.642 791 HG3 GLU 102 1HG GLU 102 -13.106 -5.978 4.526 792 H ILE 103 H ILE 103 -9.620 -4.703 1.052 793 HA ILE 103 HA ILE 103 -10.321 -1.969 0.060 794 HB ILE 103 HB ILE 103 -7.575 -3.258 0.085 795 HG12 ILE 103 2HG1 ILE 103 -8.620 -0.917 1.710 796 HG13 ILE 103 1HG1 ILE 103 -8.451 -2.559 2.339 797 HG21 ILE 103 1HG2 ILE 103 -6.992 -1.647 -1.376 798 HG22 ILE 103 2HG2 ILE 103 -7.615 -0.406 -0.288 799 HG23 ILE 103 3HG2 ILE 103 -8.683 -1.156 -1.474 800 HD11 ILE 103 1HD1 ILE 103 -5.984 -2.028 1.140 801 HD12 ILE 103 2HD1 ILE 103 -6.325 -2.016 2.871 802 HD13 ILE 103 3HD1 ILE 103 -6.409 -0.518 1.943 803 H GLU 104 H GLU 104 -10.659 -1.843 -2.140 804 HA GLU 104 HA GLU 104 -10.131 -4.331 -3.727 805 HB2 GLU 104 2HB GLU 104 -12.377 -2.317 -4.055 806 HB3 GLU 104 1HB GLU 104 -12.105 -3.724 -5.085 807 HG2 GLU 104 2HG GLU 104 -12.351 -5.198 -3.096 808 HG3 GLU 104 1HG GLU 104 -12.709 -3.777 -2.114 809 H VAL 105 H VAL 105 -8.738 -4.032 -5.400 810 HA VAL 105 HA VAL 105 -8.493 -1.292 -6.546 811 HB VAL 105 HB VAL 105 -6.166 -3.171 -6.074 812 HG11 VAL 105 1HG1 VAL 105 -5.996 -1.506 -7.944 813 HG12 VAL 105 2HG1 VAL 105 -4.817 -1.236 -6.660 814 HG13 VAL 105 3HG1 VAL 105 -6.254 -0.220 -6.765 815 HG21 VAL 105 1HG2 VAL 105 -5.710 -1.061 -4.432 816 HG22 VAL 105 2HG2 VAL 105 -6.500 -2.543 -3.895 817 HG23 VAL 105 3HG2 VAL 105 -7.470 -1.139 -4.342 818 H ASP 106 H ASP 106 -8.522 -1.268 -8.774 819 HA ASP 106 HA ASP 106 -8.363 -3.927 -10.147 820 HB2 ASP 106 2HB ASP 106 -9.937 -1.466 -10.964 821 HB3 ASP 106 1HB ASP 106 -9.902 -3.004 -11.831 822 H PHE 107 H PHE 107 -6.830 -4.110 -11.734 823 HA PHE 107 HA PHE 107 -5.449 -1.603 -12.571 824 HB2 PHE 107 2HB PHE 107 -4.403 -4.439 -12.355 825 HB3 PHE 107 1HB PHE 107 -3.520 -3.115 -13.089 826 HD1 PHE 107 1HD PHE 107 -2.088 -1.846 -11.762 827 HD2 PHE 107 2HD PHE 107 -5.353 -3.944 -9.922 828 HE1 PHE 107 1HE PHE 107 -1.267 -1.158 -9.525 829 HE2 PHE 107 2HE PHE 107 -4.531 -3.256 -7.684 830 HZ PHE 107 HZ PHE 107 -2.483 -1.869 -7.484 831 H VAL 108 H VAL 108 -5.252 -1.191 -14.719 832 HA VAL 108 HA VAL 108 -6.182 -3.234 -16.674 833 HB VAL 108 HB VAL 108 -6.884 -0.380 -17.161 834 HG11 VAL 108 1HG1 VAL 108 -8.674 -1.342 -18.403 835 HG12 VAL 108 2HG1 VAL 108 -8.509 -2.892 -17.579 836 HG13 VAL 108 3HG1 VAL 108 -7.278 -2.370 -18.728 837 HG21 VAL 108 1HG2 VAL 108 -9.038 -0.742 -15.904 838 HG22 VAL 108 2HG2 VAL 108 -7.619 -0.623 -14.863 839 HG23 VAL 108 3HG2 VAL 108 -8.327 -2.200 -15.213 840 HA PRO 109 HA PRO 109 -2.270 -1.628 -18.299 841 HB2 PRO 109 2HB PRO 109 -1.938 -3.386 -20.331 842 HB3 PRO 109 1HB PRO 109 -1.676 -3.839 -18.635 843 HG2 PRO 109 2HG PRO 109 -4.001 -4.384 -20.399 844 HG3 PRO 109 1HG PRO 109 -3.235 -5.422 -19.186 845 HD2 PRO 109 2HD PRO 109 -5.563 -3.993 -18.749 846 HD3 PRO 109 1HD PRO 109 -4.461 -4.525 -17.457 847 H ASN 110 H ASN 110 -2.219 0.187 -19.512 848 HA ASN 110 HA ASN 110 -3.842 0.263 -22.001 849 HB2 ASN 110 2HB ASN 110 -4.524 1.873 -20.184 850 HB3 ASN 110 1HB ASN 110 -2.948 2.635 -20.373 851 HD21 ASN 110 1HD2 ASN 110 -4.939 4.355 -20.935 852 HD22 ASN 110 2HD2 ASN 110 -5.178 4.541 -22.606 853 H GLY 111 H GLY 111 -2.594 0.124 -23.775 854 HA2 GLY 111 2HA GLY 111 -0.708 0.293 -25.160 855 HA3 GLY 111 1HA GLY 111 -0.444 1.846 -24.365 856 H SER 112 H SER 112 1.761 0.394 -25.079 857 HA SER 112 HA SER 112 2.716 -1.398 -23.056 858 HB2 SER 112 2HB SER 112 4.895 -1.085 -24.060 859 HB3 SER 112 1HB SER 112 3.708 -1.114 -25.360 860 HG SER 112 HG SER 112 5.049 0.640 -25.676 861 H GLY 113 H GLY 113 2.259 2.005 -23.115 862 HA2 GLY 113 2HA GLY 113 3.757 2.213 -20.539 863 HA3 GLY 113 1HA GLY 113 3.933 3.458 -21.778 864 H GLY 114 H GLY 114 0.962 1.772 -20.645 865 HA2 GLY 114 2HA GLY 114 0.045 4.336 -19.472 866 HA3 GLY 114 1HA GLY 114 -0.945 3.629 -20.749 867 H THR 115 H THR 115 -1.102 3.946 -17.594 868 HA THR 115 HA THR 115 -2.269 1.231 -17.213 869 HB THR 115 HB THR 115 -1.168 2.217 -14.729 870 HG1 THR 115 1HG THR 115 0.291 2.815 -16.820 871 HG21 THR 115 1HG2 THR 115 0.146 -0.011 -15.015 872 HG22 THR 115 2HG2 THR 115 -0.863 -0.254 -16.435 873 HG23 THR 115 3HG2 THR 115 -1.605 -0.082 -14.846 874 H ARG 116 H ARG 116 -4.250 1.289 -16.290 875 HA ARG 116 HA ARG 116 -5.116 3.853 -15.005 876 HB2 ARG 116 2HB ARG 116 -6.285 3.284 -17.155 877 HB3 ARG 116 1HB ARG 116 -6.885 1.817 -16.373 878 HG2 ARG 116 2HG ARG 116 -8.076 3.080 -14.718 879 HG3 ARG 116 1HG ARG 116 -7.298 4.584 -15.220 880 HD2 ARG 116 2HD ARG 116 -8.366 4.391 -17.426 881 HD3 ARG 116 1HD ARG 116 -9.170 2.913 -16.908 882 HE ARG 116 HE ARG 116 -9.780 5.004 -15.053 883 HH11 ARG 116 1HH1 ARG 116 -11.807 5.994 -15.187 884 HH12 ARG 116 2HH1 ARG 116 -12.726 5.861 -16.650 885 HH21 ARG 116 1HH2 ARG 116 -10.339 3.952 -18.289 886 HH22 ARG 116 2HH2 ARG 116 -11.895 4.705 -18.406 887 H VAL 117 H VAL 117 -5.269 3.550 -12.827 888 HA VAL 117 HA VAL 117 -6.157 0.860 -11.858 889 HB VAL 117 HB VAL 117 -4.157 2.722 -10.555 890 HG11 VAL 117 1HG1 VAL 117 -5.476 1.465 -8.916 891 HG12 VAL 117 2HG1 VAL 117 -3.843 0.801 -8.997 892 HG13 VAL 117 3HG1 VAL 117 -5.175 -0.034 -9.797 893 HG21 VAL 117 1HG2 VAL 117 -3.940 0.424 -12.419 894 HG22 VAL 117 2HG2 VAL 117 -2.858 0.376 -11.027 895 HG23 VAL 117 3HG2 VAL 117 -2.811 1.750 -12.133 896 H GLU 118 H GLU 118 -7.699 0.819 -10.298 897 HA GLU 118 HA GLU 118 -8.663 3.455 -9.257 898 HB2 GLU 118 2HB GLU 118 -10.271 0.937 -9.819 899 HB3 GLU 118 1HB GLU 118 -10.917 2.438 -9.152 900 HG2 GLU 118 2HG GLU 118 -10.198 3.634 -11.209 901 HG3 GLU 118 1HG GLU 118 -9.638 2.102 -11.880 902 H LEU 119 H LEU 119 -7.750 3.481 -7.215 903 HA LEU 119 HA LEU 119 -7.868 0.981 -5.608 904 HB2 LEU 119 2HB LEU 119 -5.675 2.195 -5.901 905 HB3 LEU 119 1HB LEU 119 -6.372 3.543 -5.008 906 HG LEU 119 HG LEU 119 -6.650 0.899 -3.700 907 HD11 LEU 119 1HD1 LEU 119 -3.955 2.281 -3.883 908 HD12 LEU 119 2HD1 LEU 119 -4.362 0.770 -4.696 909 HD13 LEU 119 3HD1 LEU 119 -4.330 0.843 -2.934 910 HD21 LEU 119 1HD2 LEU 119 -6.404 2.187 -1.745 911 HD22 LEU 119 2HD2 LEU 119 -7.195 3.313 -2.847 912 HD23 LEU 119 3HD2 LEU 119 -5.458 3.426 -2.569 913 H ALA 120 H ALA 120 -9.383 0.827 -4.027 914 HA ALA 120 HA ALA 120 -10.453 3.361 -2.864 915 HB1 ALA 120 1HB ALA 120 -12.335 1.081 -3.130 916 HB2 ALA 120 2HB ALA 120 -11.904 1.908 -4.627 917 HB3 ALA 120 3HB ALA 120 -12.630 2.812 -3.298 918 H HIS 121 H HIS 121 -9.927 3.312 -0.741 919 HA HIS 121 HA HIS 121 -9.951 0.675 0.671 920 HB2 HIS 121 2HB HIS 121 -8.234 1.425 2.010 921 HB3 HIS 121 1HB HIS 121 -7.909 2.441 0.607 922 HD1 HIS 121 1HD HIS 121 -9.444 2.546 4.047 923 HD2 HIS 121 2HD HIS 121 -8.426 5.192 0.990 924 HE1 HIS 121 1HE HIS 121 -9.651 4.882 5.023 925 HE2 HIS 121 2HE HIS 121 -9.047 6.498 3.162 926 H VAL 122 H VAL 122 -11.619 0.366 2.106 927 HA VAL 122 HA VAL 122 -13.056 2.800 3.072 928 HB VAL 122 HB VAL 122 -15.190 1.601 2.696 929 HG11 VAL 122 1HG1 VAL 122 -13.552 2.846 0.839 930 HG12 VAL 122 2HG1 VAL 122 -15.261 2.467 0.612 931 HG13 VAL 122 3HG1 VAL 122 -14.024 1.354 0.026 932 HG21 VAL 122 1HG2 VAL 122 -13.918 -0.388 0.910 933 HG22 VAL 122 2HG2 VAL 122 -15.285 -0.583 2.004 934 HG23 VAL 122 3HG2 VAL 122 -13.636 -0.674 2.625 935 H LYS 123 H LYS 123 -14.486 2.381 4.925 936 HA LYS 123 HA LYS 123 -14.729 1.765 7.164 937 HB2 LYS 123 2HB LYS 123 -14.154 -0.931 5.906 938 HB3 LYS 123 1HB LYS 123 -14.641 -0.728 7.586 939 HG2 LYS 123 2HG LYS 123 -16.721 -1.034 6.635 940 HG3 LYS 123 1HG LYS 123 -16.592 0.716 6.462 941 HD2 LYS 123 2HD LYS 123 -15.346 -0.010 4.208 942 HD3 LYS 123 1HD LYS 123 -16.392 -1.412 4.391 943 HE2 LYS 123 2HE LYS 123 -17.187 1.487 4.120 944 HE3 LYS 123 1HE LYS 123 -17.684 0.120 3.122 945 HZ1 LYS 123 1HZ LYS 123 -18.698 1.007 5.689 946 HZ2 LYS 123 2HZ LYS 123 -18.507 -0.674 5.529 947 HZ3 LYS 123 3HZ LYS 123 -19.487 0.181 4.435 948 H LEU 124 H LEU 124 -12.022 2.544 6.214 949 HA LEU 124 HA LEU 124 -10.134 0.887 7.677 950 HB2 LEU 124 2HB LEU 124 -9.822 2.705 5.723 951 HB3 LEU 124 1HB LEU 124 -9.516 3.733 7.119 952 HG LEU 124 HG LEU 124 -8.008 1.680 7.870 953 HD11 LEU 124 1HD1 LEU 124 -8.844 0.544 5.641 954 HD12 LEU 124 2HD1 LEU 124 -7.166 0.355 6.149 955 HD13 LEU 124 3HD1 LEU 124 -7.583 1.531 4.902 956 HD21 LEU 124 1HD2 LEU 124 -6.094 2.826 6.838 957 HD22 LEU 124 2HD2 LEU 124 -7.252 4.003 7.453 958 HD23 LEU 124 3HD2 LEU 124 -7.180 3.658 5.727 959 H HIS 125 H HIS 125 -11.917 3.877 8.237 960 HA HIS 125 HA HIS 125 -10.868 4.818 10.623 961 HB2 HIS 125 2HB HIS 125 -12.635 6.096 9.797 962 HB3 HIS 125 1HB HIS 125 -13.671 4.687 9.574 963 HD1 HIS 125 1HD HIS 125 -11.835 6.021 12.652 964 HD2 HIS 125 2HD HIS 125 -15.672 4.895 11.462 965 HE1 HIS 125 1HE HIS 125 -13.313 6.234 14.700 966 HE2 HIS 125 2HE HIS 125 -15.650 5.555 13.985 967 H ARG 126 H ARG 126 -12.167 1.750 10.091 968 HA ARG 126 HA ARG 126 -13.421 1.078 12.497 969 HB2 ARG 126 2HB ARG 126 -13.149 -0.465 10.571 970 HB3 ARG 126 1HB ARG 126 -11.443 -0.631 10.979 971 HG2 ARG 126 2HG ARG 126 -12.073 -1.493 13.216 972 HG3 ARG 126 1HG ARG 126 -13.775 -1.375 12.765 973 HD2 ARG 126 2HD ARG 126 -11.715 -3.034 11.283 974 HD3 ARG 126 1HD ARG 126 -12.862 -3.676 12.459 975 HE ARG 126 HE ARG 126 -14.072 -2.184 10.234 976 HH11 ARG 126 1HH1 ARG 126 -15.442 -3.414 8.923 977 HH12 ARG 126 2HH1 ARG 126 -15.441 -5.140 9.072 978 HH21 ARG 126 1HH2 ARG 126 -13.033 -5.190 11.567 979 HH22 ARG 126 2HH2 ARG 126 -14.078 -6.144 10.568 980 H HIS 127 H HIS 127 -9.975 1.597 11.868 981 HA HIS 127 HA HIS 127 -9.188 0.565 14.480 982 HB2 HIS 127 2HB HIS 127 -7.037 1.980 13.865 983 HB3 HIS 127 1HB HIS 127 -7.371 0.452 13.064 984 HD1 HIS 127 1HD HIS 127 -9.138 3.707 12.275 985 HD2 HIS 127 2HD HIS 127 -6.335 1.137 10.562 986 HE1 HIS 127 1HE HIS 127 -8.747 4.524 9.910 987 HE2 HIS 127 2HE HIS 127 -7.054 2.970 8.859 988 H GLY 128 H GLY 128 -10.395 3.580 13.292 989 HA2 GLY 128 2HA GLY 128 -11.213 5.324 14.713 990 HA3 GLY 128 1HA GLY 128 -10.255 4.657 16.035 991 H ASP 129 H ASP 129 -9.755 7.062 16.233 992 HA ASP 129 HA ASP 129 -8.102 8.374 14.282 993 HB2 ASP 129 2HB ASP 129 -8.454 8.857 17.253 994 HB3 ASP 129 1HB ASP 129 -7.570 9.934 16.172 995 H GLY 130 H GLY 130 -5.826 8.748 14.348 996 HA2 GLY 130 2HA GLY 130 -3.598 8.380 15.221 997 HA3 GLY 130 1HA GLY 130 -4.234 7.051 16.201 998 H ALA 131 H ALA 131 -5.764 6.443 13.503 999 HA ALA 131 HA ALA 131 -4.119 4.264 12.697 1000 HB1 ALA 131 1HB ALA 131 -5.689 4.093 10.799 1001 HB2 ALA 131 2HB ALA 131 -6.349 5.676 11.215 1002 HB3 ALA 131 3HB ALA 131 -6.538 4.324 12.326 1003 H TRP 132 H TRP 132 -4.584 7.530 11.284 1004 HA TRP 132 HA TRP 132 -3.028 7.123 8.965 1005 HB2 TRP 132 2HB TRP 132 -4.321 9.240 9.547 1006 HB3 TRP 132 1HB TRP 132 -2.958 9.688 10.575 1007 HD1 TRP 132 HD TRP 132 -0.589 10.066 9.366 1008 HE1 TRP 132 1HE TRP 132 -0.016 10.762 6.953 1009 HE3 TRP 132 3HE TRP 132 -5.077 9.118 7.061 1010 HZ2 TRP 132 2HZ TRP 132 -1.273 10.901 4.401 1011 HZ3 TRP 132 3HZ TRP 132 -5.342 9.550 4.641 1012 HH2 TRP 132 HH TRP 132 -3.452 10.440 3.307 1013 H ASN 133 H ASN 133 -2.076 7.490 12.319 1014 HA ASN 133 HA ASN 133 0.680 8.094 11.973 1015 HB2 ASN 133 2HB ASN 133 -0.656 7.775 14.174 1016 HB3 ASN 133 1HB ASN 133 -0.337 6.054 13.966 1017 HD21 ASN 133 1HD2 ASN 133 0.834 6.917 16.196 1018 HD22 ASN 133 2HD2 ASN 133 2.490 7.233 15.995 1019 H ILE 134 H ILE 134 -1.102 5.030 11.839 1020 HA ILE 134 HA ILE 134 1.116 3.322 11.314 1021 HB ILE 134 HB ILE 134 -1.746 3.132 10.354 1022 HG12 ILE 134 2HG1 ILE 134 -0.362 1.840 12.725 1023 HG13 ILE 134 1HG1 ILE 134 -1.439 3.236 12.834 1024 HG21 ILE 134 1HG2 ILE 134 0.596 1.552 9.803 1025 HG22 ILE 134 2HG2 ILE 134 -1.041 1.369 9.171 1026 HG23 ILE 134 3HG2 ILE 134 -0.588 0.593 10.689 1027 HD11 ILE 134 1HD1 ILE 134 -2.096 0.396 12.501 1028 HD12 ILE 134 2HD1 ILE 134 -2.923 1.439 11.343 1029 HD13 ILE 134 3HD1 ILE 134 -3.106 1.722 13.074 1030 H HIS 135 H HIS 135 -1.007 5.257 9.264 1031 HA HIS 135 HA HIS 135 0.143 4.529 6.739 1032 HB2 HIS 135 2HB HIS 135 -2.047 5.670 6.924 1033 HB3 HIS 135 1HB HIS 135 -1.241 7.107 7.550 1034 HD1 HIS 135 1HD HIS 135 1.062 5.915 5.210 1035 HD2 HIS 135 2HD HIS 135 -2.599 7.869 4.855 1036 HE1 HIS 135 1HE HIS 135 1.035 6.924 2.894 1037 HE2 HIS 135 2HE HIS 135 -1.205 8.113 2.653 1038 H LYS 136 H LYS 136 1.004 6.868 9.225 1039 HA LYS 136 HA LYS 136 2.764 8.519 7.788 1040 HB2 LYS 136 2HB LYS 136 2.167 8.741 10.240 1041 HB3 LYS 136 1HB LYS 136 3.315 7.451 10.558 1042 HG2 LYS 136 2HG LYS 136 5.096 8.776 9.510 1043 HG3 LYS 136 1HG LYS 136 3.953 10.087 9.245 1044 HD2 LYS 136 2HD LYS 136 3.546 10.174 11.707 1045 HD3 LYS 136 1HD LYS 136 4.800 8.951 11.923 1046 HE2 LYS 136 2HE LYS 136 5.659 11.268 12.264 1047 HE3 LYS 136 1HE LYS 136 6.470 10.435 10.938 1048 HZ1 LYS 136 1HZ LYS 136 5.868 12.657 10.276 1049 HZ2 LYS 136 2HZ LYS 136 4.243 12.384 10.689 1050 HZ3 LYS 136 3HZ LYS 136 4.948 11.539 9.395 1051 H ALA 137 H ALA 137 3.214 5.230 9.012 1052 HA ALA 137 HA ALA 137 6.034 5.087 8.337 1053 HB1 ALA 137 1HB ALA 137 3.895 3.052 8.865 1054 HB2 ALA 137 2HB ALA 137 5.385 3.349 9.763 1055 HB3 ALA 137 3HB ALA 137 5.443 2.537 8.201 1056 H LEU 138 H LEU 138 3.024 4.171 6.678 1057 HA LEU 138 HA LEU 138 4.304 3.222 4.285 1058 HB2 LEU 138 2HB LEU 138 1.537 4.433 4.598 1059 HB3 LEU 138 1HB LEU 138 2.091 3.441 3.254 1060 HG LEU 138 HG LEU 138 1.849 2.563 6.144 1061 HD11 LEU 138 1HD1 LEU 138 0.439 1.195 3.914 1062 HD12 LEU 138 2HD1 LEU 138 -0.160 2.796 4.348 1063 HD13 LEU 138 3HD1 LEU 138 -0.105 1.517 5.561 1064 HD21 LEU 138 1HD2 LEU 138 3.645 1.292 5.391 1065 HD22 LEU 138 2HD2 LEU 138 3.110 1.343 3.711 1066 HD23 LEU 138 3HD2 LEU 138 2.299 0.282 4.864 1067 H ASP 139 H ASP 139 3.440 6.363 5.537 1068 HA ASP 139 HA ASP 139 4.025 8.505 4.801 1069 HB2 ASP 139 2HB ASP 139 6.049 6.738 3.795 1070 HB3 ASP 139 1HB ASP 139 5.736 7.988 2.597 1071 H GLY 140 H GLY 140 2.138 9.258 3.904 1072 HA2 GLY 140 2HA GLY 140 1.759 8.774 0.975 1073 HA3 GLY 140 1HA GLY 140 0.408 8.977 2.086 1074 HA PRO 141 HA PRO 141 2.935 13.234 1.584 1075 HB2 PRO 141 2HB PRO 141 3.334 12.851 -1.347 1076 HB3 PRO 141 1HB PRO 141 4.391 13.631 -0.155 1077 HG2 PRO 141 2HG PRO 141 4.942 11.218 -1.122 1078 HG3 PRO 141 1HG PRO 141 5.276 11.643 0.565 1079 HD2 PRO 141 2HD PRO 141 3.098 9.922 -0.545 1080 HD3 PRO 141 1HD PRO 141 3.955 9.798 1.008 1081 H SER 142 H SER 142 1.779 15.101 1.011 1082 HA SER 142 HA SER 142 -0.854 14.607 -0.248 1083 HB2 SER 142 2HB SER 142 -1.519 16.035 1.355 1084 HB3 SER 142 1HB SER 142 0.154 16.322 1.825 1085 HG SER 142 HG SER 142 -1.478 17.992 0.641 1086 HA PRO 143 HA PRO 143 1.172 18.366 -2.757 1087 HB2 PRO 143 2HB PRO 143 3.944 17.270 -2.746 1088 HB3 PRO 143 1HB PRO 143 3.395 18.958 -2.664 1089 HG2 PRO 143 2HG PRO 143 4.342 17.714 -0.515 1090 HG3 PRO 143 1HG PRO 143 2.992 18.857 -0.399 1091 HD2 PRO 143 2HD PRO 143 2.946 15.868 -0.284 1092 HD3 PRO 143 1HD PRO 143 1.935 17.044 0.587 1093 H GLY 144 H GLY 144 2.211 14.999 -2.878 1094 HA2 GLY 144 2HA GLY 144 1.603 15.003 -5.793 1095 HA3 GLY 144 1HA GLY 144 3.061 14.209 -5.194 1096 H GLU 145 H GLU 145 0.012 13.553 -6.172 1097 HA GLU 145 HA GLU 145 -1.111 11.845 -4.239 1098 HB2 GLU 145 2HB GLU 145 -1.090 11.506 -7.245 1099 HB3 GLU 145 1HB GLU 145 -2.183 10.675 -6.141 1100 HG2 GLU 145 2HG GLU 145 -1.978 13.686 -6.447 1101 HG3 GLU 145 1HG GLU 145 -3.242 12.681 -7.157 1102 H THR 146 H THR 146 -0.906 9.549 -3.908 1103 HA THR 146 HA THR 146 1.738 8.546 -3.856 1104 HB THR 146 HB THR 146 -0.886 7.051 -3.909 1105 HG1 THR 146 1HG THR 146 -0.979 7.612 -1.909 1106 HG21 THR 146 1HG2 THR 146 1.948 6.162 -3.531 1107 HG22 THR 146 2HG2 THR 146 0.636 5.377 -4.414 1108 HG23 THR 146 3HG2 THR 146 0.659 5.342 -2.649 1109 H LEU 147 H LEU 147 -0.806 8.215 -6.266 1110 HA LEU 147 HA LEU 147 0.558 6.338 -7.942 1111 HB2 LEU 147 2HB LEU 147 -1.513 8.421 -8.682 1112 HB3 LEU 147 1HB LEU 147 -1.072 7.008 -9.637 1113 HG LEU 147 HG LEU 147 -1.608 5.784 -7.294 1114 HD11 LEU 147 1HD1 LEU 147 -2.397 7.530 -5.953 1115 HD12 LEU 147 2HD1 LEU 147 -3.891 6.882 -6.621 1116 HD13 LEU 147 3HD1 LEU 147 -3.196 8.348 -7.295 1117 HD21 LEU 147 1HD2 LEU 147 -3.457 6.547 -9.554 1118 HD22 LEU 147 2HD2 LEU 147 -3.962 5.448 -8.273 1119 HD23 LEU 147 3HD2 LEU 147 -2.601 5.027 -9.311 1120 H ALA 148 H ALA 148 0.750 9.797 -7.517 1121 HA ALA 148 HA ALA 148 2.006 10.434 -10.027 1122 HB1 ALA 148 1HB ALA 148 1.124 11.834 -7.715 1123 HB2 ALA 148 2HB ALA 148 1.625 12.508 -9.266 1124 HB3 ALA 148 3HB ALA 148 2.814 12.267 -7.983 1125 H ARG 149 H ARG 149 3.438 10.112 -6.752 1126 HA ARG 149 HA ARG 149 6.106 10.534 -7.658 1127 HB2 ARG 149 2HB ARG 149 6.652 9.280 -5.436 1128 HB3 ARG 149 1HB ARG 149 5.839 10.842 -5.367 1129 HG2 ARG 149 2HG ARG 149 3.929 9.939 -4.543 1130 HG3 ARG 149 1HG ARG 149 4.002 8.559 -5.640 1131 HD2 ARG 149 2HD ARG 149 5.557 7.406 -4.232 1132 HD3 ARG 149 1HD ARG 149 5.828 8.841 -3.244 1133 HE ARG 149 HE ARG 149 3.169 8.448 -2.866 1134 HH11 ARG 149 1HH1 ARG 149 2.247 7.014 -1.386 1135 HH12 ARG 149 2HH1 ARG 149 3.128 5.603 -0.901 1136 HH21 ARG 149 1HH2 ARG 149 5.882 6.318 -2.885 1137 HH22 ARG 149 2HH2 ARG 149 5.186 5.209 -1.749 1138 H PHE 150 H PHE 150 4.454 7.438 -6.908 1139 HA PHE 150 HA PHE 150 6.723 5.843 -7.633 1140 HB2 PHE 150 2HB PHE 150 5.453 4.120 -6.923 1141 HB3 PHE 150 1HB PHE 150 4.283 5.355 -6.453 1142 HD1 PHE 150 1HD PHE 150 2.726 6.208 -8.365 1143 HD2 PHE 150 2HD PHE 150 4.788 2.454 -8.412 1144 HE1 PHE 150 1HE PHE 150 1.081 5.333 -10.002 1145 HE2 PHE 150 2HE PHE 150 3.157 1.574 -10.060 1146 HZ PHE 150 HZ PHE 150 1.306 3.013 -10.851 1147 H ALA 151 H ALA 151 3.950 7.044 -9.472 1148 HA ALA 151 HA ALA 151 4.420 5.496 -11.839 1149 HB1 ALA 151 1HB ALA 151 2.323 6.674 -11.557 1150 HB2 ALA 151 2HB ALA 151 3.137 7.338 -12.974 1151 HB3 ALA 151 3HB ALA 151 3.160 8.223 -11.451 1152 H ASN 152 H ASN 152 5.660 8.597 -10.708 1153 HA ASN 152 HA ASN 152 6.976 9.428 -13.081 1154 HB2 ASN 152 2HB ASN 152 7.687 9.910 -10.191 1155 HB3 ASN 152 1HB ASN 152 8.397 10.775 -11.548 1156 HD21 ASN 152 1HD2 ASN 152 6.827 12.062 -9.476 1157 HD22 ASN 152 2HD2 ASN 152 5.417 12.674 -10.205 1158 H VAL 153 H VAL 153 8.257 7.554 -10.330 1159 HA VAL 153 HA VAL 153 10.890 7.303 -11.455 1160 HB VAL 153 HB VAL 153 11.119 5.448 -9.769 1161 HG11 VAL 153 1HG1 VAL 153 10.705 7.009 -7.797 1162 HG12 VAL 153 2HG1 VAL 153 10.003 8.143 -8.954 1163 HG13 VAL 153 3HG1 VAL 153 11.701 7.682 -9.088 1164 HG21 VAL 153 1HG2 VAL 153 8.779 4.689 -9.835 1165 HG22 VAL 153 2HG2 VAL 153 8.268 6.238 -9.171 1166 HG23 VAL 153 3HG2 VAL 153 9.243 5.143 -8.196 1167 H ILE 154 H ILE 154 7.986 5.306 -11.693 1168 HA ILE 154 HA ILE 154 9.234 3.041 -12.887 1169 HB ILE 154 HB ILE 154 6.421 4.119 -13.117 1170 HG12 ILE 154 2HG1 ILE 154 7.558 1.794 -11.561 1171 HG13 ILE 154 1HG1 ILE 154 7.240 3.375 -10.868 1172 HG21 ILE 154 1HG2 ILE 154 6.214 1.488 -13.702 1173 HG22 ILE 154 2HG2 ILE 154 7.789 1.838 -14.411 1174 HG23 ILE 154 3HG2 ILE 154 6.368 2.741 -14.930 1175 HD11 ILE 154 1HD1 ILE 154 4.877 3.183 -11.356 1176 HD12 ILE 154 2HD1 ILE 154 5.385 1.730 -10.494 1177 HD13 ILE 154 3HD1 ILE 154 5.141 1.680 -12.239 1178 HBB 96F 201 HBB SUM 155 -1.489 12.186 -0.410 1179 HBC 96F 201 HBC SUM 155 -2.649 11.934 -1.736 1180 HBA 96F 201 HBA SUM 155 -0.901 11.942 -2.073 1181 HA2 96F 201 2HA SUM 155 -1.299 9.957 -0.084 1182 HA1 96F 201 1HA SUM 155 -0.899 9.702 -1.797 1183 HAY 96F 201 HAY SUM 155 -4.569 10.851 -0.646 1184 HAZ 96F 201 HAZ SUM 155 -3.389 10.386 0.604 1185 HA0 96F 201 0HA SUM 155 -4.606 9.213 0.051 1186 HBE 96F 201 HBE SUM 155 -4.285 10.542 -2.509 1187 H1 96F 201 HAV SUM 155 -3.764 7.768 -3.354 1188 HAS 96F 201 HAS SUM 155 -6.078 5.593 -5.062 1189 HAT 96F 201 HAT SUM 155 -5.089 6.849 -4.278 1190 HAU 96F 201 HAU SUM 155 -5.652 5.446 -3.340 1191 HAK 96F 201 HAK SUM 155 -4.933 4.413 -6.546 1192 HAF 96F 201 HAF SUM 155 -2.363 2.000 -9.826 1193 HAE 96F 201 HAE SUM 155 -0.290 0.812 -10.477 1194 HAD 96F 201 HAD SUM 155 1.648 0.757 -8.922 1195 HAR 96F 201 HAR SUM 155 2.225 2.827 -6.703 1196 HAQ 96F 201 HAQ SUM 155 -1.098 2.986 -3.200 Start of MODEL 17 1 H MET 1 1HT MET 1 -3.765 14.829 5.075 2 HA MET 1 HA MET 1 -4.091 12.833 6.090 3 HB2 MET 1 2HB MET 1 -2.127 12.640 7.865 4 HB3 MET 1 1HB MET 1 -1.770 12.854 6.151 5 HG2 MET 1 2HG MET 1 -1.352 15.181 6.420 6 HG3 MET 1 1HG MET 1 -2.085 15.203 8.025 7 HE1 MET 1 1HE MET 1 0.027 15.686 9.997 8 HE2 MET 1 2HE MET 1 -0.315 16.575 8.516 9 HE3 MET 1 3HE MET 1 1.346 16.141 8.910 10 HA PRO 2 HA PRO 2 -6.510 14.450 9.767 11 HB2 PRO 2 2HB PRO 2 -8.499 12.545 8.698 12 HB3 PRO 2 1HB PRO 2 -8.697 14.250 9.145 13 HG2 PRO 2 2HG PRO 2 -8.687 13.409 6.590 14 HG3 PRO 2 1HG PRO 2 -8.089 15.002 7.082 15 HD2 PRO 2 2HD PRO 2 -6.541 12.569 6.296 16 HD3 PRO 2 1HD PRO 2 -6.148 14.288 6.053 17 H GLU 3 H GLU 3 -6.841 13.335 11.719 18 HA GLU 3 HA GLU 3 -5.394 10.907 12.139 19 HB2 GLU 3 2HB GLU 3 -7.530 12.248 13.825 20 HB3 GLU 3 1HB GLU 3 -6.493 10.935 14.377 21 HG2 GLU 3 2HG GLU 3 -4.497 12.335 13.901 22 HG3 GLU 3 1HG GLU 3 -5.563 13.658 13.426 23 H GLU 4 H GLU 4 -8.730 11.571 11.300 24 HA GLU 4 HA GLU 4 -9.480 8.733 11.727 25 HB2 GLU 4 2HB GLU 4 -11.009 10.583 12.447 26 HB3 GLU 4 1HB GLU 4 -11.178 11.030 10.751 27 HG2 GLU 4 2HG GLU 4 -12.005 8.734 10.255 28 HG3 GLU 4 1HG GLU 4 -11.920 8.360 11.979 29 H ILE 5 H ILE 5 -9.919 7.342 10.023 30 HA ILE 5 HA ILE 5 -9.449 8.426 7.277 31 HB ILE 5 HB ILE 5 -9.028 5.554 7.602 32 HG12 ILE 5 2HG1 ILE 5 -8.260 6.352 9.834 33 HG13 ILE 5 1HG1 ILE 5 -6.961 5.689 8.856 34 HG21 ILE 5 1HG2 ILE 5 -8.373 6.749 5.607 35 HG22 ILE 5 2HG2 ILE 5 -6.929 6.145 6.421 36 HG23 ILE 5 3HG2 ILE 5 -7.372 7.845 6.557 37 HD11 ILE 5 1HD1 ILE 5 -5.885 7.651 8.801 38 HD12 ILE 5 2HD1 ILE 5 -7.002 8.199 10.049 39 HD13 ILE 5 3HD1 ILE 5 -7.352 8.517 8.351 40 HA PRO 6 HA PRO 6 -13.664 6.600 7.230 41 HB2 PRO 6 2HB PRO 6 -14.773 8.490 5.580 42 HB3 PRO 6 1HB PRO 6 -14.677 8.661 7.342 43 HG2 PRO 6 2HG PRO 6 -13.099 9.975 5.233 44 HG3 PRO 6 1HG PRO 6 -13.490 10.528 6.867 45 HD2 PRO 6 2HD PRO 6 -11.028 9.440 6.022 46 HD3 PRO 6 1HD PRO 6 -11.534 9.707 7.704 47 H ASP 7 H ASP 7 -14.937 5.781 5.288 48 HA ASP 7 HA ASP 7 -13.165 4.612 3.380 49 HB2 ASP 7 2HB ASP 7 -15.295 3.935 2.209 50 HB3 ASP 7 1HB ASP 7 -15.234 3.483 3.911 51 H VAL 8 H VAL 8 -12.347 5.428 1.582 52 HA VAL 8 HA VAL 8 -13.807 7.563 0.116 53 HB VAL 8 HB VAL 8 -12.141 8.659 1.624 54 HG11 VAL 8 1HG1 VAL 8 -10.531 6.705 1.517 55 HG12 VAL 8 2HG1 VAL 8 -9.787 8.290 1.311 56 HG13 VAL 8 3HG1 VAL 8 -10.075 7.262 -0.092 57 HG21 VAL 8 1HG2 VAL 8 -12.768 9.682 -0.537 58 HG22 VAL 8 2HG2 VAL 8 -11.485 8.774 -1.337 59 HG23 VAL 8 3HG2 VAL 8 -11.079 10.012 -0.149 60 H ARG 9 H ARG 9 -13.518 7.430 -2.134 61 HA ARG 9 HA ARG 9 -11.704 5.233 -3.074 62 HB2 ARG 9 2HB ARG 9 -14.102 4.684 -3.355 63 HB3 ARG 9 1HB ARG 9 -14.319 6.162 -4.296 64 HG2 ARG 9 2HG ARG 9 -12.733 5.365 -5.978 65 HG3 ARG 9 1HG ARG 9 -12.416 3.917 -5.024 66 HD2 ARG 9 2HD ARG 9 -14.007 3.316 -6.735 67 HD3 ARG 9 1HD ARG 9 -14.875 3.366 -5.201 68 HE ARG 9 HE ARG 9 -14.946 5.878 -6.718 69 HH11 ARG 9 1HH1 ARG 9 -17.007 6.501 -7.409 70 HH12 ARG 9 2HH1 ARG 9 -18.312 5.364 -7.333 71 HH21 ARG 9 1HH2 ARG 9 -16.363 2.812 -6.023 72 HH22 ARG 9 2HH2 ARG 9 -17.947 3.276 -6.547 73 H LYS 10 H LYS 10 -10.082 5.936 -4.369 74 HA LYS 10 HA LYS 10 -10.539 8.379 -6.021 75 HB2 LYS 10 2HB LYS 10 -8.087 7.798 -4.330 76 HB3 LYS 10 1HB LYS 10 -8.229 9.128 -5.482 77 HG2 LYS 10 2HG LYS 10 -10.215 9.960 -4.208 78 HG3 LYS 10 1HG LYS 10 -9.932 8.694 -3.012 79 HD2 LYS 10 2HD LYS 10 -7.638 9.606 -2.645 80 HD3 LYS 10 1HD LYS 10 -8.013 10.921 -3.759 81 HE2 LYS 10 2HE LYS 10 -8.991 10.447 -0.986 82 HE3 LYS 10 1HE LYS 10 -8.627 11.966 -1.806 83 HZ1 LYS 10 1HZ LYS 10 -10.658 11.945 -2.911 84 HZ2 LYS 10 2HZ LYS 10 -11.056 11.423 -1.343 85 HZ3 LYS 10 3HZ LYS 10 -10.929 10.299 -2.611 86 H SER 11 H SER 11 -9.411 8.377 -8.014 87 HA SER 11 HA SER 11 -7.771 5.963 -8.624 88 HB2 SER 11 2HB SER 11 -8.957 5.653 -10.745 89 HB3 SER 11 1HB SER 11 -10.096 5.546 -9.403 90 HG SER 11 HG SER 11 -9.730 7.561 -11.318 91 H VAL 12 H VAL 12 -6.222 6.313 -10.289 92 HA VAL 12 HA VAL 12 -6.095 8.971 -11.560 93 HB VAL 12 HB VAL 12 -4.428 8.168 -9.275 94 HG11 VAL 12 1HG1 VAL 12 -2.397 9.330 -10.232 95 HG12 VAL 12 2HG1 VAL 12 -3.152 9.215 -11.818 96 HG13 VAL 12 3HG1 VAL 12 -2.724 7.747 -10.935 97 HG21 VAL 12 1HG2 VAL 12 -5.891 10.224 -9.523 98 HG22 VAL 12 2HG2 VAL 12 -4.715 10.829 -10.688 99 HG23 VAL 12 3HG2 VAL 12 -4.234 10.550 -9.015 100 H VAL 13 H VAL 13 -4.620 8.975 -13.388 101 HA VAL 13 HA VAL 13 -3.993 6.225 -14.331 102 HB VAL 13 HB VAL 13 -4.125 8.815 -15.904 103 HG11 VAL 13 1HG1 VAL 13 -2.709 7.196 -17.002 104 HG12 VAL 13 2HG1 VAL 13 -4.264 7.193 -17.835 105 HG13 VAL 13 3HG1 VAL 13 -3.869 5.902 -16.700 106 HG21 VAL 13 1HG2 VAL 13 -6.364 8.553 -15.616 107 HG22 VAL 13 2HG2 VAL 13 -6.177 6.913 -14.993 108 HG23 VAL 13 3HG2 VAL 13 -6.201 7.199 -16.734 109 H VAL 14 H VAL 14 -1.881 5.628 -14.636 110 HA VAL 14 HA VAL 14 0.194 7.771 -14.501 111 HB VAL 14 HB VAL 14 1.542 6.390 -13.034 112 HG11 VAL 14 1HG1 VAL 14 0.248 6.604 -11.059 113 HG12 VAL 14 2HG1 VAL 14 -1.259 6.278 -11.911 114 HG13 VAL 14 3HG1 VAL 14 -0.423 7.812 -12.149 115 HG21 VAL 14 1HG2 VAL 14 1.286 4.151 -13.230 116 HG22 VAL 14 2HG2 VAL 14 -0.310 4.332 -13.958 117 HG23 VAL 14 3HG2 VAL 14 -0.138 4.319 -12.203 118 H ALA 15 H ALA 15 2.319 7.025 -15.413 119 HA ALA 15 HA ALA 15 1.843 5.522 -17.881 120 HB1 ALA 15 1HB ALA 15 3.396 7.621 -17.438 121 HB2 ALA 15 2HB ALA 15 3.858 6.401 -18.624 122 HB3 ALA 15 3HB ALA 15 4.575 6.381 -17.012 123 H ALA 16 H ALA 16 1.542 3.319 -17.244 124 HA ALA 16 HA ALA 16 3.926 1.776 -16.909 125 HB1 ALA 16 1HB ALA 16 2.523 2.649 -14.442 126 HB2 ALA 16 2HB ALA 16 4.208 2.185 -14.675 127 HB3 ALA 16 3HB ALA 16 2.966 0.943 -14.516 128 H SER 17 H SER 17 3.395 -0.565 -16.589 129 HA SER 17 HA SER 17 0.720 -1.165 -17.719 130 HB2 SER 17 2HB SER 17 1.646 -3.315 -18.341 131 HB3 SER 17 1HB SER 17 2.818 -2.085 -18.806 132 HG SER 17 HG SER 17 2.995 -4.086 -16.948 133 H VAL 18 H VAL 18 -0.575 -2.874 -16.655 134 HA VAL 18 HA VAL 18 -0.657 -2.618 -13.824 135 HB VAL 18 HB VAL 18 -2.228 -4.546 -13.915 136 HG11 VAL 18 1HG1 VAL 18 -2.695 -2.641 -16.208 137 HG12 VAL 18 2HG1 VAL 18 -2.846 -2.151 -14.525 138 HG13 VAL 18 3HG1 VAL 18 -3.906 -3.400 -15.182 139 HG21 VAL 18 1HG2 VAL 18 -1.351 -5.991 -15.554 140 HG22 VAL 18 2HG2 VAL 18 -1.115 -4.683 -16.711 141 HG23 VAL 18 3HG2 VAL 18 -2.741 -5.272 -16.367 142 H GLU 19 H GLU 19 0.799 -5.114 -15.887 143 HA GLU 19 HA GLU 19 1.540 -6.902 -13.798 144 HB2 GLU 19 2HB GLU 19 1.670 -7.420 -16.251 145 HB3 GLU 19 1HB GLU 19 3.074 -6.358 -16.347 146 HG2 GLU 19 2HG GLU 19 4.214 -7.755 -14.629 147 HG3 GLU 19 1HG GLU 19 2.832 -8.852 -14.642 148 H HIS 20 H HIS 20 3.108 -4.044 -15.162 149 HA HIS 20 HA HIS 20 5.543 -4.259 -13.660 150 HB2 HIS 20 2HB HIS 20 5.539 -2.747 -15.515 151 HB3 HIS 20 1HB HIS 20 4.125 -1.889 -14.894 152 HD1 HIS 20 1HD HIS 20 7.805 -2.021 -14.651 153 HD2 HIS 20 2HD HIS 20 4.675 -0.382 -12.421 154 HE1 HIS 20 1HE HIS 20 8.853 -0.403 -13.008 155 HE2 HIS 20 2HE HIS 20 6.958 0.600 -11.660 156 H CYS 21 H CYS 21 2.440 -2.674 -13.024 157 HA CYS 21 HA CYS 21 3.072 -1.218 -10.730 158 HB2 CYS 21 2HB CYS 21 0.581 -2.833 -11.332 159 HB3 CYS 21 1HB CYS 21 0.705 -1.647 -10.038 160 HG CYS 21 HG CYS 21 0.363 0.153 -11.695 161 H PHE 22 H PHE 22 2.256 -4.671 -10.988 162 HA PHE 22 HA PHE 22 2.686 -4.999 -8.114 163 HB2 PHE 22 2HB PHE 22 1.552 -6.618 -10.250 164 HB3 PHE 22 1HB PHE 22 2.593 -7.556 -9.167 165 HD1 PHE 22 1HD PHE 22 2.006 -7.934 -6.878 166 HD2 PHE 22 2HD PHE 22 -0.291 -5.233 -9.300 167 HE1 PHE 22 1HE PHE 22 0.315 -7.761 -5.073 168 HE2 PHE 22 2HE PHE 22 -1.986 -5.062 -7.507 169 HZ PHE 22 HZ PHE 22 -1.681 -6.319 -5.396 170 H GLU 23 H GLU 23 4.570 -5.354 -11.025 171 HA GLU 23 HA GLU 23 6.594 -7.074 -9.985 172 HB2 GLU 23 2HB GLU 23 6.493 -6.400 -12.371 173 HB3 GLU 23 1HB GLU 23 6.908 -4.753 -11.903 174 HG2 GLU 23 2HG GLU 23 9.029 -5.580 -10.918 175 HG3 GLU 23 1HG GLU 23 8.627 -7.209 -11.468 176 H VAL 24 H VAL 24 6.135 -3.564 -9.847 177 HA VAL 24 HA VAL 24 8.534 -2.989 -8.397 178 HB VAL 24 HB VAL 24 5.875 -1.547 -8.616 179 HG11 VAL 24 1HG1 VAL 24 7.771 0.317 -7.888 180 HG12 VAL 24 2HG1 VAL 24 8.197 -1.071 -6.888 181 HG13 VAL 24 3HG1 VAL 24 6.573 -0.391 -6.806 182 HG21 VAL 24 1HG2 VAL 24 7.131 -1.671 -10.700 183 HG22 VAL 24 2HG2 VAL 24 8.606 -1.157 -9.883 184 HG23 VAL 24 3HG2 VAL 24 7.259 -0.033 -10.059 185 H PHE 25 H PHE 25 5.221 -3.758 -7.392 186 HA PHE 25 HA PHE 25 5.473 -3.275 -4.621 187 HB2 PHE 25 2HB PHE 25 3.855 -5.289 -6.186 188 HB3 PHE 25 1HB PHE 25 3.710 -5.119 -4.445 189 HD1 PHE 25 1HD PHE 25 4.474 -1.982 -6.165 190 HD2 PHE 25 2HD PHE 25 1.277 -4.627 -4.998 191 HE1 PHE 25 1HE PHE 25 2.854 -0.160 -6.448 192 HE2 PHE 25 2HE PHE 25 -0.339 -2.782 -5.294 193 HZ PHE 25 HZ PHE 25 0.456 -0.548 -6.012 194 H THR 26 H THR 26 6.174 -6.252 -6.455 195 HA THR 26 HA THR 26 7.339 -7.419 -3.995 196 HB THR 26 HB THR 26 7.334 -9.521 -5.243 197 HG1 THR 26 1HG THR 26 5.965 -8.556 -7.388 198 HG21 THR 26 1HG2 THR 26 5.220 -9.605 -4.455 199 HG22 THR 26 2HG2 THR 26 4.704 -9.058 -6.050 200 HG23 THR 26 3HG2 THR 26 4.978 -7.884 -4.766 201 H SER 27 H SER 27 8.481 -5.601 -6.598 202 HA SER 27 HA SER 27 11.048 -7.095 -6.709 203 HB2 SER 27 2HB SER 27 10.062 -6.448 -8.857 204 HB3 SER 27 1HB SER 27 10.112 -4.756 -8.369 205 HG SER 27 HG SER 27 12.459 -5.245 -8.013 206 H ARG 28 H ARG 28 9.851 -3.834 -5.797 207 HA ARG 28 HA ARG 28 12.035 -3.477 -3.963 208 HB2 ARG 28 2HB ARG 28 13.132 -1.585 -5.319 209 HB3 ARG 28 1HB ARG 28 13.515 -3.232 -5.778 210 HG2 ARG 28 2HG ARG 28 13.058 -2.189 -7.839 211 HG3 ARG 28 1HG ARG 28 11.550 -3.005 -7.472 212 HD2 ARG 28 2HD ARG 28 10.475 -0.988 -6.865 213 HD3 ARG 28 1HD ARG 28 12.005 -0.133 -6.648 214 HE ARG 28 HE ARG 28 10.587 -0.468 -9.155 215 HH11 ARG 28 1HH1 ARG 28 11.596 0.392 -10.985 216 HH12 ARG 28 2HH1 ARG 28 13.279 0.799 -10.919 217 HH21 ARG 28 1HH2 ARG 28 13.661 -0.194 -7.620 218 HH22 ARG 28 2HH2 ARG 28 14.448 0.465 -9.014 219 HA PRO 29 HA PRO 29 8.351 -0.505 -3.975 220 HB2 PRO 29 2HB PRO 29 7.523 -1.198 -1.420 221 HB3 PRO 29 1HB PRO 29 6.831 -1.827 -2.926 222 HG2 PRO 29 2HG PRO 29 8.791 -3.065 -1.084 223 HG3 PRO 29 1HG PRO 29 7.511 -3.812 -2.047 224 HD2 PRO 29 2HD PRO 29 10.143 -3.935 -2.767 225 HD3 PRO 29 1HD PRO 29 8.822 -3.938 -3.954 226 H ALA 30 H ALA 30 10.713 -1.308 -1.461 227 HA ALA 30 HA ALA 30 10.433 1.276 -0.149 228 HB1 ALA 30 1HB ALA 30 11.285 -0.058 1.455 229 HB2 ALA 30 2HB ALA 30 12.847 0.247 0.697 230 HB3 ALA 30 3HB ALA 30 11.931 -1.200 0.276 231 H ASP 31 H ASP 31 12.623 -0.058 -2.585 232 HA ASP 31 HA ASP 31 14.689 1.862 -2.440 233 HB2 ASP 31 2HB ASP 31 13.542 0.549 -4.913 234 HB3 ASP 31 1HB ASP 31 15.089 1.384 -4.838 235 H TRP 32 H TRP 32 11.479 2.140 -3.913 236 HA TRP 32 HA TRP 32 12.215 4.820 -4.945 237 HB2 TRP 32 2HB TRP 32 10.661 4.433 -6.539 238 HB3 TRP 32 1HB TRP 32 10.469 2.809 -5.878 239 HD1 TRP 32 HD TRP 32 9.136 6.365 -5.173 240 HE1 TRP 32 1HE TRP 32 6.700 6.175 -4.368 241 HE3 TRP 32 3HE TRP 32 8.586 1.307 -5.264 242 HZ2 TRP 32 2HZ TRP 32 4.781 4.140 -3.858 243 HZ3 TRP 32 3HZ TRP 32 6.409 0.268 -4.634 244 HH2 TRP 32 HH TRP 32 4.511 1.685 -3.933 245 H TRP 33 H TRP 33 12.102 6.414 -3.462 246 HA TRP 33 HA TRP 33 9.901 6.320 -1.439 247 HB2 TRP 33 2HB TRP 33 12.062 8.236 -0.943 248 HB3 TRP 33 1HB TRP 33 11.391 7.003 0.125 249 HD1 TRP 33 HD TRP 33 12.473 4.590 0.076 250 HE1 TRP 33 1HE TRP 33 14.735 3.723 -0.806 251 HE3 TRP 33 3HE TRP 33 13.876 8.564 -2.807 252 HZ2 TRP 33 2HZ TRP 33 16.859 4.600 -2.509 253 HZ3 TRP 33 3HZ TRP 33 16.021 8.521 -4.048 254 HH2 TRP 33 HH TRP 33 17.513 6.547 -3.903 255 HA PRO 34 HA PRO 34 7.918 9.860 -3.112 256 HB2 PRO 34 2HB PRO 34 7.953 11.450 -0.718 257 HB3 PRO 34 1HB PRO 34 6.613 10.532 -1.410 258 HG2 PRO 34 2HG PRO 34 8.315 9.865 0.837 259 HG3 PRO 34 1HG PRO 34 6.799 9.126 0.315 260 HD2 PRO 34 2HD PRO 34 9.306 7.931 0.119 261 HD3 PRO 34 1HD PRO 34 7.870 7.450 -0.807 262 HA PRO 35 HA PRO 35 11.032 13.475 -2.111 263 HB2 PRO 35 2HB PRO 35 13.402 12.614 -0.937 264 HB3 PRO 35 1HB PRO 35 12.069 13.410 -0.080 265 HG2 PRO 35 2HG PRO 35 12.748 10.524 -0.260 266 HG3 PRO 35 1HG PRO 35 12.113 11.455 1.107 267 HD2 PRO 35 2HD PRO 35 10.526 9.834 -0.345 268 HD3 PRO 35 1HD PRO 35 9.926 11.360 0.336 269 H SER 36 H SER 36 12.385 14.060 -3.796 270 HA SER 36 HA SER 36 13.110 12.143 -5.783 271 HB2 SER 36 2HB SER 36 14.281 14.908 -5.361 272 HB3 SER 36 1HB SER 36 14.314 13.975 -6.855 273 HG SER 36 HG SER 36 12.590 15.599 -6.617 274 H HIS 37 H HIS 37 14.940 13.582 -3.106 275 HA HIS 37 HA HIS 37 16.820 11.373 -3.124 276 HB2 HIS 37 2HB HIS 37 17.688 12.714 -5.033 277 HB3 HIS 37 1HB HIS 37 17.861 14.098 -3.954 278 HD1 HIS 37 1HD HIS 37 18.983 10.439 -3.984 279 HD2 HIS 37 2HD HIS 37 20.378 14.200 -2.838 280 HE1 HIS 37 1HE HIS 37 21.340 10.097 -3.114 281 HE2 HIS 37 2HE HIS 37 22.197 12.380 -2.415 282 H VAL 38 H VAL 38 15.187 12.340 -1.115 283 HA VAL 38 HA VAL 38 17.133 13.665 0.738 284 HB VAL 38 HB VAL 38 14.107 13.798 0.876 285 HG11 VAL 38 1HG1 VAL 38 15.424 14.031 3.014 286 HG12 VAL 38 2HG1 VAL 38 14.479 15.458 2.589 287 HG13 VAL 38 3HG1 VAL 38 16.218 15.435 2.302 288 HG21 VAL 38 1HG2 VAL 38 14.513 16.213 0.202 289 HG22 VAL 38 2HG2 VAL 38 14.792 15.031 -1.077 290 HG23 VAL 38 3HG2 VAL 38 16.160 15.740 -0.218 291 H LEU 39 H LEU 39 17.441 12.651 2.734 292 HA LEU 39 HA LEU 39 17.108 9.921 3.050 293 HB2 LEU 39 2HB LEU 39 18.388 11.400 4.615 294 HB3 LEU 39 1HB LEU 39 16.857 11.943 5.300 295 HG LEU 39 HG LEU 39 16.318 9.533 5.813 296 HD11 LEU 39 1HD1 LEU 39 17.658 8.202 4.454 297 HD12 LEU 39 2HD1 LEU 39 18.574 8.159 5.960 298 HD13 LEU 39 3HD1 LEU 39 19.072 9.235 4.657 299 HD21 LEU 39 1HD2 LEU 39 18.302 9.432 7.592 300 HD22 LEU 39 2HD2 LEU 39 17.018 10.634 7.725 301 HD23 LEU 39 3HD2 LEU 39 18.575 11.080 7.025 302 H VAL 40 H VAL 40 15.380 8.593 3.347 303 HA VAL 40 HA VAL 40 12.708 9.628 3.244 304 HB VAL 40 HB VAL 40 12.007 7.298 3.524 305 HG11 VAL 40 1HG1 VAL 40 12.984 8.096 1.354 306 HG12 VAL 40 2HG1 VAL 40 13.155 6.360 1.617 307 HG13 VAL 40 3HG1 VAL 40 14.535 7.429 1.866 308 HG21 VAL 40 1HG2 VAL 40 14.588 7.106 4.876 309 HG22 VAL 40 2HG2 VAL 40 14.402 5.856 3.650 310 HG23 VAL 40 3HG2 VAL 40 13.213 6.005 4.941 311 H LYS 41 H LYS 41 11.365 10.262 4.872 312 HA LYS 41 HA LYS 41 12.302 10.558 7.557 313 HB2 LYS 41 2HB LYS 41 9.478 10.549 6.468 314 HB3 LYS 41 1HB LYS 41 9.919 11.072 8.092 315 HG2 LYS 41 2HG LYS 41 11.447 12.772 7.082 316 HG3 LYS 41 1HG LYS 41 10.862 12.300 5.486 317 HD2 LYS 41 2HD LYS 41 8.540 12.862 6.213 318 HD3 LYS 41 1HD LYS 41 9.193 13.440 7.746 319 HE2 LYS 41 2HE LYS 41 10.510 15.137 6.600 320 HE3 LYS 41 1HE LYS 41 10.008 14.510 5.030 321 HZ1 LYS 41 1HZ LYS 41 8.527 16.209 5.330 322 HZ2 LYS 41 2HZ LYS 41 8.454 16.014 7.016 323 HZ3 LYS 41 3HZ LYS 41 7.644 14.924 5.996 324 H LYS 42 H LYS 42 10.410 8.078 5.941 325 HA LYS 42 HA LYS 42 9.794 6.577 8.350 326 HB2 LYS 42 2HB LYS 42 9.197 4.763 6.741 327 HB3 LYS 42 1HB LYS 42 8.431 6.298 6.326 328 HG2 LYS 42 2HG LYS 42 10.123 6.753 4.648 329 HG3 LYS 42 1HG LYS 42 11.037 5.320 5.116 330 HD2 LYS 42 2HD LYS 42 9.102 3.911 4.474 331 HD3 LYS 42 1HD LYS 42 8.256 5.357 3.919 332 HE2 LYS 42 2HE LYS 42 9.831 5.741 2.183 333 HE3 LYS 42 1HE LYS 42 11.004 4.632 2.894 334 HZ1 LYS 42 1HZ LYS 42 8.539 3.319 2.395 335 HZ2 LYS 42 2HZ LYS 42 10.091 2.941 1.819 336 HZ3 LYS 42 3HZ LYS 42 9.115 4.046 0.975 337 H GLU 43 H GLU 43 10.643 4.182 8.398 338 HA GLU 43 HA GLU 43 13.580 4.254 7.860 339 HB2 GLU 43 2HB GLU 43 12.059 2.888 10.083 340 HB3 GLU 43 1HB GLU 43 13.786 2.690 9.800 341 HG2 GLU 43 2HG GLU 43 14.072 5.152 10.065 342 HG3 GLU 43 1HG GLU 43 12.354 5.288 10.437 343 H ARG 44 H ARG 44 13.783 3.090 5.976 344 HA ARG 44 HA ARG 44 12.561 0.358 5.946 345 HB2 ARG 44 2HB ARG 44 13.004 2.155 3.546 346 HB3 ARG 44 1HB ARG 44 12.244 0.564 3.539 347 HG2 ARG 44 2HG ARG 44 11.180 2.930 5.112 348 HG3 ARG 44 1HG ARG 44 10.607 2.480 3.511 349 HD2 ARG 44 2HD ARG 44 10.113 0.172 4.467 350 HD3 ARG 44 1HD ARG 44 10.400 0.871 6.060 351 HE ARG 44 HE ARG 44 8.437 2.293 4.392 352 HH11 ARG 44 1HH1 ARG 44 6.376 2.414 5.306 353 HH12 ARG 44 2HH1 ARG 44 5.993 1.433 6.681 354 HH21 ARG 44 1HH2 ARG 44 9.126 -0.039 6.841 355 HH22 ARG 44 2HH2 ARG 44 7.549 0.047 7.549 356 H ALA 45 H ALA 45 13.927 -1.305 5.297 357 HA ALA 45 HA ALA 45 16.679 -0.545 4.423 358 HB1 ALA 45 1HB ALA 45 16.603 -2.893 6.159 359 HB2 ALA 45 2HB ALA 45 16.047 -1.434 6.981 360 HB3 ALA 45 3HB ALA 45 17.649 -1.474 6.241 361 H GLY 46 H GLY 46 14.420 -3.261 4.899 362 HA2 GLY 46 2HA GLY 46 15.245 -4.339 2.247 363 HA3 GLY 46 1HA GLY 46 15.336 -5.401 3.649 364 H LEU 47 H LEU 47 13.679 -6.298 1.714 365 HA LEU 47 HA LEU 47 11.077 -6.073 3.021 366 HB2 LEU 47 2HB LEU 47 9.872 -5.405 0.980 367 HB3 LEU 47 1HB LEU 47 11.015 -4.160 1.493 368 HG LEU 47 HG LEU 47 12.561 -5.794 -0.100 369 HD11 LEU 47 1HD1 LEU 47 10.666 -7.042 -0.915 370 HD12 LEU 47 2HD1 LEU 47 11.204 -5.974 -2.211 371 HD13 LEU 47 3HD1 LEU 47 9.775 -5.563 -1.262 372 HD21 LEU 47 1HD2 LEU 47 12.652 -3.372 -0.113 373 HD22 LEU 47 2HD2 LEU 47 11.022 -3.273 -0.775 374 HD23 LEU 47 3HD2 LEU 47 12.335 -3.918 -1.757 375 H ALA 48 H ALA 48 9.893 -7.874 2.858 376 HA ALA 48 HA ALA 48 10.849 -9.968 0.951 377 HB1 ALA 48 1HB ALA 48 10.393 -11.609 2.546 378 HB2 ALA 48 2HB ALA 48 9.191 -10.615 3.369 379 HB3 ALA 48 3HB ALA 48 10.910 -10.281 3.588 380 H PHE 49 H PHE 49 9.341 -10.658 -0.538 381 HA PHE 49 HA PHE 49 6.484 -9.898 -0.067 382 HB2 PHE 49 2HB PHE 49 8.320 -9.147 -2.249 383 HB3 PHE 49 1HB PHE 49 6.745 -9.736 -2.775 384 HD1 PHE 49 1HD PHE 49 4.804 -8.406 -2.560 385 HD2 PHE 49 2HD PHE 49 8.419 -7.257 -0.565 386 HE1 PHE 49 1HE PHE 49 3.811 -6.195 -2.048 387 HE2 PHE 49 2HE PHE 49 7.432 -5.042 -0.046 388 HZ PHE 49 HZ PHE 49 5.127 -4.512 -0.792 389 H GLU 50 H GLU 50 5.031 -11.514 -0.555 390 HA GLU 50 HA GLU 50 6.047 -13.777 -2.226 391 HB2 GLU 50 2HB GLU 50 4.788 -13.864 0.480 392 HB3 GLU 50 1HB GLU 50 4.517 -15.204 -0.629 393 HG2 GLU 50 2HG GLU 50 7.218 -14.113 0.163 394 HG3 GLU 50 1HG GLU 50 6.467 -15.529 0.893 395 HA PRO 51 HA PRO 51 2.041 -12.907 -4.129 396 HB2 PRO 51 2HB PRO 51 2.118 -14.616 -6.170 397 HB3 PRO 51 1HB PRO 51 3.261 -13.261 -6.079 398 HG2 PRO 51 2HG PRO 51 3.692 -16.141 -5.429 399 HG3 PRO 51 1HG PRO 51 4.756 -15.009 -6.281 400 HD2 PRO 51 2HD PRO 51 4.995 -15.670 -3.582 401 HD3 PRO 51 1HD PRO 51 5.656 -14.201 -4.339 402 H PHE 52 H PHE 52 -0.017 -13.661 -3.591 403 HA PHE 52 HA PHE 52 -0.961 -16.311 -3.790 404 HB2 PHE 52 2HB PHE 52 -0.995 -16.726 -1.184 405 HB3 PHE 52 1HB PHE 52 0.413 -17.187 -2.131 406 HD1 PHE 52 1HD PHE 52 1.668 -17.071 0.079 407 HD2 PHE 52 2HD PHE 52 -0.090 -13.575 -1.714 408 HE1 PHE 52 1HE PHE 52 3.093 -15.597 1.478 409 HE2 PHE 52 2HE PHE 52 1.358 -12.147 -0.367 410 HZ PHE 52 HZ PHE 52 2.917 -13.122 1.253 411 H VAL 53 H VAL 53 -2.834 -16.646 -1.991 412 HA VAL 53 HA VAL 53 -4.488 -14.183 -2.045 413 HB VAL 53 HB VAL 53 -5.193 -17.067 -1.458 414 HG11 VAL 53 1HG1 VAL 53 -7.187 -16.348 -0.711 415 HG12 VAL 53 2HG1 VAL 53 -7.416 -15.379 -2.166 416 HG13 VAL 53 3HG1 VAL 53 -6.571 -14.698 -0.776 417 HG21 VAL 53 1HG2 VAL 53 -5.083 -17.211 -3.718 418 HG22 VAL 53 2HG2 VAL 53 -5.011 -15.459 -3.906 419 HG23 VAL 53 3HG2 VAL 53 -6.570 -16.261 -3.709 420 H GLY 54 H GLY 54 -5.188 -13.240 -0.024 421 HA2 GLY 54 2HA GLY 54 -5.064 -12.859 2.322 422 HA3 GLY 54 1HA GLY 54 -4.845 -14.613 2.512 423 H GLY 55 H GLY 55 -3.032 -12.659 0.389 424 HA2 GLY 55 2HA GLY 55 -0.523 -13.686 1.183 425 HA3 GLY 55 1HA GLY 55 -0.819 -12.370 0.051 426 H ARG 56 H ARG 56 1.443 -12.121 1.424 427 HA ARG 56 HA ARG 56 0.786 -9.895 3.278 428 HB2 ARG 56 2HB ARG 56 2.580 -12.235 3.957 429 HB3 ARG 56 1HB ARG 56 2.475 -10.754 4.911 430 HG2 ARG 56 2HG ARG 56 0.039 -11.148 5.208 431 HG3 ARG 56 1HG ARG 56 0.192 -12.660 4.313 432 HD2 ARG 56 2HD ARG 56 1.915 -13.386 6.012 433 HD3 ARG 56 1HD ARG 56 1.485 -11.963 6.960 434 HE ARG 56 HE ARG 56 -0.950 -13.109 6.620 435 HH11 ARG 56 1HH1 ARG 56 -1.801 -14.813 7.834 436 HH12 ARG 56 2HH1 ARG 56 -0.727 -15.938 8.597 437 HH21 ARG 56 1HH2 ARG 56 2.148 -14.387 7.438 438 HH22 ARG 56 2HH2 ARG 56 1.508 -15.697 8.373 439 H TYR 57 H TYR 57 2.305 -8.285 3.357 440 HA TYR 57 HA TYR 57 4.708 -8.530 1.593 441 HB2 TYR 57 2HB TYR 57 3.087 -6.033 2.173 442 HB3 TYR 57 1HB TYR 57 4.468 -6.145 1.099 443 HD1 TYR 57 1HD TYR 57 1.338 -5.415 0.743 444 HD2 TYR 57 2HD TYR 57 3.827 -8.757 -0.331 445 HE1 TYR 57 1HE TYR 57 -0.199 -5.977 -1.115 446 HE2 TYR 57 2HE TYR 57 2.287 -9.317 -2.169 447 HH TYR 57 HH TYR 57 -0.702 -7.454 -2.701 448 H TYR 58 H TYR 58 6.655 -7.611 2.451 449 HA TYR 58 HA TYR 58 6.433 -6.612 5.262 450 HB2 TYR 58 2HB TYR 58 8.432 -8.648 4.266 451 HB3 TYR 58 1HB TYR 58 8.314 -8.014 5.905 452 HD1 TYR 58 1HD TYR 58 6.778 -8.909 7.461 453 HD2 TYR 58 2HD TYR 58 6.466 -9.898 3.300 454 HE1 TYR 58 1HE TYR 58 5.066 -10.609 8.001 455 HE2 TYR 58 2HE TYR 58 4.757 -11.598 3.819 456 HH TYR 58 HH TYR 58 4.075 -12.574 7.085 457 H GLU 59 H GLU 59 8.058 -5.257 5.973 458 HA GLU 59 HA GLU 59 10.166 -4.453 4.045 459 HB2 GLU 59 2HB GLU 59 8.389 -2.521 5.545 460 HB3 GLU 59 1HB GLU 59 9.853 -2.076 4.680 461 HG2 GLU 59 2HG GLU 59 8.909 -2.995 2.587 462 HG3 GLU 59 1HG GLU 59 7.419 -3.395 3.444 463 H TRP 60 H TRP 60 12.060 -3.627 5.121 464 HA TRP 60 HA TRP 60 12.198 -4.506 7.980 465 HB2 TRP 60 2HB TRP 60 13.955 -4.743 5.655 466 HB3 TRP 60 1HB TRP 60 14.790 -4.061 7.049 467 HD1 TRP 60 HD TRP 60 14.254 -5.565 9.429 468 HE1 TRP 60 1HE TRP 60 14.357 -8.138 9.635 469 HE3 TRP 60 3HE TRP 60 13.809 -6.863 4.513 470 HZ2 TRP 60 2HZ TRP 60 14.225 -10.437 7.929 471 HZ3 TRP 60 3HZ TRP 60 13.797 -9.242 3.829 472 HH2 TRP 60 HH TRP 60 14.013 -11.029 5.525 473 H ASP 61 H ASP 61 12.546 -2.871 9.499 474 HA ASP 61 HA ASP 61 13.262 -0.193 8.356 475 HB2 ASP 61 2HB ASP 61 12.844 -0.067 11.186 476 HB3 ASP 61 1HB ASP 61 11.875 0.647 9.905 477 H ILE 62 H ILE 62 15.255 0.703 8.792 478 HA ILE 62 HA ILE 62 17.431 -0.908 9.415 479 HB ILE 62 HB ILE 62 18.633 1.262 9.930 480 HG12 ILE 62 2HG1 ILE 62 16.066 2.144 10.494 481 HG13 ILE 62 1HG1 ILE 62 17.474 3.175 10.286 482 HG21 ILE 62 1HG2 ILE 62 18.601 0.375 7.686 483 HG22 ILE 62 2HG2 ILE 62 18.300 2.108 7.581 484 HG23 ILE 62 3HG2 ILE 62 16.962 0.967 7.421 485 HD11 ILE 62 1HD1 ILE 62 15.639 2.308 8.031 486 HD12 ILE 62 2HD1 ILE 62 16.956 3.482 7.930 487 HD13 ILE 62 3HD1 ILE 62 15.520 3.848 8.877 488 H ASP 63 H ASP 63 15.444 0.977 11.652 489 HA ASP 63 HA ASP 63 17.023 -0.185 13.906 490 HB2 ASP 63 2HB ASP 63 15.134 2.190 13.818 491 HB3 ASP 63 1HB ASP 63 15.884 1.569 15.289 492 H GLY 64 H GLY 64 14.262 -0.558 12.094 493 HA2 GLY 64 2HA GLY 64 12.810 -1.829 14.359 494 HA3 GLY 64 1HA GLY 64 12.015 -1.196 12.927 495 H THR 65 H THR 65 12.136 -3.855 14.186 496 HA THR 65 HA THR 65 13.533 -5.742 12.576 497 HB THR 65 HB THR 65 10.932 -6.196 14.041 498 HG1 THR 65 1HG THR 65 13.452 -5.538 14.957 499 HG21 THR 65 1HG2 THR 65 11.470 -8.216 13.053 500 HG22 THR 65 2HG2 THR 65 12.357 -8.359 14.569 501 HG23 THR 65 3HG2 THR 65 13.204 -7.897 13.094 502 H GLU 66 H GLU 66 12.034 -7.527 11.438 503 HA GLU 66 HA GLU 66 10.782 -6.185 9.153 504 HB2 GLU 66 2HB GLU 66 12.163 -8.374 9.121 505 HB3 GLU 66 1HB GLU 66 10.716 -9.144 9.727 506 HG2 GLU 66 2HG GLU 66 9.459 -8.209 7.812 507 HG3 GLU 66 1HG GLU 66 10.970 -7.576 7.163 508 H ILE 67 H ILE 67 8.557 -6.110 8.744 509 HA ILE 67 HA ILE 67 6.728 -7.702 10.432 510 HB ILE 67 HB ILE 67 6.061 -4.809 10.371 511 HG12 ILE 67 2HG1 ILE 67 8.042 -5.986 12.331 512 HG13 ILE 67 1HG1 ILE 67 8.460 -4.840 11.057 513 HG21 ILE 67 1HG2 ILE 67 5.141 -5.394 12.595 514 HG22 ILE 67 2HG2 ILE 67 5.789 -7.024 12.411 515 HG23 ILE 67 3HG2 ILE 67 4.522 -6.450 11.326 516 HD11 ILE 67 1HD1 ILE 67 7.053 -4.384 13.625 517 HD12 ILE 67 2HD1 ILE 67 6.399 -3.522 12.231 518 HD13 ILE 67 3HD1 ILE 67 8.085 -3.296 12.697 519 H VAL 68 H VAL 68 4.386 -7.318 9.741 520 HA VAL 68 HA VAL 68 4.321 -7.006 6.780 521 HB VAL 68 HB VAL 68 3.399 -9.097 7.799 522 HG11 VAL 68 1HG1 VAL 68 2.477 -7.551 9.782 523 HG12 VAL 68 2HG1 VAL 68 1.714 -9.085 9.368 524 HG13 VAL 68 3HG1 VAL 68 1.031 -7.572 8.773 525 HG21 VAL 68 1HG2 VAL 68 2.498 -7.863 5.664 526 HG22 VAL 68 2HG2 VAL 68 1.089 -7.538 6.673 527 HG23 VAL 68 3HG2 VAL 68 1.570 -9.203 6.340 528 H TRP 69 H TRP 69 3.100 -5.394 5.814 529 HA TRP 69 HA TRP 69 1.784 -3.457 7.680 530 HB2 TRP 69 2HB TRP 69 2.444 -2.762 4.848 531 HB3 TRP 69 1HB TRP 69 2.425 -1.732 6.280 532 HD1 TRP 69 HD TRP 69 4.745 -3.434 4.052 533 HE1 TRP 69 1HE TRP 69 7.083 -3.615 5.117 534 HE3 TRP 69 3HE TRP 69 3.606 -2.265 8.880 535 HZ2 TRP 69 2HZ TRP 69 8.309 -3.289 7.680 536 HZ3 TRP 69 3HZ TRP 69 5.373 -2.224 10.606 537 HH2 TRP 69 HH TRP 69 7.724 -2.724 10.017 538 H GLY 70 H GLY 70 0.864 -5.914 5.670 539 HA2 GLY 70 2HA GLY 70 -1.843 -4.958 5.483 540 HA3 GLY 70 1HA GLY 70 -1.032 -4.773 3.933 541 H ARG 71 H ARG 71 -2.869 -6.342 3.441 542 HA ARG 71 HA ARG 71 -1.762 -9.072 3.452 543 HB2 ARG 71 2HB ARG 71 -3.821 -8.408 5.204 544 HB3 ARG 71 1HB ARG 71 -4.666 -9.090 3.817 545 HG2 ARG 71 2HG ARG 71 -3.153 -11.060 3.892 546 HG3 ARG 71 1HG ARG 71 -2.418 -10.408 5.354 547 HD2 ARG 71 2HD ARG 71 -4.072 -11.953 6.110 548 HD3 ARG 71 1HD ARG 71 -4.784 -10.357 6.340 549 HE ARG 71 HE ARG 71 -5.502 -11.325 3.748 550 HH11 ARG 71 1HH1 ARG 71 -7.588 -12.150 3.462 551 HH12 ARG 71 2HH1 ARG 71 -8.502 -12.652 4.844 552 HH21 ARG 71 1HH2 ARG 71 -6.011 -11.848 7.117 553 HH22 ARG 71 2HH2 ARG 71 -7.611 -12.481 6.913 554 H ILE 72 H ILE 72 -3.523 -10.376 2.008 555 HA ILE 72 HA ILE 72 -4.289 -8.620 -0.267 556 HB ILE 72 HB ILE 72 -2.716 -11.182 -0.340 557 HG12 ILE 72 2HG1 ILE 72 -1.488 -9.777 -2.105 558 HG13 ILE 72 1HG1 ILE 72 -2.430 -8.412 -1.510 559 HG21 ILE 72 1HG2 ILE 72 -4.506 -11.651 -1.852 560 HG22 ILE 72 2HG2 ILE 72 -3.133 -11.141 -2.836 561 HG23 ILE 72 3HG2 ILE 72 -4.451 -10.016 -2.515 562 HD11 ILE 72 1HD1 ILE 72 -1.368 -9.761 0.764 563 HD12 ILE 72 2HD1 ILE 72 -0.959 -8.157 0.173 564 HD13 ILE 72 3HD1 ILE 72 -0.053 -9.562 -0.388 565 H LEU 73 H LEU 73 -6.027 -9.712 -1.653 566 HA LEU 73 HA LEU 73 -7.734 -11.464 0.067 567 HB2 LEU 73 2HB LEU 73 -8.377 -9.268 -1.875 568 HB3 LEU 73 1HB LEU 73 -9.558 -10.540 -1.574 569 HG LEU 73 HG LEU 73 -8.236 -9.195 0.758 570 HD11 LEU 73 1HD1 LEU 73 -9.069 -7.402 -0.784 571 HD12 LEU 73 2HD1 LEU 73 -9.896 -7.435 0.770 572 HD13 LEU 73 3HD1 LEU 73 -10.679 -8.105 -0.662 573 HD21 LEU 73 1HD2 LEU 73 -10.542 -9.646 1.718 574 HD22 LEU 73 2HD2 LEU 73 -9.647 -11.091 1.254 575 HD23 LEU 73 3HD2 LEU 73 -10.933 -10.478 0.215 576 H GLU 74 H GLU 74 -6.791 -10.779 -3.278 577 HA GLU 74 HA GLU 74 -6.400 -13.511 -4.002 578 HB2 GLU 74 2HB GLU 74 -8.916 -13.548 -3.778 579 HB3 GLU 74 1HB GLU 74 -9.001 -12.314 -5.037 580 HG2 GLU 74 2HG GLU 74 -7.776 -13.849 -6.574 581 HG3 GLU 74 1HG GLU 74 -7.816 -15.091 -5.322 582 H TRP 75 H TRP 75 -5.619 -13.610 -6.215 583 HA TRP 75 HA TRP 75 -5.091 -10.908 -7.356 584 HB2 TRP 75 2HB TRP 75 -3.204 -11.994 -8.527 585 HB3 TRP 75 1HB TRP 75 -3.092 -12.214 -6.779 586 HD1 TRP 75 HD TRP 75 -3.938 -14.626 -5.814 587 HE1 TRP 75 1HE TRP 75 -3.823 -16.963 -6.898 588 HE3 TRP 75 3HE TRP 75 -3.254 -13.301 -10.697 589 HZ2 TRP 75 2HZ TRP 75 -3.484 -18.116 -9.493 590 HZ3 TRP 75 3HZ TRP 75 -3.037 -15.036 -12.453 591 HH2 TRP 75 HH TRP 75 -3.151 -17.440 -11.858 592 H ASP 76 H ASP 76 -6.175 -10.367 -9.173 593 HA ASP 76 HA ASP 76 -7.363 -12.560 -10.803 594 HB2 ASP 76 2HB ASP 76 -8.522 -10.238 -9.773 595 HB3 ASP 76 1HB ASP 76 -8.256 -9.868 -11.479 596 HA PRO 77 HA PRO 77 -4.124 -12.107 -13.857 597 HB2 PRO 77 2HB PRO 77 -6.555 -11.985 -15.630 598 HB3 PRO 77 1HB PRO 77 -5.024 -12.843 -15.894 599 HG2 PRO 77 2HG PRO 77 -7.203 -14.090 -14.963 600 HG3 PRO 77 1HG PRO 77 -5.566 -14.541 -14.460 601 HD2 PRO 77 2HD PRO 77 -7.689 -13.275 -12.881 602 HD3 PRO 77 1HD PRO 77 -6.175 -14.020 -12.318 603 HA PRO 78 HA PRO 78 -3.192 -7.879 -14.661 604 HB2 PRO 78 2HB PRO 78 -3.550 -8.635 -17.547 605 HB3 PRO 78 1HB PRO 78 -2.259 -7.682 -16.788 606 HG2 PRO 78 2HG PRO 78 -2.029 -10.327 -17.410 607 HG3 PRO 78 1HG PRO 78 -1.110 -9.522 -16.130 608 HD2 PRO 78 2HD PRO 78 -3.137 -11.571 -15.845 609 HD3 PRO 78 1HD PRO 78 -2.168 -10.803 -14.569 610 H HIS 79 H HIS 79 -5.413 -7.411 -13.763 611 HA HIS 79 HA HIS 79 -6.869 -5.668 -15.467 612 HB2 HIS 79 2HB HIS 79 -7.542 -8.123 -16.230 613 HB3 HIS 79 1HB HIS 79 -8.594 -8.021 -14.815 614 HD1 HIS 79 1HD HIS 79 -9.265 -5.005 -14.935 615 HD2 HIS 79 2HD HIS 79 -9.413 -7.542 -18.243 616 HE1 HIS 79 1HE HIS 79 -10.803 -3.900 -16.612 617 HE2 HIS 79 2HE HIS 79 -10.915 -5.442 -18.627 618 H ARG 80 H ARG 80 -7.138 -7.866 -12.619 619 HA ARG 80 HA ARG 80 -7.976 -5.496 -11.069 620 HB2 ARG 80 2HB ARG 80 -10.111 -6.312 -11.909 621 HB3 ARG 80 1HB ARG 80 -9.743 -7.938 -11.327 622 HG2 ARG 80 2HG ARG 80 -9.759 -7.194 -9.033 623 HG3 ARG 80 1HG ARG 80 -9.884 -5.505 -9.531 624 HD2 ARG 80 2HD ARG 80 -12.089 -6.198 -8.910 625 HD3 ARG 80 1HD ARG 80 -12.065 -6.119 -10.669 626 HE ARG 80 HE ARG 80 -11.377 -8.764 -9.986 627 HH11 ARG 80 1HH1 ARG 80 -12.955 -10.380 -9.968 628 HH12 ARG 80 2HH1 ARG 80 -14.622 -9.943 -9.792 629 HH21 ARG 80 1HH2 ARG 80 -13.983 -6.541 -9.596 630 HH22 ARG 80 2HH2 ARG 80 -15.203 -7.770 -9.581 631 H LEU 81 H LEU 81 -7.442 -5.613 -8.929 632 HA LEU 81 HA LEU 81 -6.669 -8.243 -7.795 633 HB2 LEU 81 2HB LEU 81 -4.929 -5.779 -7.859 634 HB3 LEU 81 1HB LEU 81 -4.649 -7.120 -6.753 635 HG LEU 81 HG LEU 81 -4.995 -8.260 -9.315 636 HD11 LEU 81 1HD1 LEU 81 -3.174 -7.105 -10.560 637 HD12 LEU 81 2HD1 LEU 81 -3.151 -5.867 -9.304 638 HD13 LEU 81 3HD1 LEU 81 -4.587 -6.081 -10.303 639 HD21 LEU 81 1HD2 LEU 81 -3.564 -9.225 -7.643 640 HD22 LEU 81 2HD2 LEU 81 -2.597 -7.755 -7.543 641 HD23 LEU 81 3HD2 LEU 81 -2.523 -8.758 -8.989 642 H ALA 82 H ALA 82 -7.568 -8.461 -5.819 643 HA ALA 82 HA ALA 82 -8.483 -5.987 -4.398 644 HB1 ALA 82 1HB ALA 82 -10.428 -7.250 -4.647 645 HB2 ALA 82 2HB ALA 82 -9.842 -7.870 -3.103 646 HB3 ALA 82 3HB ALA 82 -9.561 -8.783 -4.585 647 H MET 83 H MET 83 -7.969 -5.888 -2.050 648 HA MET 83 HA MET 83 -6.198 -8.042 -1.112 649 HB2 MET 83 2HB MET 83 -4.685 -5.896 -0.364 650 HB3 MET 83 1HB MET 83 -4.368 -6.898 -1.782 651 HG2 MET 83 2HG MET 83 -5.648 -5.390 -3.197 652 HG3 MET 83 1HG MET 83 -6.135 -4.434 -1.797 653 HE1 MET 83 1HE MET 83 -3.606 -5.487 -4.276 654 HE2 MET 83 2HE MET 83 -2.597 -6.022 -2.934 655 HE3 MET 83 3HE MET 83 -2.097 -4.641 -3.907 656 H THR 84 H THR 84 -6.048 -8.263 1.123 657 HA THR 84 HA THR 84 -7.796 -6.403 2.699 658 HB THR 84 HB THR 84 -6.858 -9.245 3.182 659 HG1 THR 84 1HG THR 84 -9.454 -8.559 3.616 660 HG21 THR 84 1HG2 THR 84 -8.069 -7.260 5.114 661 HG22 THR 84 2HG2 THR 84 -6.579 -8.184 5.305 662 HG23 THR 84 3HG2 THR 84 -8.139 -9.005 5.370 663 H TRP 85 H TRP 85 -6.845 -5.458 4.657 664 HA TRP 85 HA TRP 85 -3.870 -5.399 4.498 665 HB2 TRP 85 2HB TRP 85 -5.950 -3.478 5.455 666 HB3 TRP 85 1HB TRP 85 -4.328 -3.384 6.144 667 HD1 TRP 85 HD TRP 85 -4.738 -4.506 2.544 668 HE1 TRP 85 1HE TRP 85 -3.784 -2.695 0.980 669 HE3 TRP 85 3HE TRP 85 -3.904 -0.769 5.924 670 HZ2 TRP 85 2HZ TRP 85 -2.798 -0.017 1.138 671 HZ3 TRP 85 3HZ TRP 85 -2.956 1.399 5.189 672 HH2 TRP 85 HH TRP 85 -2.402 1.780 2.803 673 H ARG 86 H ARG 86 -2.644 -6.334 6.067 674 HA ARG 86 HA ARG 86 -3.998 -7.054 8.642 675 HB2 ARG 86 2HB ARG 86 -3.247 -9.006 7.312 676 HB3 ARG 86 1HB ARG 86 -1.607 -8.363 7.307 677 HG2 ARG 86 2HG ARG 86 -1.573 -8.470 9.782 678 HG3 ARG 86 1HG ARG 86 -3.200 -9.154 9.764 679 HD2 ARG 86 2HD ARG 86 -2.355 -11.045 8.380 680 HD3 ARG 86 1HD ARG 86 -0.726 -10.384 8.515 681 HE ARG 86 HE ARG 86 -1.398 -10.621 11.131 682 HH11 ARG 86 1HH1 ARG 86 -1.243 -12.511 12.362 683 HH12 ARG 86 2HH1 ARG 86 -1.373 -14.051 11.581 684 HH21 ARG 86 1HH2 ARG 86 -1.803 -12.708 8.413 685 HH22 ARG 86 2HH2 ARG 86 -1.691 -14.162 9.348 686 H ILE 87 H ILE 87 -3.458 -5.230 9.868 687 HA ILE 87 HA ILE 87 -0.594 -4.979 10.573 688 HB ILE 87 HB ILE 87 -1.194 -3.312 8.697 689 HG12 ILE 87 2HG1 ILE 87 -0.250 -2.129 11.324 690 HG13 ILE 87 1HG1 ILE 87 0.758 -3.166 10.314 691 HG21 ILE 87 1HG2 ILE 87 -2.612 -1.529 9.154 692 HG22 ILE 87 2HG2 ILE 87 -2.396 -1.672 10.898 693 HG23 ILE 87 3HG2 ILE 87 -3.422 -2.821 10.040 694 HD11 ILE 87 1HD1 ILE 87 -0.596 -0.773 9.101 695 HD12 ILE 87 2HD1 ILE 87 0.878 -1.591 8.591 696 HD13 ILE 87 3HD1 ILE 87 0.895 -0.563 10.019 697 H ASP 88 H ASP 88 -0.310 -3.799 12.622 698 HA ASP 88 HA ASP 88 -2.800 -3.857 14.269 699 HB2 ASP 88 2HB ASP 88 -1.046 -5.395 15.032 700 HB3 ASP 88 1HB ASP 88 0.078 -4.048 15.163 701 H GLY 89 H GLY 89 -2.619 -2.265 16.181 702 HA2 GLY 89 2HA GLY 89 -2.641 0.383 15.162 703 HA3 GLY 89 1HA GLY 89 -2.612 -0.027 16.877 704 H HIS 90 H HIS 90 -0.043 -1.387 16.847 705 HA HIS 90 HA HIS 90 1.694 1.018 16.498 706 HB2 HIS 90 2HB HIS 90 1.310 -0.620 18.712 707 HB3 HIS 90 1HB HIS 90 2.853 -1.160 18.055 708 HD1 HIS 90 1HD HIS 90 2.146 0.820 20.642 709 HD2 HIS 90 2HD HIS 90 3.951 1.801 17.009 710 HE1 HIS 90 1HE HIS 90 3.469 2.944 21.049 711 HE2 HIS 90 2HE HIS 90 4.573 3.548 18.846 712 H TRP 91 H TRP 91 1.177 -0.549 14.201 713 HA TRP 91 HA TRP 91 2.318 -1.655 12.480 714 HB2 TRP 91 2HB TRP 91 4.542 -0.350 14.040 715 HB3 TRP 91 1HB TRP 91 4.881 -1.324 12.614 716 HD1 TRP 91 HD TRP 91 3.142 -0.612 10.443 717 HE1 TRP 91 1HE TRP 91 2.693 1.778 9.593 718 HE3 TRP 91 3HE TRP 91 4.530 2.068 14.550 719 HZ2 TRP 91 2HZ TRP 91 2.905 4.460 10.540 720 HZ3 TRP 91 3HZ TRP 91 4.404 4.539 14.555 721 HH2 TRP 91 HH TRP 91 3.590 5.745 12.547 722 H GLN 92 H GLN 92 1.547 -3.284 14.702 723 HA GLN 92 HA GLN 92 3.805 -5.247 14.790 724 HB2 GLN 92 2HB GLN 92 1.472 -4.972 16.712 725 HB3 GLN 92 1HB GLN 92 2.799 -6.126 16.848 726 HG2 GLN 92 2HG GLN 92 4.405 -4.237 17.009 727 HG3 GLN 92 1HG GLN 92 3.051 -3.111 16.925 728 HE21 GLN 92 1HE2 GLN 92 4.737 -3.148 19.220 729 HE22 GLN 92 2HE2 GLN 92 3.846 -3.741 20.539 730 H SER 93 H SER 93 3.150 -7.527 14.622 731 HA SER 93 HA SER 93 0.730 -7.823 12.901 732 HB2 SER 93 2HB SER 93 2.940 -8.526 11.955 733 HB3 SER 93 1HB SER 93 3.070 -9.723 13.244 734 HG SER 93 HG SER 93 2.155 -10.509 11.236 735 H VAL 94 H VAL 94 -0.888 -9.245 13.486 736 HA VAL 94 HA VAL 94 -0.499 -10.819 15.999 737 HB VAL 94 HB VAL 94 -3.121 -10.238 16.174 738 HG11 VAL 94 1HG1 VAL 94 -1.873 -9.750 18.066 739 HG12 VAL 94 2HG1 VAL 94 -2.243 -8.117 17.510 740 HG13 VAL 94 3HG1 VAL 94 -0.669 -8.832 17.161 741 HG21 VAL 94 1HG2 VAL 94 -2.627 -8.761 14.020 742 HG22 VAL 94 2HG2 VAL 94 -2.078 -7.597 15.226 743 HG23 VAL 94 3HG2 VAL 94 -3.736 -8.196 15.268 744 HA PRO 95 HA PRO 95 -2.049 -14.334 13.856 745 HB2 PRO 95 2HB PRO 95 -4.095 -15.115 15.646 746 HB3 PRO 95 1HB PRO 95 -2.408 -15.655 15.671 747 HG2 PRO 95 2HG PRO 95 -3.757 -13.600 17.309 748 HG3 PRO 95 1HG PRO 95 -2.381 -14.642 17.703 749 HD2 PRO 95 2HD PRO 95 -2.078 -11.998 17.163 750 HD3 PRO 95 1HD PRO 95 -0.835 -13.198 16.742 751 H ASP 96 H ASP 96 -4.518 -12.145 15.157 752 HA ASP 96 HA ASP 96 -5.941 -12.280 12.566 753 HB2 ASP 96 2HB ASP 96 -7.253 -12.853 15.233 754 HB3 ASP 96 1HB ASP 96 -8.134 -12.559 13.734 755 H ASP 97 H ASP 97 -7.090 -10.332 12.136 756 HA ASP 97 HA ASP 97 -6.524 -8.145 14.075 757 HB2 ASP 97 2HB ASP 97 -7.078 -8.140 11.101 758 HB3 ASP 97 1HB ASP 97 -6.973 -6.675 12.078 759 H ASP 98 H ASP 98 -8.248 -7.566 15.291 760 HA ASP 98 HA ASP 98 -10.966 -8.301 14.554 761 HB2 ASP 98 2HB ASP 98 -9.854 -6.581 16.779 762 HB3 ASP 98 1HB ASP 98 -11.554 -7.011 16.620 763 H ARG 99 H ARG 99 -8.884 -5.583 14.152 764 HA ARG 99 HA ARG 99 -11.148 -3.881 13.254 765 HB2 ARG 99 2HB ARG 99 -9.318 -2.073 13.341 766 HB3 ARG 99 1HB ARG 99 -9.877 -2.714 14.887 767 HG2 ARG 99 2HG ARG 99 -7.953 -4.299 14.887 768 HG3 ARG 99 1HG ARG 99 -7.379 -3.569 13.388 769 HD2 ARG 99 2HD ARG 99 -6.167 -2.522 15.177 770 HD3 ARG 99 1HD ARG 99 -7.354 -1.348 14.618 771 HE ARG 99 HE ARG 99 -8.479 -2.892 16.752 772 HH11 ARG 99 1HH1 ARG 99 -8.623 -1.921 18.789 773 HH12 ARG 99 2HH1 ARG 99 -7.641 -0.540 19.146 774 HH21 ARG 99 1HH2 ARG 99 -6.132 -0.475 16.025 775 HH22 ARG 99 2HH2 ARG 99 -6.231 0.279 17.581 776 H ALA 100 H ALA 100 -10.107 -6.047 11.619 777 HA ALA 100 HA ALA 100 -8.404 -4.758 9.596 778 HB1 ALA 100 1HB ALA 100 -9.116 -7.466 10.326 779 HB2 ALA 100 2HB ALA 100 -7.781 -6.903 9.318 780 HB3 ALA 100 3HB ALA 100 -9.362 -7.211 8.599 781 H SER 101 H SER 101 -9.069 -4.400 7.425 782 HA SER 101 HA SER 101 -12.013 -4.479 6.934 783 HB2 SER 101 2HB SER 101 -11.942 -2.262 5.958 784 HB3 SER 101 1HB SER 101 -11.240 -2.166 7.570 785 HG SER 101 HG SER 101 -9.182 -2.619 6.319 786 H GLU 102 H GLU 102 -12.424 -4.150 4.481 787 HA GLU 102 HA GLU 102 -10.333 -5.688 2.999 788 HB2 GLU 102 2HB GLU 102 -13.295 -5.385 2.428 789 HB3 GLU 102 1HB GLU 102 -12.164 -6.352 1.480 790 HG2 GLU 102 2HG GLU 102 -11.656 -7.701 3.509 791 HG3 GLU 102 1HG GLU 102 -12.863 -6.774 4.400 792 H ILE 103 H ILE 103 -9.569 -4.906 1.032 793 HA ILE 103 HA ILE 103 -10.519 -2.175 0.255 794 HB ILE 103 HB ILE 103 -7.720 -3.315 0.000 795 HG12 ILE 103 2HG1 ILE 103 -8.789 -1.173 1.866 796 HG13 ILE 103 1HG1 ILE 103 -8.431 -2.832 2.350 797 HG21 ILE 103 1HG2 ILE 103 -7.874 -0.464 -0.171 798 HG22 ILE 103 2HG2 ILE 103 -9.050 -1.145 -1.294 799 HG23 ILE 103 3HG2 ILE 103 -7.352 -1.604 -1.411 800 HD11 ILE 103 1HD1 ILE 103 -6.397 -1.895 2.870 801 HD12 ILE 103 2HD1 ILE 103 -6.568 -0.608 1.676 802 HD13 ILE 103 3HD1 ILE 103 -6.091 -2.227 1.166 803 H GLU 104 H GLU 104 -10.989 -1.887 -1.900 804 HA GLU 104 HA GLU 104 -10.621 -4.275 -3.668 805 HB2 GLU 104 2HB GLU 104 -12.655 -2.026 -3.848 806 HB3 GLU 104 1HB GLU 104 -12.541 -3.399 -4.952 807 HG2 GLU 104 2HG GLU 104 -12.921 -4.940 -3.039 808 HG3 GLU 104 1HG GLU 104 -13.111 -3.544 -1.977 809 H VAL 105 H VAL 105 -9.104 -3.990 -5.222 810 HA VAL 105 HA VAL 105 -8.635 -1.225 -6.233 811 HB VAL 105 HB VAL 105 -6.509 -3.336 -5.828 812 HG11 VAL 105 1HG1 VAL 105 -6.273 -0.358 -6.340 813 HG12 VAL 105 2HG1 VAL 105 -6.159 -1.581 -7.605 814 HG13 VAL 105 3HG1 VAL 105 -4.962 -1.538 -6.311 815 HG21 VAL 105 1HG2 VAL 105 -7.698 -1.360 -3.993 816 HG22 VAL 105 2HG2 VAL 105 -5.938 -1.290 -4.089 817 HG23 VAL 105 3HG2 VAL 105 -6.738 -2.794 -3.632 818 H ASP 106 H ASP 106 -8.590 -1.063 -8.458 819 HA ASP 106 HA ASP 106 -8.652 -3.640 -9.982 820 HB2 ASP 106 2HB ASP 106 -9.987 -0.992 -10.618 821 HB3 ASP 106 1HB ASP 106 -9.995 -2.405 -11.679 822 H PHE 107 H PHE 107 -7.070 -3.886 -11.512 823 HA PHE 107 HA PHE 107 -5.428 -1.483 -12.191 824 HB2 PHE 107 2HB PHE 107 -4.688 -4.413 -11.995 825 HB3 PHE 107 1HB PHE 107 -3.623 -3.172 -12.644 826 HD1 PHE 107 1HD PHE 107 -5.562 -4.131 -9.611 827 HD2 PHE 107 2HD PHE 107 -2.327 -1.807 -11.212 828 HE1 PHE 107 1HE PHE 107 -4.820 -3.585 -7.313 829 HE2 PHE 107 2HE PHE 107 -1.586 -1.252 -8.910 830 HZ PHE 107 HZ PHE 107 -2.828 -2.146 -6.958 831 H VAL 108 H VAL 108 -5.507 -0.897 -14.317 832 HA VAL 108 HA VAL 108 -6.295 -2.976 -16.312 833 HB VAL 108 HB VAL 108 -6.995 -0.125 -16.803 834 HG11 VAL 108 1HG1 VAL 108 -8.347 -2.787 -17.335 835 HG12 VAL 108 2HG1 VAL 108 -7.429 -1.836 -18.503 836 HG13 VAL 108 3HG1 VAL 108 -8.955 -1.220 -17.869 837 HG21 VAL 108 1HG2 VAL 108 -7.820 -0.271 -14.575 838 HG22 VAL 108 2HG2 VAL 108 -8.344 -1.940 -14.798 839 HG23 VAL 108 3HG2 VAL 108 -9.211 -0.630 -15.597 840 HA PRO 109 HA PRO 109 -2.419 -1.440 -18.061 841 HB2 PRO 109 2HB PRO 109 -2.283 -3.073 -20.215 842 HB3 PRO 109 1HB PRO 109 -1.960 -3.651 -18.568 843 HG2 PRO 109 2HG PRO 109 -4.404 -3.953 -20.233 844 HG3 PRO 109 1HG PRO 109 -3.627 -5.116 -19.147 845 HD2 PRO 109 2HD PRO 109 -5.851 -3.634 -18.459 846 HD3 PRO 109 1HD PRO 109 -4.688 -4.282 -17.279 847 H ASN 110 H ASN 110 -2.287 0.418 -19.180 848 HA ASN 110 HA ASN 110 -4.015 0.760 -21.579 849 HB2 ASN 110 2HB ASN 110 -4.534 2.260 -19.595 850 HB3 ASN 110 1HB ASN 110 -2.948 2.985 -19.848 851 HD21 ASN 110 1HD2 ASN 110 -4.394 4.990 -20.288 852 HD22 ASN 110 2HD2 ASN 110 -4.956 5.200 -21.875 853 H GLY 111 H GLY 111 -2.892 0.978 -23.454 854 HA2 GLY 111 2HA GLY 111 -1.040 1.196 -24.883 855 HA3 GLY 111 1HA GLY 111 -0.587 2.543 -23.839 856 H SER 112 H SER 112 1.467 1.123 -24.872 857 HA SER 112 HA SER 112 2.302 -1.145 -23.336 858 HB2 SER 112 2HB SER 112 4.498 -0.753 -24.288 859 HB3 SER 112 1HB SER 112 3.298 -0.421 -25.533 860 HG SER 112 HG SER 112 4.392 1.553 -23.812 861 H GLY 113 H GLY 113 2.271 2.265 -22.682 862 HA2 GLY 113 2HA GLY 113 3.599 1.708 -20.069 863 HA3 GLY 113 1HA GLY 113 4.106 3.100 -21.030 864 H GLY 114 H GLY 114 0.826 1.811 -20.339 865 HA2 GLY 114 2HA GLY 114 0.227 4.374 -18.942 866 HA3 GLY 114 1HA GLY 114 -0.854 3.799 -20.209 867 H THR 115 H THR 115 -0.890 4.029 -17.038 868 HA THR 115 HA THR 115 -2.218 1.377 -16.685 869 HB THR 115 HB THR 115 -1.193 2.237 -14.170 870 HG1 THR 115 1HG THR 115 0.742 2.893 -14.572 871 HG21 THR 115 1HG2 THR 115 -0.775 -0.093 -16.011 872 HG22 THR 115 2HG2 THR 115 -1.385 -0.055 -14.358 873 HG23 THR 115 3HG2 THR 115 0.339 0.130 -14.668 874 H ARG 116 H ARG 116 -4.218 1.525 -15.871 875 HA ARG 116 HA ARG 116 -5.023 4.086 -14.542 876 HB2 ARG 116 2HB ARG 116 -6.176 3.605 -16.722 877 HB3 ARG 116 1HB ARG 116 -6.819 2.128 -15.992 878 HG2 ARG 116 2HG ARG 116 -8.019 3.367 -14.329 879 HG3 ARG 116 1HG ARG 116 -7.192 4.867 -14.760 880 HD2 ARG 116 2HD ARG 116 -8.221 4.808 -16.979 881 HD3 ARG 116 1HD ARG 116 -9.042 3.303 -16.572 882 HE ARG 116 HE ARG 116 -10.602 4.558 -15.308 883 HH11 ARG 116 1HH1 ARG 116 -11.449 6.505 -14.534 884 HH12 ARG 116 2HH1 ARG 116 -10.488 7.944 -14.613 885 HH21 ARG 116 1HH2 ARG 116 -7.768 6.364 -16.075 886 HH22 ARG 116 2HH2 ARG 116 -8.404 7.864 -15.486 887 H VAL 117 H VAL 117 -5.238 3.735 -12.367 888 HA VAL 117 HA VAL 117 -6.166 1.024 -11.510 889 HB VAL 117 HB VAL 117 -4.179 2.827 -10.110 890 HG11 VAL 117 1HG1 VAL 117 -5.539 1.559 -8.521 891 HG12 VAL 117 2HG1 VAL 117 -3.923 0.857 -8.598 892 HG13 VAL 117 3HG1 VAL 117 -5.265 0.074 -9.434 893 HG21 VAL 117 1HG2 VAL 117 -2.717 1.844 -11.534 894 HG22 VAL 117 2HG2 VAL 117 -3.939 0.716 -12.120 895 HG23 VAL 117 3HG2 VAL 117 -3.029 0.346 -10.655 896 H GLU 118 H GLU 118 -7.743 0.923 -9.998 897 HA GLU 118 HA GLU 118 -8.733 3.524 -8.885 898 HB2 GLU 118 2HB GLU 118 -10.328 1.031 -9.581 899 HB3 GLU 118 1HB GLU 118 -10.989 2.511 -8.885 900 HG2 GLU 118 2HG GLU 118 -10.222 3.771 -10.879 901 HG3 GLU 118 1HG GLU 118 -9.628 2.268 -11.583 902 H LEU 119 H LEU 119 -7.817 3.445 -6.836 903 HA LEU 119 HA LEU 119 -8.049 0.892 -5.327 904 HB2 LEU 119 2HB LEU 119 -5.803 2.009 -5.538 905 HB3 LEU 119 1HB LEU 119 -6.451 3.364 -4.617 906 HG LEU 119 HG LEU 119 -6.863 0.683 -3.410 907 HD11 LEU 119 1HD1 LEU 119 -4.571 0.541 -2.571 908 HD12 LEU 119 2HD1 LEU 119 -4.129 1.993 -3.469 909 HD13 LEU 119 3HD1 LEU 119 -4.556 0.517 -4.334 910 HD21 LEU 119 1HD2 LEU 119 -5.595 3.027 -2.052 911 HD22 LEU 119 2HD2 LEU 119 -6.778 1.880 -1.430 912 HD23 LEU 119 3HD2 LEU 119 -7.288 3.164 -2.522 913 H ALA 120 H ALA 120 -9.558 0.738 -3.744 914 HA ALA 120 HA ALA 120 -10.575 3.272 -2.529 915 HB1 ALA 120 1HB ALA 120 -12.037 1.782 -4.308 916 HB2 ALA 120 2HB ALA 120 -12.736 2.807 -3.053 917 HB3 ALA 120 3HB ALA 120 -12.530 1.080 -2.766 918 H HIS 121 H HIS 121 -10.012 3.150 -0.407 919 HA HIS 121 HA HIS 121 -10.047 0.478 0.922 920 HB2 HIS 121 2HB HIS 121 -8.476 1.283 2.436 921 HB3 HIS 121 1HB HIS 121 -8.043 2.229 1.013 922 HD1 HIS 121 1HD HIS 121 -9.281 2.546 4.470 923 HD2 HIS 121 2HD HIS 121 -9.123 4.957 1.071 924 HE1 HIS 121 1HE HIS 121 -9.700 4.921 5.256 925 HE2 HIS 121 2HE HIS 121 -9.610 6.395 3.193 926 H VAL 122 H VAL 122 -11.751 0.058 2.294 927 HA VAL 122 HA VAL 122 -13.354 2.410 3.195 928 HB VAL 122 HB VAL 122 -15.386 1.065 2.790 929 HG11 VAL 122 1HG1 VAL 122 -13.938 0.941 0.197 930 HG12 VAL 122 2HG1 VAL 122 -13.978 2.507 1.008 931 HG13 VAL 122 3HG1 VAL 122 -15.484 1.692 0.589 932 HG21 VAL 122 1HG2 VAL 122 -13.552 -1.057 2.702 933 HG22 VAL 122 2HG2 VAL 122 -14.089 -0.870 1.033 934 HG23 VAL 122 3HG2 VAL 122 -15.270 -1.148 2.313 935 H LYS 123 H LYS 123 -14.543 2.195 5.082 936 HA LYS 123 HA LYS 123 -14.893 1.599 7.295 937 HB2 LYS 123 2HB LYS 123 -14.555 -1.092 5.973 938 HB3 LYS 123 1HB LYS 123 -14.900 -0.942 7.697 939 HG2 LYS 123 2HG LYS 123 -17.019 -1.171 6.557 940 HG3 LYS 123 1HG LYS 123 -16.883 0.506 7.085 941 HD2 LYS 123 2HD LYS 123 -16.254 1.231 4.879 942 HD3 LYS 123 1HD LYS 123 -16.084 -0.433 4.321 943 HE2 LYS 123 2HE LYS 123 -18.671 0.820 5.269 944 HE3 LYS 123 1HE LYS 123 -18.197 0.659 3.576 945 HZ1 LYS 123 1HZ LYS 123 -18.429 -1.603 3.628 946 HZ2 LYS 123 2HZ LYS 123 -19.650 -1.159 4.723 947 HZ3 LYS 123 3HZ LYS 123 -18.152 -1.721 5.297 948 H LEU 124 H LEU 124 -12.176 2.286 6.458 949 HA LEU 124 HA LEU 124 -10.335 0.550 7.884 950 HB2 LEU 124 2HB LEU 124 -10.042 2.559 6.045 951 HB3 LEU 124 1HB LEU 124 -9.590 3.376 7.541 952 HG LEU 124 HG LEU 124 -8.092 1.387 8.043 953 HD11 LEU 124 1HD1 LEU 124 -8.119 -0.386 6.656 954 HD12 LEU 124 2HD1 LEU 124 -7.731 0.649 5.282 955 HD13 LEU 124 3HD1 LEU 124 -9.413 0.387 5.740 956 HD21 LEU 124 1HD2 LEU 124 -7.578 3.083 5.587 957 HD22 LEU 124 2HD2 LEU 124 -6.335 2.161 6.433 958 HD23 LEU 124 3HD2 LEU 124 -7.160 3.487 7.251 959 H HIS 125 H HIS 125 -12.215 3.435 8.574 960 HA HIS 125 HA HIS 125 -11.174 4.405 10.936 961 HB2 HIS 125 2HB HIS 125 -13.068 5.523 10.118 962 HB3 HIS 125 1HB HIS 125 -14.015 4.039 10.042 963 HD1 HIS 125 1HD HIS 125 -12.027 5.527 12.940 964 HD2 HIS 125 2HD HIS 125 -15.919 4.336 12.026 965 HE1 HIS 125 1HE HIS 125 -13.375 5.778 15.071 966 HE2 HIS 125 2HE HIS 125 -15.745 5.061 14.526 967 H ARG 126 H ARG 126 -12.294 1.226 10.466 968 HA ARG 126 HA ARG 126 -13.357 0.537 12.974 969 HB2 ARG 126 2HB ARG 126 -11.513 -1.009 11.156 970 HB3 ARG 126 1HB ARG 126 -12.252 -1.713 12.592 971 HG2 ARG 126 2HG ARG 126 -14.478 -1.222 11.721 972 HG3 ARG 126 1HG ARG 126 -13.779 -0.441 10.307 973 HD2 ARG 126 2HD ARG 126 -12.611 -2.614 9.790 974 HD3 ARG 126 1HD ARG 126 -13.553 -3.358 11.082 975 HE ARG 126 HE ARG 126 -15.190 -1.957 9.105 976 HH11 ARG 126 1HH1 ARG 126 -16.542 -3.282 7.869 977 HH12 ARG 126 2HH1 ARG 126 -16.288 -4.995 7.868 978 HH21 ARG 126 1HH2 ARG 126 -13.584 -4.863 10.035 979 HH22 ARG 126 2HH2 ARG 126 -14.613 -5.891 9.093 980 H HIS 127 H HIS 127 -10.006 1.179 12.058 981 HA HIS 127 HA HIS 127 -8.965 0.255 14.611 982 HB2 HIS 127 2HB HIS 127 -6.937 1.743 13.854 983 HB3 HIS 127 1HB HIS 127 -7.273 0.232 13.021 984 HD1 HIS 127 1HD HIS 127 -9.311 3.358 12.443 985 HD2 HIS 127 2HD HIS 127 -6.348 1.133 10.529 986 HE1 HIS 127 1HE HIS 127 -9.103 4.289 10.095 987 HE2 HIS 127 2HE HIS 127 -7.309 2.946 8.925 988 H GLY 128 H GLY 128 -10.522 3.125 13.565 989 HA2 GLY 128 2HA GLY 128 -11.333 4.810 15.038 990 HA3 GLY 128 1HA GLY 128 -10.237 4.217 16.282 991 H ASP 129 H ASP 129 -10.013 6.696 16.410 992 HA ASP 129 HA ASP 129 -8.541 8.107 14.385 993 HB2 ASP 129 2HB ASP 129 -8.858 8.624 17.356 994 HB3 ASP 129 1HB ASP 129 -8.102 9.752 16.230 995 H GLY 130 H GLY 130 -6.306 8.657 14.361 996 HA2 GLY 130 2HA GLY 130 -4.031 8.496 15.172 997 HA3 GLY 130 1HA GLY 130 -4.530 7.155 16.213 998 H ALA 131 H ALA 131 -6.083 6.424 13.516 999 HA ALA 131 HA ALA 131 -4.349 4.299 12.751 1000 HB1 ALA 131 1HB ALA 131 -6.614 5.603 11.218 1001 HB2 ALA 131 2HB ALA 131 -6.767 4.250 12.335 1002 HB3 ALA 131 3HB ALA 131 -5.880 4.051 10.824 1003 H TRP 132 H TRP 132 -4.871 7.563 11.398 1004 HA TRP 132 HA TRP 132 -3.339 7.226 9.054 1005 HB2 TRP 132 2HB TRP 132 -4.648 9.314 9.713 1006 HB3 TRP 132 1HB TRP 132 -3.258 9.756 10.713 1007 HD1 TRP 132 HD TRP 132 -0.906 10.113 9.428 1008 HE1 TRP 132 1HE TRP 132 -0.411 10.845 7.007 1009 HE3 TRP 132 3HE TRP 132 -5.486 9.290 7.294 1010 HZ2 TRP 132 2HZ TRP 132 -1.768 11.050 4.509 1011 HZ3 TRP 132 3HZ TRP 132 -5.847 9.766 4.892 1012 HH2 TRP 132 HH TRP 132 -3.997 10.648 3.495 1013 H ASN 133 H ASN 133 -2.349 7.566 12.406 1014 HA ASN 133 HA ASN 133 0.398 8.184 12.024 1015 HB2 ASN 133 2HB ASN 133 -0.894 7.852 14.243 1016 HB3 ASN 133 1HB ASN 133 -0.593 6.130 14.018 1017 HD21 ASN 133 1HD2 ASN 133 1.299 5.415 14.994 1018 HD22 ASN 133 2HD2 ASN 133 2.670 6.372 15.291 1019 H ILE 134 H ILE 134 -1.376 5.118 11.906 1020 HA ILE 134 HA ILE 134 0.838 3.420 11.320 1021 HB ILE 134 HB ILE 134 -2.030 3.200 10.380 1022 HG12 ILE 134 2HG1 ILE 134 -0.676 1.990 12.809 1023 HG13 ILE 134 1HG1 ILE 134 -1.745 3.395 12.863 1024 HG21 ILE 134 1HG2 ILE 134 0.315 1.635 9.882 1025 HG22 ILE 134 2HG2 ILE 134 -1.328 1.376 9.297 1026 HG23 ILE 134 3HG2 ILE 134 -0.823 0.692 10.843 1027 HD11 ILE 134 1HD1 ILE 134 -3.081 1.370 11.370 1028 HD12 ILE 134 2HD1 ILE 134 -3.524 2.023 12.947 1029 HD13 ILE 134 3HD1 ILE 134 -2.462 0.619 12.841 1030 H HIS 135 H HIS 135 -1.354 5.343 9.331 1031 HA HIS 135 HA HIS 135 -0.286 4.635 6.770 1032 HB2 HIS 135 2HB HIS 135 -2.461 5.813 7.080 1033 HB3 HIS 135 1HB HIS 135 -1.584 7.242 7.622 1034 HD1 HIS 135 1HD HIS 135 0.589 6.022 5.208 1035 HD2 HIS 135 2HD HIS 135 -3.121 7.905 4.969 1036 HE1 HIS 135 1HE HIS 135 0.437 6.971 2.867 1037 HE2 HIS 135 2HE HIS 135 -1.838 8.101 2.696 1038 H LYS 136 H LYS 136 0.662 6.954 9.240 1039 HA LYS 136 HA LYS 136 2.393 8.600 7.761 1040 HB2 LYS 136 2HB LYS 136 1.837 8.793 10.238 1041 HB3 LYS 136 1HB LYS 136 3.030 7.534 10.511 1042 HG2 LYS 136 2HG LYS 136 4.741 8.914 9.430 1043 HG3 LYS 136 1HG LYS 136 3.555 10.188 9.179 1044 HD2 LYS 136 2HD LYS 136 3.189 10.233 11.669 1045 HD3 LYS 136 1HD LYS 136 4.543 9.114 11.833 1046 HE2 LYS 136 2HE LYS 136 4.581 11.990 11.398 1047 HE3 LYS 136 1HE LYS 136 5.898 10.915 11.866 1048 HZ1 LYS 136 1HZ LYS 136 6.496 11.790 9.790 1049 HZ2 LYS 136 2HZ LYS 136 4.944 11.554 9.137 1050 HZ3 LYS 136 3HZ LYS 136 5.946 10.219 9.458 1051 H ALA 137 H ALA 137 2.858 5.319 9.000 1052 HA ALA 137 HA ALA 137 5.653 5.133 8.262 1053 HB1 ALA 137 1HB ALA 137 5.003 3.393 9.688 1054 HB2 ALA 137 2HB ALA 137 5.014 2.591 8.120 1055 HB3 ALA 137 3HB ALA 137 3.490 3.125 8.820 1056 H LEU 138 H LEU 138 2.599 4.313 6.645 1057 HA LEU 138 HA LEU 138 3.832 3.362 4.218 1058 HB2 LEU 138 2HB LEU 138 1.057 4.523 4.611 1059 HB3 LEU 138 1HB LEU 138 1.590 3.532 3.257 1060 HG LEU 138 HG LEU 138 1.442 2.668 6.158 1061 HD11 LEU 138 1HD1 LEU 138 -0.445 1.434 5.577 1062 HD12 LEU 138 2HD1 LEU 138 -0.016 1.390 3.868 1063 HD13 LEU 138 3HD1 LEU 138 -0.661 2.869 4.577 1064 HD21 LEU 138 1HD2 LEU 138 1.902 0.387 4.886 1065 HD22 LEU 138 2HD2 LEU 138 3.244 1.428 5.363 1066 HD23 LEU 138 3HD2 LEU 138 2.658 1.451 3.700 1067 H ASP 139 H ASP 139 3.382 6.439 5.602 1068 HA ASP 139 HA ASP 139 3.885 8.585 4.852 1069 HB2 ASP 139 2HB ASP 139 5.451 6.817 3.046 1070 HB3 ASP 139 1HB ASP 139 5.255 8.492 2.550 1071 H GLY 140 H GLY 140 1.965 9.506 4.336 1072 HA2 GLY 140 2HA GLY 140 1.033 9.212 1.508 1073 HA3 GLY 140 1HA GLY 140 -0.091 9.395 2.854 1074 HA PRO 141 HA PRO 141 2.525 13.563 2.248 1075 HB2 PRO 141 2HB PRO 141 2.569 13.366 -0.725 1076 HB3 PRO 141 1HB PRO 141 3.797 14.006 0.382 1077 HG2 PRO 141 2HG PRO 141 4.089 11.645 -0.812 1078 HG3 PRO 141 1HG PRO 141 4.661 11.936 0.838 1079 HD2 PRO 141 2HD PRO 141 2.276 10.387 -0.079 1080 HD3 PRO 141 1HD PRO 141 3.310 10.132 1.344 1081 H SER 142 H SER 142 1.234 15.367 2.196 1082 HA SER 142 HA SER 142 -1.513 15.109 1.315 1083 HB2 SER 142 2HB SER 142 -0.068 16.791 3.048 1084 HB3 SER 142 1HB SER 142 -0.706 17.847 1.792 1085 HG SER 142 HG SER 142 -2.043 16.213 3.639 1086 HA PRO 143 HA PRO 143 0.117 18.425 -1.937 1087 HB2 PRO 143 2HB PRO 143 2.854 17.338 -2.324 1088 HB3 PRO 143 1HB PRO 143 2.310 19.025 -2.230 1089 HG2 PRO 143 2HG PRO 143 3.655 17.862 -0.237 1090 HG3 PRO 143 1HG PRO 143 2.388 19.065 0.059 1091 HD2 PRO 143 2HD PRO 143 2.280 16.093 0.392 1092 HD3 PRO 143 1HD PRO 143 1.488 17.366 1.349 1093 H GLY 144 H GLY 144 2.212 15.590 -2.551 1094 HA2 GLY 144 2HA GLY 144 0.757 15.133 -5.074 1095 HA3 GLY 144 1HA GLY 144 2.250 14.329 -4.580 1096 H GLU 145 H GLU 145 0.604 12.565 -5.512 1097 HA GLU 145 HA GLU 145 -0.887 11.426 -3.193 1098 HB2 GLU 145 2HB GLU 145 -1.315 10.981 -6.153 1099 HB3 GLU 145 1HB GLU 145 -2.232 10.198 -4.868 1100 HG2 GLU 145 2HG GLU 145 -2.073 13.195 -5.311 1101 HG3 GLU 145 1HG GLU 145 -3.428 12.172 -5.790 1102 H THR 146 H THR 146 -0.861 8.983 -3.156 1103 HA THR 146 HA THR 146 1.786 7.977 -3.153 1104 HB THR 146 HB THR 146 -0.824 6.473 -3.366 1105 HG1 THR 146 1HG THR 146 -0.802 6.509 -1.209 1106 HG21 THR 146 1HG2 THR 146 0.779 4.888 -3.959 1107 HG22 THR 146 2HG2 THR 146 0.694 4.692 -2.207 1108 HG23 THR 146 3HG2 THR 146 2.015 5.610 -2.928 1109 H LEU 147 H LEU 147 -0.729 7.823 -5.629 1110 HA LEU 147 HA LEU 147 0.718 6.079 -7.391 1111 HB2 LEU 147 2HB LEU 147 -1.418 8.133 -8.038 1112 HB3 LEU 147 1HB LEU 147 -0.884 6.828 -9.091 1113 HG LEU 147 HG LEU 147 -1.422 5.345 -6.938 1114 HD11 LEU 147 1HD1 LEU 147 -3.838 6.895 -6.571 1115 HD12 LEU 147 2HD1 LEU 147 -2.432 7.862 -6.134 1116 HD13 LEU 147 3HD1 LEU 147 -2.704 6.307 -5.360 1117 HD21 LEU 147 1HD2 LEU 147 -3.882 5.316 -7.959 1118 HD22 LEU 147 2HD2 LEU 147 -2.507 4.700 -8.877 1119 HD23 LEU 147 3HD2 LEU 147 -3.124 6.317 -9.196 1120 H ALA 148 H ALA 148 0.802 9.521 -6.783 1121 HA ALA 148 HA ALA 148 2.114 10.287 -9.228 1122 HB1 ALA 148 1HB ALA 148 2.779 12.009 -7.004 1123 HB2 ALA 148 2HB ALA 148 1.063 11.593 -6.979 1124 HB3 ALA 148 3HB ALA 148 1.767 12.347 -8.410 1125 H ARG 149 H ARG 149 3.430 9.678 -5.947 1126 HA ARG 149 HA ARG 149 6.117 10.283 -6.711 1127 HB2 ARG 149 2HB ARG 149 6.610 8.762 -4.619 1128 HB3 ARG 149 1HB ARG 149 5.855 10.340 -4.415 1129 HG2 ARG 149 2HG ARG 149 3.849 9.445 -3.802 1130 HG3 ARG 149 1HG ARG 149 4.001 8.103 -4.934 1131 HD2 ARG 149 2HD ARG 149 5.259 6.810 -3.458 1132 HD3 ARG 149 1HD ARG 149 5.811 8.215 -2.546 1133 HE ARG 149 HE ARG 149 3.120 8.232 -2.050 1134 HH11 ARG 149 1HH1 ARG 149 2.118 7.048 -0.405 1135 HH12 ARG 149 2HH1 ARG 149 2.861 5.594 0.172 1136 HH21 ARG 149 1HH2 ARG 149 5.572 5.810 -1.981 1137 HH22 ARG 149 2HH2 ARG 149 4.816 4.892 -0.721 1138 H PHE 150 H PHE 150 4.564 7.056 -6.273 1139 HA PHE 150 HA PHE 150 6.916 5.654 -7.155 1140 HB2 PHE 150 2HB PHE 150 5.722 3.775 -6.722 1141 HB3 PHE 150 1HB PHE 150 4.556 4.890 -6.006 1142 HD1 PHE 150 1HD PHE 150 2.936 6.018 -7.810 1143 HD2 PHE 150 2HD PHE 150 4.954 2.265 -8.276 1144 HE1 PHE 150 1HE PHE 150 1.242 5.316 -9.481 1145 HE2 PHE 150 2HE PHE 150 3.270 1.562 -9.953 1146 HZ PHE 150 HZ PHE 150 1.417 3.089 -10.552 1147 H ALA 151 H ALA 151 4.126 6.966 -8.873 1148 HA ALA 151 HA ALA 151 4.598 5.656 -11.371 1149 HB1 ALA 151 1HB ALA 151 3.328 7.618 -12.325 1150 HB2 ALA 151 2HB ALA 151 3.333 8.323 -10.709 1151 HB3 ALA 151 3HB ALA 151 2.506 6.794 -11.002 1152 H ASN 152 H ASN 152 5.708 8.788 -10.113 1153 HA ASN 152 HA ASN 152 7.125 9.591 -12.450 1154 HB2 ASN 152 2HB ASN 152 7.717 11.391 -11.210 1155 HB3 ASN 152 1HB ASN 152 6.654 10.709 -9.979 1156 HD21 ASN 152 1HD2 ASN 152 7.639 9.553 -8.193 1157 HD22 ASN 152 2HD2 ASN 152 9.304 9.654 -7.880 1158 H VAL 153 H VAL 153 8.133 7.631 -9.665 1159 HA VAL 153 HA VAL 153 10.892 7.395 -10.410 1160 HB VAL 153 HB VAL 153 9.199 5.310 -9.022 1161 HG11 VAL 153 1HG1 VAL 153 11.911 5.373 -9.808 1162 HG12 VAL 153 2HG1 VAL 153 11.124 4.190 -8.764 1163 HG13 VAL 153 3HG1 VAL 153 11.892 5.614 -8.061 1164 HG21 VAL 153 1HG2 VAL 153 8.901 6.838 -7.403 1165 HG22 VAL 153 2HG2 VAL 153 9.979 7.982 -8.201 1166 HG23 VAL 153 3HG2 VAL 153 10.639 6.759 -7.117 1167 H ILE 154 H ILE 154 8.004 5.545 -11.194 1168 HA ILE 154 HA ILE 154 9.355 3.563 -12.786 1169 HB ILE 154 HB ILE 154 6.473 4.448 -12.633 1170 HG12 ILE 154 2HG1 ILE 154 7.871 2.010 -11.533 1171 HG13 ILE 154 1HG1 ILE 154 7.504 3.445 -10.588 1172 HG21 ILE 154 1HG2 ILE 154 7.876 2.535 -14.386 1173 HG22 ILE 154 2HG2 ILE 154 6.323 3.338 -14.612 1174 HG23 ILE 154 3HG2 ILE 154 6.434 1.900 -13.597 1175 HD11 ILE 154 1HD1 ILE 154 5.122 3.169 -11.000 1176 HD12 ILE 154 2HD1 ILE 154 5.767 1.671 -10.330 1177 HD13 ILE 154 3HD1 ILE 154 5.432 1.794 -12.057 1178 HBB 96F 201 HBB SUM 155 -0.509 11.218 -0.814 1179 HBC 96F 201 HBC SUM 155 -1.054 11.315 0.878 1180 HBA 96F 201 HBA SUM 155 -2.249 11.227 -0.439 1181 HA2 96F 201 2HA SUM 155 -0.988 9.061 1.000 1182 HA1 96F 201 1HA SUM 155 -0.522 8.966 -0.714 1183 HAY 96F 201 HAY SUM 155 -4.050 10.215 0.488 1184 HAZ 96F 201 HAZ SUM 155 -3.134 9.272 1.689 1185 HA0 96F 201 0HA SUM 155 -4.448 8.502 0.771 1186 HBE 96F 201 HBE SUM 155 -2.510 10.153 -1.843 1187 H1 96F 201 HAV SUM 155 -2.893 7.214 -2.668 1188 HAS 96F 201 HAS SUM 155 -6.001 5.367 -4.380 1189 HAT 96F 201 HAT SUM 155 -4.962 6.447 -3.419 1190 HAU 96F 201 HAU SUM 155 -5.669 4.999 -2.669 1191 HAK 96F 201 HAK SUM 155 -4.922 4.181 -5.903 1192 HAF 96F 201 HAF SUM 155 -2.383 2.023 -9.374 1193 HAE 96F 201 HAE SUM 155 -0.279 0.984 -10.168 1194 HAD 96F 201 HAD SUM 155 1.689 0.855 -8.657 1195 HAR 96F 201 HAR SUM 155 2.027 2.723 -5.999 1196 HAQ 96F 201 HAQ SUM 155 -1.150 3.914 -1.744 Start of MODEL 18 1 H MET 1 1HT MET 1 -3.982 15.322 7.265 2 HA MET 1 HA MET 1 -3.152 12.728 7.098 3 HB2 MET 1 2HB MET 1 -1.267 14.407 8.778 4 HB3 MET 1 1HB MET 1 -1.427 12.657 8.936 5 HG2 MET 1 2HG MET 1 0.015 12.390 7.231 6 HG3 MET 1 1HG MET 1 -1.116 13.224 6.165 7 HE1 MET 1 1HE MET 1 1.652 13.410 8.693 8 HE2 MET 1 2HE MET 1 2.714 14.674 8.075 9 HE3 MET 1 3HE MET 1 2.447 13.214 7.124 10 HA PRO 2 HA PRO 2 -6.209 14.358 10.272 11 HB2 PRO 2 2HB PRO 2 -8.003 12.410 8.991 12 HB3 PRO 2 1HB PRO 2 -8.258 14.137 9.303 13 HG2 PRO 2 2HG PRO 2 -7.860 13.136 6.830 14 HG3 PRO 2 1HG PRO 2 -7.362 14.767 7.308 15 HD2 PRO 2 2HD PRO 2 -5.684 12.316 6.939 16 HD3 PRO 2 1HD PRO 2 -5.286 14.020 6.617 17 H GLU 3 H GLU 3 -6.735 13.275 12.190 18 HA GLU 3 HA GLU 3 -5.363 10.839 12.799 19 HB2 GLU 3 2HB GLU 3 -7.649 12.231 14.229 20 HB3 GLU 3 1HB GLU 3 -6.692 10.916 14.908 21 HG2 GLU 3 2HG GLU 3 -4.640 12.287 14.628 22 HG3 GLU 3 1HG GLU 3 -5.633 13.614 14.024 23 H GLU 4 H GLU 4 -8.602 11.549 11.655 24 HA GLU 4 HA GLU 4 -9.440 8.733 12.017 25 HB2 GLU 4 2HB GLU 4 -10.995 10.636 12.533 26 HB3 GLU 4 1HB GLU 4 -10.977 11.036 10.817 27 HG2 GLU 4 2HG GLU 4 -11.795 8.741 10.298 28 HG3 GLU 4 1HG GLU 4 -11.898 8.417 12.032 29 H ILE 5 H ILE 5 -9.837 7.346 10.279 30 HA ILE 5 HA ILE 5 -8.932 8.334 7.605 31 HB ILE 5 HB ILE 5 -8.854 5.428 8.104 32 HG12 ILE 5 2HG1 ILE 5 -8.140 6.340 10.319 33 HG13 ILE 5 1HG1 ILE 5 -6.865 5.472 9.482 34 HG21 ILE 5 1HG2 ILE 5 -7.955 6.386 6.072 35 HG22 ILE 5 2HG2 ILE 5 -6.630 5.732 7.034 36 HG23 ILE 5 3HG2 ILE 5 -6.920 7.469 7.004 37 HD11 ILE 5 1HD1 ILE 5 -7.024 8.344 8.862 38 HD12 ILE 5 2HD1 ILE 5 -5.616 7.334 9.182 39 HD13 ILE 5 3HD1 ILE 5 -6.573 7.966 10.523 40 HA PRO 6 HA PRO 6 -13.271 6.938 7.053 41 HB2 PRO 6 2HB PRO 6 -14.043 8.968 5.402 42 HB3 PRO 6 1HB PRO 6 -14.043 9.107 7.170 43 HG2 PRO 6 2HG PRO 6 -12.175 10.241 5.188 44 HG3 PRO 6 1HG PRO 6 -12.641 10.847 6.783 45 HD2 PRO 6 2HD PRO 6 -10.249 9.486 6.158 46 HD3 PRO 6 1HD PRO 6 -10.870 9.817 7.788 47 H ASP 7 H ASP 7 -14.440 6.344 4.990 48 HA ASP 7 HA ASP 7 -12.622 5.082 3.151 49 HB2 ASP 7 2HB ASP 7 -14.709 4.476 1.917 50 HB3 ASP 7 1HB ASP 7 -14.777 4.068 3.630 51 H VAL 8 H VAL 8 -11.721 5.893 1.361 52 HA VAL 8 HA VAL 8 -13.048 8.153 -0.052 53 HB VAL 8 HB VAL 8 -11.286 9.091 1.451 54 HG11 VAL 8 1HG1 VAL 8 -9.067 8.075 -0.170 55 HG12 VAL 8 2HG1 VAL 8 -9.890 6.806 0.736 56 HG13 VAL 8 3HG1 VAL 8 -9.212 8.195 1.585 57 HG21 VAL 8 1HG2 VAL 8 -9.968 9.500 -1.122 58 HG22 VAL 8 2HG2 VAL 8 -10.876 10.648 -0.138 59 HG23 VAL 8 3HG2 VAL 8 -11.724 9.586 -1.262 60 H ARG 9 H ARG 9 -12.805 8.027 -2.306 61 HA ARG 9 HA ARG 9 -11.162 5.726 -3.302 62 HB2 ARG 9 2HB ARG 9 -13.601 5.317 -3.484 63 HB3 ARG 9 1HB ARG 9 -13.760 6.790 -4.444 64 HG2 ARG 9 2HG ARG 9 -12.205 5.851 -6.128 65 HG3 ARG 9 1HG ARG 9 -12.088 4.369 -5.181 66 HD2 ARG 9 2HD ARG 9 -14.564 4.087 -5.399 67 HD3 ARG 9 1HD ARG 9 -14.595 5.498 -6.456 68 HE ARG 9 HE ARG 9 -12.685 3.618 -7.460 69 HH11 ARG 9 1HH1 ARG 9 -13.276 2.360 -9.242 70 HH12 ARG 9 2HH1 ARG 9 -14.951 2.170 -9.635 71 HH21 ARG 9 1HH2 ARG 9 -16.063 4.139 -7.006 72 HH22 ARG 9 2HH2 ARG 9 -16.530 3.177 -8.369 73 H LYS 10 H LYS 10 -9.497 6.404 -4.528 74 HA LYS 10 HA LYS 10 -9.918 8.725 -6.345 75 HB2 LYS 10 2HB LYS 10 -7.529 8.339 -4.514 76 HB3 LYS 10 1HB LYS 10 -7.647 9.565 -5.779 77 HG2 LYS 10 2HG LYS 10 -9.698 10.457 -4.659 78 HG3 LYS 10 1HG LYS 10 -9.446 9.301 -3.351 79 HD2 LYS 10 2HD LYS 10 -7.186 10.286 -2.964 80 HD3 LYS 10 1HD LYS 10 -7.534 11.497 -4.198 81 HE2 LYS 10 2HE LYS 10 -8.637 12.746 -2.689 82 HE3 LYS 10 1HE LYS 10 -9.738 11.407 -2.366 83 HZ1 LYS 10 1HZ LYS 10 -7.806 12.433 -0.676 84 HZ2 LYS 10 2HZ LYS 10 -7.219 10.919 -1.175 85 HZ3 LYS 10 3HZ LYS 10 -8.744 11.040 -0.436 86 H SER 11 H SER 11 -8.773 8.541 -8.306 87 HA SER 11 HA SER 11 -7.114 6.074 -8.635 88 HB2 SER 11 2HB SER 11 -9.069 7.100 -10.700 89 HB3 SER 11 1HB SER 11 -8.165 5.593 -10.740 90 HG SER 11 HG SER 11 -10.542 6.088 -9.650 91 H VAL 12 H VAL 12 -5.361 6.300 -10.065 92 HA VAL 12 HA VAL 12 -5.014 8.938 -11.386 93 HB VAL 12 HB VAL 12 -3.173 7.694 -9.359 94 HG11 VAL 12 1HG1 VAL 12 -1.629 8.079 -11.095 95 HG12 VAL 12 2HG1 VAL 12 -1.587 9.593 -10.192 96 HG13 VAL 12 3HG1 VAL 12 -2.511 9.485 -11.689 97 HG21 VAL 12 1HG2 VAL 12 -4.764 9.368 -8.563 98 HG22 VAL 12 2HG2 VAL 12 -4.267 10.480 -9.839 99 HG23 VAL 12 3HG2 VAL 12 -3.140 10.056 -8.549 100 H VAL 13 H VAL 13 -3.436 8.854 -13.150 101 HA VAL 13 HA VAL 13 -3.202 6.101 -14.239 102 HB VAL 13 HB VAL 13 -4.299 8.042 -15.545 103 HG11 VAL 13 1HG1 VAL 13 -1.413 8.726 -16.128 104 HG12 VAL 13 2HG1 VAL 13 -2.354 9.593 -14.914 105 HG13 VAL 13 3HG1 VAL 13 -2.860 9.617 -16.602 106 HG21 VAL 13 1HG2 VAL 13 -3.648 5.903 -16.581 107 HG22 VAL 13 2HG2 VAL 13 -1.993 6.482 -16.759 108 HG23 VAL 13 3HG2 VAL 13 -3.296 7.243 -17.672 109 H VAL 14 H VAL 14 -1.226 5.216 -14.669 110 HA VAL 14 HA VAL 14 1.186 6.912 -14.225 111 HB VAL 14 HB VAL 14 0.955 5.633 -12.193 112 HG11 VAL 14 1HG1 VAL 14 -0.450 3.833 -13.726 113 HG12 VAL 14 2HG1 VAL 14 0.109 3.520 -12.087 114 HG13 VAL 14 3HG1 VAL 14 1.064 2.972 -13.463 115 HG21 VAL 14 1HG2 VAL 14 3.197 5.657 -13.547 116 HG22 VAL 14 2HG2 VAL 14 2.851 3.951 -13.818 117 HG23 VAL 14 3HG2 VAL 14 3.046 4.560 -12.177 118 H ALA 15 H ALA 15 3.085 6.176 -15.397 119 HA ALA 15 HA ALA 15 2.384 4.846 -17.914 120 HB1 ALA 15 1HB ALA 15 4.846 6.182 -16.816 121 HB2 ALA 15 2HB ALA 15 3.900 6.610 -18.243 122 HB3 ALA 15 3HB ALA 15 4.949 5.192 -18.272 123 H ALA 16 H ALA 16 1.970 2.651 -17.329 124 HA ALA 16 HA ALA 16 4.262 0.929 -17.171 125 HB1 ALA 16 1HB ALA 16 2.669 1.229 -14.605 126 HB2 ALA 16 2HB ALA 16 4.328 1.777 -14.838 127 HB3 ALA 16 3HB ALA 16 3.955 0.056 -14.891 128 H SER 17 H SER 17 3.563 -1.381 -16.945 129 HA SER 17 HA SER 17 0.827 -1.728 -18.017 130 HB2 SER 17 2HB SER 17 1.533 -3.947 -18.642 131 HB3 SER 17 1HB SER 17 2.852 -2.861 -19.070 132 HG SER 17 HG SER 17 3.934 -4.272 -17.908 133 H VAL 18 H VAL 18 -0.623 -3.312 -16.934 134 HA VAL 18 HA VAL 18 -0.717 -2.990 -14.120 135 HB VAL 18 HB VAL 18 -2.375 -4.851 -14.176 136 HG11 VAL 18 1HG1 VAL 18 -2.691 -2.360 -15.055 137 HG12 VAL 18 2HG1 VAL 18 -3.981 -3.553 -15.230 138 HG13 VAL 18 3HG1 VAL 18 -2.927 -3.187 -16.595 139 HG21 VAL 18 1HG2 VAL 18 -1.519 -6.369 -15.771 140 HG22 VAL 18 2HG2 VAL 18 -1.261 -5.099 -16.967 141 HG23 VAL 18 3HG2 VAL 18 -2.898 -5.639 -16.593 142 H GLU 19 H GLU 19 0.634 -5.616 -16.087 143 HA GLU 19 HA GLU 19 1.300 -7.352 -13.924 144 HB2 GLU 19 2HB GLU 19 1.391 -7.986 -16.350 145 HB3 GLU 19 1HB GLU 19 2.830 -6.983 -16.508 146 HG2 GLU 19 2HG GLU 19 3.937 -8.342 -14.735 147 HG3 GLU 19 1HG GLU 19 2.518 -9.389 -14.694 148 H HIS 20 H HIS 20 2.984 -4.628 -15.419 149 HA HIS 20 HA HIS 20 5.421 -4.886 -13.925 150 HB2 HIS 20 2HB HIS 20 5.413 -3.459 -15.871 151 HB3 HIS 20 1HB HIS 20 4.110 -2.472 -15.199 152 HD1 HIS 20 1HD HIS 20 7.769 -2.877 -15.183 153 HD2 HIS 20 2HD HIS 20 4.928 -0.992 -12.768 154 HE1 HIS 20 1HE HIS 20 9.042 -1.327 -13.642 155 HE2 HIS 20 2HE HIS 20 7.326 -0.161 -12.191 156 H CYS 21 H CYS 21 2.402 -3.126 -13.334 157 HA CYS 21 HA CYS 21 3.132 -1.615 -11.105 158 HB2 CYS 21 2HB CYS 21 0.562 -3.099 -11.703 159 HB3 CYS 21 1HB CYS 21 0.738 -1.996 -10.344 160 HG CYS 21 HG CYS 21 0.349 -0.140 -11.920 161 H PHE 22 H PHE 22 2.190 -5.037 -11.249 162 HA PHE 22 HA PHE 22 2.620 -5.286 -8.372 163 HB2 PHE 22 2HB PHE 22 1.426 -6.942 -10.443 164 HB3 PHE 22 1HB PHE 22 2.442 -7.873 -9.331 165 HD1 PHE 22 1HD PHE 22 1.752 -8.289 -7.100 166 HD2 PHE 22 2HD PHE 22 -0.264 -5.319 -9.457 167 HE1 PHE 22 1HE PHE 22 0.082 -7.994 -5.291 168 HE2 PHE 22 2HE PHE 22 -1.938 -5.025 -7.662 169 HZ PHE 22 HZ PHE 22 -1.763 -6.354 -5.581 170 H GLU 23 H GLU 23 4.500 -5.738 -11.259 171 HA GLU 23 HA GLU 23 6.485 -7.498 -10.205 172 HB2 GLU 23 2HB GLU 23 6.409 -6.855 -12.593 173 HB3 GLU 23 1HB GLU 23 6.823 -5.201 -12.150 174 HG2 GLU 23 2HG GLU 23 8.944 -6.004 -11.155 175 HG3 GLU 23 1HG GLU 23 8.543 -7.647 -11.664 176 H VAL 24 H VAL 24 6.014 -4.011 -10.024 177 HA VAL 24 HA VAL 24 8.435 -3.419 -8.608 178 HB VAL 24 HB VAL 24 5.768 -1.986 -8.780 179 HG11 VAL 24 1HG1 VAL 24 7.745 -0.138 -8.153 180 HG12 VAL 24 2HG1 VAL 24 8.113 -1.511 -7.113 181 HG13 VAL 24 3HG1 VAL 24 6.521 -0.760 -7.048 182 HG21 VAL 24 1HG2 VAL 24 8.307 -1.001 -10.009 183 HG22 VAL 24 2HG2 VAL 24 6.647 -0.849 -10.585 184 HG23 VAL 24 3HG2 VAL 24 7.511 -2.375 -10.778 185 H PHE 25 H PHE 25 5.129 -4.195 -7.608 186 HA PHE 25 HA PHE 25 5.387 -3.695 -4.838 187 HB2 PHE 25 2HB PHE 25 3.673 -5.587 -6.424 188 HB3 PHE 25 1HB PHE 25 3.558 -5.490 -4.676 189 HD1 PHE 25 1HD PHE 25 4.458 -2.365 -6.391 190 HD2 PHE 25 2HD PHE 25 1.173 -4.799 -5.033 191 HE1 PHE 25 1HE PHE 25 2.960 -0.432 -6.545 192 HE2 PHE 25 2HE PHE 25 -0.328 -2.842 -5.205 193 HZ PHE 25 HZ PHE 25 0.574 -0.651 -5.949 194 H THR 26 H THR 26 6.036 -6.721 -6.623 195 HA THR 26 HA THR 26 7.027 -7.881 -4.083 196 HB THR 26 HB THR 26 7.080 -10.000 -5.311 197 HG1 THR 26 1HG THR 26 5.804 -9.336 -7.512 198 HG21 THR 26 1HG2 THR 26 4.647 -8.300 -5.198 199 HG22 THR 26 2HG2 THR 26 4.974 -9.850 -4.418 200 HG23 THR 26 3HG2 THR 26 4.529 -9.796 -6.124 201 H SER 27 H SER 27 8.367 -6.161 -6.665 202 HA SER 27 HA SER 27 10.907 -7.686 -6.559 203 HB2 SER 27 2HB SER 27 11.580 -6.331 -8.461 204 HB3 SER 27 1HB SER 27 10.002 -7.041 -8.764 205 HG SER 27 HG SER 27 9.234 -4.946 -7.793 206 H ARG 28 H ARG 28 9.655 -4.434 -5.724 207 HA ARG 28 HA ARG 28 11.709 -4.030 -3.758 208 HB2 ARG 28 2HB ARG 28 12.893 -2.145 -5.047 209 HB3 ARG 28 1HB ARG 28 13.309 -3.791 -5.489 210 HG2 ARG 28 2HG ARG 28 12.976 -2.773 -7.577 211 HG3 ARG 28 1HG ARG 28 11.427 -3.541 -7.291 212 HD2 ARG 28 2HD ARG 28 10.367 -1.494 -6.801 213 HD3 ARG 28 1HD ARG 28 11.893 -0.679 -6.440 214 HE ARG 28 HE ARG 28 10.745 -1.097 -9.107 215 HH11 ARG 28 1HH1 ARG 28 11.879 -0.087 -10.780 216 HH12 ARG 28 2HH1 ARG 28 13.465 0.540 -10.479 217 HH21 ARG 28 1HH2 ARG 28 13.507 -0.436 -7.151 218 HH22 ARG 28 2HH2 ARG 28 14.387 0.342 -8.425 219 HA PRO 29 HA PRO 29 8.020 -1.087 -4.173 220 HB2 PRO 29 2HB PRO 29 6.912 -1.715 -1.724 221 HB3 PRO 29 1HB PRO 29 6.421 -2.429 -3.270 222 HG2 PRO 29 2HG PRO 29 8.238 -3.507 -1.181 223 HG3 PRO 29 1HG PRO 29 7.039 -4.331 -2.175 224 HD2 PRO 29 2HD PRO 29 9.685 -4.494 -2.728 225 HD3 PRO 29 1HD PRO 29 8.456 -4.502 -4.015 226 H ALA 30 H ALA 30 9.836 -1.877 -1.216 227 HA ALA 30 HA ALA 30 9.514 0.803 -0.136 228 HB1 ALA 30 1HB ALA 30 10.244 -1.694 0.851 229 HB2 ALA 30 2HB ALA 30 10.210 -0.189 1.761 230 HB3 ALA 30 3HB ALA 30 11.710 -0.726 1.002 231 H ASP 31 H ASP 31 11.858 -0.752 -2.200 232 HA ASP 31 HA ASP 31 14.119 0.896 -1.710 233 HB2 ASP 31 2HB ASP 31 13.881 -1.199 -3.228 234 HB3 ASP 31 1HB ASP 31 13.395 -0.041 -4.472 235 H TRP 32 H TRP 32 11.217 1.529 -3.641 236 HA TRP 32 HA TRP 32 12.453 3.982 -4.720 237 HB2 TRP 32 2HB TRP 32 10.962 3.779 -6.395 238 HB3 TRP 32 1HB TRP 32 10.533 2.217 -5.698 239 HD1 TRP 32 HD TRP 32 9.504 5.922 -5.483 240 HE1 TRP 32 1HE TRP 32 7.030 6.038 -4.796 241 HE3 TRP 32 3HE TRP 32 8.576 0.983 -4.748 242 HZ2 TRP 32 2HZ TRP 32 4.941 4.256 -4.039 243 HZ3 TRP 32 3HZ TRP 32 6.314 0.211 -4.036 244 HH2 TRP 32 HH TRP 32 4.493 1.848 -3.692 245 H TRP 33 H TRP 33 12.357 5.838 -3.639 246 HA TRP 33 HA TRP 33 10.142 6.284 -1.688 247 HB2 TRP 33 2HB TRP 33 12.435 8.105 -1.533 248 HB3 TRP 33 1HB TRP 33 11.679 7.150 -0.257 249 HD1 TRP 33 HD TRP 33 13.027 5.184 0.614 250 HE1 TRP 33 1HE TRP 33 15.076 3.848 -0.201 251 HE3 TRP 33 3HE TRP 33 13.685 7.301 -3.987 252 HZ2 TRP 33 2HZ TRP 33 16.770 3.698 -2.502 253 HZ3 TRP 33 3HZ TRP 33 15.523 6.543 -5.468 254 HH2 TRP 33 HH TRP 33 17.064 4.746 -4.731 255 HA PRO 34 HA PRO 34 8.654 9.868 -3.773 256 HB2 PRO 34 2HB PRO 34 9.881 11.809 -1.887 257 HB3 PRO 34 1HB PRO 34 8.177 11.583 -2.324 258 HG2 PRO 34 2HG PRO 34 9.163 10.796 0.037 259 HG3 PRO 34 1HG PRO 34 7.862 9.919 -0.788 260 HD2 PRO 34 2HD PRO 34 10.740 9.196 -0.496 261 HD3 PRO 34 1HD PRO 34 9.318 8.136 -0.616 262 HA PRO 35 HA PRO 35 12.135 11.145 -6.300 263 HB2 PRO 35 2HB PRO 35 10.827 12.906 -7.954 264 HB3 PRO 35 1HB PRO 35 10.753 11.143 -8.130 265 HG2 PRO 35 2HG PRO 35 8.776 13.010 -6.937 266 HG3 PRO 35 1HG PRO 35 8.515 11.549 -7.903 267 HD2 PRO 35 2HD PRO 35 8.230 11.612 -5.178 268 HD3 PRO 35 1HD PRO 35 8.680 10.147 -6.077 269 H SER 36 H SER 36 10.099 13.525 -4.688 270 HA SER 36 HA SER 36 12.398 15.446 -4.752 271 HB2 SER 36 2HB SER 36 10.339 16.238 -5.938 272 HB3 SER 36 1HB SER 36 9.452 16.088 -4.423 273 HG SER 36 HG SER 36 10.359 18.219 -4.923 274 H HIS 37 H HIS 37 13.105 16.236 -2.779 275 HA HIS 37 HA HIS 37 13.442 16.168 -0.452 276 HB2 HIS 37 2HB HIS 37 10.410 16.222 -0.409 277 HB3 HIS 37 1HB HIS 37 11.497 16.779 0.863 278 HD1 HIS 37 1HD HIS 37 13.262 18.747 -0.052 279 HD2 HIS 37 2HD HIS 37 9.658 18.270 -2.100 280 HE1 HIS 37 1HE HIS 37 12.894 20.883 -1.367 281 HE2 HIS 37 2HE HIS 37 10.704 20.603 -2.616 282 H VAL 38 H VAL 38 12.544 14.926 1.637 283 HA VAL 38 HA VAL 38 12.076 12.085 0.803 284 HB VAL 38 HB VAL 38 13.565 13.115 3.237 285 HG11 VAL 38 1HG1 VAL 38 14.294 10.541 2.982 286 HG12 VAL 38 2HG1 VAL 38 12.677 10.438 2.282 287 HG13 VAL 38 3HG1 VAL 38 12.891 11.033 3.930 288 HG21 VAL 38 1HG2 VAL 38 15.082 13.526 1.529 289 HG22 VAL 38 2HG2 VAL 38 14.415 12.264 0.493 290 HG23 VAL 38 3HG2 VAL 38 15.445 11.832 1.858 291 H LEU 39 H LEU 39 10.145 11.295 1.491 292 HA LEU 39 HA LEU 39 8.771 12.723 3.721 293 HB2 LEU 39 2HB LEU 39 7.598 10.814 1.678 294 HB3 LEU 39 1HB LEU 39 6.701 11.773 2.854 295 HG LEU 39 HG LEU 39 8.417 12.872 0.607 296 HD11 LEU 39 1HD1 LEU 39 6.536 12.844 -0.629 297 HD12 LEU 39 2HD1 LEU 39 5.671 13.731 0.627 298 HD13 LEU 39 3HD1 LEU 39 5.726 11.968 0.670 299 HD21 LEU 39 1HD2 LEU 39 7.050 14.106 2.977 300 HD22 LEU 39 2HD2 LEU 39 7.117 15.013 1.465 301 HD23 LEU 39 3HD2 LEU 39 8.610 14.505 2.256 302 H VAL 40 H VAL 40 10.639 10.002 3.267 303 HA VAL 40 HA VAL 40 9.021 8.290 5.056 304 HB VAL 40 HB VAL 40 10.312 7.356 3.058 305 HG11 VAL 40 1HG1 VAL 40 12.382 8.820 3.853 306 HG12 VAL 40 2HG1 VAL 40 12.621 7.269 3.056 307 HG13 VAL 40 3HG1 VAL 40 12.737 7.383 4.810 308 HG21 VAL 40 1HG2 VAL 40 11.358 5.501 4.639 309 HG22 VAL 40 2HG2 VAL 40 9.611 5.690 4.508 310 HG23 VAL 40 3HG2 VAL 40 10.473 6.379 5.884 311 H LYS 41 H LYS 41 9.115 8.962 7.151 312 HA LYS 41 HA LYS 41 11.302 10.374 8.324 313 HB2 LYS 41 2HB LYS 41 9.124 8.721 9.613 314 HB3 LYS 41 1HB LYS 41 10.214 9.789 10.493 315 HG2 LYS 41 2HG LYS 41 9.434 11.687 9.067 316 HG3 LYS 41 1HG LYS 41 8.265 10.600 8.318 317 HD2 LYS 41 2HD LYS 41 7.295 10.152 10.573 318 HD3 LYS 41 1HD LYS 41 8.402 11.345 11.253 319 HE2 LYS 41 2HE LYS 41 6.656 12.772 10.862 320 HE3 LYS 41 1HE LYS 41 7.335 12.803 9.235 321 HZ1 LYS 41 1HZ LYS 41 5.556 10.590 9.745 322 HZ2 LYS 41 2HZ LYS 41 5.631 11.642 8.412 323 HZ3 LYS 41 3HZ LYS 41 4.807 12.110 9.823 324 H LYS 42 H LYS 42 10.519 6.923 8.189 325 HA LYS 42 HA LYS 42 13.017 6.320 9.688 326 HB2 LYS 42 2HB LYS 42 12.164 4.061 9.887 327 HB3 LYS 42 1HB LYS 42 10.857 5.169 10.304 328 HG2 LYS 42 2HG LYS 42 10.028 4.990 7.943 329 HG3 LYS 42 1HG LYS 42 11.256 3.758 7.649 330 HD2 LYS 42 2HD LYS 42 10.279 2.492 9.636 331 HD3 LYS 42 1HD LYS 42 8.925 3.623 9.571 332 HE2 LYS 42 2HE LYS 42 8.012 2.217 8.055 333 HE3 LYS 42 1HE LYS 42 9.219 2.836 6.927 334 HZ1 LYS 42 1HZ LYS 42 10.282 0.834 8.666 335 HZ2 LYS 42 2HZ LYS 42 10.318 0.924 6.970 336 HZ3 LYS 42 3HZ LYS 42 8.973 0.251 7.759 337 H GLU 43 H GLU 43 14.645 4.967 8.724 338 HA GLU 43 HA GLU 43 14.795 5.269 5.808 339 HB2 GLU 43 2HB GLU 43 16.715 4.007 7.775 340 HB3 GLU 43 1HB GLU 43 17.055 4.293 6.071 341 HG2 GLU 43 2HG GLU 43 16.669 6.723 6.428 342 HG3 GLU 43 1HG GLU 43 16.422 6.411 8.146 343 H ARG 44 H ARG 44 14.081 3.740 4.424 344 HA ARG 44 HA ARG 44 13.017 1.213 5.316 345 HB2 ARG 44 2HB ARG 44 13.807 2.163 2.540 346 HB3 ARG 44 1HB ARG 44 12.819 0.742 2.887 347 HG2 ARG 44 2HG ARG 44 11.106 2.117 3.927 348 HG3 ARG 44 1HG ARG 44 12.114 3.554 3.767 349 HD2 ARG 44 2HD ARG 44 12.075 3.214 1.274 350 HD3 ARG 44 1HD ARG 44 10.907 1.922 1.524 351 HE ARG 44 HE ARG 44 10.032 4.348 2.817 352 HH11 ARG 44 1HH1 ARG 44 8.319 5.458 1.846 353 HH12 ARG 44 2HH1 ARG 44 7.910 5.121 0.197 354 HH21 ARG 44 1HH2 ARG 44 10.396 2.739 -0.212 355 HH22 ARG 44 2HH2 ARG 44 9.086 3.583 -0.968 356 H ALA 45 H ALA 45 14.007 -0.800 5.374 357 HA ALA 45 HA ALA 45 16.925 -0.849 4.708 358 HB1 ALA 45 1HB ALA 45 16.471 -3.025 6.336 359 HB2 ALA 45 2HB ALA 45 15.357 -1.823 6.991 360 HB3 ALA 45 3HB ALA 45 17.079 -1.463 6.883 361 H GLY 46 H GLY 46 13.970 -2.863 4.709 362 HA2 GLY 46 2HA GLY 46 14.711 -4.007 2.133 363 HA3 GLY 46 1HA GLY 46 14.890 -5.155 3.449 364 H LEU 47 H LEU 47 13.070 -5.934 1.670 365 HA LEU 47 HA LEU 47 10.601 -5.691 3.213 366 HB2 LEU 47 2HB LEU 47 9.332 -5.253 0.940 367 HB3 LEU 47 1HB LEU 47 9.940 -3.914 1.903 368 HG LEU 47 HG LEU 47 10.413 -3.730 -0.550 369 HD11 LEU 47 1HD1 LEU 47 12.312 -2.582 -0.191 370 HD12 LEU 47 2HD1 LEU 47 13.106 -3.938 0.600 371 HD13 LEU 47 3HD1 LEU 47 11.965 -2.938 1.496 372 HD21 LEU 47 1HD2 LEU 47 10.857 -6.215 -0.817 373 HD22 LEU 47 2HD2 LEU 47 12.452 -5.901 -0.125 374 HD23 LEU 47 3HD2 LEU 47 11.979 -5.133 -1.637 375 H ALA 48 H ALA 48 9.359 -7.517 3.074 376 HA ALA 48 HA ALA 48 10.364 -9.640 1.227 377 HB1 ALA 48 1HB ALA 48 8.528 -10.386 3.428 378 HB2 ALA 48 2HB ALA 48 10.095 -9.761 3.943 379 HB3 ALA 48 3HB ALA 48 10.012 -11.171 2.888 380 H PHE 49 H PHE 49 8.930 -10.498 -0.266 381 HA PHE 49 HA PHE 49 6.061 -9.722 -0.013 382 HB2 PHE 49 2HB PHE 49 7.998 -8.948 -2.093 383 HB3 PHE 49 1HB PHE 49 6.476 -9.596 -2.706 384 HD1 PHE 49 1HD PHE 49 4.660 -8.159 -2.932 385 HD2 PHE 49 2HD PHE 49 7.750 -7.215 -0.109 386 HE1 PHE 49 1HE PHE 49 3.549 -6.004 -2.445 387 HE2 PHE 49 2HE PHE 49 6.642 -5.058 0.382 388 HZ PHE 49 HZ PHE 49 4.541 -4.450 -0.795 389 H GLU 50 H GLU 50 4.694 -11.383 -0.476 390 HA GLU 50 HA GLU 50 5.788 -13.640 -2.105 391 HB2 GLU 50 2HB GLU 50 4.534 -13.700 0.591 392 HB3 GLU 50 1HB GLU 50 4.171 -15.028 -0.506 393 HG2 GLU 50 2HG GLU 50 6.942 -14.073 0.216 394 HG3 GLU 50 1HG GLU 50 6.140 -15.448 0.969 395 HA PRO 51 HA PRO 51 1.845 -12.806 -4.124 396 HB2 PRO 51 2HB PRO 51 1.949 -14.576 -6.113 397 HB3 PRO 51 1HB PRO 51 3.092 -13.221 -6.036 398 HG2 PRO 51 2HG PRO 51 3.505 -16.083 -5.300 399 HG3 PRO 51 1HG PRO 51 4.588 -14.976 -6.161 400 HD2 PRO 51 2HD PRO 51 4.779 -15.563 -3.445 401 HD3 PRO 51 1HD PRO 51 5.444 -14.108 -4.225 402 H PHE 52 H PHE 52 -0.210 -13.489 -3.566 403 HA PHE 52 HA PHE 52 -1.245 -16.097 -3.771 404 HB2 PHE 52 2HB PHE 52 -1.327 -16.533 -1.177 405 HB3 PHE 52 1HB PHE 52 0.086 -17.025 -2.101 406 HD1 PHE 52 1HD PHE 52 1.262 -16.978 0.158 407 HD2 PHE 52 2HD PHE 52 -0.284 -13.403 -1.672 408 HE1 PHE 52 1HE PHE 52 2.706 -15.575 1.610 409 HE2 PHE 52 2HE PHE 52 1.182 -12.043 -0.271 410 HZ PHE 52 HZ PHE 52 2.644 -13.095 1.397 411 H VAL 53 H VAL 53 -3.207 -16.361 -2.094 412 HA VAL 53 HA VAL 53 -4.675 -13.776 -2.140 413 HB VAL 53 HB VAL 53 -6.362 -15.121 -2.833 414 HG11 VAL 53 1HG1 VAL 53 -6.115 -17.554 -2.980 415 HG12 VAL 53 2HG1 VAL 53 -4.713 -17.492 -1.912 416 HG13 VAL 53 3HG1 VAL 53 -4.637 -16.756 -3.515 417 HG21 VAL 53 1HG2 VAL 53 -7.541 -16.461 -1.179 418 HG22 VAL 53 2HG2 VAL 53 -6.957 -14.992 -0.401 419 HG23 VAL 53 3HG2 VAL 53 -6.111 -16.523 -0.150 420 H GLY 54 H GLY 54 -5.435 -12.851 -0.116 421 HA2 GLY 54 2HA GLY 54 -5.341 -12.526 2.244 422 HA3 GLY 54 1HA GLY 54 -5.184 -14.288 2.395 423 H GLY 55 H GLY 55 -3.246 -12.335 0.351 424 HA2 GLY 55 2HA GLY 55 -0.809 -13.491 1.205 425 HA3 GLY 55 1HA GLY 55 -1.005 -12.147 0.083 426 H ARG 56 H ARG 56 1.214 -11.944 1.484 427 HA ARG 56 HA ARG 56 0.563 -9.765 3.394 428 HB2 ARG 56 2HB ARG 56 2.289 -12.160 4.059 429 HB3 ARG 56 1HB ARG 56 2.205 -10.694 5.037 430 HG2 ARG 56 2HG ARG 56 -0.262 -11.027 5.250 431 HG3 ARG 56 1HG ARG 56 -0.099 -12.554 4.381 432 HD2 ARG 56 2HD ARG 56 1.232 -11.848 7.013 433 HD3 ARG 56 1HD ARG 56 -0.108 -12.973 6.794 434 HE ARG 56 HE ARG 56 2.229 -13.666 5.193 435 HH11 ARG 56 1HH1 ARG 56 3.293 -15.565 5.800 436 HH12 ARG 56 2HH1 ARG 56 2.959 -16.273 7.345 437 HH21 ARG 56 1HH2 ARG 56 0.661 -13.843 8.258 438 HH22 ARG 56 2HH2 ARG 56 1.469 -15.298 8.737 439 H TYR 57 H TYR 57 2.058 -8.173 3.492 440 HA TYR 57 HA TYR 57 4.548 -8.463 1.872 441 HB2 TYR 57 2HB TYR 57 2.869 -5.964 2.255 442 HB3 TYR 57 1HB TYR 57 4.351 -6.071 1.322 443 HD1 TYR 57 1HD TYR 57 1.203 -5.473 0.698 444 HD2 TYR 57 2HD TYR 57 3.956 -8.669 -0.163 445 HE1 TYR 57 1HE TYR 57 -0.135 -6.107 -1.288 446 HE2 TYR 57 2HE TYR 57 2.608 -9.303 -2.124 447 HH TYR 57 HH TYR 57 0.798 -7.678 -3.709 448 H TYR 58 H TYR 58 6.432 -7.743 2.882 449 HA TYR 58 HA TYR 58 6.071 -6.676 5.654 450 HB2 TYR 58 2HB TYR 58 8.276 -8.521 4.724 451 HB3 TYR 58 1HB TYR 58 7.922 -8.025 6.376 452 HD1 TYR 58 1HD TYR 58 6.515 -9.341 7.713 453 HD2 TYR 58 2HD TYR 58 6.338 -9.723 3.440 454 HE1 TYR 58 1HE TYR 58 4.932 -11.237 7.944 455 HE2 TYR 58 2HE TYR 58 4.756 -11.611 3.670 456 HH TYR 58 HH TYR 58 3.839 -12.858 6.877 457 H GLU 59 H GLU 59 7.548 -5.152 6.385 458 HA GLU 59 HA GLU 59 9.501 -4.075 4.382 459 HB2 GLU 59 2HB GLU 59 7.518 -2.574 4.655 460 HB3 GLU 59 1HB GLU 59 7.879 -2.462 6.378 461 HG2 GLU 59 2HG GLU 59 10.139 -1.574 5.808 462 HG3 GLU 59 1HG GLU 59 9.686 -1.597 4.102 463 H TRP 60 H TRP 60 11.513 -3.516 5.245 464 HA TRP 60 HA TRP 60 11.979 -4.409 8.060 465 HB2 TRP 60 2HB TRP 60 13.479 -4.551 5.551 466 HB3 TRP 60 1HB TRP 60 14.441 -3.894 6.870 467 HD1 TRP 60 HD TRP 60 14.051 -5.461 9.279 468 HE1 TRP 60 1HE TRP 60 14.298 -8.030 9.402 469 HE3 TRP 60 3HE TRP 60 13.428 -6.645 4.353 470 HZ2 TRP 60 2HZ TRP 60 14.202 -10.291 7.630 471 HZ3 TRP 60 3HZ TRP 60 13.503 -9.000 3.597 472 HH2 TRP 60 HH TRP 60 13.895 -10.821 5.224 473 H ASP 61 H ASP 61 12.490 -2.839 9.582 474 HA ASP 61 HA ASP 61 13.254 -0.147 8.466 475 HB2 ASP 61 2HB ASP 61 12.602 -0.014 11.259 476 HB3 ASP 61 1HB ASP 61 11.815 0.788 9.903 477 H ILE 62 H ILE 62 15.210 0.752 9.127 478 HA ILE 62 HA ILE 62 17.302 -0.917 9.915 479 HB ILE 62 HB ILE 62 18.610 1.068 10.326 480 HG12 ILE 62 2HG1 ILE 62 16.982 2.274 11.754 481 HG13 ILE 62 1HG1 ILE 62 17.631 3.296 10.490 482 HG21 ILE 62 1HG2 ILE 62 18.021 0.568 7.999 483 HG22 ILE 62 2HG2 ILE 62 18.173 2.306 8.260 484 HG23 ILE 62 3HG2 ILE 62 16.577 1.567 8.153 485 HD11 ILE 62 1HD1 ILE 62 15.320 3.761 10.458 486 HD12 ILE 62 2HD1 ILE 62 14.878 2.075 10.678 487 HD13 ILE 62 3HD1 ILE 62 15.521 2.621 9.136 488 H ASP 63 H ASP 63 15.175 1.002 11.997 489 HA ASP 63 HA ASP 63 16.517 -0.211 14.367 490 HB2 ASP 63 2HB ASP 63 15.297 1.476 15.668 491 HB3 ASP 63 1HB ASP 63 16.251 2.250 14.404 492 H GLY 64 H GLY 64 13.940 -0.526 12.292 493 HA2 GLY 64 2HA GLY 64 12.286 -1.901 14.343 494 HA3 GLY 64 1HA GLY 64 11.641 -1.239 12.850 495 H THR 65 H THR 65 12.132 -3.973 14.264 496 HA THR 65 HA THR 65 13.588 -5.678 12.550 497 HB THR 65 HB THR 65 11.100 -6.349 14.131 498 HG1 THR 65 1HG THR 65 13.220 -6.905 15.519 499 HG21 THR 65 1HG2 THR 65 11.636 -8.322 13.071 500 HG22 THR 65 2HG2 THR 65 12.705 -8.448 14.466 501 HG23 THR 65 3HG2 THR 65 13.341 -7.899 12.918 502 H GLU 66 H GLU 66 12.169 -7.581 11.443 503 HA GLU 66 HA GLU 66 10.809 -6.331 9.182 504 HB2 GLU 66 2HB GLU 66 12.226 -8.507 9.180 505 HB3 GLU 66 1HB GLU 66 10.804 -9.272 9.852 506 HG2 GLU 66 2HG GLU 66 9.486 -8.432 7.933 507 HG3 GLU 66 1HG GLU 66 10.971 -7.801 7.225 508 H ILE 67 H ILE 67 8.558 -6.229 8.902 509 HA ILE 67 HA ILE 67 6.838 -7.831 10.691 510 HB ILE 67 HB ILE 67 5.534 -5.828 11.396 511 HG12 ILE 67 2HG1 ILE 67 7.907 -4.185 10.568 512 HG13 ILE 67 1HG1 ILE 67 6.580 -4.460 9.440 513 HG21 ILE 67 1HG2 ILE 67 7.318 -6.895 12.802 514 HG22 ILE 67 2HG2 ILE 67 7.068 -5.185 13.148 515 HG23 ILE 67 3HG2 ILE 67 8.453 -5.697 12.182 516 HD11 ILE 67 1HD1 ILE 67 6.386 -3.216 12.197 517 HD12 ILE 67 2HD1 ILE 67 4.995 -3.616 11.188 518 HD13 ILE 67 3HD1 ILE 67 6.151 -2.395 10.653 519 H VAL 68 H VAL 68 4.485 -7.546 10.124 520 HA VAL 68 HA VAL 68 4.229 -7.132 7.170 521 HB VAL 68 HB VAL 68 3.619 -9.388 8.193 522 HG11 VAL 68 1HG1 VAL 68 1.123 -8.001 9.146 523 HG12 VAL 68 2HG1 VAL 68 2.527 -8.138 10.206 524 HG13 VAL 68 3HG1 VAL 68 1.742 -9.592 9.589 525 HG21 VAL 68 1HG2 VAL 68 1.499 -9.553 6.899 526 HG22 VAL 68 2HG2 VAL 68 2.752 -8.692 6.006 527 HG23 VAL 68 3HG2 VAL 68 1.452 -7.792 6.789 528 H TRP 69 H TRP 69 3.157 -5.311 6.561 529 HA TRP 69 HA TRP 69 1.442 -3.968 8.616 530 HB2 TRP 69 2HB TRP 69 1.919 -2.062 6.702 531 HB3 TRP 69 1HB TRP 69 2.852 -2.262 8.185 532 HD1 TRP 69 HD TRP 69 5.253 -3.266 8.011 533 HE1 TRP 69 1HE TRP 69 6.794 -3.808 6.018 534 HE3 TRP 69 3HE TRP 69 1.899 -2.913 4.184 535 HZ2 TRP 69 2HZ TRP 69 6.625 -4.056 3.171 536 HZ3 TRP 69 3HZ TRP 69 2.612 -3.302 1.845 537 HH2 TRP 69 HH TRP 69 4.968 -3.870 1.339 538 H GLY 70 H GLY 70 0.978 -5.885 5.969 539 HA2 GLY 70 2HA GLY 70 -1.687 -4.712 5.543 540 HA3 GLY 70 1HA GLY 70 -0.629 -4.657 4.138 541 H ARG 71 H ARG 71 -2.595 -5.998 3.412 542 HA ARG 71 HA ARG 71 -1.821 -8.834 3.495 543 HB2 ARG 71 2HB ARG 71 -3.873 -7.930 5.162 544 HB3 ARG 71 1HB ARG 71 -4.712 -8.577 3.757 545 HG2 ARG 71 2HG ARG 71 -3.365 -10.663 3.948 546 HG3 ARG 71 1HG ARG 71 -2.662 -10.036 5.437 547 HD2 ARG 71 2HD ARG 71 -4.471 -11.408 6.147 548 HD3 ARG 71 1HD ARG 71 -5.086 -9.760 6.262 549 HE ARG 71 HE ARG 71 -5.693 -10.798 3.669 550 HH11 ARG 71 1HH1 ARG 71 -7.806 -11.493 3.271 551 HH12 ARG 71 2HH1 ARG 71 -8.846 -11.867 4.605 552 HH21 ARG 71 1HH2 ARG 71 -6.464 -11.125 7.013 553 HH22 ARG 71 2HH2 ARG 71 -8.087 -11.658 6.724 554 H ILE 72 H ILE 72 -3.640 -9.976 2.040 555 HA ILE 72 HA ILE 72 -4.307 -8.214 -0.249 556 HB ILE 72 HB ILE 72 -2.798 -10.828 -0.354 557 HG12 ILE 72 2HG1 ILE 72 -1.457 -9.383 -2.017 558 HG13 ILE 72 1HG1 ILE 72 -2.356 -8.012 -1.370 559 HG21 ILE 72 1HG2 ILE 72 -3.132 -10.650 -2.857 560 HG22 ILE 72 2HG2 ILE 72 -4.389 -9.457 -2.529 561 HG23 ILE 72 3HG2 ILE 72 -4.571 -11.113 -1.947 562 HD11 ILE 72 1HD1 ILE 72 -0.055 -9.308 -0.259 563 HD12 ILE 72 2HD1 ILE 72 -1.405 -9.535 0.843 564 HD13 ILE 72 3HD1 ILE 72 -0.931 -7.912 0.366 565 H LEU 73 H LEU 73 -6.034 -9.350 -1.672 566 HA LEU 73 HA LEU 73 -7.759 -11.061 0.075 567 HB2 LEU 73 2HB LEU 73 -8.379 -8.910 -1.925 568 HB3 LEU 73 1HB LEU 73 -9.569 -10.167 -1.595 569 HG LEU 73 HG LEU 73 -8.247 -8.764 0.703 570 HD11 LEU 73 1HD1 LEU 73 -9.899 -6.999 0.663 571 HD12 LEU 73 2HD1 LEU 73 -10.687 -7.709 -0.747 572 HD13 LEU 73 3HD1 LEU 73 -9.074 -7.014 -0.894 573 HD21 LEU 73 1HD2 LEU 73 -10.569 -9.172 1.661 574 HD22 LEU 73 2HD2 LEU 73 -9.657 -10.630 1.271 575 HD23 LEU 73 3HD2 LEU 73 -10.936 -10.072 0.192 576 H GLU 74 H GLU 74 -6.977 -10.421 -3.327 577 HA GLU 74 HA GLU 74 -6.543 -13.170 -3.995 578 HB2 GLU 74 2HB GLU 74 -9.037 -13.217 -3.654 579 HB3 GLU 74 1HB GLU 74 -9.189 -12.025 -4.947 580 HG2 GLU 74 2HG GLU 74 -8.029 -13.602 -6.491 581 HG3 GLU 74 1HG GLU 74 -7.994 -14.803 -5.200 582 H TRP 75 H TRP 75 -5.957 -13.356 -6.282 583 HA TRP 75 HA TRP 75 -5.375 -10.690 -7.477 584 HB2 TRP 75 2HB TRP 75 -3.576 -11.804 -8.689 585 HB3 TRP 75 1HB TRP 75 -3.439 -12.175 -6.969 586 HD1 TRP 75 HD TRP 75 -4.371 -14.607 -6.178 587 HE1 TRP 75 1HE TRP 75 -4.446 -16.846 -7.453 588 HE3 TRP 75 3HE TRP 75 -3.818 -12.915 -10.964 589 HZ2 TRP 75 2HZ TRP 75 -4.290 -17.794 -10.148 590 HZ3 TRP 75 3HZ TRP 75 -3.784 -14.505 -12.863 591 HH2 TRP 75 HH TRP 75 -4.019 -16.940 -12.462 592 H ASP 76 H ASP 76 -6.473 -10.114 -9.280 593 HA ASP 76 HA ASP 76 -7.900 -12.253 -10.786 594 HB2 ASP 76 2HB ASP 76 -8.846 -9.833 -9.756 595 HB3 ASP 76 1HB ASP 76 -8.652 -9.526 -11.483 596 HA PRO 77 HA PRO 77 -4.823 -12.096 -14.025 597 HB2 PRO 77 2HB PRO 77 -7.330 -11.777 -15.663 598 HB3 PRO 77 1HB PRO 77 -5.893 -12.765 -16.002 599 HG2 PRO 77 2HG PRO 77 -8.115 -13.815 -14.934 600 HG3 PRO 77 1HG PRO 77 -6.496 -14.403 -14.523 601 HD2 PRO 77 2HD PRO 77 -8.409 -12.957 -12.833 602 HD3 PRO 77 1HD PRO 77 -6.926 -13.816 -12.354 603 HA PRO 78 HA PRO 78 -3.591 -7.963 -14.915 604 HB2 PRO 78 2HB PRO 78 -4.111 -8.707 -17.777 605 HB3 PRO 78 1HB PRO 78 -2.717 -7.868 -17.071 606 HG2 PRO 78 2HG PRO 78 -2.744 -10.525 -17.683 607 HG3 PRO 78 1HG PRO 78 -1.708 -9.798 -16.445 608 HD2 PRO 78 2HD PRO 78 -3.899 -11.659 -16.069 609 HD3 PRO 78 1HD PRO 78 -2.809 -10.981 -14.838 610 H HIS 79 H HIS 79 -5.720 -7.296 -13.945 611 HA HIS 79 HA HIS 79 -7.108 -5.475 -15.619 612 HB2 HIS 79 2HB HIS 79 -7.996 -7.898 -16.293 613 HB3 HIS 79 1HB HIS 79 -8.996 -7.657 -14.858 614 HD1 HIS 79 1HD HIS 79 -9.410 -4.601 -15.071 615 HD2 HIS 79 2HD HIS 79 -9.860 -7.224 -18.281 616 HE1 HIS 79 1HE HIS 79 -10.894 -3.426 -16.748 617 HE2 HIS 79 2HE HIS 79 -11.188 -5.018 -18.705 618 H ARG 80 H ARG 80 -7.404 -7.602 -12.724 619 HA ARG 80 HA ARG 80 -7.992 -5.163 -11.176 620 HB2 ARG 80 2HB ARG 80 -10.219 -5.727 -11.887 621 HB3 ARG 80 1HB ARG 80 -9.986 -7.419 -11.436 622 HG2 ARG 80 2HG ARG 80 -9.845 -6.841 -9.086 623 HG3 ARG 80 1HG ARG 80 -9.856 -5.119 -9.465 624 HD2 ARG 80 2HD ARG 80 -12.110 -5.311 -10.388 625 HD3 ARG 80 1HD ARG 80 -12.097 -7.044 -10.078 626 HE ARG 80 HE ARG 80 -11.608 -5.459 -7.682 627 HH11 ARG 80 1HH1 ARG 80 -13.238 -5.552 -6.116 628 HH12 ARG 80 2HH1 ARG 80 -14.797 -6.173 -6.544 629 HH21 ARG 80 1HH2 ARG 80 -13.931 -6.813 -9.840 630 HH22 ARG 80 2HH2 ARG 80 -15.189 -6.888 -8.652 631 H LEU 81 H LEU 81 -7.467 -5.314 -9.037 632 HA LEU 81 HA LEU 81 -6.828 -7.983 -7.913 633 HB2 LEU 81 2HB LEU 81 -4.958 -5.615 -7.980 634 HB3 LEU 81 1HB LEU 81 -4.738 -6.986 -6.895 635 HG LEU 81 HG LEU 81 -5.191 -8.048 -9.481 636 HD11 LEU 81 1HD1 LEU 81 -4.620 -5.902 -10.436 637 HD12 LEU 81 2HD1 LEU 81 -3.270 -7.008 -10.691 638 HD13 LEU 81 3HD1 LEU 81 -3.186 -5.791 -9.418 639 HD21 LEU 81 1HD2 LEU 81 -2.634 -7.745 -7.885 640 HD22 LEU 81 2HD2 LEU 81 -2.907 -8.914 -9.174 641 HD23 LEU 81 3HD2 LEU 81 -3.819 -9.030 -7.669 642 H ALA 82 H ALA 82 -7.665 -8.157 -5.905 643 HA ALA 82 HA ALA 82 -8.506 -5.647 -4.502 644 HB1 ALA 82 1HB ALA 82 -10.430 -7.025 -4.874 645 HB2 ALA 82 2HB ALA 82 -9.984 -7.287 -3.188 646 HB3 ALA 82 3HB ALA 82 -9.559 -8.486 -4.410 647 H MET 83 H MET 83 -7.952 -5.508 -2.175 648 HA MET 83 HA MET 83 -6.169 -7.658 -1.230 649 HB2 MET 83 2HB MET 83 -4.741 -5.415 -0.482 650 HB3 MET 83 1HB MET 83 -4.325 -6.507 -1.803 651 HG2 MET 83 2HG MET 83 -5.641 -5.137 -3.369 652 HG3 MET 83 1HG MET 83 -6.092 -4.053 -2.052 653 HE1 MET 83 1HE MET 83 -2.493 -5.776 -2.959 654 HE2 MET 83 2HE MET 83 -2.111 -4.573 -4.187 655 HE3 MET 83 3HE MET 83 -3.594 -5.514 -4.318 656 H THR 84 H THR 84 -6.004 -7.877 1.005 657 HA THR 84 HA THR 84 -7.794 -6.070 2.588 658 HB THR 84 HB THR 84 -6.843 -8.911 2.996 659 HG1 THR 84 1HG THR 84 -8.986 -7.886 2.059 660 HG21 THR 84 1HG2 THR 84 -7.872 -6.955 5.056 661 HG22 THR 84 2HG2 THR 84 -6.416 -7.948 5.133 662 HG23 THR 84 3HG2 THR 84 -8.004 -8.701 5.266 663 H TRP 85 H TRP 85 -6.893 -5.289 4.680 664 HA TRP 85 HA TRP 85 -3.915 -5.059 4.512 665 HB2 TRP 85 2HB TRP 85 -5.564 -3.022 4.437 666 HB3 TRP 85 1HB TRP 85 -5.645 -3.261 6.183 667 HD1 TRP 85 HD TRP 85 -3.774 -2.225 7.565 668 HE1 TRP 85 1HE TRP 85 -1.479 -1.168 7.048 669 HE3 TRP 85 3HE TRP 85 -3.441 -3.242 2.573 670 HZ2 TRP 85 2HZ TRP 85 0.265 -0.802 4.811 671 HZ3 TRP 85 3HZ TRP 85 -1.454 -2.527 1.274 672 HH2 TRP 85 HH TRP 85 0.397 -1.310 2.385 673 H ARG 86 H ARG 86 -2.718 -6.053 6.084 674 HA ARG 86 HA ARG 86 -4.116 -6.791 8.634 675 HB2 ARG 86 2HB ARG 86 -3.320 -8.703 7.200 676 HB3 ARG 86 1HB ARG 86 -1.675 -8.114 7.415 677 HG2 ARG 86 2HG ARG 86 -1.934 -8.347 9.871 678 HG3 ARG 86 1HG ARG 86 -3.559 -8.990 9.623 679 HD2 ARG 86 2HD ARG 86 -2.529 -10.782 8.166 680 HD3 ARG 86 1HD ARG 86 -0.948 -10.208 8.693 681 HE ARG 86 HE ARG 86 -2.345 -10.670 11.057 682 HH11 ARG 86 1HH1 ARG 86 -2.276 -12.671 12.116 683 HH12 ARG 86 2HH1 ARG 86 -1.881 -14.097 11.219 684 HH21 ARG 86 1HH2 ARG 86 -1.507 -12.420 8.208 685 HH22 ARG 86 2HH2 ARG 86 -1.447 -13.957 9.006 686 H ILE 87 H ILE 87 -3.551 -4.955 9.876 687 HA ILE 87 HA ILE 87 -0.671 -4.780 10.564 688 HB ILE 87 HB ILE 87 -1.268 -3.063 8.760 689 HG12 ILE 87 2HG1 ILE 87 -0.400 -1.803 11.368 690 HG13 ILE 87 1HG1 ILE 87 0.638 -2.935 10.501 691 HG21 ILE 87 1HG2 ILE 87 -2.645 -1.232 9.312 692 HG22 ILE 87 2HG2 ILE 87 -2.578 -1.585 11.038 693 HG23 ILE 87 3HG2 ILE 87 -3.524 -2.615 9.963 694 HD11 ILE 87 1HD1 ILE 87 1.001 -0.470 9.954 695 HD12 ILE 87 2HD1 ILE 87 -0.579 -0.505 9.173 696 HD13 ILE 87 3HD1 ILE 87 0.724 -1.527 8.572 697 H ASP 88 H ASP 88 -0.318 -3.708 12.647 698 HA ASP 88 HA ASP 88 -2.764 -3.784 14.358 699 HB2 ASP 88 2HB ASP 88 -1.116 -5.402 15.056 700 HB3 ASP 88 1HB ASP 88 0.139 -4.163 15.092 701 H GLY 89 H GLY 89 -2.588 -2.297 16.298 702 HA2 GLY 89 2HA GLY 89 -2.468 0.407 15.434 703 HA3 GLY 89 1HA GLY 89 -2.516 -0.103 17.120 704 H HIS 90 H HIS 90 -0.027 -1.592 17.080 705 HA HIS 90 HA HIS 90 1.852 0.724 16.913 706 HB2 HIS 90 2HB HIS 90 1.310 -1.141 18.989 707 HB3 HIS 90 1HB HIS 90 2.946 -1.457 18.420 708 HD1 HIS 90 1HD HIS 90 1.504 0.405 20.951 709 HD2 HIS 90 2HD HIS 90 4.133 1.447 17.888 710 HE1 HIS 90 1HE HIS 90 2.656 2.540 21.693 711 HE2 HIS 90 2HE HIS 90 4.260 3.183 19.835 712 H TRP 91 H TRP 91 1.230 -0.891 14.596 713 HA TRP 91 HA TRP 91 2.341 -2.000 12.856 714 HB2 TRP 91 2HB TRP 91 4.707 -0.855 14.357 715 HB3 TRP 91 1HB TRP 91 4.834 -1.647 12.792 716 HD1 TRP 91 HD TRP 91 3.100 -0.550 10.856 717 HE1 TRP 91 1HE TRP 91 2.713 1.951 10.376 718 HE3 TRP 91 3HE TRP 91 4.680 1.460 15.265 719 HZ2 TRP 91 2HZ TRP 91 3.047 4.464 11.688 720 HZ3 TRP 91 3HZ TRP 91 4.642 3.906 15.631 721 HH2 TRP 91 HH TRP 91 3.822 5.416 13.845 722 H GLN 92 H GLN 92 1.825 -3.492 15.453 723 HA GLN 92 HA GLN 92 4.076 -5.446 15.341 724 HB2 GLN 92 2HB GLN 92 1.769 -5.191 17.296 725 HB3 GLN 92 1HB GLN 92 3.057 -6.395 17.396 726 HG2 GLN 92 2HG GLN 92 4.736 -4.605 17.590 727 HG3 GLN 92 1HG GLN 92 3.466 -3.398 17.446 728 HE21 GLN 92 1HE2 GLN 92 5.100 -3.482 19.777 729 HE22 GLN 92 2HE2 GLN 92 4.147 -3.978 21.092 730 H SER 93 H SER 93 3.787 -7.260 14.141 731 HA SER 93 HA SER 93 1.334 -7.806 12.766 732 HB2 SER 93 2HB SER 93 2.436 -9.696 11.878 733 HB3 SER 93 1HB SER 93 3.746 -8.560 12.188 734 HG SER 93 HG SER 93 4.145 -10.695 12.998 735 H VAL 94 H VAL 94 -0.177 -9.524 13.127 736 HA VAL 94 HA VAL 94 -0.035 -10.947 15.723 737 HB VAL 94 HB VAL 94 -2.647 -10.203 15.780 738 HG11 VAL 94 1HG1 VAL 94 -1.451 -9.946 17.761 739 HG12 VAL 94 2HG1 VAL 94 -1.704 -8.262 17.305 740 HG13 VAL 94 3HG1 VAL 94 -0.156 -9.039 16.981 741 HG21 VAL 94 1HG2 VAL 94 -1.224 -7.681 14.935 742 HG22 VAL 94 2HG2 VAL 94 -2.958 -7.971 15.071 743 HG23 VAL 94 3HG2 VAL 94 -2.041 -8.698 13.750 744 HA PRO 95 HA PRO 95 -1.739 -14.353 13.524 745 HB2 PRO 95 2HB PRO 95 -3.863 -15.033 15.256 746 HB3 PRO 95 1HB PRO 95 -2.205 -15.652 15.332 747 HG2 PRO 95 2HG PRO 95 -3.504 -13.530 16.926 748 HG3 PRO 95 1HG PRO 95 -2.199 -14.642 17.366 749 HD2 PRO 95 2HD PRO 95 -1.741 -12.018 16.834 750 HD3 PRO 95 1HD PRO 95 -0.548 -13.282 16.460 751 H ASP 96 H ASP 96 -4.006 -11.908 14.677 752 HA ASP 96 HA ASP 96 -5.357 -11.904 12.084 753 HB2 ASP 96 2HB ASP 96 -6.455 -13.731 13.597 754 HB3 ASP 96 1HB ASP 96 -7.124 -12.347 14.463 755 H ASP 97 H ASP 97 -6.512 -9.945 11.780 756 HA ASP 97 HA ASP 97 -6.028 -7.922 13.909 757 HB2 ASP 97 2HB ASP 97 -6.422 -7.680 10.921 758 HB3 ASP 97 1HB ASP 97 -6.403 -6.294 12.010 759 H ASP 98 H ASP 98 -7.791 -7.407 15.088 760 HA ASP 98 HA ASP 98 -10.477 -8.101 14.259 761 HB2 ASP 98 2HB ASP 98 -9.438 -6.370 16.511 762 HB3 ASP 98 1HB ASP 98 -11.130 -6.820 16.309 763 H ARG 99 H ARG 99 -8.424 -5.320 13.986 764 HA ARG 99 HA ARG 99 -10.675 -3.616 13.074 765 HB2 ARG 99 2HB ARG 99 -8.456 -2.020 12.941 766 HB3 ARG 99 1HB ARG 99 -9.459 -2.190 14.382 767 HG2 ARG 99 2HG ARG 99 -8.001 -3.858 15.306 768 HG3 ARG 99 1HG ARG 99 -7.103 -3.998 13.793 769 HD2 ARG 99 2HD ARG 99 -5.812 -2.645 15.346 770 HD3 ARG 99 1HD ARG 99 -6.400 -1.611 14.046 771 HE ARG 99 HE ARG 99 -8.360 -1.334 15.943 772 HH11 ARG 99 1HH1 ARG 99 -8.283 0.157 17.640 773 HH12 ARG 99 2HH1 ARG 99 -6.749 0.709 18.223 774 HH21 ARG 99 1HH2 ARG 99 -4.914 -1.203 15.985 775 HH22 ARG 99 2HH2 ARG 99 -4.841 -0.060 17.285 776 H ALA 100 H ALA 100 -9.766 -5.843 11.438 777 HA ALA 100 HA ALA 100 -8.149 -4.631 9.299 778 HB1 ALA 100 1HB ALA 100 -7.627 -6.775 8.877 779 HB2 ALA 100 2HB ALA 100 -9.315 -7.127 8.508 780 HB3 ALA 100 3HB ALA 100 -8.723 -7.280 10.162 781 H SER 101 H SER 101 -8.911 -4.203 7.206 782 HA SER 101 HA SER 101 -11.870 -4.295 6.808 783 HB2 SER 101 2HB SER 101 -11.886 -2.058 5.943 784 HB3 SER 101 1HB SER 101 -11.015 -1.983 7.473 785 HG SER 101 HG SER 101 -10.013 -1.952 4.831 786 H GLU 102 H GLU 102 -12.337 -3.874 4.359 787 HA GLU 102 HA GLU 102 -10.293 -5.403 2.802 788 HB2 GLU 102 2HB GLU 102 -13.257 -5.023 2.284 789 HB3 GLU 102 1HB GLU 102 -12.160 -5.989 1.294 790 HG2 GLU 102 2HG GLU 102 -11.656 -7.404 3.277 791 HG3 GLU 102 1HG GLU 102 -12.824 -6.472 4.214 792 H ILE 103 H ILE 103 -9.496 -4.556 0.898 793 HA ILE 103 HA ILE 103 -10.406 -1.794 0.185 794 HB ILE 103 HB ILE 103 -7.639 -3.000 -0.134 795 HG12 ILE 103 2HG1 ILE 103 -8.590 -0.858 1.791 796 HG13 ILE 103 1HG1 ILE 103 -8.354 -2.549 2.240 797 HG21 ILE 103 1HG2 ILE 103 -8.877 -0.841 -1.445 798 HG22 ILE 103 2HG2 ILE 103 -7.152 -1.205 -1.407 799 HG23 ILE 103 3HG2 ILE 103 -7.849 -0.109 -0.214 800 HD11 ILE 103 1HD1 ILE 103 -6.296 -0.510 1.417 801 HD12 ILE 103 2HD1 ILE 103 -5.970 -2.232 1.222 802 HD13 ILE 103 3HD1 ILE 103 -6.299 -1.572 2.826 803 H GLU 104 H GLU 104 -10.830 -1.418 -1.994 804 HA GLU 104 HA GLU 104 -10.596 -3.807 -3.784 805 HB2 GLU 104 2HB GLU 104 -12.920 -2.993 -3.315 806 HB3 GLU 104 1HB GLU 104 -12.482 -1.445 -4.038 807 HG2 GLU 104 2HG GLU 104 -11.890 -2.637 -6.147 808 HG3 GLU 104 1HG GLU 104 -12.446 -4.144 -5.419 809 H VAL 105 H VAL 105 -9.124 -3.602 -5.390 810 HA VAL 105 HA VAL 105 -8.506 -0.864 -6.386 811 HB VAL 105 HB VAL 105 -6.480 -3.067 -5.939 812 HG11 VAL 105 1HG1 VAL 105 -6.076 -0.118 -6.507 813 HG12 VAL 105 2HG1 VAL 105 -6.063 -1.353 -7.764 814 HG13 VAL 105 3HG1 VAL 105 -4.844 -1.379 -6.488 815 HG21 VAL 105 1HG2 VAL 105 -5.805 -1.020 -4.250 816 HG22 VAL 105 2HG2 VAL 105 -6.704 -2.454 -3.759 817 HG23 VAL 105 3HG2 VAL 105 -7.565 -0.970 -4.169 818 H ASP 106 H ASP 106 -8.462 -0.725 -8.618 819 HA ASP 106 HA ASP 106 -8.665 -3.310 -10.110 820 HB2 ASP 106 2HB ASP 106 -9.875 -0.609 -10.752 821 HB3 ASP 106 1HB ASP 106 -9.955 -2.019 -11.812 822 H PHE 107 H PHE 107 -7.138 -3.666 -11.673 823 HA PHE 107 HA PHE 107 -5.352 -1.380 -12.387 824 HB2 PHE 107 2HB PHE 107 -4.822 -4.359 -12.256 825 HB3 PHE 107 1HB PHE 107 -3.685 -3.180 -12.899 826 HD1 PHE 107 1HD PHE 107 -5.767 -3.837 -9.865 827 HD2 PHE 107 2HD PHE 107 -2.145 -2.171 -11.455 828 HE1 PHE 107 1HE PHE 107 -4.970 -3.384 -7.569 829 HE2 PHE 107 2HE PHE 107 -1.346 -1.709 -9.152 830 HZ PHE 107 HZ PHE 107 -2.759 -2.317 -7.205 831 H VAL 108 H VAL 108 -5.578 -0.718 -14.463 832 HA VAL 108 HA VAL 108 -6.557 -2.699 -16.476 833 HB VAL 108 HB VAL 108 -6.895 0.216 -16.957 834 HG11 VAL 108 1HG1 VAL 108 -8.911 -0.550 -18.067 835 HG12 VAL 108 2HG1 VAL 108 -8.738 -2.156 -17.360 836 HG13 VAL 108 3HG1 VAL 108 -7.577 -1.591 -18.562 837 HG21 VAL 108 1HG2 VAL 108 -7.760 0.348 -14.802 838 HG22 VAL 108 2HG2 VAL 108 -8.244 -1.347 -14.783 839 HG23 VAL 108 3HG2 VAL 108 -9.193 -0.169 -15.690 840 HA PRO 109 HA PRO 109 -2.523 -1.652 -18.209 841 HB2 PRO 109 2HB PRO 109 -2.591 -3.273 -20.382 842 HB3 PRO 109 1HB PRO 109 -2.324 -3.892 -18.741 843 HG2 PRO 109 2HG PRO 109 -4.798 -3.906 -20.387 844 HG3 PRO 109 1HG PRO 109 -4.155 -5.151 -19.306 845 HD2 PRO 109 2HD PRO 109 -6.189 -3.423 -18.606 846 HD3 PRO 109 1HD PRO 109 -5.102 -4.199 -17.431 847 H ASN 110 H ASN 110 -2.202 0.217 -19.295 848 HA ASN 110 HA ASN 110 -3.872 0.759 -21.699 849 HB2 ASN 110 2HB ASN 110 -4.253 2.279 -19.709 850 HB3 ASN 110 1HB ASN 110 -2.596 2.838 -19.926 851 HD21 ASN 110 1HD2 ASN 110 -3.647 5.008 -20.408 852 HD22 ASN 110 2HD2 ASN 110 -4.228 5.294 -21.977 853 H GLY 111 H GLY 111 -2.745 0.915 -23.570 854 HA2 GLY 111 2HA GLY 111 -0.891 0.950 -25.010 855 HA3 GLY 111 1HA GLY 111 -0.302 2.240 -23.960 856 H SER 112 H SER 112 1.618 0.676 -25.000 857 HA SER 112 HA SER 112 2.243 -1.694 -23.514 858 HB2 SER 112 2HB SER 112 4.459 -1.493 -24.470 859 HB3 SER 112 1HB SER 112 3.294 -1.017 -25.702 860 HG SER 112 HG SER 112 3.738 1.130 -25.238 861 H GLY 113 H GLY 113 2.531 1.693 -22.801 862 HA2 GLY 113 2HA GLY 113 3.806 0.970 -20.202 863 HA3 GLY 113 1HA GLY 113 4.434 2.329 -21.139 864 H GLY 114 H GLY 114 1.056 1.324 -20.469 865 HA2 GLY 114 2HA GLY 114 0.683 3.900 -19.024 866 HA3 GLY 114 1HA GLY 114 -0.440 3.449 -20.303 867 H THR 115 H THR 115 -0.540 3.652 -17.157 868 HA THR 115 HA THR 115 -2.103 1.131 -16.867 869 HB THR 115 HB THR 115 -0.965 1.722 -14.335 870 HG1 THR 115 1HG THR 115 0.604 2.570 -16.244 871 HG21 THR 115 1HG2 THR 115 -1.386 -0.519 -14.698 872 HG22 THR 115 2HG2 THR 115 0.353 -0.475 -14.974 873 HG23 THR 115 3HG2 THR 115 -0.749 -0.495 -16.343 874 H ARG 116 H ARG 116 -4.119 1.616 -16.237 875 HA ARG 116 HA ARG 116 -4.577 4.167 -14.746 876 HB2 ARG 116 2HB ARG 116 -5.823 3.821 -16.909 877 HB3 ARG 116 1HB ARG 116 -6.621 2.435 -16.155 878 HG2 ARG 116 2HG ARG 116 -7.616 3.821 -14.466 879 HG3 ARG 116 1HG ARG 116 -6.637 5.209 -14.945 880 HD2 ARG 116 2HD ARG 116 -7.731 5.236 -17.136 881 HD3 ARG 116 1HD ARG 116 -8.714 3.849 -16.672 882 HE ARG 116 HE ARG 116 -9.252 5.696 -14.692 883 HH11 ARG 116 1HH1 ARG 116 -10.905 7.229 -14.847 884 HH12 ARG 116 2HH1 ARG 116 -11.450 7.742 -16.408 885 HH21 ARG 116 1HH2 ARG 116 -9.243 5.702 -18.140 886 HH22 ARG 116 2HH2 ARG 116 -10.509 6.876 -18.274 887 H VAL 117 H VAL 117 -4.865 3.846 -12.563 888 HA VAL 117 HA VAL 117 -5.985 1.205 -11.720 889 HB VAL 117 HB VAL 117 -3.840 2.851 -10.371 890 HG11 VAL 117 1HG1 VAL 117 -3.739 0.879 -8.817 891 HG12 VAL 117 2HG1 VAL 117 -5.197 0.253 -9.585 892 HG13 VAL 117 3HG1 VAL 117 -5.253 1.778 -8.700 893 HG21 VAL 117 1HG2 VAL 117 -3.824 0.703 -12.335 894 HG22 VAL 117 2HG2 VAL 117 -2.973 0.232 -10.865 895 HG23 VAL 117 3HG2 VAL 117 -2.480 1.679 -11.743 896 H GLU 118 H GLU 118 -7.566 1.210 -10.203 897 HA GLU 118 HA GLU 118 -8.374 3.874 -9.088 898 HB2 GLU 118 2HB GLU 118 -10.120 1.459 -9.702 899 HB3 GLU 118 1HB GLU 118 -10.681 2.996 -9.045 900 HG2 GLU 118 2HG GLU 118 -9.877 4.147 -11.090 901 HG3 GLU 118 1HG GLU 118 -9.376 2.591 -11.752 902 H LEU 119 H LEU 119 -7.442 3.762 -7.031 903 HA LEU 119 HA LEU 119 -7.782 1.232 -5.500 904 HB2 LEU 119 2HB LEU 119 -5.489 2.223 -5.739 905 HB3 LEU 119 1HB LEU 119 -6.054 3.629 -4.842 906 HG LEU 119 HG LEU 119 -6.603 1.010 -3.567 907 HD11 LEU 119 1HD1 LEU 119 -3.793 2.148 -3.685 908 HD12 LEU 119 2HD1 LEU 119 -4.317 0.689 -4.525 909 HD13 LEU 119 3HD1 LEU 119 -4.312 0.738 -2.761 910 HD21 LEU 119 1HD2 LEU 119 -6.890 3.508 -2.726 911 HD22 LEU 119 2HD2 LEU 119 -5.182 3.342 -2.323 912 HD23 LEU 119 3HD2 LEU 119 -6.366 2.250 -1.609 913 H ALA 120 H ALA 120 -9.248 1.156 -3.853 914 HA ALA 120 HA ALA 120 -10.152 3.749 -2.672 915 HB1 ALA 120 1HB ALA 120 -12.191 1.629 -2.811 916 HB2 ALA 120 2HB ALA 120 -11.704 2.263 -4.383 917 HB3 ALA 120 3HB ALA 120 -12.337 3.354 -3.149 918 H HIS 121 H HIS 121 -9.565 3.656 -0.546 919 HA HIS 121 HA HIS 121 -9.582 1.004 0.814 920 HB2 HIS 121 2HB HIS 121 -8.041 1.860 2.333 921 HB3 HIS 121 1HB HIS 121 -7.614 2.781 0.894 922 HD1 HIS 121 1HD HIS 121 -9.617 3.122 4.107 923 HD2 HIS 121 2HD HIS 121 -7.970 5.538 1.133 924 HE1 HIS 121 1HE HIS 121 -9.820 5.514 4.931 925 HE2 HIS 121 2HE HIS 121 -8.845 6.991 3.114 926 H VAL 122 H VAL 122 -11.288 0.537 2.146 927 HA VAL 122 HA VAL 122 -12.916 2.841 3.131 928 HB VAL 122 HB VAL 122 -14.941 1.460 2.706 929 HG11 VAL 122 1HG1 VAL 122 -15.055 2.511 0.715 930 HG12 VAL 122 2HG1 VAL 122 -13.853 1.422 0.021 931 HG13 VAL 122 3HG1 VAL 122 -13.337 2.876 0.873 932 HG21 VAL 122 1HG2 VAL 122 -14.823 -0.604 1.555 933 HG22 VAL 122 2HG2 VAL 122 -13.502 -0.714 2.719 934 HG23 VAL 122 3HG2 VAL 122 -13.163 -0.320 1.034 935 H LYS 123 H LYS 123 -14.193 2.447 4.976 936 HA LYS 123 HA LYS 123 -14.555 1.731 7.141 937 HB2 LYS 123 2HB LYS 123 -14.204 -0.744 5.539 938 HB3 LYS 123 1HB LYS 123 -14.165 -0.918 7.290 939 HG2 LYS 123 2HG LYS 123 -16.462 -1.167 6.551 940 HG3 LYS 123 1HG LYS 123 -16.310 0.350 7.425 941 HD2 LYS 123 2HD LYS 123 -17.577 0.902 5.504 942 HD3 LYS 123 1HD LYS 123 -15.951 1.452 5.128 943 HE2 LYS 123 2HE LYS 123 -17.097 0.168 3.270 944 HE3 LYS 123 1HE LYS 123 -15.532 -0.480 3.748 945 HZ1 LYS 123 1HZ LYS 123 -18.118 -1.454 4.827 946 HZ2 LYS 123 2HZ LYS 123 -16.584 -2.155 5.039 947 HZ3 LYS 123 3HZ LYS 123 -17.323 -2.166 3.508 948 H LEU 124 H LEU 124 -11.762 2.566 6.445 949 HA LEU 124 HA LEU 124 -10.028 0.812 7.982 950 HB2 LEU 124 2HB LEU 124 -9.764 3.617 6.901 951 HB3 LEU 124 1HB LEU 124 -8.563 2.966 8.012 952 HG LEU 124 HG LEU 124 -9.373 1.691 5.379 953 HD11 LEU 124 1HD1 LEU 124 -7.507 2.654 4.411 954 HD12 LEU 124 2HD1 LEU 124 -6.636 2.748 5.939 955 HD13 LEU 124 3HD1 LEU 124 -7.899 3.920 5.574 956 HD21 LEU 124 1HD2 LEU 124 -7.691 0.854 7.684 957 HD22 LEU 124 2HD2 LEU 124 -7.001 0.574 6.085 958 HD23 LEU 124 3HD2 LEU 124 -8.558 -0.134 6.510 959 H HIS 125 H HIS 125 -11.879 3.755 8.554 960 HA HIS 125 HA HIS 125 -11.078 4.530 11.084 961 HB2 HIS 125 2HB HIS 125 -12.826 5.742 9.940 962 HB3 HIS 125 1HB HIS 125 -13.895 4.342 10.013 963 HD1 HIS 125 1HD HIS 125 -11.753 5.871 12.769 964 HD2 HIS 125 2HD HIS 125 -15.760 5.056 11.943 965 HE1 HIS 125 1HE HIS 125 -13.048 6.440 14.870 966 HE2 HIS 125 2HE HIS 125 -15.489 5.958 14.375 967 H ARG 126 H ARG 126 -12.258 1.476 10.251 968 HA ARG 126 HA ARG 126 -13.722 0.657 12.479 969 HB2 ARG 126 2HB ARG 126 -13.262 -0.831 10.578 970 HB3 ARG 126 1HB ARG 126 -11.560 -0.876 11.016 971 HG2 ARG 126 2HG ARG 126 -12.550 -2.898 11.857 972 HG3 ARG 126 1HG ARG 126 -12.258 -1.862 13.250 973 HD2 ARG 126 2HD ARG 126 -14.581 -1.193 13.319 974 HD3 ARG 126 1HD ARG 126 -14.913 -2.018 11.796 975 HE ARG 126 HE ARG 126 -13.864 -3.814 13.829 976 HH11 ARG 126 1HH1 ARG 126 -15.324 -5.335 14.644 977 HH12 ARG 126 2HH1 ARG 126 -17.021 -5.118 14.373 978 HH21 ARG 126 1HH2 ARG 126 -16.630 -2.167 12.596 979 HH22 ARG 126 2HH2 ARG 126 -17.761 -3.324 13.214 980 H HIS 127 H HIS 127 -10.257 1.275 12.203 981 HA HIS 127 HA HIS 127 -9.704 0.239 14.880 982 HB2 HIS 127 2HB HIS 127 -7.510 1.646 14.455 983 HB3 HIS 127 1HB HIS 127 -7.769 0.130 13.603 984 HD1 HIS 127 1HD HIS 127 -9.473 3.400 12.722 985 HD2 HIS 127 2HD HIS 127 -6.536 0.858 11.199 986 HE1 HIS 127 1HE HIS 127 -8.922 4.242 10.397 987 HE2 HIS 127 2HE HIS 127 -7.132 2.711 9.466 988 H GLY 128 H GLY 128 -10.449 3.349 13.436 989 HA2 GLY 128 2HA GLY 128 -10.551 5.508 14.424 990 HA3 GLY 128 1HA GLY 128 -11.645 4.633 15.495 991 H ASP 129 H ASP 129 -8.112 4.213 15.268 992 HA ASP 129 HA ASP 129 -7.799 5.585 17.879 993 HB2 ASP 129 2HB ASP 129 -8.313 3.185 18.371 994 HB3 ASP 129 1HB ASP 129 -6.887 2.726 17.440 995 H GLY 130 H GLY 130 -6.415 7.107 16.896 996 HA2 GLY 130 2HA GLY 130 -4.483 7.897 15.780 997 HA3 GLY 130 1HA GLY 130 -3.684 6.699 16.807 998 H ALA 131 H ALA 131 -6.004 6.036 14.235 999 HA ALA 131 HA ALA 131 -4.477 3.921 13.113 1000 HB1 ALA 131 1HB ALA 131 -6.027 4.172 11.167 1001 HB2 ALA 131 2HB ALA 131 -6.659 5.640 11.913 1002 HB3 ALA 131 3HB ALA 131 -6.853 4.086 12.721 1003 H TRP 132 H TRP 132 -4.874 7.312 11.965 1004 HA TRP 132 HA TRP 132 -3.189 7.030 9.708 1005 HB2 TRP 132 2HB TRP 132 -4.600 9.067 10.251 1006 HB3 TRP 132 1HB TRP 132 -3.339 9.542 11.396 1007 HD1 TRP 132 HD TRP 132 -0.890 10.025 10.366 1008 HE1 TRP 132 1HE TRP 132 -0.180 10.825 8.022 1009 HE3 TRP 132 3HE TRP 132 -5.182 9.038 7.745 1010 HZ2 TRP 132 2HZ TRP 132 -1.276 11.020 5.397 1011 HZ3 TRP 132 3HZ TRP 132 -5.308 9.547 5.327 1012 HH2 TRP 132 HH TRP 132 -3.366 10.537 4.149 1013 H ASN 133 H ASN 133 -2.429 7.367 13.118 1014 HA ASN 133 HA ASN 133 0.304 8.101 12.934 1015 HB2 ASN 133 2HB ASN 133 -1.124 7.685 15.049 1016 HB3 ASN 133 1HB ASN 133 -0.724 5.982 14.833 1017 HD21 ASN 133 1HD2 ASN 133 1.109 5.359 15.971 1018 HD22 ASN 133 2HD2 ASN 133 2.414 6.374 16.357 1019 H ILE 134 H ILE 134 -1.300 4.961 12.659 1020 HA ILE 134 HA ILE 134 1.005 3.345 12.249 1021 HB ILE 134 HB ILE 134 -1.760 3.059 11.053 1022 HG12 ILE 134 2HG1 ILE 134 -0.627 1.902 13.619 1023 HG13 ILE 134 1HG1 ILE 134 -1.710 3.296 13.550 1024 HG21 ILE 134 1HG2 ILE 134 0.478 1.087 11.539 1025 HG22 ILE 134 2HG2 ILE 134 -0.154 1.597 9.974 1026 HG23 ILE 134 3HG2 ILE 134 -1.158 0.635 11.060 1027 HD11 ILE 134 1HD1 ILE 134 -3.339 1.709 13.773 1028 HD12 ILE 134 2HD1 ILE 134 -2.307 0.419 13.154 1029 HD13 ILE 134 3HD1 ILE 134 -3.109 1.520 12.036 1030 H HIS 135 H HIS 135 -1.088 5.178 10.071 1031 HA HIS 135 HA HIS 135 0.259 4.539 7.624 1032 HB2 HIS 135 2HB HIS 135 -1.990 5.539 7.633 1033 HB3 HIS 135 1HB HIS 135 -1.347 7.003 8.379 1034 HD1 HIS 135 1HD HIS 135 1.145 5.861 6.127 1035 HD2 HIS 135 2HD HIS 135 -2.413 7.981 5.683 1036 HE1 HIS 135 1HE HIS 135 1.272 6.961 3.855 1037 HE2 HIS 135 2HE HIS 135 -0.894 8.274 3.570 1038 H LYS 136 H LYS 136 0.819 6.914 10.159 1039 HA LYS 136 HA LYS 136 2.553 8.683 8.839 1040 HB2 LYS 136 2HB LYS 136 1.767 8.837 11.249 1041 HB3 LYS 136 1HB LYS 136 3.008 7.657 11.639 1042 HG2 LYS 136 2HG LYS 136 4.722 9.151 10.708 1043 HG3 LYS 136 1HG LYS 136 3.479 10.347 10.360 1044 HD2 LYS 136 2HD LYS 136 2.895 10.370 12.797 1045 HD3 LYS 136 1HD LYS 136 4.268 9.303 13.092 1046 HE2 LYS 136 2HE LYS 136 4.677 11.870 11.583 1047 HE3 LYS 136 1HE LYS 136 4.583 11.895 13.343 1048 HZ1 LYS 136 1HZ LYS 136 6.502 10.731 13.563 1049 HZ2 LYS 136 2HZ LYS 136 6.845 11.506 12.091 1050 HZ3 LYS 136 3HZ LYS 136 6.312 9.892 12.101 1051 H ALA 137 H ALA 137 3.180 5.439 10.129 1052 HA ALA 137 HA ALA 137 6.037 5.520 9.644 1053 HB1 ALA 137 1HB ALA 137 5.664 2.934 9.450 1054 HB2 ALA 137 2HB ALA 137 4.037 3.315 9.999 1055 HB3 ALA 137 3HB ALA 137 5.426 3.719 11.009 1056 H LEU 138 H LEU 138 3.242 4.378 7.759 1057 HA LEU 138 HA LEU 138 4.794 3.588 5.464 1058 HB2 LEU 138 2HB LEU 138 1.902 4.504 5.578 1059 HB3 LEU 138 1HB LEU 138 2.655 3.612 4.262 1060 HG LEU 138 HG LEU 138 2.298 2.632 7.107 1061 HD11 LEU 138 1HD1 LEU 138 0.622 1.209 6.271 1062 HD12 LEU 138 2HD1 LEU 138 1.159 1.404 4.603 1063 HD13 LEU 138 3HD1 LEU 138 0.315 2.721 5.417 1064 HD21 LEU 138 1HD2 LEU 138 3.820 1.596 4.735 1065 HD22 LEU 138 2HD2 LEU 138 3.066 0.445 5.837 1066 HD23 LEU 138 3HD2 LEU 138 4.271 1.583 6.439 1067 H ASP 139 H ASP 139 3.585 6.598 6.707 1068 HA ASP 139 HA ASP 139 3.923 8.804 6.021 1069 HB2 ASP 139 2HB ASP 139 6.222 7.279 4.996 1070 HB3 ASP 139 1HB ASP 139 5.926 8.798 4.153 1071 H GLY 140 H GLY 140 2.053 9.286 4.903 1072 HA2 GLY 140 2HA GLY 140 1.844 8.475 2.070 1073 HA3 GLY 140 1HA GLY 140 0.562 9.233 3.014 1074 HA PRO 141 HA PRO 141 3.513 12.486 0.928 1075 HB2 PRO 141 2HB PRO 141 2.911 12.444 -1.735 1076 HB3 PRO 141 1HB PRO 141 4.258 11.532 -1.028 1077 HG2 PRO 141 2HG PRO 141 1.556 10.596 -1.840 1078 HG3 PRO 141 1HG PRO 141 3.126 9.790 -1.994 1079 HD2 PRO 141 2HD PRO 141 1.308 9.174 -0.032 1080 HD3 PRO 141 1HD PRO 141 3.062 8.959 0.159 1081 H SER 142 H SER 142 2.727 14.587 0.568 1082 HA SER 142 HA SER 142 -0.240 14.812 0.310 1083 HB2 SER 142 2HB SER 142 1.064 17.227 1.219 1084 HB3 SER 142 1HB SER 142 -0.184 16.274 2.013 1085 HG SER 142 HG SER 142 2.480 15.371 1.938 1086 HA PRO 143 HA PRO 143 1.830 18.293 -2.451 1087 HB2 PRO 143 2HB PRO 143 4.408 16.988 -3.092 1088 HB3 PRO 143 1HB PRO 143 4.077 18.673 -2.644 1089 HG2 PRO 143 2HG PRO 143 5.287 16.968 -0.973 1090 HG3 PRO 143 1HG PRO 143 4.197 18.242 -0.400 1091 HD2 PRO 143 2HD PRO 143 3.681 15.304 -0.680 1092 HD3 PRO 143 1HD PRO 143 3.110 16.436 0.567 1093 H GLY 144 H GLY 144 2.241 14.846 -2.871 1094 HA2 GLY 144 2HA GLY 144 1.164 15.098 -5.626 1095 HA3 GLY 144 1HA GLY 144 2.640 14.162 -5.386 1096 H GLU 145 H GLU 145 0.732 12.675 -6.409 1097 HA GLU 145 HA GLU 145 -0.821 11.427 -4.220 1098 HB2 GLU 145 2HB GLU 145 -0.829 10.910 -7.200 1099 HB3 GLU 145 1HB GLU 145 -1.910 10.147 -6.038 1100 HG2 GLU 145 2HG GLU 145 -1.713 13.134 -6.528 1101 HG3 GLU 145 1HG GLU 145 -2.981 12.087 -7.163 1102 H THR 146 H THR 146 -0.751 9.004 -4.072 1103 HA THR 146 HA THR 146 1.889 8.049 -3.718 1104 HB THR 146 HB THR 146 -0.657 6.490 -4.174 1105 HG1 THR 146 1HG THR 146 -0.737 6.460 -1.953 1106 HG21 THR 146 1HG2 THR 146 0.787 4.803 -2.750 1107 HG22 THR 146 2HG2 THR 146 2.136 5.691 -3.460 1108 HG23 THR 146 3HG2 THR 146 0.968 4.877 -4.504 1109 H LEU 147 H LEU 147 -0.326 7.701 -6.460 1110 HA LEU 147 HA LEU 147 1.377 5.948 -7.958 1111 HB2 LEU 147 2HB LEU 147 -0.729 7.884 -8.946 1112 HB3 LEU 147 1HB LEU 147 -0.014 6.568 -9.872 1113 HG LEU 147 HG LEU 147 -0.755 5.090 -7.818 1114 HD11 LEU 147 1HD1 LEU 147 -1.919 6.192 -6.244 1115 HD12 LEU 147 2HD1 LEU 147 -3.217 6.369 -7.422 1116 HD13 LEU 147 3HD1 LEU 147 -2.024 7.647 -7.230 1117 HD21 LEU 147 1HD2 LEU 147 -3.227 5.341 -9.057 1118 HD22 LEU 147 2HD2 LEU 147 -1.902 4.318 -9.606 1119 HD23 LEU 147 3HD2 LEU 147 -2.107 5.930 -10.282 1120 H ALA 148 H ALA 148 1.321 9.385 -7.442 1121 HA ALA 148 HA ALA 148 2.783 10.197 -9.765 1122 HB1 ALA 148 1HB ALA 148 3.406 11.893 -7.546 1123 HB2 ALA 148 2HB ALA 148 1.706 11.430 -7.445 1124 HB3 ALA 148 3HB ALA 148 2.322 12.213 -8.901 1125 H ARG 149 H ARG 149 3.954 9.421 -6.463 1126 HA ARG 149 HA ARG 149 6.686 10.018 -7.172 1127 HB2 ARG 149 2HB ARG 149 7.105 8.633 -4.984 1128 HB3 ARG 149 1HB ARG 149 6.329 10.213 -4.889 1129 HG2 ARG 149 2HG ARG 149 4.300 9.328 -4.318 1130 HG3 ARG 149 1HG ARG 149 4.527 7.908 -5.336 1131 HD2 ARG 149 2HD ARG 149 5.943 6.856 -3.721 1132 HD3 ARG 149 1HD ARG 149 6.069 8.336 -2.774 1133 HE ARG 149 HE ARG 149 3.333 7.338 -3.045 1134 HH11 ARG 149 1HH1 ARG 149 2.378 6.636 -1.118 1135 HH12 ARG 149 2HH1 ARG 149 3.371 6.373 0.278 1136 HH21 ARG 149 1HH2 ARG 149 6.316 7.267 -1.320 1137 HH22 ARG 149 2HH2 ARG 149 5.600 6.729 0.163 1138 H PHE 150 H PHE 150 5.026 6.864 -6.654 1139 HA PHE 150 HA PHE 150 7.367 5.345 -7.346 1140 HB2 PHE 150 2HB PHE 150 6.091 3.525 -6.881 1141 HB3 PHE 150 1HB PHE 150 4.940 4.715 -6.271 1142 HD1 PHE 150 1HD PHE 150 5.184 1.905 -8.257 1143 HD2 PHE 150 2HD PHE 150 3.575 5.870 -8.319 1144 HE1 PHE 150 1HE PHE 150 3.533 1.203 -9.970 1145 HE2 PHE 150 2HE PHE 150 1.922 5.181 -10.039 1146 HZ PHE 150 HZ PHE 150 1.913 2.845 -10.858 1147 H ALA 151 H ALA 151 4.774 6.743 -9.258 1148 HA ALA 151 HA ALA 151 5.183 5.308 -11.679 1149 HB1 ALA 151 1HB ALA 151 4.239 8.118 -11.098 1150 HB2 ALA 151 2HB ALA 151 3.256 6.717 -11.525 1151 HB3 ALA 151 3HB ALA 151 4.295 7.470 -12.736 1152 H ASN 152 H ASN 152 6.638 8.310 -10.493 1153 HA ASN 152 HA ASN 152 8.244 8.841 -12.782 1154 HB2 ASN 152 2HB ASN 152 9.011 10.592 -11.567 1155 HB3 ASN 152 1HB ASN 152 7.819 10.090 -10.366 1156 HD21 ASN 152 1HD2 ASN 152 8.573 8.992 -8.467 1157 HD22 ASN 152 2HD2 ASN 152 10.224 8.839 -8.100 1158 H VAL 153 H VAL 153 8.874 6.856 -9.909 1159 HA VAL 153 HA VAL 153 11.613 6.273 -10.562 1160 HB VAL 153 HB VAL 153 9.713 4.471 -9.058 1161 HG11 VAL 153 1HG1 VAL 153 11.555 3.277 -8.592 1162 HG12 VAL 153 2HG1 VAL 153 12.389 4.722 -8.020 1163 HG13 VAL 153 3HG1 VAL 153 12.445 4.289 -9.728 1164 HG21 VAL 153 1HG2 VAL 153 11.033 5.926 -7.160 1165 HG22 VAL 153 2HG2 VAL 153 9.406 6.295 -7.737 1166 HG23 VAL 153 3HG2 VAL 153 10.797 7.137 -8.418 1167 H ILE 154 H ILE 154 8.544 4.698 -11.326 1168 HA ILE 154 HA ILE 154 9.721 2.460 -12.699 1169 HB ILE 154 HB ILE 154 6.966 3.692 -12.827 1170 HG12 ILE 154 2HG1 ILE 154 8.007 1.221 -11.428 1171 HG13 ILE 154 1HG1 ILE 154 7.680 2.758 -10.637 1172 HG21 ILE 154 1HG2 ILE 154 8.057 1.118 -13.976 1173 HG22 ILE 154 2HG2 ILE 154 7.329 2.455 -14.864 1174 HG23 ILE 154 3HG2 ILE 154 6.336 1.459 -13.803 1175 HD11 ILE 154 1HD1 ILE 154 5.651 1.066 -12.113 1176 HD12 ILE 154 2HD1 ILE 154 5.324 2.629 -11.366 1177 HD13 ILE 154 3HD1 ILE 154 5.771 1.247 -10.364 1178 HBB 96F 201 HBB SUM 155 -1.912 11.433 -2.346 1179 HBC 96F 201 HBC SUM 155 -0.203 11.697 -1.926 1180 HBA 96F 201 HBA SUM 155 -1.473 11.999 -0.717 1181 HA2 96F 201 2HA SUM 155 -0.647 9.892 -0.068 1182 HA1 96F 201 1HA SUM 155 -0.409 9.362 -1.747 1183 HAY 96F 201 HAY SUM 155 -4.122 9.108 0.284 1184 HAZ 96F 201 HAZ SUM 155 -3.432 10.746 0.163 1185 HA0 96F 201 0HA SUM 155 -2.568 9.483 1.070 1186 HBE 96F 201 HBE SUM 155 -2.573 9.766 -3.004 1187 H1 96F 201 HAV SUM 155 -3.512 7.606 -3.006 1188 HAS 96F 201 HAS SUM 155 -5.744 5.675 -4.948 1189 HAT 96F 201 HAT SUM 155 -4.628 6.914 -4.323 1190 HAU 96F 201 HAU SUM 155 -5.281 5.672 -3.228 1191 HAK 96F 201 HAK SUM 155 -4.570 4.553 -6.503 1192 HAF 96F 201 HAF SUM 155 -2.058 2.005 -9.727 1193 HAE 96F 201 HAE SUM 155 -0.023 0.740 -10.347 1194 HAD 96F 201 HAD SUM 155 1.827 0.481 -8.709 1195 HAR 96F 201 HAR SUM 155 1.386 1.126 -5.385 1196 HAQ 96F 201 HAQ SUM 155 -1.738 3.176 -2.265 Start of MODEL 19 1 H MET 1 1HT MET 1 -4.391 15.149 6.466 2 HA MET 1 HA MET 1 -3.778 12.330 6.268 3 HB2 MET 1 2HB MET 1 -1.672 12.717 7.659 4 HB3 MET 1 1HB MET 1 -1.531 13.090 5.940 5 HG2 MET 1 2HG MET 1 -1.796 15.450 6.353 6 HG3 MET 1 1HG MET 1 -2.214 15.161 8.043 7 HE1 MET 1 1HE MET 1 -0.485 16.888 8.813 8 HE2 MET 1 2HE MET 1 0.930 16.132 9.541 9 HE3 MET 1 3HE MET 1 -0.670 15.459 9.838 10 HA PRO 2 HA PRO 2 -5.942 14.453 9.955 11 HB2 PRO 2 2HB PRO 2 -8.340 13.098 9.571 12 HB3 PRO 2 1HB PRO 2 -8.007 14.758 9.044 13 HG2 PRO 2 2HG PRO 2 -8.019 12.242 7.483 14 HG3 PRO 2 1HG PRO 2 -8.460 13.884 6.991 15 HD2 PRO 2 2HD PRO 2 -6.099 12.698 6.277 16 HD3 PRO 2 1HD PRO 2 -6.283 14.457 6.468 17 H GLU 3 H GLU 3 -6.455 13.371 11.934 18 HA GLU 3 HA GLU 3 -5.138 10.884 12.383 19 HB2 GLU 3 2HB GLU 3 -7.284 12.290 14.004 20 HB3 GLU 3 1HB GLU 3 -6.321 10.932 14.581 21 HG2 GLU 3 2HG GLU 3 -4.255 12.255 14.198 22 HG3 GLU 3 1HG GLU 3 -5.248 13.624 13.696 23 H GLU 4 H GLU 4 -8.408 11.696 11.443 24 HA GLU 4 HA GLU 4 -9.342 8.919 11.834 25 HB2 GLU 4 2HB GLU 4 -10.802 10.900 12.347 26 HB3 GLU 4 1HB GLU 4 -10.799 11.267 10.624 27 HG2 GLU 4 2HG GLU 4 -11.725 9.002 10.165 28 HG3 GLU 4 1HG GLU 4 -11.814 8.716 11.906 29 H ILE 5 H ILE 5 -9.747 7.506 10.128 30 HA ILE 5 HA ILE 5 -8.935 8.469 7.416 31 HB ILE 5 HB ILE 5 -8.787 5.585 7.841 32 HG12 ILE 5 2HG1 ILE 5 -8.137 6.435 10.122 33 HG13 ILE 5 1HG1 ILE 5 -6.888 5.525 9.287 34 HG21 ILE 5 1HG2 ILE 5 -6.511 5.999 6.878 35 HG22 ILE 5 2HG2 ILE 5 -6.902 7.714 6.858 36 HG23 ILE 5 3HG2 ILE 5 -7.844 6.586 5.886 37 HD11 ILE 5 1HD1 ILE 5 -6.921 8.420 8.747 38 HD12 ILE 5 2HD1 ILE 5 -5.559 7.332 9.018 39 HD13 ILE 5 3HD1 ILE 5 -6.473 7.961 10.389 40 HA PRO 6 HA PRO 6 -13.237 6.948 6.971 41 HB2 PRO 6 2HB PRO 6 -14.091 8.923 5.290 42 HB3 PRO 6 1HB PRO 6 -14.078 9.095 7.055 43 HG2 PRO 6 2HG PRO 6 -12.272 10.256 5.033 44 HG3 PRO 6 1HG PRO 6 -12.730 10.868 6.629 45 HD2 PRO 6 2HD PRO 6 -10.309 9.567 5.976 46 HD3 PRO 6 1HD PRO 6 -10.908 9.911 7.612 47 H ASP 7 H ASP 7 -14.400 6.264 4.934 48 HA ASP 7 HA ASP 7 -12.587 4.999 3.110 49 HB2 ASP 7 2HB ASP 7 -14.667 4.407 1.854 50 HB3 ASP 7 1HB ASP 7 -14.758 4.010 3.569 51 H VAL 8 H VAL 8 -11.665 5.787 1.303 52 HA VAL 8 HA VAL 8 -12.951 8.079 -0.100 53 HB VAL 8 HB VAL 8 -11.149 8.937 1.415 54 HG11 VAL 8 1HG1 VAL 8 -9.821 6.647 0.677 55 HG12 VAL 8 2HG1 VAL 8 -9.062 8.040 1.447 56 HG13 VAL 8 3HG1 VAL 8 -9.012 7.867 -0.307 57 HG21 VAL 8 1HG2 VAL 8 -10.331 9.131 -1.493 58 HG22 VAL 8 2HG2 VAL 8 -10.157 10.357 -0.236 59 HG23 VAL 8 3HG2 VAL 8 -11.757 9.948 -0.854 60 H ARG 9 H ARG 9 -12.725 7.969 -2.351 61 HA ARG 9 HA ARG 9 -11.123 5.660 -3.395 62 HB2 ARG 9 2HB ARG 9 -13.573 5.275 -3.542 63 HB3 ARG 9 1HB ARG 9 -13.730 6.753 -4.495 64 HG2 ARG 9 2HG ARG 9 -12.198 5.806 -6.196 65 HG3 ARG 9 1HG ARG 9 -12.091 4.317 -5.256 66 HD2 ARG 9 2HD ARG 9 -14.564 4.055 -5.461 67 HD3 ARG 9 1HD ARG 9 -14.602 5.484 -6.492 68 HE ARG 9 HE ARG 9 -13.595 2.829 -7.255 69 HH11 ARG 9 1HH1 ARG 9 -13.062 2.631 -9.443 70 HH12 ARG 9 2HH1 ARG 9 -12.949 4.053 -10.426 71 HH21 ARG 9 1HH2 ARG 9 -13.740 6.224 -7.841 72 HH22 ARG 9 2HH2 ARG 9 -13.333 6.087 -9.519 73 H LYS 10 H LYS 10 -9.558 6.252 -4.810 74 HA LYS 10 HA LYS 10 -9.953 8.735 -6.412 75 HB2 LYS 10 2HB LYS 10 -7.450 8.000 -4.863 76 HB3 LYS 10 1HB LYS 10 -7.570 9.334 -6.015 77 HG2 LYS 10 2HG LYS 10 -9.425 10.294 -4.637 78 HG3 LYS 10 1HG LYS 10 -9.154 9.018 -3.449 79 HD2 LYS 10 2HD LYS 10 -6.791 9.783 -3.218 80 HD3 LYS 10 1HD LYS 10 -7.143 11.113 -4.321 81 HE2 LYS 10 2HE LYS 10 -8.128 12.316 -2.687 82 HE3 LYS 10 1HE LYS 10 -9.119 10.945 -2.190 83 HZ1 LYS 10 1HZ LYS 10 -7.468 10.169 -0.771 84 HZ2 LYS 10 2HZ LYS 10 -7.424 11.851 -0.539 85 HZ3 LYS 10 3HZ LYS 10 -6.250 11.093 -1.505 86 H SER 11 H SER 11 -8.975 8.662 -8.474 87 HA SER 11 HA SER 11 -7.512 6.163 -9.177 88 HB2 SER 11 2HB SER 11 -8.848 5.910 -11.213 89 HB3 SER 11 1HB SER 11 -9.907 5.884 -9.803 90 HG SER 11 HG SER 11 -9.310 8.239 -11.266 91 H VAL 12 H VAL 12 -6.015 6.439 -10.901 92 HA VAL 12 HA VAL 12 -5.870 9.014 -12.296 93 HB VAL 12 HB VAL 12 -4.314 8.504 -9.892 94 HG11 VAL 12 1HG1 VAL 12 -2.554 7.742 -11.402 95 HG12 VAL 12 2HG1 VAL 12 -2.152 9.352 -10.814 96 HG13 VAL 12 3HG1 VAL 12 -2.796 9.149 -12.440 97 HG21 VAL 12 1HG2 VAL 12 -5.642 10.557 -10.560 98 HG22 VAL 12 2HG2 VAL 12 -4.360 10.918 -11.717 99 HG23 VAL 12 3HG2 VAL 12 -4.006 10.886 -9.990 100 H VAL 13 H VAL 13 -4.289 8.941 -14.059 101 HA VAL 13 HA VAL 13 -3.652 6.139 -14.834 102 HB VAL 13 HB VAL 13 -3.722 8.638 -16.552 103 HG11 VAL 13 1HG1 VAL 13 -4.028 6.623 -18.275 104 HG12 VAL 13 2HG1 VAL 13 -3.138 5.746 -17.029 105 HG13 VAL 13 3HG1 VAL 13 -2.427 7.174 -17.783 106 HG21 VAL 13 1HG2 VAL 13 -5.971 8.413 -16.320 107 HG22 VAL 13 2HG2 VAL 13 -5.820 6.815 -15.590 108 HG23 VAL 13 3HG2 VAL 13 -5.791 6.989 -17.344 109 H VAL 14 H VAL 14 -1.535 5.517 -15.046 110 HA VAL 14 HA VAL 14 0.549 7.662 -14.936 111 HB VAL 14 HB VAL 14 1.909 6.174 -13.506 112 HG11 VAL 14 1HG1 VAL 14 0.834 7.638 -12.100 113 HG12 VAL 14 2HG1 VAL 14 0.067 6.149 -11.551 114 HG13 VAL 14 3HG1 VAL 14 -0.763 7.198 -12.696 115 HG21 VAL 14 1HG2 VAL 14 1.388 4.002 -13.262 116 HG22 VAL 14 2HG2 VAL 14 0.026 4.245 -14.356 117 HG23 VAL 14 3HG2 VAL 14 -0.199 4.424 -12.617 118 H ALA 15 H ALA 15 2.693 6.894 -15.764 119 HA ALA 15 HA ALA 15 2.308 5.366 -18.234 120 HB1 ALA 15 1HB ALA 15 4.387 6.194 -18.886 121 HB2 ALA 15 2HB ALA 15 4.993 6.243 -17.230 122 HB3 ALA 15 3HB ALA 15 3.842 7.460 -17.787 123 H ALA 16 H ALA 16 1.956 3.175 -17.574 124 HA ALA 16 HA ALA 16 4.326 1.631 -17.111 125 HB1 ALA 16 1HB ALA 16 3.677 0.813 -14.791 126 HB2 ALA 16 2HB ALA 16 2.587 2.196 -14.703 127 HB3 ALA 16 3HB ALA 16 4.324 2.451 -14.865 128 H SER 17 H SER 17 3.786 -0.706 -16.752 129 HA SER 17 HA SER 17 1.166 -1.333 -17.997 130 HB2 SER 17 2HB SER 17 2.119 -3.494 -18.527 131 HB3 SER 17 1HB SER 17 3.310 -2.274 -18.967 132 HG SER 17 HG SER 17 4.328 -2.671 -16.960 133 H VAL 18 H VAL 18 -0.209 -2.959 -16.945 134 HA VAL 18 HA VAL 18 -0.363 -2.673 -14.119 135 HB VAL 18 HB VAL 18 -2.049 -4.452 -14.226 136 HG11 VAL 18 1HG1 VAL 18 -3.569 -3.295 -15.641 137 HG12 VAL 18 2HG1 VAL 18 -2.279 -2.790 -16.729 138 HG13 VAL 18 3HG1 VAL 18 -2.412 -2.066 -15.132 139 HG21 VAL 18 1HG2 VAL 18 -0.705 -4.936 -16.868 140 HG22 VAL 18 2HG2 VAL 18 -2.419 -5.316 -16.692 141 HG23 VAL 18 3HG2 VAL 18 -1.229 -6.106 -15.657 142 H GLU 19 H GLU 19 1.031 -5.252 -16.125 143 HA GLU 19 HA GLU 19 1.691 -7.017 -13.981 144 HB2 GLU 19 2HB GLU 19 1.818 -7.604 -16.424 145 HB3 GLU 19 1HB GLU 19 3.257 -6.592 -16.535 146 HG2 GLU 19 2HG GLU 19 4.337 -7.981 -14.772 147 HG3 GLU 19 1HG GLU 19 2.920 -9.032 -14.771 148 H HIS 20 H HIS 20 3.319 -4.238 -15.414 149 HA HIS 20 HA HIS 20 5.753 -4.447 -13.904 150 HB2 HIS 20 2HB HIS 20 5.767 -2.997 -15.811 151 HB3 HIS 20 1HB HIS 20 4.366 -2.101 -15.217 152 HD1 HIS 20 1HD HIS 20 8.036 -2.239 -15.015 153 HD2 HIS 20 2HD HIS 20 4.951 -0.551 -12.757 154 HE1 HIS 20 1HE HIS 20 9.114 -0.582 -13.436 155 HE2 HIS 20 2HE HIS 20 7.248 0.460 -12.083 156 H CYS 21 H CYS 21 2.670 -2.804 -13.340 157 HA CYS 21 HA CYS 21 3.300 -1.275 -11.095 158 HB2 CYS 21 2HB CYS 21 0.789 -2.902 -11.589 159 HB3 CYS 21 1HB CYS 21 0.936 -1.587 -10.428 160 HG CYS 21 HG CYS 21 0.028 -0.889 -12.953 161 H PHE 22 H PHE 22 2.467 -4.730 -11.243 162 HA PHE 22 HA PHE 22 2.864 -4.959 -8.355 163 HB2 PHE 22 2HB PHE 22 1.721 -6.638 -10.425 164 HB3 PHE 22 1HB PHE 22 2.789 -7.554 -9.349 165 HD1 PHE 22 1HD PHE 22 0.012 -5.072 -9.363 166 HD2 PHE 22 2HD PHE 22 2.131 -8.071 -7.136 167 HE1 PHE 22 1HE PHE 22 -1.634 -4.870 -7.533 168 HE2 PHE 22 2HE PHE 22 0.473 -7.882 -5.298 169 HZ PHE 22 HZ PHE 22 -1.408 -6.269 -5.505 170 H GLU 23 H GLU 23 4.772 -5.408 -11.230 171 HA GLU 23 HA GLU 23 6.791 -7.092 -10.129 172 HB2 GLU 23 2HB GLU 23 6.697 -6.496 -12.533 173 HB3 GLU 23 1HB GLU 23 7.106 -4.832 -12.116 174 HG2 GLU 23 2HG GLU 23 9.226 -5.615 -11.104 175 HG3 GLU 23 1HG GLU 23 8.831 -7.266 -11.592 176 H VAL 24 H VAL 24 6.300 -3.588 -10.064 177 HA VAL 24 HA VAL 24 8.711 -2.957 -8.653 178 HB VAL 24 HB VAL 24 6.046 -1.516 -8.823 179 HG11 VAL 24 1HG1 VAL 24 6.865 -0.244 -7.155 180 HG12 VAL 24 2HG1 VAL 24 8.062 0.328 -8.317 181 HG13 VAL 24 3HG1 VAL 24 8.446 -1.018 -7.245 182 HG21 VAL 24 1HG2 VAL 24 8.682 -1.217 -10.300 183 HG22 VAL 24 2HG2 VAL 24 7.339 -0.080 -10.425 184 HG23 VAL 24 3HG2 VAL 24 7.144 -1.741 -10.985 185 H PHE 25 H PHE 25 5.400 -3.685 -7.601 186 HA PHE 25 HA PHE 25 5.719 -3.121 -4.839 187 HB2 PHE 25 2HB PHE 25 3.944 -5.007 -6.372 188 HB3 PHE 25 1HB PHE 25 3.866 -4.903 -4.622 189 HD1 PHE 25 1HD PHE 25 1.481 -4.166 -4.927 190 HD2 PHE 25 2HD PHE 25 4.781 -1.807 -6.379 191 HE1 PHE 25 1HE PHE 25 0.022 -2.183 -5.071 192 HE2 PHE 25 2HE PHE 25 3.318 0.152 -6.508 193 HZ PHE 25 HZ PHE 25 0.946 -0.019 -5.852 194 H THR 26 H THR 26 6.327 -6.139 -6.625 195 HA THR 26 HA THR 26 7.353 -7.324 -4.113 196 HB THR 26 HB THR 26 7.466 -9.417 -5.463 197 HG1 THR 26 1HG THR 26 7.009 -9.380 -7.532 198 HG21 THR 26 1HG2 THR 26 5.119 -7.910 -4.688 199 HG22 THR 26 2HG2 THR 26 5.416 -9.645 -4.561 200 HG23 THR 26 3HG2 THR 26 4.758 -8.968 -6.053 201 H SER 27 H SER 27 8.623 -5.505 -6.628 202 HA SER 27 HA SER 27 11.195 -6.973 -6.646 203 HB2 SER 27 2HB SER 27 10.228 -4.610 -8.247 204 HB3 SER 27 1HB SER 27 11.830 -5.305 -8.386 205 HG SER 27 HG SER 27 11.027 -6.943 -9.443 206 H ARG 28 H ARG 28 9.996 -3.655 -5.912 207 HA ARG 28 HA ARG 28 11.924 -3.372 -3.765 208 HB2 ARG 28 2HB ARG 28 13.170 -1.458 -4.929 209 HB3 ARG 28 1HB ARG 28 13.583 -3.088 -5.432 210 HG2 ARG 28 2HG ARG 28 13.329 -2.005 -7.490 211 HG3 ARG 28 1HG ARG 28 11.745 -2.724 -7.276 212 HD2 ARG 28 2HD ARG 28 10.735 -0.662 -6.792 213 HD3 ARG 28 1HD ARG 28 12.258 0.082 -6.289 214 HE ARG 28 HE ARG 28 11.269 -0.132 -9.031 215 HH11 ARG 28 1HH1 ARG 28 12.568 0.869 -10.587 216 HH12 ARG 28 2HH1 ARG 28 14.181 1.347 -10.173 217 HH21 ARG 28 1HH2 ARG 28 13.964 0.201 -6.907 218 HH22 ARG 28 2HH2 ARG 28 14.971 0.969 -8.089 219 HA PRO 29 HA PRO 29 8.244 -0.411 -4.168 220 HB2 PRO 29 2HB PRO 29 7.180 -1.060 -1.695 221 HB3 PRO 29 1HB PRO 29 6.648 -1.746 -3.243 222 HG2 PRO 29 2HG PRO 29 8.507 -2.871 -1.213 223 HG3 PRO 29 1HG PRO 29 7.271 -3.670 -2.184 224 HD2 PRO 29 2HD PRO 29 9.885 -3.869 -2.821 225 HD3 PRO 29 1HD PRO 29 8.632 -3.800 -4.076 226 H ALA 30 H ALA 30 10.296 -1.247 -1.409 227 HA ALA 30 HA ALA 30 9.983 1.341 -0.121 228 HB1 ALA 30 1HB ALA 30 10.492 -0.264 1.448 229 HB2 ALA 30 2HB ALA 30 12.112 0.355 1.130 230 HB3 ALA 30 3HB ALA 30 11.570 -1.134 0.361 231 H ASP 31 H ASP 31 12.423 -0.109 -2.233 232 HA ASP 31 HA ASP 31 14.510 1.742 -1.856 233 HB2 ASP 31 2HB ASP 31 14.448 -0.397 -3.306 234 HB3 ASP 31 1HB ASP 31 13.838 0.661 -4.580 235 H TRP 32 H TRP 32 11.559 2.153 -3.807 236 HA TRP 32 HA TRP 32 12.650 4.658 -4.922 237 HB2 TRP 32 2HB TRP 32 11.162 4.343 -6.565 238 HB3 TRP 32 1HB TRP 32 10.723 2.815 -5.805 239 HD1 TRP 32 HD TRP 32 9.714 6.527 -5.808 240 HE1 TRP 32 1HE TRP 32 7.252 6.703 -5.081 241 HE3 TRP 32 3HE TRP 32 8.797 1.661 -4.679 242 HZ2 TRP 32 2HZ TRP 32 5.180 4.986 -4.150 243 HZ3 TRP 32 3HZ TRP 32 6.544 0.950 -3.878 244 HH2 TRP 32 HH TRP 32 4.735 2.610 -3.621 245 H TRP 33 H TRP 33 10.991 3.767 -2.092 246 HA TRP 33 HA TRP 33 9.274 6.012 -1.775 247 HB2 TRP 33 2HB TRP 33 9.910 3.801 -0.234 248 HB3 TRP 33 1HB TRP 33 10.517 5.153 0.725 249 HD1 TRP 33 HD TRP 33 8.581 7.375 0.382 250 HE1 TRP 33 1HE TRP 33 6.097 7.216 1.057 251 HE3 TRP 33 3HE TRP 33 7.979 2.306 0.338 252 HZ2 TRP 33 2HZ TRP 33 4.118 5.203 1.514 253 HZ3 TRP 33 3HZ TRP 33 5.787 1.296 0.892 254 HH2 TRP 33 HH TRP 33 3.857 2.736 1.480 255 HA PRO 34 HA PRO 34 13.032 8.108 0.580 256 HB2 PRO 34 2HB PRO 34 15.395 7.427 -0.895 257 HB3 PRO 34 1HB PRO 34 15.047 7.160 0.814 258 HG2 PRO 34 2HG PRO 34 15.020 5.265 -1.362 259 HG3 PRO 34 1HG PRO 34 14.932 4.979 0.377 260 HD2 PRO 34 2HD PRO 34 12.842 4.636 -1.435 261 HD3 PRO 34 1HD PRO 34 12.675 4.735 0.324 262 HA PRO 35 HA PRO 35 14.509 10.176 -3.571 263 HB2 PRO 35 2HB PRO 35 13.371 9.030 -5.848 264 HB3 PRO 35 1HB PRO 35 15.046 8.814 -5.314 265 HG2 PRO 35 2HG PRO 35 12.713 7.019 -4.994 266 HG3 PRO 35 1HG PRO 35 14.421 6.626 -5.240 267 HD2 PRO 35 2HD PRO 35 13.225 6.387 -2.820 268 HD3 PRO 35 1HD PRO 35 14.936 6.827 -2.995 269 H SER 36 H SER 36 11.393 8.917 -2.832 270 HA SER 36 HA SER 36 9.761 10.575 -4.494 271 HB2 SER 36 2HB SER 36 8.915 8.632 -3.175 272 HB3 SER 36 1HB SER 36 9.152 9.564 -1.699 273 HG SER 36 HG SER 36 7.819 11.166 -3.168 274 H HIS 37 H HIS 37 8.612 12.543 -3.883 275 HA HIS 37 HA HIS 37 10.219 14.609 -2.871 276 HB2 HIS 37 2HB HIS 37 7.193 14.400 -2.807 277 HB3 HIS 37 1HB HIS 37 8.110 15.892 -2.592 278 HD1 HIS 37 1HD HIS 37 9.829 16.416 -4.703 279 HD2 HIS 37 2HD HIS 37 6.600 13.884 -5.459 280 HE1 HIS 37 1HE HIS 37 9.536 16.358 -7.220 281 HE2 HIS 37 2HE HIS 37 7.574 14.821 -7.690 282 H VAL 38 H VAL 38 8.030 12.435 -1.133 283 HA VAL 38 HA VAL 38 8.825 13.757 1.423 284 HB VAL 38 HB VAL 38 6.632 11.722 0.919 285 HG11 VAL 38 1HG1 VAL 38 7.890 12.543 3.294 286 HG12 VAL 38 2HG1 VAL 38 6.359 11.678 3.156 287 HG13 VAL 38 3HG1 VAL 38 6.372 13.440 3.245 288 HG21 VAL 38 1HG2 VAL 38 6.675 14.736 0.964 289 HG22 VAL 38 2HG2 VAL 38 5.215 13.855 1.409 290 HG23 VAL 38 3HG2 VAL 38 5.904 13.662 -0.202 291 H LEU 39 H LEU 39 10.107 12.651 2.859 292 HA LEU 39 HA LEU 39 11.112 10.004 1.979 293 HB2 LEU 39 2HB LEU 39 12.081 11.758 4.255 294 HB3 LEU 39 1HB LEU 39 12.922 10.376 3.552 295 HG LEU 39 HG LEU 39 12.266 12.986 2.157 296 HD11 LEU 39 1HD1 LEU 39 14.252 13.609 3.026 297 HD12 LEU 39 2HD1 LEU 39 15.000 12.387 1.998 298 HD13 LEU 39 3HD1 LEU 39 14.550 11.989 3.656 299 HD21 LEU 39 1HD2 LEU 39 13.818 11.806 0.389 300 HD22 LEU 39 2HD2 LEU 39 12.098 11.415 0.433 301 HD23 LEU 39 3HD2 LEU 39 13.270 10.326 1.178 302 H VAL 40 H VAL 40 10.859 8.141 3.210 303 HA VAL 40 HA VAL 40 8.639 7.958 5.006 304 HB VAL 40 HB VAL 40 11.010 6.094 4.611 305 HG11 VAL 40 1HG1 VAL 40 9.615 4.373 5.648 306 HG12 VAL 40 2HG1 VAL 40 8.303 5.531 5.863 307 HG13 VAL 40 3HG1 VAL 40 9.801 5.719 6.769 308 HG21 VAL 40 1HG2 VAL 40 9.362 4.829 3.221 309 HG22 VAL 40 2HG2 VAL 40 9.729 6.427 2.568 310 HG23 VAL 40 3HG2 VAL 40 8.217 6.153 3.435 311 H LYS 41 H LYS 41 8.567 8.169 7.261 312 HA LYS 41 HA LYS 41 10.616 9.646 8.580 313 HB2 LYS 41 2HB LYS 41 8.235 9.484 9.352 314 HB3 LYS 41 1HB LYS 41 8.570 7.837 9.880 315 HG2 LYS 41 2HG LYS 41 10.367 8.692 11.363 316 HG3 LYS 41 1HG LYS 41 9.970 10.337 10.867 317 HD2 LYS 41 2HD LYS 41 7.633 9.963 11.700 318 HD3 LYS 41 1HD LYS 41 8.154 8.397 12.325 319 HE2 LYS 41 2HE LYS 41 9.127 11.135 13.164 320 HE3 LYS 41 1HE LYS 41 8.312 9.927 14.159 321 HZ1 LYS 41 1HZ LYS 41 10.783 10.068 14.436 322 HZ2 LYS 41 2HZ LYS 41 10.933 9.449 12.862 323 HZ3 LYS 41 3HZ LYS 41 10.187 8.522 14.074 324 H LYS 42 H LYS 42 9.944 6.184 8.416 325 HA LYS 42 HA LYS 42 12.412 5.624 9.965 326 HB2 LYS 42 2HB LYS 42 10.233 3.783 8.954 327 HB3 LYS 42 1HB LYS 42 11.578 3.309 9.981 328 HG2 LYS 42 2HG LYS 42 10.790 4.951 11.696 329 HG3 LYS 42 1HG LYS 42 9.378 5.265 10.685 330 HD2 LYS 42 2HD LYS 42 10.154 2.549 11.788 331 HD3 LYS 42 1HD LYS 42 8.891 3.586 12.450 332 HE2 LYS 42 2HE LYS 42 7.964 3.569 9.997 333 HE3 LYS 42 1HE LYS 42 8.944 2.114 9.829 334 HZ1 LYS 42 1HZ LYS 42 6.941 2.547 11.977 335 HZ2 LYS 42 2HZ LYS 42 7.805 1.118 11.664 336 HZ3 LYS 42 3HZ LYS 42 6.643 1.671 10.554 337 H GLU 43 H GLU 43 14.163 4.538 8.934 338 HA GLU 43 HA GLU 43 14.158 4.751 6.008 339 HB2 GLU 43 2HB GLU 43 16.284 3.779 7.925 340 HB3 GLU 43 1HB GLU 43 16.522 4.025 6.198 341 HG2 GLU 43 2HG GLU 43 15.890 6.413 6.477 342 HG3 GLU 43 1HG GLU 43 15.744 6.150 8.216 343 H ARG 44 H ARG 44 13.055 3.137 4.968 344 HA ARG 44 HA ARG 44 12.727 0.481 6.001 345 HB2 ARG 44 2HB ARG 44 12.595 1.368 3.098 346 HB3 ARG 44 1HB ARG 44 11.833 -0.065 3.796 347 HG2 ARG 44 2HG ARG 44 10.564 1.490 5.339 348 HG3 ARG 44 1HG ARG 44 11.176 2.833 4.377 349 HD2 ARG 44 2HD ARG 44 10.182 1.803 2.347 350 HD3 ARG 44 1HD ARG 44 9.505 0.523 3.355 351 HE ARG 44 HE ARG 44 8.783 3.282 4.114 352 HH11 ARG 44 1HH1 ARG 44 6.564 3.691 4.083 353 HH12 ARG 44 2HH1 ARG 44 5.492 2.541 3.356 354 HH21 ARG 44 1HH2 ARG 44 8.021 0.340 2.473 355 HH22 ARG 44 2HH2 ARG 44 6.317 0.646 2.448 356 H ALA 45 H ALA 45 13.983 -1.391 5.611 357 HA ALA 45 HA ALA 45 16.616 -0.879 4.271 358 HB1 ALA 45 1HB ALA 45 17.531 -2.553 5.886 359 HB2 ALA 45 2HB ALA 45 15.950 -2.595 6.670 360 HB3 ALA 45 3HB ALA 45 16.894 -1.104 6.666 361 H GLY 46 H GLY 46 14.320 -3.507 5.092 362 HA2 GLY 46 2HA GLY 46 15.175 -4.837 2.548 363 HA3 GLY 46 1HA GLY 46 15.052 -5.763 4.040 364 H LEU 47 H LEU 47 13.531 -6.616 1.956 365 HA LEU 47 HA LEU 47 10.820 -6.070 2.964 366 HB2 LEU 47 2HB LEU 47 10.580 -6.057 0.125 367 HB3 LEU 47 1HB LEU 47 10.174 -4.764 1.253 368 HG LEU 47 HG LEU 47 12.481 -3.926 1.157 369 HD11 LEU 47 1HD1 LEU 47 12.965 -6.541 0.031 370 HD12 LEU 47 2HD1 LEU 47 14.136 -5.343 0.575 371 HD13 LEU 47 3HD1 LEU 47 13.534 -5.297 -1.081 372 HD21 LEU 47 1HD2 LEU 47 11.783 -4.375 -1.714 373 HD22 LEU 47 2HD2 LEU 47 12.272 -2.889 -0.904 374 HD23 LEU 47 3HD2 LEU 47 10.634 -3.509 -0.694 375 H ALA 48 H ALA 48 9.633 -7.922 2.969 376 HA ALA 48 HA ALA 48 10.669 -10.234 1.378 377 HB1 ALA 48 1HB ALA 48 8.610 -10.723 3.451 378 HB2 ALA 48 2HB ALA 48 10.155 -10.134 4.069 379 HB3 ALA 48 3HB ALA 48 10.093 -11.613 3.111 380 H PHE 49 H PHE 49 9.318 -11.024 -0.245 381 HA PHE 49 HA PHE 49 6.480 -10.087 -0.240 382 HB2 PHE 49 2HB PHE 49 8.628 -9.510 -2.179 383 HB3 PHE 49 1HB PHE 49 7.097 -10.028 -2.883 384 HD1 PHE 49 1HD PHE 49 8.830 -7.430 -0.997 385 HD2 PHE 49 2HD PHE 49 5.032 -8.740 -2.499 386 HE1 PHE 49 1HE PHE 49 7.913 -5.167 -0.634 387 HE2 PHE 49 2HE PHE 49 4.102 -6.471 -2.138 388 HZ PHE 49 HZ PHE 49 5.530 -4.685 -1.204 389 H GLU 50 H GLU 50 5.121 -11.795 -0.539 390 HA GLU 50 HA GLU 50 6.089 -13.982 -2.340 391 HB2 GLU 50 2HB GLU 50 6.358 -14.798 -0.060 392 HB3 GLU 50 1HB GLU 50 4.709 -14.357 0.329 393 HG2 GLU 50 2HG GLU 50 4.555 -16.664 -0.112 394 HG3 GLU 50 1HG GLU 50 4.061 -15.946 -1.642 395 HA PRO 51 HA PRO 51 2.025 -12.982 -4.023 396 HB2 PRO 51 2HB PRO 51 1.960 -14.631 -6.124 397 HB3 PRO 51 1HB PRO 51 3.120 -13.290 -6.044 398 HG2 PRO 51 2HG PRO 51 3.551 -16.193 -5.519 399 HG3 PRO 51 1HG PRO 51 4.584 -15.039 -6.381 400 HD2 PRO 51 2HD PRO 51 4.960 -15.805 -3.735 401 HD3 PRO 51 1HD PRO 51 5.583 -14.305 -4.458 402 H PHE 52 H PHE 52 -0.083 -13.694 -3.627 403 HA PHE 52 HA PHE 52 -1.086 -16.316 -3.803 404 HB2 PHE 52 2HB PHE 52 -1.198 -16.654 -1.169 405 HB3 PHE 52 1HB PHE 52 0.184 -17.232 -2.094 406 HD1 PHE 52 1HD PHE 52 1.561 -17.120 -0.012 407 HD2 PHE 52 2HD PHE 52 -0.232 -13.589 -1.692 408 HE1 PHE 52 1HE PHE 52 3.080 -15.683 1.323 409 HE2 PHE 52 2HE PHE 52 1.309 -12.182 -0.405 410 HZ PHE 52 HZ PHE 52 2.947 -13.210 1.125 411 H VAL 53 H VAL 53 -2.998 -16.581 -2.026 412 HA VAL 53 HA VAL 53 -4.572 -14.061 -2.160 413 HB VAL 53 HB VAL 53 -6.089 -15.612 -2.904 414 HG11 VAL 53 1HG1 VAL 53 -4.440 -17.374 -3.141 415 HG12 VAL 53 2HG1 VAL 53 -5.884 -18.050 -2.389 416 HG13 VAL 53 3HG1 VAL 53 -4.468 -17.685 -1.404 417 HG21 VAL 53 1HG2 VAL 53 -7.502 -16.466 -1.172 418 HG22 VAL 53 2HG2 VAL 53 -6.807 -14.977 -0.535 419 HG23 VAL 53 3HG2 VAL 53 -6.167 -16.540 -0.022 420 H GLY 54 H GLY 54 -5.307 -13.096 -0.141 421 HA2 GLY 54 2HA GLY 54 -5.181 -12.709 2.209 422 HA3 GLY 54 1HA GLY 54 -4.959 -14.458 2.402 423 H GLY 55 H GLY 55 -3.123 -12.510 0.265 424 HA2 GLY 55 2HA GLY 55 -0.629 -13.542 1.133 425 HA3 GLY 55 1HA GLY 55 -0.887 -12.266 -0.050 426 H ARG 56 H ARG 56 1.316 -11.975 1.309 427 HA ARG 56 HA ARG 56 0.746 -9.644 3.023 428 HB2 ARG 56 2HB ARG 56 2.244 -12.092 3.960 429 HB3 ARG 56 1HB ARG 56 2.364 -10.525 4.761 430 HG2 ARG 56 2HG ARG 56 -0.104 -10.523 5.057 431 HG3 ARG 56 1HG ARG 56 -0.172 -12.136 4.348 432 HD2 ARG 56 2HD ARG 56 1.385 -12.930 6.142 433 HD3 ARG 56 1HD ARG 56 1.273 -11.336 6.889 434 HE ARG 56 HE ARG 56 -1.363 -12.393 6.475 435 HH11 ARG 56 1HH1 ARG 56 -2.461 -13.205 8.276 436 HH12 ARG 56 2HH1 ARG 56 -1.570 -13.633 9.698 437 HH21 ARG 56 1HH2 ARG 56 1.504 -12.753 8.355 438 HH22 ARG 56 2HH2 ARG 56 0.676 -13.376 9.743 439 H TYR 57 H TYR 57 2.360 -8.169 3.132 440 HA TYR 57 HA TYR 57 4.878 -8.655 1.595 441 HB2 TYR 57 2HB TYR 57 3.456 -5.993 1.902 442 HB3 TYR 57 1HB TYR 57 4.836 -6.345 0.866 443 HD1 TYR 57 1HD TYR 57 1.721 -5.391 0.466 444 HD2 TYR 57 2HD TYR 57 4.026 -8.915 -0.413 445 HE1 TYR 57 1HE TYR 57 0.166 -5.957 -1.377 446 HE2 TYR 57 2HE TYR 57 2.468 -9.475 -2.247 447 HH TYR 57 HH TYR 57 0.263 -9.022 -2.990 448 H TYR 58 H TYR 58 6.786 -7.803 2.664 449 HA TYR 58 HA TYR 58 6.264 -6.801 5.440 450 HB2 TYR 58 2HB TYR 58 8.403 -8.765 4.602 451 HB3 TYR 58 1HB TYR 58 8.061 -8.217 6.244 452 HD1 TYR 58 1HD TYR 58 6.508 -9.374 7.564 453 HD2 TYR 58 2HD TYR 58 6.404 -9.817 3.292 454 HE1 TYR 58 1HE TYR 58 4.725 -11.080 7.779 455 HE2 TYR 58 2HE TYR 58 4.619 -11.505 3.503 456 HH TYR 58 HH TYR 58 3.470 -12.565 6.717 457 H GLU 59 H GLU 59 7.793 -5.430 6.347 458 HA GLU 59 HA GLU 59 9.841 -4.283 4.482 459 HB2 GLU 59 2HB GLU 59 7.930 -2.729 4.761 460 HB3 GLU 59 1HB GLU 59 8.109 -2.817 6.508 461 HG2 GLU 59 2HG GLU 59 10.441 -1.914 6.240 462 HG3 GLU 59 1HG GLU 59 10.103 -1.696 4.522 463 H TRP 60 H TRP 60 11.834 -3.850 5.443 464 HA TRP 60 HA TRP 60 12.146 -4.834 8.252 465 HB2 TRP 60 2HB TRP 60 13.706 -5.084 5.805 466 HB3 TRP 60 1HB TRP 60 14.676 -4.451 7.131 467 HD1 TRP 60 HD TRP 60 14.213 -5.938 9.556 468 HE1 TRP 60 1HE TRP 60 14.277 -8.516 9.748 469 HE3 TRP 60 3HE TRP 60 13.445 -7.217 4.667 470 HZ2 TRP 60 2HZ TRP 60 14.008 -10.812 8.045 471 HZ3 TRP 60 3HZ TRP 60 13.352 -9.594 3.982 472 HH2 TRP 60 HH TRP 60 13.635 -11.391 5.661 473 H ASP 61 H ASP 61 12.688 -3.308 9.794 474 HA ASP 61 HA ASP 61 13.492 -0.616 8.749 475 HB2 ASP 61 2HB ASP 61 11.797 -1.494 10.939 476 HB3 ASP 61 1HB ASP 61 13.066 -0.403 11.506 477 H ILE 62 H ILE 62 15.522 0.161 9.233 478 HA ILE 62 HA ILE 62 17.610 -1.562 9.893 479 HB ILE 62 HB ILE 62 18.991 0.402 10.216 480 HG12 ILE 62 2HG1 ILE 62 17.466 1.666 11.700 481 HG13 ILE 62 1HG1 ILE 62 18.054 2.653 10.379 482 HG21 ILE 62 1HG2 ILE 62 16.855 0.672 8.111 483 HG22 ILE 62 2HG2 ILE 62 18.472 -0.010 7.935 484 HG23 ILE 62 3HG2 ILE 62 18.266 1.724 8.176 485 HD11 ILE 62 1HD1 ILE 62 15.296 1.510 10.788 486 HD12 ILE 62 2HD1 ILE 62 15.846 1.930 9.172 487 HD13 ILE 62 3HD1 ILE 62 15.767 3.163 10.420 488 H ASP 63 H ASP 63 15.687 0.442 12.089 489 HA ASP 63 HA ASP 63 17.111 -0.837 14.376 490 HB2 ASP 63 2HB ASP 63 15.353 1.636 14.244 491 HB3 ASP 63 1HB ASP 63 16.011 0.964 15.736 492 H GLY 64 H GLY 64 14.412 -1.052 12.448 493 HA2 GLY 64 2HA GLY 64 12.784 -2.251 14.631 494 HA3 GLY 64 1HA GLY 64 12.098 -1.573 13.165 495 H THR 65 H THR 65 12.163 -4.273 14.503 496 HA THR 65 HA THR 65 13.486 -6.203 12.920 497 HB THR 65 HB THR 65 10.794 -6.527 14.256 498 HG1 THR 65 1HG THR 65 13.366 -6.703 15.430 499 HG21 THR 65 1HG2 THR 65 12.061 -8.776 14.816 500 HG22 THR 65 2HG2 THR 65 13.012 -8.347 13.397 501 HG23 THR 65 3HG2 THR 65 11.268 -8.563 13.258 502 H GLU 66 H GLU 66 11.963 -7.896 11.683 503 HA GLU 66 HA GLU 66 10.936 -6.502 9.341 504 HB2 GLU 66 2HB GLU 66 12.043 -8.812 9.358 505 HB3 GLU 66 1HB GLU 66 10.553 -9.418 10.046 506 HG2 GLU 66 2HG GLU 66 9.316 -8.492 8.112 507 HG3 GLU 66 1HG GLU 66 10.852 -8.009 7.395 508 H ILE 67 H ILE 67 8.741 -6.198 8.828 509 HA ILE 67 HA ILE 67 6.721 -7.388 10.638 510 HB ILE 67 HB ILE 67 7.380 -5.193 11.629 511 HG12 ILE 67 2HG1 ILE 67 4.616 -4.902 10.499 512 HG13 ILE 67 1HG1 ILE 67 4.981 -6.249 11.577 513 HG21 ILE 67 1HG2 ILE 67 6.148 -4.012 9.129 514 HG22 ILE 67 2HG2 ILE 67 7.889 -4.145 9.379 515 HG23 ILE 67 3HG2 ILE 67 6.917 -3.142 10.457 516 HD11 ILE 67 1HD1 ILE 67 5.213 -4.899 13.402 517 HD12 ILE 67 2HD1 ILE 67 4.188 -3.816 12.463 518 HD13 ILE 67 3HD1 ILE 67 5.937 -3.589 12.469 519 H VAL 68 H VAL 68 4.496 -7.073 9.820 520 HA VAL 68 HA VAL 68 4.474 -6.926 6.840 521 HB VAL 68 HB VAL 68 3.584 -9.011 7.855 522 HG11 VAL 68 1HG1 VAL 68 2.675 -7.385 9.849 523 HG12 VAL 68 2HG1 VAL 68 2.083 -9.023 9.572 524 HG13 VAL 68 3HG1 VAL 68 1.192 -7.642 8.931 525 HG21 VAL 68 1HG2 VAL 68 1.173 -7.512 6.876 526 HG22 VAL 68 2HG2 VAL 68 1.720 -9.135 6.459 527 HG23 VAL 68 3HG2 VAL 68 2.544 -7.728 5.789 528 H TRP 69 H TRP 69 3.383 -5.229 5.878 529 HA TRP 69 HA TRP 69 1.993 -3.350 7.745 530 HB2 TRP 69 2HB TRP 69 2.512 -1.589 6.207 531 HB3 TRP 69 1HB TRP 69 3.984 -2.542 6.394 532 HD1 TRP 69 HD TRP 69 0.954 -2.345 4.001 533 HE1 TRP 69 1HE TRP 69 1.736 -3.013 1.651 534 HE3 TRP 69 3HE TRP 69 5.826 -3.447 4.976 535 HZ2 TRP 69 2HZ TRP 69 4.107 -3.829 0.336 536 HZ3 TRP 69 3HZ TRP 69 7.336 -4.138 3.127 537 HH2 TRP 69 HH TRP 69 6.479 -4.333 0.828 538 H GLY 70 H GLY 70 1.242 -5.659 5.389 539 HA2 GLY 70 2HA GLY 70 -1.505 -4.661 5.271 540 HA3 GLY 70 1HA GLY 70 -0.658 -4.562 3.731 541 H ARG 71 H ARG 71 -2.566 -6.063 3.268 542 HA ARG 71 HA ARG 71 -1.581 -8.833 3.342 543 HB2 ARG 71 2HB ARG 71 -3.400 -8.156 5.237 544 HB3 ARG 71 1HB ARG 71 -4.484 -8.551 3.911 545 HG2 ARG 71 2HG ARG 71 -3.305 -10.733 3.642 546 HG3 ARG 71 1HG ARG 71 -2.354 -10.352 5.075 547 HD2 ARG 71 2HD ARG 71 -4.456 -10.144 6.383 548 HD3 ARG 71 1HD ARG 71 -5.371 -10.607 4.949 549 HE ARG 71 HE ARG 71 -3.282 -12.509 5.784 550 HH11 ARG 71 1HH1 ARG 71 -4.064 -14.560 6.319 551 HH12 ARG 71 2HH1 ARG 71 -5.767 -14.797 6.526 552 HH21 ARG 71 1HH2 ARG 71 -6.581 -11.496 5.853 553 HH22 ARG 71 2HH2 ARG 71 -7.190 -13.065 6.262 554 H ILE 72 H ILE 72 -3.442 -10.109 1.993 555 HA ILE 72 HA ILE 72 -4.289 -8.398 -0.271 556 HB ILE 72 HB ILE 72 -2.721 -10.969 -0.403 557 HG12 ILE 72 2HG1 ILE 72 -1.595 -9.549 -2.255 558 HG13 ILE 72 1HG1 ILE 72 -2.458 -8.186 -1.546 559 HG21 ILE 72 1HG2 ILE 72 -3.247 -10.950 -2.868 560 HG22 ILE 72 2HG2 ILE 72 -4.508 -9.769 -2.524 561 HG23 ILE 72 3HG2 ILE 72 -4.607 -11.392 -1.838 562 HD11 ILE 72 1HD1 ILE 72 -0.057 -9.515 -0.611 563 HD12 ILE 72 2HD1 ILE 72 -1.304 -9.544 0.631 564 HD13 ILE 72 3HD1 ILE 72 -0.783 -8.009 -0.052 565 H LEU 73 H LEU 73 -6.074 -9.627 -1.584 566 HA LEU 73 HA LEU 73 -7.680 -11.257 0.342 567 HB2 LEU 73 2HB LEU 73 -8.448 -9.207 -1.706 568 HB3 LEU 73 1HB LEU 73 -9.601 -10.453 -1.238 569 HG LEU 73 HG LEU 73 -8.147 -8.990 0.928 570 HD11 LEU 73 1HD1 LEU 73 -8.965 -7.250 -0.687 571 HD12 LEU 73 2HD1 LEU 73 -9.735 -7.162 0.896 572 HD13 LEU 73 3HD1 LEU 73 -10.598 -7.879 -0.466 573 HD21 LEU 73 1HD2 LEU 73 -9.623 -10.814 1.549 574 HD22 LEU 73 2HD2 LEU 73 -10.929 -10.152 0.566 575 HD23 LEU 73 3HD2 LEU 73 -10.402 -9.304 2.018 576 H GLU 74 H GLU 74 -7.103 -10.809 -3.140 577 HA GLU 74 HA GLU 74 -6.724 -13.585 -3.698 578 HB2 GLU 74 2HB GLU 74 -9.201 -13.590 -3.132 579 HB3 GLU 74 1HB GLU 74 -9.450 -12.524 -4.515 580 HG2 GLU 74 2HG GLU 74 -8.438 -14.240 -5.995 581 HG3 GLU 74 1HG GLU 74 -8.255 -15.311 -4.607 582 H TRP 75 H TRP 75 -6.510 -13.917 -6.079 583 HA TRP 75 HA TRP 75 -5.835 -11.352 -7.411 584 HB2 TRP 75 2HB TRP 75 -4.513 -12.785 -8.958 585 HB3 TRP 75 1HB TRP 75 -4.029 -12.998 -7.273 586 HD1 TRP 75 HD TRP 75 -4.828 -15.229 -6.029 587 HE1 TRP 75 1HE TRP 75 -5.484 -17.545 -6.950 588 HE3 TRP 75 3HE TRP 75 -5.617 -14.038 -10.933 589 HZ2 TRP 75 2HZ TRP 75 -6.243 -18.736 -9.437 590 HZ3 TRP 75 3HZ TRP 75 -6.304 -15.782 -12.553 591 HH2 TRP 75 HH TRP 75 -6.618 -18.127 -11.813 592 H ASP 76 H ASP 76 -7.027 -10.641 -9.139 593 HA ASP 76 HA ASP 76 -9.208 -12.397 -10.101 594 HB2 ASP 76 2HB ASP 76 -9.201 -9.735 -9.445 595 HB3 ASP 76 1HB ASP 76 -9.043 -9.675 -11.202 596 HA PRO 77 HA PRO 77 -6.703 -13.771 -13.565 597 HB2 PRO 77 2HB PRO 77 -9.350 -13.588 -14.948 598 HB3 PRO 77 1HB PRO 77 -8.139 -14.873 -14.997 599 HG2 PRO 77 2HG PRO 77 -10.342 -15.031 -13.473 600 HG3 PRO 77 1HG PRO 77 -8.799 -15.767 -13.013 601 HD2 PRO 77 2HD PRO 77 -10.174 -13.449 -11.825 602 HD3 PRO 77 1HD PRO 77 -8.869 -14.448 -11.145 603 HA PRO 78 HA PRO 78 -7.740 -10.100 -16.624 604 HB2 PRO 78 2HB PRO 78 -8.982 -7.982 -15.255 605 HB3 PRO 78 1HB PRO 78 -9.782 -9.065 -16.406 606 HG2 PRO 78 2HG PRO 78 -9.742 -9.159 -13.433 607 HG3 PRO 78 1HG PRO 78 -11.067 -9.507 -14.559 608 HD2 PRO 78 2HD PRO 78 -9.753 -11.507 -13.375 609 HD3 PRO 78 1HD PRO 78 -10.255 -11.628 -15.075 610 H HIS 79 H HIS 79 -7.381 -7.327 -15.531 611 HA HIS 79 HA HIS 79 -4.774 -7.789 -14.187 612 HB2 HIS 79 2HB HIS 79 -4.704 -5.200 -14.917 613 HB3 HIS 79 1HB HIS 79 -4.267 -6.491 -16.033 614 HD1 HIS 79 1HD HIS 79 -7.701 -5.230 -14.915 615 HD2 HIS 79 2HD HIS 79 -5.556 -5.956 -18.418 616 HE1 HIS 79 1HE HIS 79 -9.292 -4.786 -16.832 617 HE2 HIS 79 2HE HIS 79 -7.999 -5.227 -18.971 618 H ARG 80 H ARG 80 -6.933 -8.229 -12.657 619 HA ARG 80 HA ARG 80 -7.084 -5.750 -10.985 620 HB2 ARG 80 2HB ARG 80 -9.178 -5.777 -12.116 621 HB3 ARG 80 1HB ARG 80 -9.353 -7.519 -11.903 622 HG2 ARG 80 2HG ARG 80 -9.682 -7.273 -9.524 623 HG3 ARG 80 1HG ARG 80 -9.267 -5.563 -9.591 624 HD2 ARG 80 2HD ARG 80 -11.235 -5.178 -11.064 625 HD3 ARG 80 1HD ARG 80 -11.658 -6.877 -10.882 626 HE ARG 80 HE ARG 80 -12.022 -4.795 -8.859 627 HH11 ARG 80 1HH1 ARG 80 -13.054 -5.479 -6.968 628 HH12 ARG 80 2HH1 ARG 80 -13.237 -7.173 -6.660 629 HH21 ARG 80 1HH2 ARG 80 -11.655 -8.145 -9.589 630 HH22 ARG 80 2HH2 ARG 80 -12.444 -8.683 -8.144 631 H LEU 81 H LEU 81 -7.150 -6.078 -8.792 632 HA LEU 81 HA LEU 81 -7.454 -8.774 -7.693 633 HB2 LEU 81 2HB LEU 81 -5.122 -8.083 -6.416 634 HB3 LEU 81 1HB LEU 81 -5.224 -9.202 -7.766 635 HG LEU 81 HG LEU 81 -4.833 -7.323 -9.339 636 HD11 LEU 81 1HD1 LEU 81 -3.817 -5.271 -8.003 637 HD12 LEU 81 2HD1 LEU 81 -4.929 -5.836 -6.759 638 HD13 LEU 81 3HD1 LEU 81 -5.542 -5.368 -8.344 639 HD21 LEU 81 1HD2 LEU 81 -2.941 -8.676 -8.495 640 HD22 LEU 81 2HD2 LEU 81 -2.772 -7.573 -7.129 641 HD23 LEU 81 3HD2 LEU 81 -2.458 -7.002 -8.767 642 H ALA 82 H ALA 82 -8.112 -8.677 -5.553 643 HA ALA 82 HA ALA 82 -8.449 -5.928 -4.426 644 HB1 ALA 82 1HB ALA 82 -10.450 -7.576 -4.802 645 HB2 ALA 82 2HB ALA 82 -10.341 -6.727 -3.260 646 HB3 ALA 82 3HB ALA 82 -9.817 -8.407 -3.380 647 H MET 83 H MET 83 -7.793 -5.641 -2.139 648 HA MET 83 HA MET 83 -6.248 -7.916 -1.061 649 HB2 MET 83 2HB MET 83 -4.465 -6.008 -0.497 650 HB3 MET 83 1HB MET 83 -4.408 -6.930 -1.999 651 HG2 MET 83 2HG MET 83 -6.025 -4.393 -1.798 652 HG3 MET 83 1HG MET 83 -4.302 -4.345 -2.170 653 HE1 MET 83 1HE MET 83 -3.515 -5.036 -5.150 654 HE2 MET 83 2HE MET 83 -3.858 -6.746 -4.906 655 HE3 MET 83 3HE MET 83 -3.227 -5.784 -3.574 656 H THR 84 H THR 84 -5.977 -7.974 1.169 657 HA THR 84 HA THR 84 -7.563 -5.924 2.673 658 HB THR 84 HB THR 84 -6.709 -8.752 3.370 659 HG1 THR 84 1HG THR 84 -9.254 -7.520 3.252 660 HG21 THR 84 1HG2 THR 84 -6.462 -7.652 5.426 661 HG22 THR 84 2HG2 THR 84 -8.135 -8.205 5.478 662 HG23 THR 84 3HG2 THR 84 -7.774 -6.524 5.087 663 H TRP 85 H TRP 85 -6.509 -4.998 4.613 664 HA TRP 85 HA TRP 85 -3.536 -5.074 4.337 665 HB2 TRP 85 2HB TRP 85 -5.489 -2.969 5.158 666 HB3 TRP 85 1HB TRP 85 -3.864 -2.919 5.848 667 HD1 TRP 85 HD TRP 85 -4.769 -4.036 2.276 668 HE1 TRP 85 1HE TRP 85 -3.546 -2.495 0.610 669 HE3 TRP 85 3HE TRP 85 -2.693 -0.691 5.529 670 HZ2 TRP 85 2HZ TRP 85 -1.905 -0.153 0.652 671 HZ3 TRP 85 3HZ TRP 85 -1.307 1.183 4.690 672 HH2 TRP 85 HH TRP 85 -0.910 1.456 2.257 673 H ARG 86 H ARG 86 -2.366 -6.040 5.932 674 HA ARG 86 HA ARG 86 -3.689 -6.379 8.603 675 HB2 ARG 86 2HB ARG 86 -3.249 -8.527 7.457 676 HB3 ARG 86 1HB ARG 86 -1.544 -8.101 7.317 677 HG2 ARG 86 2HG ARG 86 -1.416 -7.953 9.804 678 HG3 ARG 86 1HG ARG 86 -3.097 -8.477 9.895 679 HD2 ARG 86 2HD ARG 86 -0.856 -10.060 8.604 680 HD3 ARG 86 1HD ARG 86 -1.514 -10.366 10.212 681 HE ARG 86 HE ARG 86 -2.812 -11.022 7.664 682 HH11 ARG 86 1HH1 ARG 86 -4.750 -12.170 7.866 683 HH12 ARG 86 2HH1 ARG 86 -5.519 -12.281 9.414 684 HH21 ARG 86 1HH2 ARG 86 -3.100 -10.407 11.044 685 HH22 ARG 86 2HH2 ARG 86 -4.584 -11.283 11.214 686 H ILE 87 H ILE 87 -2.855 -4.813 9.916 687 HA ILE 87 HA ILE 87 0.096 -4.643 10.145 688 HB ILE 87 HB ILE 87 -0.741 -2.829 8.567 689 HG12 ILE 87 2HG1 ILE 87 0.385 -1.672 11.122 690 HG13 ILE 87 1HG1 ILE 87 1.346 -2.741 10.099 691 HG21 ILE 87 1HG2 ILE 87 -1.758 -1.412 11.002 692 HG22 ILE 87 2HG2 ILE 87 -2.825 -2.554 10.184 693 HG23 ILE 87 3HG2 ILE 87 -2.180 -1.166 9.307 694 HD11 ILE 87 1HD1 ILE 87 -0.075 -0.369 8.908 695 HD12 ILE 87 2HD1 ILE 87 1.329 -1.238 8.293 696 HD13 ILE 87 3HD1 ILE 87 1.495 -0.173 9.688 697 H ASP 88 H ASP 88 0.767 -3.772 12.235 698 HA ASP 88 HA ASP 88 -1.266 -4.255 14.312 699 HB2 ASP 88 2HB ASP 88 0.944 -5.222 14.644 700 HB3 ASP 88 1HB ASP 88 1.675 -3.622 14.560 701 H GLY 89 H GLY 89 -1.396 -2.732 16.147 702 HA2 GLY 89 2HA GLY 89 -2.040 -0.081 15.216 703 HA3 GLY 89 1HA GLY 89 -2.032 -0.597 16.904 704 H HIS 90 H HIS 90 0.634 -1.361 17.206 705 HA HIS 90 HA HIS 90 2.020 1.263 16.850 706 HB2 HIS 90 2HB HIS 90 1.597 -0.344 19.153 707 HB3 HIS 90 1HB HIS 90 3.319 -0.418 18.787 708 HD1 HIS 90 1HD HIS 90 1.153 1.527 20.738 709 HD2 HIS 90 2HD HIS 90 4.145 2.509 18.004 710 HE1 HIS 90 1HE HIS 90 1.840 3.912 21.254 711 HE2 HIS 90 2HE HIS 90 3.662 4.521 19.597 712 H TRP 91 H TRP 91 1.992 -0.728 14.774 713 HA TRP 91 HA TRP 91 3.477 -1.829 13.335 714 HB2 TRP 91 2HB TRP 91 5.434 -0.095 14.866 715 HB3 TRP 91 1HB TRP 91 5.853 -1.022 13.431 716 HD1 TRP 91 HD TRP 91 4.240 -0.445 11.207 717 HE1 TRP 91 1HE TRP 91 3.484 1.881 10.393 718 HE3 TRP 91 3HE TRP 91 4.836 2.242 15.497 719 HZ2 TRP 91 2HZ TRP 91 3.188 4.535 11.431 720 HZ3 TRP 91 3HZ TRP 91 4.320 4.659 15.566 721 HH2 TRP 91 HH TRP 91 3.492 5.811 13.534 722 H GLN 92 H GLN 92 2.909 -3.038 16.064 723 HA GLN 92 HA GLN 92 5.466 -4.479 16.535 724 HB2 GLN 92 2HB GLN 92 2.872 -4.453 18.098 725 HB3 GLN 92 1HB GLN 92 4.303 -5.384 18.547 726 HG2 GLN 92 2HG GLN 92 5.627 -3.327 18.698 727 HG3 GLN 92 1HG GLN 92 4.234 -2.379 18.187 728 HE21 GLN 92 1HE2 GLN 92 5.460 -1.879 20.712 729 HE22 GLN 92 2HE2 GLN 92 4.389 -2.350 21.941 730 H SER 93 H SER 93 3.031 -4.868 14.437 731 HA SER 93 HA SER 93 2.075 -6.723 13.347 732 HB2 SER 93 2HB SER 93 3.777 -7.946 12.521 733 HB3 SER 93 1HB SER 93 4.841 -7.138 13.674 734 HG SER 93 HG SER 93 4.279 -8.772 15.183 735 H VAL 94 H VAL 94 0.251 -7.428 14.394 736 HA VAL 94 HA VAL 94 0.568 -9.028 16.886 737 HB VAL 94 HB VAL 94 -2.111 -8.825 16.585 738 HG11 VAL 94 1HG1 VAL 94 -1.772 -6.547 17.863 739 HG12 VAL 94 2HG1 VAL 94 -0.065 -6.986 17.790 740 HG13 VAL 94 3HG1 VAL 94 -1.217 -8.052 18.595 741 HG21 VAL 94 1HG2 VAL 94 -1.037 -6.261 15.381 742 HG22 VAL 94 2HG2 VAL 94 -2.725 -6.724 15.587 743 HG23 VAL 94 3HG2 VAL 94 -1.718 -7.567 14.410 744 HA PRO 95 HA PRO 95 -0.152 -12.927 14.984 745 HB2 PRO 95 2HB PRO 95 -2.282 -13.862 16.578 746 HB3 PRO 95 1HB PRO 95 -0.555 -14.085 16.902 747 HG2 PRO 95 2HG PRO 95 -2.456 -12.133 18.049 748 HG3 PRO 95 1HG PRO 95 -1.026 -12.886 18.774 749 HD2 PRO 95 2HD PRO 95 -1.028 -10.300 17.946 750 HD3 PRO 95 1HD PRO 95 0.429 -11.317 17.867 751 H ASP 96 H ASP 96 -2.978 -10.911 15.595 752 HA ASP 96 HA ASP 96 -4.004 -11.530 12.916 753 HB2 ASP 96 2HB ASP 96 -4.940 -13.270 14.610 754 HB3 ASP 96 1HB ASP 96 -5.896 -11.916 15.215 755 H ASP 97 H ASP 97 -5.500 -9.906 12.216 756 HA ASP 97 HA ASP 97 -5.501 -7.496 13.962 757 HB2 ASP 97 2HB ASP 97 -5.752 -7.850 10.972 758 HB3 ASP 97 1HB ASP 97 -6.058 -6.318 11.789 759 H ASP 98 H ASP 98 -7.381 -7.118 14.990 760 HA ASP 98 HA ASP 98 -9.894 -8.263 13.956 761 HB2 ASP 98 2HB ASP 98 -9.207 -6.747 16.481 762 HB3 ASP 98 1HB ASP 98 -10.824 -7.331 16.096 763 H ARG 99 H ARG 99 -8.081 -5.474 13.666 764 HA ARG 99 HA ARG 99 -10.461 -3.807 13.026 765 HB2 ARG 99 2HB ARG 99 -8.642 -1.937 13.194 766 HB3 ARG 99 1HB ARG 99 -9.290 -2.626 14.683 767 HG2 ARG 99 2HG ARG 99 -7.353 -4.207 14.743 768 HG3 ARG 99 1HG ARG 99 -6.693 -3.406 13.316 769 HD2 ARG 99 2HD ARG 99 -6.677 -1.256 14.593 770 HD3 ARG 99 1HD ARG 99 -7.215 -2.137 16.020 771 HE ARG 99 HE ARG 99 -4.514 -2.156 14.913 772 HH11 ARG 99 1HH1 ARG 99 -3.010 -3.389 16.064 773 HH12 ARG 99 2HH1 ARG 99 -3.566 -4.530 17.243 774 HH21 ARG 99 1HH2 ARG 99 -6.922 -3.824 16.732 775 HH22 ARG 99 2HH2 ARG 99 -5.780 -4.776 17.621 776 H ALA 100 H ALA 100 -9.333 -5.776 11.214 777 HA ALA 100 HA ALA 100 -7.734 -4.246 9.275 778 HB1 ALA 100 1HB ALA 100 -8.933 -6.986 8.852 779 HB2 ALA 100 2HB ALA 100 -7.459 -6.749 9.790 780 HB3 ALA 100 3HB ALA 100 -7.504 -6.291 8.088 781 H SER 101 H SER 101 -8.454 -3.788 7.133 782 HA SER 101 HA SER 101 -11.426 -3.813 6.769 783 HB2 SER 101 2HB SER 101 -11.275 -1.639 5.709 784 HB3 SER 101 1HB SER 101 -10.476 -1.534 7.274 785 HG SER 101 HG SER 101 -8.580 -2.274 5.762 786 H GLU 102 H GLU 102 -11.960 -3.521 4.325 787 HA GLU 102 HA GLU 102 -10.073 -5.257 2.791 788 HB2 GLU 102 2HB GLU 102 -13.028 -4.740 2.362 789 HB3 GLU 102 1HB GLU 102 -12.028 -5.824 1.395 790 HG2 GLU 102 2HG GLU 102 -11.521 -7.145 3.440 791 HG3 GLU 102 1HG GLU 102 -12.596 -6.091 4.362 792 H ILE 103 H ILE 103 -9.274 -4.564 0.842 793 HA ILE 103 HA ILE 103 -10.141 -1.858 -0.099 794 HB ILE 103 HB ILE 103 -7.346 -3.031 -0.215 795 HG12 ILE 103 2HG1 ILE 103 -8.458 -0.821 1.542 796 HG13 ILE 103 1HG1 ILE 103 -8.104 -2.459 2.092 797 HG21 ILE 103 1HG2 ILE 103 -7.760 -1.484 -2.038 798 HG22 ILE 103 2HG2 ILE 103 -6.767 -0.663 -0.834 799 HG23 ILE 103 3HG2 ILE 103 -8.493 -0.319 -0.937 800 HD11 ILE 103 1HD1 ILE 103 -6.089 -1.486 2.626 801 HD12 ILE 103 2HD1 ILE 103 -6.235 -0.254 1.373 802 HD13 ILE 103 3HD1 ILE 103 -5.742 -1.892 0.946 803 H GLU 104 H GLU 104 -10.578 -1.709 -2.273 804 HA GLU 104 HA GLU 104 -10.090 -4.168 -3.916 805 HB2 GLU 104 2HB GLU 104 -12.496 -3.596 -3.499 806 HB3 GLU 104 1HB GLU 104 -12.227 -2.052 -4.311 807 HG2 GLU 104 2HG GLU 104 -11.484 -3.295 -6.344 808 HG3 GLU 104 1HG GLU 104 -11.887 -4.807 -5.530 809 H VAL 105 H VAL 105 -8.687 -3.890 -5.601 810 HA VAL 105 HA VAL 105 -8.367 -1.140 -6.703 811 HB VAL 105 HB VAL 105 -6.077 -3.053 -6.218 812 HG11 VAL 105 1HG1 VAL 105 -5.883 -1.315 -8.041 813 HG12 VAL 105 2HG1 VAL 105 -4.690 -1.143 -6.753 814 HG13 VAL 105 3HG1 VAL 105 -6.095 -0.079 -6.803 815 HG21 VAL 105 1HG2 VAL 105 -7.383 -1.033 -4.470 816 HG22 VAL 105 2HG2 VAL 105 -5.620 -1.018 -4.503 817 HG23 VAL 105 3HG2 VAL 105 -6.480 -2.482 -4.031 818 H ASP 106 H ASP 106 -8.364 -1.089 -8.926 819 HA ASP 106 HA ASP 106 -8.209 -3.727 -10.339 820 HB2 ASP 106 2HB ASP 106 -9.757 -1.243 -11.135 821 HB3 ASP 106 1HB ASP 106 -9.728 -2.772 -12.020 822 H PHE 107 H PHE 107 -6.665 -3.898 -11.922 823 HA PHE 107 HA PHE 107 -5.271 -1.385 -12.720 824 HB2 PHE 107 2HB PHE 107 -4.207 -4.221 -12.555 825 HB3 PHE 107 1HB PHE 107 -3.326 -2.859 -13.213 826 HD1 PHE 107 1HD PHE 107 -1.873 -1.728 -11.802 827 HD2 PHE 107 2HD PHE 107 -5.282 -3.735 -10.131 828 HE1 PHE 107 1HE PHE 107 -1.108 -1.127 -9.521 829 HE2 PHE 107 2HE PHE 107 -4.517 -3.134 -7.854 830 HZ PHE 107 HZ PHE 107 -2.424 -1.836 -7.543 831 H VAL 108 H VAL 108 -5.061 -0.956 -14.863 832 HA VAL 108 HA VAL 108 -5.986 -2.977 -16.844 833 HB VAL 108 HB VAL 108 -6.691 -0.077 -17.149 834 HG11 VAL 108 1HG1 VAL 108 -8.531 -1.071 -18.491 835 HG12 VAL 108 2HG1 VAL 108 -7.910 -2.679 -18.116 836 HG13 VAL 108 3HG1 VAL 108 -6.943 -1.562 -19.080 837 HG21 VAL 108 1HG2 VAL 108 -8.898 -0.601 -16.113 838 HG22 VAL 108 2HG2 VAL 108 -7.573 -0.713 -14.953 839 HG23 VAL 108 3HG2 VAL 108 -8.273 -2.181 -15.638 840 HA PRO 109 HA PRO 109 -2.078 -1.326 -18.442 841 HB2 PRO 109 2HB PRO 109 -1.666 -3.118 -20.420 842 HB3 PRO 109 1HB PRO 109 -1.427 -3.527 -18.710 843 HG2 PRO 109 2HG PRO 109 -3.694 -4.181 -20.511 844 HG3 PRO 109 1HG PRO 109 -2.942 -5.158 -19.243 845 HD2 PRO 109 2HD PRO 109 -5.314 -3.746 -18.935 846 HD3 PRO 109 1HD PRO 109 -4.264 -4.259 -17.594 847 H ASN 110 H ASN 110 -1.740 0.257 -19.897 848 HA ASN 110 HA ASN 110 -3.523 0.404 -22.278 849 HB2 ASN 110 2HB ASN 110 -3.905 2.181 -20.534 850 HB3 ASN 110 1HB ASN 110 -2.254 2.719 -20.821 851 HD21 ASN 110 1HD2 ASN 110 -4.021 4.663 -21.395 852 HD22 ASN 110 2HD2 ASN 110 -4.310 4.803 -23.062 853 H GLY 111 H GLY 111 -2.487 0.871 -24.260 854 HA2 GLY 111 2HA GLY 111 0.317 0.181 -24.404 855 HA3 GLY 111 1HA GLY 111 -0.670 0.749 -25.753 856 H SER 112 H SER 112 1.657 1.833 -25.969 857 HA SER 112 HA SER 112 2.822 3.869 -26.024 858 HB2 SER 112 2HB SER 112 0.232 4.562 -26.300 859 HB3 SER 112 1HB SER 112 0.579 5.358 -24.769 860 HG SER 112 HG SER 112 2.423 5.594 -26.860 861 H GLY 113 H GLY 113 2.194 2.207 -23.376 862 HA2 GLY 113 2HA GLY 113 3.253 2.272 -21.262 863 HA3 GLY 113 1HA GLY 113 3.963 3.826 -21.713 864 H GLY 114 H GLY 114 0.817 2.384 -20.802 865 HA2 GLY 114 2HA GLY 114 0.335 4.743 -19.084 866 HA3 GLY 114 1HA GLY 114 -0.865 4.400 -20.324 867 H THR 115 H THR 115 -0.820 4.211 -17.249 868 HA THR 115 HA THR 115 -2.077 1.511 -17.126 869 HB THR 115 HB THR 115 -0.949 2.217 -14.574 870 HG1 THR 115 1HG THR 115 0.492 3.349 -16.121 871 HG21 THR 115 1HG2 THR 115 -1.371 -0.051 -14.959 872 HG22 THR 115 2HG2 THR 115 0.381 0.050 -15.100 873 HG23 THR 115 3HG2 THR 115 -0.612 -0.035 -16.551 874 H ARG 116 H ARG 116 -4.161 1.769 -16.501 875 HA ARG 116 HA ARG 116 -4.857 4.197 -14.910 876 HB2 ARG 116 2HB ARG 116 -6.078 3.825 -17.056 877 HB3 ARG 116 1HB ARG 116 -6.702 2.311 -16.394 878 HG2 ARG 116 2HG ARG 116 -7.872 3.454 -14.644 879 HG3 ARG 116 1HG ARG 116 -7.055 4.977 -15.007 880 HD2 ARG 116 2HD ARG 116 -8.129 5.054 -17.197 881 HD3 ARG 116 1HD ARG 116 -8.927 3.514 -16.880 882 HE ARG 116 HE ARG 116 -10.486 4.661 -15.520 883 HH11 ARG 116 1HH1 ARG 116 -11.339 6.537 -14.593 884 HH12 ARG 116 2HH1 ARG 116 -10.390 7.986 -14.574 885 HH21 ARG 116 1HH2 ARG 116 -7.674 6.545 -16.178 886 HH22 ARG 116 2HH2 ARG 116 -8.315 7.991 -15.471 887 H VAL 117 H VAL 117 -5.039 3.804 -12.752 888 HA VAL 117 HA VAL 117 -6.016 1.106 -11.903 889 HB VAL 117 HB VAL 117 -3.960 2.849 -10.527 890 HG11 VAL 117 1HG1 VAL 117 -5.064 0.100 -9.867 891 HG12 VAL 117 2HG1 VAL 117 -5.328 1.575 -8.937 892 HG13 VAL 117 3HG1 VAL 117 -3.715 0.870 -9.036 893 HG21 VAL 117 1HG2 VAL 117 -2.734 0.486 -11.083 894 HG22 VAL 117 2HG2 VAL 117 -2.656 1.890 -12.148 895 HG23 VAL 117 3HG2 VAL 117 -3.822 0.605 -12.467 896 H GLU 118 H GLU 118 -7.572 1.056 -10.346 897 HA GLU 118 HA GLU 118 -8.465 3.690 -9.236 898 HB2 GLU 118 2HB GLU 118 -10.127 1.221 -9.844 899 HB3 GLU 118 1HB GLU 118 -10.739 2.725 -9.152 900 HG2 GLU 118 2HG GLU 118 -9.990 3.939 -11.187 901 HG3 GLU 118 1HG GLU 118 -9.462 2.407 -11.884 902 H LEU 119 H LEU 119 -7.524 3.650 -7.204 903 HA LEU 119 HA LEU 119 -7.746 1.136 -5.628 904 HB2 LEU 119 2HB LEU 119 -5.500 2.262 -5.915 905 HB3 LEU 119 1HB LEU 119 -6.134 3.617 -4.987 906 HG LEU 119 HG LEU 119 -6.507 0.947 -3.748 907 HD11 LEU 119 1HD1 LEU 119 -4.223 0.778 -4.739 908 HD12 LEU 119 2HD1 LEU 119 -4.192 0.810 -2.976 909 HD13 LEU 119 3HD1 LEU 119 -3.774 2.257 -3.891 910 HD21 LEU 119 1HD2 LEU 119 -7.150 3.021 -2.603 911 HD22 LEU 119 2HD2 LEU 119 -5.513 3.648 -2.783 912 HD23 LEU 119 3HD2 LEU 119 -5.815 2.256 -1.745 913 H ALA 120 H ALA 120 -9.251 1.035 -4.030 914 HA ALA 120 HA ALA 120 -10.211 3.604 -2.846 915 HB1 ALA 120 1HB ALA 120 -12.398 3.160 -3.308 916 HB2 ALA 120 2HB ALA 120 -12.198 1.425 -3.062 917 HB3 ALA 120 3HB ALA 120 -11.725 2.158 -4.595 918 H HIS 121 H HIS 121 -9.648 3.512 -0.723 919 HA HIS 121 HA HIS 121 -9.685 0.857 0.631 920 HB2 HIS 121 2HB HIS 121 -8.009 1.608 2.010 921 HB3 HIS 121 1HB HIS 121 -7.702 2.689 0.655 922 HD1 HIS 121 1HD HIS 121 -9.542 2.627 3.981 923 HD2 HIS 121 2HD HIS 121 -8.017 5.388 1.253 924 HE1 HIS 121 1HE HIS 121 -9.712 4.904 5.093 925 HE2 HIS 121 2HE HIS 121 -8.811 6.591 3.427 926 H VAL 122 H VAL 122 -11.400 0.430 1.937 927 HA VAL 122 HA VAL 122 -12.933 2.759 3.008 928 HB VAL 122 HB VAL 122 -15.011 1.506 2.521 929 HG11 VAL 122 1HG1 VAL 122 -13.355 2.878 0.754 930 HG12 VAL 122 2HG1 VAL 122 -15.059 2.502 0.501 931 HG13 VAL 122 3HG1 VAL 122 -13.815 1.426 -0.136 932 HG21 VAL 122 1HG2 VAL 122 -15.014 -0.641 1.715 933 HG22 VAL 122 2HG2 VAL 122 -13.381 -0.708 2.377 934 HG23 VAL 122 3HG2 VAL 122 -13.625 -0.346 0.670 935 H LYS 123 H LYS 123 -14.384 2.189 4.808 936 HA LYS 123 HA LYS 123 -14.641 1.438 7.003 937 HB2 LYS 123 2HB LYS 123 -13.941 -1.157 5.605 938 HB3 LYS 123 1HB LYS 123 -14.458 -1.071 7.286 939 HG2 LYS 123 2HG LYS 123 -16.508 -1.411 6.273 940 HG3 LYS 123 1HG LYS 123 -16.455 0.351 6.235 941 HD2 LYS 123 2HD LYS 123 -15.137 -0.191 3.947 942 HD3 LYS 123 1HD LYS 123 -16.190 -1.599 4.014 943 HE2 LYS 123 2HE LYS 123 -18.035 0.212 4.588 944 HE3 LYS 123 1HE LYS 123 -16.912 1.300 3.771 945 HZ1 LYS 123 1HZ LYS 123 -17.359 -1.200 2.403 946 HZ2 LYS 123 2HZ LYS 123 -17.339 0.385 1.794 947 HZ3 LYS 123 3HZ LYS 123 -18.743 -0.228 2.529 948 H LEU 124 H LEU 124 -11.954 2.377 6.145 949 HA LEU 124 HA LEU 124 -10.020 0.717 7.543 950 HB2 LEU 124 2HB LEU 124 -9.738 2.648 5.705 951 HB3 LEU 124 1HB LEU 124 -9.532 3.620 7.158 952 HG LEU 124 HG LEU 124 -7.936 1.641 7.879 953 HD11 LEU 124 1HD1 LEU 124 -7.135 0.281 6.224 954 HD12 LEU 124 2HD1 LEU 124 -7.248 1.540 4.995 955 HD13 LEU 124 3HD1 LEU 124 -8.688 0.640 5.472 956 HD21 LEU 124 1HD2 LEU 124 -7.220 3.756 5.831 957 HD22 LEU 124 2HD2 LEU 124 -6.052 2.879 6.819 958 HD23 LEU 124 3HD2 LEU 124 -7.220 3.955 7.581 959 H HIS 125 H HIS 125 -11.960 3.576 8.251 960 HA HIS 125 HA HIS 125 -11.008 4.405 10.722 961 HB2 HIS 125 2HB HIS 125 -12.818 5.645 9.918 962 HB3 HIS 125 1HB HIS 125 -13.782 4.204 9.602 963 HD1 HIS 125 1HD HIS 125 -12.055 5.439 12.782 964 HD2 HIS 125 2HD HIS 125 -15.822 4.228 11.460 965 HE1 HIS 125 1HE HIS 125 -13.573 5.471 14.812 966 HE2 HIS 125 2HE HIS 125 -15.868 4.740 14.017 967 H ARG 126 H ARG 126 -12.147 1.330 9.933 968 HA ARG 126 HA ARG 126 -13.424 0.416 12.248 969 HB2 ARG 126 2HB ARG 126 -13.019 -0.967 10.219 970 HB3 ARG 126 1HB ARG 126 -11.321 -1.082 10.674 971 HG2 ARG 126 2HG ARG 126 -12.008 -2.108 12.843 972 HG3 ARG 126 1HG ARG 126 -13.681 -2.088 12.285 973 HD2 ARG 126 2HD ARG 126 -11.393 -3.513 10.894 974 HD3 ARG 126 1HD ARG 126 -12.619 -4.292 11.894 975 HE ARG 126 HE ARG 126 -13.680 -2.715 9.653 976 HH11 ARG 126 1HH1 ARG 126 -14.823 -3.923 8.122 977 HH12 ARG 126 2HH1 ARG 126 -14.724 -5.652 8.154 978 HH21 ARG 126 1HH2 ARG 126 -12.589 -5.745 10.885 979 HH22 ARG 126 2HH2 ARG 126 -13.459 -6.683 9.718 980 H HIS 127 H HIS 127 -9.995 1.131 11.750 981 HA HIS 127 HA HIS 127 -9.232 -0.043 14.311 982 HB2 HIS 127 2HB HIS 127 -7.091 1.398 13.829 983 HB3 HIS 127 1HB HIS 127 -7.413 -0.034 12.859 984 HD1 HIS 127 1HD HIS 127 -9.271 3.219 12.376 985 HD2 HIS 127 2HD HIS 127 -6.286 0.991 10.505 986 HE1 HIS 127 1HE HIS 127 -8.854 4.303 10.124 987 HE2 HIS 127 2HE HIS 127 -7.052 2.949 8.978 988 H GLY 128 H GLY 128 -10.626 2.924 13.327 989 HA2 GLY 128 2HA GLY 128 -11.474 4.578 14.817 990 HA3 GLY 128 1HA GLY 128 -10.491 3.883 16.105 991 H ASP 129 H ASP 129 -9.995 6.233 16.497 992 HA ASP 129 HA ASP 129 -8.404 7.695 14.570 993 HB2 ASP 129 2HB ASP 129 -8.028 9.279 16.401 994 HB3 ASP 129 1HB ASP 129 -9.726 8.806 16.356 995 H GLY 130 H GLY 130 -6.120 8.308 14.938 996 HA2 GLY 130 2HA GLY 130 -3.911 7.881 15.765 997 HA3 GLY 130 1HA GLY 130 -4.537 6.474 16.637 998 H ALA 131 H ALA 131 -5.975 6.067 13.835 999 HA ALA 131 HA ALA 131 -4.302 3.944 12.933 1000 HB1 ALA 131 1HB ALA 131 -6.491 5.492 11.525 1001 HB2 ALA 131 2HB ALA 131 -6.675 3.992 12.430 1002 HB3 ALA 131 3HB ALA 131 -5.770 4.002 10.917 1003 H TRP 132 H TRP 132 -4.757 7.284 11.703 1004 HA TRP 132 HA TRP 132 -3.043 7.030 9.471 1005 HB2 TRP 132 2HB TRP 132 -4.497 9.047 10.027 1006 HB3 TRP 132 1HB TRP 132 -3.223 9.546 11.144 1007 HD1 TRP 132 HD TRP 132 -0.818 10.096 10.082 1008 HE1 TRP 132 1HE TRP 132 -0.147 10.870 7.719 1009 HE3 TRP 132 3HE TRP 132 -5.099 8.932 7.502 1010 HZ2 TRP 132 2HZ TRP 132 -1.258 10.979 5.099 1011 HZ3 TRP 132 3HZ TRP 132 -5.247 9.390 5.076 1012 HH2 TRP 132 HH TRP 132 -3.338 10.413 3.871 1013 H ASN 133 H ASN 133 -2.323 7.391 12.890 1014 HA ASN 133 HA ASN 133 0.405 8.164 12.725 1015 HB2 ASN 133 2HB ASN 133 -1.046 7.733 14.831 1016 HB3 ASN 133 1HB ASN 133 -0.598 6.039 14.633 1017 HD21 ASN 133 1HD2 ASN 133 0.401 6.831 16.922 1018 HD22 ASN 133 2HD2 ASN 133 2.026 7.314 16.839 1019 H ILE 134 H ILE 134 -1.153 4.992 12.463 1020 HA ILE 134 HA ILE 134 1.194 3.428 12.081 1021 HB ILE 134 HB ILE 134 -1.571 3.061 10.904 1022 HG12 ILE 134 2HG1 ILE 134 -0.351 1.923 13.438 1023 HG13 ILE 134 1HG1 ILE 134 -1.495 3.269 13.398 1024 HG21 ILE 134 1HG2 ILE 134 0.647 1.069 11.408 1025 HG22 ILE 134 2HG2 ILE 134 0.203 1.709 9.826 1026 HG23 ILE 134 3HG2 ILE 134 -0.938 0.709 10.727 1027 HD11 ILE 134 1HD1 ILE 134 -2.950 1.490 13.733 1028 HD12 ILE 134 2HD1 ILE 134 -1.960 0.369 12.799 1029 HD13 ILE 134 3HD1 ILE 134 -2.946 1.574 11.971 1030 H HIS 135 H HIS 135 -0.928 5.202 9.881 1031 HA HIS 135 HA HIS 135 0.435 4.573 7.440 1032 HB2 HIS 135 2HB HIS 135 -1.830 5.547 7.450 1033 HB3 HIS 135 1HB HIS 135 -1.198 7.023 8.177 1034 HD1 HIS 135 1HD HIS 135 1.320 5.946 5.946 1035 HD2 HIS 135 2HD HIS 135 -2.320 7.911 5.457 1036 HE1 HIS 135 1HE HIS 135 1.413 7.022 3.661 1037 HE2 HIS 135 2HE HIS 135 -0.804 8.237 3.347 1038 H LYS 136 H LYS 136 0.952 6.970 9.965 1039 HA LYS 136 HA LYS 136 2.668 8.752 8.637 1040 HB2 LYS 136 2HB LYS 136 1.877 8.927 11.041 1041 HB3 LYS 136 1HB LYS 136 3.122 7.756 11.448 1042 HG2 LYS 136 2HG LYS 136 4.833 9.242 10.509 1043 HG3 LYS 136 1HG LYS 136 3.590 10.429 10.135 1044 HD2 LYS 136 2HD LYS 136 2.994 10.485 12.572 1045 HD3 LYS 136 1HD LYS 136 4.378 9.435 12.886 1046 HE2 LYS 136 2HE LYS 136 5.769 11.201 12.850 1047 HE3 LYS 136 1HE LYS 136 5.218 11.634 11.231 1048 HZ1 LYS 136 1HZ LYS 136 3.322 12.259 13.301 1049 HZ2 LYS 136 2HZ LYS 136 3.899 13.225 12.028 1050 HZ3 LYS 136 3HZ LYS 136 4.791 13.091 13.468 1051 H ALA 137 H ALA 137 3.320 5.519 9.938 1052 HA ALA 137 HA ALA 137 6.179 5.630 9.466 1053 HB1 ALA 137 1HB ALA 137 5.855 3.044 9.286 1054 HB2 ALA 137 2HB ALA 137 4.208 3.386 9.801 1055 HB3 ALA 137 3HB ALA 137 5.567 3.827 10.838 1056 H LEU 138 H LEU 138 3.399 4.473 7.573 1057 HA LEU 138 HA LEU 138 4.962 3.692 5.284 1058 HB2 LEU 138 2HB LEU 138 2.064 4.585 5.381 1059 HB3 LEU 138 1HB LEU 138 2.830 3.676 4.083 1060 HG LEU 138 HG LEU 138 2.466 2.743 6.943 1061 HD11 LEU 138 1HD1 LEU 138 0.608 1.658 6.238 1062 HD12 LEU 138 2HD1 LEU 138 1.384 1.137 4.741 1063 HD13 LEU 138 3HD1 LEU 138 0.656 2.740 4.846 1064 HD21 LEU 138 1HD2 LEU 138 4.453 1.700 6.304 1065 HD22 LEU 138 2HD2 LEU 138 4.010 1.680 4.597 1066 HD23 LEU 138 3HD2 LEU 138 3.260 0.541 5.715 1067 H ASP 139 H ASP 139 3.748 6.704 6.519 1068 HA ASP 139 HA ASP 139 4.089 8.911 5.821 1069 HB2 ASP 139 2HB ASP 139 6.365 7.383 4.787 1070 HB3 ASP 139 1HB ASP 139 6.040 8.853 3.876 1071 H GLY 140 H GLY 140 2.178 9.373 4.745 1072 HA2 GLY 140 2HA GLY 140 1.955 8.589 1.899 1073 HA3 GLY 140 1HA GLY 140 0.656 9.284 2.871 1074 HA PRO 141 HA PRO 141 3.447 12.603 0.650 1075 HB2 PRO 141 2HB PRO 141 2.259 12.760 -1.835 1076 HB3 PRO 141 1HB PRO 141 3.735 11.840 -1.490 1077 HG2 PRO 141 2HG PRO 141 0.939 10.891 -1.791 1078 HG3 PRO 141 1HG PRO 141 2.455 10.121 -2.284 1079 HD2 PRO 141 2HD PRO 141 1.061 9.359 -0.058 1080 HD3 PRO 141 1HD PRO 141 2.826 9.201 -0.196 1081 H SER 142 H SER 142 2.724 14.743 0.732 1082 HA SER 142 HA SER 142 -0.201 15.090 1.178 1083 HB2 SER 142 2HB SER 142 2.077 16.101 2.514 1084 HB3 SER 142 1HB SER 142 1.346 17.473 1.689 1085 HG SER 142 HG SER 142 -0.126 15.603 3.232 1086 HA PRO 143 HA PRO 143 0.938 18.353 -2.162 1087 HB2 PRO 143 2HB PRO 143 3.483 17.699 -3.333 1088 HB3 PRO 143 1HB PRO 143 3.054 19.135 -2.388 1089 HG2 PRO 143 2HG PRO 143 4.791 17.141 -1.585 1090 HG3 PRO 143 1HG PRO 143 4.003 18.316 -0.520 1091 HD2 PRO 143 2HD PRO 143 3.320 15.448 -0.995 1092 HD3 PRO 143 1HD PRO 143 3.118 16.434 0.471 1093 H GLY 144 H GLY 144 2.932 15.616 -3.319 1094 HA2 GLY 144 2HA GLY 144 1.257 15.410 -5.728 1095 HA3 GLY 144 1HA GLY 144 2.723 14.482 -5.398 1096 H GLU 145 H GLU 145 0.906 12.879 -6.313 1097 HA GLU 145 HA GLU 145 -0.623 11.775 -4.011 1098 HB2 GLU 145 2HB GLU 145 -0.894 11.231 -6.972 1099 HB3 GLU 145 1HB GLU 145 -1.909 10.533 -5.712 1100 HG2 GLU 145 2HG GLU 145 -1.627 13.501 -6.275 1101 HG3 GLU 145 1HG GLU 145 -2.987 12.498 -6.784 1102 H THR 146 H THR 146 -0.589 9.373 -3.797 1103 HA THR 146 HA THR 146 2.043 8.326 -3.724 1104 HB THR 146 HB THR 146 -0.604 6.874 -3.850 1105 HG1 THR 146 1HG THR 146 -0.587 7.046 -1.717 1106 HG21 THR 146 1HG2 THR 146 2.213 5.936 -3.410 1107 HG22 THR 146 2HG2 THR 146 0.943 5.218 -4.405 1108 HG23 THR 146 3HG2 THR 146 0.868 5.089 -2.646 1109 H LEU 147 H LEU 147 -0.482 8.084 -6.171 1110 HA LEU 147 HA LEU 147 0.905 6.242 -7.870 1111 HB2 LEU 147 2HB LEU 147 -1.214 8.303 -8.536 1112 HB3 LEU 147 1HB LEU 147 -0.708 6.980 -9.580 1113 HG LEU 147 HG LEU 147 -1.206 5.492 -7.465 1114 HD11 LEU 147 1HD1 LEU 147 -3.541 6.882 -6.735 1115 HD12 LEU 147 2HD1 LEU 147 -2.251 8.077 -6.647 1116 HD13 LEU 147 3HD1 LEU 147 -2.127 6.581 -5.729 1117 HD21 LEU 147 1HD2 LEU 147 -3.705 5.499 -8.279 1118 HD22 LEU 147 2HD2 LEU 147 -2.428 5.003 -9.391 1119 HD23 LEU 147 3HD2 LEU 147 -3.105 6.625 -9.494 1120 H ALA 148 H ALA 148 1.088 9.698 -7.394 1121 HA ALA 148 HA ALA 148 2.396 10.317 -9.896 1122 HB1 ALA 148 1HB ALA 148 3.092 12.195 -7.842 1123 HB2 ALA 148 2HB ALA 148 1.391 11.756 -7.670 1124 HB3 ALA 148 3HB ALA 148 1.983 12.407 -9.198 1125 H ARG 149 H ARG 149 3.691 9.993 -6.567 1126 HA ARG 149 HA ARG 149 6.395 10.479 -7.336 1127 HB2 ARG 149 2HB ARG 149 6.807 9.094 -5.120 1128 HB3 ARG 149 1HB ARG 149 6.101 10.707 -5.056 1129 HG2 ARG 149 2HG ARG 149 4.014 9.926 -4.509 1130 HG3 ARG 149 1HG ARG 149 4.213 8.447 -5.443 1131 HD2 ARG 149 2HD ARG 149 4.185 7.850 -3.096 1132 HD3 ARG 149 1HD ARG 149 5.828 7.635 -3.693 1133 HE ARG 149 HE ARG 149 5.879 10.202 -2.718 1134 HH11 ARG 149 1HH1 ARG 149 6.326 10.717 -0.563 1135 HH12 ARG 149 2HH1 ARG 149 5.995 9.555 0.678 1136 HH21 ARG 149 1HH2 ARG 149 4.788 7.160 -1.519 1137 HH22 ARG 149 2HH2 ARG 149 5.125 7.541 0.137 1138 H PHE 150 H PHE 150 4.751 7.349 -6.716 1139 HA PHE 150 HA PHE 150 7.060 5.785 -7.385 1140 HB2 PHE 150 2HB PHE 150 5.770 4.027 -6.791 1141 HB3 PHE 150 1HB PHE 150 4.587 5.244 -6.307 1142 HD1 PHE 150 1HD PHE 150 3.094 6.176 -8.244 1143 HD2 PHE 150 2HD PHE 150 5.128 2.408 -8.350 1144 HE1 PHE 150 1HE PHE 150 1.495 5.369 -9.960 1145 HE2 PHE 150 2HE PHE 150 3.541 1.594 -10.074 1146 HZ PHE 150 HZ PHE 150 1.726 3.076 -10.878 1147 H ALA 151 H ALA 151 4.352 7.027 -9.296 1148 HA ALA 151 HA ALA 151 4.912 5.541 -11.687 1149 HB1 ALA 151 1HB ALA 151 2.794 6.678 -11.461 1150 HB2 ALA 151 2HB ALA 151 3.657 7.419 -12.810 1151 HB3 ALA 151 3HB ALA 151 3.598 8.234 -11.250 1152 H ASN 152 H ASN 152 6.073 8.628 -10.435 1153 HA ASN 152 HA ASN 152 7.444 9.563 -12.726 1154 HB2 ASN 152 2HB ASN 152 8.117 9.878 -9.804 1155 HB3 ASN 152 1HB ASN 152 8.857 10.809 -11.099 1156 HD21 ASN 152 1HD2 ASN 152 7.273 11.995 -8.980 1157 HD22 ASN 152 2HD2 ASN 152 5.881 12.662 -9.693 1158 H VAL 153 H VAL 153 8.651 7.531 -10.064 1159 HA VAL 153 HA VAL 153 11.298 7.296 -11.160 1160 HB VAL 153 HB VAL 153 11.453 5.340 -9.563 1161 HG11 VAL 153 1HG1 VAL 153 12.089 7.579 -8.844 1162 HG12 VAL 153 2HG1 VAL 153 11.180 6.811 -7.542 1163 HG13 VAL 153 3HG1 VAL 153 10.398 8.008 -8.576 1164 HG21 VAL 153 1HG2 VAL 153 9.571 4.990 -8.046 1165 HG22 VAL 153 2HG2 VAL 153 9.043 4.740 -9.708 1166 HG23 VAL 153 3HG2 VAL 153 8.653 6.242 -8.875 1167 H ILE 154 H ILE 154 8.367 5.346 -11.508 1168 HA ILE 154 HA ILE 154 9.605 3.146 -12.838 1169 HB ILE 154 HB ILE 154 6.788 4.226 -12.966 1170 HG12 ILE 154 2HG1 ILE 154 7.999 1.859 -11.533 1171 HG13 ILE 154 1HG1 ILE 154 7.588 3.387 -10.777 1172 HG21 ILE 154 1HG2 ILE 154 6.291 1.898 -13.854 1173 HG22 ILE 154 2HG2 ILE 154 8.024 1.725 -14.116 1174 HG23 ILE 154 3HG2 ILE 154 7.123 2.973 -14.974 1175 HD11 ILE 154 1HD1 ILE 154 5.629 1.555 -12.177 1176 HD12 ILE 154 2HD1 ILE 154 5.232 3.093 -11.411 1177 HD13 ILE 154 3HD1 ILE 154 5.793 1.736 -10.431 1178 HBB 96F 201 HBB SUM 155 -2.564 11.839 -1.838 1179 HBC 96F 201 HBC SUM 155 -0.797 12.023 -1.953 1180 HBA 96F 201 HBA SUM 155 -1.600 12.126 -0.369 1181 HA2 96F 201 2HA SUM 155 -1.007 9.927 -0.182 1182 HA1 96F 201 1HA SUM 155 -0.785 9.741 -1.936 1183 HAY 96F 201 HAY SUM 155 -3.796 8.987 0.601 1184 HAZ 96F 201 HAZ SUM 155 -4.648 10.179 -0.413 1185 HA0 96F 201 0HA SUM 155 -3.184 10.655 0.478 1186 HBE 96F 201 HBE SUM 155 -2.769 10.149 -3.131 1187 H1 96F 201 HAV SUM 155 -2.637 7.693 -3.500 1188 HAS 96F 201 HAS SUM 155 -5.397 5.635 -3.352 1189 HAT 96F 201 HAT SUM 155 -5.849 5.670 -5.075 1190 HAU 96F 201 HAU SUM 155 -4.773 6.922 -4.413 1191 HAK 96F 201 HAK SUM 155 -4.717 4.479 -6.581 1192 HAF 96F 201 HAF SUM 155 -2.164 2.077 -9.880 1193 HAE 96F 201 HAE SUM 155 -0.065 0.964 -10.581 1194 HAD 96F 201 HAD SUM 155 1.880 0.898 -9.035 1195 HAR 96F 201 HAR SUM 155 2.459 2.755 -6.749 1196 HAQ 96F 201 HAQ SUM 155 -1.095 2.848 -3.133 Start of MODEL 20 1 H MET 1 1HT MET 1 -4.049 12.180 5.831 2 HA MET 1 HA MET 1 -2.090 13.680 6.466 3 HB2 MET 1 2HB MET 1 -3.498 15.376 4.720 4 HB3 MET 1 1HB MET 1 -3.814 16.009 6.337 5 HG2 MET 1 2HG MET 1 -1.319 15.859 6.771 6 HG3 MET 1 1HG MET 1 -1.117 15.507 5.055 7 HE1 MET 1 1HE MET 1 0.016 17.829 6.948 8 HE2 MET 1 2HE MET 1 -1.514 18.160 7.758 9 HE3 MET 1 3HE MET 1 -0.752 19.415 6.785 10 HA PRO 2 HA PRO 2 -5.863 14.805 9.402 11 HB2 PRO 2 2HB PRO 2 -7.885 12.932 8.326 12 HB3 PRO 2 1HB PRO 2 -8.072 14.617 8.847 13 HG2 PRO 2 2HG PRO 2 -8.137 13.899 6.264 14 HG3 PRO 2 1HG PRO 2 -7.488 15.456 6.805 15 HD2 PRO 2 2HD PRO 2 -6.019 13.018 5.889 16 HD3 PRO 2 1HD PRO 2 -5.599 14.735 5.682 17 H GLU 3 H GLU 3 -6.176 13.642 11.337 18 HA GLU 3 HA GLU 3 -4.715 11.214 11.677 19 HB2 GLU 3 2HB GLU 3 -6.835 12.500 13.423 20 HB3 GLU 3 1HB GLU 3 -5.793 11.173 13.928 21 HG2 GLU 3 2HG GLU 3 -3.802 12.587 13.469 22 HG3 GLU 3 1HG GLU 3 -4.874 13.922 13.044 23 H GLU 4 H GLU 4 -8.060 11.876 10.887 24 HA GLU 4 HA GLU 4 -8.791 9.025 11.260 25 HB2 GLU 4 2HB GLU 4 -10.321 10.855 12.034 26 HB3 GLU 4 1HB GLU 4 -10.513 11.329 10.348 27 HG2 GLU 4 2HG GLU 4 -11.332 9.039 9.822 28 HG3 GLU 4 1HG GLU 4 -11.226 8.635 11.538 29 H ILE 5 H ILE 5 -9.314 7.681 9.530 30 HA ILE 5 HA ILE 5 -8.807 8.805 6.806 31 HB ILE 5 HB ILE 5 -8.501 5.911 7.096 32 HG12 ILE 5 2HG1 ILE 5 -7.673 6.623 9.316 33 HG13 ILE 5 1HG1 ILE 5 -6.386 5.992 8.300 34 HG21 ILE 5 1HG2 ILE 5 -6.409 6.422 5.879 35 HG22 ILE 5 2HG2 ILE 5 -6.758 8.139 6.057 36 HG23 ILE 5 3HG2 ILE 5 -7.832 7.116 5.102 37 HD11 ILE 5 1HD1 ILE 5 -5.292 7.935 8.384 38 HD12 ILE 5 2HD1 ILE 5 -6.480 8.503 9.557 39 HD13 ILE 5 3HD1 ILE 5 -6.721 8.812 7.839 40 HA PRO 6 HA PRO 6 -13.104 7.175 6.736 41 HB2 PRO 6 2HB PRO 6 -14.112 9.095 5.060 42 HB3 PRO 6 1HB PRO 6 -14.006 9.287 6.820 43 HG2 PRO 6 2HG PRO 6 -12.352 10.474 4.691 44 HG3 PRO 6 1HG PRO 6 -12.732 11.087 6.306 45 HD2 PRO 6 2HD PRO 6 -10.317 9.872 5.528 46 HD3 PRO 6 1HD PRO 6 -10.841 10.173 7.198 47 H ASP 7 H ASP 7 -14.431 6.428 4.804 48 HA ASP 7 HA ASP 7 -12.781 5.072 2.913 49 HB2 ASP 7 2HB ASP 7 -14.974 4.596 1.764 50 HB3 ASP 7 1HB ASP 7 -14.970 4.193 3.480 51 H VAL 8 H VAL 8 -11.877 5.833 1.082 52 HA VAL 8 HA VAL 8 -13.212 8.040 -0.386 53 HB VAL 8 HB VAL 8 -11.501 9.123 1.019 54 HG11 VAL 8 1HG1 VAL 8 -9.639 7.173 -0.364 55 HG12 VAL 8 2HG1 VAL 8 -9.920 7.349 1.365 56 HG13 VAL 8 3HG1 VAL 8 -9.080 8.616 0.478 57 HG21 VAL 8 1HG2 VAL 8 -11.095 10.539 -0.687 58 HG22 VAL 8 2HG2 VAL 8 -11.818 9.339 -1.758 59 HG23 VAL 8 3HG2 VAL 8 -10.073 9.355 -1.502 60 H ARG 9 H ARG 9 -12.982 7.875 -2.629 61 HA ARG 9 HA ARG 9 -11.350 5.553 -3.596 62 HB2 ARG 9 2HB ARG 9 -13.820 5.186 -3.746 63 HB3 ARG 9 1HB ARG 9 -13.932 6.609 -4.786 64 HG2 ARG 9 2HG ARG 9 -12.352 5.539 -6.381 65 HG3 ARG 9 1HG ARG 9 -12.326 4.099 -5.361 66 HD2 ARG 9 2HD ARG 9 -14.800 3.904 -5.643 67 HD3 ARG 9 1HD ARG 9 -14.751 5.271 -6.755 68 HE ARG 9 HE ARG 9 -12.972 3.037 -7.457 69 HH11 ARG 9 1HH1 ARG 9 -13.449 2.056 -9.435 70 HH12 ARG 9 2HH1 ARG 9 -14.949 2.412 -10.225 71 HH21 ARG 9 1HH2 ARG 9 -16.035 4.593 -7.758 72 HH22 ARG 9 2HH2 ARG 9 -16.413 3.847 -9.274 73 H LYS 10 H LYS 10 -9.737 6.158 -4.952 74 HA LYS 10 HA LYS 10 -10.140 8.597 -6.628 75 HB2 LYS 10 2HB LYS 10 -7.660 7.916 -5.017 76 HB3 LYS 10 1HB LYS 10 -7.779 9.238 -6.183 77 HG2 LYS 10 2HG LYS 10 -9.672 10.183 -4.853 78 HG3 LYS 10 1HG LYS 10 -9.413 8.919 -3.649 79 HD2 LYS 10 2HD LYS 10 -7.063 9.716 -3.374 80 HD3 LYS 10 1HD LYS 10 -7.413 11.038 -4.489 81 HE2 LYS 10 2HE LYS 10 -8.032 12.194 -2.639 82 HE3 LYS 10 1HE LYS 10 -9.501 11.219 -2.700 83 HZ1 LYS 10 1HZ LYS 10 -7.072 10.784 -1.074 84 HZ2 LYS 10 2HZ LYS 10 -8.170 9.524 -1.379 85 HZ3 LYS 10 3HZ LYS 10 -8.681 10.919 -0.556 86 H SER 11 H SER 11 -9.107 8.511 -8.659 87 HA SER 11 HA SER 11 -7.626 6.004 -9.304 88 HB2 SER 11 2HB SER 11 -8.889 5.760 -11.383 89 HB3 SER 11 1HB SER 11 -10.003 5.759 -10.017 90 HG SER 11 HG SER 11 -9.548 7.693 -11.985 91 H VAL 12 H VAL 12 -6.083 6.263 -11.002 92 HA VAL 12 HA VAL 12 -5.848 8.857 -12.352 93 HB VAL 12 HB VAL 12 -4.383 8.289 -9.911 94 HG11 VAL 12 1HG1 VAL 12 -2.605 7.454 -11.365 95 HG12 VAL 12 2HG1 VAL 12 -2.156 9.041 -10.747 96 HG13 VAL 12 3HG1 VAL 12 -2.745 8.878 -12.398 97 HG21 VAL 12 1HG2 VAL 12 -3.813 10.696 -10.173 98 HG22 VAL 12 2HG2 VAL 12 -5.536 10.390 -10.394 99 HG23 VAL 12 3HG2 VAL 12 -4.502 10.660 -11.798 100 H VAL 13 H VAL 13 -4.222 8.777 -14.074 101 HA VAL 13 HA VAL 13 -3.630 5.978 -14.885 102 HB VAL 13 HB VAL 13 -3.628 8.510 -16.553 103 HG11 VAL 13 1HG1 VAL 13 -2.719 5.785 -17.010 104 HG12 VAL 13 2HG1 VAL 13 -2.521 7.211 -18.028 105 HG13 VAL 13 3HG1 VAL 13 -3.986 6.237 -18.151 106 HG21 VAL 13 1HG2 VAL 13 -5.653 6.327 -16.849 107 HG22 VAL 13 2HG2 VAL 13 -5.813 8.055 -17.169 108 HG23 VAL 13 3HG2 VAL 13 -5.849 7.458 -15.509 109 H VAL 14 H VAL 14 -1.527 5.312 -15.054 110 HA VAL 14 HA VAL 14 0.607 7.398 -14.894 111 HB VAL 14 HB VAL 14 1.880 5.850 -13.413 112 HG11 VAL 14 1HG1 VAL 14 -0.788 6.982 -12.643 113 HG12 VAL 14 2HG1 VAL 14 0.822 7.524 -12.180 114 HG13 VAL 14 3HG1 VAL 14 0.135 6.073 -11.451 115 HG21 VAL 14 1HG2 VAL 14 0.371 4.080 -12.279 116 HG22 VAL 14 2HG2 VAL 14 0.982 3.714 -13.892 117 HG23 VAL 14 3HG2 VAL 14 -0.678 4.272 -13.683 118 H ALA 15 H ALA 15 2.754 6.555 -15.653 119 HA ALA 15 HA ALA 15 2.383 4.992 -18.105 120 HB1 ALA 15 1HB ALA 15 3.982 7.042 -17.642 121 HB2 ALA 15 2HB ALA 15 4.500 5.746 -18.720 122 HB3 ALA 15 3HB ALA 15 5.075 5.790 -17.050 123 H ALA 16 H ALA 16 1.945 2.825 -17.423 124 HA ALA 16 HA ALA 16 4.245 1.216 -16.851 125 HB1 ALA 16 1HB ALA 16 4.387 1.632 -14.624 126 HB2 ALA 16 2HB ALA 16 3.007 0.539 -14.510 127 HB3 ALA 16 3HB ALA 16 2.750 2.283 -14.545 128 H SER 17 H SER 17 3.607 -1.090 -16.443 129 HA SER 17 HA SER 17 0.984 -1.645 -17.730 130 HB2 SER 17 2HB SER 17 3.371 -3.470 -17.293 131 HB3 SER 17 1HB SER 17 1.905 -3.889 -18.175 132 HG SER 17 HG SER 17 3.788 -3.103 -19.427 133 H VAL 18 H VAL 18 -0.488 -3.092 -16.649 134 HA VAL 18 HA VAL 18 -0.623 -2.890 -13.852 135 HB VAL 18 HB VAL 18 -2.256 -4.751 -13.974 136 HG11 VAL 18 1HG1 VAL 18 -2.612 -2.984 -16.383 137 HG12 VAL 18 2HG1 VAL 18 -2.672 -2.316 -14.757 138 HG13 VAL 18 3HG1 VAL 18 -3.837 -3.546 -15.252 139 HG21 VAL 18 1HG2 VAL 18 -0.920 -5.086 -16.633 140 HG22 VAL 18 2HG2 VAL 18 -2.646 -5.435 -16.520 141 HG23 VAL 18 3HG2 VAL 18 -1.498 -6.317 -15.511 142 H GLU 19 H GLU 19 0.845 -5.441 -15.839 143 HA GLU 19 HA GLU 19 1.506 -7.194 -13.691 144 HB2 GLU 19 2HB GLU 19 2.818 -6.697 -16.361 145 HB3 GLU 19 1HB GLU 19 3.327 -7.972 -15.262 146 HG2 GLU 19 2HG GLU 19 0.521 -7.655 -16.362 147 HG3 GLU 19 1HG GLU 19 1.719 -8.792 -16.970 148 H HIS 20 H HIS 20 3.139 -4.410 -15.118 149 HA HIS 20 HA HIS 20 5.544 -4.602 -13.563 150 HB2 HIS 20 2HB HIS 20 5.530 -3.168 -15.512 151 HB3 HIS 20 1HB HIS 20 4.200 -2.211 -14.849 152 HD1 HIS 20 1HD HIS 20 7.864 -2.547 -14.789 153 HD2 HIS 20 2HD HIS 20 4.961 -0.741 -12.388 154 HE1 HIS 20 1HE HIS 20 9.090 -0.994 -13.215 155 HE2 HIS 20 2HE HIS 20 7.339 0.125 -11.774 156 H CYS 21 H CYS 21 2.461 -2.933 -13.057 157 HA CYS 21 HA CYS 21 3.075 -1.406 -10.804 158 HB2 CYS 21 2HB CYS 21 0.571 -2.974 -11.470 159 HB3 CYS 21 1HB CYS 21 0.672 -1.847 -10.121 160 HG CYS 21 HG CYS 21 0.909 0.110 -11.746 161 H PHE 22 H PHE 22 2.257 -4.855 -10.986 162 HA PHE 22 HA PHE 22 2.609 -5.119 -8.098 163 HB2 PHE 22 2HB PHE 22 1.570 -6.807 -10.238 164 HB3 PHE 22 1HB PHE 22 2.568 -7.698 -9.078 165 HD1 PHE 22 1HD PHE 22 1.854 -8.051 -6.832 166 HD2 PHE 22 2HD PHE 22 -0.295 -5.361 -9.395 167 HE1 PHE 22 1HE PHE 22 0.084 -7.835 -5.110 168 HE2 PHE 22 2HE PHE 22 -2.072 -5.148 -7.688 169 HZ PHE 22 HZ PHE 22 -1.880 -6.376 -5.546 170 H GLU 23 H GLU 23 4.576 -5.460 -10.942 171 HA GLU 23 HA GLU 23 6.599 -7.152 -9.856 172 HB2 GLU 23 2HB GLU 23 6.555 -6.472 -12.240 173 HB3 GLU 23 1HB GLU 23 6.914 -4.816 -11.756 174 HG2 GLU 23 2HG GLU 23 9.027 -5.587 -10.717 175 HG3 GLU 23 1HG GLU 23 8.683 -7.228 -11.273 176 H VAL 24 H VAL 24 6.035 -3.667 -9.694 177 HA VAL 24 HA VAL 24 8.379 -3.020 -8.186 178 HB VAL 24 HB VAL 24 5.673 -1.654 -8.316 179 HG11 VAL 24 1HG1 VAL 24 8.366 -0.738 -7.290 180 HG12 VAL 24 2HG1 VAL 24 6.875 -0.904 -6.365 181 HG13 VAL 24 3HG1 VAL 24 7.013 0.347 -7.600 182 HG21 VAL 24 1HG2 VAL 24 6.308 -0.891 -10.332 183 HG22 VAL 24 2HG2 VAL 24 7.689 -1.987 -10.269 184 HG23 VAL 24 3HG2 VAL 24 7.848 -0.331 -9.681 185 H PHE 25 H PHE 25 5.066 -3.912 -7.291 186 HA PHE 25 HA PHE 25 5.219 -3.455 -4.507 187 HB2 PHE 25 2HB PHE 25 3.685 -5.473 -6.145 188 HB3 PHE 25 1HB PHE 25 3.493 -5.341 -4.406 189 HD1 PHE 25 1HD PHE 25 1.073 -4.865 -4.940 190 HD2 PHE 25 2HD PHE 25 4.230 -2.179 -6.105 191 HE1 PHE 25 1HE PHE 25 -0.570 -3.044 -5.238 192 HE2 PHE 25 2HE PHE 25 2.586 -0.379 -6.396 193 HZ PHE 25 HZ PHE 25 0.187 -0.799 -5.960 194 H THR 26 H THR 26 6.022 -6.407 -6.347 195 HA THR 26 HA THR 26 7.089 -7.588 -3.857 196 HB THR 26 HB THR 26 7.198 -9.663 -5.105 197 HG1 THR 26 1HG THR 26 7.620 -8.218 -7.123 198 HG21 THR 26 1HG2 THR 26 4.664 -9.277 -6.168 199 HG22 THR 26 2HG2 THR 26 4.774 -8.055 -4.901 200 HG23 THR 26 3HG2 THR 26 5.026 -9.758 -4.510 201 H SER 27 H SER 27 8.323 -5.678 -6.339 202 HA SER 27 HA SER 27 10.923 -7.079 -6.394 203 HB2 SER 27 2HB SER 27 9.928 -4.635 -7.845 204 HB3 SER 27 1HB SER 27 11.550 -5.275 -8.006 205 HG SER 27 HG SER 27 10.739 -6.613 -9.393 206 H ARG 28 H ARG 28 9.680 -3.830 -5.440 207 HA ARG 28 HA ARG 28 11.557 -3.688 -3.250 208 HB2 ARG 28 2HB ARG 28 12.820 -1.687 -4.332 209 HB3 ARG 28 1HB ARG 28 13.311 -3.322 -4.745 210 HG2 ARG 28 2HG ARG 28 13.184 -2.121 -6.812 211 HG3 ARG 28 1HG ARG 28 11.760 -3.144 -6.773 212 HD2 ARG 28 2HD ARG 28 10.351 -1.289 -6.164 213 HD3 ARG 28 1HD ARG 28 11.749 -0.252 -5.862 214 HE ARG 28 HE ARG 28 10.581 -0.833 -8.465 215 HH11 ARG 28 1HH1 ARG 28 11.589 0.166 -10.225 216 HH12 ARG 28 2HH1 ARG 28 13.165 0.854 -10.027 217 HH21 ARG 28 1HH2 ARG 28 13.417 -0.021 -6.681 218 HH22 ARG 28 2HH2 ARG 28 14.200 0.748 -8.021 219 HA PRO 29 HA PRO 29 7.897 -0.675 -3.567 220 HB2 PRO 29 2HB PRO 29 6.946 -1.390 -1.039 221 HB3 PRO 29 1HB PRO 29 6.286 -1.923 -2.596 222 HG2 PRO 29 2HG PRO 29 8.092 -3.330 -0.729 223 HG3 PRO 29 1HG PRO 29 6.861 -3.967 -1.818 224 HD2 PRO 29 2HD PRO 29 9.517 -4.176 -2.360 225 HD3 PRO 29 1HD PRO 29 8.293 -4.030 -3.639 226 H ALA 30 H ALA 30 9.858 -1.468 -0.695 227 HA ALA 30 HA ALA 30 9.541 1.181 0.435 228 HB1 ALA 30 1HB ALA 30 10.631 0.348 2.243 229 HB2 ALA 30 2HB ALA 30 11.890 -0.408 1.267 230 HB3 ALA 30 3HB ALA 30 10.327 -1.202 1.464 231 H ASP 31 H ASP 31 12.001 -0.320 -1.625 232 HA ASP 31 HA ASP 31 14.068 1.569 -1.315 233 HB2 ASP 31 2HB ASP 31 14.024 -0.571 -2.762 234 HB3 ASP 31 1HB ASP 31 13.341 0.465 -4.019 235 H TRP 32 H TRP 32 11.058 1.858 -3.167 236 HA TRP 32 HA TRP 32 11.977 4.495 -4.172 237 HB2 TRP 32 2HB TRP 32 10.611 4.114 -5.936 238 HB3 TRP 32 1HB TRP 32 10.292 2.509 -5.277 239 HD1 TRP 32 HD TRP 32 8.998 6.117 -4.791 240 HE1 TRP 32 1HE TRP 32 6.487 6.016 -4.248 241 HE3 TRP 32 3HE TRP 32 8.307 1.082 -4.861 242 HZ2 TRP 32 2HZ TRP 32 4.459 4.046 -3.903 243 HZ3 TRP 32 3HZ TRP 32 6.047 0.114 -4.447 244 HH2 TRP 32 HH TRP 32 4.128 1.597 -3.971 245 H TRP 33 H TRP 33 11.767 6.076 -2.674 246 HA TRP 33 HA TRP 33 9.303 6.105 -0.981 247 HB2 TRP 33 2HB TRP 33 11.263 7.946 -0.019 248 HB3 TRP 33 1HB TRP 33 10.687 6.471 0.759 249 HD1 TRP 33 HD TRP 33 12.290 4.470 0.857 250 HE1 TRP 33 1HE TRP 33 14.651 3.989 -0.062 251 HE3 TRP 33 3HE TRP 33 12.902 8.531 -2.178 252 HZ2 TRP 33 2HZ TRP 33 16.547 5.170 -1.848 253 HZ3 TRP 33 3HZ TRP 33 14.992 8.828 -3.476 254 HH2 TRP 33 HH TRP 33 16.814 7.154 -3.314 255 HA PRO 34 HA PRO 34 7.618 9.776 -2.740 256 HB2 PRO 34 2HB PRO 34 8.256 11.129 -0.148 257 HB3 PRO 34 1HB PRO 34 6.740 11.115 -1.068 258 HG2 PRO 34 2HG PRO 34 7.136 9.596 1.123 259 HG3 PRO 34 1HG PRO 34 6.083 9.111 -0.214 260 HD2 PRO 34 2HD PRO 34 8.672 7.976 0.598 261 HD3 PRO 34 1HD PRO 34 7.436 7.297 -0.484 262 HA PRO 35 HA PRO 35 11.719 11.683 -3.517 263 HB2 PRO 35 2HB PRO 35 11.467 11.886 -6.221 264 HB3 PRO 35 1HB PRO 35 11.973 10.397 -5.406 265 HG2 PRO 35 2HG PRO 35 9.410 11.062 -6.681 266 HG3 PRO 35 1HG PRO 35 10.165 9.487 -6.403 267 HD2 PRO 35 2HD PRO 35 8.068 10.667 -4.881 268 HD3 PRO 35 1HD PRO 35 8.949 9.174 -4.507 269 H SER 36 H SER 36 8.603 12.859 -3.686 270 HA SER 36 HA SER 36 8.782 15.225 -5.217 271 HB2 SER 36 2HB SER 36 7.333 14.895 -2.574 272 HB3 SER 36 1HB SER 36 6.980 16.090 -3.819 273 HG SER 36 HG SER 36 5.589 14.396 -4.125 274 H HIS 37 H HIS 37 9.904 14.553 -1.921 275 HA HIS 37 HA HIS 37 12.063 16.276 -1.875 276 HB2 HIS 37 2HB HIS 37 9.518 17.754 -1.698 277 HB3 HIS 37 1HB HIS 37 10.664 18.139 -0.414 278 HD1 HIS 37 1HD HIS 37 9.816 19.254 -3.659 279 HD2 HIS 37 2HD HIS 37 13.455 18.484 -1.769 280 HE1 HIS 37 1HE HIS 37 11.586 20.508 -4.971 281 HE2 HIS 37 2HE HIS 37 13.804 20.046 -3.829 282 H VAL 38 H VAL 38 9.945 14.234 -0.417 283 HA VAL 38 HA VAL 38 11.302 14.590 2.222 284 HB VAL 38 HB VAL 38 8.964 15.462 2.321 285 HG11 VAL 38 1HG1 VAL 38 7.102 14.096 1.870 286 HG12 VAL 38 2HG1 VAL 38 8.052 12.613 1.962 287 HG13 VAL 38 3HG1 VAL 38 8.219 13.684 0.570 288 HG21 VAL 38 1HG2 VAL 38 10.224 14.161 4.209 289 HG22 VAL 38 2HG2 VAL 38 9.067 12.876 3.861 290 HG23 VAL 38 3HG2 VAL 38 8.495 14.458 4.391 291 H LEU 39 H LEU 39 11.960 12.691 3.180 292 HA LEU 39 HA LEU 39 11.407 10.173 1.662 293 HB2 LEU 39 2HB LEU 39 13.731 10.786 3.515 294 HB3 LEU 39 1HB LEU 39 13.538 9.349 2.511 295 HG LEU 39 HG LEU 39 13.855 12.199 1.525 296 HD11 LEU 39 1HD1 LEU 39 15.632 9.755 1.243 297 HD12 LEU 39 2HD1 LEU 39 15.934 11.109 2.333 298 HD13 LEU 39 3HD1 LEU 39 15.963 11.357 0.586 299 HD21 LEU 39 1HD2 LEU 39 13.121 9.617 0.169 300 HD22 LEU 39 2HD2 LEU 39 14.051 10.828 -0.712 301 HD23 LEU 39 3HD2 LEU 39 12.455 11.231 -0.081 302 H VAL 40 H VAL 40 10.907 8.266 2.923 303 HA VAL 40 HA VAL 40 9.153 8.556 5.061 304 HB VAL 40 HB VAL 40 9.409 6.390 3.991 305 HG11 VAL 40 1HG1 VAL 40 11.482 5.027 4.473 306 HG12 VAL 40 2HG1 VAL 40 12.225 6.501 5.088 307 HG13 VAL 40 3HG1 VAL 40 11.731 6.404 3.401 308 HG21 VAL 40 1HG2 VAL 40 9.519 4.933 5.941 309 HG22 VAL 40 2HG2 VAL 40 8.696 6.428 6.385 310 HG23 VAL 40 3HG2 VAL 40 10.373 6.171 6.855 311 H LYS 41 H LYS 41 9.369 8.966 7.251 312 HA LYS 41 HA LYS 41 11.792 10.097 8.244 313 HB2 LYS 41 2HB LYS 41 9.508 10.520 9.192 314 HB3 LYS 41 1HB LYS 41 9.547 8.897 9.876 315 HG2 LYS 41 2HG LYS 41 11.613 9.486 11.120 316 HG3 LYS 41 1HG LYS 41 11.510 11.125 10.477 317 HD2 LYS 41 2HD LYS 41 9.234 11.325 11.512 318 HD3 LYS 41 1HD LYS 41 9.488 9.752 12.268 319 HE2 LYS 41 2HE LYS 41 11.809 11.297 12.799 320 HE3 LYS 41 1HE LYS 41 10.420 12.329 13.142 321 HZ1 LYS 41 1HZ LYS 41 9.728 9.898 14.169 322 HZ2 LYS 41 2HZ LYS 41 10.275 11.240 15.056 323 HZ3 LYS 41 3HZ LYS 41 11.372 10.040 14.561 324 H LYS 42 H LYS 42 10.420 6.856 8.480 325 HA LYS 42 HA LYS 42 12.686 5.904 10.110 326 HB2 LYS 42 2HB LYS 42 10.279 5.107 10.380 327 HB3 LYS 42 1HB LYS 42 10.475 4.274 8.839 328 HG2 LYS 42 2HG LYS 42 12.337 2.974 9.735 329 HG3 LYS 42 1HG LYS 42 12.251 3.859 11.259 330 HD2 LYS 42 2HD LYS 42 11.078 1.772 11.573 331 HD3 LYS 42 1HD LYS 42 9.872 3.055 11.499 332 HE2 LYS 42 2HE LYS 42 9.177 2.463 9.340 333 HE3 LYS 42 1HE LYS 42 10.677 1.606 8.986 334 HZ1 LYS 42 1HZ LYS 42 9.651 0.319 11.165 335 HZ2 LYS 42 2HZ LYS 42 9.590 -0.227 9.556 336 HZ3 LYS 42 3HZ LYS 42 8.286 0.641 10.213 337 H GLU 43 H GLU 43 14.336 4.554 9.286 338 HA GLU 43 HA GLU 43 14.681 4.673 6.366 339 HB2 GLU 43 2HB GLU 43 16.466 3.576 8.543 340 HB3 GLU 43 1HB GLU 43 16.914 3.704 6.845 341 HG2 GLU 43 2HG GLU 43 16.522 6.159 6.958 342 HG3 GLU 43 1HG GLU 43 16.172 6.001 8.679 343 H ARG 44 H ARG 44 14.080 3.036 5.037 344 HA ARG 44 HA ARG 44 13.071 0.534 6.142 345 HB2 ARG 44 2HB ARG 44 13.629 0.533 3.259 346 HB3 ARG 44 1HB ARG 44 12.108 0.258 4.103 347 HG2 ARG 44 2HG ARG 44 11.632 2.246 2.998 348 HG3 ARG 44 1HG ARG 44 12.239 2.877 4.526 349 HD2 ARG 44 2HD ARG 44 14.574 2.786 3.364 350 HD3 ARG 44 1HD ARG 44 13.647 2.689 1.870 351 HE ARG 44 HE ARG 44 12.514 4.861 3.052 352 HH11 ARG 44 1HH1 ARG 44 13.329 6.972 2.953 353 HH12 ARG 44 2HH1 ARG 44 15.028 7.219 2.728 354 HH21 ARG 44 1HH2 ARG 44 15.775 3.837 2.612 355 HH22 ARG 44 2HH2 ARG 44 16.412 5.446 2.534 356 H ALA 45 H ALA 45 14.112 -1.475 6.104 357 HA ALA 45 HA ALA 45 17.020 -1.380 5.403 358 HB1 ALA 45 1HB ALA 45 16.700 -3.626 6.942 359 HB2 ALA 45 2HB ALA 45 15.482 -2.550 7.626 360 HB3 ALA 45 3HB ALA 45 17.171 -2.047 7.569 361 H GLY 46 H GLY 46 14.184 -3.540 5.350 362 HA2 GLY 46 2HA GLY 46 15.076 -4.642 2.772 363 HA3 GLY 46 1HA GLY 46 15.089 -5.789 4.110 364 H LEU 47 H LEU 47 13.410 -6.441 2.111 365 HA LEU 47 HA LEU 47 10.781 -6.124 3.391 366 HB2 LEU 47 2HB LEU 47 10.305 -5.716 0.602 367 HB3 LEU 47 1HB LEU 47 9.914 -4.640 1.942 368 HG LEU 47 HG LEU 47 12.157 -3.654 1.823 369 HD11 LEU 47 1HD1 LEU 47 13.044 -4.619 -0.709 370 HD12 LEU 47 2HD1 LEU 47 12.706 -6.026 0.300 371 HD13 LEU 47 3HD1 LEU 47 13.845 -4.799 0.852 372 HD21 LEU 47 1HD2 LEU 47 11.258 -3.662 -1.015 373 HD22 LEU 47 2HD2 LEU 47 11.699 -2.302 0.013 374 HD23 LEU 47 3HD2 LEU 47 10.134 -3.088 0.211 375 H ALA 48 H ALA 48 9.669 -8.010 3.218 376 HA ALA 48 HA ALA 48 10.657 -9.995 1.218 377 HB1 ALA 48 1HB ALA 48 8.855 -11.023 3.282 378 HB2 ALA 48 2HB ALA 48 10.301 -10.277 3.967 379 HB3 ALA 48 3HB ALA 48 10.453 -11.598 2.808 380 H PHE 49 H PHE 49 9.198 -10.790 -0.282 381 HA PHE 49 HA PHE 49 6.342 -9.988 0.029 382 HB2 PHE 49 2HB PHE 49 8.281 -9.111 -1.999 383 HB3 PHE 49 1HB PHE 49 6.778 -9.744 -2.670 384 HD1 PHE 49 1HD PHE 49 4.820 -8.452 -2.661 385 HD2 PHE 49 2HD PHE 49 8.114 -7.344 -0.144 386 HE1 PHE 49 1HE PHE 49 3.680 -6.323 -2.116 387 HE2 PHE 49 2HE PHE 49 6.975 -5.216 0.406 388 HZ PHE 49 HZ PHE 49 4.755 -4.706 -0.587 389 H GLU 50 H GLU 50 4.952 -11.620 -0.520 390 HA GLU 50 HA GLU 50 6.050 -13.812 -2.236 391 HB2 GLU 50 2HB GLU 50 4.731 -13.990 0.434 392 HB3 GLU 50 1HB GLU 50 4.469 -15.292 -0.721 393 HG2 GLU 50 2HG GLU 50 7.165 -14.244 0.145 394 HG3 GLU 50 1HG GLU 50 6.394 -15.675 0.822 395 HA PRO 51 HA PRO 51 2.105 -12.926 -4.234 396 HB2 PRO 51 2HB PRO 51 2.239 -14.605 -6.300 397 HB3 PRO 51 1HB PRO 51 3.371 -13.244 -6.158 398 HG2 PRO 51 2HG PRO 51 3.803 -16.133 -5.545 399 HG3 PRO 51 1HG PRO 51 4.882 -14.979 -6.350 400 HD2 PRO 51 2HD PRO 51 5.059 -15.683 -3.660 401 HD3 PRO 51 1HD PRO 51 5.722 -14.195 -4.372 402 H PHE 52 H PHE 52 0.042 -13.679 -3.756 403 HA PHE 52 HA PHE 52 -0.910 -16.318 -4.027 404 HB2 PHE 52 2HB PHE 52 -1.017 -16.780 -1.431 405 HB3 PHE 52 1HB PHE 52 0.417 -17.232 -2.346 406 HD1 PHE 52 1HD PHE 52 1.612 -17.163 -0.105 407 HD2 PHE 52 2HD PHE 52 -0.084 -13.624 -1.872 408 HE1 PHE 52 1HE PHE 52 3.007 -15.723 1.362 409 HE2 PHE 52 2HE PHE 52 1.336 -12.231 -0.454 410 HZ PHE 52 HZ PHE 52 2.844 -13.243 1.182 411 H VAL 53 H VAL 53 -2.871 -16.662 -2.333 412 HA VAL 53 HA VAL 53 -4.414 -14.116 -2.362 413 HB VAL 53 HB VAL 53 -6.047 -15.483 -3.136 414 HG11 VAL 53 1HG1 VAL 53 -5.745 -17.913 -3.316 415 HG12 VAL 53 2HG1 VAL 53 -4.362 -17.832 -2.225 416 HG13 VAL 53 3HG1 VAL 53 -4.278 -17.067 -3.813 417 HG21 VAL 53 1HG2 VAL 53 -6.698 -15.418 -0.712 418 HG22 VAL 53 2HG2 VAL 53 -5.836 -16.942 -0.480 419 HG23 VAL 53 3HG2 VAL 53 -7.242 -16.874 -1.540 420 H GLY 54 H GLY 54 -5.223 -13.270 -0.323 421 HA2 GLY 54 2HA GLY 54 -5.170 -13.012 2.046 422 HA3 GLY 54 1HA GLY 54 -4.981 -14.777 2.151 423 H GLY 55 H GLY 55 -3.067 -12.740 0.186 424 HA2 GLY 55 2HA GLY 55 -0.600 -13.851 1.011 425 HA3 GLY 55 1HA GLY 55 -0.842 -12.481 -0.061 426 H ARG 56 H ARG 56 1.378 -12.250 1.337 427 HA ARG 56 HA ARG 56 0.668 -10.147 3.311 428 HB2 ARG 56 2HB ARG 56 2.462 -12.510 3.911 429 HB3 ARG 56 1HB ARG 56 2.316 -11.083 4.937 430 HG2 ARG 56 2HG ARG 56 -0.133 -11.516 5.127 431 HG3 ARG 56 1HG ARG 56 0.085 -12.998 4.195 432 HD2 ARG 56 2HD ARG 56 1.752 -13.750 5.928 433 HD3 ARG 56 1HD ARG 56 1.297 -12.347 6.894 434 HE ARG 56 HE ARG 56 -1.101 -13.681 6.273 435 HH11 ARG 56 1HH1 ARG 56 -2.005 -15.146 7.738 436 HH12 ARG 56 2HH1 ARG 56 -0.993 -15.894 8.929 437 HH21 ARG 56 1HH2 ARG 56 1.889 -14.278 7.881 438 HH22 ARG 56 2HH2 ARG 56 1.211 -15.402 9.010 439 H TYR 57 H TYR 57 2.210 -8.567 3.580 440 HA TYR 57 HA TYR 57 4.654 -8.716 1.866 441 HB2 TYR 57 2HB TYR 57 3.136 -6.198 2.602 442 HB3 TYR 57 1HB TYR 57 4.503 -6.327 1.504 443 HD1 TYR 57 1HD TYR 57 1.401 -5.414 1.259 444 HD2 TYR 57 2HD TYR 57 3.731 -8.768 -0.098 445 HE1 TYR 57 1HE TYR 57 -0.158 -5.739 -0.636 446 HE2 TYR 57 2HE TYR 57 2.165 -9.099 -1.972 447 HH TYR 57 HH TYR 57 -0.204 -6.729 -2.812 448 H TYR 58 H TYR 58 6.573 -8.003 2.860 449 HA TYR 58 HA TYR 58 6.326 -7.386 5.780 450 HB2 TYR 58 2HB TYR 58 8.403 -9.084 4.386 451 HB3 TYR 58 1HB TYR 58 8.299 -8.789 6.120 452 HD1 TYR 58 1HD TYR 58 7.055 -10.254 7.466 453 HD2 TYR 58 2HD TYR 58 6.266 -10.082 3.248 454 HE1 TYR 58 1HE TYR 58 5.457 -12.137 7.682 455 HE2 TYR 58 2HE TYR 58 4.666 -11.948 3.464 456 HH TYR 58 HH TYR 58 3.381 -12.951 6.324 457 H GLU 59 H GLU 59 7.775 -5.900 6.632 458 HA GLU 59 HA GLU 59 9.728 -4.643 4.751 459 HB2 GLU 59 2HB GLU 59 7.743 -3.165 5.021 460 HB3 GLU 59 1HB GLU 59 8.001 -3.168 6.767 461 HG2 GLU 59 2HG GLU 59 10.282 -2.229 6.386 462 HG3 GLU 59 1HG GLU 59 9.926 -2.139 4.660 463 H TRP 60 H TRP 60 11.707 -4.128 5.703 464 HA TRP 60 HA TRP 60 12.079 -5.141 8.493 465 HB2 TRP 60 2HB TRP 60 13.641 -5.230 6.026 466 HB3 TRP 60 1HB TRP 60 14.586 -4.644 7.389 467 HD1 TRP 60 HD TRP 60 14.145 -6.299 9.718 468 HE1 TRP 60 1HE TRP 60 14.302 -8.878 9.747 469 HE3 TRP 60 3HE TRP 60 13.504 -7.282 4.750 470 HZ2 TRP 60 2HZ TRP 60 14.142 -11.065 7.897 471 HZ3 TRP 60 3HZ TRP 60 13.508 -9.609 3.909 472 HH2 TRP 60 HH TRP 60 13.832 -11.499 5.473 473 H ASP 61 H ASP 61 12.596 -3.640 10.078 474 HA ASP 61 HA ASP 61 13.333 -0.897 9.087 475 HB2 ASP 61 2HB ASP 61 12.848 -0.916 11.909 476 HB3 ASP 61 1HB ASP 61 11.932 -0.105 10.641 477 H ILE 62 H ILE 62 15.355 -0.074 9.639 478 HA ILE 62 HA ILE 62 17.460 -1.798 10.237 479 HB ILE 62 HB ILE 62 18.828 0.144 10.652 480 HG12 ILE 62 2HG1 ILE 62 17.315 1.320 12.219 481 HG13 ILE 62 1HG1 ILE 62 17.899 2.382 10.955 482 HG21 ILE 62 1HG2 ILE 62 17.708 1.667 8.737 483 HG22 ILE 62 2HG2 ILE 62 16.819 0.166 8.487 484 HG23 ILE 62 3HG2 ILE 62 18.580 0.172 8.398 485 HD11 ILE 62 1HD1 ILE 62 15.603 2.881 11.075 486 HD12 ILE 62 2HD1 ILE 62 15.145 1.195 11.278 487 HD13 ILE 62 3HD1 ILE 62 15.699 1.773 9.714 488 H ASP 63 H ASP 63 15.494 0.052 12.527 489 HA ASP 63 HA ASP 63 16.976 -1.271 14.749 490 HB2 ASP 63 2HB ASP 63 15.087 1.108 14.732 491 HB3 ASP 63 1HB ASP 63 15.785 0.403 16.191 492 H GLY 64 H GLY 64 14.255 -1.499 12.831 493 HA2 GLY 64 2HA GLY 64 12.734 -2.925 14.954 494 HA3 GLY 64 1HA GLY 64 11.985 -2.184 13.550 495 H THR 65 H THR 65 12.222 -4.973 14.684 496 HA THR 65 HA THR 65 13.612 -6.674 12.883 497 HB THR 65 HB THR 65 11.070 -7.300 14.392 498 HG1 THR 65 1HG THR 65 12.863 -8.019 15.938 499 HG21 THR 65 1HG2 THR 65 11.543 -9.224 13.221 500 HG22 THR 65 2HG2 THR 65 12.556 -9.490 14.637 501 HG23 THR 65 3HG2 THR 65 13.271 -8.883 13.146 502 H GLU 66 H GLU 66 12.098 -8.402 11.647 503 HA GLU 66 HA GLU 66 10.802 -6.928 9.488 504 HB2 GLU 66 2HB GLU 66 12.077 -9.165 9.288 505 HB3 GLU 66 1HB GLU 66 10.645 -9.908 9.966 506 HG2 GLU 66 2HG GLU 66 9.298 -8.866 8.156 507 HG3 GLU 66 1HG GLU 66 10.793 -8.276 7.433 508 H ILE 67 H ILE 67 8.532 -6.875 9.100 509 HA ILE 67 HA ILE 67 6.772 -8.309 10.992 510 HB ILE 67 HB ILE 67 5.540 -6.129 11.460 511 HG12 ILE 67 2HG1 ILE 67 8.157 -4.836 10.754 512 HG13 ILE 67 1HG1 ILE 67 6.901 -5.026 9.532 513 HG21 ILE 67 1HG2 ILE 67 7.026 -5.553 13.294 514 HG22 ILE 67 2HG2 ILE 67 8.388 -6.322 12.478 515 HG23 ILE 67 3HG2 ILE 67 7.051 -7.304 13.077 516 HD11 ILE 67 1HD1 ILE 67 5.302 -3.883 11.103 517 HD12 ILE 67 2HD1 ILE 67 6.626 -2.849 10.563 518 HD13 ILE 67 3HD1 ILE 67 6.665 -3.564 12.175 519 H VAL 68 H VAL 68 4.444 -8.066 10.387 520 HA VAL 68 HA VAL 68 4.177 -7.811 7.421 521 HB VAL 68 HB VAL 68 2.222 -9.045 9.385 522 HG11 VAL 68 1HG1 VAL 68 1.320 -8.357 7.181 523 HG12 VAL 68 2HG1 VAL 68 1.317 -10.111 7.365 524 HG13 VAL 68 3HG1 VAL 68 2.556 -9.329 6.383 525 HG21 VAL 68 1HG2 VAL 68 4.772 -10.029 8.425 526 HG22 VAL 68 2HG2 VAL 68 3.456 -11.057 7.855 527 HG23 VAL 68 3HG2 VAL 68 3.663 -10.765 9.582 528 H TRP 69 H TRP 69 3.253 -5.919 6.746 529 HA TRP 69 HA TRP 69 1.498 -4.488 8.712 530 HB2 TRP 69 2HB TRP 69 2.113 -2.593 6.854 531 HB3 TRP 69 1HB TRP 69 3.003 -2.851 8.355 532 HD1 TRP 69 HD TRP 69 5.343 -4.005 8.231 533 HE1 TRP 69 1HE TRP 69 6.945 -4.496 6.273 534 HE3 TRP 69 3HE TRP 69 2.173 -3.278 4.309 535 HZ2 TRP 69 2HZ TRP 69 6.885 -4.559 3.415 536 HZ3 TRP 69 3HZ TRP 69 2.966 -3.551 1.980 537 HH2 TRP 69 HH TRP 69 5.315 -4.190 1.534 538 H GLY 70 H GLY 70 1.111 -6.415 6.093 539 HA2 GLY 70 2HA GLY 70 -1.505 -5.211 5.513 540 HA3 GLY 70 1HA GLY 70 -0.376 -5.182 4.161 541 H ARG 71 H ARG 71 -2.279 -6.534 3.336 542 HA ARG 71 HA ARG 71 -1.481 -9.328 3.403 543 HB2 ARG 71 2HB ARG 71 -3.330 -8.741 5.279 544 HB3 ARG 71 1HB ARG 71 -4.397 -8.973 3.900 545 HG2 ARG 71 2HG ARG 71 -3.360 -11.185 3.479 546 HG3 ARG 71 1HG ARG 71 -2.353 -10.966 4.908 547 HD2 ARG 71 2HD ARG 71 -4.266 -12.305 5.532 548 HD3 ARG 71 1HD ARG 71 -4.467 -10.709 6.247 549 HE ARG 71 HE ARG 71 -5.832 -10.392 3.930 550 HH11 ARG 71 1HH1 ARG 71 -7.962 -11.031 3.546 551 HH12 ARG 71 2HH1 ARG 71 -8.628 -12.362 4.432 552 HH21 ARG 71 1HH2 ARG 71 -5.733 -12.946 6.248 553 HH22 ARG 71 2HH2 ARG 71 -7.367 -13.445 5.960 554 H ILE 72 H ILE 72 -3.350 -10.466 1.898 555 HA ILE 72 HA ILE 72 -4.038 -8.597 -0.299 556 HB ILE 72 HB ILE 72 -2.716 -11.309 -0.643 557 HG12 ILE 72 2HG1 ILE 72 -1.744 -8.551 -1.430 558 HG13 ILE 72 1HG1 ILE 72 -1.245 -9.380 0.040 559 HG21 ILE 72 1HG2 ILE 72 -4.048 -9.390 -2.518 560 HG22 ILE 72 2HG2 ILE 72 -4.129 -11.152 -2.488 561 HG23 ILE 72 3HG2 ILE 72 -2.681 -10.345 -3.088 562 HD11 ILE 72 1HD1 ILE 72 -0.341 -9.795 -2.706 563 HD12 ILE 72 2HD1 ILE 72 -0.855 -11.292 -1.946 564 HD13 ILE 72 3HD1 ILE 72 0.403 -10.310 -1.194 565 H LEU 73 H LEU 73 -5.752 -9.713 -1.776 566 HA LEU 73 HA LEU 73 -7.480 -11.456 -0.063 567 HB2 LEU 73 2HB LEU 73 -8.106 -9.259 -2.005 568 HB3 LEU 73 1HB LEU 73 -9.291 -10.532 -1.720 569 HG LEU 73 HG LEU 73 -7.993 -9.214 0.637 570 HD11 LEU 73 1HD1 LEU 73 -10.405 -8.082 -0.804 571 HD12 LEU 73 2HD1 LEU 73 -8.785 -7.398 -0.910 572 HD13 LEU 73 3HD1 LEU 73 -9.625 -7.431 0.639 573 HD21 LEU 73 1HD2 LEU 73 -10.709 -10.431 0.045 574 HD22 LEU 73 2HD2 LEU 73 -10.294 -9.661 1.574 575 HD23 LEU 73 3HD2 LEU 73 -9.439 -11.114 1.059 576 H GLU 74 H GLU 74 -6.719 -10.742 -3.454 577 HA GLU 74 HA GLU 74 -6.243 -13.465 -4.184 578 HB2 GLU 74 2HB GLU 74 -8.733 -13.580 -3.815 579 HB3 GLU 74 1HB GLU 74 -8.928 -12.369 -5.086 580 HG2 GLU 74 2HG GLU 74 -7.746 -13.888 -6.669 581 HG3 GLU 74 1HG GLU 74 -7.667 -15.110 -5.399 582 H TRP 75 H TRP 75 -5.674 -13.591 -6.476 583 HA TRP 75 HA TRP 75 -5.187 -10.890 -7.637 584 HB2 TRP 75 2HB TRP 75 -3.357 -11.902 -8.863 585 HB3 TRP 75 1HB TRP 75 -3.213 -12.368 -7.165 586 HD1 TRP 75 HD TRP 75 -3.770 -14.876 -6.513 587 HE1 TRP 75 1HE TRP 75 -3.916 -17.034 -7.915 588 HE3 TRP 75 3HE TRP 75 -4.020 -12.865 -11.200 589 HZ2 TRP 75 2HZ TRP 75 -4.113 -17.806 -10.664 590 HZ3 TRP 75 3HZ TRP 75 -4.185 -14.332 -13.190 591 HH2 TRP 75 HH TRP 75 -4.233 -16.797 -12.928 592 H ASP 76 H ASP 76 -6.292 -10.330 -9.451 593 HA ASP 76 HA ASP 76 -7.706 -12.494 -10.936 594 HB2 ASP 76 2HB ASP 76 -8.689 -10.104 -9.891 595 HB3 ASP 76 1HB ASP 76 -8.503 -9.771 -11.614 596 HA PRO 77 HA PRO 77 -4.727 -12.297 -14.256 597 HB2 PRO 77 2HB PRO 77 -7.268 -11.945 -15.833 598 HB3 PRO 77 1HB PRO 77 -5.847 -12.941 -16.211 599 HG2 PRO 77 2HG PRO 77 -8.061 -13.977 -15.107 600 HG3 PRO 77 1HG PRO 77 -6.440 -14.591 -14.745 601 HD2 PRO 77 2HD PRO 77 -8.289 -13.153 -12.985 602 HD3 PRO 77 1HD PRO 77 -6.803 -14.031 -12.560 603 HA PRO 78 HA PRO 78 -3.508 -8.154 -15.122 604 HB2 PRO 78 2HB PRO 78 -4.117 -8.827 -17.982 605 HB3 PRO 78 1HB PRO 78 -2.688 -8.030 -17.294 606 HG2 PRO 78 2HG PRO 78 -2.801 -10.679 -17.974 607 HG3 PRO 78 1HG PRO 78 -1.686 -9.993 -16.785 608 HD2 PRO 78 2HD PRO 78 -3.858 -11.836 -16.313 609 HD3 PRO 78 1HD PRO 78 -2.723 -11.160 -15.126 610 H HIS 79 H HIS 79 -5.619 -7.507 -14.079 611 HA HIS 79 HA HIS 79 -7.026 -5.638 -15.666 612 HB2 HIS 79 2HB HIS 79 -7.931 -8.085 -16.360 613 HB3 HIS 79 1HB HIS 79 -8.975 -7.763 -14.972 614 HD1 HIS 79 1HD HIS 79 -9.406 -4.781 -15.181 615 HD2 HIS 79 2HD HIS 79 -9.504 -7.282 -18.518 616 HE1 HIS 79 1HE HIS 79 -10.706 -3.541 -16.961 617 HE2 HIS 79 2HE HIS 79 -10.790 -5.060 -18.996 618 H ARG 80 H ARG 80 -7.325 -7.866 -12.844 619 HA ARG 80 HA ARG 80 -7.925 -5.463 -11.233 620 HB2 ARG 80 2HB ARG 80 -10.144 -6.105 -11.945 621 HB3 ARG 80 1HB ARG 80 -9.856 -7.778 -11.458 622 HG2 ARG 80 2HG ARG 80 -9.688 -7.132 -9.124 623 HG3 ARG 80 1HG ARG 80 -9.778 -5.426 -9.549 624 HD2 ARG 80 2HD ARG 80 -12.040 -5.792 -10.478 625 HD3 ARG 80 1HD ARG 80 -11.947 -7.478 -9.982 626 HE ARG 80 HE ARG 80 -11.447 -5.733 -7.743 627 HH11 ARG 80 1HH1 ARG 80 -13.088 -5.554 -6.199 628 HH12 ARG 80 2HH1 ARG 80 -14.696 -6.054 -6.602 629 HH21 ARG 80 1HH2 ARG 80 -13.875 -7.007 -9.833 630 HH22 ARG 80 2HH2 ARG 80 -15.141 -6.876 -8.660 631 H LEU 81 H LEU 81 -7.400 -5.637 -9.093 632 HA LEU 81 HA LEU 81 -6.681 -8.294 -8.000 633 HB2 LEU 81 2HB LEU 81 -4.828 -5.918 -8.157 634 HB3 LEU 81 1HB LEU 81 -4.581 -7.232 -7.013 635 HG LEU 81 HG LEU 81 -5.034 -8.446 -9.523 636 HD11 LEU 81 1HD1 LEU 81 -4.573 -6.322 -10.605 637 HD12 LEU 81 2HD1 LEU 81 -3.204 -7.407 -10.855 638 HD13 LEU 81 3HD1 LEU 81 -3.106 -6.122 -9.650 639 HD21 LEU 81 1HD2 LEU 81 -2.406 -7.941 -8.105 640 HD22 LEU 81 2HD2 LEU 81 -2.773 -9.269 -9.204 641 HD23 LEU 81 3HD2 LEU 81 -3.558 -9.185 -7.626 642 H ALA 82 H ALA 82 -7.505 -8.471 -5.991 643 HA ALA 82 HA ALA 82 -8.306 -5.965 -4.561 644 HB1 ALA 82 1HB ALA 82 -9.945 -7.334 -3.378 645 HB2 ALA 82 2HB ALA 82 -9.303 -8.801 -4.118 646 HB3 ALA 82 3HB ALA 82 -10.136 -7.603 -5.110 647 H MET 83 H MET 83 -7.726 -5.847 -2.234 648 HA MET 83 HA MET 83 -5.977 -8.025 -1.289 649 HB2 MET 83 2HB MET 83 -4.412 -5.860 -0.644 650 HB3 MET 83 1HB MET 83 -4.112 -6.967 -1.984 651 HG2 MET 83 2HG MET 83 -5.431 -5.511 -3.482 652 HG3 MET 83 1HG MET 83 -5.730 -4.404 -2.141 653 HE1 MET 83 1HE MET 83 -2.579 -4.421 -0.666 654 HE2 MET 83 2HE MET 83 -4.099 -3.532 -0.713 655 HE3 MET 83 3HE MET 83 -2.616 -2.755 -1.260 656 H THR 84 H THR 84 -5.922 -8.235 0.937 657 HA THR 84 HA THR 84 -7.476 -6.172 2.466 658 HB THR 84 HB THR 84 -6.786 -9.064 3.087 659 HG1 THR 84 1HG THR 84 -9.353 -8.217 3.326 660 HG21 THR 84 1HG2 THR 84 -8.267 -8.550 5.151 661 HG22 THR 84 2HG2 THR 84 -7.872 -6.861 4.830 662 HG23 THR 84 3HG2 THR 84 -6.587 -8.015 5.186 663 H TRP 85 H TRP 85 -6.412 -5.291 4.417 664 HA TRP 85 HA TRP 85 -3.467 -5.814 4.405 665 HB2 TRP 85 2HB TRP 85 -3.005 -3.548 4.686 666 HB3 TRP 85 1HB TRP 85 -4.356 -3.539 3.552 667 HD1 TRP 85 HD TRP 85 -6.807 -3.862 5.373 668 HE1 TRP 85 1HE TRP 85 -7.448 -2.049 7.093 669 HE3 TRP 85 3HE TRP 85 -2.307 -1.513 5.888 670 HZ2 TRP 85 2HZ TRP 85 -6.208 0.118 8.498 671 HZ3 TRP 85 3HZ TRP 85 -2.061 0.421 7.415 672 HH2 TRP 85 HH TRP 85 -4.002 1.240 8.718 673 H ARG 86 H ARG 86 -2.587 -6.533 6.289 674 HA ARG 86 HA ARG 86 -4.247 -6.147 8.760 675 HB2 ARG 86 2HB ARG 86 -2.413 -8.406 7.951 676 HB3 ARG 86 1HB ARG 86 -2.947 -8.174 9.616 677 HG2 ARG 86 2HG ARG 86 -5.324 -8.176 8.756 678 HG3 ARG 86 1HG ARG 86 -4.685 -8.664 7.187 679 HD2 ARG 86 2HD ARG 86 -3.578 -10.620 8.332 680 HD3 ARG 86 1HD ARG 86 -4.432 -10.168 9.806 681 HE ARG 86 HE ARG 86 -6.340 -10.405 7.701 682 HH11 ARG 86 1HH1 ARG 86 -7.594 -12.284 7.596 683 HH12 ARG 86 2HH1 ARG 86 -7.048 -13.719 8.396 684 HH21 ARG 86 1HH2 ARG 86 -4.146 -12.258 9.609 685 HH22 ARG 86 2HH2 ARG 86 -5.096 -13.705 9.536 686 H ILE 87 H ILE 87 -3.389 -4.746 10.158 687 HA ILE 87 HA ILE 87 -0.476 -4.757 10.656 688 HB ILE 87 HB ILE 87 -1.044 -3.024 8.845 689 HG12 ILE 87 2HG1 ILE 87 0.103 -1.887 11.408 690 HG13 ILE 87 1HG1 ILE 87 0.987 -3.026 10.392 691 HG21 ILE 87 1HG2 ILE 87 -2.169 -1.027 9.511 692 HG22 ILE 87 2HG2 ILE 87 -2.133 -1.488 11.213 693 HG23 ILE 87 3HG2 ILE 87 -3.182 -2.351 10.088 694 HD11 ILE 87 1HD1 ILE 87 1.215 -1.509 8.653 695 HD12 ILE 87 2HD1 ILE 87 1.242 -0.408 10.028 696 HD13 ILE 87 3HD1 ILE 87 -0.241 -0.625 9.096 697 H ASP 88 H ASP 88 0.035 -3.679 12.719 698 HA ASP 88 HA ASP 88 -2.338 -3.626 14.520 699 HB2 ASP 88 2HB ASP 88 -0.564 -5.177 15.177 700 HB3 ASP 88 1HB ASP 88 0.595 -3.855 15.199 701 H GLY 89 H GLY 89 -2.098 -2.011 16.360 702 HA2 GLY 89 2HA GLY 89 -2.113 0.624 15.332 703 HA3 GLY 89 1HA GLY 89 -1.998 0.229 17.047 704 H HIS 90 H HIS 90 0.537 -1.207 16.829 705 HA HIS 90 HA HIS 90 2.311 1.154 16.370 706 HB2 HIS 90 2HB HIS 90 1.996 -0.423 18.641 707 HB3 HIS 90 1HB HIS 90 3.493 -1.012 17.924 708 HD1 HIS 90 1HD HIS 90 2.878 1.095 20.472 709 HD2 HIS 90 2HD HIS 90 4.673 1.841 16.782 710 HE1 HIS 90 1HE HIS 90 4.287 3.182 20.769 711 HE2 HIS 90 2HE HIS 90 5.385 3.645 18.529 712 H TRP 91 H TRP 91 1.627 -0.435 14.146 713 HA TRP 91 HA TRP 91 2.625 -1.599 12.377 714 HB2 TRP 91 2HB TRP 91 5.006 -0.391 13.782 715 HB3 TRP 91 1HB TRP 91 5.189 -1.368 12.326 716 HD1 TRP 91 HD TRP 91 3.511 -0.546 10.223 717 HE1 TRP 91 1HE TRP 91 3.070 1.866 9.439 718 HE3 TRP 91 3HE TRP 91 4.906 2.018 14.398 719 HZ2 TRP 91 2HZ TRP 91 3.298 4.531 10.457 720 HZ3 TRP 91 3HZ TRP 91 4.795 4.487 14.473 721 HH2 TRP 91 HH TRP 91 3.988 5.751 12.500 722 H GLN 92 H GLN 92 2.088 -3.076 14.909 723 HA GLN 92 HA GLN 92 4.265 -5.109 14.818 724 HB2 GLN 92 2HB GLN 92 1.952 -4.809 16.761 725 HB3 GLN 92 1HB GLN 92 3.243 -6.006 16.875 726 HG2 GLN 92 2HG GLN 92 4.915 -4.211 17.067 727 HG3 GLN 92 1HG GLN 92 3.638 -3.006 16.913 728 HE21 GLN 92 1HE2 GLN 92 5.239 -3.037 19.249 729 HE22 GLN 92 2HE2 GLN 92 4.294 -3.550 20.562 730 H SER 93 H SER 93 3.674 -7.361 14.522 731 HA SER 93 HA SER 93 1.240 -7.650 12.837 732 HB2 SER 93 2HB SER 93 3.445 -8.349 11.892 733 HB3 SER 93 1HB SER 93 3.583 -9.548 13.179 734 HG SER 93 HG SER 93 2.605 -10.688 11.651 735 H VAL 94 H VAL 94 -0.387 -9.061 13.388 736 HA VAL 94 HA VAL 94 -0.024 -10.729 15.837 737 HB VAL 94 HB VAL 94 -2.619 -10.035 16.100 738 HG11 VAL 94 1HG1 VAL 94 -0.951 -9.828 17.863 739 HG12 VAL 94 2HG1 VAL 94 -1.834 -8.307 17.730 740 HG13 VAL 94 3HG1 VAL 94 -0.213 -8.450 17.047 741 HG21 VAL 94 1HG2 VAL 94 -1.443 -7.406 15.269 742 HG22 VAL 94 2HG2 VAL 94 -3.133 -7.904 15.334 743 HG23 VAL 94 3HG2 VAL 94 -2.097 -8.469 14.024 744 HA PRO 95 HA PRO 95 -1.775 -14.071 13.582 745 HB2 PRO 95 2HB PRO 95 -3.859 -14.797 15.359 746 HB3 PRO 95 1HB PRO 95 -2.213 -15.452 15.331 747 HG2 PRO 95 2HG PRO 95 -3.396 -13.398 17.089 748 HG3 PRO 95 1HG PRO 95 -2.074 -14.534 17.401 749 HD2 PRO 95 2HD PRO 95 -1.634 -11.887 16.979 750 HD3 PRO 95 1HD PRO 95 -0.468 -13.133 16.476 751 H ASP 96 H ASP 96 -4.126 -11.812 14.977 752 HA ASP 96 HA ASP 96 -5.561 -11.785 12.387 753 HB2 ASP 96 2HB ASP 96 -6.887 -12.346 15.049 754 HB3 ASP 96 1HB ASP 96 -7.761 -11.960 13.567 755 H ASP 97 H ASP 97 -6.596 -9.760 12.013 756 HA ASP 97 HA ASP 97 -5.895 -7.665 14.012 757 HB2 ASP 97 2HB ASP 97 -6.389 -7.571 11.034 758 HB3 ASP 97 1HB ASP 97 -6.325 -6.120 12.033 759 H ASP 98 H ASP 98 -7.565 -7.013 15.249 760 HA ASP 98 HA ASP 98 -10.321 -7.595 14.600 761 HB2 ASP 98 2HB ASP 98 -9.074 -5.777 16.671 762 HB3 ASP 98 1HB ASP 98 -10.795 -6.145 16.586 763 H ARG 99 H ARG 99 -8.147 -4.930 14.084 764 HA ARG 99 HA ARG 99 -10.356 -3.218 13.097 765 HB2 ARG 99 2HB ARG 99 -8.329 -1.559 12.920 766 HB3 ARG 99 1HB ARG 99 -9.020 -1.914 14.504 767 HG2 ARG 99 2HG ARG 99 -7.291 -3.580 14.930 768 HG3 ARG 99 1HG ARG 99 -6.637 -3.358 13.306 769 HD2 ARG 99 2HD ARG 99 -5.260 -2.075 14.804 770 HD3 ARG 99 1HD ARG 99 -6.250 -0.927 13.902 771 HE ARG 99 HE ARG 99 -7.388 -0.396 15.915 772 HH11 ARG 99 1HH1 ARG 99 -7.631 -0.537 18.158 773 HH12 ARG 99 2HH1 ARG 99 -6.862 -1.827 19.019 774 HH21 ARG 99 1HH2 ARG 99 -5.447 -3.232 16.183 775 HH22 ARG 99 2HH2 ARG 99 -5.625 -3.354 17.901 776 H ALA 100 H ALA 100 -9.501 -5.539 11.569 777 HA ALA 100 HA ALA 100 -7.827 -4.478 9.395 778 HB1 ALA 100 1HB ALA 100 -8.574 -7.076 10.354 779 HB2 ALA 100 2HB ALA 100 -7.358 -6.662 9.146 780 HB3 ALA 100 3HB ALA 100 -9.028 -6.950 8.655 781 H SER 101 H SER 101 -8.563 -4.114 7.270 782 HA SER 101 HA SER 101 -11.524 -4.116 6.869 783 HB2 SER 101 2HB SER 101 -11.412 -1.926 5.835 784 HB3 SER 101 1HB SER 101 -10.660 -1.815 7.425 785 HG SER 101 HG SER 101 -8.643 -1.992 6.416 786 H GLU 102 H GLU 102 -11.999 -3.825 4.415 787 HA GLU 102 HA GLU 102 -10.006 -5.464 2.907 788 HB2 GLU 102 2HB GLU 102 -12.974 -5.084 2.423 789 HB3 GLU 102 1HB GLU 102 -11.904 -6.110 1.465 790 HG2 GLU 102 2HG GLU 102 -11.374 -7.422 3.512 791 HG3 GLU 102 1HG GLU 102 -12.520 -6.434 4.417 792 H ILE 103 H ILE 103 -9.308 -4.772 0.868 793 HA ILE 103 HA ILE 103 -10.202 -2.034 0.052 794 HB ILE 103 HB ILE 103 -7.438 -3.243 -0.239 795 HG12 ILE 103 2HG1 ILE 103 -8.401 -0.999 1.563 796 HG13 ILE 103 1HG1 ILE 103 -8.079 -2.648 2.109 797 HG21 ILE 103 1HG2 ILE 103 -8.757 -1.092 -1.580 798 HG22 ILE 103 2HG2 ILE 103 -7.075 -1.598 -1.729 799 HG23 ILE 103 3HG2 ILE 103 -7.531 -0.399 -0.519 800 HD11 ILE 103 1HD1 ILE 103 -6.165 -0.519 1.264 801 HD12 ILE 103 2HD1 ILE 103 -5.751 -2.186 0.863 802 HD13 ILE 103 3HD1 ILE 103 -6.013 -1.723 2.545 803 H GLU 104 H GLU 104 -10.755 -1.811 -2.085 804 HA GLU 104 HA GLU 104 -10.422 -4.230 -3.817 805 HB2 GLU 104 2HB GLU 104 -12.509 -2.029 -3.958 806 HB3 GLU 104 1HB GLU 104 -12.402 -3.409 -5.050 807 HG2 GLU 104 2HG GLU 104 -12.683 -4.937 -3.108 808 HG3 GLU 104 1HG GLU 104 -12.874 -3.533 -2.057 809 H VAL 105 H VAL 105 -8.954 -3.932 -5.425 810 HA VAL 105 HA VAL 105 -8.588 -1.168 -6.478 811 HB VAL 105 HB VAL 105 -6.414 -3.222 -6.026 812 HG11 VAL 105 1HG1 VAL 105 -6.114 -1.609 -7.945 813 HG12 VAL 105 2HG1 VAL 105 -4.896 -1.450 -6.680 814 HG13 VAL 105 3HG1 VAL 105 -6.220 -0.290 -6.778 815 HG21 VAL 105 1HG2 VAL 105 -6.590 -2.509 -3.877 816 HG22 VAL 105 2HG2 VAL 105 -7.588 -1.125 -4.325 817 HG23 VAL 105 3HG2 VAL 105 -5.832 -1.031 -4.471 818 H ASP 106 H ASP 106 -8.526 -1.018 -8.707 819 HA ASP 106 HA ASP 106 -8.622 -3.604 -10.206 820 HB2 ASP 106 2HB ASP 106 -9.925 -0.950 -10.869 821 HB3 ASP 106 1HB ASP 106 -9.959 -2.377 -11.908 822 H PHE 107 H PHE 107 -7.059 -3.890 -11.742 823 HA PHE 107 HA PHE 107 -5.371 -1.524 -12.437 824 HB2 PHE 107 2HB PHE 107 -4.698 -4.475 -12.288 825 HB3 PHE 107 1HB PHE 107 -3.605 -3.236 -12.896 826 HD1 PHE 107 1HD PHE 107 -2.285 -1.950 -11.419 827 HD2 PHE 107 2HD PHE 107 -5.601 -4.218 -9.910 828 HE1 PHE 107 1HE PHE 107 -1.563 -1.458 -9.097 829 HE2 PHE 107 2HE PHE 107 -4.883 -3.733 -7.594 830 HZ PHE 107 HZ PHE 107 -2.858 -2.354 -7.181 831 H VAL 108 H VAL 108 -5.476 -0.918 -14.544 832 HA VAL 108 HA VAL 108 -6.364 -2.944 -16.556 833 HB VAL 108 HB VAL 108 -6.846 -0.016 -16.932 834 HG11 VAL 108 1HG1 VAL 108 -8.784 -0.913 -18.208 835 HG12 VAL 108 2HG1 VAL 108 -8.278 -2.548 -17.782 836 HG13 VAL 108 3HG1 VAL 108 -7.247 -1.544 -18.801 837 HG21 VAL 108 1HG2 VAL 108 -8.566 -1.922 -15.315 838 HG22 VAL 108 2HG2 VAL 108 -9.077 -0.321 -15.854 839 HG23 VAL 108 3HG2 VAL 108 -7.748 -0.482 -14.706 840 HA PRO 109 HA PRO 109 -2.334 -1.606 -18.139 841 HB2 PRO 109 2HB PRO 109 -2.032 -3.484 -20.058 842 HB3 PRO 109 1HB PRO 109 -1.817 -3.847 -18.335 843 HG2 PRO 109 2HG PRO 109 -4.120 -4.427 -20.116 844 HG3 PRO 109 1HG PRO 109 -3.426 -5.403 -18.812 845 HD2 PRO 109 2HD PRO 109 -5.714 -3.853 -18.555 846 HD3 PRO 109 1HD PRO 109 -4.691 -4.368 -17.196 847 H ASN 110 H ASN 110 -1.903 -0.084 -19.625 848 HA ASN 110 HA ASN 110 -3.649 0.093 -22.032 849 HB2 ASN 110 2HB ASN 110 -3.990 1.936 -20.380 850 HB3 ASN 110 1HB ASN 110 -2.292 2.359 -20.573 851 HD21 ASN 110 1HD2 ASN 110 -3.445 4.492 -21.343 852 HD22 ASN 110 2HD2 ASN 110 -3.814 4.587 -22.998 853 H GLY 111 H GLY 111 -2.576 0.501 -24.013 854 HA2 GLY 111 2HA GLY 111 0.192 -0.352 -24.116 855 HA3 GLY 111 1HA GLY 111 -0.759 0.224 -25.488 856 H SER 112 H SER 112 1.594 1.201 -25.749 857 HA SER 112 HA SER 112 2.872 3.166 -25.846 858 HB2 SER 112 2HB SER 112 1.452 4.794 -26.480 859 HB3 SER 112 1HB SER 112 0.111 3.971 -25.688 860 HG SER 112 HG SER 112 0.275 5.812 -24.568 861 H GLY 113 H GLY 113 2.244 1.602 -23.177 862 HA2 GLY 113 2HA GLY 113 3.271 1.709 -21.052 863 HA3 GLY 113 1HA GLY 113 4.032 3.224 -21.550 864 H GLY 114 H GLY 114 0.817 1.933 -20.649 865 HA2 GLY 114 2HA GLY 114 0.417 4.361 -18.999 866 HA3 GLY 114 1HA GLY 114 -0.800 3.992 -20.216 867 H THR 115 H THR 115 -0.778 3.935 -17.149 868 HA THR 115 HA THR 115 -2.046 1.252 -16.905 869 HB THR 115 HB THR 115 -0.895 2.110 -14.393 870 HG1 THR 115 1HG THR 115 0.617 2.484 -16.618 871 HG21 THR 115 1HG2 THR 115 -1.427 -0.172 -14.626 872 HG22 THR 115 2HG2 THR 115 0.331 -0.140 -14.737 873 HG23 THR 115 3HG2 THR 115 -0.637 -0.297 -16.198 874 H ARG 116 H ARG 116 -4.130 1.549 -16.304 875 HA ARG 116 HA ARG 116 -4.815 4.027 -14.784 876 HB2 ARG 116 2HB ARG 116 -6.005 3.611 -16.956 877 HB3 ARG 116 1HB ARG 116 -6.693 2.152 -16.232 878 HG2 ARG 116 2HG ARG 116 -7.811 3.424 -14.528 879 HG3 ARG 116 1HG ARG 116 -6.951 4.897 -14.984 880 HD2 ARG 116 2HD ARG 116 -8.029 4.850 -17.184 881 HD3 ARG 116 1HD ARG 116 -8.898 3.384 -16.735 882 HE ARG 116 HE ARG 116 -10.399 4.731 -15.510 883 HH11 ARG 116 1HH1 ARG 116 -11.113 6.698 -14.658 884 HH12 ARG 116 2HH1 ARG 116 -10.048 8.064 -14.658 885 HH21 ARG 116 1HH2 ARG 116 -7.428 6.356 -16.155 886 HH22 ARG 116 2HH2 ARG 116 -7.961 7.870 -15.505 887 H VAL 117 H VAL 117 -5.005 3.660 -12.623 888 HA VAL 117 HA VAL 117 -6.006 0.977 -11.763 889 HB VAL 117 HB VAL 117 -4.013 2.754 -10.339 890 HG11 VAL 117 1HG1 VAL 117 -3.809 0.767 -8.832 891 HG12 VAL 117 2HG1 VAL 117 -5.155 0.019 -9.689 892 HG13 VAL 117 3HG1 VAL 117 -5.410 1.504 -8.773 893 HG21 VAL 117 1HG2 VAL 117 -2.520 1.747 -11.709 894 HG22 VAL 117 2HG2 VAL 117 -3.758 0.676 -12.369 895 HG23 VAL 117 3HG2 VAL 117 -2.910 0.237 -10.885 896 H GLU 118 H GLU 118 -7.604 0.920 -10.257 897 HA GLU 118 HA GLU 118 -8.560 3.555 -9.197 898 HB2 GLU 118 2HB GLU 118 -10.189 1.076 -9.850 899 HB3 GLU 118 1HB GLU 118 -10.830 2.580 -9.191 900 HG2 GLU 118 2HG GLU 118 -10.015 3.785 -11.206 901 HG3 GLU 118 1HG GLU 118 -9.457 2.251 -11.874 902 H LEU 119 H LEU 119 -7.708 3.533 -7.136 903 HA LEU 119 HA LEU 119 -7.925 1.019 -5.562 904 HB2 LEU 119 2HB LEU 119 -5.705 2.205 -5.776 905 HB3 LEU 119 1HB LEU 119 -6.411 3.551 -4.886 906 HG LEU 119 HG LEU 119 -6.752 0.886 -3.629 907 HD11 LEU 119 1HD1 LEU 119 -4.051 2.266 -3.690 908 HD12 LEU 119 2HD1 LEU 119 -4.430 0.770 -4.544 909 HD13 LEU 119 3HD1 LEU 119 -4.463 0.811 -2.782 910 HD21 LEU 119 1HD2 LEU 119 -7.277 3.341 -2.785 911 HD22 LEU 119 2HD2 LEU 119 -5.568 3.333 -2.356 912 HD23 LEU 119 3HD2 LEU 119 -6.657 2.132 -1.663 913 H ALA 120 H ALA 120 -9.444 0.884 -3.963 914 HA ALA 120 HA ALA 120 -10.538 3.442 -2.871 915 HB1 ALA 120 1HB ALA 120 -12.404 1.146 -3.111 916 HB2 ALA 120 2HB ALA 120 -11.959 1.945 -4.619 917 HB3 ALA 120 3HB ALA 120 -12.707 2.871 -3.317 918 H HIS 121 H HIS 121 -10.022 3.435 -0.737 919 HA HIS 121 HA HIS 121 -9.969 0.825 0.710 920 HB2 HIS 121 2HB HIS 121 -8.417 1.743 2.153 921 HB3 HIS 121 1HB HIS 121 -8.087 2.757 0.751 922 HD1 HIS 121 1HD HIS 121 -8.551 3.136 4.207 923 HD2 HIS 121 2HD HIS 121 -10.160 5.122 0.911 924 HE1 HIS 121 1HE HIS 121 -9.377 5.382 5.055 925 HE2 HIS 121 2HE HIS 121 -10.356 6.595 3.055 926 H VAL 122 H VAL 122 -11.546 0.440 2.296 927 HA VAL 122 HA VAL 122 -13.340 2.740 2.933 928 HB VAL 122 HB VAL 122 -15.276 1.197 2.703 929 HG11 VAL 122 1HG1 VAL 122 -14.206 2.682 0.828 930 HG12 VAL 122 2HG1 VAL 122 -15.436 1.497 0.391 931 HG13 VAL 122 3HG1 VAL 122 -13.731 1.135 0.126 932 HG21 VAL 122 1HG2 VAL 122 -14.776 -1.016 2.718 933 HG22 VAL 122 2HG2 VAL 122 -13.077 -0.706 2.362 934 HG23 VAL 122 3HG2 VAL 122 -14.250 -0.807 1.049 935 H LYS 123 H LYS 123 -14.449 2.659 4.862 936 HA LYS 123 HA LYS 123 -14.668 2.276 7.152 937 HB2 LYS 123 2HB LYS 123 -14.194 -0.635 6.573 938 HB3 LYS 123 1HB LYS 123 -15.334 0.102 7.700 939 HG2 LYS 123 2HG LYS 123 -15.502 0.098 4.675 940 HG3 LYS 123 1HG LYS 123 -16.598 -0.699 5.799 941 HD2 LYS 123 2HD LYS 123 -17.254 1.526 6.704 942 HD3 LYS 123 1HD LYS 123 -16.210 2.303 5.513 943 HE2 LYS 123 2HE LYS 123 -18.198 2.356 4.355 944 HE3 LYS 123 1HE LYS 123 -17.591 0.787 3.825 945 HZ1 LYS 123 1HZ LYS 123 -19.008 0.616 6.298 946 HZ2 LYS 123 2HZ LYS 123 -19.237 -0.257 4.859 947 HZ3 LYS 123 3HZ LYS 123 -19.979 1.257 5.065 948 H LEU 124 H LEU 124 -11.957 2.763 6.130 949 HA LEU 124 HA LEU 124 -10.124 1.029 7.551 950 HB2 LEU 124 2HB LEU 124 -9.766 2.854 5.621 951 HB3 LEU 124 1HB LEU 124 -9.414 3.864 7.022 952 HG LEU 124 HG LEU 124 -7.832 2.069 7.817 953 HD11 LEU 124 1HD1 LEU 124 -7.860 0.083 6.755 954 HD12 LEU 124 2HD1 LEU 124 -7.286 0.881 5.291 955 HD13 LEU 124 3HD1 LEU 124 -9.017 0.706 5.578 956 HD21 LEU 124 1HD2 LEU 124 -6.352 2.570 5.547 957 HD22 LEU 124 2HD2 LEU 124 -6.505 3.672 6.916 958 HD23 LEU 124 3HD2 LEU 124 -7.550 3.863 5.508 959 H HIS 125 H HIS 125 -11.851 4.018 8.241 960 HA HIS 125 HA HIS 125 -10.663 4.928 10.578 961 HB2 HIS 125 2HB HIS 125 -12.563 6.103 9.675 962 HB3 HIS 125 1HB HIS 125 -13.605 4.706 9.938 963 HD1 HIS 125 1HD HIS 125 -11.088 6.208 12.361 964 HD2 HIS 125 2HD HIS 125 -15.202 5.590 12.047 965 HE1 HIS 125 1HE HIS 125 -12.085 6.871 14.593 966 HE2 HIS 125 2HE HIS 125 -14.590 6.508 14.410 967 H ARG 126 H ARG 126 -11.984 1.864 10.059 968 HA ARG 126 HA ARG 126 -13.055 1.138 12.535 969 HB2 ARG 126 2HB ARG 126 -12.947 -0.380 10.580 970 HB3 ARG 126 1HB ARG 126 -11.204 -0.492 10.778 971 HG2 ARG 126 2HG ARG 126 -12.067 -2.447 11.811 972 HG3 ARG 126 1HG ARG 126 -11.681 -1.364 13.146 973 HD2 ARG 126 2HD ARG 126 -14.015 -0.675 13.306 974 HD3 ARG 126 1HD ARG 126 -14.430 -1.660 11.903 975 HE ARG 126 HE ARG 126 -13.942 -2.642 14.624 976 HH11 ARG 126 1HH1 ARG 126 -14.305 -4.856 14.905 977 HH12 ARG 126 2HH1 ARG 126 -14.481 -5.875 13.516 978 HH21 ARG 126 1HH2 ARG 126 -14.068 -3.291 11.239 979 HH22 ARG 126 2HH2 ARG 126 -14.347 -4.990 11.441 980 H HIS 127 H HIS 127 -9.708 1.640 11.595 981 HA HIS 127 HA HIS 127 -8.687 0.713 14.177 982 HB2 HIS 127 2HB HIS 127 -6.496 1.616 13.275 983 HB3 HIS 127 1HB HIS 127 -7.233 0.344 12.309 984 HD1 HIS 127 1HD HIS 127 -9.109 3.388 11.805 985 HD2 HIS 127 2HD HIS 127 -5.593 1.798 10.239 986 HE1 HIS 127 1HE HIS 127 -8.650 4.625 9.645 987 HE2 HIS 127 2HE HIS 127 -6.507 3.681 8.695 988 H GLY 128 H GLY 128 -9.702 3.716 12.743 989 HA2 GLY 128 2HA GLY 128 -9.510 5.949 13.520 990 HA3 GLY 128 1HA GLY 128 -10.152 5.197 14.981 991 H ASP 129 H ASP 129 -8.990 6.490 16.430 992 HA ASP 129 HA ASP 129 -7.133 7.258 17.646 993 HB2 ASP 129 2HB ASP 129 -7.160 4.746 18.058 994 HB3 ASP 129 1HB ASP 129 -5.913 4.615 16.818 995 H GLY 130 H GLY 130 -4.373 6.079 16.853 996 HA2 GLY 130 2HA GLY 130 -3.692 8.274 15.026 997 HA3 GLY 130 1HA GLY 130 -2.551 7.147 15.769 998 H ALA 131 H ALA 131 -5.398 6.686 13.674 999 HA ALA 131 HA ALA 131 -4.332 4.460 12.276 1000 HB1 ALA 131 1HB ALA 131 -6.624 4.717 11.988 1001 HB2 ALA 131 2HB ALA 131 -6.019 5.337 10.451 1002 HB3 ALA 131 3HB ALA 131 -6.502 6.456 11.724 1003 H TRP 132 H TRP 132 -4.425 7.915 11.261 1004 HA TRP 132 HA TRP 132 -2.978 7.497 8.844 1005 HB2 TRP 132 2HB TRP 132 -4.192 9.618 9.433 1006 HB3 TRP 132 1HB TRP 132 -2.877 10.003 10.549 1007 HD1 TRP 132 HD TRP 132 -0.457 10.442 9.482 1008 HE1 TRP 132 1HE TRP 132 0.246 11.219 7.127 1009 HE3 TRP 132 3HE TRP 132 -4.802 9.558 6.912 1010 HZ2 TRP 132 2HZ TRP 132 -0.876 11.436 4.513 1011 HZ3 TRP 132 3HZ TRP 132 -4.944 10.063 4.494 1012 HH2 TRP 132 HH TRP 132 -2.991 11.001 3.291 1013 H ASN 133 H ASN 133 -1.903 7.842 12.182 1014 HA ASN 133 HA ASN 133 0.849 8.374 11.736 1015 HB2 ASN 133 2HB ASN 133 -0.422 8.117 13.981 1016 HB3 ASN 133 1HB ASN 133 -0.132 6.387 13.796 1017 HD21 ASN 133 1HD2 ASN 133 1.119 7.301 15.974 1018 HD22 ASN 133 2HD2 ASN 133 2.772 7.580 15.712 1019 H ILE 134 H ILE 134 -0.955 5.323 11.735 1020 HA ILE 134 HA ILE 134 1.224 3.580 11.197 1021 HB ILE 134 HB ILE 134 -1.660 3.401 10.297 1022 HG12 ILE 134 2HG1 ILE 134 -0.278 2.216 12.724 1023 HG13 ILE 134 1HG1 ILE 134 -1.316 3.644 12.765 1024 HG21 ILE 134 1HG2 ILE 134 -0.473 0.877 10.804 1025 HG22 ILE 134 2HG2 ILE 134 0.627 1.773 9.758 1026 HG23 ILE 134 3HG2 ILE 134 -1.045 1.513 9.262 1027 HD11 ILE 134 1HD1 ILE 134 -2.790 1.899 13.331 1028 HD12 ILE 134 2HD1 ILE 134 -2.069 0.787 12.168 1029 HD13 ILE 134 3HD1 ILE 134 -3.077 2.121 11.605 1030 H HIS 135 H HIS 135 -0.946 5.453 9.123 1031 HA HIS 135 HA HIS 135 0.153 4.626 6.610 1032 HB2 HIS 135 2HB HIS 135 -2.001 5.777 6.688 1033 HB3 HIS 135 1HB HIS 135 -1.243 7.205 7.394 1034 HD1 HIS 135 1HD HIS 135 0.997 5.784 5.007 1035 HD2 HIS 135 2HD HIS 135 -2.272 8.352 4.797 1036 HE1 HIS 135 1HE HIS 135 1.154 6.911 2.756 1037 HE2 HIS 135 2HE HIS 135 -0.848 8.488 2.602 1038 H LYS 136 H LYS 136 1.069 7.068 8.976 1039 HA LYS 136 HA LYS 136 2.828 8.628 7.439 1040 HB2 LYS 136 2HB LYS 136 2.248 8.968 9.887 1041 HB3 LYS 136 1HB LYS 136 3.414 7.705 10.253 1042 HG2 LYS 136 2HG LYS 136 5.167 8.991 9.118 1043 HG3 LYS 136 1HG LYS 136 4.008 10.272 8.789 1044 HD2 LYS 136 2HD LYS 136 3.618 10.468 11.261 1045 HD3 LYS 136 1HD LYS 136 4.927 9.310 11.510 1046 HE2 LYS 136 2HE LYS 136 5.094 12.082 10.319 1047 HE3 LYS 136 1HE LYS 136 5.949 11.448 11.725 1048 HZ1 LYS 136 1HZ LYS 136 6.488 11.048 8.882 1049 HZ2 LYS 136 2HZ LYS 136 6.795 9.740 9.923 1050 HZ3 LYS 136 3HZ LYS 136 7.570 11.231 10.175 1051 H ALA 137 H ALA 137 3.232 5.385 8.769 1052 HA ALA 137 HA ALA 137 6.056 5.175 8.155 1053 HB1 ALA 137 1HB ALA 137 3.863 3.220 8.712 1054 HB2 ALA 137 2HB ALA 137 5.385 3.460 9.575 1055 HB3 ALA 137 3HB ALA 137 5.369 2.627 8.023 1056 H LEU 138 H LEU 138 3.071 4.271 6.429 1057 HA LEU 138 HA LEU 138 4.433 3.276 4.092 1058 HB2 LEU 138 2HB LEU 138 1.654 4.481 4.265 1059 HB3 LEU 138 1HB LEU 138 2.264 3.440 2.987 1060 HG LEU 138 HG LEU 138 1.901 2.674 5.895 1061 HD11 LEU 138 1HD1 LEU 138 0.165 1.203 5.075 1062 HD12 LEU 138 2HD1 LEU 138 0.553 1.601 3.401 1063 HD13 LEU 138 3HD1 LEU 138 -0.165 2.820 4.454 1064 HD21 LEU 138 1HD2 LEU 138 3.744 1.397 5.265 1065 HD22 LEU 138 2HD2 LEU 138 3.265 1.359 3.568 1066 HD23 LEU 138 3HD2 LEU 138 2.425 0.349 4.743 1067 H ASP 139 H ASP 139 3.495 6.431 5.251 1068 HA ASP 139 HA ASP 139 4.131 8.565 4.515 1069 HB2 ASP 139 2HB ASP 139 6.183 6.815 3.668 1070 HB3 ASP 139 1HB ASP 139 5.848 7.885 2.307 1071 H GLY 140 H GLY 140 2.155 9.218 3.603 1072 HA2 GLY 140 2HA GLY 140 2.040 9.016 0.626 1073 HA3 GLY 140 1HA GLY 140 0.586 8.745 1.584 1074 HA PRO 141 HA PRO 141 2.079 13.418 2.233 1075 HB2 PRO 141 2HB PRO 141 3.300 13.715 -0.467 1076 HB3 PRO 141 1HB PRO 141 3.816 14.398 1.087 1077 HG2 PRO 141 2HG PRO 141 5.113 12.366 -0.050 1078 HG3 PRO 141 1HG PRO 141 4.934 12.500 1.708 1079 HD2 PRO 141 2HD PRO 141 3.534 10.668 -0.192 1080 HD3 PRO 141 1HD PRO 141 3.986 10.405 1.506 1081 H SER 142 H SER 142 0.484 14.899 1.776 1082 HA SER 142 HA SER 142 -1.631 14.245 -0.028 1083 HB2 SER 142 2HB SER 142 -1.145 16.181 1.974 1084 HB3 SER 142 1HB SER 142 -1.549 17.075 0.512 1085 HG SER 142 HG SER 142 -3.460 15.981 0.382 1086 HA PRO 143 HA PRO 143 0.400 17.835 -2.736 1087 HB2 PRO 143 2HB PRO 143 3.243 17.221 -2.121 1088 HB3 PRO 143 1HB PRO 143 2.448 18.793 -2.344 1089 HG2 PRO 143 2HG PRO 143 3.187 17.924 0.069 1090 HG3 PRO 143 1HG PRO 143 1.718 18.885 -0.173 1091 HD2 PRO 143 2HD PRO 143 1.988 15.951 0.344 1092 HD3 PRO 143 1HD PRO 143 0.713 17.076 0.861 1093 H GLY 144 H GLY 144 1.923 14.702 -2.145 1094 HA2 GLY 144 2HA GLY 144 2.029 14.279 -5.100 1095 HA3 GLY 144 1HA GLY 144 3.249 13.623 -4.007 1096 H GLU 145 H GLU 145 0.193 13.079 -5.442 1097 HA GLU 145 HA GLU 145 -1.053 11.319 -3.627 1098 HB2 GLU 145 2HB GLU 145 -0.952 11.138 -6.646 1099 HB3 GLU 145 1HB GLU 145 -2.102 10.285 -5.621 1100 HG2 GLU 145 2HG GLU 145 -1.794 13.299 -5.756 1101 HG3 GLU 145 1HG GLU 145 -3.068 12.376 -6.554 1102 H THR 146 H THR 146 -0.950 8.983 -3.449 1103 HA THR 146 HA THR 146 1.660 7.901 -3.343 1104 HB THR 146 HB THR 146 -0.988 6.472 -3.623 1105 HG1 THR 146 1HG THR 146 -0.853 6.354 -1.392 1106 HG21 THR 146 1HG2 THR 146 0.452 4.660 -2.391 1107 HG22 THR 146 2HG2 THR 146 1.808 5.517 -3.124 1108 HG23 THR 146 3HG2 THR 146 0.553 4.813 -4.145 1109 H LEU 147 H LEU 147 -0.774 7.780 -5.898 1110 HA LEU 147 HA LEU 147 0.686 5.988 -7.599 1111 HB2 LEU 147 2HB LEU 147 -1.379 8.088 -8.320 1112 HB3 LEU 147 1HB LEU 147 -0.849 6.759 -9.347 1113 HG LEU 147 HG LEU 147 -1.473 5.275 -7.260 1114 HD11 LEU 147 1HD1 LEU 147 -3.819 6.692 -6.641 1115 HD12 LEU 147 2HD1 LEU 147 -2.526 7.879 -6.499 1116 HD13 LEU 147 3HD1 LEU 147 -2.455 6.386 -5.571 1117 HD21 LEU 147 1HD2 LEU 147 -3.192 6.418 -9.423 1118 HD22 LEU 147 2HD2 LEU 147 -3.951 5.392 -8.210 1119 HD23 LEU 147 3HD2 LEU 147 -2.631 4.764 -9.198 1120 H ALA 148 H ALA 148 0.851 9.416 -6.971 1121 HA ALA 148 HA ALA 148 2.235 10.182 -9.375 1122 HB1 ALA 148 1HB ALA 148 1.286 11.451 -6.999 1123 HB2 ALA 148 2HB ALA 148 1.803 12.204 -8.508 1124 HB3 ALA 148 3HB ALA 148 2.978 11.898 -7.227 1125 H ARG 149 H ARG 149 3.482 9.572 -6.071 1126 HA ARG 149 HA ARG 149 6.206 10.034 -6.786 1127 HB2 ARG 149 2HB ARG 149 6.569 8.528 -4.649 1128 HB3 ARG 149 1HB ARG 149 5.881 10.145 -4.501 1129 HG2 ARG 149 2HG ARG 149 3.810 9.358 -3.954 1130 HG3 ARG 149 1HG ARG 149 3.943 7.976 -5.037 1131 HD2 ARG 149 2HD ARG 149 5.064 6.673 -3.473 1132 HD3 ARG 149 1HD ARG 149 5.674 8.075 -2.593 1133 HE ARG 149 HE ARG 149 2.983 8.276 -2.171 1134 HH11 ARG 149 1HH1 ARG 149 1.856 7.203 -0.532 1135 HH12 ARG 149 2HH1 ARG 149 2.475 5.712 0.094 1136 HH21 ARG 149 1HH2 ARG 149 5.250 5.685 -1.987 1137 HH22 ARG 149 2HH2 ARG 149 4.397 4.852 -0.730 1138 H PHE 150 H PHE 150 4.497 6.900 -6.351 1139 HA PHE 150 HA PHE 150 6.793 5.358 -7.116 1140 HB2 PHE 150 2HB PHE 150 5.506 3.575 -6.621 1141 HB3 PHE 150 1HB PHE 150 4.347 4.770 -6.032 1142 HD1 PHE 150 1HD PHE 150 4.737 2.001 -8.116 1143 HD2 PHE 150 2HD PHE 150 2.890 5.862 -7.989 1144 HE1 PHE 150 1HE PHE 150 3.117 1.274 -9.846 1145 HE2 PHE 150 2HE PHE 150 1.260 5.145 -9.714 1146 HZ PHE 150 HZ PHE 150 1.381 2.850 -10.642 1147 H ALA 151 H ALA 151 4.132 6.764 -8.965 1148 HA ALA 151 HA ALA 151 4.647 5.346 -11.412 1149 HB1 ALA 151 1HB ALA 151 2.547 6.512 -11.094 1150 HB2 ALA 151 2HB ALA 151 3.390 7.243 -12.460 1151 HB3 ALA 151 3HB ALA 151 3.391 8.049 -10.893 1152 H ASN 152 H ASN 152 5.734 8.496 -10.198 1153 HA ASN 152 HA ASN 152 7.164 9.301 -12.517 1154 HB2 ASN 152 2HB ASN 152 7.744 11.100 -11.269 1155 HB3 ASN 152 1HB ASN 152 6.650 10.411 -10.067 1156 HD21 ASN 152 1HD2 ASN 152 7.579 9.299 -8.242 1157 HD22 ASN 152 2HD2 ASN 152 9.239 9.380 -7.891 1158 H VAL 153 H VAL 153 8.321 7.521 -9.645 1159 HA VAL 153 HA VAL 153 11.025 7.308 -10.586 1160 HB VAL 153 HB VAL 153 11.151 5.380 -8.958 1161 HG11 VAL 153 1HG1 VAL 153 10.587 8.181 -8.459 1162 HG12 VAL 153 2HG1 VAL 153 11.718 7.112 -7.628 1163 HG13 VAL 153 3HG1 VAL 153 10.030 7.181 -7.117 1164 HG21 VAL 153 1HG2 VAL 153 8.237 6.107 -8.644 1165 HG22 VAL 153 2HG2 VAL 153 9.130 5.157 -7.461 1166 HG23 VAL 153 3HG2 VAL 153 8.898 4.539 -9.095 1167 H ILE 154 H ILE 154 8.172 5.242 -10.969 1168 HA ILE 154 HA ILE 154 9.500 3.088 -12.282 1169 HB ILE 154 HB ILE 154 6.660 4.086 -12.290 1170 HG12 ILE 154 2HG1 ILE 154 7.959 1.612 -11.153 1171 HG13 ILE 154 1HG1 ILE 154 7.600 3.058 -10.227 1172 HG21 ILE 154 1HG2 ILE 154 7.985 2.052 -13.991 1173 HG22 ILE 154 2HG2 ILE 154 6.526 2.996 -14.294 1174 HG23 ILE 154 3HG2 ILE 154 6.454 1.570 -13.265 1175 HD11 ILE 154 1HD1 ILE 154 5.531 1.422 -11.718 1176 HD12 ILE 154 2HD1 ILE 154 5.220 2.816 -10.684 1177 HD13 ILE 154 3HD1 ILE 154 5.833 1.318 -9.985 1178 HBB 96F 201 HBB SUM 155 -0.851 11.554 -0.055 1179 HBC 96F 201 HBC SUM 155 -2.543 11.457 -0.598 1180 HBA 96F 201 HBA SUM 155 -1.242 10.804 -1.622 1181 HA2 96F 201 2HA SUM 155 -1.827 9.731 1.165 1182 HA1 96F 201 1HA SUM 155 -0.833 8.989 -0.108 1183 HAY 96F 201 HAY SUM 155 -4.066 9.913 1.070 1184 HAZ 96F 201 HAZ SUM 155 -3.956 8.153 1.315 1185 HA0 96F 201 0HA SUM 155 -5.043 8.808 0.071 1186 HBE 96F 201 HBE SUM 155 -2.633 9.458 -2.337 1187 H1 96F 201 HAV SUM 155 -3.692 7.490 -2.697 1188 HAS 96F 201 HAS SUM 155 -5.775 5.380 -3.179 1189 HAT 96F 201 HAT SUM 155 -6.001 5.670 -4.921 1190 HAU 96F 201 HAU SUM 155 -4.956 6.749 -3.969 1191 HAK 96F 201 HAK SUM 155 -4.861 4.439 -6.365 1192 HAF 96F 201 HAF SUM 155 -2.252 1.962 -9.566 1193 HAE 96F 201 HAE SUM 155 -0.188 0.726 -10.156 1194 HAD 96F 201 HAD SUM 155 1.631 0.474 -8.482 1195 HAR 96F 201 HAR SUM 155 2.406 1.962 -6.529 1196 HAQ 96F 201 HAQ SUM 155 -0.453 3.258 -2.975
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