NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577579 | 2mol | 19946 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 -5.316 -18.395 -3.078 2 HA ALA 1 HA ALA 1 -3.832 -20.899 -2.681 3 HB1 ALA 1 1HB ALA 1 -3.799 -19.497 -5.023 4 HB2 ALA 1 2HB ALA 1 -2.477 -18.694 -4.143 5 HB3 ALA 1 3HB ALA 1 -2.425 -20.451 -4.417 6 H LEU 2 H LEU 2 -4.139 -20.294 -0.365 7 HA LEU 2 HA LEU 2 -3.020 -17.854 0.562 8 HB3 LEU 2 2HB LEU 2 -3.135 -19.566 2.719 9 HG LEU 2 HG LEU 2 -5.559 -18.110 1.640 10 HD11 LEU 2 1HD1 LEU 2 -5.990 -17.819 4.123 11 HD12 LEU 2 2HD1 LEU 2 -6.175 -19.465 3.473 12 HD13 LEU 2 3HD1 LEU 2 -4.714 -19.030 4.392 13 HD21 LEU 2 3HD2 LEU 2 -4.326 -16.248 1.690 14 HD22 LEU 2 1HD2 LEU 2 -4.402 -16.403 3.462 15 HD23 LEU 2 2HD2 LEU 2 -2.996 -17.036 2.572 16 H THR 3 H THR 3 -0.904 -17.697 -0.302 17 HA THR 3 HA THR 3 0.993 -19.523 1.006 18 HB THR 3 HB THR 3 1.466 -18.433 -1.786 19 HG1 THR 3 1HG THR 3 -0.100 -20.727 -0.840 20 HG21 THR 3 3HG2 THR 3 2.238 -20.951 -0.230 21 HG22 THR 3 1HG2 THR 3 2.505 -20.776 -1.981 22 HG23 THR 3 2HG2 THR 3 3.331 -19.686 -0.841 23 H THR 4 H THR 4 3.265 -18.573 1.031 24 HA THR 4 HA THR 4 3.226 -15.654 1.081 25 HB THR 4 HB THR 4 2.581 -16.795 3.381 26 HG1 THR 4 1HG THR 4 3.260 -14.758 3.913 27 HG21 THR 4 3HG2 THR 4 4.372 -17.583 4.719 28 HG22 THR 4 1HG2 THR 4 4.741 -18.328 3.144 29 HG23 THR 4 2HG2 THR 4 5.604 -16.859 3.658 30 H ILE 5 H ILE 5 5.724 -15.189 2.153 31 HA ILE 5 HA ILE 5 7.601 -16.941 0.856 32 HB ILE 5 HB ILE 5 8.469 -14.651 -0.276 33 HG13 ILE 5 2HG1 ILE 5 6.566 -13.306 0.326 34 HG21 ILE 5 1HG2 ILE 5 8.155 -15.736 -2.254 35 HG22 ILE 5 2HG2 ILE 5 7.877 -17.094 -1.138 36 HG23 ILE 5 3HG2 ILE 5 6.493 -16.232 -1.856 37 HD11 ILE 5 3HD1 ILE 5 5.700 -13.805 -2.452 38 HD12 ILE 5 1HD1 ILE 5 6.405 -12.339 -1.728 39 HD13 ILE 5 2HD1 ILE 5 7.465 -13.654 -2.287 40 H SER 6 H SER 6 9.852 -15.312 0.920 41 HA SER 6 HA SER 6 9.929 -14.710 3.767 42 HB3 SER 6 2HB SER 6 11.441 -16.532 2.894 43 HG SER 6 HG SER 6 11.915 -15.185 0.852 44 HA PRO 7 HA PRO 7 10.774 -10.564 2.740 45 HB3 PRO 7 2HB PRO 7 10.217 -9.847 4.856 46 HG3 PRO 7 2HG PRO 7 10.352 -11.468 6.491 47 HD3 PRO 7 2HD PRO 7 10.102 -13.360 5.209 48 H HIS 8 H HIS 8 12.342 -11.847 1.180 49 HA HIS 8 HA HIS 8 14.675 -10.241 1.219 50 HB3 HIS 8 2HB HIS 8 15.562 -13.036 1.195 51 HD1 HIS 8 1HD HIS 8 17.850 -12.064 0.528 52 HD2 HIS 8 2HD HIS 8 16.309 -10.444 4.077 53 HE1 HIS 8 1HE HIS 8 19.750 -10.730 1.589 54 H ASP 9 H ASP 9 12.990 -13.188 -0.004 55 HA ASP 9 HA ASP 9 14.184 -12.765 -2.584 56 HB3 ASP 9 2HB ASP 9 11.974 -14.756 -2.157 57 HD2 ASP 9 HD ASP 9 14.786 -16.733 -3.151 58 H ALA 10 H ALA 10 11.175 -12.258 -0.763 59 HA ALA 10 HA ALA 10 9.361 -12.036 -2.855 60 HB1 ALA 10 1HB ALA 10 9.582 -11.149 -0.015 61 HB2 ALA 10 2HB ALA 10 8.386 -10.298 -1.021 62 HB3 ALA 10 3HB ALA 10 8.292 -12.065 -0.831 63 H GLN 11 H GLN 11 12.061 -10.026 -1.915 64 HA GLN 11 HA GLN 11 10.991 -7.666 -3.086 65 HB3 GLN 11 2HB GLN 11 13.884 -8.274 -2.345 66 HG3 GLN 11 2HG GLN 11 13.434 -5.648 -1.755 67 HE21 GLN 11 1HE2 GLN 11 13.583 -4.424 -4.331 68 HE22 GLN 11 2HE2 GLN 11 15.059 -4.920 -5.093 69 H GLU 12 H GLU 12 11.988 -10.556 -4.399 70 HA GLU 12 HA GLU 12 13.403 -9.340 -6.608 71 HB3 GLU 12 2HB GLU 12 12.889 -12.225 -5.791 72 HG3 GLU 12 2HG GLU 12 13.526 -11.122 -8.441 73 HE2 GLU 12 HE GLU 12 14.682 -14.161 -7.912 74 H LEU 13 H LEU 13 10.319 -10.932 -5.748 75 HA LEU 13 HA LEU 13 9.422 -11.220 -8.416 76 HB3 LEU 13 2HB LEU 13 7.568 -12.142 -7.511 77 HG LEU 13 HG LEU 13 9.054 -12.119 -4.886 78 HD11 LEU 13 1HD1 LEU 13 8.115 -14.619 -5.177 79 HD12 LEU 13 2HD1 LEU 13 7.179 -13.299 -4.435 80 HD13 LEU 13 3HD1 LEU 13 6.903 -13.738 -6.137 81 HD21 LEU 13 3HD2 LEU 13 10.853 -12.797 -6.081 82 HD22 LEU 13 1HD2 LEU 13 10.007 -14.362 -6.007 83 HD23 LEU 13 2HD2 LEU 13 9.877 -13.347 -7.463 84 H ILE 14 H ILE 14 8.835 -8.775 -5.806 85 HA ILE 14 HA ILE 14 7.109 -7.189 -7.313 86 HB ILE 14 HB ILE 14 8.910 -6.643 -4.963 87 HG13 ILE 14 2HG1 ILE 14 6.660 -8.114 -5.056 88 HG21 ILE 14 1HG2 ILE 14 8.793 -4.490 -5.726 89 HG22 ILE 14 2HG2 ILE 14 7.241 -4.744 -6.560 90 HG23 ILE 14 3HG2 ILE 14 7.281 -4.571 -4.789 91 HD11 ILE 14 3HD1 ILE 14 8.136 -7.705 -3.072 92 HD12 ILE 14 1HD1 ILE 14 7.340 -6.130 -2.837 93 HD13 ILE 14 2HD1 ILE 14 6.406 -7.634 -2.657 94 H ALA 15 H ALA 15 10.689 -7.314 -7.068 95 HA ALA 15 HA ALA 15 11.003 -4.987 -8.713 96 HB1 ALA 15 1HB ALA 15 13.056 -7.098 -7.951 97 HB2 ALA 15 2HB ALA 15 13.356 -5.413 -8.442 98 HB3 ALA 15 3HB ALA 15 12.578 -5.759 -6.879 99 H ARG 16 H ARG 16 9.920 -8.101 -9.315 100 HA ARG 16 HA ARG 16 11.304 -8.270 -11.848 101 HB3 ARG 16 2HB ARG 16 9.628 -10.472 -11.762 102 HG3 ARG 16 2HG ARG 16 12.382 -10.131 -10.485 103 HD3 ARG 16 2HD ARG 16 10.794 -12.292 -10.021 104 HE ARG 16 HE ARG 16 12.266 -13.331 -12.368 105 HH11 ARG 16 2HH2 ARG 16 9.141 -12.321 -11.036 106 HH12 ARG 16 1HH2 ARG 16 8.217 -13.164 -12.235 107 HH22 ARG 16 1HH ARG 16 9.359 -14.406 -13.938 108 H GLY 17 H GLY 17 8.288 -7.300 -10.383 109 HA2 GLY 17 1HA GLY 17 6.999 -5.898 -12.028 110 HA3 GLY 17 2HA GLY 17 6.924 -7.351 -13.005 111 H ALA 18 H ALA 18 6.696 -7.028 -9.405 112 HA ALA 18 HA ALA 18 4.025 -8.237 -9.615 113 HB1 ALA 18 1HB ALA 18 6.255 -9.232 -8.359 114 HB2 ALA 18 2HB ALA 18 5.465 -8.350 -7.029 115 HB3 ALA 18 3HB ALA 18 4.579 -9.623 -7.902 116 H LYS 19 H LYS 19 2.299 -7.121 -8.794 117 HA LYS 19 HA LYS 19 2.830 -4.451 -7.856 118 HB3 LYS 19 2HB LYS 19 0.209 -4.509 -7.789 119 HG3 LYS 19 2HG LYS 19 1.698 -3.353 -9.497 120 HD3 LYS 19 2HD LYS 19 1.301 -5.043 -11.724 121 HE3 LYS 19 2HE LYS 19 3.986 -5.310 -10.625 122 HZ1 LYS 19 2HZ LYS 19 4.362 -3.751 -12.567 123 HZ3 LYS 19 1HZ LYS 19 2.759 -3.791 -12.854 124 H LEU 20 H LEU 20 2.637 -3.686 -5.777 125 HA LEU 20 HA LEU 20 2.064 -5.744 -3.765 126 HB3 LEU 20 2HB LEU 20 3.602 -3.184 -3.361 127 HG LEU 20 HG LEU 20 3.438 -5.775 -1.811 128 HD11 LEU 20 1HD1 LEU 20 5.679 -5.579 -1.620 129 HD12 LEU 20 2HD1 LEU 20 5.681 -3.853 -2.051 130 HD13 LEU 20 3HD1 LEU 20 5.242 -4.358 -0.401 131 HD21 LEU 20 3HD2 LEU 20 2.415 -3.063 -1.452 132 HD22 LEU 20 1HD2 LEU 20 1.962 -4.583 -0.642 133 HD23 LEU 20 2HD2 LEU 20 3.352 -3.641 -0.054 134 H ILE 21 H ILE 21 -0.076 -5.630 -3.257 135 HA ILE 21 HA ILE 21 -1.359 -3.039 -3.213 136 HB ILE 21 HB ILE 21 -2.148 -5.826 -3.456 137 HG13 ILE 21 2HG1 ILE 21 -3.232 -3.130 -4.259 138 HG21 ILE 21 1HG2 ILE 21 -3.052 -5.733 -1.285 139 HG22 ILE 21 2HG2 ILE 21 -3.635 -4.066 -1.506 140 HG23 ILE 21 3HG2 ILE 21 -4.417 -5.405 -2.379 141 HD11 ILE 21 3HD1 ILE 21 -2.319 -5.620 -5.774 142 HD12 ILE 21 1HD1 ILE 21 -2.929 -4.125 -6.524 143 HD13 ILE 21 2HD1 ILE 21 -1.401 -4.103 -5.610 144 H ASP 22 H ASP 22 -1.255 -1.753 -1.460 145 HA ASP 22 HA ASP 22 -0.540 -2.976 1.040 146 HB3 ASP 22 2HB ASP 22 0.648 -1.004 0.917 147 HD2 ASP 22 HD ASP 22 -0.153 1.966 -0.689 148 H ILE 23 H ILE 23 -2.307 -3.835 2.169 149 HA ILE 23 HA ILE 23 -4.885 -2.533 1.904 150 HB ILE 23 HB ILE 23 -5.719 -4.488 3.117 151 HG13 ILE 23 2HG1 ILE 23 -3.306 -4.723 4.263 152 HG21 ILE 23 1HG2 ILE 23 -5.878 -5.600 1.191 153 HG22 ILE 23 2HG2 ILE 23 -4.809 -4.351 0.509 154 HG23 ILE 23 3HG2 ILE 23 -4.122 -5.882 1.107 155 HD11 ILE 23 3HD1 ILE 23 -5.634 -5.994 4.559 156 HD12 ILE 23 1HD1 ILE 23 -4.773 -7.297 3.706 157 HD13 ILE 23 2HD1 ILE 23 -4.135 -6.669 5.245 158 H ARG 24 H ARG 24 -2.912 -0.907 3.125 159 HA ARG 24 HA ARG 24 -3.814 -1.019 5.891 160 HB3 ARG 24 2HB ARG 24 -1.387 -1.331 5.762 161 HG3 ARG 24 2HG ARG 24 -1.556 1.081 3.931 162 HD3 ARG 24 2HD ARG 24 0.112 1.550 5.808 163 HE ARG 24 HE ARG 24 0.844 -1.053 5.677 164 HH11 ARG 24 2HH2 ARG 24 2.635 1.849 4.714 165 HH12 ARG 24 1HH2 ARG 24 4.188 1.144 5.026 166 HH22 ARG 24 1HH ARG 24 4.313 -1.109 5.833 167 H ASP 25 H ASP 25 -3.128 1.546 6.756 168 HA ASP 25 HA ASP 25 -5.214 3.047 5.800 169 HB3 ASP 25 2HB ASP 25 -4.428 4.754 7.247 170 HD2 ASP 25 HD ASP 25 -4.828 2.077 9.505 171 H ALA 26 H ALA 26 -4.696 5.511 4.986 172 HA ALA 26 HA ALA 26 -2.741 5.281 2.799 173 HB1 ALA 26 1HB ALA 26 -4.261 6.228 1.315 174 HB2 ALA 26 2HB ALA 26 -5.344 5.248 2.334 175 HB3 ALA 26 3HB ALA 26 -5.207 7.001 2.610 176 H ASP 27 H ASP 27 -4.771 7.858 4.370 177 HA ASP 27 HA ASP 27 -2.721 9.738 4.083 178 HB3 ASP 27 2HB ASP 27 -4.712 10.218 6.238 179 HD2 ASP 27 HD ASP 27 -3.050 12.916 5.020 180 H GLU 28 H GLU 28 -3.922 7.612 6.739 181 HA GLU 28 HA GLU 28 -2.490 8.745 8.802 182 HB3 GLU 28 2HB GLU 28 -2.873 6.608 9.976 183 HG3 GLU 28 2HG GLU 28 -5.406 6.396 8.721 184 HE2 GLU 28 HE GLU 28 -6.639 6.534 11.168 185 H TYR 29 H TYR 29 -1.459 6.804 6.077 186 HA TYR 29 HA TYR 29 1.179 6.492 7.348 187 HB3 TYR 29 2HB TYR 29 0.343 4.912 4.920 188 HD1 TYR 29 1HD TYR 29 2.979 4.856 5.283 189 HD2 TYR 29 2HD TYR 29 0.128 2.935 7.830 190 HE1 TYR 29 1HE TYR 29 4.782 3.269 6.117 191 HE2 TYR 29 2HE TYR 29 1.941 1.356 8.656 192 HH TYR 29 HH TYR 29 5.248 1.910 8.006 193 H LEU 30 H LEU 30 -0.533 8.394 5.232 194 HA LEU 30 HA LEU 30 0.781 8.444 2.864 195 HB3 LEU 30 2HB LEU 30 -0.641 10.405 4.547 196 HG LEU 30 HG LEU 30 1.360 11.714 3.665 197 HD11 LEU 30 1HD1 LEU 30 1.310 10.392 1.451 198 HD12 LEU 30 2HD1 LEU 30 0.021 11.524 0.975 199 HD13 LEU 30 3HD1 LEU 30 1.637 12.140 1.392 200 HD21 LEU 30 3HD2 LEU 30 0.063 13.536 3.705 201 HD22 LEU 30 1HD2 LEU 30 -0.944 12.970 2.351 202 HD23 LEU 30 2HD2 LEU 30 -1.273 12.399 4.004 203 H ARG 31 H ARG 31 2.028 9.232 6.059 204 HA ARG 31 HA ARG 31 4.050 10.923 5.411 205 HB3 ARG 31 2HB ARG 31 5.207 9.992 7.450 206 HG3 ARG 31 2HG ARG 31 2.995 10.051 8.948 207 HD3 ARG 31 2HD ARG 31 4.801 11.951 8.191 208 HE ARG 31 HE ARG 31 2.773 12.444 6.355 209 HH11 ARG 31 2HH2 ARG 31 4.144 14.265 9.067 210 HH12 ARG 31 1HH2 ARG 31 3.793 15.810 8.369 211 HH22 ARG 31 1HH ARG 31 2.713 15.915 6.232 212 H GLU 32 H GLU 32 4.100 7.286 5.533 213 HA GLU 32 HA GLU 32 6.490 7.431 3.865 214 HB3 GLU 32 2HB GLU 32 7.430 6.271 5.583 215 HG3 GLU 32 2HG GLU 32 4.600 5.469 6.408 216 HE2 GLU 32 HE GLU 32 6.512 4.407 9.435 217 H HIS 33 H HIS 33 6.707 5.754 2.182 218 HA HIS 33 HA HIS 33 4.382 4.151 1.654 219 HB3 HIS 33 2HB HIS 33 3.383 5.690 0.376 220 HD1 HIS 33 1HD HIS 33 5.934 7.192 -1.701 221 HD2 HIS 33 2HD HIS 33 4.313 8.005 2.081 222 HE1 HIS 33 1HE HIS 33 6.526 9.617 -1.176 223 H ILE 34 H ILE 34 5.177 2.195 1.082 224 HA ILE 34 HA ILE 34 7.805 1.624 0.738 225 HB ILE 34 HB ILE 34 5.377 0.266 0.665 226 HG13 ILE 34 2HG1 ILE 34 6.920 -0.770 1.957 227 HG21 ILE 34 1HG2 ILE 34 5.304 -1.097 -1.228 228 HG22 ILE 34 2HG2 ILE 34 5.635 0.526 -1.882 229 HG23 ILE 34 3HG2 ILE 34 6.955 -0.657 -1.729 230 HD11 ILE 34 3HD1 ILE 34 6.149 -2.425 0.131 231 HD12 ILE 34 1HD1 ILE 34 7.740 -2.158 -0.624 232 HD13 ILE 34 2HD1 ILE 34 7.636 -2.850 1.013 233 HA PRO 35 HA PRO 35 8.936 2.799 -3.257 234 HB3 PRO 35 2HB PRO 35 11.116 2.120 -2.960 235 HG3 PRO 35 2HG PRO 35 11.403 0.461 -1.383 236 HD3 PRO 35 2HD PRO 35 9.530 0.795 -0.094 237 H GLU 36 H GLU 36 6.396 1.848 -3.302 238 HA GLU 36 HA GLU 36 5.925 1.481 -5.888 239 HB3 GLU 36 2HB GLU 36 5.474 -1.291 -5.318 240 HG3 GLU 36 2HG GLU 36 7.551 0.076 -7.095 241 HE2 GLU 36 HE GLU 36 6.432 -3.645 -8.047 242 H ALA 37 H ALA 37 4.779 -1.037 -3.581 243 HA ALA 37 HA ALA 37 2.746 -1.446 -2.786 244 HB1 ALA 37 1HB ALA 37 2.399 1.506 -2.269 245 HB2 ALA 37 2HB ALA 37 2.007 0.121 -1.223 246 HB3 ALA 37 3HB ALA 37 3.702 0.612 -1.451 247 H ASP 38 H ASP 38 0.269 -0.513 -2.818 248 HA ASP 38 HA ASP 38 -0.387 0.898 -5.156 249 HB3 ASP 38 2HB ASP 38 -1.631 -0.991 -6.273 250 HD2 ASP 38 HD ASP 38 0.580 0.462 -6.841 251 H LEU 39 H LEU 39 -1.732 2.078 -3.661 252 HA LEU 39 HA LEU 39 -3.218 1.217 -1.622 253 HB3 LEU 39 2HB LEU 39 -4.925 3.014 -2.824 254 HG LEU 39 HG LEU 39 -2.627 3.280 -0.956 255 HD11 LEU 39 1HD1 LEU 39 -3.457 5.893 -1.120 256 HD12 LEU 39 2HD1 LEU 39 -1.946 5.238 -1.793 257 HD13 LEU 39 3HD1 LEU 39 -3.383 5.406 -2.831 258 HD21 LEU 39 3HD2 LEU 39 -4.307 4.302 0.473 259 HD22 LEU 39 1HD2 LEU 39 -5.484 4.283 -0.863 260 HD23 LEU 39 2HD2 LEU 39 -4.896 2.752 -0.174 261 H ALA 40 H ALA 40 -4.682 -0.361 -1.296 262 HA ALA 40 HA ALA 40 -6.899 -0.709 -2.987 263 HB1 ALA 40 1HB ALA 40 -6.368 -2.548 -4.270 264 HB2 ALA 40 2HB ALA 40 -4.762 -1.785 -4.200 265 HB3 ALA 40 3HB ALA 40 -5.151 -3.141 -3.114 266 HA PRO 41 HA PRO 41 -6.983 -2.320 1.272 267 HB3 PRO 41 2HB PRO 41 -7.036 -0.357 2.475 268 HG3 PRO 41 2HG PRO 41 -7.302 1.546 1.200 269 HD3 PRO 41 2HD PRO 41 -6.486 0.803 -0.817 270 H LEU 42 H LEU 42 -8.734 -3.364 2.524 271 HA LEU 42 HA LEU 42 -10.231 -4.959 0.970 272 HB3 LEU 42 2HB LEU 42 -9.873 -5.087 3.432 273 HG LEU 42 HG LEU 42 -11.373 -2.692 3.551 274 HD11 LEU 42 1HD1 LEU 42 -13.250 -4.639 3.489 275 HD12 LEU 42 2HD1 LEU 42 -12.914 -4.573 5.235 276 HD13 LEU 42 3HD1 LEU 42 -13.430 -3.104 4.371 277 HD21 LEU 42 3HD2 LEU 42 -10.616 -2.615 5.703 278 HD22 LEU 42 1HD2 LEU 42 -10.920 -4.344 5.998 279 HD23 LEU 42 2HD2 LEU 42 -9.509 -3.840 5.040 280 H SER 43 H SER 43 -11.003 -1.606 1.985 281 HA SER 43 HA SER 43 -13.619 -1.555 1.211 282 HB3 SER 43 2HB SER 43 -12.465 0.966 0.508 283 HG SER 43 HG SER 43 -14.427 0.491 1.822 284 H VAL 44 H VAL 44 -10.623 -0.891 -0.722 285 HA VAL 44 HA VAL 44 -12.139 -0.456 -3.113 286 HB VAL 44 HB VAL 44 -9.191 -0.736 -2.512 287 HG11 VAL 44 1HG1 VAL 44 -8.661 -0.679 -4.695 288 HG12 VAL 44 2HG1 VAL 44 -10.337 -1.213 -4.977 289 HG13 VAL 44 3HG1 VAL 44 -9.927 0.517 -5.066 290 HG21 VAL 44 3HG2 VAL 44 -10.337 1.275 -1.605 291 HG22 VAL 44 1HG2 VAL 44 -9.113 1.668 -2.835 292 HG23 VAL 44 2HG2 VAL 44 -10.840 1.702 -3.258 293 H LEU 45 H LEU 45 -10.260 -3.111 -1.589 294 HA LEU 45 HA LEU 45 -10.312 -4.799 -3.835 295 HB3 LEU 45 2HB LEU 45 -9.592 -6.511 -2.321 296 HG LEU 45 HG LEU 45 -8.424 -3.802 -1.706 297 HD11 LEU 45 1HD1 LEU 45 -6.566 -5.522 -0.694 298 HD12 LEU 45 2HD1 LEU 45 -7.743 -4.603 0.275 299 HD13 LEU 45 3HD1 LEU 45 -8.083 -6.292 -0.170 300 HD21 LEU 45 3HD2 LEU 45 -7.812 -6.071 -3.510 301 HD22 LEU 45 1HD2 LEU 45 -7.543 -4.324 -3.718 302 HD23 LEU 45 2HD2 LEU 45 -6.418 -5.286 -2.730 303 H GLU 46 H GLU 46 -12.770 -3.727 -1.649 304 HA GLU 46 HA GLU 46 -14.382 -6.059 -2.279 305 HB3 GLU 46 2HB GLU 46 -15.970 -4.828 -0.561 306 HG3 GLU 46 2HG GLU 46 -13.559 -5.689 0.922 307 HE2 GLU 46 HE GLU 46 -14.329 -7.001 2.583 308 H GLN 47 H GLN 47 -14.692 -2.435 -2.093 309 HA GLN 47 HA GLN 47 -17.031 -2.401 -3.607 310 HB3 GLN 47 2HB GLN 47 -15.295 0.019 -3.695 311 HG3 GLN 47 2HG GLN 47 -17.707 0.350 -2.187 312 HE21 GLN 47 1HE2 GLN 47 -19.118 1.865 -3.236 313 HE22 GLN 47 2HE2 GLN 47 -18.532 2.892 -4.501 314 H SER 48 H SER 48 -13.545 -2.122 -4.435 315 HA SER 48 HA SER 48 -14.229 -1.654 -7.189 316 HB3 SER 48 2HB SER 48 -11.399 -2.186 -6.346 317 HG SER 48 HG SER 48 -11.378 -1.307 -8.329 318 H GLY 49 H GLY 49 -12.359 -4.076 -5.216 319 HA2 GLY 49 1HA GLY 49 -12.766 -6.405 -5.510 320 HA3 GLY 49 2HA GLY 49 -13.108 -6.124 -7.205 321 H LEU 50 H LEU 50 -11.484 -7.789 -7.708 322 HA LEU 50 HA LEU 50 -8.896 -7.834 -6.902 323 HB3 LEU 50 2HB LEU 50 -10.408 -8.722 -9.269 324 HG LEU 50 HG LEU 50 -7.472 -8.205 -9.425 325 HD11 LEU 50 1HD1 LEU 50 -8.038 -10.388 -11.168 326 HD12 LEU 50 2HD1 LEU 50 -6.842 -10.285 -9.854 327 HD13 LEU 50 3HD1 LEU 50 -8.491 -10.863 -9.513 328 HD21 LEU 50 3HD2 LEU 50 -7.991 -8.074 -11.839 329 HD22 LEU 50 1HD2 LEU 50 -9.689 -8.461 -11.476 330 HD23 LEU 50 2HD2 LEU 50 -8.967 -6.956 -10.857 331 HA PRO 51 HA PRO 51 -7.130 -4.195 -8.431 332 HB3 PRO 51 2HB PRO 51 -5.491 -4.237 -6.814 333 HG3 PRO 51 2HG PRO 51 -5.135 -6.305 -5.858 334 HD3 PRO 51 2HD PRO 51 -7.175 -7.292 -6.245 335 H ALA 52 H ALA 52 -8.210 -5.060 -10.521 336 HA ALA 52 HA ALA 52 -6.649 -6.323 -12.413 337 HB1 ALA 52 1HB ALA 52 -8.354 -5.748 -13.899 338 HB2 ALA 52 2HB ALA 52 -9.184 -5.625 -12.330 339 HB3 ALA 52 3HB ALA 52 -8.611 -4.153 -13.151 340 H LYS 53 H LYS 53 -7.111 -2.769 -11.818 341 HA LYS 53 HA LYS 53 -5.439 -1.885 -13.825 342 HB3 LYS 53 2HB LYS 53 -6.924 -0.381 -12.705 343 HG3 LYS 53 2HG LYS 53 -5.378 -0.131 -10.197 344 HD3 LYS 53 2HD LYS 53 -7.783 -0.328 -9.285 345 HE3 LYS 53 2HE LYS 53 -7.255 1.764 -11.450 346 HZ1 LYS 53 2HZ LYS 53 -8.997 1.896 -9.047 347 HZ3 LYS 53 1HZ LYS 53 -9.559 1.683 -10.561 348 H LEU 54 H LEU 54 -4.703 -3.613 -10.897 349 HA LEU 54 HA LEU 54 -1.862 -3.150 -11.440 350 HB3 LEU 54 2HB LEU 54 -1.330 -2.888 -9.199 351 HG LEU 54 HG LEU 54 -3.744 -1.329 -9.951 352 HD11 LEU 54 1HD1 LEU 54 -3.340 -0.274 -7.489 353 HD12 LEU 54 2HD1 LEU 54 -4.622 -1.445 -7.882 354 HD13 LEU 54 3HD1 LEU 54 -3.101 -2.005 -7.145 355 HD21 LEU 54 3HD2 LEU 54 -1.215 -0.810 -10.331 356 HD22 LEU 54 1HD2 LEU 54 -2.329 0.492 -9.846 357 HD23 LEU 54 2HD2 LEU 54 -1.263 -0.265 -8.638 358 H ARG 55 H ARG 55 -3.475 -5.193 -12.580 359 HA ARG 55 HA ARG 55 -2.609 -7.474 -10.993 360 HB3 ARG 55 2HB ARG 55 -4.816 -7.335 -13.111 361 HG3 ARG 55 2HG ARG 55 -4.655 -9.560 -11.120 362 HD3 ARG 55 2HD ARG 55 -5.507 -9.125 -13.987 363 HE ARG 55 HE ARG 55 -5.342 -11.922 -13.055 364 HH11 ARG 55 2HH2 ARG 55 -3.901 -9.393 -15.074 365 HH12 ARG 55 1HH2 ARG 55 -3.036 -10.512 -16.075 366 HH22 ARG 55 1HH ARG 55 -3.227 -12.862 -15.646 367 H HIS 56 H HIS 56 -1.302 -9.064 -12.001 368 HA HIS 56 HA HIS 56 -0.830 -8.744 -14.853 369 HB3 HIS 56 2HB HIS 56 1.309 -8.660 -12.713 370 HD1 HIS 56 1HD HIS 56 3.351 -9.938 -13.339 371 HD2 HIS 56 2HD HIS 56 1.311 -8.500 -16.710 372 HE1 HIS 56 1HE HIS 56 4.735 -10.639 -15.365 373 H GLU 57 H GLU 57 1.244 -10.626 -12.667 374 HA GLU 57 HA GLU 57 -0.165 -13.007 -13.600 375 HB3 GLU 57 2HB GLU 57 2.396 -13.895 -13.067 376 HG3 GLU 57 2HG GLU 57 1.833 -12.718 -15.786 377 HE2 GLU 57 HE GLU 57 2.892 -13.980 -17.251 378 H GLN 58 H GLN 58 2.048 -11.681 -11.040 379 HA GLN 58 HA GLN 58 0.515 -13.272 -9.146 380 HB3 GLN 58 2HB GLN 58 3.516 -12.885 -8.871 381 HG3 GLN 58 2HG GLN 58 2.671 -15.330 -7.774 382 HE21 GLN 58 1HE2 GLN 58 3.921 -15.540 -6.084 383 HE22 GLN 58 2HE2 GLN 58 4.556 -14.277 -5.084 384 H ILE 59 H ILE 59 -0.402 -11.956 -7.634 385 HA ILE 59 HA ILE 59 0.940 -9.389 -7.144 386 HB ILE 59 HB ILE 59 -1.185 -8.434 -6.704 387 HG13 ILE 59 2HG1 ILE 59 -1.968 -10.991 -5.937 388 HG21 ILE 59 1HG2 ILE 59 -1.962 -9.980 -9.110 389 HG22 ILE 59 2HG2 ILE 59 -1.845 -8.223 -8.852 390 HG23 ILE 59 3HG2 ILE 59 -0.375 -9.176 -9.165 391 HD11 ILE 59 3HD1 ILE 59 -3.991 -8.814 -6.486 392 HD12 ILE 59 1HD1 ILE 59 -3.844 -9.882 -5.070 393 HD13 ILE 59 2HD1 ILE 59 -2.707 -8.529 -5.287 394 H ILE 60 H ILE 60 1.153 -8.656 -4.972 395 HA ILE 60 HA ILE 60 0.993 -10.862 -3.053 396 HB ILE 60 HB ILE 60 3.166 -9.573 -3.692 397 HG13 ILE 60 2HG1 ILE 60 2.906 -11.319 -1.941 398 HG21 ILE 60 1HG2 ILE 60 3.420 -7.455 -3.066 399 HG22 ILE 60 2HG2 ILE 60 1.664 -7.418 -2.777 400 HG23 ILE 60 3HG2 ILE 60 2.779 -7.777 -1.437 401 HD11 ILE 60 3HD1 ILE 60 5.019 -10.909 -1.166 402 HD12 ILE 60 1HD1 ILE 60 4.964 -9.516 -2.272 403 HD13 ILE 60 2HD1 ILE 60 4.582 -9.298 -0.548 404 H PHE 61 H PHE 61 0.453 -10.182 -0.744 405 HA PHE 61 HA PHE 61 -1.286 -7.860 -0.637 406 HB3 PHE 61 2HB PHE 61 -2.529 -10.143 0.692 407 HD1 PHE 61 1HD PHE 61 -2.872 -8.977 -2.834 408 HD2 PHE 61 2HD PHE 61 -4.530 -9.043 1.071 409 HE1 PHE 61 1HE PHE 61 -4.936 -7.835 -3.692 410 HE2 PHE 61 2HE PHE 61 -6.595 -7.899 0.214 411 HZ PHE 61 HZ PHE 61 -6.771 -7.310 -2.158 412 H HIS 62 H HIS 62 0.011 -6.846 0.907 413 HA HIS 62 HA HIS 62 -0.331 -7.621 3.547 414 HB3 HIS 62 2HB HIS 62 2.534 -8.059 2.734 415 HD1 HIS 62 1HD HIS 62 0.418 -10.311 4.898 416 HD2 HIS 62 2HD HIS 62 3.307 -7.302 5.341 417 HE1 HIS 62 1HE HIS 62 1.126 -10.356 7.349 418 H CYS 63 H CYS 63 1.196 -6.220 5.028 419 HA CYS 63 HA CYS 63 2.753 -4.218 4.271 420 HB3 CYS 63 2HB CYS 63 0.671 -2.376 4.267 421 HG CYS 63 HG CYS 63 1.980 -1.368 2.581 422 H GLN 64 H GLN 64 2.638 -5.628 6.516 423 HA GLN 64 HA GLN 64 1.994 -3.657 8.471 424 HB3 GLN 64 2HB GLN 64 0.812 -5.872 9.687 425 HG3 GLN 64 2HG GLN 64 -1.360 -4.621 9.176 426 HE21 GLN 64 1HE2 GLN 64 -1.837 -3.712 11.017 427 HE22 GLN 64 2HE2 GLN 64 -0.794 -2.763 12.025 428 H ALA 65 H ALA 65 2.501 -4.785 10.809 429 HA ALA 65 HA ALA 65 4.947 -6.360 10.371 430 HB1 ALA 65 1HB ALA 65 4.701 -4.787 12.867 431 HB2 ALA 65 2HB ALA 65 6.080 -4.959 11.754 432 HB3 ALA 65 3HB ALA 65 4.773 -3.810 11.381 433 H GLY 66 H GLY 66 2.529 -7.717 10.473 434 HA2 GLY 66 1HA GLY 66 1.844 -9.616 11.538 435 HA3 GLY 66 2HA GLY 66 2.878 -9.245 12.904 436 H LYS 67 H LYS 67 -0.340 -9.022 11.556 437 HA LYS 67 HA LYS 67 -1.230 -7.825 14.072 438 HB3 LYS 67 2HB LYS 67 -2.292 -7.017 11.350 439 HG3 LYS 67 2HG LYS 67 -2.855 -5.142 13.422 440 HD3 LYS 67 2HD LYS 67 -4.306 -6.877 11.511 441 HE3 LYS 67 2HE LYS 67 -5.279 -6.652 14.271 442 HZ1 LYS 67 2HZ LYS 67 -6.413 -4.704 13.134 443 HZ3 LYS 67 1HZ LYS 67 -7.425 -5.803 13.782 444 H ARG 68 H ARG 68 -2.898 -8.875 11.036 445 HA ARG 68 HA ARG 68 -3.543 -11.385 11.953 446 HB3 ARG 68 2HB ARG 68 -5.953 -9.544 12.204 447 HG3 ARG 68 2HG ARG 68 -5.345 -12.406 12.612 448 HD3 ARG 68 2HD ARG 68 -7.359 -11.615 14.587 449 HE ARG 68 HE ARG 68 -6.493 -13.747 15.050 450 HH11 ARG 68 2HH2 ARG 68 -3.810 -11.456 14.725 451 HH12 ARG 68 1HH2 ARG 68 -2.618 -12.584 15.276 452 HH22 ARG 68 1HH ARG 68 -3.292 -14.801 15.888 453 H THR 69 H THR 69 -2.813 -11.336 9.607 454 HA THR 69 HA THR 69 -4.802 -10.314 7.740 455 HB THR 69 HB THR 69 -2.165 -11.747 7.166 456 HG1 THR 69 1HG THR 69 -1.787 -9.951 8.608 457 HG21 THR 69 3HG2 THR 69 -2.280 -10.733 5.063 458 HG22 THR 69 1HG2 THR 69 -4.023 -10.918 5.371 459 HG23 THR 69 2HG2 THR 69 -3.227 -9.354 5.671 460 H SER 70 H SER 70 -3.294 -13.449 8.717 461 HA SER 70 HA SER 70 -4.487 -15.063 6.933 462 HB3 SER 70 2HB SER 70 -4.230 -15.711 9.900 463 HG SER 70 HG SER 70 -5.196 -17.309 8.320 464 H ASN 71 H ASN 71 -5.981 -13.234 9.543 465 HA ASN 71 HA ASN 71 -8.146 -14.626 10.211 466 HB3 ASN 71 2HB ASN 71 -8.767 -11.806 9.425 467 HD21 ASN 71 1HD2 ASN 71 -7.719 -13.739 12.234 468 HD22 ASN 71 2HD2 ASN 71 -9.144 -13.521 13.194 469 H ASN 72 H ASN 72 -8.005 -12.256 7.431 470 HA ASN 72 HA ASN 72 -9.981 -13.936 6.103 471 HB3 ASN 72 2HB ASN 72 -11.078 -11.936 5.218 472 HD21 ASN 72 1HD2 ASN 72 -11.139 -9.636 7.043 473 HD22 ASN 72 2HD2 ASN 72 -11.913 -10.162 8.500 474 H ALA 73 H ALA 73 -7.293 -14.418 5.678 475 HA ALA 73 HA ALA 73 -6.417 -12.776 3.443 476 HB1 ALA 73 1HB ALA 73 -5.118 -15.035 5.019 477 HB2 ALA 73 2HB ALA 73 -4.338 -14.158 3.681 478 HB3 ALA 73 3HB ALA 73 -4.785 -13.293 5.171 479 H ASP 74 H ASP 74 -8.455 -15.405 3.967 480 HA ASP 74 HA ASP 74 -7.569 -16.947 1.739 481 HB3 ASP 74 2HB ASP 74 -8.818 -18.527 2.775 482 HD2 ASP 74 HD ASP 74 -8.380 -17.507 5.975 483 H LYS 75 H LYS 75 -10.899 -15.711 2.523 484 HA LYS 75 HA LYS 75 -11.859 -15.605 -0.011 485 HB3 LYS 75 2HB LYS 75 -12.716 -13.401 1.782 486 HG3 LYS 75 2HG LYS 75 -14.734 -15.345 1.289 487 HD3 LYS 75 2HD LYS 75 -15.382 -13.540 -0.518 488 HE3 LYS 75 2HE LYS 75 -15.673 -13.668 2.294 489 HZ1 LYS 75 2HZ LYS 75 -14.610 -11.069 1.396 490 HZ3 LYS 75 1HZ LYS 75 -14.281 -11.875 2.774 491 H LEU 76 H LEU 76 -9.500 -13.482 1.523 492 HA LEU 76 HA LEU 76 -9.821 -11.301 -0.235 493 HB3 LEU 76 2HB LEU 76 -7.255 -11.114 0.607 494 HG LEU 76 HG LEU 76 -9.628 -10.560 2.412 495 HD11 LEU 76 1HD1 LEU 76 -8.281 -9.314 3.756 496 HD12 LEU 76 2HD1 LEU 76 -7.083 -10.510 3.201 497 HD13 LEU 76 3HD1 LEU 76 -7.153 -8.901 2.443 498 HD21 LEU 76 3HD2 LEU 76 -10.271 -8.953 1.030 499 HD22 LEU 76 1HD2 LEU 76 -8.651 -8.218 1.092 500 HD23 LEU 76 2HD2 LEU 76 -9.019 -9.456 -0.131 501 H ALA 77 H ALA 77 -7.738 -14.248 -0.240 502 HA ALA 77 HA ALA 77 -6.266 -13.545 -2.513 503 HB1 ALA 77 1HB ALA 77 -5.918 -15.393 -0.702 504 HB2 ALA 77 2HB ALA 77 -6.962 -16.386 -1.748 505 HB3 ALA 77 3HB ALA 77 -5.429 -15.735 -2.379 506 H ALA 78 H ALA 78 -9.554 -14.712 -2.042 507 HA ALA 78 HA ALA 78 -9.781 -15.532 -4.816 508 HB1 ALA 78 1HB ALA 78 -11.163 -16.014 -2.300 509 HB2 ALA 78 2HB ALA 78 -12.307 -15.532 -3.575 510 HB3 ALA 78 3HB ALA 78 -11.236 -16.930 -3.825 511 H ILE 79 H ILE 79 -9.969 -12.670 -2.924 512 HA ILE 79 HA ILE 79 -12.029 -11.439 -4.517 513 HB ILE 79 HB ILE 79 -10.368 -10.707 -2.157 514 HG13 ILE 79 2HG1 ILE 79 -12.595 -11.787 -1.947 515 HG21 ILE 79 1HG2 ILE 79 -11.005 -8.373 -2.274 516 HG22 ILE 79 2HG2 ILE 79 -10.052 -8.815 -3.711 517 HG23 ILE 79 3HG2 ILE 79 -11.819 -8.642 -3.834 518 HD11 ILE 79 3HD1 ILE 79 -12.484 -8.887 -0.997 519 HD12 ILE 79 1HD1 ILE 79 -13.520 -10.166 -0.320 520 HD13 ILE 79 2HD1 ILE 79 -11.750 -10.275 -0.159 521 H ALA 80 H ALA 80 -8.496 -11.739 -4.443 522 HA ALA 80 HA ALA 80 -8.274 -9.679 -6.502 523 HB1 ALA 80 1HB ALA 80 -5.792 -10.095 -6.099 524 HB2 ALA 80 2HB ALA 80 -6.698 -9.434 -4.716 525 HB3 ALA 80 3HB ALA 80 -6.278 -11.162 -4.759 526 H ALA 81 H ALA 81 -9.491 -12.542 -6.701 527 HA ALA 81 HA ALA 81 -7.639 -13.627 -8.692 528 HB1 ALA 81 1HB ALA 81 -9.880 -15.331 -8.267 529 HB2 ALA 81 2HB ALA 81 -8.201 -15.573 -7.724 530 HB3 ALA 81 3HB ALA 81 -9.368 -14.740 -6.668 531 HA PRO 82 HA PRO 82 -8.491 -15.509 -9.828 532 HB3 PRO 82 2HB PRO 82 -9.443 -16.713 -11.544 533 HG3 PRO 82 2HG PRO 82 -10.712 -15.464 -13.009 534 HD3 PRO 82 2HD PRO 82 -11.269 -13.690 -11.656 535 H ALA 83 H ALA 83 -6.493 -15.351 -9.055 536 HA ALA 83 HA ALA 83 -4.394 -14.661 -10.772 537 HB1 ALA 83 1HB ALA 83 -4.378 -12.510 -8.800 538 HB2 ALA 83 2HB ALA 83 -4.172 -12.431 -10.567 539 HB3 ALA 83 3HB ALA 83 -5.804 -12.414 -9.858 540 H GLU 84 H GLU 84 -2.286 -14.665 -9.578 541 HA GLU 84 HA GLU 84 -2.526 -16.483 -7.385 542 HB3 GLU 84 2HB GLU 84 0.117 -16.218 -7.574 543 HG3 GLU 84 2HG GLU 84 -0.403 -17.521 -10.008 544 HE2 GLU 84 HE GLU 84 1.387 -19.681 -8.015 545 H ILE 85 H ILE 85 -3.046 -15.589 -5.418 546 HA ILE 85 HA ILE 85 -1.813 -13.031 -4.738 547 HB ILE 85 HB ILE 85 -3.865 -14.405 -3.057 548 HG13 ILE 85 2HG1 ILE 85 -5.644 -13.310 -4.442 549 HG21 ILE 85 1HG2 ILE 85 -3.497 -11.485 -3.761 550 HG22 ILE 85 2HG2 ILE 85 -4.494 -12.183 -2.462 551 HG23 ILE 85 3HG2 ILE 85 -2.720 -12.281 -2.372 552 HD11 ILE 85 3HD1 ILE 85 -3.269 -12.495 -5.967 553 HD12 ILE 85 1HD1 ILE 85 -4.454 -13.356 -6.980 554 HD13 ILE 85 2HD1 ILE 85 -4.944 -11.901 -6.078 555 H PHE 86 H PHE 86 -0.624 -12.750 -2.771 556 HA PHE 86 HA PHE 86 0.075 -15.190 -1.356 557 HB3 PHE 86 2HB PHE 86 2.547 -14.123 -1.617 558 HD1 PHE 86 2HD PHE 86 1.001 -14.785 -4.899 559 HD2 PHE 86 1HD PHE 86 3.127 -16.433 -1.617 560 HE1 PHE 86 2HE PHE 86 1.443 -16.867 -6.230 561 HE2 PHE 86 1HE PHE 86 3.569 -18.514 -2.948 562 HZ PHE 86 HZ PHE 86 2.722 -18.707 -5.238 563 H LEU 87 H LEU 87 1.368 -14.693 0.664 564 HA LEU 87 HA LEU 87 0.650 -12.012 1.627 565 HB3 LEU 87 2HB LEU 87 0.418 -12.979 3.830 566 HG LEU 87 HG LEU 87 -1.146 -14.483 1.722 567 HD11 LEU 87 1HD1 LEU 87 -2.655 -15.219 3.515 568 HD12 LEU 87 2HD1 LEU 87 -1.020 -15.896 3.699 569 HD13 LEU 87 3HD1 LEU 87 -1.542 -14.539 4.727 570 HD21 LEU 87 3HD2 LEU 87 -2.998 -13.001 2.726 571 HD22 LEU 87 1HD2 LEU 87 -1.662 -12.045 3.414 572 HD23 LEU 87 2HD2 LEU 87 -1.797 -12.247 1.650 573 H LEU 88 H LEU 88 2.151 -11.088 3.270 574 HA LEU 88 HA LEU 88 4.891 -11.874 2.591 575 HB3 LEU 88 2HB LEU 88 4.023 -9.277 3.839 576 HG LEU 88 HG LEU 88 6.554 -10.301 2.969 577 HD11 LEU 88 1HD1 LEU 88 7.193 -8.358 1.486 578 HD12 LEU 88 2HD1 LEU 88 6.149 -9.596 0.743 579 HD13 LEU 88 3HD1 LEU 88 5.451 -8.048 1.281 580 HD21 LEU 88 3HD2 LEU 88 7.319 -8.737 4.380 581 HD22 LEU 88 1HD2 LEU 88 6.363 -7.439 3.628 582 HD23 LEU 88 2HD2 LEU 88 5.606 -8.528 4.816 583 H GLU 89 H GLU 89 6.040 -12.979 4.075 584 HA GLU 89 HA GLU 89 5.149 -13.940 6.355 585 HB3 GLU 89 2HB GLU 89 7.979 -12.970 6.496 586 HG3 GLU 89 2HG GLU 89 7.167 -15.856 6.377 587 HE2 GLU 89 HE GLU 89 8.837 -13.561 8.718 588 H ASP 90 H ASP 90 4.628 -13.277 8.420 589 HA ASP 90 HA ASP 90 3.991 -10.814 9.047 590 HB3 ASP 90 2HB ASP 90 4.145 -11.424 11.391 591 HD2 ASP 90 HD ASP 90 2.132 -12.402 11.513 592 H GLY 91 H GLY 91 5.384 -9.090 8.396 593 HA2 GLY 91 1HA GLY 91 7.235 -8.010 10.007 594 HA3 GLY 91 2HA GLY 91 8.197 -9.152 9.092 595 H ILE 92 H ILE 92 6.734 -6.028 9.111 596 HA ILE 92 HA ILE 92 6.372 -5.629 6.364 597 HB ILE 92 HB ILE 92 5.379 -4.228 8.074 598 HG13 ILE 92 2HG1 ILE 92 5.512 -2.209 6.916 599 HG21 ILE 92 1HG2 ILE 92 6.641 -3.756 9.858 600 HG22 ILE 92 2HG2 ILE 92 8.162 -3.950 8.954 601 HG23 ILE 92 3HG2 ILE 92 7.273 -2.409 8.880 602 HD11 ILE 92 3HD1 ILE 92 8.387 -2.741 6.979 603 HD12 ILE 92 1HD1 ILE 92 7.859 -2.264 5.348 604 HD13 ILE 92 2HD1 ILE 92 7.533 -1.199 6.738 605 H ASP 93 H ASP 93 9.203 -6.195 8.218 606 HA ASP 93 HA ASP 93 11.111 -4.620 7.353 607 HB3 ASP 93 2HB ASP 93 12.451 -6.926 6.984 608 HD2 ASP 93 HD ASP 93 11.675 -8.055 9.897 609 H GLY 94 H GLY 94 11.210 -7.748 5.622 610 HA2 GLY 94 1HA GLY 94 11.698 -8.202 3.461 611 HA3 GLY 94 2HA GLY 94 10.257 -7.252 3.147 612 H TRP 95 H TRP 95 10.429 -5.024 2.500 613 HA TRP 95 HA TRP 95 12.668 -4.456 0.928 614 HB3 TRP 95 2HB TRP 95 10.186 -3.067 1.751 615 HD1 TRP 95 HD TRP 95 10.349 -0.565 2.480 616 HE1 TRP 95 1HE TRP 95 11.715 1.599 1.833 617 HE3 TRP 95 3HE TRP 95 13.418 -2.861 -0.861 618 HZ2 TRP 95 2HZ TRP 95 13.877 2.096 0.038 619 HZ3 TRP 95 3HZ TRP 95 15.128 -1.465 -2.018 620 HH2 TRP 95 HH TRP 95 15.385 0.933 -1.615 621 H LYS 96 H LYS 96 11.766 -3.760 4.313 622 HA LYS 96 HA LYS 96 14.009 -1.961 4.632 623 HB3 LYS 96 2HB LYS 96 12.073 -2.982 6.727 624 HG3 LYS 96 2HG LYS 96 14.019 -0.648 6.514 625 HD3 LYS 96 2HD LYS 96 12.346 -0.822 8.949 626 HE3 LYS 96 2HE LYS 96 12.976 1.461 7.015 627 HZ1 LYS 96 2HZ LYS 96 11.594 2.584 8.363 628 HZ3 LYS 96 1HZ LYS 96 12.585 2.306 9.626 629 H LYS 97 H LYS 97 13.510 -5.310 4.506 630 HA LYS 97 HA LYS 97 15.035 -6.222 6.645 631 HB3 LYS 97 2HB LYS 97 14.854 -7.540 3.928 632 HG3 LYS 97 2HG LYS 97 16.292 -8.596 5.711 633 HD3 LYS 97 2HD LYS 97 13.646 -8.541 7.222 634 HE3 LYS 97 2HE LYS 97 15.092 -10.823 7.100 635 HZ1 LYS 97 2HZ LYS 97 17.007 -9.288 8.067 636 HZ3 LYS 97 1HZ LYS 97 16.868 -10.843 8.533 637 H ALA 98 H ALA 98 15.917 -4.511 3.726 638 HA ALA 98 HA ALA 98 18.732 -5.209 4.192 639 HB1 ALA 98 1HB ALA 98 17.105 -5.016 1.834 640 HB2 ALA 98 2HB ALA 98 18.340 -3.736 1.767 641 HB3 ALA 98 3HB ALA 98 18.830 -5.436 1.961 642 H GLY 99 H GLY 99 16.932 -3.290 5.737 643 HA2 GLY 99 1HA GLY 99 17.070 -1.235 6.634 644 HA3 GLY 99 2HA GLY 99 18.766 -1.264 6.193 645 H LEU 100 H LEU 100 15.724 -1.216 4.200 646 HA LEU 100 HA LEU 100 16.796 1.200 2.917 647 HB3 LEU 100 2HB LEU 100 15.927 0.500 0.863 648 HG LEU 100 HG LEU 100 17.566 -1.430 2.271 649 HD11 LEU 100 1HD1 LEU 100 16.222 -3.231 1.959 650 HD12 LEU 100 2HD1 LEU 100 15.363 -2.501 0.582 651 HD13 LEU 100 3HD1 LEU 100 16.986 -3.198 0.352 652 HD21 LEU 100 3HD2 LEU 100 17.637 -1.291 -0.680 653 HD22 LEU 100 1HD2 LEU 100 17.854 0.257 0.171 654 HD23 LEU 100 2HD2 LEU 100 18.939 -1.110 0.518 655 HA PRO 101 HA PRO 101 13.181 2.938 4.626 656 HB3 PRO 101 2HB PRO 101 14.318 4.797 5.371 657 HG3 PRO 101 2HG PRO 101 16.397 5.099 4.417 658 HD3 PRO 101 2HD PRO 101 16.879 2.939 3.795 659 H VAL 102 H VAL 102 11.116 3.673 4.036 660 HA VAL 102 HA VAL 102 10.602 3.084 1.276 661 HB VAL 102 HB VAL 102 8.268 3.415 1.921 662 HG11 VAL 102 1HG1 VAL 102 9.971 1.396 2.751 663 HG12 VAL 102 2HG1 VAL 102 9.102 1.831 4.242 664 HG13 VAL 102 3HG1 VAL 102 8.193 1.349 2.791 665 HG21 VAL 102 3HG2 VAL 102 8.117 3.671 4.620 666 HG22 VAL 102 1HG2 VAL 102 9.515 4.717 4.274 667 HG23 VAL 102 2HG2 VAL 102 7.953 5.026 3.479 668 H ALA 103 H ALA 103 8.702 4.782 0.389 669 HA ALA 103 HA ALA 103 10.241 7.159 -0.098 670 HB1 ALA 103 1HB ALA 103 7.493 6.253 -1.054 671 HB2 ALA 103 2HB ALA 103 8.403 7.646 -1.687 672 HB3 ALA 103 3HB ALA 103 9.037 5.997 -1.903 673 H VAL 104 H VAL 104 10.252 8.801 1.354 674 HA VAL 104 HA VAL 104 7.840 9.189 2.961 675 HB VAL 104 HB VAL 104 10.422 10.635 3.392 676 HG11 VAL 104 1HG1 VAL 104 7.973 9.979 4.907 677 HG12 VAL 104 2HG1 VAL 104 9.490 9.802 5.825 678 HG13 VAL 104 3HG1 VAL 104 9.089 11.359 5.061 679 HG21 VAL 104 3HG2 VAL 104 10.936 8.575 4.961 680 HG22 VAL 104 1HG2 VAL 104 9.960 7.694 3.761 681 HG23 VAL 104 2HG2 VAL 104 11.425 8.565 3.250 682 H ASN 105 H ASN 105 7.457 11.656 3.491 683 HA ASN 105 HA ASN 105 6.655 12.822 1.138 684 HB3 ASN 105 2HB ASN 105 5.561 13.524 3.152 685 HD21 ASN 105 1HD2 ASN 105 8.372 15.528 3.680 686 HD22 ASN 105 2HD2 ASN 105 8.766 14.988 5.278 687 H LYS 106 H LYS 106 9.770 12.634 2.653 688 HA LYS 106 HA LYS 106 10.804 14.605 0.766 689 HB3 LYS 106 2HB LYS 106 12.155 14.690 3.372 690 HG3 LYS 106 2HG LYS 106 10.861 16.948 1.800 691 HD3 LYS 106 2HD LYS 106 13.587 17.276 2.856 692 HE3 LYS 106 2HE LYS 106 12.049 19.099 4.166 693 HZ1 LYS 106 2HZ LYS 106 12.804 20.528 2.549 694 HZ3 LYS 106 1HZ LYS 106 12.392 19.569 1.298 695 H SER 107 H SER 107 11.898 13.246 -0.579 696 HA SER 107 HA SER 107 13.318 11.045 0.624 697 HB3 SER 107 2HB SER 107 13.082 11.774 -2.326 698 HG SER 107 HG SER 107 13.125 9.104 -1.740 699 H GLN 108 H GLN 108 13.995 13.712 -1.769 700 HA GLN 108 HA GLN 108 16.792 13.485 -1.034 701 HB3 GLN 108 2HB GLN 108 15.781 15.287 -3.237 702 HG3 GLN 108 2HG GLN 108 18.133 13.379 -3.319 703 HE21 GLN 108 1HE2 GLN 108 19.911 15.469 -3.911 704 HE22 GLN 108 2HE2 GLN 108 19.523 16.135 -5.463 Start of MODEL 2 1 H1 ALA 1 H ALA 1 -2.885 -19.210 -4.098 2 HA ALA 1 HA ALA 1 -4.620 -19.516 -1.988 3 HB1 ALA 1 1HB ALA 1 -3.576 -21.648 -1.694 4 HB2 ALA 1 2HB ALA 1 -3.456 -21.274 -3.430 5 HB3 ALA 1 3HB ALA 1 -2.037 -21.068 -2.375 6 H LEU 2 H LEU 2 -4.044 -20.054 0.341 7 HA LEU 2 HA LEU 2 -2.872 -17.850 1.539 8 HB3 LEU 2 2HB LEU 2 -3.345 -18.873 3.541 9 HG LEU 2 HG LEU 2 -5.069 -20.656 1.816 10 HD11 LEU 2 1HD1 LEU 2 -4.974 -19.913 4.633 11 HD12 LEU 2 2HD1 LEU 2 -6.569 -19.611 3.901 12 HD13 LEU 2 3HD1 LEU 2 -5.845 -21.236 3.820 13 HD21 LEU 2 3HD2 LEU 2 -6.045 -17.941 2.561 14 HD22 LEU 2 1HD2 LEU 2 -4.905 -18.069 1.200 15 HD23 LEU 2 2HD2 LEU 2 -6.441 -18.965 1.161 16 H THR 3 H THR 3 -0.830 -17.383 0.629 17 HA THR 3 HA THR 3 1.261 -19.298 1.432 18 HB THR 3 HB THR 3 1.537 -17.450 -0.955 19 HG1 THR 3 1HG THR 3 -0.133 -18.597 -1.840 20 HG21 THR 3 3HG2 THR 3 2.661 -20.093 0.006 21 HG22 THR 3 1HG2 THR 3 2.550 -19.801 -1.747 22 HG23 THR 3 2HG2 THR 3 3.514 -18.712 -0.722 23 H THR 4 H THR 4 3.453 -18.220 1.682 24 HA THR 4 HA THR 4 3.563 -15.441 2.163 25 HB THR 4 HB THR 4 2.067 -16.381 4.096 26 HG1 THR 4 1HG THR 4 4.662 -15.078 4.550 27 HG21 THR 4 3HG2 THR 4 4.786 -17.061 5.287 28 HG22 THR 4 1HG2 THR 4 3.167 -17.451 5.922 29 HG23 THR 4 2HG2 THR 4 3.804 -18.326 4.507 30 H ILE 5 H ILE 5 5.655 -14.752 2.234 31 HA ILE 5 HA ILE 5 7.688 -16.753 2.829 32 HB ILE 5 HB ILE 5 8.948 -16.097 0.801 33 HG13 ILE 5 2HG1 ILE 5 7.872 -13.952 0.344 34 HG21 ILE 5 1HG2 ILE 5 7.727 -18.201 0.896 35 HG22 ILE 5 2HG2 ILE 5 6.249 -17.390 0.324 36 HG23 ILE 5 3HG2 ILE 5 7.669 -17.511 -0.743 37 HD11 ILE 5 3HD1 ILE 5 8.585 -15.894 -1.547 38 HD12 ILE 5 1HD1 ILE 5 6.991 -15.327 -2.101 39 HD13 ILE 5 2HD1 ILE 5 8.319 -14.164 -1.873 40 H SER 6 H SER 6 9.954 -15.272 2.291 41 HA SER 6 HA SER 6 9.537 -13.055 4.126 42 HB3 SER 6 2HB SER 6 12.247 -13.349 4.049 43 HG SER 6 HG SER 6 11.135 -13.503 6.017 44 HA PRO 7 HA PRO 7 10.776 -10.240 1.049 45 HB3 PRO 7 2HB PRO 7 10.274 -8.419 2.366 46 HG3 PRO 7 2HG PRO 7 10.331 -8.828 4.635 47 HD3 PRO 7 2HD PRO 7 9.963 -11.097 4.650 48 H HIS 8 H HIS 8 12.273 -12.297 0.606 49 HA HIS 8 HA HIS 8 14.901 -11.054 0.284 50 HB3 HIS 8 2HB HIS 8 15.221 -13.878 0.520 51 HD1 HIS 8 1HD HIS 8 15.535 -10.638 2.552 52 HD2 HIS 8 2HD HIS 8 17.738 -14.071 1.571 53 HE1 HIS 8 1HE HIS 8 17.861 -10.304 3.550 54 H ASP 9 H ASP 9 12.542 -13.583 -0.763 55 HA ASP 9 HA ASP 9 13.839 -13.510 -3.364 56 HB3 ASP 9 2HB ASP 9 11.644 -15.462 -2.891 57 HD2 ASP 9 HD ASP 9 14.431 -17.628 -3.530 58 H ALA 10 H ALA 10 11.020 -12.611 -1.490 59 HA ALA 10 HA ALA 10 9.148 -12.551 -3.630 60 HB1 ALA 10 1HB ALA 10 9.143 -12.300 -0.817 61 HB2 ALA 10 2HB ALA 10 8.556 -10.739 -1.438 62 HB3 ALA 10 3HB ALA 10 7.737 -12.247 -1.906 63 H GLN 11 H GLN 11 11.681 -10.420 -2.383 64 HA GLN 11 HA GLN 11 10.635 -8.092 -3.584 65 HB3 GLN 11 2HB GLN 11 13.543 -8.565 -2.834 66 HG3 GLN 11 2HG GLN 11 12.891 -6.090 -1.938 67 HE21 GLN 11 1HE2 GLN 11 12.667 -4.686 -4.518 68 HE22 GLN 11 2HE2 GLN 11 14.175 -4.900 -5.341 69 H GLU 12 H GLU 12 11.778 -10.908 -4.948 70 HA GLU 12 HA GLU 12 13.219 -9.562 -7.065 71 HB3 GLU 12 2HB GLU 12 12.828 -12.495 -6.357 72 HG3 GLU 12 2HG GLU 12 13.622 -11.233 -8.916 73 HE2 GLU 12 HE GLU 12 15.854 -13.125 -10.005 74 H LEU 13 H LEU 13 10.394 -11.774 -6.548 75 HA LEU 13 HA LEU 13 9.576 -11.742 -9.234 76 HB3 LEU 13 2HB LEU 13 8.860 -13.518 -7.894 77 HG LEU 13 HG LEU 13 8.618 -11.723 -5.761 78 HD11 LEU 13 1HD1 LEU 13 6.110 -11.809 -6.977 79 HD12 LEU 13 2HD1 LEU 13 5.986 -12.938 -5.607 80 HD13 LEU 13 3HD1 LEU 13 6.488 -11.253 -5.329 81 HD21 LEU 13 3HD2 LEU 13 8.003 -14.652 -6.126 82 HD22 LEU 13 1HD2 LEU 13 9.415 -13.883 -5.361 83 HD23 LEU 13 2HD2 LEU 13 7.833 -13.847 -4.547 84 H ILE 14 H ILE 14 8.924 -9.630 -6.416 85 HA ILE 14 HA ILE 14 6.806 -8.216 -7.576 86 HB ILE 14 HB ILE 14 8.748 -7.710 -5.353 87 HG13 ILE 14 2HG1 ILE 14 6.460 -9.176 -5.472 88 HG21 ILE 14 1HG2 ILE 14 7.024 -5.707 -6.719 89 HG22 ILE 14 2HG2 ILE 14 7.040 -5.698 -4.939 90 HG23 ILE 14 3HG2 ILE 14 8.561 -5.503 -5.843 91 HD11 ILE 14 3HD1 ILE 14 8.208 -8.061 -3.451 92 HD12 ILE 14 1HD1 ILE 14 6.528 -8.010 -2.864 93 HD13 ILE 14 2HD1 ILE 14 7.242 -9.555 -3.383 94 H ALA 15 H ALA 15 10.380 -7.660 -7.536 95 HA ALA 15 HA ALA 15 10.186 -5.277 -9.063 96 HB1 ALA 15 1HB ALA 15 12.309 -7.079 -7.987 97 HB2 ALA 15 2HB ALA 15 12.752 -6.071 -9.385 98 HB3 ALA 15 3HB ALA 15 12.155 -5.309 -7.891 99 H ARG 16 H ARG 16 9.641 -8.548 -9.816 100 HA ARG 16 HA ARG 16 10.703 -8.306 -12.475 101 HB3 ARG 16 2HB ARG 16 9.467 -10.697 -12.562 102 HG3 ARG 16 2HG ARG 16 12.012 -10.037 -11.015 103 HD3 ARG 16 2HD ARG 16 10.589 -12.536 -11.105 104 HE ARG 16 HE ARG 16 12.608 -12.378 -13.183 105 HH11 ARG 16 2HH2 ARG 16 11.297 -14.536 -10.697 106 HH12 ARG 16 1HH2 ARG 16 11.788 -15.981 -11.516 107 HH22 ARG 16 1HH ARG 16 12.941 -15.809 -13.611 108 H GLY 17 H GLY 17 7.721 -7.887 -10.685 109 HA2 GLY 17 1HA GLY 17 6.286 -6.603 -12.588 110 HA3 GLY 17 2HA GLY 17 5.948 -8.289 -12.923 111 H ALA 18 H ALA 18 6.106 -9.324 -10.215 112 HA ALA 18 HA ALA 18 3.557 -9.160 -9.369 113 HB1 ALA 18 1HB ALA 18 4.483 -10.675 -7.993 114 HB2 ALA 18 2HB ALA 18 6.110 -10.042 -8.331 115 HB3 ALA 18 3HB ALA 18 5.136 -9.336 -7.020 116 H LYS 19 H LYS 19 2.259 -7.495 -8.796 117 HA LYS 19 HA LYS 19 3.465 -5.003 -8.010 118 HB3 LYS 19 2HB LYS 19 0.990 -4.313 -7.942 119 HG3 LYS 19 2HG LYS 19 1.192 -5.192 -10.674 120 HD3 LYS 19 2HD LYS 19 0.812 -2.815 -9.261 121 HE3 LYS 19 2HE LYS 19 3.420 -2.664 -10.847 122 HZ1 LYS 19 2HZ LYS 19 3.186 -0.287 -9.873 123 HZ3 LYS 19 1HZ LYS 19 1.590 -0.607 -9.795 124 H LEU 20 H LEU 20 2.782 -3.827 -6.030 125 HA LEU 20 HA LEU 20 2.319 -5.743 -3.851 126 HB3 LEU 20 2HB LEU 20 3.589 -3.147 -3.255 127 HG LEU 20 HG LEU 20 3.330 -5.463 -1.839 128 HD11 LEU 20 1HD1 LEU 20 5.133 -6.290 -3.650 129 HD12 LEU 20 2HD1 LEU 20 6.235 -5.598 -2.435 130 HD13 LEU 20 3HD1 LEU 20 5.089 -6.879 -1.970 131 HD21 LEU 20 3HD2 LEU 20 5.630 -4.335 -0.776 132 HD22 LEU 20 1HD2 LEU 20 4.853 -2.988 -1.642 133 HD23 LEU 20 2HD2 LEU 20 3.951 -3.884 -0.397 134 H ILE 21 H ILE 21 0.481 -5.499 -2.686 135 HA ILE 21 HA ILE 21 -0.821 -2.873 -2.823 136 HB ILE 21 HB ILE 21 -2.154 -5.570 -3.103 137 HG13 ILE 21 2HG1 ILE 21 -2.654 -4.952 -5.360 138 HG21 ILE 21 1HG2 ILE 21 -4.030 -3.667 -3.723 139 HG22 ILE 21 2HG2 ILE 21 -3.902 -4.531 -2.172 140 HG23 ILE 21 3HG2 ILE 21 -3.169 -2.918 -2.357 141 HD11 ILE 21 3HD1 ILE 21 -2.250 -2.860 -6.329 142 HD12 ILE 21 1HD1 ILE 21 -2.701 -2.387 -4.673 143 HD13 ILE 21 2HD1 ILE 21 -0.985 -2.443 -5.147 144 H ASP 22 H ASP 22 -1.847 -2.187 -0.912 145 HA ASP 22 HA ASP 22 -1.630 -4.036 1.314 146 HB3 ASP 22 2HB ASP 22 -0.797 -1.101 1.425 147 HD2 ASP 22 HD ASP 22 1.295 -1.949 3.312 148 H ILE 23 H ILE 23 -3.322 -3.700 2.904 149 HA ILE 23 HA ILE 23 -5.441 -1.928 1.969 150 HB ILE 23 HB ILE 23 -6.849 -3.234 3.529 151 HG13 ILE 23 2HG1 ILE 23 -4.948 -3.869 5.063 152 HG21 ILE 23 1HG2 ILE 23 -5.613 -4.116 1.068 153 HG22 ILE 23 2HG2 ILE 23 -6.059 -5.504 2.088 154 HG23 ILE 23 3HG2 ILE 23 -7.290 -4.302 1.633 155 HD11 ILE 23 3HD1 ILE 23 -7.182 -4.957 5.207 156 HD12 ILE 23 1HD1 ILE 23 -6.675 -6.142 3.978 157 HD13 ILE 23 2HD1 ILE 23 -5.875 -6.111 5.566 158 H ARG 24 H ARG 24 -3.198 -0.599 3.018 159 HA ARG 24 HA ARG 24 -3.727 -0.119 5.778 160 HB3 ARG 24 2HB ARG 24 -1.402 -0.075 4.902 161 HG3 ARG 24 2HG ARG 24 -1.985 2.551 3.523 162 HD3 ARG 24 2HD ARG 24 0.042 2.089 2.352 163 HE ARG 24 HE ARG 24 0.141 1.486 5.222 164 HH11 ARG 24 2HH2 ARG 24 2.068 1.905 2.279 165 HH12 ARG 24 1HH2 ARG 24 3.527 2.270 3.137 166 HH22 ARG 24 1HH ARG 24 3.502 2.301 5.534 167 H ASP 25 H ASP 25 -3.606 2.494 6.323 168 HA ASP 25 HA ASP 25 -5.988 3.490 5.093 169 HB3 ASP 25 2HB ASP 25 -5.309 5.474 6.783 170 HD2 ASP 25 HD ASP 25 -6.483 3.258 9.497 171 H ALA 26 H ALA 26 -5.840 6.144 4.818 172 HA ALA 26 HA ALA 26 -3.688 6.533 2.898 173 HB1 ALA 26 1HB ALA 26 -6.089 6.945 2.299 174 HB2 ALA 26 2HB ALA 26 -6.128 8.246 3.514 175 HB3 ALA 26 3HB ALA 26 -5.054 8.380 2.101 176 H ASP 27 H ASP 27 -5.179 8.098 5.808 177 HA ASP 27 HA ASP 27 -3.586 10.257 5.986 178 HB3 ASP 27 2HB ASP 27 -5.359 8.815 7.683 179 HD2 ASP 27 HD ASP 27 -2.612 9.618 10.458 180 H GLU 28 H GLU 28 -2.838 6.837 6.559 181 HA GLU 28 HA GLU 28 -0.497 7.342 8.070 182 HB3 GLU 28 2HB GLU 28 -2.000 5.210 8.024 183 HG3 GLU 28 2HG GLU 28 -1.480 5.066 5.406 184 HE2 GLU 28 HE GLU 28 1.934 4.038 6.927 185 H TYR 29 H TYR 29 -1.351 7.048 4.645 186 HA TYR 29 HA TYR 29 1.407 6.738 3.834 187 HB3 TYR 29 2HB TYR 29 -1.375 7.016 2.586 188 HD1 TYR 29 1HD TYR 29 2.228 6.752 1.575 189 HD2 TYR 29 2HD TYR 29 -1.779 7.663 0.384 190 HE1 TYR 29 1HE TYR 29 3.068 7.506 -0.702 191 HE2 TYR 29 2HE TYR 29 -0.925 8.415 -1.889 192 HH TYR 29 HH TYR 29 2.336 7.832 -2.872 193 H LEU 30 H LEU 30 -0.462 9.300 4.962 194 HA LEU 30 HA LEU 30 0.143 11.289 3.068 195 HB3 LEU 30 2HB LEU 30 -0.824 11.207 5.891 196 HG LEU 30 HG LEU 30 0.662 13.202 5.826 197 HD11 LEU 30 1HD1 LEU 30 0.813 14.521 4.051 198 HD12 LEU 30 2HD1 LEU 30 -0.336 13.464 3.197 199 HD13 LEU 30 3HD1 LEU 30 -0.932 14.869 4.112 200 HD21 LEU 30 3HD2 LEU 30 -2.088 13.050 6.547 201 HD22 LEU 30 1HD2 LEU 30 -0.799 14.050 7.259 202 HD23 LEU 30 2HD2 LEU 30 -1.775 14.682 5.911 203 H ARG 31 H ARG 31 1.905 9.839 5.801 204 HA ARG 31 HA ARG 31 4.005 11.791 5.343 205 HB3 ARG 31 2HB ARG 31 3.484 9.882 7.675 206 HG3 ARG 31 2HG ARG 31 5.995 10.744 6.854 207 HD3 ARG 31 2HD ARG 31 4.717 13.019 8.051 208 HE ARG 31 HE ARG 31 6.247 11.512 10.010 209 HH11 ARG 31 2HH2 ARG 31 5.543 14.804 8.905 210 HH12 ARG 31 1HH2 ARG 31 5.900 15.527 10.437 211 HH22 ARG 31 1HH ARG 31 6.589 14.134 12.261 212 H GLU 32 H GLU 32 3.993 8.368 6.572 213 HA GLU 32 HA GLU 32 6.344 7.844 5.055 214 HB3 GLU 32 2HB GLU 32 5.877 6.941 7.381 215 HG3 GLU 32 2HG GLU 32 4.406 4.619 6.288 216 HE2 GLU 32 HE GLU 32 3.738 7.275 8.722 217 H HIS 33 H HIS 33 6.356 5.519 3.874 218 HA HIS 33 HA HIS 33 3.869 5.126 2.437 219 HB3 HIS 33 2HB HIS 33 6.422 5.460 0.870 220 HD1 HIS 33 1HD HIS 33 2.991 4.317 0.846 221 HD2 HIS 33 2HD HIS 33 5.452 6.410 -1.829 222 HE1 HIS 33 1HE HIS 33 1.893 4.110 -1.447 223 H ILE 34 H ILE 34 5.811 3.590 0.454 224 HA ILE 34 HA ILE 34 6.842 1.513 2.131 225 HB ILE 34 HB ILE 34 4.141 1.349 1.444 226 HG13 ILE 34 2HG1 ILE 34 4.689 0.229 3.350 227 HG21 ILE 34 1HG2 ILE 34 5.776 -0.561 -0.248 228 HG22 ILE 34 2HG2 ILE 34 4.018 -0.645 0.014 229 HG23 ILE 34 3HG2 ILE 34 4.725 0.746 -0.842 230 HD11 ILE 34 3HD1 ILE 34 5.032 -2.036 1.332 231 HD12 ILE 34 1HD1 ILE 34 4.513 -2.189 3.028 232 HD13 ILE 34 2HD1 ILE 34 3.459 -1.379 1.844 233 HA PRO 35 HA PRO 35 9.245 0.928 -1.405 234 HB3 PRO 35 2HB PRO 35 10.689 -0.504 -0.326 235 HG3 PRO 35 2HG PRO 35 9.774 -1.618 1.474 236 HD3 PRO 35 2HD PRO 35 8.073 -0.172 2.027 237 H GLU 36 H GLU 36 7.510 1.560 -2.848 238 HA GLU 36 HA GLU 36 6.386 1.243 -4.678 239 HB3 GLU 36 2HB GLU 36 7.912 -1.390 -4.763 240 HG3 GLU 36 2HG GLU 36 6.351 -0.111 -7.047 241 HE2 GLU 36 HE GLU 36 8.145 -0.607 -8.264 242 H ALA 37 H ALA 37 4.225 1.199 -4.174 243 HA ALA 37 HA ALA 37 2.870 -1.273 -4.147 244 HB1 ALA 37 1HB ALA 37 3.832 -1.289 -1.829 245 HB2 ALA 37 2HB ALA 37 2.946 0.218 -1.494 246 HB3 ALA 37 3HB ALA 37 2.053 -1.276 -1.857 247 H ASP 38 H ASP 38 0.444 -0.587 -3.068 248 HA ASP 38 HA ASP 38 -0.155 2.099 -3.852 249 HB3 ASP 38 2HB ASP 38 -2.144 0.512 -5.160 250 HD2 ASP 38 HD ASP 38 -2.394 2.786 -5.635 251 H LEU 39 H LEU 39 -1.641 2.791 -2.302 252 HA LEU 39 HA LEU 39 -2.674 1.095 -0.378 253 HB3 LEU 39 2HB LEU 39 -2.332 3.654 -0.432 254 HG LEU 39 HG LEU 39 -4.464 3.660 -2.194 255 HD11 LEU 39 1HD1 LEU 39 -6.385 4.556 -1.051 256 HD12 LEU 39 2HD1 LEU 39 -5.972 2.978 -0.339 257 HD13 LEU 39 3HD1 LEU 39 -5.545 4.480 0.516 258 HD21 LEU 39 3HD2 LEU 39 -4.101 6.068 -0.488 259 HD22 LEU 39 1HD2 LEU 39 -2.661 5.435 -1.321 260 HD23 LEU 39 2HD2 LEU 39 -4.102 5.897 -2.259 261 H ALA 40 H ALA 40 -4.549 -0.085 -0.144 262 HA ALA 40 HA ALA 40 -6.816 0.312 -1.760 263 HB1 ALA 40 1HB ALA 40 -6.684 -1.458 -3.311 264 HB2 ALA 40 2HB ALA 40 -5.064 -0.721 -3.377 265 HB3 ALA 40 3HB ALA 40 -5.321 -2.225 -2.460 266 HA PRO 41 HA PRO 41 -7.438 -1.960 2.047 267 HB3 PRO 41 2HB PRO 41 -7.911 -0.138 3.372 268 HG3 PRO 41 2HG PRO 41 -8.210 1.838 2.222 269 HD3 PRO 41 2HD PRO 41 -7.017 1.383 0.311 270 H LEU 42 H LEU 42 -8.939 -3.545 2.727 271 HA LEU 42 HA LEU 42 -10.102 -4.954 0.786 272 HB3 LEU 42 2HB LEU 42 -9.917 -5.748 3.034 273 HG LEU 42 HG LEU 42 -11.717 -3.494 3.725 274 HD11 LEU 42 1HD1 LEU 42 -12.156 -6.295 4.743 275 HD12 LEU 42 2HD1 LEU 42 -12.533 -4.871 5.744 276 HD13 LEU 42 3HD1 LEU 42 -13.347 -5.099 4.177 277 HD21 LEU 42 3HD2 LEU 42 -10.418 -4.414 5.996 278 HD22 LEU 42 1HD2 LEU 42 -9.264 -4.743 4.681 279 HD23 LEU 42 2HD2 LEU 42 -9.887 -3.094 4.927 280 H SER 43 H SER 43 -11.444 -2.023 2.356 281 HA SER 43 HA SER 43 -13.993 -2.177 1.417 282 HB3 SER 43 2HB SER 43 -12.886 0.551 1.274 283 HG SER 43 HG SER 43 -15.144 -0.441 1.945 284 H VAL 44 H VAL 44 -11.240 -0.330 -0.104 285 HA VAL 44 HA VAL 44 -12.683 0.074 -2.510 286 HB VAL 44 HB VAL 44 -9.724 0.312 -1.923 287 HG11 VAL 44 1HG1 VAL 44 -10.042 0.349 -4.284 288 HG12 VAL 44 2HG1 VAL 44 -11.472 1.400 -4.147 289 HG13 VAL 44 3HG1 VAL 44 -9.856 2.044 -3.772 290 HG21 VAL 44 3HG2 VAL 44 -11.012 2.850 -1.985 291 HG22 VAL 44 1HG2 VAL 44 -11.946 1.802 -0.890 292 HG23 VAL 44 2HG2 VAL 44 -10.205 2.051 -0.614 293 H LEU 45 H LEU 45 -10.316 -2.333 -1.307 294 HA LEU 45 HA LEU 45 -9.812 -3.513 -3.806 295 HB3 LEU 45 2HB LEU 45 -9.283 -5.510 -2.140 296 HG LEU 45 HG LEU 45 -7.637 -2.970 -2.028 297 HD11 LEU 45 1HD1 LEU 45 -6.703 -5.831 -1.739 298 HD12 LEU 45 2HD1 LEU 45 -5.793 -4.334 -1.427 299 HD13 LEU 45 3HD1 LEU 45 -7.139 -4.795 -0.358 300 HD21 LEU 45 3HD2 LEU 45 -7.241 -3.196 -4.198 301 HD22 LEU 45 1HD2 LEU 45 -6.519 -4.790 -3.870 302 HD23 LEU 45 2HD2 LEU 45 -8.248 -4.661 -4.272 303 H GLU 46 H GLU 46 -12.599 -3.466 -1.751 304 HA GLU 46 HA GLU 46 -13.562 -5.946 -2.892 305 HB3 GLU 46 2HB GLU 46 -15.582 -5.296 -1.296 306 HG3 GLU 46 2HG GLU 46 -13.455 -5.886 0.557 307 HE2 GLU 46 HE GLU 46 -16.007 -6.535 1.331 308 H GLN 47 H GLN 47 -14.346 -2.425 -2.669 309 HA GLN 47 HA GLN 47 -16.604 -2.703 -4.349 310 HB3 GLN 47 2HB GLN 47 -15.538 0.008 -4.244 311 HG3 GLN 47 2HG GLN 47 -17.780 -0.647 -2.455 312 HE21 GLN 47 1HE2 GLN 47 -18.625 1.261 -2.197 313 HE22 GLN 47 2HE2 GLN 47 -18.771 2.522 -3.376 314 H SER 48 H SER 48 -13.152 -2.345 -4.808 315 HA SER 48 HA SER 48 -13.594 -1.522 -7.557 316 HB3 SER 48 2HB SER 48 -10.878 -1.804 -6.240 317 HG SER 48 HG SER 48 -10.726 0.267 -7.653 318 H GLY 49 H GLY 49 -11.606 -3.868 -5.602 319 HA2 GLY 49 1HA GLY 49 -11.311 -6.102 -5.974 320 HA3 GLY 49 2HA GLY 49 -12.222 -5.993 -7.468 321 H LEU 50 H LEU 50 -9.795 -7.465 -7.277 322 HA LEU 50 HA LEU 50 -7.446 -6.316 -7.806 323 HB3 LEU 50 2HB LEU 50 -8.394 -8.559 -9.557 324 HG LEU 50 HG LEU 50 -6.248 -9.605 -8.724 325 HD11 LEU 50 1HD1 LEU 50 -6.741 -7.987 -10.879 326 HD12 LEU 50 2HD1 LEU 50 -5.309 -7.215 -10.153 327 HD13 LEU 50 3HD1 LEU 50 -5.255 -8.933 -10.615 328 HD21 LEU 50 3HD2 LEU 50 -5.507 -6.792 -7.897 329 HD22 LEU 50 1HD2 LEU 50 -6.036 -8.049 -6.753 330 HD23 LEU 50 2HD2 LEU 50 -4.554 -8.284 -7.711 331 HA PRO 51 HA PRO 51 -8.609 -3.827 -11.271 332 HB3 PRO 51 2HB PRO 51 -8.297 -1.827 -10.174 333 HG3 PRO 51 2HG PRO 51 -7.200 -1.999 -8.152 334 HD3 PRO 51 2HD PRO 51 -7.672 -4.184 -7.616 335 H ALA 52 H ALA 52 -7.807 -3.410 -13.378 336 HA ALA 52 HA ALA 52 -5.892 -5.370 -14.107 337 HB1 ALA 52 1HB ALA 52 -6.165 -3.725 -16.290 338 HB2 ALA 52 2HB ALA 52 -7.276 -5.053 -15.882 339 HB3 ALA 52 3HB ALA 52 -7.668 -3.384 -15.402 340 H LYS 53 H LYS 53 -5.866 -1.814 -13.570 341 HA LYS 53 HA LYS 53 -3.390 -1.260 -14.650 342 HB3 LYS 53 2HB LYS 53 -5.154 0.352 -13.825 343 HG3 LYS 53 2HG LYS 53 -3.830 0.584 -11.199 344 HD3 LYS 53 2HD LYS 53 -6.387 0.510 -10.567 345 HE3 LYS 53 2HE LYS 53 -4.762 2.574 -11.039 346 HZ1 LYS 53 2HZ LYS 53 -5.644 3.906 -12.867 347 HZ3 LYS 53 1HZ LYS 53 -6.688 2.731 -13.297 348 H LEU 54 H LEU 54 -4.267 -3.097 -11.796 349 HA LEU 54 HA LEU 54 -1.409 -3.347 -11.204 350 HB3 LEU 54 2HB LEU 54 -1.906 -3.402 -8.824 351 HG LEU 54 HG LEU 54 -2.528 -0.965 -10.394 352 HD11 LEU 54 1HD1 LEU 54 -4.332 -0.575 -9.015 353 HD12 LEU 54 2HD1 LEU 54 -3.599 -1.415 -7.628 354 HD13 LEU 54 3HD1 LEU 54 -3.015 0.198 -8.102 355 HD21 LEU 54 3HD2 LEU 54 -0.611 -1.811 -8.246 356 HD22 LEU 54 1HD2 LEU 54 -0.292 -1.124 -9.856 357 HD23 LEU 54 2HD2 LEU 54 -0.904 -0.081 -8.551 358 H ARG 55 H ARG 55 -2.901 -4.976 -12.987 359 HA ARG 55 HA ARG 55 -3.378 -7.323 -11.342 360 HB3 ARG 55 2HB ARG 55 -4.273 -6.618 -14.181 361 HG3 ARG 55 2HG ARG 55 -5.005 -9.120 -12.602 362 HD3 ARG 55 2HD ARG 55 -5.333 -8.289 -15.526 363 HE ARG 55 HE ARG 55 -5.404 -10.931 -14.302 364 HH11 ARG 55 2HH2 ARG 55 -6.887 -8.927 -16.820 365 HH12 ARG 55 1HH2 ARG 55 -7.387 -10.281 -17.776 366 HH22 ARG 55 1HH ARG 55 -6.894 -12.500 -17.019 367 H HIS 56 H HIS 56 -2.122 -9.196 -11.653 368 HA HIS 56 HA HIS 56 -0.442 -9.343 -13.994 369 HB3 HIS 56 2HB HIS 56 1.279 -9.934 -11.804 370 HD1 HIS 56 1HD HIS 56 3.271 -9.937 -13.327 371 HD2 HIS 56 2HD HIS 56 0.910 -6.503 -13.804 372 HE1 HIS 56 1HE HIS 56 4.529 -8.428 -14.955 373 H GLU 57 H GLU 57 1.215 -11.478 -13.030 374 HA GLU 57 HA GLU 57 -0.794 -13.524 -13.028 375 HB3 GLU 57 2HB GLU 57 1.789 -14.698 -12.866 376 HG3 GLU 57 2HG GLU 57 -0.177 -15.367 -14.320 377 HE2 GLU 57 HE GLU 57 -1.707 -14.210 -15.206 378 H GLN 58 H GLN 58 1.605 -12.056 -10.846 379 HA GLN 58 HA GLN 58 0.439 -13.620 -8.713 380 HB3 GLN 58 2HB GLN 58 2.365 -14.955 -9.102 381 HG3 GLN 58 2HG GLN 58 4.268 -12.618 -9.019 382 HE21 GLN 58 1HE2 GLN 58 5.351 -13.422 -11.540 383 HE22 GLN 58 2HE2 GLN 58 6.141 -14.949 -11.337 384 H ILE 59 H ILE 59 -0.351 -12.114 -7.311 385 HA ILE 59 HA ILE 59 1.207 -9.642 -7.020 386 HB ILE 59 HB ILE 59 -0.898 -8.577 -6.380 387 HG13 ILE 59 2HG1 ILE 59 -1.857 -11.336 -6.362 388 HG21 ILE 59 1HG2 ILE 59 -0.017 -9.209 -8.908 389 HG22 ILE 59 2HG2 ILE 59 -1.723 -9.710 -8.954 390 HG23 ILE 59 3HG2 ILE 59 -1.298 -8.040 -8.511 391 HD11 ILE 59 3HD1 ILE 59 -3.717 -9.276 -5.476 392 HD12 ILE 59 1HD1 ILE 59 -2.865 -10.506 -4.512 393 HD13 ILE 59 2HD1 ILE 59 -2.082 -8.944 -4.854 394 H ILE 60 H ILE 60 1.401 -8.741 -4.859 395 HA ILE 60 HA ILE 60 1.164 -10.843 -2.821 396 HB ILE 60 HB ILE 60 3.458 -10.191 -3.434 397 HG13 ILE 60 2HG1 ILE 60 2.800 -11.014 -1.152 398 HG21 ILE 60 1HG2 ILE 60 2.606 -7.693 -3.770 399 HG22 ILE 60 2HG2 ILE 60 3.168 -7.549 -2.087 400 HG23 ILE 60 3HG2 ILE 60 4.294 -8.078 -3.360 401 HD11 ILE 60 3HD1 ILE 60 5.227 -9.772 -2.031 402 HD12 ILE 60 1HD1 ILE 60 4.971 -9.294 -0.335 403 HD13 ILE 60 2HD1 ILE 60 5.030 -11.017 -0.774 404 H PHE 61 H PHE 61 0.800 -9.975 -0.550 405 HA PHE 61 HA PHE 61 -0.757 -7.501 -0.613 406 HB3 PHE 61 2HB PHE 61 -1.998 -9.290 1.219 407 HD1 PHE 61 1HD PHE 61 -2.197 -9.216 -2.515 408 HD2 PHE 61 2HD PHE 61 -4.085 -8.321 1.179 409 HE1 PHE 61 1HE PHE 61 -4.238 -8.431 -3.748 410 HE2 PHE 61 2HE PHE 61 -6.125 -7.535 -0.054 411 HZ PHE 61 HZ PHE 61 -6.177 -7.600 -2.502 412 H HIS 62 H HIS 62 -0.961 -6.443 1.485 413 HA HIS 62 HA HIS 62 0.615 -7.575 3.625 414 HB3 HIS 62 2HB HIS 62 1.661 -5.106 3.741 415 HD1 HIS 62 1HD HIS 62 3.203 -7.031 4.864 416 HD2 HIS 62 2HD HIS 62 3.349 -6.734 0.682 417 HE1 HIS 62 1HE HIS 62 5.295 -8.294 4.129 418 H CYS 63 H CYS 63 -0.911 -7.577 5.208 419 HA CYS 63 HA CYS 63 -3.155 -6.057 5.288 420 HB3 CYS 63 2HB CYS 63 -1.985 -6.622 7.947 421 HG CYS 63 HG CYS 63 -4.307 -8.473 7.504 422 H GLN 64 H GLN 64 -0.311 -5.493 7.494 423 HA GLN 64 HA GLN 64 -0.187 -2.764 6.769 424 HB3 GLN 64 2HB GLN 64 -0.640 -2.549 9.576 425 HG3 GLN 64 2HG GLN 64 -2.574 -1.801 7.341 426 HE21 GLN 64 1HE2 GLN 64 -4.311 -1.536 8.607 427 HE22 GLN 64 2HE2 GLN 64 -4.418 -0.454 9.955 428 H ALA 65 H ALA 65 0.486 -5.201 9.371 429 HA ALA 65 HA ALA 65 3.308 -4.747 9.018 430 HB1 ALA 65 1HB ALA 65 2.404 -2.980 10.671 431 HB2 ALA 65 2HB ALA 65 2.139 -4.341 11.786 432 HB3 ALA 65 3HB ALA 65 3.781 -3.971 11.207 433 H GLY 66 H GLY 66 2.194 -6.984 8.209 434 HA2 GLY 66 1HA GLY 66 2.073 -9.212 8.480 435 HA3 GLY 66 2HA GLY 66 3.324 -9.018 9.692 436 H LYS 67 H LYS 67 1.644 -11.061 10.185 437 HA LYS 67 HA LYS 67 0.334 -11.928 11.735 438 HB3 LYS 67 2HB LYS 67 -0.127 -10.612 13.819 439 HG3 LYS 67 2HG LYS 67 2.345 -11.584 12.786 440 HD3 LYS 67 2HD LYS 67 2.986 -9.101 12.742 441 HE3 LYS 67 2HE LYS 67 2.193 -9.445 15.616 442 HZ1 LYS 67 2HZ LYS 67 4.590 -7.931 14.740 443 HZ3 LYS 67 1HZ LYS 67 4.526 -9.072 15.900 444 H ARG 68 H ARG 68 -1.949 -11.999 12.478 445 HA ARG 68 HA ARG 68 -4.067 -11.803 12.103 446 HB3 ARG 68 2HB ARG 68 -4.927 -9.380 11.509 447 HG3 ARG 68 2HG ARG 68 -4.346 -8.568 13.835 448 HD3 ARG 68 2HD ARG 68 -5.753 -11.003 13.097 449 HE ARG 68 HE ARG 68 -3.914 -11.683 15.000 450 HH11 ARG 68 2HH2 ARG 68 -7.405 -11.122 15.225 451 HH12 ARG 68 1HH2 ARG 68 -7.621 -12.216 16.550 452 HH22 ARG 68 1HH ARG 68 -5.722 -13.383 17.430 453 H THR 69 H THR 69 -2.378 -12.665 9.900 454 HA THR 69 HA THR 69 -3.715 -11.495 7.563 455 HB THR 69 HB THR 69 -1.821 -12.484 6.324 456 HG1 THR 69 1HG THR 69 -0.854 -13.343 8.932 457 HG21 THR 69 3HG2 THR 69 -1.090 -11.038 8.907 458 HG22 THR 69 1HG2 THR 69 0.167 -11.580 7.770 459 HG23 THR 69 2HG2 THR 69 -1.060 -10.404 7.244 460 H SER 70 H SER 70 -2.550 -14.800 8.506 461 HA SER 70 HA SER 70 -4.082 -16.213 6.860 462 HB3 SER 70 2HB SER 70 -3.843 -17.098 9.747 463 HG SER 70 HG SER 70 -2.852 -18.901 8.079 464 H ASN 71 H ASN 71 -5.142 -14.361 9.677 465 HA ASN 71 HA ASN 71 -7.411 -15.534 10.430 466 HB3 ASN 71 2HB ASN 71 -7.457 -12.556 9.819 467 HD21 ASN 71 1HD2 ASN 71 -7.035 -14.057 12.923 468 HD22 ASN 71 2HD2 ASN 71 -8.648 -13.862 13.525 469 H ASN 72 H ASN 72 -6.944 -13.288 7.605 470 HA ASN 72 HA ASN 72 -9.264 -14.530 6.391 471 HB3 ASN 72 2HB ASN 72 -10.290 -12.519 7.159 472 HD21 ASN 72 1HD2 ASN 72 -9.991 -10.854 8.415 473 HD22 ASN 72 2HD2 ASN 72 -8.634 -9.778 8.434 474 H ALA 73 H ALA 73 -6.708 -15.272 5.732 475 HA ALA 73 HA ALA 73 -5.613 -13.539 3.714 476 HB1 ALA 73 1HB ALA 73 -4.112 -14.793 5.151 477 HB2 ALA 73 2HB ALA 73 -4.904 -16.326 4.711 478 HB3 ALA 73 3HB ALA 73 -3.967 -15.428 3.493 479 H ASP 74 H ASP 74 -7.970 -16.108 3.957 480 HA ASP 74 HA ASP 74 -7.653 -16.998 1.291 481 HB3 ASP 74 2HB ASP 74 -10.307 -17.388 2.551 482 HD2 ASP 74 HD ASP 74 -9.214 -19.365 -0.065 483 H LYS 75 H LYS 75 -10.215 -15.137 3.112 484 HA LYS 75 HA LYS 75 -11.861 -14.495 1.055 485 HB3 LYS 75 2HB LYS 75 -11.505 -12.230 2.842 486 HG3 LYS 75 2HG LYS 75 -13.799 -13.441 3.618 487 HD3 LYS 75 2HD LYS 75 -13.795 -12.277 0.829 488 HE3 LYS 75 2HE LYS 75 -15.575 -10.817 2.128 489 HZ1 LYS 75 2HZ LYS 75 -16.677 -12.194 0.724 490 HZ3 LYS 75 1HZ LYS 75 -16.989 -13.112 2.034 491 H LEU 76 H LEU 76 -8.889 -12.699 2.101 492 HA LEU 76 HA LEU 76 -9.109 -10.769 0.064 493 HB3 LEU 76 2HB LEU 76 -6.779 -10.243 0.673 494 HG LEU 76 HG LEU 76 -8.582 -10.730 3.059 495 HD11 LEU 76 1HD1 LEU 76 -6.677 -10.425 4.224 496 HD12 LEU 76 2HD1 LEU 76 -5.830 -9.658 2.859 497 HD13 LEU 76 3HD1 LEU 76 -6.969 -8.711 3.846 498 HD21 LEU 76 3HD2 LEU 76 -8.339 -7.985 2.503 499 HD22 LEU 76 1HD2 LEU 76 -8.615 -8.779 0.935 500 HD23 LEU 76 2HD2 LEU 76 -9.764 -9.025 2.272 501 H ALA 77 H ALA 77 -7.420 -13.938 0.334 502 HA ALA 77 HA ALA 77 -6.059 -13.709 -2.117 503 HB1 ALA 77 1HB ALA 77 -5.220 -15.292 -0.595 504 HB2 ALA 77 2HB ALA 77 -6.833 -15.968 -0.261 505 HB3 ALA 77 3HB ALA 77 -6.033 -16.298 -1.817 506 H ALA 78 H ALA 78 -9.389 -13.984 -1.374 507 HA ALA 78 HA ALA 78 -9.962 -15.358 -3.893 508 HB1 ALA 78 1HB ALA 78 -12.309 -14.661 -2.385 509 HB2 ALA 78 2HB ALA 78 -11.634 -16.276 -2.711 510 HB3 ALA 78 3HB ALA 78 -11.109 -15.366 -1.275 511 H ILE 79 H ILE 79 -9.639 -12.227 -2.472 512 HA ILE 79 HA ILE 79 -11.616 -10.966 -4.128 513 HB ILE 79 HB ILE 79 -9.764 -10.216 -1.970 514 HG13 ILE 79 2HG1 ILE 79 -12.253 -10.580 -1.783 515 HG21 ILE 79 1HG2 ILE 79 -8.818 -8.720 -3.545 516 HG22 ILE 79 2HG2 ILE 79 -10.411 -8.293 -4.212 517 HG23 ILE 79 3HG2 ILE 79 -9.964 -7.769 -2.571 518 HD11 ILE 79 3HD1 ILE 79 -12.595 -8.680 -0.280 519 HD12 ILE 79 1HD1 ILE 79 -10.913 -9.238 -0.124 520 HD13 ILE 79 2HD1 ILE 79 -11.281 -7.776 -1.070 521 H ALA 80 H ALA 80 -8.453 -12.227 -4.558 522 HA ALA 80 HA ALA 80 -8.266 -10.759 -7.080 523 HB1 ALA 80 1HB ALA 80 -6.759 -9.555 -5.660 524 HB2 ALA 80 2HB ALA 80 -6.109 -11.057 -4.962 525 HB3 ALA 80 3HB ALA 80 -5.755 -10.637 -6.655 526 H ALA 81 H ALA 81 -9.425 -13.270 -6.803 527 HA ALA 81 HA ALA 81 -7.271 -15.125 -7.522 528 HB1 ALA 81 1HB ALA 81 -9.583 -15.318 -5.861 529 HB2 ALA 81 2HB ALA 81 -9.856 -16.369 -7.273 530 HB3 ALA 81 3HB ALA 81 -8.408 -16.594 -6.262 531 HA PRO 82 HA PRO 82 -7.962 -17.242 -8.173 532 HB3 PRO 82 2HB PRO 82 -8.495 -18.972 -9.595 533 HG3 PRO 82 2HG PRO 82 -9.094 -18.321 -11.724 534 HD3 PRO 82 2HD PRO 82 -9.804 -16.174 -11.309 535 H ALA 83 H ALA 83 -6.590 -14.770 -9.748 536 HA ALA 83 HA ALA 83 -3.993 -15.211 -10.102 537 HB1 ALA 83 1HB ALA 83 -5.672 -12.984 -9.272 538 HB2 ALA 83 2HB ALA 83 -4.056 -12.868 -8.534 539 HB3 ALA 83 3HB ALA 83 -4.220 -12.982 -10.302 540 H GLU 84 H GLU 84 -2.054 -15.309 -8.838 541 HA GLU 84 HA GLU 84 -2.441 -16.730 -6.424 542 HB3 GLU 84 2HB GLU 84 0.202 -16.429 -6.425 543 HG3 GLU 84 2HG GLU 84 -0.705 -17.928 -8.849 544 HE2 GLU 84 HE GLU 84 1.256 -20.458 -6.926 545 H ILE 85 H ILE 85 -2.662 -15.889 -4.398 546 HA ILE 85 HA ILE 85 -1.685 -13.145 -4.010 547 HB ILE 85 HB ILE 85 -3.883 -14.404 -2.402 548 HG13 ILE 85 2HG1 ILE 85 -5.483 -13.237 -3.974 549 HG21 ILE 85 1HG2 ILE 85 -4.524 -11.855 -2.463 550 HG22 ILE 85 2HG2 ILE 85 -3.269 -12.457 -1.354 551 HG23 ILE 85 3HG2 ILE 85 -2.805 -11.651 -2.872 552 HD11 ILE 85 3HD1 ILE 85 -3.738 -13.607 -6.288 553 HD12 ILE 85 1HD1 ILE 85 -4.734 -12.200 -5.844 554 HD13 ILE 85 2HD1 ILE 85 -3.085 -12.366 -5.192 555 H PHE 86 H PHE 86 -0.737 -12.642 -1.920 556 HA PHE 86 HA PHE 86 -0.316 -14.597 0.030 557 HB3 PHE 86 2HB PHE 86 1.129 -15.640 -1.690 558 HD1 PHE 86 1HD PHE 86 0.783 -14.428 -3.866 559 HD2 PHE 86 2HD PHE 86 3.699 -13.207 -1.035 560 HE1 PHE 86 1HE PHE 86 1.962 -13.112 -5.648 561 HE2 PHE 86 2HE PHE 86 4.878 -11.891 -2.818 562 HZ PHE 86 HZ PHE 86 3.995 -11.858 -5.103 563 H LEU 87 H LEU 87 1.125 -13.811 1.777 564 HA LEU 87 HA LEU 87 1.796 -10.974 1.476 565 HB3 LEU 87 2HB LEU 87 -0.159 -10.735 2.636 566 HG LEU 87 HG LEU 87 -0.830 -12.087 4.624 567 HD11 LEU 87 1HD1 LEU 87 -2.099 -13.499 3.371 568 HD12 LEU 87 2HD1 LEU 87 -1.489 -12.448 2.070 569 HD13 LEU 87 3HD1 LEU 87 -0.729 -14.030 2.367 570 HD21 LEU 87 3HD2 LEU 87 1.556 -13.018 4.908 571 HD22 LEU 87 1HD2 LEU 87 0.178 -14.102 5.218 572 HD23 LEU 87 2HD2 LEU 87 1.076 -14.220 3.685 573 H LEU 88 H LEU 88 3.455 -10.242 3.061 574 HA LEU 88 HA LEU 88 5.300 -12.451 3.564 575 HB3 LEU 88 2HB LEU 88 6.566 -9.996 4.034 576 HG LEU 88 HG LEU 88 7.766 -11.751 2.946 577 HD11 LEU 88 1HD1 LEU 88 6.568 -13.132 1.660 578 HD12 LEU 88 2HD1 LEU 88 5.396 -11.866 1.219 579 HD13 LEU 88 3HD1 LEU 88 6.939 -11.995 0.341 580 HD21 LEU 88 3HD2 LEU 88 8.971 -10.105 2.067 581 HD22 LEU 88 1HD2 LEU 88 8.046 -10.325 0.563 582 HD23 LEU 88 2HD2 LEU 88 7.525 -9.114 1.760 583 H GLU 89 H GLU 89 5.385 -13.283 5.573 584 HA GLU 89 HA GLU 89 3.939 -12.491 7.661 585 HB3 GLU 89 2HB GLU 89 6.757 -13.564 8.045 586 HG3 GLU 89 2HG GLU 89 4.516 -14.897 9.388 587 HE2 GLU 89 HE GLU 89 5.270 -14.894 11.823 588 H ASP 90 H ASP 90 7.512 -11.793 7.528 589 HA ASP 90 HA ASP 90 7.406 -9.928 9.549 590 HB3 ASP 90 2HB ASP 90 9.623 -9.120 8.445 591 HD2 ASP 90 HD ASP 90 10.540 -11.443 10.884 592 H GLY 91 H GLY 91 7.832 -9.433 5.953 593 HA2 GLY 91 1HA GLY 91 7.165 -7.784 4.577 594 HA3 GLY 91 2HA GLY 91 5.946 -7.348 5.760 595 H ILE 92 H ILE 92 6.128 -5.370 6.728 596 HA ILE 92 HA ILE 92 8.079 -3.573 6.051 597 HB ILE 92 HB ILE 92 6.188 -3.745 8.381 598 HG13 ILE 92 2HG1 ILE 92 4.841 -2.244 7.173 599 HG21 ILE 92 1HG2 ILE 92 6.703 -1.413 8.905 600 HG22 ILE 92 2HG2 ILE 92 8.124 -2.461 9.137 601 HG23 ILE 92 3HG2 ILE 92 8.009 -1.422 7.695 602 HD11 ILE 92 3HD1 ILE 92 7.372 -1.726 5.597 603 HD12 ILE 92 1HD1 ILE 92 5.786 -1.452 4.834 604 HD13 ILE 92 2HD1 ILE 92 6.231 -0.558 6.307 605 H ASP 93 H ASP 93 7.872 -5.649 9.015 606 HA ASP 93 HA ASP 93 10.117 -4.709 10.233 607 HB3 ASP 93 2HB ASP 93 10.061 -7.527 10.674 608 HD2 ASP 93 HD ASP 93 8.127 -5.231 13.314 609 H GLY 94 H GLY 94 9.665 -7.146 7.622 610 HA2 GLY 94 1HA GLY 94 12.359 -8.087 7.612 611 HA3 GLY 94 2HA GLY 94 11.125 -8.359 6.398 612 H TRP 95 H TRP 95 10.440 -5.780 5.560 613 HA TRP 95 HA TRP 95 12.365 -5.205 3.701 614 HB3 TRP 95 2HB TRP 95 10.227 -3.446 4.909 615 HD1 TRP 95 HD TRP 95 10.523 -0.943 4.258 616 HE1 TRP 95 1HE TRP 95 11.589 0.494 2.317 617 HE3 TRP 95 3HE TRP 95 12.280 -4.895 1.585 618 HZ2 TRP 95 2HZ TRP 95 13.014 -0.169 -0.064 619 HZ3 TRP 95 3HZ TRP 95 13.497 -4.413 -0.537 620 HH2 TRP 95 HH TRP 95 13.875 -2.147 -1.370 621 H LYS 96 H LYS 96 11.842 -3.843 7.010 622 HA LYS 96 HA LYS 96 14.052 -2.052 6.762 623 HB3 LYS 96 2HB LYS 96 12.661 -2.881 9.314 624 HG3 LYS 96 2HG LYS 96 14.174 -0.437 8.314 625 HD3 LYS 96 2HD LYS 96 12.153 -0.680 10.570 626 HE3 LYS 96 2HE LYS 96 13.476 1.823 10.772 627 HZ1 LYS 96 2HZ LYS 96 12.670 0.827 12.711 628 HZ3 LYS 96 1HZ LYS 96 14.274 0.646 12.913 629 H LYS 97 H LYS 97 13.538 -5.408 7.705 630 HA LYS 97 HA LYS 97 15.698 -5.793 9.376 631 HB3 LYS 97 2HB LYS 97 14.677 -7.783 7.338 632 HG3 LYS 97 2HG LYS 97 15.309 -8.474 10.176 633 HD3 LYS 97 2HD LYS 97 16.003 -9.728 7.477 634 HE3 LYS 97 2HE LYS 97 16.243 -10.767 10.340 635 HZ1 LYS 97 2HZ LYS 97 16.167 -12.819 9.460 636 HZ3 LYS 97 1HZ LYS 97 17.251 -12.461 8.300 637 H ALA 98 H ALA 98 15.599 -4.941 6.004 638 HA ALA 98 HA ALA 98 18.425 -5.701 5.743 639 HB1 ALA 98 1HB ALA 98 16.084 -5.743 3.938 640 HB2 ALA 98 2HB ALA 98 17.549 -5.034 3.218 641 HB3 ALA 98 3HB ALA 98 17.593 -6.686 3.878 642 H GLY 99 H GLY 99 17.179 -3.329 7.188 643 HA2 GLY 99 1HA GLY 99 17.510 -1.114 7.380 644 HA3 GLY 99 2HA GLY 99 19.011 -1.380 6.515 645 H LEU 100 H LEU 100 15.604 -1.832 5.367 646 HA LEU 100 HA LEU 100 16.135 0.286 3.402 647 HB3 LEU 100 2HB LEU 100 14.759 -1.019 1.818 648 HG LEU 100 HG LEU 100 17.363 -2.056 2.816 649 HD11 LEU 100 1HD1 LEU 100 17.372 -4.019 1.460 650 HD12 LEU 100 2HD1 LEU 100 15.939 -4.098 2.513 651 HD13 LEU 100 3HD1 LEU 100 15.760 -3.648 0.801 652 HD21 LEU 100 3HD2 LEU 100 16.861 -1.794 -0.069 653 HD22 LEU 100 1HD2 LEU 100 16.596 -0.300 0.862 654 HD23 LEU 100 2HD2 LEU 100 18.167 -1.131 0.943 655 HA PRO 101 HA PRO 101 12.571 1.731 5.558 656 HB3 PRO 101 2HB PRO 101 13.620 3.622 6.352 657 HG3 PRO 101 2HG PRO 101 15.653 4.082 5.363 658 HD3 PRO 101 2HD PRO 101 16.241 1.981 4.640 659 H VAL 102 H VAL 102 10.714 3.379 4.905 660 HA VAL 102 HA VAL 102 9.856 2.311 2.350 661 HB VAL 102 HB VAL 102 7.689 3.174 2.977 662 HG11 VAL 102 1HG1 VAL 102 7.268 1.470 4.391 663 HG12 VAL 102 2HG1 VAL 102 9.000 1.105 4.205 664 HG13 VAL 102 3HG1 VAL 102 8.436 2.053 5.602 665 HG21 VAL 102 3HG2 VAL 102 8.282 5.268 4.020 666 HG22 VAL 102 1HG2 VAL 102 7.359 4.293 5.189 667 HG23 VAL 102 2HG2 VAL 102 9.128 4.424 5.339 668 H ALA 103 H ALA 103 8.150 4.404 1.498 669 HA ALA 103 HA ALA 103 10.172 6.220 0.463 670 HB1 ALA 103 1HB ALA 103 8.927 6.146 -1.412 671 HB2 ALA 103 2HB ALA 103 7.964 4.873 -0.624 672 HB3 ALA 103 3HB ALA 103 7.446 6.573 -0.523 673 H VAL 104 H VAL 104 10.602 7.754 2.047 674 HA VAL 104 HA VAL 104 8.292 9.056 3.272 675 HB VAL 104 HB VAL 104 11.151 9.610 3.968 676 HG11 VAL 104 1HG1 VAL 104 9.892 9.530 6.306 677 HG12 VAL 104 2HG1 VAL 104 9.825 10.967 5.260 678 HG13 VAL 104 3HG1 VAL 104 8.469 9.815 5.278 679 HG21 VAL 104 3HG2 VAL 104 9.777 7.013 4.235 680 HG22 VAL 104 1HG2 VAL 104 11.512 7.410 4.301 681 HG23 VAL 104 2HG2 VAL 104 10.491 7.633 5.743 682 H ASN 105 H ASN 105 8.759 11.563 3.647 683 HA ASN 105 HA ASN 105 10.005 12.664 1.285 684 HB3 ASN 105 2HB ASN 105 7.191 13.488 2.165 685 HD21 ASN 105 1HD2 ASN 105 6.410 15.195 1.139 686 HD22 ASN 105 2HD2 ASN 105 7.189 16.076 -0.131 687 H LYS 106 H LYS 106 11.542 13.211 3.144 688 HA LYS 106 HA LYS 106 10.745 15.740 4.322 689 HB3 LYS 106 2HB LYS 106 12.089 13.952 6.252 690 HG3 LYS 106 2HG LYS 106 9.522 15.335 6.856 691 HD3 LYS 106 2HD LYS 106 12.089 16.049 8.201 692 HE3 LYS 106 2HE LYS 106 10.523 15.247 10.184 693 HZ1 LYS 106 2HZ LYS 106 9.253 17.461 9.814 694 HZ3 LYS 106 1HZ LYS 106 10.238 17.671 8.534 695 H SER 107 H SER 107 12.892 16.489 5.697 696 HA SER 107 HA SER 107 14.901 17.281 5.468 697 HB3 SER 107 2HB SER 107 16.688 15.591 4.580 698 HG SER 107 HG SER 107 16.811 15.004 6.632 699 H GLN 108 H GLN 108 16.790 17.772 3.797 700 HA GLN 108 HA GLN 108 15.576 17.926 1.148 701 HB3 GLN 108 2HB GLN 108 17.278 20.056 2.521 702 HG3 GLN 108 2HG GLN 108 17.489 19.852 -0.025 703 HE21 GLN 108 1HE2 GLN 108 16.557 20.078 -2.016 704 HE22 GLN 108 2HE2 GLN 108 14.852 19.986 -2.305 Start of MODEL 3 1 H1 ALA 1 H ALA 1 -2.792 -20.790 -4.620 2 HA ALA 1 HA ALA 1 -1.531 -22.538 -2.677 3 HB1 ALA 1 1HB ALA 1 0.261 -21.104 -4.466 4 HB2 ALA 1 2HB ALA 1 -0.048 -22.854 -4.336 5 HB3 ALA 1 3HB ALA 1 -1.082 -21.842 -5.373 6 H LEU 2 H LEU 2 -1.939 -21.298 -0.737 7 HA LEU 2 HA LEU 2 -1.228 -18.592 -0.527 8 HB3 LEU 2 2HB LEU 2 -1.048 -19.658 2.016 9 HG LEU 2 HG LEU 2 -3.649 -18.941 0.641 10 HD11 LEU 2 1HD1 LEU 2 -4.274 -19.836 2.673 11 HD12 LEU 2 2HD1 LEU 2 -2.806 -19.268 3.503 12 HD13 LEU 2 3HD1 LEU 2 -4.093 -18.113 3.078 13 HD21 LEU 2 3HD2 LEU 2 -2.818 -16.902 0.332 14 HD22 LEU 2 1HD2 LEU 2 -2.784 -16.729 2.103 15 HD23 LEU 2 2HD2 LEU 2 -1.335 -17.292 1.235 16 H THR 3 H THR 3 0.781 -17.832 -0.942 17 HA THR 3 HA THR 3 3.047 -19.474 -0.044 18 HB THR 3 HB THR 3 3.223 -17.082 -1.904 19 HG1 THR 3 1HG THR 3 2.646 -18.701 -3.584 20 HG21 THR 3 3HG2 THR 3 4.839 -19.465 -1.192 21 HG22 THR 3 1HG2 THR 3 4.611 -19.275 -2.947 22 HG23 THR 3 2HG2 THR 3 5.345 -17.961 -1.997 23 H THR 4 H THR 4 5.003 -18.189 0.718 24 HA THR 4 HA THR 4 4.188 -15.789 2.184 25 HB THR 4 HB THR 4 3.860 -17.697 3.734 26 HG1 THR 4 1HG THR 4 4.822 -15.801 4.649 27 HG21 THR 4 3HG2 THR 4 6.477 -18.554 4.290 28 HG22 THR 4 1HG2 THR 4 5.227 -19.521 3.472 29 HG23 THR 4 2HG2 THR 4 6.401 -18.590 2.512 30 H ILE 5 H ILE 5 5.688 -14.197 2.218 31 HA ILE 5 HA ILE 5 8.443 -14.893 1.668 32 HB ILE 5 HB ILE 5 8.356 -12.965 -0.113 33 HG13 ILE 5 2HG1 ILE 5 5.523 -14.025 -0.114 34 HG21 ILE 5 1HG2 ILE 5 7.340 -15.574 -1.147 35 HG22 ILE 5 2HG2 ILE 5 8.700 -14.567 -1.700 36 HG23 ILE 5 3HG2 ILE 5 8.868 -15.563 -0.235 37 HD11 ILE 5 3HD1 ILE 5 6.773 -11.620 0.800 38 HD12 ILE 5 1HD1 ILE 5 5.887 -11.213 -0.690 39 HD13 ILE 5 2HD1 ILE 5 5.030 -11.965 0.677 40 H SER 6 H SER 6 9.557 -12.417 1.380 41 HA SER 6 HA SER 6 8.590 -10.293 2.642 42 HB3 SER 6 2HB SER 6 10.007 -11.067 4.979 43 HG SER 6 HG SER 6 8.089 -9.684 4.846 44 HA PRO 7 HA PRO 7 13.330 -10.512 2.940 45 HB3 PRO 7 2HB PRO 7 14.220 -12.274 4.125 46 HG3 PRO 7 2HG PRO 7 12.832 -14.104 4.319 47 HD3 PRO 7 2HD PRO 7 10.785 -13.093 4.044 48 H HIS 8 H HIS 8 15.354 -11.553 1.333 49 HA HIS 8 HA HIS 8 14.971 -10.209 -0.965 50 HB3 HIS 8 2HB HIS 8 16.517 -12.503 -1.627 51 HD1 HIS 8 1HD HIS 8 17.191 -10.663 -3.398 52 HD2 HIS 8 2HD HIS 8 18.282 -9.797 0.558 53 HE1 HIS 8 1HE HIS 8 18.868 -8.744 -3.524 54 H ASP 9 H ASP 9 13.693 -13.399 -0.079 55 HA ASP 9 HA ASP 9 13.149 -14.425 -2.527 56 HB3 ASP 9 2HB ASP 9 11.120 -14.530 -0.268 57 HD2 ASP 9 HD ASP 9 11.628 -15.617 -3.290 58 H ALA 10 H ALA 10 11.398 -11.944 -0.579 59 HA ALA 10 HA ALA 10 9.172 -11.802 -2.357 60 HB1 ALA 10 1HB ALA 10 8.327 -10.774 -0.550 61 HB2 ALA 10 2HB ALA 10 9.924 -10.848 0.233 62 HB3 ALA 10 3HB ALA 10 9.484 -9.437 -0.758 63 H GLN 11 H GLN 11 12.403 -10.394 -2.153 64 HA GLN 11 HA GLN 11 11.736 -8.232 -3.888 65 HB3 GLN 11 2HB GLN 11 14.517 -9.221 -3.141 66 HG3 GLN 11 2HG GLN 11 13.915 -7.291 -4.911 67 HE21 GLN 11 1HE2 GLN 11 14.554 -4.853 -4.628 68 HE22 GLN 11 2HE2 GLN 11 13.561 -3.952 -3.530 69 H GLU 12 H GLU 12 11.889 -11.477 -4.415 70 HA GLU 12 HA GLU 12 13.375 -11.253 -6.892 71 HB3 GLU 12 2HB GLU 12 12.363 -13.608 -5.263 72 HG3 GLU 12 2HG GLU 12 12.894 -13.459 -8.163 73 HE2 GLU 12 HE GLU 12 14.094 -16.423 -8.485 74 H LEU 13 H LEU 13 10.165 -12.367 -5.616 75 HA LEU 13 HA LEU 13 9.044 -12.833 -8.139 76 HB3 LEU 13 2HB LEU 13 8.094 -13.858 -6.244 77 HG LEU 13 HG LEU 13 8.615 -11.686 -4.724 78 HD11 LEU 13 1HD1 LEU 13 5.695 -11.475 -5.487 79 HD12 LEU 13 2HD1 LEU 13 6.385 -10.750 -4.015 80 HD13 LEU 13 3HD1 LEU 13 6.960 -10.231 -5.618 81 HD21 LEU 13 3HD2 LEU 13 8.035 -14.089 -4.096 82 HD22 LEU 13 1HD2 LEU 13 7.564 -12.812 -2.948 83 HD23 LEU 13 2HD2 LEU 13 6.342 -13.543 -4.017 84 H ILE 14 H ILE 14 9.491 -9.907 -6.163 85 HA ILE 14 HA ILE 14 7.640 -8.322 -7.585 86 HB ILE 14 HB ILE 14 9.977 -7.721 -5.785 87 HG13 ILE 14 2HG1 ILE 14 7.992 -8.755 -4.757 88 HG21 ILE 14 1HG2 ILE 14 10.068 -5.712 -6.786 89 HG22 ILE 14 2HG2 ILE 14 8.469 -5.896 -7.548 90 HG23 ILE 14 3HG2 ILE 14 8.590 -5.385 -5.847 91 HD11 ILE 14 3HD1 ILE 14 7.427 -6.239 -3.574 92 HD12 ILE 14 1HD1 ILE 14 8.589 -7.459 -3.000 93 HD13 ILE 14 2HD1 ILE 14 9.130 -6.158 -4.088 94 H ALA 15 H ALA 15 11.208 -8.858 -7.852 95 HA ALA 15 HA ALA 15 11.464 -7.073 -10.046 96 HB1 ALA 15 1HB ALA 15 13.743 -7.943 -10.139 97 HB2 ALA 15 2HB ALA 15 13.283 -7.671 -8.441 98 HB3 ALA 15 3HB ALA 15 13.292 -9.321 -9.108 99 H ARG 16 H ARG 16 9.960 -10.091 -9.715 100 HA ARG 16 HA ARG 16 10.757 -11.010 -12.314 101 HB3 ARG 16 2HB ARG 16 8.808 -12.763 -11.593 102 HG3 ARG 16 2HG ARG 16 11.582 -12.673 -10.315 103 HD3 ARG 16 2HD ARG 16 9.404 -14.595 -10.153 104 HE ARG 16 HE ARG 16 11.797 -16.033 -11.077 105 HH11 ARG 16 2HH2 ARG 16 8.622 -14.758 -11.996 106 HH12 ARG 16 1HH2 ARG 16 8.451 -15.819 -13.355 107 HH22 ARG 16 1HH ARG 16 10.198 -17.383 -13.849 108 H GLY 17 H GLY 17 8.252 -9.122 -10.768 109 HA2 GLY 17 1HA GLY 17 7.014 -7.821 -12.536 110 HA3 GLY 17 2HA GLY 17 6.507 -9.387 -13.139 111 H ALA 18 H ALA 18 6.793 -9.927 -9.883 112 HA ALA 18 HA ALA 18 4.066 -10.133 -9.439 113 HB1 ALA 18 1HB ALA 18 6.372 -9.846 -7.470 114 HB2 ALA 18 2HB ALA 18 4.743 -10.443 -7.071 115 HB3 ALA 18 3HB ALA 18 5.781 -11.365 -8.185 116 H LYS 19 H LYS 19 2.668 -8.902 -7.950 117 HA LYS 19 HA LYS 19 3.477 -6.082 -7.804 118 HB3 LYS 19 2HB LYS 19 0.618 -6.924 -8.232 119 HG3 LYS 19 2HG LYS 19 1.930 -4.470 -7.795 120 HD3 LYS 19 2HD LYS 19 0.863 -3.936 -10.449 121 HE3 LYS 19 2HE LYS 19 3.751 -3.547 -10.096 122 HZ1 LYS 19 2HZ LYS 19 2.605 -1.148 -10.024 123 HZ3 LYS 19 1HZ LYS 19 1.369 -1.979 -10.683 124 H LEU 20 H LEU 20 2.618 -4.887 -5.973 125 HA LEU 20 HA LEU 20 1.657 -6.654 -3.834 126 HB3 LEU 20 2HB LEU 20 3.820 -4.555 -3.714 127 HG LEU 20 HG LEU 20 2.030 -5.225 -1.608 128 HD11 LEU 20 1HD1 LEU 20 4.513 -6.821 -1.580 129 HD12 LEU 20 2HD1 LEU 20 4.152 -5.943 -0.075 130 HD13 LEU 20 3HD1 LEU 20 2.961 -7.082 -0.750 131 HD21 LEU 20 3HD2 LEU 20 2.791 -3.142 -1.293 132 HD22 LEU 20 1HD2 LEU 20 4.120 -3.929 -0.408 133 HD23 LEU 20 2HD2 LEU 20 4.335 -3.472 -2.114 134 H ILE 21 H ILE 21 0.208 -5.672 -2.309 135 HA ILE 21 HA ILE 21 -0.851 -3.096 -3.244 136 HB ILE 21 HB ILE 21 -2.128 -5.461 -3.548 137 HG13 ILE 21 2HG1 ILE 21 -3.129 -2.643 -3.196 138 HG21 ILE 21 1HG2 ILE 21 -3.766 -5.815 -1.872 139 HG22 ILE 21 2HG2 ILE 21 -2.201 -5.702 -1.034 140 HG23 ILE 21 3HG2 ILE 21 -3.322 -4.320 -1.016 141 HD11 ILE 21 3HD1 ILE 21 -3.779 -3.744 -5.708 142 HD12 ILE 21 1HD1 ILE 21 -2.451 -2.611 -5.359 143 HD13 ILE 21 2HD1 ILE 21 -2.148 -4.365 -5.353 144 H ASP 22 H ASP 22 -1.772 -1.725 -1.570 145 HA ASP 22 HA ASP 22 -0.643 -2.411 1.029 146 HB3 ASP 22 2HB ASP 22 -1.070 0.250 -0.383 147 HD2 ASP 22 HD ASP 22 0.923 1.339 2.017 148 H ILE 23 H ILE 23 -2.278 -2.954 2.479 149 HA ILE 23 HA ILE 23 -4.833 -1.532 2.181 150 HB ILE 23 HB ILE 23 -5.967 -3.532 2.925 151 HG13 ILE 23 2HG1 ILE 23 -3.534 -4.305 3.981 152 HG21 ILE 23 1HG2 ILE 23 -4.549 -4.879 0.810 153 HG22 ILE 23 2HG2 ILE 23 -6.165 -4.135 0.800 154 HG23 ILE 23 3HG2 ILE 23 -4.729 -3.151 0.426 155 HD11 ILE 23 3HD1 ILE 23 -5.549 -6.456 3.480 156 HD12 ILE 23 1HD1 ILE 23 -4.818 -5.915 5.010 157 HD13 ILE 23 2HD1 ILE 23 -6.155 -4.989 4.286 158 H ARG 24 H ARG 24 -3.024 -0.192 3.609 159 HA ARG 24 HA ARG 24 -3.757 -0.881 6.340 160 HB3 ARG 24 2HB ARG 24 -1.429 -1.296 6.350 161 HG3 ARG 24 2HG ARG 24 -1.184 -0.313 3.956 162 HD3 ARG 24 2HD ARG 24 -1.790 1.998 4.295 163 HE ARG 24 HE ARG 24 -1.398 2.785 6.457 164 HH11 ARG 24 2HH2 ARG 24 1.572 1.260 5.268 165 HH12 ARG 24 1HH2 ARG 24 2.511 1.728 6.646 166 HH22 ARG 24 1HH ARG 24 1.473 2.987 8.402 167 H ASP 25 H ASP 25 -3.109 1.320 7.763 168 HA ASP 25 HA ASP 25 -5.009 3.100 7.373 169 HB3 ASP 25 2HB ASP 25 -3.803 4.596 8.794 170 HD2 ASP 25 HD ASP 25 -2.168 3.681 10.996 171 H ALA 26 H ALA 26 -5.234 5.183 6.267 172 HA ALA 26 HA ALA 26 -3.285 5.560 4.097 173 HB1 ALA 26 1HB ALA 26 -5.330 6.653 2.956 174 HB2 ALA 26 2HB ALA 26 -5.316 4.878 3.091 175 HB3 ALA 26 3HB ALA 26 -6.300 5.848 4.213 176 H ASP 27 H ASP 27 -5.335 7.024 6.643 177 HA ASP 27 HA ASP 27 -4.521 9.652 5.972 178 HB3 ASP 27 2HB ASP 27 -6.503 9.830 7.116 179 HD2 ASP 27 HD ASP 27 -7.366 6.472 7.684 180 H GLU 28 H GLU 28 -3.482 6.996 8.108 181 HA GLU 28 HA GLU 28 -1.758 8.693 9.631 182 HB3 GLU 28 2HB GLU 28 -0.987 6.330 10.499 183 HG3 GLU 28 2HG GLU 28 -3.700 6.281 11.339 184 HE2 GLU 28 HE GLU 28 -0.611 8.071 13.117 185 H TYR 29 H TYR 29 -1.651 6.840 6.670 186 HA TYR 29 HA TYR 29 1.286 6.996 6.675 187 HB3 TYR 29 2HB TYR 29 -0.320 5.477 4.615 188 HD1 TYR 29 1HD TYR 29 2.257 5.285 7.327 189 HD2 TYR 29 2HD TYR 29 0.966 3.870 3.502 190 HE1 TYR 29 1HE TYR 29 4.429 3.990 7.065 191 HE2 TYR 29 2HE TYR 29 3.142 2.580 3.252 192 HH TYR 29 HH TYR 29 4.839 1.567 4.962 193 H LEU 30 H LEU 30 -1.401 8.701 5.685 194 HA LEU 30 HA LEU 30 -1.277 9.163 3.051 195 HB3 LEU 30 2HB LEU 30 -1.922 10.764 5.433 196 HG LEU 30 HG LEU 30 -0.569 12.363 3.921 197 HD11 LEU 30 1HD1 LEU 30 -1.274 11.711 1.754 198 HD12 LEU 30 2HD1 LEU 30 -2.994 11.871 2.184 199 HD13 LEU 30 3HD1 LEU 30 -1.971 13.322 2.053 200 HD21 LEU 30 3HD2 LEU 30 -3.067 13.746 4.059 201 HD22 LEU 30 1HD2 LEU 30 -2.924 12.677 5.475 202 HD23 LEU 30 2HD2 LEU 30 -1.650 13.872 5.130 203 H ARG 31 H ARG 31 1.169 10.032 5.483 204 HA ARG 31 HA ARG 31 2.567 11.705 3.672 205 HB3 ARG 31 2HB ARG 31 4.360 10.952 5.717 206 HG3 ARG 31 2HG ARG 31 2.812 13.262 4.911 207 HD3 ARG 31 2HD ARG 31 1.643 12.693 7.161 208 HE ARG 31 HE ARG 31 4.266 12.512 8.116 209 HH11 ARG 31 2HH2 ARG 31 1.413 14.447 8.938 210 HH12 ARG 31 1HH2 ARG 31 1.854 14.614 10.604 211 HH22 ARG 31 1HH ARG 31 3.878 13.599 11.392 212 H GLU 32 H GLU 32 3.408 8.569 5.340 213 HA GLU 32 HA GLU 32 5.599 8.065 3.727 214 HB3 GLU 32 2HB GLU 32 5.157 5.619 4.561 215 HG3 GLU 32 2HG GLU 32 6.276 7.923 5.781 216 HE2 GLU 32 HE GLU 32 4.359 8.927 7.219 217 H HIS 33 H HIS 33 5.785 6.024 2.260 218 HA HIS 33 HA HIS 33 3.324 5.650 0.739 219 HB3 HIS 33 2HB HIS 33 5.946 6.053 -0.681 220 HD1 HIS 33 1HD HIS 33 4.506 8.015 -2.724 221 HD2 HIS 33 2HD HIS 33 3.101 4.246 -1.535 222 HE1 HIS 33 1HE HIS 33 2.950 7.214 -4.581 223 H ILE 34 H ILE 34 5.333 4.233 -1.249 224 HA ILE 34 HA ILE 34 6.248 2.028 0.345 225 HB ILE 34 HB ILE 34 3.614 1.950 -0.559 226 HG13 ILE 34 2HG1 ILE 34 3.969 0.630 1.249 227 HG21 ILE 34 1HG2 ILE 34 4.747 1.508 -2.840 228 HG22 ILE 34 2HG2 ILE 34 5.128 -0.094 -2.166 229 HG23 ILE 34 3HG2 ILE 34 3.433 0.429 -2.309 230 HD11 ILE 34 3HD1 ILE 34 4.668 -1.486 -0.824 231 HD12 ILE 34 1HD1 ILE 34 3.786 -1.701 0.706 232 HD13 ILE 34 2HD1 ILE 34 3.022 -0.833 -0.647 233 HA PRO 35 HA PRO 35 8.944 1.722 -3.010 234 HB3 PRO 35 2HB PRO 35 10.316 0.234 -1.910 235 HG3 PRO 35 2HG PRO 35 9.273 -1.003 -0.266 236 HD3 PRO 35 2HD PRO 35 7.512 0.389 0.238 237 H GLU 36 H GLU 36 6.601 -0.910 -3.131 238 HA GLU 36 HA GLU 36 6.011 -0.097 -5.813 239 HB3 GLU 36 2HB GLU 36 6.412 -3.012 -5.761 240 HG3 GLU 36 2HG GLU 36 7.776 -0.940 -7.522 241 HE2 GLU 36 HE GLU 36 6.540 -4.615 -8.318 242 H ALA 37 H ALA 37 3.899 0.374 -5.093 243 HA ALA 37 HA ALA 37 2.040 -1.649 -5.156 244 HB1 ALA 37 1HB ALA 37 1.896 -2.523 -3.089 245 HB2 ALA 37 2HB ALA 37 3.422 -1.693 -2.700 246 HB3 ALA 37 3HB ALA 37 1.865 -0.906 -2.347 247 H ASP 38 H ASP 38 -0.102 -0.711 -3.809 248 HA ASP 38 HA ASP 38 -0.104 2.134 -3.817 249 HB3 ASP 38 2HB ASP 38 -2.319 1.311 -5.514 250 HD2 ASP 38 HD ASP 38 -2.627 3.750 -5.900 251 H LEU 39 H LEU 39 -1.665 2.781 -2.287 252 HA LEU 39 HA LEU 39 -2.865 1.100 -0.586 253 HB3 LEU 39 2HB LEU 39 -3.559 3.849 -1.538 254 HG LEU 39 HG LEU 39 -5.696 2.655 -0.741 255 HD11 LEU 39 1HD1 LEU 39 -5.979 2.421 1.667 256 HD12 LEU 39 2HD1 LEU 39 -4.661 1.377 1.081 257 HD13 LEU 39 3HD1 LEU 39 -4.284 2.896 1.930 258 HD21 LEU 39 3HD2 LEU 39 -4.797 5.115 0.783 259 HD22 LEU 39 1HD2 LEU 39 -5.372 5.113 -0.902 260 HD23 LEU 39 2HD2 LEU 39 -6.467 4.624 0.413 261 H ALA 40 H ALA 40 -4.880 0.040 -0.339 262 HA ALA 40 HA ALA 40 -6.977 0.198 -2.139 263 HB1 ALA 40 1HB ALA 40 -6.280 -0.965 -3.930 264 HB2 ALA 40 2HB ALA 40 -4.712 -1.288 -3.149 265 HB3 ALA 40 3HB ALA 40 -6.082 -2.394 -2.888 266 HA PRO 41 HA PRO 41 -7.512 -2.115 1.716 267 HB3 PRO 41 2HB PRO 41 -7.655 -0.352 3.189 268 HG3 PRO 41 2HG PRO 41 -7.779 1.726 2.196 269 HD3 PRO 41 2HD PRO 41 -6.788 1.270 0.172 270 H LEU 42 H LEU 42 -9.328 -3.355 2.586 271 HA LEU 42 HA LEU 42 -10.708 -4.634 0.691 272 HB3 LEU 42 2HB LEU 42 -10.562 -5.060 3.187 273 HG LEU 42 HG LEU 42 -12.653 -2.975 3.206 274 HD11 LEU 42 1HD1 LEU 42 -13.101 -5.591 4.668 275 HD12 LEU 42 2HD1 LEU 42 -14.006 -4.083 4.941 276 HD13 LEU 42 3HD1 LEU 42 -14.108 -4.909 3.368 277 HD21 LEU 42 3HD2 LEU 42 -10.493 -4.015 4.931 278 HD22 LEU 42 1HD2 LEU 42 -11.054 -2.349 4.659 279 HD23 LEU 42 2HD2 LEU 42 -11.932 -3.410 5.786 280 H SER 43 H SER 43 -11.451 -1.417 2.046 281 HA SER 43 HA SER 43 -14.024 -1.188 1.132 282 HB3 SER 43 2HB SER 43 -12.730 0.401 2.652 283 HG SER 43 HG SER 43 -11.983 2.259 0.969 284 H VAL 44 H VAL 44 -10.948 -0.044 -0.456 285 HA VAL 44 HA VAL 44 -12.306 0.548 -2.890 286 HB VAL 44 HB VAL 44 -9.349 0.259 -2.324 287 HG11 VAL 44 1HG1 VAL 44 -8.977 0.946 -4.419 288 HG12 VAL 44 2HG1 VAL 44 -10.707 0.668 -4.739 289 HG13 VAL 44 3HG1 VAL 44 -10.139 2.284 -4.258 290 HG21 VAL 44 3HG2 VAL 44 -11.191 2.647 -1.989 291 HG22 VAL 44 1HG2 VAL 44 -10.243 1.820 -0.728 292 HG23 VAL 44 2HG2 VAL 44 -9.415 2.746 -2.003 293 H LEU 45 H LEU 45 -10.573 -2.228 -1.487 294 HA LEU 45 HA LEU 45 -10.281 -3.590 -3.965 295 HB3 LEU 45 2HB LEU 45 -10.009 -5.550 -2.209 296 HG LEU 45 HG LEU 45 -7.993 -3.290 -2.321 297 HD11 LEU 45 1HD1 LEU 45 -6.345 -5.045 -1.783 298 HD12 LEU 45 2HD1 LEU 45 -7.538 -4.805 -0.484 299 HD13 LEU 45 3HD1 LEU 45 -7.674 -6.209 -1.570 300 HD21 LEU 45 3HD2 LEU 45 -8.288 -3.845 -4.556 301 HD22 LEU 45 1HD2 LEU 45 -6.934 -4.891 -4.061 302 HD23 LEU 45 2HD2 LEU 45 -8.576 -5.566 -4.199 303 H GLU 46 H GLU 46 -12.950 -2.874 -1.925 304 HA GLU 46 HA GLU 46 -14.355 -5.261 -2.757 305 HB3 GLU 46 2HB GLU 46 -16.206 -4.070 -1.278 306 HG3 GLU 46 2HG GLU 46 -14.398 -4.764 0.753 307 HE2 GLU 46 HE GLU 46 -17.408 -6.861 -0.794 308 H GLN 47 H GLN 47 -14.492 -1.658 -3.003 309 HA GLN 47 HA GLN 47 -16.756 -1.809 -4.730 310 HB3 GLN 47 2HB GLN 47 -15.568 0.782 -4.865 311 HG3 GLN 47 2HG GLN 47 -17.603 0.279 -2.752 312 HE21 GLN 47 1HE2 GLN 47 -19.049 1.007 -5.620 313 HE22 GLN 47 2HE2 GLN 47 -18.979 2.739 -5.601 314 H SER 48 H SER 48 -13.236 -1.712 -4.995 315 HA SER 48 HA SER 48 -13.539 -1.349 -7.872 316 HB3 SER 48 2HB SER 48 -10.863 -1.145 -6.502 317 HG SER 48 HG SER 48 -10.378 0.062 -8.247 318 H GLY 49 H GLY 49 -11.283 -2.961 -5.502 319 HA2 GLY 49 1HA GLY 49 -10.753 -5.185 -5.360 320 HA3 GLY 49 2HA GLY 49 -11.691 -5.521 -6.803 321 H LEU 50 H LEU 50 -9.630 -6.889 -7.191 322 HA LEU 50 HA LEU 50 -7.148 -6.015 -7.602 323 HB3 LEU 50 2HB LEU 50 -8.519 -7.721 -9.665 324 HG LEU 50 HG LEU 50 -6.099 -7.414 -9.976 325 HD11 LEU 50 1HD1 LEU 50 -6.064 -7.796 -7.088 326 HD12 LEU 50 2HD1 LEU 50 -4.898 -8.848 -7.926 327 HD13 LEU 50 3HD1 LEU 50 -4.840 -7.085 -8.168 328 HD21 LEU 50 3HD2 LEU 50 -5.490 -9.751 -10.120 329 HD22 LEU 50 1HD2 LEU 50 -6.779 -10.192 -8.974 330 HD23 LEU 50 2HD2 LEU 50 -7.196 -9.543 -10.578 331 HA PRO 51 HA PRO 51 -7.977 -2.738 -10.457 332 HB3 PRO 51 2HB PRO 51 -7.372 -1.062 -9.000 333 HG3 PRO 51 2HG PRO 51 -6.293 -1.786 -7.094 334 HD3 PRO 51 2HD PRO 51 -7.071 -3.947 -6.981 335 H ALA 52 H ALA 52 -7.347 -2.296 -12.542 336 HA ALA 52 HA ALA 52 -5.599 -4.221 -13.625 337 HB1 ALA 52 1HB ALA 52 -5.870 -2.723 -15.688 338 HB2 ALA 52 2HB ALA 52 -7.368 -3.374 -14.982 339 HB3 ALA 52 3HB ALA 52 -6.899 -1.685 -14.673 340 H LYS 53 H LYS 53 -5.234 -0.838 -12.510 341 HA LYS 53 HA LYS 53 -2.747 -0.355 -13.679 342 HB3 LYS 53 2HB LYS 53 -4.115 1.441 -12.842 343 HG3 LYS 53 2HG LYS 53 -3.688 0.124 -10.120 344 HD3 LYS 53 2HD LYS 53 -3.478 2.715 -10.227 345 HE3 LYS 53 2HE LYS 53 -6.307 3.185 -10.085 346 HZ1 LYS 53 2HZ LYS 53 -5.720 4.912 -11.471 347 HZ3 LYS 53 1HZ LYS 53 -4.694 4.033 -12.381 348 H LEU 54 H LEU 54 -3.727 -2.475 -11.103 349 HA LEU 54 HA LEU 54 -0.902 -3.006 -10.578 350 HB3 LEU 54 2HB LEU 54 -1.303 -3.204 -8.208 351 HG LEU 54 HG LEU 54 -1.854 -0.609 -9.524 352 HD11 LEU 54 1HD1 LEU 54 -2.536 -1.023 -6.600 353 HD12 LEU 54 2HD1 LEU 54 -2.442 0.539 -7.448 354 HD13 LEU 54 3HD1 LEU 54 -3.685 -0.648 -7.906 355 HD21 LEU 54 3HD2 LEU 54 -0.115 -1.122 -7.120 356 HD22 LEU 54 1HD2 LEU 54 0.395 -1.615 -8.753 357 HD23 LEU 54 2HD2 LEU 54 0.060 0.098 -8.404 358 H ARG 55 H ARG 55 -2.576 -4.309 -12.455 359 HA ARG 55 HA ARG 55 -3.326 -6.719 -11.026 360 HB3 ARG 55 2HB ARG 55 -3.994 -5.732 -13.843 361 HG3 ARG 55 2HG ARG 55 -5.432 -8.060 -12.631 362 HD3 ARG 55 2HD ARG 55 -4.642 -7.033 -15.354 363 HE ARG 55 HE ARG 55 -4.077 -9.244 -15.912 364 HH11 ARG 55 2HH2 ARG 55 -6.946 -9.267 -13.833 365 HH12 ARG 55 1HH2 ARG 55 -7.252 -10.956 -14.064 366 HH22 ARG 55 1HH ARG 55 -5.788 -12.232 -15.469 367 H HIS 56 H HIS 56 -2.234 -8.674 -11.400 368 HA HIS 56 HA HIS 56 -0.427 -8.787 -13.666 369 HB3 HIS 56 2HB HIS 56 0.731 -9.721 -11.094 370 HD1 HIS 56 1HD HIS 56 1.671 -7.088 -13.726 371 HD2 HIS 56 2HD HIS 56 3.015 -10.749 -12.182 372 HE1 HIS 56 1HE HIS 56 3.898 -7.574 -14.876 373 H GLU 57 H GLU 57 0.812 -11.245 -12.302 374 HA GLU 57 HA GLU 57 -1.480 -12.969 -12.819 375 HB3 GLU 57 2HB GLU 57 0.935 -14.485 -12.910 376 HG3 GLU 57 2HG GLU 57 -0.701 -13.326 -15.215 377 HE2 GLU 57 HE GLU 57 0.493 -16.680 -16.457 378 H GLN 58 H GLN 58 0.718 -11.810 -10.423 379 HA GLN 58 HA GLN 58 -0.465 -13.527 -8.504 380 HB3 GLN 58 2HB GLN 58 1.123 -15.168 -8.798 381 HG3 GLN 58 2HG GLN 58 2.598 -12.980 -10.161 382 HE21 GLN 58 1HE2 GLN 58 4.220 -15.845 -10.399 383 HE22 GLN 58 2HE2 GLN 58 5.587 -15.539 -9.380 384 H ILE 59 H ILE 59 -1.024 -11.972 -7.039 385 HA ILE 59 HA ILE 59 0.961 -9.876 -6.514 386 HB ILE 59 HB ILE 59 -0.849 -8.478 -5.834 387 HG13 ILE 59 2HG1 ILE 59 -2.206 -10.885 -5.299 388 HG21 ILE 59 1HG2 ILE 59 -2.061 -9.584 -8.304 389 HG22 ILE 59 2HG2 ILE 59 -1.534 -7.930 -7.915 390 HG23 ILE 59 3HG2 ILE 59 -0.335 -9.158 -8.386 391 HD11 ILE 59 3HD1 ILE 59 -3.845 -9.409 -4.278 392 HD12 ILE 59 1HD1 ILE 59 -2.239 -8.682 -4.039 393 HD13 ILE 59 2HD1 ILE 59 -3.325 -8.047 -5.298 394 H ILE 60 H ILE 60 0.237 -8.961 -4.059 395 HA ILE 60 HA ILE 60 0.079 -11.289 -2.315 396 HB ILE 60 HB ILE 60 2.248 -9.236 -1.951 397 HG13 ILE 60 2HG1 ILE 60 2.533 -10.422 -4.133 398 HG21 ILE 60 1HG2 ILE 60 1.343 -11.686 -0.554 399 HG22 ILE 60 2HG2 ILE 60 3.103 -11.487 -0.736 400 HG23 ILE 60 3HG2 ILE 60 2.144 -10.225 0.073 401 HD11 ILE 60 3HD1 ILE 60 4.663 -9.883 -3.501 402 HD12 ILE 60 1HD1 ILE 60 4.411 -10.456 -1.835 403 HD13 ILE 60 2HD1 ILE 60 4.808 -11.617 -3.124 404 H PHE 61 H PHE 61 0.016 -10.396 0.098 405 HA PHE 61 HA PHE 61 -1.437 -7.860 0.109 406 HB3 PHE 61 2HB PHE 61 -2.714 -9.502 2.000 407 HD1 PHE 61 1HD PHE 61 -3.618 -7.142 0.837 408 HD2 PHE 61 2HD PHE 61 -4.076 -11.078 -0.682 409 HE1 PHE 61 1HE PHE 61 -5.639 -6.408 -0.456 410 HE2 PHE 61 2HE PHE 61 -6.099 -10.343 -1.974 411 HZ PHE 61 HZ PHE 61 -6.856 -8.017 -1.845 412 H HIS 62 H HIS 62 -0.955 -6.556 1.852 413 HA HIS 62 HA HIS 62 0.419 -7.828 4.090 414 HB3 HIS 62 2HB HIS 62 1.944 -6.687 2.277 415 HD1 HIS 62 1HD HIS 62 3.401 -4.225 3.887 416 HD2 HIS 62 2HD HIS 62 -0.423 -4.276 2.162 417 HE1 HIS 62 1HE HIS 62 2.789 -1.790 3.433 418 H CYS 63 H CYS 63 0.296 -6.559 6.103 419 HA CYS 63 HA CYS 63 -2.082 -4.860 6.050 420 HB3 CYS 63 2HB CYS 63 -1.590 -5.447 8.710 421 HG CYS 63 HG CYS 63 -3.309 -6.983 6.332 422 H GLN 64 H GLN 64 -1.708 -3.512 8.498 423 HA GLN 64 HA GLN 64 0.092 -1.533 7.704 424 HB3 GLN 64 2HB GLN 64 -1.906 -1.027 9.034 425 HG3 GLN 64 2HG GLN 64 -0.909 -3.198 10.680 426 HE21 GLN 64 1HE2 GLN 64 -2.756 -2.103 12.854 427 HE22 GLN 64 2HE2 GLN 64 -1.718 -1.210 13.916 428 H ALA 65 H ALA 65 0.444 -4.499 9.516 429 HA ALA 65 HA ALA 65 3.246 -4.165 9.675 430 HB1 ALA 65 1HB ALA 65 3.372 -3.061 11.636 431 HB2 ALA 65 2HB ALA 65 1.629 -3.255 11.941 432 HB3 ALA 65 3HB ALA 65 2.763 -4.547 12.401 433 H GLY 66 H GLY 66 1.830 -6.045 8.350 434 HA2 GLY 66 1HA GLY 66 1.355 -8.244 8.180 435 HA3 GLY 66 2HA GLY 66 2.774 -8.453 9.186 436 H LYS 67 H LYS 67 1.567 -10.417 9.970 437 HA LYS 67 HA LYS 67 0.460 -11.482 11.554 438 HB3 LYS 67 2HB LYS 67 -0.248 -9.282 13.319 439 HG3 LYS 67 2HG LYS 67 1.342 -11.830 13.328 440 HD3 LYS 67 2HD LYS 67 2.623 -9.698 14.427 441 HE3 LYS 67 2HE LYS 67 0.311 -10.132 16.126 442 HZ1 LYS 67 2HZ LYS 67 1.309 -11.451 17.662 443 HZ3 LYS 67 1HZ LYS 67 2.110 -10.112 18.125 444 H ARG 68 H ARG 68 -1.714 -12.026 12.229 445 HA ARG 68 HA ARG 68 -3.852 -12.151 11.956 446 HB3 ARG 68 2HB ARG 68 -4.913 -9.635 11.383 447 HG3 ARG 68 2HG ARG 68 -4.488 -11.330 13.729 448 HD3 ARG 68 2HD ARG 68 -4.494 -8.299 14.134 449 HE ARG 68 HE ARG 68 -4.520 -10.034 16.483 450 HH11 ARG 68 2HH2 ARG 68 -6.585 -8.333 14.161 451 HH12 ARG 68 1HH2 ARG 68 -7.941 -8.254 15.237 452 HH22 ARG 68 1HH ARG 68 -7.755 -9.200 17.431 453 H THR 69 H THR 69 -2.797 -13.099 9.775 454 HA THR 69 HA THR 69 -4.109 -11.709 7.532 455 HB THR 69 HB THR 69 -1.529 -13.364 7.556 456 HG1 THR 69 1HG THR 69 -1.302 -11.243 8.511 457 HG21 THR 69 3HG2 THR 69 -2.522 -13.486 5.332 458 HG22 THR 69 1HG2 THR 69 -2.995 -11.771 5.394 459 HG23 THR 69 2HG2 THR 69 -1.277 -12.216 5.272 460 H SER 70 H SER 70 -2.982 -14.936 8.741 461 HA SER 70 HA SER 70 -4.399 -16.417 6.943 462 HB3 SER 70 2HB SER 70 -3.581 -16.966 9.820 463 HG SER 70 HG SER 70 -5.154 -18.514 8.071 464 H ASN 71 H ASN 71 -5.493 -14.543 9.711 465 HA ASN 71 HA ASN 71 -7.707 -15.802 10.527 466 HB3 ASN 71 2HB ASN 71 -7.962 -12.853 9.909 467 HD21 ASN 71 1HD2 ASN 71 -7.274 -14.857 12.758 468 HD22 ASN 71 2HD2 ASN 71 -8.762 -14.575 13.597 469 H ASN 72 H ASN 72 -7.359 -13.556 7.684 470 HA ASN 72 HA ASN 72 -9.608 -14.913 6.476 471 HB3 ASN 72 2HB ASN 72 -10.679 -12.791 5.820 472 HD21 ASN 72 1HD2 ASN 72 -12.033 -14.053 7.204 473 HD22 ASN 72 2HD2 ASN 72 -12.304 -13.592 8.852 474 H ALA 73 H ALA 73 -7.085 -15.510 5.717 475 HA ALA 73 HA ALA 73 -6.099 -13.628 3.765 476 HB1 ALA 73 1HB ALA 73 -5.220 -16.265 4.934 477 HB2 ALA 73 2HB ALA 73 -4.488 -15.683 3.420 478 HB3 ALA 73 3HB ALA 73 -4.368 -14.704 4.901 479 H ASP 74 H ASP 74 -8.384 -16.230 3.939 480 HA ASP 74 HA ASP 74 -8.024 -17.132 1.292 481 HB3 ASP 74 2HB ASP 74 -10.693 -17.410 2.630 482 HD2 ASP 74 HD ASP 74 -8.365 -19.812 2.667 483 H LYS 75 H LYS 75 -10.545 -15.150 3.033 484 HA LYS 75 HA LYS 75 -12.135 -14.517 0.906 485 HB3 LYS 75 2HB LYS 75 -11.691 -12.319 2.824 486 HG3 LYS 75 2HG LYS 75 -14.173 -12.875 3.212 487 HD3 LYS 75 2HD LYS 75 -13.952 -12.537 0.267 488 HE3 LYS 75 2HE LYS 75 -15.333 -11.335 2.606 489 HZ1 LYS 75 2HZ LYS 75 -14.565 -9.618 0.306 490 HZ3 LYS 75 1HZ LYS 75 -13.985 -9.439 1.817 491 H LEU 76 H LEU 76 -9.036 -13.003 1.944 492 HA LEU 76 HA LEU 76 -9.146 -10.903 0.083 493 HB3 LEU 76 2HB LEU 76 -6.691 -10.768 0.544 494 HG LEU 76 HG LEU 76 -8.491 -11.002 2.971 495 HD11 LEU 76 1HD1 LEU 76 -6.003 -9.381 3.090 496 HD12 LEU 76 2HD1 LEU 76 -6.837 -10.315 4.356 497 HD13 LEU 76 3HD1 LEU 76 -5.819 -11.151 3.157 498 HD21 LEU 76 3HD2 LEU 76 -7.630 -8.333 2.283 499 HD22 LEU 76 1HD2 LEU 76 -8.429 -9.111 0.895 500 HD23 LEU 76 2HD2 LEU 76 -9.276 -8.991 2.457 501 H ALA 77 H ALA 77 -7.781 -14.239 -0.018 502 HA ALA 77 HA ALA 77 -6.571 -13.947 -2.534 503 HB1 ALA 77 1HB ALA 77 -7.342 -16.650 -2.144 504 HB2 ALA 77 2HB ALA 77 -5.764 -15.908 -1.795 505 HB3 ALA 77 3HB ALA 77 -7.010 -15.984 -0.527 506 H ALA 78 H ALA 78 -9.892 -14.195 -1.509 507 HA ALA 78 HA ALA 78 -10.747 -15.177 -4.112 508 HB1 ALA 78 1HB ALA 78 -13.028 -14.666 -2.712 509 HB2 ALA 78 2HB ALA 78 -12.123 -16.194 -2.605 510 HB3 ALA 78 3HB ALA 78 -11.885 -14.931 -1.374 511 H ILE 79 H ILE 79 -9.885 -12.246 -2.613 512 HA ILE 79 HA ILE 79 -11.882 -10.674 -4.003 513 HB ILE 79 HB ILE 79 -9.795 -10.185 -1.936 514 HG13 ILE 79 2HG1 ILE 79 -12.154 -10.724 -1.361 515 HG21 ILE 79 1HG2 ILE 79 -10.701 -8.185 -3.974 516 HG22 ILE 79 2HG2 ILE 79 -10.422 -7.664 -2.295 517 HG23 ILE 79 3HG2 ILE 79 -9.102 -8.413 -3.226 518 HD11 ILE 79 3HD1 ILE 79 -12.323 -9.104 0.357 519 HD12 ILE 79 1HD1 ILE 79 -10.583 -9.117 -0.017 520 HD13 ILE 79 2HD1 ILE 79 -11.622 -7.821 -0.658 521 H ALA 80 H ALA 80 -8.538 -11.791 -4.324 522 HA ALA 80 HA ALA 80 -8.323 -10.150 -6.755 523 HB1 ALA 80 1HB ALA 80 -6.635 -9.440 -5.233 524 HB2 ALA 80 2HB ALA 80 -6.257 -11.112 -4.751 525 HB3 ALA 80 3HB ALA 80 -5.812 -10.532 -6.374 526 H ALA 81 H ALA 81 -9.825 -12.590 -6.678 527 HA ALA 81 HA ALA 81 -7.991 -14.547 -7.839 528 HB1 ALA 81 1HB ALA 81 -9.349 -16.060 -6.878 529 HB2 ALA 81 2HB ALA 81 -10.208 -14.708 -6.103 530 HB3 ALA 81 3HB ALA 81 -10.783 -15.350 -7.660 531 HA PRO 82 HA PRO 82 -8.927 -16.396 -8.817 532 HB3 PRO 82 2HB PRO 82 -9.677 -17.783 -10.494 533 HG3 PRO 82 2HG PRO 82 -10.217 -16.708 -12.463 534 HD3 PRO 82 2HD PRO 82 -10.661 -14.598 -11.668 535 H ALA 83 H ALA 83 -7.274 -13.882 -10.059 536 HA ALA 83 HA ALA 83 -4.738 -14.650 -10.490 537 HB1 ALA 83 1HB ALA 83 -4.727 -12.398 -10.568 538 HB2 ALA 83 2HB ALA 83 -6.125 -12.284 -9.470 539 HB3 ALA 83 3HB ALA 83 -4.480 -12.429 -8.804 540 H GLU 84 H GLU 84 -2.924 -15.307 -9.303 541 HA GLU 84 HA GLU 84 -3.561 -16.630 -6.878 542 HB3 GLU 84 2HB GLU 84 -0.918 -16.982 -7.001 543 HG3 GLU 84 2HG GLU 84 -1.933 -18.358 -9.337 544 HE2 GLU 84 HE GLU 84 -0.789 -21.123 -7.581 545 H ILE 85 H ILE 85 -3.284 -15.911 -4.794 546 HA ILE 85 HA ILE 85 -1.805 -13.391 -4.493 547 HB ILE 85 HB ILE 85 -4.003 -14.357 -2.682 548 HG13 ILE 85 2HG1 ILE 85 -5.559 -12.914 -3.923 549 HG21 ILE 85 1HG2 ILE 85 -4.024 -11.628 -2.671 550 HG22 ILE 85 2HG2 ILE 85 -3.158 -12.650 -1.499 551 HG23 ILE 85 3HG2 ILE 85 -2.292 -11.970 -2.897 552 HD11 ILE 85 3HD1 ILE 85 -4.800 -12.415 -6.361 553 HD12 ILE 85 1HD1 ILE 85 -4.210 -11.333 -5.077 554 HD13 ILE 85 2HD1 ILE 85 -3.142 -12.596 -5.736 555 H PHE 86 H PHE 86 -0.576 -13.130 -2.483 556 HA PHE 86 HA PHE 86 0.037 -15.682 -1.189 557 HB3 PHE 86 2HB PHE 86 2.465 -14.984 -1.347 558 HD1 PHE 86 1HD PHE 86 0.620 -16.915 -2.771 559 HD2 PHE 86 2HD PHE 86 3.111 -13.804 -4.229 560 HE1 PHE 86 1HE PHE 86 0.819 -18.104 -4.972 561 HE2 PHE 86 2HE PHE 86 3.310 -14.995 -6.430 562 HZ PHE 86 HZ PHE 86 2.162 -17.131 -6.775 563 H LEU 87 H LEU 87 1.790 -15.029 0.710 564 HA LEU 87 HA LEU 87 0.503 -12.788 2.107 565 HB3 LEU 87 2HB LEU 87 0.793 -13.938 4.145 566 HG LEU 87 HG LEU 87 -0.115 -15.950 2.071 567 HD11 LEU 87 1HD1 LEU 87 -1.212 -17.081 4.052 568 HD12 LEU 87 2HD1 LEU 87 0.556 -17.251 3.928 569 HD13 LEU 87 3HD1 LEU 87 -0.148 -16.101 5.089 570 HD21 LEU 87 3HD2 LEU 87 -1.801 -14.462 1.948 571 HD22 LEU 87 1HD2 LEU 87 -2.332 -15.248 3.455 572 HD23 LEU 87 2HD2 LEU 87 -1.415 -13.724 3.522 573 H LEU 88 H LEU 88 1.869 -11.422 3.430 574 HA LEU 88 HA LEU 88 4.721 -11.686 2.818 575 HB3 LEU 88 2HB LEU 88 2.985 -9.250 2.450 576 HG LEU 88 HG LEU 88 5.152 -8.620 3.565 577 HD11 LEU 88 1HD1 LEU 88 6.408 -9.647 1.007 578 HD12 LEU 88 2HD1 LEU 88 7.234 -8.825 2.353 579 HD13 LEU 88 3HD1 LEU 88 6.523 -10.438 2.597 580 HD21 LEU 88 3HD2 LEU 88 5.665 -6.822 2.003 581 HD22 LEU 88 1HD2 LEU 88 4.795 -7.678 0.706 582 HD23 LEU 88 2HD2 LEU 88 3.906 -7.072 2.125 583 H GLU 89 H GLU 89 4.570 -12.733 5.009 584 HA GLU 89 HA GLU 89 3.648 -11.610 7.244 585 HB3 GLU 89 2HB GLU 89 5.870 -12.670 8.289 586 HG3 GLU 89 2HG GLU 89 4.477 -14.859 6.946 587 HE2 GLU 89 HE GLU 89 4.155 -16.418 9.211 588 H ASP 90 H ASP 90 3.734 -9.410 7.645 589 HA ASP 90 HA ASP 90 4.564 -7.515 8.301 590 HB3 ASP 90 2HB ASP 90 7.390 -7.819 8.476 591 HD2 ASP 90 HD ASP 90 6.941 -7.620 12.006 592 H GLY 91 H GLY 91 4.143 -6.594 6.161 593 HA2 GLY 91 1HA GLY 91 6.031 -6.816 4.031 594 HA3 GLY 91 2HA GLY 91 4.632 -5.765 4.117 595 H ILE 92 H ILE 92 4.846 -3.837 5.739 596 HA ILE 92 HA ILE 92 6.832 -2.175 4.916 597 HB ILE 92 HB ILE 92 4.991 -1.219 5.940 598 HG13 ILE 92 2HG1 ILE 92 7.293 -1.012 7.902 599 HG21 ILE 92 1HG2 ILE 92 4.610 -1.758 8.504 600 HG22 ILE 92 2HG2 ILE 92 3.914 -2.774 7.220 601 HG23 ILE 92 3HG2 ILE 92 5.400 -3.288 8.055 602 HD11 ILE 92 3HD1 ILE 92 6.469 0.451 5.373 603 HD12 ILE 92 1HD1 ILE 92 7.457 1.254 6.618 604 HD13 ILE 92 2HD1 ILE 92 8.063 -0.209 5.806 605 H ASP 93 H ASP 93 6.875 -4.545 7.610 606 HA ASP 93 HA ASP 93 9.394 -3.635 8.525 607 HB3 ASP 93 2HB ASP 93 9.205 -6.090 9.635 608 HD2 ASP 93 HD ASP 93 6.863 -3.482 9.749 609 H GLY 94 H GLY 94 8.094 -6.046 6.243 610 HA2 GLY 94 1HA GLY 94 10.450 -7.637 6.013 611 HA3 GLY 94 2HA GLY 94 9.061 -7.618 4.942 612 H TRP 95 H TRP 95 9.226 -4.634 4.504 613 HA TRP 95 HA TRP 95 11.120 -4.756 2.350 614 HB3 TRP 95 2HB TRP 95 9.109 -2.726 3.296 615 HD1 TRP 95 HD TRP 95 9.564 -0.259 2.595 616 HE1 TRP 95 1HE TRP 95 11.012 1.072 0.836 617 HE3 TRP 95 3HE TRP 95 11.580 -4.360 0.364 618 HZ2 TRP 95 2HZ TRP 95 12.795 0.279 -1.246 619 HZ3 TRP 95 3HZ TRP 95 13.165 -3.994 -1.525 620 HH2 TRP 95 HH TRP 95 13.780 -1.772 -2.335 621 H LYS 96 H LYS 96 10.735 -3.189 5.566 622 HA LYS 96 HA LYS 96 13.188 -1.711 5.231 623 HB3 LYS 96 2HB LYS 96 12.035 -1.835 7.923 624 HG3 LYS 96 2HG LYS 96 12.127 0.550 6.055 625 HD3 LYS 96 2HD LYS 96 13.219 1.234 8.509 626 HE3 LYS 96 2HE LYS 96 10.221 1.282 8.290 627 HZ1 LYS 96 2HZ LYS 96 12.080 2.706 9.662 628 HZ3 LYS 96 1HZ LYS 96 10.556 3.213 9.392 629 H LYS 97 H LYS 97 12.530 -4.918 5.647 630 HA LYS 97 HA LYS 97 14.259 -5.509 7.828 631 HB3 LYS 97 2HB LYS 97 12.863 -7.125 5.702 632 HG3 LYS 97 2HG LYS 97 15.165 -7.897 7.454 633 HD3 LYS 97 2HD LYS 97 13.587 -10.259 7.018 634 HE3 LYS 97 2HE LYS 97 15.366 -9.575 8.845 635 HZ1 LYS 97 2HZ LYS 97 12.967 -8.241 9.748 636 HZ3 LYS 97 1HZ LYS 97 14.514 -7.982 10.191 637 H ALA 98 H ALA 98 14.710 -4.564 4.531 638 HA ALA 98 HA ALA 98 17.467 -5.581 4.643 639 HB1 ALA 98 1HB ALA 98 17.208 -5.156 2.051 640 HB2 ALA 98 2HB ALA 98 16.545 -6.637 2.782 641 HB3 ALA 98 3HB ALA 98 15.469 -5.269 2.408 642 H GLY 99 H GLY 99 16.160 -3.076 5.816 643 HA2 GLY 99 1HA GLY 99 16.705 -0.912 6.065 644 HA3 GLY 99 2HA GLY 99 18.217 -1.269 5.254 645 H LEU 100 H LEU 100 14.757 -1.353 4.135 646 HA LEU 100 HA LEU 100 15.464 0.712 2.184 647 HB3 LEU 100 2HB LEU 100 14.646 -0.462 0.371 648 HG LEU 100 HG LEU 100 16.199 -2.306 2.144 649 HD11 LEU 100 1HD1 LEU 100 15.155 -3.218 -0.543 650 HD12 LEU 100 2HD1 LEU 100 16.083 -4.148 0.657 651 HD13 LEU 100 3HD1 LEU 100 14.405 -3.672 1.006 652 HD21 LEU 100 3HD2 LEU 100 16.764 -0.446 0.073 653 HD22 LEU 100 1HD2 LEU 100 17.896 -1.467 0.994 654 HD23 LEU 100 2HD2 LEU 100 17.191 -2.067 -0.526 655 HA PRO 101 HA PRO 101 11.752 2.011 4.207 656 HB3 PRO 101 2HB PRO 101 12.743 3.789 5.283 657 HG3 PRO 101 2HG PRO 101 14.865 4.305 4.538 658 HD3 PRO 101 2HD PRO 101 15.495 2.274 3.663 659 H VAL 102 H VAL 102 9.872 3.508 3.593 660 HA VAL 102 HA VAL 102 9.319 2.826 0.844 661 HB VAL 102 HB VAL 102 7.076 3.658 1.383 662 HG11 VAL 102 1HG1 VAL 102 8.105 1.317 2.087 663 HG12 VAL 102 2HG1 VAL 102 7.795 1.936 3.727 664 HG13 VAL 102 3HG1 VAL 102 6.457 1.786 2.564 665 HG21 VAL 102 3HG2 VAL 102 6.469 4.522 3.516 666 HG22 VAL 102 1HG2 VAL 102 8.065 4.145 4.205 667 HG23 VAL 102 2HG2 VAL 102 7.901 5.438 2.993 668 H ALA 103 H ALA 103 7.761 4.858 -0.115 669 HA ALA 103 HA ALA 103 9.769 6.846 -0.676 670 HB1 ALA 103 1HB ALA 103 8.634 7.042 -2.617 671 HB2 ALA 103 2HB ALA 103 7.694 5.628 -2.083 672 HB3 ALA 103 3HB ALA 103 7.082 7.271 -1.776 673 H VAL 104 H VAL 104 10.094 8.289 0.985 674 HA VAL 104 HA VAL 104 7.723 9.351 2.314 675 HB VAL 104 HB VAL 104 10.552 10.014 3.038 676 HG11 VAL 104 1HG1 VAL 104 9.054 9.467 5.320 677 HG12 VAL 104 2HG1 VAL 104 9.415 11.074 4.649 678 HG13 VAL 104 3HG1 VAL 104 7.894 10.254 4.222 679 HG21 VAL 104 3HG2 VAL 104 9.307 7.329 3.131 680 HG22 VAL 104 1HG2 VAL 104 11.023 7.804 3.144 681 HG23 VAL 104 2HG2 VAL 104 10.068 7.872 4.645 682 H ASN 105 H ASN 105 8.255 11.868 2.974 683 HA ASN 105 HA ASN 105 7.691 13.322 0.805 684 HB3 ASN 105 2HB ASN 105 9.495 14.716 2.745 685 HD21 ASN 105 1HD2 ASN 105 7.117 15.702 4.129 686 HD22 ASN 105 2HD2 ASN 105 6.301 16.782 3.048 687 H LYS 106 H LYS 106 10.971 13.155 2.409 688 HA LYS 106 HA LYS 106 12.373 12.785 0.023 689 HB3 LYS 106 2HB LYS 106 13.078 15.515 0.847 690 HG3 LYS 106 2HG LYS 106 12.533 14.012 -1.746 691 HD3 LYS 106 2HD LYS 106 13.773 16.697 -1.931 692 HE3 LYS 106 2HE LYS 106 12.276 14.826 -3.560 693 HZ1 LYS 106 2HZ LYS 106 11.208 17.238 -4.447 694 HZ3 LYS 106 1HZ LYS 106 10.811 17.144 -2.870 695 H SER 107 H SER 107 13.033 14.982 2.832 696 HA SER 107 HA SER 107 15.128 13.096 3.556 697 HB3 SER 107 2HB SER 107 15.953 15.344 3.049 698 HG SER 107 HG SER 107 15.120 16.862 5.039 699 H GLN 108 H GLN 108 14.111 11.641 4.960 700 HA GLN 108 HA GLN 108 12.120 12.443 6.744 701 HB3 GLN 108 2HB GLN 108 12.312 10.130 5.945 702 HG3 GLN 108 2HG GLN 108 15.075 10.455 6.923 703 HE21 GLN 108 1HE2 GLN 108 16.269 9.136 8.147 704 HE22 GLN 108 2HE2 GLN 108 15.667 7.822 9.101 Start of MODEL 4 1 H1 ALA 1 H ALA 1 -4.800 -17.074 -3.740 2 HA ALA 1 HA ALA 1 -4.279 -19.028 -2.820 3 HB1 ALA 1 1HB ALA 1 -1.642 -18.389 -4.139 4 HB2 ALA 1 2HB ALA 1 -1.759 -19.760 -3.010 5 HB3 ALA 1 3HB ALA 1 -2.777 -19.719 -4.469 6 H LEU 2 H LEU 2 -3.621 -19.756 -0.720 7 HA LEU 2 HA LEU 2 -2.784 -17.543 0.967 8 HB3 LEU 2 2HB LEU 2 -4.539 -18.400 2.045 9 HG LEU 2 HG LEU 2 -3.977 -21.035 0.698 10 HD11 LEU 2 1HD1 LEU 2 -4.830 -20.826 3.361 11 HD12 LEU 2 2HD1 LEU 2 -6.300 -21.156 2.411 12 HD13 LEU 2 3HD1 LEU 2 -4.905 -22.257 2.302 13 HD21 LEU 2 3HD2 LEU 2 -5.714 -20.540 -0.606 14 HD22 LEU 2 1HD2 LEU 2 -6.719 -20.039 0.775 15 HD23 LEU 2 2HD2 LEU 2 -5.585 -18.885 0.034 16 H THR 3 H THR 3 -0.576 -17.700 -0.140 17 HA THR 3 HA THR 3 1.007 -19.828 1.144 18 HB THR 3 HB THR 3 1.903 -18.203 -1.257 19 HG1 THR 3 1HG THR 3 0.035 -20.448 -1.006 20 HG21 THR 3 3HG2 THR 3 3.583 -19.757 -1.046 21 HG22 THR 3 1HG2 THR 3 2.641 -20.724 0.115 22 HG23 THR 3 2HG2 THR 3 2.387 -20.939 -1.634 23 H THR 4 H THR 4 3.326 -19.155 1.626 24 HA THR 4 HA THR 4 3.609 -16.337 2.248 25 HB THR 4 HB THR 4 3.446 -18.547 4.360 26 HG1 THR 4 1HG THR 4 1.716 -17.093 5.029 27 HG21 THR 4 3HG2 THR 4 3.841 -15.631 5.025 28 HG22 THR 4 1HG2 THR 4 4.309 -17.073 5.959 29 HG23 THR 4 2HG2 THR 4 5.283 -16.565 4.558 30 H ILE 5 H ILE 5 5.705 -15.651 2.193 31 HA ILE 5 HA ILE 5 7.799 -17.642 2.354 32 HB ILE 5 HB ILE 5 8.720 -16.555 0.152 33 HG13 ILE 5 2HG1 ILE 5 5.726 -16.320 -0.266 34 HG21 ILE 5 1HG2 ILE 5 6.653 -18.552 -0.509 35 HG22 ILE 5 2HG2 ILE 5 8.414 -18.587 -0.754 36 HG23 ILE 5 3HG2 ILE 5 7.730 -18.993 0.838 37 HD11 ILE 5 3HD1 ILE 5 6.726 -13.915 -0.946 38 HD12 ILE 5 1HD1 ILE 5 6.212 -14.279 0.720 39 HD13 ILE 5 2HD1 ILE 5 7.937 -14.361 0.282 40 H SER 6 H SER 6 10.023 -16.403 2.053 41 HA SER 6 HA SER 6 9.895 -14.307 3.950 42 HB3 SER 6 2HB SER 6 12.379 -14.289 3.705 43 HG SER 6 HG SER 6 12.604 -16.190 4.724 44 HA PRO 7 HA PRO 7 9.953 -10.955 1.176 45 HB3 PRO 7 2HB PRO 7 9.469 -9.450 2.849 46 HG3 PRO 7 2HG PRO 7 10.047 -10.148 4.970 47 HD3 PRO 7 2HD PRO 7 10.029 -12.428 4.667 48 H HIS 8 H HIS 8 12.882 -12.219 2.364 49 HA HIS 8 HA HIS 8 14.618 -10.586 0.910 50 HB3 HIS 8 2HB HIS 8 15.745 -13.179 1.156 51 HD1 HIS 8 1HD HIS 8 17.167 -10.635 0.654 52 HD2 HIS 8 2HD HIS 8 16.316 -11.922 4.555 53 HE1 HIS 8 1HE HIS 8 18.821 -9.433 2.180 54 H ASP 9 H ASP 9 12.575 -13.352 0.040 55 HA ASP 9 HA ASP 9 13.877 -13.437 -2.551 56 HB3 ASP 9 2HB ASP 9 11.632 -15.301 -2.089 57 HD2 ASP 9 HD ASP 9 13.686 -17.715 -3.576 58 H ALA 10 H ALA 10 11.049 -12.353 -0.789 59 HA ALA 10 HA ALA 10 9.188 -12.395 -2.919 60 HB1 ALA 10 1HB ALA 10 7.753 -11.456 -1.372 61 HB2 ALA 10 2HB ALA 10 8.969 -12.142 -0.268 62 HB3 ALA 10 3HB ALA 10 9.012 -10.409 -0.676 63 H GLN 11 H GLN 11 11.821 -10.252 -1.919 64 HA GLN 11 HA GLN 11 10.859 -8.046 -3.412 65 HB3 GLN 11 2HB GLN 11 13.743 -8.437 -2.562 66 HG3 GLN 11 2HG GLN 11 13.038 -5.918 -1.847 67 HE21 GLN 11 1HE2 GLN 11 13.050 -4.428 -4.169 68 HE22 GLN 11 2HE2 GLN 11 14.474 -4.766 -5.097 69 H GLU 12 H GLU 12 11.889 -11.025 -4.409 70 HA GLU 12 HA GLU 12 13.469 -9.994 -6.609 71 HB3 GLU 12 2HB GLU 12 12.983 -12.788 -5.516 72 HG3 GLU 12 2HG GLU 12 13.767 -11.953 -8.244 73 HE2 GLU 12 HE GLU 12 17.140 -12.688 -7.869 74 H LEU 13 H LEU 13 10.551 -12.033 -5.916 75 HA LEU 13 HA LEU 13 9.821 -12.319 -8.612 76 HB3 LEU 13 2HB LEU 13 8.983 -13.891 -7.117 77 HG LEU 13 HG LEU 13 8.752 -11.810 -5.215 78 HD11 LEU 13 1HD1 LEU 13 6.330 -11.844 -6.346 79 HD12 LEU 13 2HD1 LEU 13 6.111 -13.181 -5.192 80 HD13 LEU 13 3HD1 LEU 13 6.580 -11.567 -4.606 81 HD21 LEU 13 3HD2 LEU 13 8.319 -14.782 -5.238 82 HD22 LEU 13 1HD2 LEU 13 9.613 -13.826 -4.477 83 HD23 LEU 13 2HD2 LEU 13 7.979 -13.833 -3.773 84 H ILE 14 H ILE 14 9.057 -9.889 -6.077 85 HA ILE 14 HA ILE 14 7.076 -8.556 -7.527 86 HB ILE 14 HB ILE 14 8.924 -7.763 -5.290 87 HG13 ILE 14 2HG1 ILE 14 6.782 -9.404 -5.246 88 HG21 ILE 14 1HG2 ILE 14 7.047 -5.846 -5.165 89 HG22 ILE 14 2HG2 ILE 14 8.603 -5.640 -6.002 90 HG23 ILE 14 3HG2 ILE 14 7.141 -6.047 -6.931 91 HD11 ILE 14 3HD1 ILE 14 8.352 -7.929 -3.369 92 HD12 ILE 14 1HD1 ILE 14 6.651 -7.749 -2.875 93 HD13 ILE 14 2HD1 ILE 14 7.358 -9.372 -3.059 94 H ALA 15 H ALA 15 10.660 -8.151 -7.358 95 HA ALA 15 HA ALA 15 10.647 -5.918 -9.117 96 HB1 ALA 15 1HB ALA 15 13.172 -6.624 -9.199 97 HB2 ALA 15 2HB ALA 15 12.486 -6.015 -7.674 98 HB3 ALA 15 3HB ALA 15 12.712 -7.765 -7.914 99 H ARG 16 H ARG 16 10.002 -9.226 -9.562 100 HA ARG 16 HA ARG 16 11.220 -9.310 -12.162 101 HB3 ARG 16 2HB ARG 16 9.780 -11.632 -12.019 102 HG3 ARG 16 2HG ARG 16 12.405 -11.058 -10.564 103 HD3 ARG 16 2HD ARG 16 10.823 -13.479 -10.760 104 HE ARG 16 HE ARG 16 13.476 -14.074 -11.896 105 HH11 ARG 16 2HH2 ARG 16 10.033 -13.592 -12.583 106 HH12 ARG 16 1HH2 ARG 16 10.086 -14.448 -14.088 107 HH22 ARG 16 1HH ARG 16 12.163 -15.387 -14.832 108 H GLY 17 H GLY 17 8.165 -8.577 -10.611 109 HA2 GLY 17 1HA GLY 17 6.880 -7.395 -12.640 110 HA3 GLY 17 2HA GLY 17 6.547 -9.084 -12.968 111 H ALA 18 H ALA 18 6.613 -9.899 -10.088 112 HA ALA 18 HA ALA 18 3.972 -9.806 -9.484 113 HB1 ALA 18 1HB ALA 18 4.731 -11.101 -7.813 114 HB2 ALA 18 2HB ALA 18 6.394 -10.668 -8.279 115 HB3 ALA 18 3HB ALA 18 5.535 -9.708 -7.050 116 H LYS 19 H LYS 19 2.554 -8.215 -8.987 117 HA LYS 19 HA LYS 19 3.609 -5.602 -8.373 118 HB3 LYS 19 2HB LYS 19 0.844 -5.446 -8.286 119 HG3 LYS 19 2HG LYS 19 1.521 -5.111 -10.980 120 HD3 LYS 19 2HD LYS 19 0.925 -3.495 -8.694 121 HE3 LYS 19 2HE LYS 19 3.564 -2.899 -9.937 122 HZ1 LYS 19 2HZ LYS 19 2.652 -1.056 -10.940 123 HZ3 LYS 19 1HZ LYS 19 2.848 -0.416 -9.455 124 H LEU 20 H LEU 20 2.671 -4.313 -6.532 125 HA LEU 20 HA LEU 20 2.237 -6.090 -4.232 126 HB3 LEU 20 2HB LEU 20 3.487 -3.373 -4.019 127 HG LEU 20 HG LEU 20 2.883 -5.335 -2.118 128 HD11 LEU 20 1HD1 LEU 20 4.683 -6.760 -2.771 129 HD12 LEU 20 2HD1 LEU 20 5.828 -5.399 -2.815 130 HD13 LEU 20 3HD1 LEU 20 5.159 -5.948 -1.260 131 HD21 LEU 20 3HD2 LEU 20 4.731 -2.940 -2.057 132 HD22 LEU 20 1HD2 LEU 20 3.021 -3.025 -1.571 133 HD23 LEU 20 2HD2 LEU 20 4.262 -3.864 -0.610 134 H ILE 21 H ILE 21 0.792 -5.282 -2.556 135 HA ILE 21 HA ILE 21 -0.904 -3.070 -3.439 136 HB ILE 21 HB ILE 21 -1.623 -5.752 -3.678 137 HG13 ILE 21 2HG1 ILE 21 -3.087 -3.124 -3.797 138 HG21 ILE 21 1HG2 ILE 21 -3.339 -4.576 -1.498 139 HG22 ILE 21 2HG2 ILE 21 -3.260 -6.252 -2.093 140 HG23 ILE 21 3HG2 ILE 21 -1.923 -5.587 -1.125 141 HD11 ILE 21 3HD1 ILE 21 -1.663 -4.943 -5.618 142 HD12 ILE 21 1HD1 ILE 21 -3.306 -4.567 -6.187 143 HD13 ILE 21 2HD1 ILE 21 -2.154 -3.250 -5.866 144 H ASP 22 H ASP 22 -2.159 -2.105 -1.647 145 HA ASP 22 HA ASP 22 -0.817 -2.647 0.885 146 HB3 ASP 22 2HB ASP 22 -2.094 -0.044 0.821 147 HD2 ASP 22 HD ASP 22 -0.456 -1.517 2.492 148 H ILE 23 H ILE 23 -2.234 -3.409 2.465 149 HA ILE 23 HA ILE 23 -5.090 -2.871 2.037 150 HB ILE 23 HB ILE 23 -5.446 -4.932 3.377 151 HG13 ILE 23 2HG1 ILE 23 -2.981 -4.740 4.300 152 HG21 ILE 23 1HG2 ILE 23 -3.843 -5.299 0.832 153 HG22 ILE 23 2HG2 ILE 23 -4.972 -6.471 1.551 154 HG23 ILE 23 3HG2 ILE 23 -5.578 -4.919 0.925 155 HD11 ILE 23 3HD1 ILE 23 -3.027 -7.327 4.550 156 HD12 ILE 23 1HD1 ILE 23 -4.411 -6.417 5.203 157 HD13 ILE 23 2HD1 ILE 23 -4.554 -7.254 3.639 158 H ARG 24 H ARG 24 -3.925 -0.735 3.088 159 HA ARG 24 HA ARG 24 -4.670 -0.976 5.876 160 HB3 ARG 24 2HB ARG 24 -2.270 -1.008 6.034 161 HG3 ARG 24 2HG ARG 24 -2.378 0.342 3.532 162 HD3 ARG 24 2HD ARG 24 -0.537 1.892 5.366 163 HE ARG 24 HE ARG 24 -1.787 3.134 3.035 164 HH11 ARG 24 2HH2 ARG 24 0.880 1.055 4.094 165 HH12 ARG 24 1HH2 ARG 24 1.869 1.413 2.717 166 HH22 ARG 24 1HH ARG 24 1.047 2.916 1.040 167 H ASP 25 H ASP 25 -4.497 1.583 6.773 168 HA ASP 25 HA ASP 25 -6.552 2.851 5.415 169 HB3 ASP 25 2HB ASP 25 -6.391 4.507 7.089 170 HD2 ASP 25 HD ASP 25 -6.708 1.397 7.906 171 H ALA 26 H ALA 26 -5.984 5.541 5.114 172 HA ALA 26 HA ALA 26 -3.830 5.536 3.116 173 HB1 ALA 26 1HB ALA 26 -6.611 6.384 3.071 174 HB2 ALA 26 2HB ALA 26 -5.529 7.751 2.705 175 HB3 ALA 26 3HB ALA 26 -5.444 6.263 1.731 176 H ASP 27 H ASP 27 -5.333 7.169 5.921 177 HA ASP 27 HA ASP 27 -4.061 9.523 5.928 178 HB3 ASP 27 2HB ASP 27 -5.406 7.874 7.816 179 HD2 ASP 27 HD ASP 27 -2.090 8.898 9.831 180 H GLU 28 H GLU 28 -2.836 6.308 7.081 181 HA GLU 28 HA GLU 28 -0.395 7.298 8.006 182 HB3 GLU 28 2HB GLU 28 -1.314 5.150 8.764 183 HG3 GLU 28 2HG GLU 28 -0.713 4.150 5.941 184 HE2 GLU 28 HE GLU 28 -3.035 3.159 8.320 185 H TYR 29 H TYR 29 -1.616 6.366 4.819 186 HA TYR 29 HA TYR 29 1.013 6.142 3.667 187 HB3 TYR 29 2HB TYR 29 -1.926 6.045 2.878 188 HD1 TYR 29 1HD TYR 29 1.357 5.765 1.059 189 HD2 TYR 29 2HD TYR 29 -2.753 6.943 0.917 190 HE1 TYR 29 1HE TYR 29 1.641 6.492 -1.360 191 HE2 TYR 29 2HE TYR 29 -2.455 7.667 -1.502 192 HH TYR 29 HH TYR 29 -0.557 6.771 -3.426 193 H LEU 30 H LEU 30 -1.355 8.662 4.309 194 HA LEU 30 HA LEU 30 -0.853 10.415 2.252 195 HB3 LEU 30 2HB LEU 30 -1.592 10.809 5.142 196 HG LEU 30 HG LEU 30 -2.431 13.047 4.532 197 HD11 LEU 30 1HD1 LEU 30 -0.039 12.444 5.520 198 HD12 LEU 30 2HD1 LEU 30 0.500 13.226 4.015 199 HD13 LEU 30 3HD1 LEU 30 -0.525 14.119 5.165 200 HD21 LEU 30 3HD2 LEU 30 -1.840 12.255 1.910 201 HD22 LEU 30 1HD2 LEU 30 -2.431 13.842 2.459 202 HD23 LEU 30 2HD2 LEU 30 -0.684 13.556 2.284 203 H ARG 31 H ARG 31 1.042 9.720 5.221 204 HA ARG 31 HA ARG 31 2.916 11.761 4.435 205 HB3 ARG 31 2HB ARG 31 3.837 10.245 6.716 206 HG3 ARG 31 2HG ARG 31 2.711 13.012 6.210 207 HD3 ARG 31 2HD ARG 31 3.749 12.167 8.934 208 HE ARG 31 HE ARG 31 2.770 14.620 7.785 209 HH11 ARG 31 2HH2 ARG 31 2.631 12.738 10.783 210 HH12 ARG 31 1HH2 ARG 31 2.351 14.122 11.785 211 HH22 ARG 31 1HH ARG 31 2.219 16.292 10.777 212 H GLU 32 H GLU 32 3.263 8.365 5.714 213 HA GLU 32 HA GLU 32 5.662 8.073 4.200 214 HB3 GLU 32 2HB GLU 32 5.595 5.723 5.246 215 HG3 GLU 32 2HG GLU 32 6.292 8.216 6.339 216 HE2 GLU 32 HE GLU 32 4.964 7.119 9.815 217 H HIS 33 H HIS 33 5.965 5.906 2.913 218 HA HIS 33 HA HIS 33 3.497 5.282 1.480 219 HB3 HIS 33 2HB HIS 33 6.102 5.597 0.008 220 HD1 HIS 33 1HD HIS 33 5.031 6.990 -2.413 221 HD2 HIS 33 2HD HIS 33 2.862 3.997 -0.431 222 HE1 HIS 33 1HE HIS 33 3.363 6.071 -4.112 223 H ILE 34 H ILE 34 5.422 3.682 -0.387 224 HA ILE 34 HA ILE 34 6.535 1.717 1.367 225 HB ILE 34 HB ILE 34 3.819 1.471 0.793 226 HG13 ILE 34 2HG1 ILE 34 4.408 0.418 2.710 227 HG21 ILE 34 1HG2 ILE 34 5.422 -0.476 -0.887 228 HG22 ILE 34 2HG2 ILE 34 3.683 -0.601 -0.531 229 HG23 ILE 34 3HG2 ILE 34 4.301 0.772 -1.481 230 HD11 ILE 34 3HD1 ILE 34 4.814 -1.851 0.707 231 HD12 ILE 34 1HD1 ILE 34 4.492 -2.052 2.446 232 HD13 ILE 34 2HD1 ILE 34 3.253 -1.334 1.389 233 HA PRO 35 HA PRO 35 8.832 0.973 -2.210 234 HB3 PRO 35 2HB PRO 35 10.335 -0.374 -1.101 235 HG3 PRO 35 2HG PRO 35 9.498 -1.401 0.787 236 HD3 PRO 35 2HD PRO 35 7.792 0.047 1.315 237 H GLU 36 H GLU 36 7.169 1.496 -3.717 238 HA GLU 36 HA GLU 36 6.004 1.055 -5.495 239 HB3 GLU 36 2HB GLU 36 7.483 -1.600 -5.354 240 HG3 GLU 36 2HG GLU 36 5.808 -0.556 -7.684 241 HE2 GLU 36 HE GLU 36 7.420 -1.136 -9.067 242 H ALA 37 H ALA 37 3.882 1.183 -4.796 243 HA ALA 37 HA ALA 37 2.345 -1.148 -4.737 244 HB1 ALA 37 1HB ALA 37 2.505 0.097 -1.989 245 HB2 ALA 37 2HB ALA 37 1.882 -1.500 -2.467 246 HB3 ALA 37 3HB ALA 37 3.635 -1.195 -2.460 247 H ASP 38 H ASP 38 0.098 -0.354 -3.364 248 HA ASP 38 HA ASP 38 -0.358 2.414 -3.760 249 HB3 ASP 38 2HB ASP 38 -2.470 1.342 -5.289 250 HD2 ASP 38 HD ASP 38 -2.806 2.964 -6.681 251 H LEU 39 H LEU 39 -1.989 2.991 -2.280 252 HA LEU 39 HA LEU 39 -2.958 1.208 -0.449 253 HB3 LEU 39 2HB LEU 39 -2.897 3.808 -0.544 254 HG LEU 39 HG LEU 39 -5.038 3.525 -2.272 255 HD11 LEU 39 1HD1 LEU 39 -6.592 2.731 -0.684 256 HD12 LEU 39 2HD1 LEU 39 -6.073 3.917 0.539 257 HD13 LEU 39 3HD1 LEU 39 -6.962 4.458 -0.905 258 HD21 LEU 39 3HD2 LEU 39 -5.151 5.851 -2.223 259 HD22 LEU 39 1HD2 LEU 39 -4.733 5.937 -0.495 260 HD23 LEU 39 2HD2 LEU 39 -3.489 5.503 -1.692 261 H ALA 40 H ALA 40 -4.698 -0.169 -0.269 262 HA ALA 40 HA ALA 40 -6.974 -0.014 -1.884 263 HB1 ALA 40 1HB ALA 40 -6.628 -1.627 -3.548 264 HB2 ALA 40 2HB ALA 40 -5.076 -0.754 -3.529 265 HB3 ALA 40 3HB ALA 40 -5.220 -2.329 -2.714 266 HA PRO 41 HA PRO 41 -7.076 -2.596 1.829 267 HB3 PRO 41 2HB PRO 41 -7.297 -0.941 3.414 268 HG3 PRO 41 2HG PRO 41 -7.668 1.169 2.561 269 HD3 PRO 41 2HD PRO 41 -6.759 0.926 0.463 270 H LEU 42 H LEU 42 -8.767 -4.005 2.757 271 HA LEU 42 HA LEU 42 -10.113 -5.325 0.854 272 HB3 LEU 42 2HB LEU 42 -9.830 -6.032 3.181 273 HG LEU 42 HG LEU 42 -10.885 -3.756 4.093 274 HD11 LEU 42 1HD1 LEU 42 -13.135 -3.739 4.535 275 HD12 LEU 42 2HD1 LEU 42 -13.115 -4.569 2.960 276 HD13 LEU 42 3HD1 LEU 42 -13.282 -5.511 4.461 277 HD21 LEU 42 3HD2 LEU 42 -11.186 -4.837 6.243 278 HD22 LEU 42 1HD2 LEU 42 -11.285 -6.432 5.459 279 HD23 LEU 42 2HD2 LEU 42 -9.762 -5.511 5.412 280 H SER 43 H SER 43 -11.137 -2.309 2.501 281 HA SER 43 HA SER 43 -13.733 -2.246 1.706 282 HB3 SER 43 2HB SER 43 -13.108 0.394 1.552 283 HG SER 43 HG SER 43 -14.031 0.322 3.474 284 H VAL 44 H VAL 44 -10.927 -0.653 0.007 285 HA VAL 44 HA VAL 44 -12.474 -0.140 -2.315 286 HB VAL 44 HB VAL 44 -9.533 -0.014 -1.658 287 HG11 VAL 44 1HG1 VAL 44 -10.113 1.527 -3.982 288 HG12 VAL 44 2HG1 VAL 44 -9.024 0.126 -3.824 289 HG13 VAL 44 3HG1 VAL 44 -10.734 -0.119 -4.260 290 HG21 VAL 44 3HG2 VAL 44 -9.911 2.095 -0.996 291 HG22 VAL 44 1HG2 VAL 44 -10.937 2.446 -2.409 292 HG23 VAL 44 2HG2 VAL 44 -11.635 1.656 -0.974 293 H LEU 45 H LEU 45 -10.299 -2.745 -1.195 294 HA LEU 45 HA LEU 45 -9.998 -3.967 -3.714 295 HB3 LEU 45 2HB LEU 45 -9.641 -5.987 -1.951 296 HG LEU 45 HG LEU 45 -7.696 -3.716 -2.445 297 HD11 LEU 45 1HD1 LEU 45 -7.092 -6.481 -1.364 298 HD12 LEU 45 2HD1 LEU 45 -5.937 -5.159 -1.658 299 HD13 LEU 45 3HD1 LEU 45 -7.168 -4.997 -0.383 300 HD21 LEU 45 3HD2 LEU 45 -7.045 -4.734 -4.352 301 HD22 LEU 45 1HD2 LEU 45 -7.335 -6.370 -3.714 302 HD23 LEU 45 2HD2 LEU 45 -8.698 -5.390 -4.304 303 H GLU 46 H GLU 46 -12.676 -3.662 -1.543 304 HA GLU 46 HA GLU 46 -13.917 -6.006 -2.737 305 HB3 GLU 46 2HB GLU 46 -15.700 -5.445 -0.881 306 HG3 GLU 46 2HG GLU 46 -13.233 -6.232 0.540 307 HE2 GLU 46 HE GLU 46 -14.976 -8.545 -1.061 308 H GLN 47 H GLN 47 -14.405 -2.490 -2.042 309 HA GLN 47 HA GLN 47 -16.836 -2.399 -3.461 310 HB3 GLN 47 2HB GLN 47 -15.393 0.160 -3.229 311 HG3 GLN 47 2HG GLN 47 -17.630 -0.219 -1.413 312 HE21 GLN 47 1HE2 GLN 47 -19.612 0.885 -2.894 313 HE22 GLN 47 2HE2 GLN 47 -19.164 2.448 -3.489 314 H SER 48 H SER 48 -13.389 -1.909 -4.260 315 HA SER 48 HA SER 48 -14.163 -1.048 -6.914 316 HB3 SER 48 2HB SER 48 -11.323 -1.300 -5.868 317 HG SER 48 HG SER 48 -11.873 0.918 -7.361 318 H GLY 49 H GLY 49 -11.847 -3.384 -5.341 319 HA2 GLY 49 1HA GLY 49 -11.712 -5.649 -5.837 320 HA3 GLY 49 2HA GLY 49 -12.585 -5.393 -7.336 321 H LEU 50 H LEU 50 -10.354 -6.942 -7.525 322 HA LEU 50 HA LEU 50 -7.908 -5.759 -7.808 323 HB3 LEU 50 2HB LEU 50 -8.665 -7.787 -9.829 324 HG LEU 50 HG LEU 50 -6.736 -8.962 -9.108 325 HD11 LEU 50 1HD1 LEU 50 -6.583 -6.187 -9.854 326 HD12 LEU 50 2HD1 LEU 50 -5.196 -6.619 -8.825 327 HD13 LEU 50 3HD1 LEU 50 -5.526 -7.545 -10.309 328 HD21 LEU 50 3HD2 LEU 50 -6.573 -7.078 -6.740 329 HD22 LEU 50 1HD2 LEU 50 -7.071 -8.786 -6.695 330 HD23 LEU 50 2HD2 LEU 50 -5.404 -8.356 -7.147 331 HA PRO 51 HA PRO 51 -8.922 -2.996 -11.080 332 HB3 PRO 51 2HB PRO 51 -8.340 -1.122 -9.875 333 HG3 PRO 51 2HG PRO 51 -7.155 -1.548 -7.944 334 HD3 PRO 51 2HD PRO 51 -7.825 -3.707 -7.522 335 H ALA 52 H ALA 52 -7.510 -1.896 -12.923 336 HA ALA 52 HA ALA 52 -5.997 -4.176 -13.970 337 HB1 ALA 52 1HB ALA 52 -6.873 -3.657 -15.999 338 HB2 ALA 52 2HB ALA 52 -8.069 -2.733 -15.058 339 HB3 ALA 52 3HB ALA 52 -6.653 -1.909 -15.754 340 H LYS 53 H LYS 53 -5.604 -1.194 -12.388 341 HA LYS 53 HA LYS 53 -3.210 -0.451 -13.833 342 HB3 LYS 53 2HB LYS 53 -4.526 1.389 -13.184 343 HG3 LYS 53 2HG LYS 53 -4.866 -0.178 -10.643 344 HD3 LYS 53 2HD LYS 53 -3.863 2.422 -10.448 345 HE3 LYS 53 2HE LYS 53 -6.903 2.484 -10.127 346 HZ1 LYS 53 2HZ LYS 53 -6.590 4.480 -9.099 347 HZ3 LYS 53 1HZ LYS 53 -5.262 4.879 -9.954 348 H LEU 54 H LEU 54 -4.149 -2.585 -11.300 349 HA LEU 54 HA LEU 54 -1.331 -2.883 -10.590 350 HB3 LEU 54 2HB LEU 54 -1.977 -3.213 -8.228 351 HG LEU 54 HG LEU 54 -2.309 -0.560 -9.546 352 HD11 LEU 54 1HD1 LEU 54 -2.667 0.387 -7.153 353 HD12 LEU 54 2HD1 LEU 54 -4.067 -0.198 -8.085 354 HD13 LEU 54 3HD1 LEU 54 -3.358 -1.218 -6.808 355 HD21 LEU 54 3HD2 LEU 54 -0.095 -1.492 -8.935 356 HD22 LEU 54 1HD2 LEU 54 -0.455 0.054 -8.129 357 HD23 LEU 54 2HD2 LEU 54 -0.590 -1.473 -7.225 358 H ARG 55 H ARG 55 -2.720 -4.330 -12.561 359 HA ARG 55 HA ARG 55 -3.482 -6.759 -11.187 360 HB3 ARG 55 2HB ARG 55 -3.603 -6.437 -14.196 361 HG3 ARG 55 2HG ARG 55 -5.898 -7.454 -12.585 362 HD3 ARG 55 2HD ARG 55 -4.450 -8.081 -15.150 363 HE ARG 55 HE ARG 55 -4.592 -10.351 -14.518 364 HH11 ARG 55 2HH2 ARG 55 -7.628 -8.696 -13.743 365 HH12 ARG 55 1HH2 ARG 55 -8.484 -10.163 -13.404 366 HH22 ARG 55 1HH ARG 55 -7.344 -12.262 -13.603 367 H HIS 56 H HIS 56 -2.567 -8.866 -11.960 368 HA HIS 56 HA HIS 56 -0.437 -8.959 -13.758 369 HB3 HIS 56 2HB HIS 56 0.620 -9.342 -10.984 370 HD1 HIS 56 1HD HIS 56 2.903 -10.260 -11.340 371 HD2 HIS 56 2HD HIS 56 1.760 -7.671 -14.437 372 HE1 HIS 56 1HE HIS 56 4.872 -10.170 -12.961 373 H GLU 57 H GLU 57 0.993 -11.119 -12.255 374 HA GLU 57 HA GLU 57 -1.064 -13.110 -12.653 375 HB3 GLU 57 2HB GLU 57 1.389 -14.405 -12.129 376 HG3 GLU 57 2HG GLU 57 -0.067 -13.614 -14.685 377 HE2 GLU 57 HE GLU 57 1.431 -15.655 -16.595 378 H GLN 58 H GLN 58 1.519 -12.218 -10.260 379 HA GLN 58 HA GLN 58 -0.228 -13.318 -8.218 380 HB3 GLN 58 2HB GLN 58 1.605 -14.463 -7.113 381 HG3 GLN 58 2HG GLN 58 0.641 -15.195 -9.663 382 HE21 GLN 58 1HE2 GLN 58 2.983 -17.378 -9.360 383 HE22 GLN 58 2HE2 GLN 58 4.118 -16.875 -10.568 384 H ILE 59 H ILE 59 -0.758 -11.581 -6.963 385 HA ILE 59 HA ILE 59 1.201 -9.444 -6.700 386 HB ILE 59 HB ILE 59 -0.637 -8.144 -5.820 387 HG13 ILE 59 2HG1 ILE 59 -1.722 -10.527 -4.991 388 HG21 ILE 59 1HG2 ILE 59 -0.300 -8.922 -8.410 389 HG22 ILE 59 2HG2 ILE 59 -2.010 -9.332 -8.140 390 HG23 ILE 59 3HG2 ILE 59 -1.439 -7.670 -7.861 391 HD11 ILE 59 3HD1 ILE 59 -2.682 -8.908 -3.726 392 HD12 ILE 59 1HD1 ILE 59 -2.402 -7.682 -4.985 393 HD13 ILE 59 2HD1 ILE 59 -3.865 -8.692 -5.038 394 H ILE 60 H ILE 60 2.147 -8.835 -4.749 395 HA ILE 60 HA ILE 60 1.494 -10.554 -2.461 396 HB ILE 60 HB ILE 60 3.605 -11.179 -3.754 397 HG13 ILE 60 2HG1 ILE 60 3.062 -11.996 -1.505 398 HG21 ILE 60 1HG2 ILE 60 4.216 -8.601 -3.804 399 HG22 ILE 60 2HG2 ILE 60 4.998 -9.005 -2.256 400 HG23 ILE 60 3HG2 ILE 60 5.469 -9.864 -3.742 401 HD11 ILE 60 3HD1 ILE 60 5.851 -11.365 -2.377 402 HD12 ILE 60 1HD1 ILE 60 5.653 -11.858 -0.678 403 HD13 ILE 60 2HD1 ILE 60 5.109 -12.935 -1.987 404 H PHE 61 H PHE 61 1.034 -9.452 -0.621 405 HA PHE 61 HA PHE 61 2.095 -6.751 -0.367 406 HB3 PHE 61 2HB PHE 61 -0.136 -6.456 -1.359 407 HD1 PHE 61 1HD PHE 61 -1.281 -7.781 1.896 408 HD2 PHE 61 2HD PHE 61 -1.358 -8.243 -2.321 409 HE1 PHE 61 1HE PHE 61 -3.116 -9.478 2.116 410 HE2 PHE 61 2HE PHE 61 -3.194 -9.940 -2.102 411 HZ PHE 61 HZ PHE 61 -4.052 -10.536 0.114 412 H HIS 62 H HIS 62 0.773 -5.980 1.959 413 HA HIS 62 HA HIS 62 1.002 -8.188 3.812 414 HB3 HIS 62 2HB HIS 62 2.453 -5.939 4.900 415 HD1 HIS 62 1HD HIS 62 5.248 -7.190 4.905 416 HD2 HIS 62 2HD HIS 62 1.719 -9.416 5.338 417 HE1 HIS 62 1HE HIS 62 5.910 -9.355 6.084 418 H CYS 63 H CYS 63 0.290 -7.450 6.078 419 HA CYS 63 HA CYS 63 -2.109 -5.972 5.739 420 HB3 CYS 63 2HB CYS 63 -1.529 -6.383 8.510 421 HG CYS 63 HG CYS 63 -3.279 -8.648 7.906 422 H GLN 64 H GLN 64 0.652 -5.579 8.087 423 HA GLN 64 HA GLN 64 1.055 -2.901 7.348 424 HB3 GLN 64 2HB GLN 64 0.128 -2.920 10.175 425 HG3 GLN 64 2HG GLN 64 -0.611 -1.092 7.850 426 HE21 GLN 64 1HE2 GLN 64 -2.622 -1.249 9.196 427 HE22 GLN 64 2HE2 GLN 64 -2.779 -0.179 10.548 428 H ALA 65 H ALA 65 1.118 -4.764 10.479 429 HA ALA 65 HA ALA 65 3.688 -5.627 10.408 430 HB1 ALA 65 1HB ALA 65 4.977 -3.783 10.460 431 HB2 ALA 65 2HB ALA 65 3.564 -2.728 10.700 432 HB3 ALA 65 3HB ALA 65 4.355 -3.487 12.101 433 H GLY 66 H GLY 66 2.344 -7.225 11.499 434 HA2 GLY 66 1HA GLY 66 2.616 -7.212 14.280 435 HA3 GLY 66 2HA GLY 66 0.983 -6.696 13.908 436 H LYS 67 H LYS 67 1.036 -8.988 15.267 437 HA LYS 67 HA LYS 67 1.335 -11.266 13.568 438 HB3 LYS 67 2HB LYS 67 -0.038 -11.190 16.257 439 HG3 LYS 67 2HG LYS 67 1.745 -13.253 14.881 440 HD3 LYS 67 2HD LYS 67 -0.073 -13.565 17.309 441 HE3 LYS 67 2HE LYS 67 1.587 -15.555 17.619 442 HZ1 LYS 67 2HZ LYS 67 -0.691 -15.308 15.876 443 HZ3 LYS 67 1HZ LYS 67 -0.362 -16.468 16.972 444 H ARG 68 H ARG 68 -0.076 -10.312 11.814 445 HA ARG 68 HA ARG 68 -2.464 -11.628 11.778 446 HB3 ARG 68 2HB ARG 68 -3.541 -8.955 11.667 447 HG3 ARG 68 2HG ARG 68 -3.901 -11.248 13.653 448 HD3 ARG 68 2HD ARG 68 -4.823 -8.557 13.854 449 HE ARG 68 HE ARG 68 -6.760 -8.777 12.512 450 HH11 ARG 68 2HH2 ARG 68 -6.470 -11.551 14.696 451 HH12 ARG 68 1HH2 ARG 68 -8.073 -12.125 14.381 452 HH22 ARG 68 1HH ARG 68 -9.470 -10.924 12.848 453 H THR 69 H THR 69 -1.291 -12.037 9.730 454 HA THR 69 HA THR 69 -1.626 -9.822 7.814 455 HB THR 69 HB THR 69 0.382 -10.857 6.663 456 HG1 THR 69 1HG THR 69 -0.106 -12.970 7.817 457 HG21 THR 69 3HG2 THR 69 1.631 -10.628 9.278 458 HG22 THR 69 1HG2 THR 69 1.707 -9.482 7.917 459 HG23 THR 69 2HG2 THR 69 0.395 -9.358 9.114 460 H SER 70 H SER 70 -2.820 -12.782 8.851 461 HA SER 70 HA SER 70 -3.136 -14.064 6.391 462 HB3 SER 70 2HB SER 70 -5.142 -14.415 8.614 463 HG SER 70 HG SER 70 -5.101 -15.862 6.755 464 H ASN 71 H ASN 71 -5.354 -12.000 8.401 465 HA ASN 71 HA ASN 71 -7.241 -11.015 7.936 466 HB3 ASN 71 2HB ASN 71 -7.042 -10.074 5.299 467 HD21 ASN 71 1HD2 ASN 71 -7.019 -7.893 5.299 468 HD22 ASN 71 2HD2 ASN 71 -6.807 -6.902 6.704 469 H ASN 72 H ASN 72 -6.967 -13.934 7.132 470 HA ASN 72 HA ASN 72 -8.196 -15.474 6.225 471 HB3 ASN 72 2HB ASN 72 -10.342 -14.297 4.836 472 HD21 ASN 72 1HD2 ASN 72 -10.538 -13.489 8.139 473 HD22 ASN 72 2HD2 ASN 72 -11.293 -14.927 8.741 474 H ALA 73 H ALA 73 -6.092 -15.170 4.733 475 HA ALA 73 HA ALA 73 -6.109 -13.937 2.310 476 HB1 ALA 73 1HB ALA 73 -4.114 -14.956 3.110 477 HB2 ALA 73 2HB ALA 73 -4.894 -16.548 3.264 478 HB3 ALA 73 3HB ALA 73 -4.556 -15.875 1.651 479 H ASP 74 H ASP 74 -7.795 -16.913 3.324 480 HA ASP 74 HA ASP 74 -8.314 -18.076 0.964 481 HB3 ASP 74 2HB ASP 74 -10.608 -17.693 2.892 482 HD2 ASP 74 HD ASP 74 -10.385 -19.478 0.136 483 H LYS 75 H LYS 75 -10.130 -15.366 2.574 484 HA LYS 75 HA LYS 75 -11.995 -15.079 0.466 485 HB3 LYS 75 2HB LYS 75 -11.398 -12.816 2.316 486 HG3 LYS 75 2HG LYS 75 -13.447 -13.352 0.606 487 HD3 LYS 75 2HD LYS 75 -13.868 -15.398 2.330 488 HE3 LYS 75 2HE LYS 75 -15.262 -12.965 3.537 489 HZ1 LYS 75 2HZ LYS 75 -15.774 -15.829 4.135 490 HZ3 LYS 75 1HZ LYS 75 -16.785 -14.900 3.259 491 H LEU 76 H LEU 76 -8.965 -13.336 1.410 492 HA LEU 76 HA LEU 76 -9.028 -11.395 -0.530 493 HB3 LEU 76 2HB LEU 76 -6.557 -11.372 -0.273 494 HG LEU 76 HG LEU 76 -8.028 -11.670 2.362 495 HD11 LEU 76 1HD1 LEU 76 -5.950 -9.831 2.652 496 HD12 LEU 76 2HD1 LEU 76 -6.026 -11.484 3.307 497 HD13 LEU 76 3HD1 LEU 76 -5.236 -11.183 1.740 498 HD21 LEU 76 3HD2 LEU 76 -7.486 -8.955 1.717 499 HD22 LEU 76 1HD2 LEU 76 -8.269 -9.703 0.305 500 HD23 LEU 76 2HD2 LEU 76 -9.059 -9.765 1.899 501 H ALA 77 H ALA 77 -7.922 -14.817 -0.735 502 HA ALA 77 HA ALA 77 -6.774 -14.720 -3.236 503 HB1 ALA 77 1HB ALA 77 -6.969 -16.611 -1.436 504 HB2 ALA 77 2HB ALA 77 -8.455 -17.054 -2.309 505 HB3 ALA 77 3HB ALA 77 -6.889 -17.061 -3.156 506 H ALA 78 H ALA 78 -10.227 -15.396 -2.329 507 HA ALA 78 HA ALA 78 -11.054 -15.527 -5.039 508 HB1 ALA 78 1HB ALA 78 -12.860 -14.942 -2.684 509 HB2 ALA 78 2HB ALA 78 -13.185 -15.921 -4.135 510 HB3 ALA 78 3HB ALA 78 -12.097 -16.541 -2.870 511 H ILE 79 H ILE 79 -10.601 -12.964 -2.631 512 HA ILE 79 HA ILE 79 -12.245 -11.058 -3.918 513 HB ILE 79 HB ILE 79 -10.774 -11.285 -1.540 514 HG13 ILE 79 2HG1 ILE 79 -13.038 -10.461 -1.680 515 HG21 ILE 79 1HG2 ILE 79 -9.929 -8.809 -3.070 516 HG22 ILE 79 2HG2 ILE 79 -9.529 -9.219 -1.384 517 HG23 ILE 79 3HG2 ILE 79 -8.884 -10.207 -2.717 518 HD11 ILE 79 3HD1 ILE 79 -11.163 -9.439 -0.012 519 HD12 ILE 79 1HD1 ILE 79 -11.627 -7.947 -0.864 520 HD13 ILE 79 2HD1 ILE 79 -12.857 -8.893 0.006 521 H ALA 80 H ALA 80 -8.840 -12.105 -4.237 522 HA ALA 80 HA ALA 80 -8.542 -10.117 -6.381 523 HB1 ALA 80 1HB ALA 80 -6.830 -9.639 -4.887 524 HB2 ALA 80 2HB ALA 80 -6.668 -11.333 -4.365 525 HB3 ALA 80 3HB ALA 80 -6.024 -10.822 -5.944 526 H ALA 81 H ALA 81 -10.092 -12.459 -6.831 527 HA ALA 81 HA ALA 81 -8.248 -14.242 -8.233 528 HB1 ALA 81 1HB ALA 81 -10.809 -14.502 -6.838 529 HB2 ALA 81 2HB ALA 81 -10.849 -15.235 -8.460 530 HB3 ALA 81 3HB ALA 81 -9.623 -15.753 -7.280 531 HA PRO 82 HA PRO 82 -9.182 -15.862 -9.562 532 HB3 PRO 82 2HB PRO 82 -9.889 -16.904 -11.488 533 HG3 PRO 82 2HG PRO 82 -10.314 -15.484 -13.255 534 HD3 PRO 82 2HD PRO 82 -10.741 -13.534 -12.115 535 H ALA 83 H ALA 83 -7.413 -13.222 -10.286 536 HA ALA 83 HA ALA 83 -4.863 -14.122 -10.675 537 HB1 ALA 83 1HB ALA 83 -4.816 -11.861 -10.706 538 HB2 ALA 83 2HB ALA 83 -6.201 -11.729 -9.596 539 HB3 ALA 83 3HB ALA 83 -4.562 -11.977 -8.949 540 H GLU 84 H GLU 84 -3.035 -14.385 -9.140 541 HA GLU 84 HA GLU 84 -3.956 -15.934 -6.887 542 HB3 GLU 84 2HB GLU 84 -1.337 -16.386 -6.799 543 HG3 GLU 84 2HG GLU 84 -2.040 -17.729 -9.204 544 HE2 GLU 84 HE GLU 84 -2.547 -20.414 -7.921 545 H ILE 85 H ILE 85 -3.087 -15.616 -4.707 546 HA ILE 85 HA ILE 85 -2.069 -12.887 -4.312 547 HB ILE 85 HB ILE 85 -4.090 -14.438 -2.696 548 HG13 ILE 85 2HG1 ILE 85 -5.609 -12.649 -3.239 549 HG21 ILE 85 1HG2 ILE 85 -2.634 -13.388 -1.116 550 HG22 ILE 85 2HG2 ILE 85 -2.647 -11.862 -2.031 551 HG23 ILE 85 3HG2 ILE 85 -4.126 -12.424 -1.216 552 HD11 ILE 85 3HD1 ILE 85 -4.861 -10.595 -3.821 553 HD12 ILE 85 1HD1 ILE 85 -3.188 -11.204 -3.824 554 HD13 ILE 85 2HD1 ILE 85 -4.164 -11.276 -5.311 555 H PHE 86 H PHE 86 -0.891 -12.681 -2.126 556 HA PHE 86 HA PHE 86 0.209 -15.095 -1.078 557 HB3 PHE 86 2HB PHE 86 2.590 -13.920 -1.739 558 HD1 PHE 86 1HD PHE 86 0.733 -14.759 -4.779 559 HD2 PHE 86 2HD PHE 86 3.119 -16.283 -1.618 560 HE1 PHE 86 1HE PHE 86 1.064 -16.894 -6.058 561 HE2 PHE 86 2HE PHE 86 3.448 -18.419 -2.897 562 HZ PHE 86 HZ PHE 86 2.418 -18.697 -5.102 563 H LEU 87 H LEU 87 2.038 -14.503 0.575 564 HA LEU 87 HA LEU 87 1.379 -11.884 1.731 565 HB3 LEU 87 2HB LEU 87 1.590 -12.874 3.932 566 HG LEU 87 HG LEU 87 -0.318 -14.449 2.183 567 HD11 LEU 87 1HD1 LEU 87 -0.754 -15.766 3.911 568 HD12 LEU 87 2HD1 LEU 87 0.448 -14.909 4.905 569 HD13 LEU 87 3HD1 LEU 87 -1.237 -14.340 4.860 570 HD21 LEU 87 3HD2 LEU 87 -0.686 -11.973 3.887 571 HD22 LEU 87 1HD2 LEU 87 -0.822 -12.107 2.117 572 HD23 LEU 87 2HD2 LEU 87 -2.016 -12.910 3.165 573 H LEU 88 H LEU 88 3.139 -10.921 3.051 574 HA LEU 88 HA LEU 88 5.700 -11.567 1.811 575 HB3 LEU 88 2HB LEU 88 5.609 -9.217 3.522 576 HG LEU 88 HG LEU 88 6.726 -8.148 1.850 577 HD11 LEU 88 1HD1 LEU 88 8.394 -9.531 1.007 578 HD12 LEU 88 2HD1 LEU 88 7.785 -10.437 2.413 579 HD13 LEU 88 3HD1 LEU 88 7.283 -10.901 0.770 580 HD21 LEU 88 3HD2 LEU 88 4.597 -8.865 0.277 581 HD22 LEU 88 1HD2 LEU 88 6.017 -7.935 -0.261 582 HD23 LEU 88 2HD2 LEU 88 5.955 -9.695 -0.522 583 H GLU 89 H GLU 89 4.661 -13.435 3.719 584 HA GLU 89 HA GLU 89 5.587 -14.651 5.297 585 HB3 GLU 89 2HB GLU 89 7.484 -12.519 6.259 586 HG3 GLU 89 2HG GLU 89 8.012 -15.434 5.571 587 HE2 GLU 89 HE GLU 89 10.252 -14.079 8.477 588 H ASP 90 H ASP 90 6.005 -11.290 6.630 589 HA ASP 90 HA ASP 90 3.699 -10.944 7.870 590 HB3 ASP 90 2HB ASP 90 5.387 -12.944 9.367 591 HD2 ASP 90 HD ASP 90 5.684 -12.439 11.876 592 H GLY 91 H GLY 91 3.966 -8.790 8.486 593 HA2 GLY 91 1HA GLY 91 4.875 -7.035 9.646 594 HA3 GLY 91 2HA GLY 91 6.278 -8.002 10.053 595 H ILE 92 H ILE 92 4.977 -5.590 7.938 596 HA ILE 92 HA ILE 92 6.543 -5.924 5.676 597 HB ILE 92 HB ILE 92 6.035 -3.637 5.194 598 HG13 ILE 92 2HG1 ILE 92 5.674 -3.419 8.155 599 HG21 ILE 92 1HG2 ILE 92 4.074 -4.566 4.667 600 HG22 ILE 92 2HG2 ILE 92 4.011 -5.516 6.171 601 HG23 ILE 92 3HG2 ILE 92 3.464 -3.821 6.164 602 HD11 ILE 92 3HD1 ILE 92 7.245 -2.206 5.996 603 HD12 ILE 92 1HD1 ILE 92 6.400 -0.977 6.968 604 HD13 ILE 92 2HD1 ILE 92 7.502 -2.133 7.756 605 H ASP 93 H ASP 93 7.365 -4.931 8.941 606 HA ASP 93 HA ASP 93 9.425 -3.304 8.709 607 HB3 ASP 93 2HB ASP 93 10.408 -5.390 10.392 608 HD2 ASP 93 HD ASP 93 11.137 -4.077 12.124 609 H GLY 94 H GLY 94 9.224 -6.684 7.610 610 HA2 GLY 94 1HA GLY 94 11.828 -7.484 7.395 611 HA3 GLY 94 2HA GLY 94 10.558 -7.894 6.259 612 H TRP 95 H TRP 95 10.047 -5.085 5.404 613 HA TRP 95 HA TRP 95 11.887 -4.978 3.294 614 HB3 TRP 95 2HB TRP 95 9.821 -3.058 4.355 615 HD1 TRP 95 HD TRP 95 10.073 -0.594 3.553 616 HE1 TRP 95 1HE TRP 95 11.259 0.758 1.623 617 HE3 TRP 95 3HE TRP 95 12.096 -4.648 1.245 618 HZ2 TRP 95 2HZ TRP 95 12.875 -0.003 -0.603 619 HZ3 TRP 95 3HZ TRP 95 13.465 -4.256 -0.802 620 HH2 TRP 95 HH TRP 95 13.866 -2.030 -1.729 621 H LYS 96 H LYS 96 11.358 -2.621 6.024 622 HA LYS 96 HA LYS 96 13.778 -1.292 5.600 623 HB3 LYS 96 2HB LYS 96 11.764 -0.413 6.803 624 HG3 LYS 96 2HG LYS 96 12.698 -2.483 8.789 625 HD3 LYS 96 2HD LYS 96 11.137 -0.944 10.382 626 HE3 LYS 96 2HE LYS 96 13.325 0.068 11.281 627 HZ1 LYS 96 2HZ LYS 96 14.186 -2.144 11.870 628 HZ3 LYS 96 1HZ LYS 96 13.259 -2.852 10.732 629 H LYS 97 H LYS 97 13.068 -4.407 6.928 630 HA LYS 97 HA LYS 97 15.139 -4.581 8.809 631 HB3 LYS 97 2HB LYS 97 14.035 -6.894 7.212 632 HG3 LYS 97 2HG LYS 97 14.090 -7.605 9.852 633 HD3 LYS 97 2HD LYS 97 16.212 -7.769 7.689 634 HE3 LYS 97 2HE LYS 97 16.345 -9.211 10.375 635 HZ1 LYS 97 2HZ LYS 97 18.519 -9.821 9.537 636 HZ3 LYS 97 1HZ LYS 97 18.335 -8.929 8.187 637 H ALA 98 H ALA 98 15.196 -4.206 5.405 638 HA ALA 98 HA ALA 98 17.891 -5.374 5.300 639 HB1 ALA 98 1HB ALA 98 16.686 -4.728 2.724 640 HB2 ALA 98 2HB ALA 98 17.318 -6.281 3.322 641 HB3 ALA 98 3HB ALA 98 15.639 -5.809 3.675 642 H GLY 99 H GLY 99 16.934 -2.683 6.373 643 HA2 GLY 99 1HA GLY 99 17.676 -0.563 6.344 644 HA3 GLY 99 2HA GLY 99 19.003 -1.103 5.335 645 H LEU 100 H LEU 100 15.460 -1.257 4.624 646 HA LEU 100 HA LEU 100 15.852 0.808 2.595 647 HB3 LEU 100 2HB LEU 100 14.754 -0.498 0.908 648 HG LEU 100 HG LEU 100 17.188 -1.653 2.159 649 HD11 LEU 100 1HD1 LEU 100 16.010 -3.203 -0.117 650 HD12 LEU 100 2HD1 LEU 100 17.212 -3.692 1.102 651 HD13 LEU 100 3HD1 LEU 100 15.495 -3.563 1.547 652 HD21 LEU 100 3HD2 LEU 100 16.442 -0.122 -0.180 653 HD22 LEU 100 1HD2 LEU 100 18.042 -0.377 0.556 654 HD23 LEU 100 2HD2 LEU 100 17.413 -1.545 -0.630 655 HA PRO 101 HA PRO 101 12.191 1.785 4.878 656 HB3 PRO 101 2HB PRO 101 13.095 3.640 5.898 657 HG3 PRO 101 2HG PRO 101 15.111 4.336 5.020 658 HD3 PRO 101 2HD PRO 101 15.854 2.367 4.091 659 H VAL 102 H VAL 102 10.301 3.511 4.322 660 HA VAL 102 HA VAL 102 9.515 2.600 1.679 661 HB VAL 102 HB VAL 102 7.316 3.565 2.370 662 HG11 VAL 102 1HG1 VAL 102 8.373 1.154 2.923 663 HG12 VAL 102 2HG1 VAL 102 8.061 1.716 4.583 664 HG13 VAL 102 3HG1 VAL 102 6.726 1.626 3.407 665 HG21 VAL 102 3HG2 VAL 102 7.021 4.781 4.234 666 HG22 VAL 102 1HG2 VAL 102 8.010 3.676 5.218 667 HG23 VAL 102 2HG2 VAL 102 8.792 4.951 4.254 668 H ALA 103 H ALA 103 7.939 4.523 0.647 669 HA ALA 103 HA ALA 103 9.874 6.538 -0.060 670 HB1 ALA 103 1HB ALA 103 8.757 6.465 -2.009 671 HB2 ALA 103 2HB ALA 103 7.730 5.187 -1.314 672 HB3 ALA 103 3HB ALA 103 7.228 6.891 -1.201 673 H VAL 104 H VAL 104 10.156 8.162 1.412 674 HA VAL 104 HA VAL 104 7.747 9.216 2.699 675 HB VAL 104 HB VAL 104 10.363 10.203 3.573 676 HG11 VAL 104 1HG1 VAL 104 7.959 8.957 4.937 677 HG12 VAL 104 2HG1 VAL 104 9.399 9.543 5.802 678 HG13 VAL 104 3HG1 VAL 104 8.398 10.679 4.864 679 HG21 VAL 104 3HG2 VAL 104 9.781 7.245 3.555 680 HG22 VAL 104 1HG2 VAL 104 11.287 8.100 3.149 681 HG23 VAL 104 2HG2 VAL 104 10.762 7.978 4.845 682 H ASN 105 H ASN 105 8.210 11.767 3.221 683 HA ASN 105 HA ASN 105 7.847 13.011 0.806 684 HB3 ASN 105 2HB ASN 105 8.576 15.122 2.318 685 HD21 ASN 105 1HD2 ASN 105 6.844 15.987 3.778 686 HD22 ASN 105 2HD2 ASN 105 5.202 15.545 3.441 687 H LYS 106 H LYS 106 9.363 13.497 -0.788 688 HA LYS 106 HA LYS 106 12.033 12.953 -0.598 689 HB3 LYS 106 2HB LYS 106 12.240 14.451 -2.613 690 HG3 LYS 106 2HG LYS 106 10.262 12.210 -2.287 691 HD3 LYS 106 2HD LYS 106 10.620 13.191 -5.076 692 HE3 LYS 106 2HE LYS 106 8.172 12.273 -3.491 693 HZ1 LYS 106 2HZ LYS 106 8.481 13.294 -6.103 694 HZ3 LYS 106 1HZ LYS 106 7.113 12.763 -5.393 695 H SER 107 H SER 107 13.792 14.823 -1.057 696 HA SER 107 HA SER 107 13.604 16.461 1.313 697 HB3 SER 107 2HB SER 107 15.641 15.209 1.192 698 HG SER 107 HG SER 107 17.077 15.710 -0.774 699 H GLN 108 H GLN 108 13.354 18.688 1.237 700 HA GLN 108 HA GLN 108 12.346 19.969 -0.843 701 HB3 GLN 108 2HB GLN 108 14.344 21.316 1.020 702 HG3 GLN 108 2HG GLN 108 13.229 22.681 -0.812 703 HE21 GLN 108 1HE2 GLN 108 10.875 22.854 1.756 704 HE22 GLN 108 2HE2 GLN 108 9.463 22.476 0.828 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -4.109 -18.306 -4.579 2 HA ALA 1 HA ALA 1 -3.208 -20.817 -3.907 3 HB1 ALA 1 1HB ALA 1 -1.447 -19.403 -5.945 4 HB2 ALA 1 2HB ALA 1 -0.883 -20.725 -4.894 5 HB3 ALA 1 3HB ALA 1 -2.177 -21.021 -6.079 6 H LEU 2 H LEU 2 -3.442 -19.924 -1.833 7 HA LEU 2 HA LEU 2 -2.066 -17.482 -1.201 8 HB3 LEU 2 2HB LEU 2 -4.174 -19.090 -0.103 9 HG LEU 2 HG LEU 2 -2.553 -19.794 1.619 10 HD11 LEU 2 1HD1 LEU 2 -0.856 -18.337 1.915 11 HD12 LEU 2 2HD1 LEU 2 -1.866 -16.913 1.566 12 HD13 LEU 2 3HD1 LEU 2 -1.932 -17.678 3.172 13 HD21 LEU 2 3HD2 LEU 2 -4.553 -19.763 2.660 14 HD22 LEU 2 1HD2 LEU 2 -3.830 -18.400 3.547 15 HD23 LEU 2 2HD2 LEU 2 -4.911 -18.090 2.168 16 H THR 3 H THR 3 0.110 -17.476 -1.013 17 HA THR 3 HA THR 3 1.298 -19.667 0.545 18 HB THR 3 HB THR 3 2.717 -18.427 -1.835 19 HG1 THR 3 1HG THR 3 1.445 -19.735 -3.156 20 HG21 THR 3 3HG2 THR 3 2.845 -20.964 -0.197 21 HG22 THR 3 1HG2 THR 3 3.270 -21.061 -1.922 22 HG23 THR 3 2HG2 THR 3 4.177 -19.975 -0.843 23 H THR 4 H THR 4 3.543 -19.062 1.354 24 HA THR 4 HA THR 4 3.844 -16.186 1.730 25 HB THR 4 HB THR 4 2.387 -16.879 3.599 26 HG1 THR 4 1HG THR 4 5.225 -16.815 4.346 27 HG21 THR 4 3HG2 THR 4 4.431 -19.108 3.808 28 HG22 THR 4 1HG2 THR 4 3.692 -18.478 5.301 29 HG23 THR 4 2HG2 THR 4 2.665 -19.181 4.029 30 H ILE 5 H ILE 5 5.948 -15.514 1.969 31 HA ILE 5 HA ILE 5 7.969 -17.533 2.441 32 HB ILE 5 HB ILE 5 9.207 -16.610 0.370 33 HG13 ILE 5 2HG1 ILE 5 7.299 -14.892 0.010 34 HG21 ILE 5 1HG2 ILE 5 6.886 -18.523 0.003 35 HG22 ILE 5 2HG2 ILE 5 8.363 -18.426 -0.984 36 HG23 ILE 5 3HG2 ILE 5 8.462 -18.942 0.717 37 HD11 ILE 5 3HD1 ILE 5 7.585 -15.081 -2.490 38 HD12 ILE 5 1HD1 ILE 5 9.123 -15.154 -1.597 39 HD13 ILE 5 2HD1 ILE 5 8.394 -16.646 -2.236 40 H SER 6 H SER 6 10.252 -16.143 2.045 41 HA SER 6 HA SER 6 10.072 -14.230 4.105 42 HB3 SER 6 2HB SER 6 12.573 -14.145 2.583 43 HG SER 6 HG SER 6 13.299 -14.134 4.592 44 HA PRO 7 HA PRO 7 9.799 -10.592 1.732 45 HB3 PRO 7 2HB PRO 7 9.668 -9.248 3.597 46 HG3 PRO 7 2HG PRO 7 10.631 -10.135 5.494 47 HD3 PRO 7 2HD PRO 7 10.522 -12.378 4.997 48 H HIS 8 H HIS 8 13.116 -11.349 2.590 49 HA HIS 8 HA HIS 8 14.335 -9.765 0.708 50 HB3 HIS 8 2HB HIS 8 15.998 -11.912 0.817 51 HD1 HIS 8 1HD HIS 8 18.153 -11.074 1.827 52 HD2 HIS 8 2HD HIS 8 14.785 -9.078 3.331 53 HE1 HIS 8 1HE HIS 8 19.039 -9.165 3.270 54 H ASP 9 H ASP 9 13.146 -13.178 0.410 55 HA ASP 9 HA ASP 9 13.936 -13.389 -2.261 56 HB3 ASP 9 2HB ASP 9 12.885 -15.499 -2.209 57 HD2 ASP 9 HD ASP 9 14.889 -14.349 -0.131 58 H ALA 10 H ALA 10 10.838 -12.610 -0.548 59 HA ALA 10 HA ALA 10 9.193 -12.503 -2.791 60 HB1 ALA 10 1HB ALA 10 8.172 -12.591 -0.659 61 HB2 ALA 10 2HB ALA 10 9.141 -11.229 -0.043 62 HB3 ALA 10 3HB ALA 10 7.848 -10.936 -1.231 63 H GLN 11 H GLN 11 11.681 -10.324 -1.574 64 HA GLN 11 HA GLN 11 10.701 -8.045 -2.908 65 HB3 GLN 11 2HB GLN 11 13.580 -8.555 -2.064 66 HG3 GLN 11 2HG GLN 11 12.578 -6.389 -3.337 67 HE21 GLN 11 1HE2 GLN 11 11.502 -4.549 -3.048 68 HE22 GLN 11 2HE2 GLN 11 10.690 -4.061 -1.597 69 H GLU 12 H GLU 12 11.868 -10.947 -4.099 70 HA GLU 12 HA GLU 12 13.318 -9.707 -6.276 71 HB3 GLU 12 2HB GLU 12 12.944 -12.614 -5.443 72 HG3 GLU 12 2HG GLU 12 13.889 -11.409 -7.990 73 HE2 GLU 12 HE GLU 12 16.354 -12.968 -8.898 74 H LEU 13 H LEU 13 10.276 -11.354 -5.464 75 HA LEU 13 HA LEU 13 9.533 -11.815 -8.180 76 HB3 LEU 13 2HB LEU 13 7.676 -12.824 -7.337 77 HG LEU 13 HG LEU 13 9.273 -12.791 -4.765 78 HD11 LEU 13 1HD1 LEU 13 7.195 -14.659 -5.914 79 HD12 LEU 13 2HD1 LEU 13 8.283 -15.118 -4.582 80 HD13 LEU 13 3HD1 LEU 13 7.153 -13.758 -4.379 81 HD21 LEU 13 3HD2 LEU 13 9.679 -14.450 -7.262 82 HD22 LEU 13 1HD2 LEU 13 10.842 -13.372 -6.456 83 HD23 LEU 13 2HD2 LEU 13 10.338 -14.885 -5.666 84 H ILE 14 H ILE 14 8.648 -9.402 -5.625 85 HA ILE 14 HA ILE 14 6.884 -7.967 -7.247 86 HB ILE 14 HB ILE 14 8.497 -7.203 -4.815 87 HG13 ILE 14 2HG1 ILE 14 6.418 -8.974 -5.034 88 HG21 ILE 14 1HG2 ILE 14 6.123 -5.663 -5.862 89 HG22 ILE 14 2HG2 ILE 14 7.309 -5.194 -4.620 90 HG23 ILE 14 3HG2 ILE 14 7.793 -5.261 -6.333 91 HD11 ILE 14 3HD1 ILE 14 7.596 -7.274 -2.869 92 HD12 ILE 14 1HD1 ILE 14 6.037 -8.053 -2.506 93 HD13 ILE 14 2HD1 ILE 14 7.443 -9.044 -2.968 94 H ALA 15 H ALA 15 10.436 -7.791 -6.752 95 HA ALA 15 HA ALA 15 10.696 -5.431 -8.336 96 HB1 ALA 15 1HB ALA 15 13.132 -5.957 -8.115 97 HB2 ALA 15 2HB ALA 15 12.278 -5.939 -6.552 98 HB3 ALA 15 3HB ALA 15 12.696 -7.490 -7.321 99 H ARG 16 H ARG 16 9.821 -8.584 -9.086 100 HA ARG 16 HA ARG 16 11.316 -8.586 -11.560 101 HB3 ARG 16 2HB ARG 16 9.690 -10.866 -11.568 102 HG3 ARG 16 2HG ARG 16 12.460 -10.529 -10.318 103 HD3 ARG 16 2HD ARG 16 10.743 -12.844 -10.586 104 HE ARG 16 HE ARG 16 12.217 -12.727 -12.881 105 HH11 ARG 16 2HH2 ARG 16 12.587 -14.730 -9.981 106 HH12 ARG 16 1HH2 ARG 16 13.314 -16.049 -10.835 107 HH22 ARG 16 1HH ARG 16 13.651 -15.874 -13.201 108 H GLY 17 H GLY 17 8.212 -7.779 -10.210 109 HA2 GLY 17 1HA GLY 17 7.089 -6.480 -12.230 110 HA3 GLY 17 2HA GLY 17 6.759 -8.131 -12.712 111 H ALA 18 H ALA 18 6.609 -9.126 -9.870 112 HA ALA 18 HA ALA 18 3.925 -9.060 -9.478 113 HB1 ALA 18 1HB ALA 18 4.552 -10.455 -7.832 114 HB2 ALA 18 2HB ALA 18 6.245 -9.993 -8.131 115 HB3 ALA 18 3HB ALA 18 5.281 -9.109 -6.924 116 H LYS 19 H LYS 19 2.422 -7.755 -8.412 117 HA LYS 19 HA LYS 19 3.365 -5.050 -7.905 118 HB3 LYS 19 2HB LYS 19 0.801 -4.680 -7.753 119 HG3 LYS 19 2HG LYS 19 1.098 -5.482 -10.501 120 HD3 LYS 19 2HD LYS 19 0.330 -3.232 -9.099 121 HE3 LYS 19 2HE LYS 19 3.181 -2.930 -9.852 122 HZ1 LYS 19 2HZ LYS 19 1.936 -0.437 -10.309 123 HZ3 LYS 19 1HZ LYS 19 1.331 -1.507 -11.376 124 H LEU 20 H LEU 20 2.605 -3.884 -5.947 125 HA LEU 20 HA LEU 20 2.155 -5.728 -3.710 126 HB3 LEU 20 2HB LEU 20 4.007 -3.346 -3.634 127 HG LEU 20 HG LEU 20 2.963 -5.033 -1.561 128 HD11 LEU 20 1HD1 LEU 20 4.642 -6.333 -0.829 129 HD12 LEU 20 2HD1 LEU 20 5.205 -6.243 -2.515 130 HD13 LEU 20 3HD1 LEU 20 5.898 -5.158 -1.287 131 HD21 LEU 20 3HD2 LEU 20 3.695 -2.493 -1.738 132 HD22 LEU 20 1HD2 LEU 20 3.703 -3.367 -0.188 133 HD23 LEU 20 2HD2 LEU 20 5.222 -3.138 -1.088 134 H ILE 21 H ILE 21 0.354 -5.233 -2.581 135 HA ILE 21 HA ILE 21 -0.655 -2.490 -2.885 136 HB ILE 21 HB ILE 21 -2.052 -5.145 -2.771 137 HG13 ILE 21 2HG1 ILE 21 -1.929 -2.829 -4.693 138 HG21 ILE 21 1HG2 ILE 21 -3.411 -4.129 -1.243 139 HG22 ILE 21 2HG2 ILE 21 -3.054 -2.490 -1.837 140 HG23 ILE 21 3HG2 ILE 21 -4.160 -3.546 -2.749 141 HD11 ILE 21 3HD1 ILE 21 -0.370 -4.687 -5.069 142 HD12 ILE 21 1HD1 ILE 21 -1.696 -5.865 -4.922 143 HD13 ILE 21 2HD1 ILE 21 -1.654 -4.740 -6.301 144 H ASP 22 H ASP 22 -1.610 -1.487 -1.009 145 HA ASP 22 HA ASP 22 -0.849 -2.837 1.459 146 HB3 ASP 22 2HB ASP 22 -0.880 0.157 1.401 147 HD2 ASP 22 HD ASP 22 1.909 0.113 1.823 148 H ILE 23 H ILE 23 -2.751 -3.232 2.600 149 HA ILE 23 HA ILE 23 -5.068 -1.587 2.015 150 HB ILE 23 HB ILE 23 -6.335 -3.277 3.091 151 HG13 ILE 23 2HG1 ILE 23 -4.151 -3.615 4.758 152 HG21 ILE 23 1HG2 ILE 23 -4.304 -4.962 1.685 153 HG22 ILE 23 2HG2 ILE 23 -6.078 -4.958 1.557 154 HG23 ILE 23 3HG2 ILE 23 -5.128 -3.668 0.782 155 HD11 ILE 23 3HD1 ILE 23 -6.113 -5.842 4.762 156 HD12 ILE 23 1HD1 ILE 23 -5.717 -4.671 6.044 157 HD13 ILE 23 2HD1 ILE 23 -6.849 -4.220 4.745 158 H ARG 24 H ARG 24 -3.026 -0.117 3.242 159 HA ARG 24 HA ARG 24 -3.785 -0.065 6.029 160 HB3 ARG 24 2HB ARG 24 -1.405 0.012 5.753 161 HG3 ARG 24 2HG ARG 24 -1.982 2.086 3.595 162 HD3 ARG 24 2HD ARG 24 -0.012 2.680 5.183 163 HE ARG 24 HE ARG 24 0.741 0.064 4.891 164 HH11 ARG 24 2HH2 ARG 24 2.248 3.078 3.796 165 HH12 ARG 24 1HH2 ARG 24 3.859 2.442 3.864 166 HH22 ARG 24 1HH ARG 24 4.197 0.175 4.561 167 H ASP 25 H ASP 25 -3.507 2.556 6.787 168 HA ASP 25 HA ASP 25 -5.863 3.692 5.975 169 HB3 ASP 25 2HB ASP 25 -3.983 5.742 6.816 170 HD2 ASP 25 HD ASP 25 -4.707 4.472 9.560 171 H ALA 26 H ALA 26 -5.418 6.402 5.353 172 HA ALA 26 HA ALA 26 -4.161 6.190 2.709 173 HB1 ALA 26 1HB ALA 26 -6.335 6.810 2.261 174 HB2 ALA 26 2HB ALA 26 -6.543 7.621 3.831 175 HB3 ALA 26 3HB ALA 26 -5.635 8.424 2.528 176 H ASP 27 H ASP 27 -4.976 9.289 4.184 177 HA ASP 27 HA ASP 27 -2.370 10.202 3.814 178 HB3 ASP 27 2HB ASP 27 -4.955 11.247 4.658 179 HD2 ASP 27 HD ASP 27 -5.462 12.612 6.159 180 H GLU 28 H GLU 28 -4.135 8.660 6.472 181 HA GLU 28 HA GLU 28 -2.698 9.577 8.620 182 HB3 GLU 28 2HB GLU 28 -3.306 6.949 9.292 183 HG3 GLU 28 2HG GLU 28 -5.694 8.143 9.745 184 HE2 GLU 28 HE GLU 28 -3.981 10.285 11.792 185 H TYR 29 H TYR 29 -2.010 6.923 6.291 186 HA TYR 29 HA TYR 29 0.560 6.504 7.648 187 HB3 TYR 29 2HB TYR 29 -0.406 4.756 5.400 188 HD1 TYR 29 1HD TYR 29 2.175 4.386 6.067 189 HD2 TYR 29 2HD TYR 29 -1.183 3.212 8.445 190 HE1 TYR 29 1HE TYR 29 3.612 2.660 7.259 191 HE2 TYR 29 2HE TYR 29 0.266 1.491 9.629 192 HH TYR 29 HH TYR 29 3.674 1.467 9.292 193 H LEU 30 H LEU 30 -0.735 8.361 5.227 194 HA LEU 30 HA LEU 30 0.620 7.896 2.938 195 HB3 LEU 30 2HB LEU 30 -0.455 10.267 4.319 196 HG LEU 30 HG LEU 30 1.734 11.148 3.455 197 HD11 LEU 30 1HD1 LEU 30 0.820 11.011 0.649 198 HD12 LEU 30 2HD1 LEU 30 2.455 10.885 1.342 199 HD13 LEU 30 3HD1 LEU 30 1.374 9.471 1.349 200 HD21 LEU 30 3HD2 LEU 30 0.804 13.133 2.746 201 HD22 LEU 30 1HD2 LEU 30 -0.473 12.330 1.802 202 HD23 LEU 30 2HD2 LEU 30 -0.573 12.374 3.579 203 H ARG 31 H ARG 31 1.932 8.816 6.068 204 HA ARG 31 HA ARG 31 4.191 10.084 5.475 205 HB3 ARG 31 2HB ARG 31 5.086 8.215 7.353 206 HG3 ARG 31 2HG ARG 31 3.609 9.978 8.895 207 HD3 ARG 31 2HD ARG 31 5.778 11.530 8.280 208 HE ARG 31 HE ARG 31 6.372 9.099 9.843 209 HH11 ARG 31 2HH2 ARG 31 4.882 12.314 9.849 210 HH12 ARG 31 1HH2 ARG 31 4.931 12.470 11.573 211 HH22 ARG 31 1HH ARG 31 5.847 10.687 12.887 212 H GLU 32 H GLU 32 3.681 6.488 5.361 213 HA GLU 32 HA GLU 32 6.257 6.246 4.062 214 HB3 GLU 32 2HB GLU 32 6.075 3.860 4.512 215 HG3 GLU 32 2HG GLU 32 5.254 4.067 7.075 216 HE2 GLU 32 HE GLU 32 8.793 5.605 5.961 217 H HIS 33 H HIS 33 6.499 5.202 1.984 218 HA HIS 33 HA HIS 33 3.987 5.115 0.476 219 HB3 HIS 33 2HB HIS 33 6.701 5.889 -0.620 220 HD1 HIS 33 1HD HIS 33 3.766 7.836 -1.654 221 HD2 HIS 33 2HD HIS 33 5.709 4.346 -2.937 222 HE1 HIS 33 1HE HIS 33 2.940 7.389 -4.027 223 H ILE 34 H ILE 34 6.686 3.410 1.712 224 HA ILE 34 HA ILE 34 7.509 1.388 1.377 225 HB ILE 34 HB ILE 34 4.688 1.210 1.052 226 HG13 ILE 34 2HG1 ILE 34 5.790 0.328 2.968 227 HG21 ILE 34 1HG2 ILE 34 6.227 -0.733 -0.691 228 HG22 ILE 34 2HG2 ILE 34 4.505 -0.858 -0.259 229 HG23 ILE 34 3HG2 ILE 34 5.077 0.507 -1.246 230 HD11 ILE 34 3HD1 ILE 34 4.650 -1.674 3.147 231 HD12 ILE 34 1HD1 ILE 34 3.909 -1.094 1.636 232 HD13 ILE 34 2HD1 ILE 34 5.242 -2.272 1.578 233 HA PRO 35 HA PRO 35 9.233 1.226 -2.574 234 HB3 PRO 35 2HB PRO 35 11.044 0.015 -1.829 235 HG3 PRO 35 2HG PRO 35 10.668 -1.190 0.101 236 HD3 PRO 35 2HD PRO 35 8.934 0.018 1.006 237 H GLU 36 H GLU 36 7.579 1.615 -4.008 238 HA GLU 36 HA GLU 36 6.278 1.102 -5.670 239 HB3 GLU 36 2HB GLU 36 7.506 -1.673 -5.410 240 HG3 GLU 36 2HG GLU 36 5.925 -0.554 -7.766 241 HE2 GLU 36 HE GLU 36 8.454 -3.110 -8.166 242 H ALA 37 H ALA 37 4.335 1.527 -4.542 243 HA ALA 37 HA ALA 37 2.891 -0.896 -3.751 244 HB1 ALA 37 1HB ALA 37 1.913 0.923 -1.981 245 HB2 ALA 37 2HB ALA 37 3.249 -0.192 -1.608 246 HB3 ALA 37 3HB ALA 37 3.598 1.481 -2.103 247 H ASP 38 H ASP 38 0.433 0.135 -3.192 248 HA ASP 38 HA ASP 38 -0.285 2.185 -4.981 249 HB3 ASP 38 2HB ASP 38 -1.788 -0.212 -5.803 250 HD2 ASP 38 HD ASP 38 -2.457 2.078 -6.427 251 H LEU 39 H LEU 39 -1.614 3.092 -3.364 252 HA LEU 39 HA LEU 39 -2.891 1.904 -1.340 253 HB3 LEU 39 2HB LEU 39 -4.623 3.908 -2.483 254 HG LEU 39 HG LEU 39 -3.993 5.259 -0.587 255 HD11 LEU 39 1HD1 LEU 39 -4.779 3.892 1.182 256 HD12 LEU 39 2HD1 LEU 39 -5.550 3.290 -0.305 257 HD13 LEU 39 3HD1 LEU 39 -4.175 2.410 0.405 258 HD21 LEU 39 3HD2 LEU 39 -2.253 4.597 0.999 259 HD22 LEU 39 1HD2 LEU 39 -1.826 3.214 -0.036 260 HD23 LEU 39 2HD2 LEU 39 -1.580 4.875 -0.626 261 H ALA 40 H ALA 40 -4.698 0.659 -0.945 262 HA ALA 40 HA ALA 40 -6.845 0.398 -2.692 263 HB1 ALA 40 1HB ALA 40 -4.508 -1.076 -3.504 264 HB2 ALA 40 2HB ALA 40 -5.762 -2.226 -2.983 265 HB3 ALA 40 3HB ALA 40 -6.120 -1.037 -4.259 266 HA PRO 41 HA PRO 41 -7.316 -1.189 1.488 267 HB3 PRO 41 2HB PRO 41 -7.859 0.800 2.512 268 HG3 PRO 41 2HG PRO 41 -8.250 2.553 1.066 269 HD3 PRO 41 2HD PRO 41 -7.047 1.849 -0.762 270 H LEU 42 H LEU 42 -8.653 -2.782 2.365 271 HA LEU 42 HA LEU 42 -9.823 -4.458 0.646 272 HB3 LEU 42 2HB LEU 42 -9.528 -5.151 2.848 273 HG LEU 42 HG LEU 42 -10.399 -2.629 3.688 274 HD11 LEU 42 1HD1 LEU 42 -12.340 -2.785 4.883 275 HD12 LEU 42 2HD1 LEU 42 -12.719 -3.898 3.547 276 HD13 LEU 42 3HD1 LEU 42 -12.191 -4.543 5.120 277 HD21 LEU 42 3HD2 LEU 42 -10.168 -4.094 6.006 278 HD22 LEU 42 1HD2 LEU 42 -9.236 -5.060 4.837 279 HD23 LEU 42 2HD2 LEU 42 -8.828 -3.348 5.103 280 H SER 43 H SER 43 -11.311 -1.507 2.064 281 HA SER 43 HA SER 43 -13.872 -1.892 1.293 282 HB3 SER 43 2HB SER 43 -13.570 0.804 0.842 283 HG SER 43 HG SER 43 -14.594 -0.601 2.717 284 H VAL 44 H VAL 44 -11.325 -0.102 -0.606 285 HA VAL 44 HA VAL 44 -12.938 0.000 -2.929 286 HB VAL 44 HB VAL 44 -9.965 0.397 -2.535 287 HG11 VAL 44 1HG1 VAL 44 -11.809 0.852 -4.865 288 HG12 VAL 44 2HG1 VAL 44 -10.427 1.947 -4.609 289 HG13 VAL 44 3HG1 VAL 44 -10.151 0.202 -4.832 290 HG21 VAL 44 3HG2 VAL 44 -11.939 1.848 -1.348 291 HG22 VAL 44 1HG2 VAL 44 -10.351 2.506 -1.814 292 HG23 VAL 44 2HG2 VAL 44 -11.755 2.730 -2.884 293 H LEU 45 H LEU 45 -10.307 -2.146 -1.734 294 HA LEU 45 HA LEU 45 -9.938 -3.578 -4.082 295 HB3 LEU 45 2HB LEU 45 -9.425 -5.396 -2.123 296 HG LEU 45 HG LEU 45 -7.597 -3.044 -2.668 297 HD11 LEU 45 1HD1 LEU 45 -7.214 -5.779 -1.488 298 HD12 LEU 45 2HD1 LEU 45 -5.877 -4.965 -2.335 299 HD13 LEU 45 3HD1 LEU 45 -6.628 -4.199 -0.915 300 HD21 LEU 45 3HD2 LEU 45 -7.503 -3.670 -4.794 301 HD22 LEU 45 1HD2 LEU 45 -6.823 -5.227 -4.261 302 HD23 LEU 45 2HD2 LEU 45 -8.580 -5.054 -4.490 303 H GLU 46 H GLU 46 -12.589 -3.517 -1.787 304 HA GLU 46 HA GLU 46 -13.573 -6.034 -2.818 305 HB3 GLU 46 2HB GLU 46 -15.485 -5.333 -1.065 306 HG3 GLU 46 2HG GLU 46 -13.048 -6.043 0.432 307 HE2 GLU 46 HE GLU 46 -15.568 -8.979 0.486 308 H GLN 47 H GLN 47 -14.794 -2.645 -2.271 309 HA GLN 47 HA GLN 47 -17.065 -2.962 -3.795 310 HB3 GLN 47 2HB GLN 47 -16.023 -0.239 -3.949 311 HG3 GLN 47 2HG GLN 47 -17.993 -0.681 -1.865 312 HE21 GLN 47 1HE2 GLN 47 -18.013 1.521 -1.952 313 HE22 GLN 47 2HE2 GLN 47 -18.677 2.440 -3.262 314 H SER 48 H SER 48 -13.701 -2.553 -4.719 315 HA SER 48 HA SER 48 -14.521 -1.879 -7.421 316 HB3 SER 48 2HB SER 48 -11.646 -2.069 -6.491 317 HG SER 48 HG SER 48 -12.854 -1.296 -8.749 318 H GLY 49 H GLY 49 -12.500 -4.209 -5.512 319 HA2 GLY 49 1HA GLY 49 -12.318 -6.467 -5.862 320 HA3 GLY 49 2HA GLY 49 -13.159 -6.319 -7.393 321 H LEU 50 H LEU 50 -11.075 -7.948 -7.584 322 HA LEU 50 HA LEU 50 -8.536 -7.175 -7.777 323 HB3 LEU 50 2HB LEU 50 -10.177 -8.909 -9.605 324 HG LEU 50 HG LEU 50 -7.757 -7.959 -10.459 325 HD11 LEU 50 1HD1 LEU 50 -6.003 -9.450 -9.990 326 HD12 LEU 50 2HD1 LEU 50 -6.738 -9.086 -8.410 327 HD13 LEU 50 3HD1 LEU 50 -7.090 -10.630 -9.222 328 HD21 LEU 50 3HD2 LEU 50 -9.170 -10.580 -10.935 329 HD22 LEU 50 1HD2 LEU 50 -9.148 -9.114 -11.946 330 HD23 LEU 50 2HD2 LEU 50 -7.691 -10.131 -11.818 331 HA PRO 51 HA PRO 51 -9.012 -3.732 -10.516 332 HB3 PRO 51 2HB PRO 51 -8.458 -2.154 -8.934 333 HG3 PRO 51 2HG PRO 51 -7.562 -3.012 -6.989 334 HD3 PRO 51 2HD PRO 51 -8.432 -5.140 -7.045 335 H ALA 52 H ALA 52 -8.203 -3.222 -12.522 336 HA ALA 52 HA ALA 52 -6.415 -5.164 -13.533 337 HB1 ALA 52 1HB ALA 52 -7.746 -4.454 -15.236 338 HB2 ALA 52 2HB ALA 52 -7.991 -2.848 -14.509 339 HB3 ALA 52 3HB ALA 52 -6.507 -3.191 -15.431 340 H LYS 53 H LYS 53 -6.132 -1.675 -12.628 341 HA LYS 53 HA LYS 53 -3.587 -1.211 -13.516 342 HB3 LYS 53 2HB LYS 53 -5.236 0.421 -12.524 343 HG3 LYS 53 2HG LYS 53 -3.930 -0.062 -9.860 344 HD3 LYS 53 2HD LYS 53 -6.835 0.601 -10.403 345 HE3 LYS 53 2HE LYS 53 -4.937 1.771 -8.334 346 HZ1 LYS 53 2HZ LYS 53 -6.840 2.653 -7.540 347 HZ3 LYS 53 1HZ LYS 53 -7.687 1.271 -7.687 348 H LEU 54 H LEU 54 -4.687 -3.338 -10.960 349 HA LEU 54 HA LEU 54 -1.872 -3.850 -10.310 350 HB3 LEU 54 2HB LEU 54 -2.649 -4.376 -7.991 351 HG LEU 54 HG LEU 54 -2.507 -1.649 -9.114 352 HD11 LEU 54 1HD1 LEU 54 -3.463 -1.764 -6.284 353 HD12 LEU 54 2HD1 LEU 54 -3.568 -0.450 -7.480 354 HD13 LEU 54 3HD1 LEU 54 -4.659 -1.851 -7.600 355 HD21 LEU 54 3HD2 LEU 54 -0.550 -1.712 -8.072 356 HD22 LEU 54 1HD2 LEU 54 -1.340 -2.005 -6.504 357 HD23 LEU 54 2HD2 LEU 54 -0.917 -3.375 -7.558 358 H ARG 55 H ARG 55 -3.335 -5.092 -12.406 359 HA ARG 55 HA ARG 55 -3.934 -7.664 -11.186 360 HB3 ARG 55 2HB ARG 55 -4.811 -6.467 -13.860 361 HG3 ARG 55 2HG ARG 55 -5.757 -9.111 -12.702 362 HD3 ARG 55 2HD ARG 55 -5.852 -7.743 -15.423 363 HE ARG 55 HE ARG 55 -5.618 -10.551 -15.003 364 HH11 ARG 55 2HH2 ARG 55 -7.769 -8.275 -16.660 365 HH12 ARG 55 1HH2 ARG 55 -8.255 -9.420 -17.866 366 HH22 ARG 55 1HH ARG 55 -7.354 -11.640 -17.808 367 H HIS 56 H HIS 56 -2.653 -9.440 -11.740 368 HA HIS 56 HA HIS 56 -1.181 -9.450 -14.178 369 HB3 HIS 56 2HB HIS 56 0.615 -9.651 -11.807 370 HD1 HIS 56 1HD HIS 56 2.967 -9.818 -12.652 371 HD2 HIS 56 2HD HIS 56 0.361 -8.207 -15.518 372 HE1 HIS 56 1HE HIS 56 4.335 -9.544 -14.789 373 H GLU 57 H GLU 57 0.824 -11.370 -12.974 374 HA GLU 57 HA GLU 57 -0.927 -13.624 -13.077 375 HB3 GLU 57 2HB GLU 57 1.860 -14.250 -12.452 376 HG3 GLU 57 2HG GLU 57 0.024 -15.594 -13.738 377 HE2 GLU 57 HE GLU 57 0.178 -14.781 -17.372 378 H GLN 58 H GLN 58 1.546 -12.312 -10.754 379 HA GLN 58 HA GLN 58 -0.049 -13.512 -8.643 380 HB3 GLN 58 2HB GLN 58 2.037 -14.241 -7.480 381 HG3 GLN 58 2HG GLN 58 0.963 -15.363 -9.958 382 HE21 GLN 58 1HE2 GLN 58 3.400 -17.194 -8.446 383 HE22 GLN 58 2HE2 GLN 58 4.569 -17.229 -9.723 384 H ILE 59 H ILE 59 -0.633 -11.944 -7.209 385 HA ILE 59 HA ILE 59 1.006 -9.523 -7.159 386 HB ILE 59 HB ILE 59 -0.983 -8.492 -6.131 387 HG13 ILE 59 2HG1 ILE 59 -1.798 -11.196 -5.770 388 HG21 ILE 59 1HG2 ILE 59 -0.753 -9.524 -8.851 389 HG22 ILE 59 2HG2 ILE 59 -2.438 -9.206 -8.375 390 HG23 ILE 59 3HG2 ILE 59 -1.224 -7.909 -8.268 391 HD11 ILE 59 3HD1 ILE 59 -3.429 -10.207 -4.339 392 HD12 ILE 59 1HD1 ILE 59 -2.054 -9.078 -4.294 393 HD13 ILE 59 2HD1 ILE 59 -3.477 -8.707 -5.296 394 H ILE 60 H ILE 60 0.685 -8.420 -4.773 395 HA ILE 60 HA ILE 60 1.211 -10.509 -2.794 396 HB ILE 60 HB ILE 60 2.958 -8.099 -3.306 397 HG13 ILE 60 2HG1 ILE 60 4.659 -9.616 -3.994 398 HG21 ILE 60 1HG2 ILE 60 3.049 -8.296 -1.011 399 HG22 ILE 60 2HG2 ILE 60 2.803 -10.058 -1.039 400 HG23 ILE 60 3HG2 ILE 60 4.374 -9.372 -1.515 401 HD11 ILE 60 3HD1 ILE 60 4.692 -11.867 -3.576 402 HD12 ILE 60 1HD1 ILE 60 3.472 -11.473 -2.340 403 HD13 ILE 60 2HD1 ILE 60 2.960 -12.055 -3.942 404 H PHE 61 H PHE 61 0.878 -9.770 -0.557 405 HA PHE 61 HA PHE 61 -0.597 -7.261 -0.369 406 HB3 PHE 61 2HB PHE 61 -1.951 -9.086 1.299 407 HD1 PHE 61 2HD PHE 61 -3.292 -6.978 0.911 408 HD2 PHE 61 1HD PHE 61 -2.753 -9.922 -2.098 409 HE1 PHE 61 2HE PHE 61 -5.266 -6.061 -0.340 410 HE2 PHE 61 1HE PHE 61 -4.727 -9.005 -3.348 411 HZ PHE 61 HZ PHE 61 -5.960 -7.086 -2.454 412 H HIS 62 H HIS 62 -0.436 -6.237 1.662 413 HA HIS 62 HA HIS 62 0.938 -7.709 3.752 414 HB3 HIS 62 2HB HIS 62 2.311 -5.948 2.050 415 HD1 HIS 62 1HD HIS 62 2.938 -5.184 5.675 416 HD2 HIS 62 2HD HIS 62 1.476 -3.236 2.260 417 HE1 HIS 62 1HE HIS 62 2.866 -2.698 6.245 418 H CYS 63 H CYS 63 0.255 -7.129 5.811 419 HA CYS 63 HA CYS 63 -1.985 -5.306 5.847 420 HB3 CYS 63 2HB CYS 63 -1.206 -6.546 8.397 421 HG CYS 63 HG CYS 63 -3.482 -5.127 7.486 422 H GLN 64 H GLN 64 -1.987 -4.037 8.205 423 HA GLN 64 HA GLN 64 -0.376 -1.940 7.964 424 HB3 GLN 64 2HB GLN 64 -1.340 -3.184 10.577 425 HG3 GLN 64 2HG GLN 64 -1.151 -0.239 10.341 426 HE21 GLN 64 1HE2 GLN 64 -2.542 -0.618 12.128 427 HE22 GLN 64 2HE2 GLN 64 -1.919 -1.070 13.679 428 H ALA 65 H ALA 65 0.312 -4.723 10.212 429 HA ALA 65 HA ALA 65 3.151 -4.313 9.684 430 HB1 ALA 65 1HB ALA 65 1.729 -3.739 12.209 431 HB2 ALA 65 2HB ALA 65 3.129 -4.823 12.396 432 HB3 ALA 65 3HB ALA 65 3.339 -3.216 11.659 433 H GLY 66 H GLY 66 2.024 -6.259 8.369 434 HA2 GLY 66 1HA GLY 66 1.688 -8.485 8.136 435 HA3 GLY 66 2HA GLY 66 3.180 -8.593 9.049 436 H LYS 67 H LYS 67 2.277 -10.683 9.852 437 HA LYS 67 HA LYS 67 1.119 -11.957 11.259 438 HB3 LYS 67 2HB LYS 67 1.007 -10.139 13.502 439 HG3 LYS 67 2HG LYS 67 2.885 -12.435 12.771 440 HD3 LYS 67 2HD LYS 67 3.554 -10.845 14.703 441 HE3 LYS 67 2HE LYS 67 0.865 -11.175 15.424 442 HZ1 LYS 67 2HZ LYS 67 2.468 -13.199 16.695 443 HZ3 LYS 67 1HZ LYS 67 0.846 -13.058 16.650 444 H ARG 68 H ARG 68 -0.717 -11.312 9.587 445 HA ARG 68 HA ARG 68 -3.031 -11.219 11.047 446 HB3 ARG 68 2HB ARG 68 -2.976 -8.665 9.468 447 HG3 ARG 68 2HG ARG 68 -4.448 -9.890 11.727 448 HD3 ARG 68 2HD ARG 68 -4.797 -7.102 12.156 449 HE ARG 68 HE ARG 68 -4.067 -9.426 13.732 450 HH11 ARG 68 2HH2 ARG 68 -4.174 -5.886 13.832 451 HH12 ARG 68 1HH2 ARG 68 -4.290 -5.813 15.558 452 HH22 ARG 68 1HH ARG 68 -4.313 -7.852 16.819 453 H THR 69 H THR 69 -2.369 -12.991 9.200 454 HA THR 69 HA THR 69 -3.786 -12.149 6.756 455 HB THR 69 HB THR 69 -2.226 -14.031 5.751 456 HG1 THR 69 1HG THR 69 -0.768 -13.076 8.107 457 HG21 THR 69 3HG2 THR 69 -0.203 -12.377 5.783 458 HG22 THR 69 1HG2 THR 69 -1.710 -11.795 5.038 459 HG23 THR 69 2HG2 THR 69 -1.279 -11.286 6.688 460 H SER 70 H SER 70 -2.846 -15.056 8.716 461 HA SER 70 HA SER 70 -4.616 -16.784 7.666 462 HB3 SER 70 2HB SER 70 -3.819 -16.498 10.596 463 HG SER 70 HG SER 70 -4.276 -18.757 10.721 464 H ASN 71 H ASN 71 -5.220 -14.072 9.892 465 HA ASN 71 HA ASN 71 -7.556 -14.712 11.016 466 HB3 ASN 71 2HB ASN 71 -7.472 -11.985 9.755 467 HD21 ASN 71 1HD2 ASN 71 -8.439 -10.530 11.030 468 HD22 ASN 71 2HD2 ASN 71 -9.111 -10.849 12.595 469 H ASN 72 H ASN 72 -6.965 -13.429 7.675 470 HA ASN 72 HA ASN 72 -9.401 -14.654 6.824 471 HB3 ASN 72 2HB ASN 72 -10.422 -12.644 5.907 472 HD21 ASN 72 1HD2 ASN 72 -8.819 -10.625 8.079 473 HD22 ASN 72 2HD2 ASN 72 -9.863 -10.773 9.454 474 H ALA 73 H ALA 73 -7.113 -15.664 6.020 475 HA ALA 73 HA ALA 73 -5.780 -14.219 3.965 476 HB1 ALA 73 1HB ALA 73 -4.861 -16.651 3.576 477 HB2 ALA 73 2HB ALA 73 -4.438 -15.782 5.071 478 HB3 ALA 73 3HB ALA 73 -5.717 -17.018 5.092 479 H ASP 74 H ASP 74 -8.472 -16.561 4.164 480 HA ASP 74 HA ASP 74 -8.543 -17.354 1.558 481 HB3 ASP 74 2HB ASP 74 -11.168 -16.730 2.865 482 HD2 ASP 74 HD ASP 74 -10.755 -18.111 0.160 483 H LYS 75 H LYS 75 -10.267 -14.590 3.198 484 HA LYS 75 HA LYS 75 -11.587 -13.582 1.018 485 HB3 LYS 75 2HB LYS 75 -10.920 -11.342 2.494 486 HG3 LYS 75 2HG LYS 75 -13.052 -12.020 3.814 487 HD3 LYS 75 2HD LYS 75 -13.198 -12.138 0.764 488 HE3 LYS 75 2HE LYS 75 -15.287 -10.598 1.982 489 HZ1 LYS 75 2HZ LYS 75 -15.065 -12.344 -0.035 490 HZ3 LYS 75 1HZ LYS 75 -16.504 -11.864 0.555 491 H LEU 76 H LEU 76 -8.201 -12.981 2.116 492 HA LEU 76 HA LEU 76 -7.625 -11.050 0.180 493 HB3 LEU 76 2HB LEU 76 -5.267 -11.619 0.697 494 HG LEU 76 HG LEU 76 -7.071 -11.356 3.117 495 HD11 LEU 76 1HD1 LEU 76 -4.991 -12.253 3.888 496 HD12 LEU 76 2HD1 LEU 76 -4.062 -11.106 2.891 497 HD13 LEU 76 3HD1 LEU 76 -5.019 -10.515 4.271 498 HD21 LEU 76 3HD2 LEU 76 -5.531 -9.283 1.531 499 HD22 LEU 76 1HD2 LEU 76 -7.297 -9.507 1.554 500 HD23 LEU 76 2HD2 LEU 76 -6.446 -8.981 3.027 501 H ALA 77 H ALA 77 -7.404 -14.645 0.186 502 HA ALA 77 HA ALA 77 -6.212 -14.716 -2.406 503 HB1 ALA 77 1HB ALA 77 -7.535 -17.172 -1.619 504 HB2 ALA 77 2HB ALA 77 -5.793 -16.823 -1.750 505 HB3 ALA 77 3HB ALA 77 -6.658 -16.479 -0.233 506 H ALA 78 H ALA 78 -9.269 -13.825 -1.326 507 HA ALA 78 HA ALA 78 -10.491 -14.775 -3.828 508 HB1 ALA 78 1HB ALA 78 -12.613 -14.192 -2.226 509 HB2 ALA 78 2HB ALA 78 -11.875 -15.807 -2.335 510 HB3 ALA 78 3HB ALA 78 -11.429 -14.713 -1.004 511 H ILE 79 H ILE 79 -8.865 -12.247 -2.766 512 HA ILE 79 HA ILE 79 -10.880 -10.251 -3.481 513 HB ILE 79 HB ILE 79 -8.493 -10.301 -1.747 514 HG13 ILE 79 2HG1 ILE 79 -10.748 -10.240 -0.822 515 HG21 ILE 79 1HG2 ILE 79 -8.135 -7.864 -1.955 516 HG22 ILE 79 2HG2 ILE 79 -7.681 -8.760 -3.424 517 HG23 ILE 79 3HG2 ILE 79 -9.207 -7.847 -3.374 518 HD11 ILE 79 3HD1 ILE 79 -8.767 -8.896 0.205 519 HD12 ILE 79 1HD1 ILE 79 -9.587 -7.458 -0.450 520 HD13 ILE 79 2HD1 ILE 79 -10.413 -8.485 0.746 521 H ALA 80 H ALA 80 -7.781 -11.739 -4.420 522 HA ALA 80 HA ALA 80 -7.925 -10.158 -6.895 523 HB1 ALA 80 1HB ALA 80 -5.715 -9.625 -6.751 524 HB2 ALA 80 2HB ALA 80 -5.964 -9.902 -5.011 525 HB3 ALA 80 3HB ALA 80 -5.279 -11.192 -6.029 526 H ALA 81 H ALA 81 -9.411 -12.449 -6.747 527 HA ALA 81 HA ALA 81 -7.701 -14.542 -7.878 528 HB1 ALA 81 1HB ALA 81 -9.007 -15.975 -6.739 529 HB2 ALA 81 2HB ALA 81 -9.771 -14.564 -5.966 530 HB3 ALA 81 3HB ALA 81 -10.484 -15.267 -7.438 531 HA PRO 82 HA PRO 82 -8.757 -16.416 -8.679 532 HB3 PRO 82 2HB PRO 82 -9.675 -17.865 -10.214 533 HG3 PRO 82 2HG PRO 82 -10.345 -16.879 -12.189 534 HD3 PRO 82 2HD PRO 82 -10.672 -14.718 -11.475 535 H ALA 83 H ALA 83 -7.151 -14.015 -10.174 536 HA ALA 83 HA ALA 83 -4.677 -14.869 -10.771 537 HB1 ALA 83 1HB ALA 83 -4.533 -12.545 -9.018 538 HB2 ALA 83 2HB ALA 83 -4.299 -12.651 -10.779 539 HB3 ALA 83 3HB ALA 83 -5.934 -12.439 -10.110 540 H GLU 84 H GLU 84 -2.612 -14.904 -9.500 541 HA GLU 84 HA GLU 84 -3.089 -16.416 -7.102 542 HB3 GLU 84 2HB GLU 84 -0.475 -16.628 -7.280 543 HG3 GLU 84 2HG GLU 84 -1.936 -17.755 -9.680 544 HE2 GLU 84 HE GLU 84 0.066 -20.664 -8.541 545 H ILE 85 H ILE 85 -1.922 -15.955 -5.061 546 HA ILE 85 HA ILE 85 -0.872 -13.258 -4.830 547 HB ILE 85 HB ILE 85 -3.054 -14.172 -2.971 548 HG13 ILE 85 2HG1 ILE 85 -3.995 -14.094 -5.239 549 HG21 ILE 85 1HG2 ILE 85 -3.128 -11.883 -2.282 550 HG22 ILE 85 2HG2 ILE 85 -1.431 -12.414 -2.239 551 HG23 ILE 85 3HG2 ILE 85 -2.010 -11.396 -3.578 552 HD11 ILE 85 3HD1 ILE 85 -4.847 -11.539 -3.845 553 HD12 ILE 85 1HD1 ILE 85 -5.849 -12.726 -4.711 554 HD13 ILE 85 2HD1 ILE 85 -5.181 -13.126 -3.111 555 H PHE 86 H PHE 86 0.380 -12.960 -2.838 556 HA PHE 86 HA PHE 86 0.898 -15.403 -1.355 557 HB3 PHE 86 2HB PHE 86 3.360 -15.094 -1.792 558 HD1 PHE 86 2HD PHE 86 1.458 -17.067 -2.733 559 HD2 PHE 86 1HD PHE 86 3.604 -14.149 -4.943 560 HE1 PHE 86 2HE PHE 86 1.299 -18.505 -4.783 561 HE2 PHE 86 1HE PHE 86 3.447 -15.587 -6.994 562 HZ PHE 86 HZ PHE 86 2.296 -17.748 -6.890 563 H LEU 87 H LEU 87 1.803 -15.032 0.738 564 HA LEU 87 HA LEU 87 1.319 -12.355 1.687 565 HB3 LEU 87 2HB LEU 87 1.562 -13.304 3.875 566 HG LEU 87 HG LEU 87 0.045 -15.187 2.053 567 HD11 LEU 87 1HD1 LEU 87 0.662 -15.400 4.917 568 HD12 LEU 87 2HD1 LEU 87 -1.073 -15.504 4.533 569 HD13 LEU 87 3HD1 LEU 87 0.079 -16.625 3.767 570 HD21 LEU 87 3HD2 LEU 87 -1.638 -13.737 2.126 571 HD22 LEU 87 1HD2 LEU 87 -1.512 -13.570 3.894 572 HD23 LEU 87 2HD2 LEU 87 -0.497 -12.567 2.831 573 H LEU 88 H LEU 88 2.933 -11.215 3.080 574 HA LEU 88 HA LEU 88 5.662 -11.808 2.168 575 HB3 LEU 88 2HB LEU 88 4.378 -9.096 2.527 576 HG LEU 88 HG LEU 88 7.160 -9.817 2.428 577 HD11 LEU 88 1HD1 LEU 88 7.981 -8.999 0.472 578 HD12 LEU 88 2HD1 LEU 88 6.417 -9.608 -0.122 579 HD13 LEU 88 3HD1 LEU 88 6.622 -7.875 0.234 580 HD21 LEU 88 3HD2 LEU 88 6.787 -8.077 3.829 581 HD22 LEU 88 1HD2 LEU 88 7.177 -7.137 2.368 582 HD23 LEU 88 2HD2 LEU 88 5.479 -7.400 2.829 583 H GLU 89 H GLU 89 6.229 -12.986 4.024 584 HA GLU 89 HA GLU 89 5.554 -12.586 6.548 585 HB3 GLU 89 2HB GLU 89 8.337 -13.048 6.719 586 HG3 GLU 89 2HG GLU 89 7.481 -15.531 6.580 587 HE2 GLU 89 HE GLU 89 6.474 -12.992 9.461 588 H ASP 90 H ASP 90 5.410 -10.771 7.789 589 HA ASP 90 HA ASP 90 5.896 -8.887 8.742 590 HB3 ASP 90 2HB ASP 90 8.207 -8.293 9.213 591 HD2 ASP 90 HD ASP 90 7.339 -11.460 10.759 592 H GLY 91 H GLY 91 5.171 -6.992 7.763 593 HA2 GLY 91 1HA GLY 91 5.760 -6.419 5.022 594 HA3 GLY 91 2HA GLY 91 4.812 -5.458 6.139 595 H ILE 92 H ILE 92 5.755 -3.720 7.263 596 HA ILE 92 HA ILE 92 7.966 -2.524 6.131 597 HB ILE 92 HB ILE 92 6.477 -2.162 8.708 598 HG13 ILE 92 2HG1 ILE 92 5.601 -0.218 7.676 599 HG21 ILE 92 1HG2 ILE 92 9.160 -1.155 8.078 600 HG22 ILE 92 2HG2 ILE 92 7.990 0.119 8.496 601 HG23 ILE 92 3HG2 ILE 92 8.286 -1.223 9.627 602 HD11 ILE 92 3HD1 ILE 92 6.780 -0.331 5.041 603 HD12 ILE 92 1HD1 ILE 92 6.792 1.017 6.202 604 HD13 ILE 92 2HD1 ILE 92 8.082 -0.206 6.248 605 H ASP 93 H ASP 93 7.735 -4.331 9.275 606 HA ASP 93 HA ASP 93 10.319 -4.117 10.009 607 HB3 ASP 93 2HB ASP 93 8.204 -6.237 10.357 608 HD2 ASP 93 HD ASP 93 10.339 -6.345 12.915 609 H GLY 94 H GLY 94 8.848 -6.009 7.404 610 HA2 GLY 94 1HA GLY 94 10.995 -7.877 7.064 611 HA3 GLY 94 2HA GLY 94 9.651 -7.576 5.979 612 H TRP 95 H TRP 95 9.870 -4.884 5.329 613 HA TRP 95 HA TRP 95 11.995 -4.942 3.475 614 HB3 TRP 95 2HB TRP 95 10.030 -2.818 4.319 615 HD1 TRP 95 HD TRP 95 10.738 -0.397 3.679 616 HE1 TRP 95 1HE TRP 95 12.306 0.824 1.941 617 HE3 TRP 95 3HE TRP 95 12.410 -4.633 1.418 618 HZ2 TRP 95 2HZ TRP 95 14.030 -0.100 -0.137 619 HZ3 TRP 95 3HZ TRP 95 14.033 -4.385 -0.457 620 HH2 TRP 95 HH TRP 95 14.842 -2.216 -1.240 621 H LYS 96 H LYS 96 11.431 -3.476 6.705 622 HA LYS 96 HA LYS 96 13.932 -2.049 6.596 623 HB3 LYS 96 2HB LYS 96 12.396 -2.337 9.133 624 HG3 LYS 96 2HG LYS 96 13.198 0.225 7.749 625 HD3 LYS 96 2HD LYS 96 13.920 -0.097 10.553 626 HE3 LYS 96 2HE LYS 96 12.922 1.894 8.819 627 HZ1 LYS 96 2HZ LYS 96 10.665 1.075 9.510 628 HZ3 LYS 96 1HZ LYS 96 10.932 2.634 9.899 629 H LYS 97 H LYS 97 13.179 -5.251 6.831 630 HA LYS 97 HA LYS 97 14.582 -6.071 9.112 631 HB3 LYS 97 2HB LYS 97 14.351 -7.730 6.611 632 HG3 LYS 97 2HG LYS 97 14.854 -8.142 9.463 633 HD3 LYS 97 2HD LYS 97 12.295 -9.186 8.303 634 HE3 LYS 97 2HE LYS 97 12.882 -11.100 10.226 635 HZ1 LYS 97 2HZ LYS 97 11.849 -11.740 8.227 636 HZ3 LYS 97 1HZ LYS 97 13.281 -12.509 8.137 637 H ALA 98 H ALA 98 15.641 -4.574 6.208 638 HA ALA 98 HA ALA 98 18.385 -5.429 6.820 639 HB1 ALA 98 1HB ALA 98 16.918 -5.262 4.187 640 HB2 ALA 98 2HB ALA 98 18.678 -4.998 4.244 641 HB3 ALA 98 3HB ALA 98 17.993 -6.542 4.803 642 H GLY 99 H GLY 99 16.693 -3.136 7.775 643 HA2 GLY 99 1HA GLY 99 16.882 -0.920 8.090 644 HA3 GLY 99 2HA GLY 99 18.569 -1.103 7.657 645 H LEU 100 H LEU 100 15.582 -1.635 5.666 646 HA LEU 100 HA LEU 100 16.655 0.371 3.809 647 HB3 LEU 100 2HB LEU 100 15.207 -0.896 2.137 648 HG LEU 100 HG LEU 100 17.786 -1.808 3.261 649 HD11 LEU 100 1HD1 LEU 100 17.702 -3.985 2.812 650 HD12 LEU 100 2HD1 LEU 100 15.934 -3.807 2.720 651 HD13 LEU 100 3HD1 LEU 100 16.917 -3.711 1.239 652 HD21 LEU 100 3HD2 LEU 100 17.069 -0.275 1.159 653 HD22 LEU 100 1HD2 LEU 100 18.601 -1.177 1.254 654 HD23 LEU 100 2HD2 LEU 100 17.224 -1.855 0.353 655 HA PRO 101 HA PRO 101 13.061 2.511 5.120 656 HB3 PRO 101 2HB PRO 101 14.245 4.408 5.670 657 HG3 PRO 101 2HG PRO 101 16.398 4.473 4.843 658 HD3 PRO 101 2HD PRO 101 16.802 2.224 4.581 659 H VAL 102 H VAL 102 11.179 3.609 4.200 660 HA VAL 102 HA VAL 102 10.800 2.532 1.528 661 HB VAL 102 HB VAL 102 8.459 2.955 1.928 662 HG11 VAL 102 1HG1 VAL 102 8.171 1.587 4.064 663 HG12 VAL 102 2HG1 VAL 102 9.172 0.865 2.783 664 HG13 VAL 102 3HG1 VAL 102 9.946 1.616 4.200 665 HG21 VAL 102 3HG2 VAL 102 9.509 4.691 4.084 666 HG22 VAL 102 1HG2 VAL 102 8.023 4.832 3.112 667 HG23 VAL 102 2HG2 VAL 102 8.071 3.729 4.510 668 H ALA 103 H ALA 103 8.801 4.392 0.648 669 HA ALA 103 HA ALA 103 10.578 6.599 -0.056 670 HB1 ALA 103 1HB ALA 103 8.429 5.056 -1.360 671 HB2 ALA 103 2HB ALA 103 8.295 6.815 -1.604 672 HB3 ALA 103 3HB ALA 103 9.785 5.960 -2.077 673 H VAL 104 H VAL 104 10.276 7.474 2.207 674 HA VAL 104 HA VAL 104 7.638 8.490 2.784 675 HB VAL 104 HB VAL 104 9.335 7.526 4.432 676 HG11 VAL 104 1HG1 VAL 104 10.926 9.621 3.384 677 HG12 VAL 104 2HG1 VAL 104 10.542 10.065 5.064 678 HG13 VAL 104 3HG1 VAL 104 11.321 8.503 4.712 679 HG21 VAL 104 3HG2 VAL 104 8.775 9.710 5.992 680 HG22 VAL 104 1HG2 VAL 104 7.566 9.871 4.696 681 HG23 VAL 104 2HG2 VAL 104 7.647 8.376 5.657 682 H ASN 105 H ASN 105 9.092 10.927 4.074 683 HA ASN 105 HA ASN 105 9.609 12.398 1.633 684 HB3 ASN 105 2HB ASN 105 8.219 14.259 3.180 685 HD21 ASN 105 1HD2 ASN 105 6.127 14.840 2.229 686 HD22 ASN 105 2HD2 ASN 105 5.808 14.450 0.572 687 H LYS 106 H LYS 106 11.799 12.828 2.150 688 HA LYS 106 HA LYS 106 12.568 13.424 4.837 689 HB3 LYS 106 2HB LYS 106 14.123 13.553 2.236 690 HG3 LYS 106 2HG LYS 106 15.302 13.159 4.991 691 HD3 LYS 106 2HD LYS 106 16.774 14.869 3.179 692 HE3 LYS 106 2HE LYS 106 17.528 13.184 5.050 693 HZ1 LYS 106 2HZ LYS 106 17.622 11.363 2.713 694 HZ3 LYS 106 1HZ LYS 106 16.444 11.265 3.833 695 H SER 107 H SER 107 11.913 15.312 5.742 696 HA SER 107 HA SER 107 12.330 17.683 4.096 697 HB3 SER 107 2HB SER 107 9.951 17.452 4.259 698 HG SER 107 HG SER 107 8.927 16.639 5.973 699 H GLN 108 H GLN 108 14.469 17.887 5.067 700 HA GLN 108 HA GLN 108 14.302 18.702 7.864 701 HB3 GLN 108 2HB GLN 108 16.983 17.986 7.376 702 HG3 GLN 108 2HG GLN 108 14.641 16.887 8.892 703 HE21 GLN 108 1HE2 GLN 108 18.038 16.010 9.124 704 HE22 GLN 108 2HE2 GLN 108 17.855 14.294 8.972 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -6.080 -19.852 3.784 2 HA ALA 1 HA ALA 1 -4.029 -19.039 3.934 3 HB1 ALA 1 1HB ALA 1 -2.212 -20.625 4.412 4 HB2 ALA 1 2HB ALA 1 -3.700 -21.106 5.262 5 HB3 ALA 1 3HB ALA 1 -3.201 -21.967 3.786 6 H LEU 2 H LEU 2 -3.490 -17.801 2.197 7 HA LEU 2 HA LEU 2 -3.343 -18.844 -0.411 8 HB3 LEU 2 2HB LEU 2 -2.019 -16.487 -0.561 9 HG LEU 2 HG LEU 2 -4.993 -16.962 -0.365 10 HD11 LEU 2 1HD1 LEU 2 -3.535 -14.345 -0.737 11 HD12 LEU 2 2HD1 LEU 2 -5.189 -14.612 -1.339 12 HD13 LEU 2 3HD1 LEU 2 -4.842 -14.745 0.402 13 HD21 LEU 2 3HD2 LEU 2 -3.074 -17.311 -2.411 14 HD22 LEU 2 1HD2 LEU 2 -4.844 -17.465 -2.518 15 HD23 LEU 2 2HD2 LEU 2 -4.064 -15.905 -2.867 16 H THR 3 H THR 3 -0.571 -16.922 0.626 17 HA THR 3 HA THR 3 1.158 -19.256 0.690 18 HB THR 3 HB THR 3 1.621 -17.008 -1.329 19 HG1 THR 3 1HG THR 3 0.349 -19.649 -1.436 20 HG21 THR 3 3HG2 THR 3 2.794 -19.770 -0.792 21 HG22 THR 3 1HG2 THR 3 2.868 -19.048 -2.418 22 HG23 THR 3 2HG2 THR 3 3.658 -18.234 -1.046 23 H THR 4 H THR 4 3.527 -18.484 1.060 24 HA THR 4 HA THR 4 3.565 -15.987 2.575 25 HB THR 4 HB THR 4 4.126 -18.790 3.657 26 HG1 THR 4 1HG THR 4 2.010 -18.103 4.082 27 HG21 THR 4 3HG2 THR 4 5.965 -17.381 4.482 28 HG22 THR 4 1HG2 THR 4 4.837 -16.045 4.814 29 HG23 THR 4 2HG2 THR 4 4.758 -17.536 5.781 30 H ILE 5 H ILE 5 5.866 -15.426 3.247 31 HA ILE 5 HA ILE 5 8.019 -16.683 1.982 32 HB ILE 5 HB ILE 5 6.837 -15.839 -0.038 33 HG13 ILE 5 2HG1 ILE 5 9.453 -16.084 0.404 34 HG21 ILE 5 1HG2 ILE 5 7.304 -13.198 1.329 35 HG22 ILE 5 2HG2 ILE 5 7.214 -13.312 -0.445 36 HG23 ILE 5 3HG2 ILE 5 5.832 -13.827 0.550 37 HD11 ILE 5 3HD1 ILE 5 8.870 -16.598 -1.773 38 HD12 ILE 5 1HD1 ILE 5 7.851 -15.150 -1.952 39 HD13 ILE 5 2HD1 ILE 5 9.620 -15.013 -2.075 40 H SER 6 H SER 6 10.013 -15.085 2.020 41 HA SER 6 HA SER 6 9.669 -13.530 4.460 42 HB3 SER 6 2HB SER 6 12.368 -13.839 4.285 43 HG SER 6 HG SER 6 10.523 -14.758 5.854 44 HA PRO 7 HA PRO 7 10.867 -10.000 2.217 45 HB3 PRO 7 2HB PRO 7 10.189 -8.589 3.906 46 HG3 PRO 7 2HG PRO 7 10.123 -9.556 5.999 47 HD3 PRO 7 2HD PRO 7 9.873 -11.768 5.420 48 H HIS 8 H HIS 8 12.365 -11.153 0.861 49 HA HIS 8 HA HIS 8 14.884 -9.907 1.012 50 HB3 HIS 8 2HB HIS 8 15.323 -12.822 1.245 51 HD1 HIS 8 1HD HIS 8 17.792 -12.705 0.824 52 HD2 HIS 8 2HD HIS 8 16.488 -9.729 3.477 53 HE1 HIS 8 1HE HIS 8 19.892 -11.517 1.654 54 H ASP 9 H ASP 9 13.122 -12.865 -0.132 55 HA ASP 9 HA ASP 9 14.366 -12.484 -2.710 56 HB3 ASP 9 2HB ASP 9 12.396 -14.644 -2.555 57 HD2 ASP 9 HD ASP 9 14.340 -16.602 -2.051 58 H ALA 10 H ALA 10 11.337 -12.101 -0.917 59 HA ALA 10 HA ALA 10 9.523 -12.143 -3.038 60 HB1 ALA 10 1HB ALA 10 9.009 -12.250 -0.580 61 HB2 ALA 10 2HB ALA 10 9.398 -10.517 -0.468 62 HB3 ALA 10 3HB ALA 10 8.026 -11.059 -1.465 63 H GLN 11 H GLN 11 11.969 -9.823 -2.045 64 HA GLN 11 HA GLN 11 10.720 -7.626 -3.331 65 HB3 GLN 11 2HB GLN 11 13.668 -7.827 -2.627 66 HG3 GLN 11 2HG GLN 11 12.424 -5.773 -3.781 67 HE21 GLN 11 1HE2 GLN 11 12.707 -5.570 -0.243 68 HE22 GLN 11 2HE2 GLN 11 11.213 -4.748 0.055 69 H GLU 12 H GLU 12 11.957 -10.432 -4.567 70 HA GLU 12 HA GLU 12 13.264 -9.111 -6.798 71 HB3 GLU 12 2HB GLU 12 13.203 -12.015 -5.885 72 HG3 GLU 12 2HG GLU 12 13.854 -10.828 -8.520 73 HE2 GLU 12 HE GLU 12 15.946 -10.117 -7.417 74 H LEU 13 H LEU 13 10.682 -11.522 -6.000 75 HA LEU 13 HA LEU 13 9.809 -11.789 -8.668 76 HB3 LEU 13 2HB LEU 13 9.333 -13.549 -7.217 77 HG LEU 13 HG LEU 13 8.929 -11.628 -5.181 78 HD11 LEU 13 1HD1 LEU 13 6.686 -11.341 -5.244 79 HD12 LEU 13 2HD1 LEU 13 6.394 -12.878 -6.093 80 HD13 LEU 13 3HD1 LEU 13 6.702 -12.873 -4.339 81 HD21 LEU 13 3HD2 LEU 13 8.913 -14.631 -5.350 82 HD22 LEU 13 1HD2 LEU 13 10.130 -13.540 -4.644 83 HD23 LEU 13 2HD2 LEU 13 8.577 -13.802 -3.811 84 H ILE 14 H ILE 14 9.073 -9.539 -5.997 85 HA ILE 14 HA ILE 14 6.747 -8.466 -7.162 86 HB ILE 14 HB ILE 14 8.669 -7.595 -5.033 87 HG13 ILE 14 2HG1 ILE 14 6.893 -9.418 -4.733 88 HG21 ILE 14 1HG2 ILE 14 7.266 -5.648 -4.569 89 HG22 ILE 14 2HG2 ILE 14 8.002 -5.544 -6.186 90 HG23 ILE 14 3HG2 ILE 14 6.288 -5.997 -6.015 91 HD11 ILE 14 3HD1 ILE 14 6.356 -8.651 -2.479 92 HD12 ILE 14 1HD1 ILE 14 8.020 -8.151 -2.860 93 HD13 ILE 14 2HD1 ILE 14 6.696 -6.963 -2.930 94 H ALA 15 H ALA 15 10.238 -7.527 -7.256 95 HA ALA 15 HA ALA 15 9.740 -5.280 -8.925 96 HB1 ALA 15 1HB ALA 15 11.809 -6.193 -7.330 97 HB2 ALA 15 2HB ALA 15 12.441 -6.460 -8.972 98 HB3 ALA 15 3HB ALA 15 11.911 -4.834 -8.474 99 H ARG 16 H ARG 16 9.509 -8.607 -9.458 100 HA ARG 16 HA ARG 16 10.533 -8.424 -12.147 101 HB3 ARG 16 2HB ARG 16 9.606 -10.962 -12.028 102 HG3 ARG 16 2HG ARG 16 12.106 -9.901 -10.630 103 HD3 ARG 16 2HD ARG 16 11.096 -12.466 -10.338 104 HE ARG 16 HE ARG 16 13.177 -12.936 -12.377 105 HH11 ARG 16 2HH2 ARG 16 9.707 -12.882 -11.665 106 HH12 ARG 16 1HH2 ARG 16 9.290 -13.894 -13.007 107 HH22 ARG 16 1HH ARG 16 11.023 -14.700 -14.454 108 H GLY 17 H GLY 17 7.558 -8.262 -10.312 109 HA2 GLY 17 1HA GLY 17 5.946 -7.356 -12.318 110 HA3 GLY 17 2HA GLY 17 5.790 -9.099 -12.413 111 H ALA 18 H ALA 18 6.049 -9.835 -9.672 112 HA ALA 18 HA ALA 18 3.519 -9.722 -8.751 113 HB1 ALA 18 1HB ALA 18 5.254 -9.611 -6.478 114 HB2 ALA 18 2HB ALA 18 4.520 -11.043 -7.238 115 HB3 ALA 18 3HB ALA 18 6.116 -10.468 -7.777 116 H LYS 19 H LYS 19 2.152 -8.190 -7.969 117 HA LYS 19 HA LYS 19 3.304 -5.564 -7.449 118 HB3 LYS 19 2HB LYS 19 0.366 -5.919 -7.436 119 HG3 LYS 19 2HG LYS 19 1.818 -3.737 -7.490 120 HD3 LYS 19 2HD LYS 19 1.723 -3.630 -10.388 121 HE3 LYS 19 2HE LYS 19 4.401 -3.531 -9.609 122 HZ1 LYS 19 2HZ LYS 19 3.177 -1.052 -9.114 123 HZ3 LYS 19 1HZ LYS 19 2.385 -1.736 -10.362 124 H LEU 20 H LEU 20 2.705 -4.349 -5.522 125 HA LEU 20 HA LEU 20 1.970 -6.138 -3.308 126 HB3 LEU 20 2HB LEU 20 3.846 -3.780 -3.154 127 HG LEU 20 HG LEU 20 2.676 -5.422 -1.128 128 HD11 LEU 20 1HD1 LEU 20 4.287 -6.757 -0.285 129 HD12 LEU 20 2HD1 LEU 20 4.861 -6.765 -1.969 130 HD13 LEU 20 3HD1 LEU 20 5.608 -5.670 -0.779 131 HD21 LEU 20 3HD2 LEU 20 2.970 -3.306 -0.401 132 HD22 LEU 20 1HD2 LEU 20 4.520 -3.956 0.186 133 HD23 LEU 20 2HD2 LEU 20 4.455 -3.063 -1.352 134 H ILE 21 H ILE 21 0.037 -5.644 -2.436 135 HA ILE 21 HA ILE 21 -0.936 -2.912 -2.850 136 HB ILE 21 HB ILE 21 -2.178 -5.590 -2.792 137 HG13 ILE 21 2HG1 ILE 21 -2.685 -2.977 -4.232 138 HG21 ILE 21 1HG2 ILE 21 -3.184 -4.684 -0.788 139 HG22 ILE 21 2HG2 ILE 21 -3.586 -3.170 -1.632 140 HG23 ILE 21 3HG2 ILE 21 -4.377 -4.692 -2.108 141 HD11 ILE 21 3HD1 ILE 21 -1.931 -5.743 -5.270 142 HD12 ILE 21 1HD1 ILE 21 -1.967 -4.216 -6.185 143 HD13 ILE 21 2HD1 ILE 21 -0.737 -4.469 -4.922 144 H ASP 22 H ASP 22 -1.790 -1.700 -1.093 145 HA ASP 22 HA ASP 22 -0.900 -2.754 1.475 146 HB3 ASP 22 2HB ASP 22 -1.450 0.128 1.411 147 HD2 ASP 22 HD ASP 22 1.548 0.305 0.966 148 H ILE 23 H ILE 23 -2.727 -3.484 2.588 149 HA ILE 23 HA ILE 23 -5.208 -1.969 2.214 150 HB ILE 23 HB ILE 23 -6.304 -4.008 3.087 151 HG13 ILE 23 2HG1 ILE 23 -4.041 -4.752 4.206 152 HG21 ILE 23 1HG2 ILE 23 -6.191 -5.232 1.039 153 HG22 ILE 23 2HG2 ILE 23 -6.009 -3.504 0.651 154 HG23 ILE 23 3HG2 ILE 23 -4.582 -4.568 0.661 155 HD11 ILE 23 3HD1 ILE 23 -5.368 -6.484 4.803 156 HD12 ILE 23 1HD1 ILE 23 -6.481 -6.061 3.481 157 HD13 ILE 23 2HD1 ILE 23 -5.160 -7.215 3.193 158 H ARG 24 H ARG 24 -3.438 -0.598 3.736 159 HA ARG 24 HA ARG 24 -4.312 -1.232 6.440 160 HB3 ARG 24 2HB ARG 24 -1.896 -1.432 6.328 161 HG3 ARG 24 2HG ARG 24 -2.109 1.151 4.759 162 HD3 ARG 24 2HD ARG 24 0.442 0.121 6.088 163 HE ARG 24 HE ARG 24 0.031 1.931 3.925 164 HH11 ARG 24 2HH2 ARG 24 1.776 1.815 7.007 165 HH12 ARG 24 1HH2 ARG 24 3.012 2.912 6.490 166 HH22 ARG 24 1HH ARG 24 2.925 3.819 4.274 167 H ASP 25 H ASP 25 -3.806 1.121 7.781 168 HA ASP 25 HA ASP 25 -5.915 2.704 7.066 169 HB3 ASP 25 2HB ASP 25 -5.205 4.157 8.809 170 HD2 ASP 25 HD ASP 25 -5.042 2.090 11.453 171 H ALA 26 H ALA 26 -5.948 4.930 6.145 172 HA ALA 26 HA ALA 26 -4.089 5.212 3.984 173 HB1 ALA 26 1HB ALA 26 -5.628 7.519 4.097 174 HB2 ALA 26 2HB ALA 26 -6.043 6.036 3.203 175 HB3 ALA 26 3HB ALA 26 -6.687 6.297 4.841 176 H ASP 27 H ASP 27 -4.828 6.893 7.096 177 HA ASP 27 HA ASP 27 -3.218 9.042 6.808 178 HB3 ASP 27 2HB ASP 27 -4.552 7.669 8.932 179 HD2 ASP 27 HD ASP 27 -1.039 8.849 9.525 180 H GLU 28 H GLU 28 -2.412 5.625 7.341 181 HA GLU 28 HA GLU 28 0.205 6.094 8.277 182 HB3 GLU 28 2HB GLU 28 0.378 3.551 7.467 183 HG3 GLU 28 2HG GLU 28 -1.472 3.274 9.559 184 HE2 GLU 28 HE GLU 28 0.803 1.560 9.235 185 H TYR 29 H TYR 29 -1.355 5.938 5.121 186 HA TYR 29 HA TYR 29 1.182 5.588 3.749 187 HB3 TYR 29 2HB TYR 29 -1.799 5.859 3.078 188 HD1 TYR 29 1HD TYR 29 1.243 4.780 1.159 189 HD2 TYR 29 2HD TYR 29 -2.311 7.161 1.220 190 HE1 TYR 29 1HE TYR 29 1.645 5.453 -1.259 191 HE2 TYR 29 2HE TYR 29 -1.896 7.827 -1.199 192 HH TYR 29 HH TYR 29 0.553 6.273 -3.101 193 H LEU 30 H LEU 30 -0.893 8.133 4.929 194 HA LEU 30 HA LEU 30 -0.583 10.095 3.048 195 HB3 LEU 30 2HB LEU 30 -1.031 9.982 5.972 196 HG LEU 30 HG LEU 30 0.572 11.930 5.665 197 HD11 LEU 30 1HD1 LEU 30 0.226 13.570 4.187 198 HD12 LEU 30 2HD1 LEU 30 -0.884 12.431 3.389 199 HD13 LEU 30 3HD1 LEU 30 -1.519 13.641 4.527 200 HD21 LEU 30 3HD2 LEU 30 -0.929 13.521 6.914 201 HD22 LEU 30 1HD2 LEU 30 -2.256 12.365 6.648 202 HD23 LEU 30 2HD2 LEU 30 -0.826 11.877 7.587 203 H ARG 31 H ARG 31 1.727 8.948 5.552 204 HA ARG 31 HA ARG 31 3.628 10.873 4.515 205 HB3 ARG 31 2HB ARG 31 5.012 10.036 6.546 206 HG3 ARG 31 2HG ARG 31 2.267 11.282 7.049 207 HD3 ARG 31 2HD ARG 31 4.010 12.406 8.859 208 HE ARG 31 HE ARG 31 1.751 10.780 9.045 209 HH11 ARG 31 2HH2 ARG 31 4.767 11.083 10.880 210 HH12 ARG 31 1HH2 ARG 31 4.057 10.556 12.370 211 HH22 ARG 31 1HH ARG 31 1.733 9.973 12.422 212 H GLU 32 H GLU 32 3.903 7.502 5.868 213 HA GLU 32 HA GLU 32 6.125 6.867 4.381 214 HB3 GLU 32 2HB GLU 32 5.505 4.473 4.956 215 HG3 GLU 32 2HG GLU 32 5.066 6.335 7.323 216 HE2 GLU 32 HE GLU 32 4.402 4.368 8.611 217 H HIS 33 H HIS 33 6.356 5.281 2.573 218 HA HIS 33 HA HIS 33 4.080 4.622 1.031 219 HB3 HIS 33 2HB HIS 33 5.731 7.004 0.228 220 HD1 HIS 33 1HD HIS 33 3.737 4.188 -1.415 221 HD2 HIS 33 2HD HIS 33 6.087 7.502 -2.459 222 HE1 HIS 33 1HE HIS 33 4.053 4.072 -3.945 223 H ILE 34 H ILE 34 5.057 2.539 1.360 224 HA ILE 34 HA ILE 34 7.565 1.736 1.062 225 HB ILE 34 HB ILE 34 5.040 0.462 0.026 226 HG13 ILE 34 2HG1 ILE 34 5.108 0.821 2.430 227 HG21 ILE 34 1HG2 ILE 34 7.325 -0.289 -1.047 228 HG22 ILE 34 2HG2 ILE 34 7.520 -1.143 0.502 229 HG23 ILE 34 3HG2 ILE 34 6.113 -1.486 -0.530 230 HD11 ILE 34 3HD1 ILE 34 5.010 -1.782 1.146 231 HD12 ILE 34 1HD1 ILE 34 5.695 -1.944 2.780 232 HD13 ILE 34 2HD1 ILE 34 4.094 -1.198 2.558 233 HA PRO 35 HA PRO 35 8.902 2.732 -2.922 234 HB3 PRO 35 2HB PRO 35 11.111 2.613 -2.281 235 HG3 PRO 35 2HG PRO 35 11.497 1.354 -0.387 236 HD3 PRO 35 2HD PRO 35 9.434 1.486 0.619 237 H GLU 36 H GLU 36 6.776 0.711 -2.593 238 HA GLU 36 HA GLU 36 6.507 0.038 -5.199 239 HB3 GLU 36 2HB GLU 36 7.161 -2.607 -4.077 240 HG3 GLU 36 2HG GLU 36 8.105 -1.082 -6.552 241 HE2 GLU 36 HE GLU 36 9.308 -4.426 -5.149 242 H ALA 37 H ALA 37 4.457 0.830 -4.213 243 HA ALA 37 HA ALA 37 2.755 -1.366 -3.595 244 HB1 ALA 37 1HB ALA 37 3.596 -1.163 -1.367 245 HB2 ALA 37 2HB ALA 37 3.522 0.614 -1.423 246 HB3 ALA 37 3HB ALA 37 2.019 -0.338 -1.373 247 H ASP 38 H ASP 38 0.450 -0.322 -2.961 248 HA ASP 38 HA ASP 38 0.103 2.295 -3.994 249 HB3 ASP 38 2HB ASP 38 -1.685 0.559 -5.522 250 HD2 ASP 38 HD ASP 38 1.329 2.105 -6.261 251 H LEU 39 H LEU 39 -1.537 3.088 -2.666 252 HA LEU 39 HA LEU 39 -2.902 1.609 -0.839 253 HB3 LEU 39 2HB LEU 39 -4.333 3.945 -1.948 254 HG LEU 39 HG LEU 39 -4.029 4.801 0.390 255 HD11 LEU 39 1HD1 LEU 39 -5.340 2.167 0.747 256 HD12 LEU 39 2HD1 LEU 39 -5.950 3.813 1.047 257 HD13 LEU 39 3HD1 LEU 39 -5.922 3.164 -0.610 258 HD21 LEU 39 3HD2 LEU 39 -3.113 3.521 2.109 259 HD22 LEU 39 1HD2 LEU 39 -3.153 2.021 1.152 260 HD23 LEU 39 2HD2 LEU 39 -1.972 3.294 0.762 261 H ALA 40 H ALA 40 -4.816 0.449 -0.731 262 HA ALA 40 HA ALA 40 -6.887 0.528 -2.511 263 HB1 ALA 40 1HB ALA 40 -5.941 -0.292 -4.404 264 HB2 ALA 40 2HB ALA 40 -4.543 -0.962 -3.531 265 HB3 ALA 40 3HB ALA 40 -6.076 -1.867 -3.586 266 HA PRO 41 HA PRO 41 -7.292 -2.053 1.158 267 HB3 PRO 41 2HB PRO 41 -7.745 -0.384 2.679 268 HG3 PRO 41 2HG PRO 41 -8.113 1.694 1.748 269 HD3 PRO 41 2HD PRO 41 -6.981 1.458 -0.240 270 H LEU 42 H LEU 42 -8.736 -3.733 1.714 271 HA LEU 42 HA LEU 42 -9.976 -4.909 -0.356 272 HB3 LEU 42 2HB LEU 42 -9.569 -5.941 1.805 273 HG LEU 42 HG LEU 42 -11.646 -4.039 2.776 274 HD11 LEU 42 1HD1 LEU 42 -12.924 -6.037 2.990 275 HD12 LEU 42 2HD1 LEU 42 -11.529 -6.940 3.627 276 HD13 LEU 42 3HD1 LEU 42 -12.273 -5.650 4.602 277 HD21 LEU 42 3HD2 LEU 42 -10.078 -5.045 4.874 278 HD22 LEU 42 1HD2 LEU 42 -8.977 -4.892 3.484 279 HD23 LEU 42 2HD2 LEU 42 -9.910 -3.482 4.040 280 H SER 43 H SER 43 -11.307 -2.331 1.762 281 HA SER 43 HA SER 43 -13.899 -2.430 0.986 282 HB3 SER 43 2HB SER 43 -13.603 0.245 1.254 283 HG SER 43 HG SER 43 -13.014 -1.260 3.605 284 H VAL 44 H VAL 44 -11.238 -0.439 -0.508 285 HA VAL 44 HA VAL 44 -12.888 0.366 -2.678 286 HB VAL 44 HB VAL 44 -9.887 0.452 -2.303 287 HG11 VAL 44 1HG1 VAL 44 -9.698 1.539 -4.258 288 HG12 VAL 44 2HG1 VAL 44 -11.319 0.904 -4.627 289 HG13 VAL 44 3HG1 VAL 44 -11.137 2.537 -3.942 290 HG21 VAL 44 3HG2 VAL 44 -11.371 2.957 -1.996 291 HG22 VAL 44 1HG2 VAL 44 -11.823 1.733 -0.786 292 HG23 VAL 44 2HG2 VAL 44 -10.122 2.229 -0.957 293 H LEU 45 H LEU 45 -10.340 -2.137 -2.154 294 HA LEU 45 HA LEU 45 -10.177 -2.983 -4.798 295 HB3 LEU 45 2HB LEU 45 -9.646 -5.226 -3.339 296 HG LEU 45 HG LEU 45 -7.823 -2.840 -3.729 297 HD11 LEU 45 1HD1 LEU 45 -6.628 -5.514 -3.351 298 HD12 LEU 45 2HD1 LEU 45 -6.092 -3.916 -2.778 299 HD13 LEU 45 3HD1 LEU 45 -7.368 -4.793 -1.901 300 HD21 LEU 45 3HD2 LEU 45 -8.521 -3.695 -5.840 301 HD22 LEU 45 1HD2 LEU 45 -6.868 -4.285 -5.546 302 HD23 LEU 45 2HD2 LEU 45 -8.255 -5.377 -5.320 303 H GLU 46 H GLU 46 -12.718 -3.291 -2.430 304 HA GLU 46 HA GLU 46 -13.836 -5.592 -3.726 305 HB3 GLU 46 2HB GLU 46 -15.790 -4.799 -2.017 306 HG3 GLU 46 2HG GLU 46 -13.513 -5.903 -0.502 307 HE2 GLU 46 HE GLU 46 -15.769 -5.440 0.484 308 H GLN 47 H GLN 47 -15.035 -2.233 -2.971 309 HA GLN 47 HA GLN 47 -17.146 -2.395 -4.757 310 HB3 GLN 47 2HB GLN 47 -16.347 0.346 -4.489 311 HG3 GLN 47 2HG GLN 47 -18.181 -0.399 -2.416 312 HE21 GLN 47 1HE2 GLN 47 -19.998 0.828 -2.566 313 HE22 GLN 47 2HE2 GLN 47 -20.304 1.976 -3.827 314 H SER 48 H SER 48 -13.733 -1.960 -5.259 315 HA SER 48 HA SER 48 -14.221 -0.782 -7.866 316 HB3 SER 48 2HB SER 48 -11.545 -1.302 -6.503 317 HG SER 48 HG SER 48 -12.422 0.158 -8.806 318 H GLY 49 H GLY 49 -12.669 -3.592 -6.200 319 HA2 GLY 49 1HA GLY 49 -12.566 -5.750 -6.948 320 HA3 GLY 49 2HA GLY 49 -13.177 -5.257 -8.515 321 H LEU 50 H LEU 50 -10.793 -6.969 -7.714 322 HA LEU 50 HA LEU 50 -8.378 -5.866 -7.896 323 HB3 LEU 50 2HB LEU 50 -9.571 -8.358 -8.999 324 HG LEU 50 HG LEU 50 -7.684 -7.530 -10.602 325 HD11 LEU 50 1HD1 LEU 50 -6.205 -8.025 -8.052 326 HD12 LEU 50 2HD1 LEU 50 -5.441 -8.498 -9.590 327 HD13 LEU 50 3HD1 LEU 50 -5.932 -6.808 -9.322 328 HD21 LEU 50 3HD2 LEU 50 -7.220 -10.263 -9.433 329 HD22 LEU 50 1HD2 LEU 50 -8.736 -9.874 -10.281 330 HD23 LEU 50 2HD2 LEU 50 -7.179 -9.733 -11.131 331 HA PRO 51 HA PRO 51 -8.899 -3.541 -11.624 332 HB3 PRO 51 2HB PRO 51 -8.771 -1.491 -10.583 333 HG3 PRO 51 2HG PRO 51 -8.052 -1.564 -8.393 334 HD3 PRO 51 2HD PRO 51 -8.628 -3.722 -7.847 335 H ALA 52 H ALA 52 -7.625 -3.047 -13.528 336 HA ALA 52 HA ALA 52 -5.715 -5.115 -13.896 337 HB1 ALA 52 1HB ALA 52 -7.302 -3.354 -15.477 338 HB2 ALA 52 2HB ALA 52 -5.604 -3.082 -15.937 339 HB3 ALA 52 3HB ALA 52 -6.297 -4.717 -16.027 340 H LYS 53 H LYS 53 -5.618 -1.602 -13.196 341 HA LYS 53 HA LYS 53 -2.965 -1.124 -13.774 342 HB3 LYS 53 2HB LYS 53 -4.755 0.547 -13.196 343 HG3 LYS 53 2HG LYS 53 -4.502 -0.835 -10.604 344 HD3 LYS 53 2HD LYS 53 -3.252 1.665 -10.638 345 HE3 LYS 53 2HE LYS 53 -6.203 1.957 -10.171 346 HZ1 LYS 53 2HZ LYS 53 -4.708 2.356 -8.015 347 HZ3 LYS 53 1HZ LYS 53 -5.986 3.306 -8.354 348 H LEU 54 H LEU 54 -4.411 -3.104 -11.285 349 HA LEU 54 HA LEU 54 -1.727 -3.515 -10.186 350 HB3 LEU 54 2HB LEU 54 -2.812 -3.811 -7.949 351 HG LEU 54 HG LEU 54 -2.740 -1.124 -9.285 352 HD11 LEU 54 1HD1 LEU 54 -4.037 -1.770 -6.659 353 HD12 LEU 54 2HD1 LEU 54 -3.162 -0.234 -6.864 354 HD13 LEU 54 3HD1 LEU 54 -4.535 -0.625 -7.927 355 HD21 LEU 54 3HD2 LEU 54 -1.188 -1.004 -7.043 356 HD22 LEU 54 1HD2 LEU 54 -1.041 -2.722 -7.488 357 HD23 LEU 54 2HD2 LEU 54 -0.612 -1.456 -8.665 358 H ARG 55 H ARG 55 -2.901 -4.959 -12.324 359 HA ARG 55 HA ARG 55 -3.642 -7.410 -10.940 360 HB3 ARG 55 2HB ARG 55 -4.285 -6.502 -13.792 361 HG3 ARG 55 2HG ARG 55 -5.533 -8.909 -12.472 362 HD3 ARG 55 2HD ARG 55 -4.924 -7.979 -15.305 363 HE ARG 55 HE ARG 55 -4.833 -10.676 -14.527 364 HH11 ARG 55 2HH2 ARG 55 -6.826 -8.715 -16.703 365 HH12 ARG 55 1HH2 ARG 55 -7.177 -10.034 -17.771 366 HH22 ARG 55 1HH ARG 55 -6.266 -12.200 -17.300 367 H HIS 56 H HIS 56 -2.385 -9.266 -11.320 368 HA HIS 56 HA HIS 56 -0.569 -9.269 -13.556 369 HB3 HIS 56 2HB HIS 56 0.996 -9.996 -11.267 370 HD1 HIS 56 1HD HIS 56 0.435 -7.164 -13.793 371 HD2 HIS 56 2HD HIS 56 3.539 -9.420 -12.098 372 HE1 HIS 56 1HE HIS 56 2.569 -6.462 -15.000 373 H GLU 57 H GLU 57 1.021 -11.473 -12.687 374 HA GLU 57 HA GLU 57 -0.962 -13.504 -12.962 375 HB3 GLU 57 2HB GLU 57 1.416 -14.856 -12.697 376 HG3 GLU 57 2HG GLU 57 0.639 -13.352 -15.233 377 HE2 GLU 57 HE GLU 57 3.401 -14.308 -15.442 378 H GLN 58 H GLN 58 1.633 -12.651 -10.568 379 HA GLN 58 HA GLN 58 -0.026 -13.890 -8.549 380 HB3 GLN 58 2HB GLN 58 1.445 -15.710 -8.997 381 HG3 GLN 58 2HG GLN 58 3.252 -13.627 -9.840 382 HE21 GLN 58 1HE2 GLN 58 5.205 -16.168 -9.405 383 HE22 GLN 58 2HE2 GLN 58 6.122 -15.690 -8.015 384 H ILE 59 H ILE 59 -0.506 -11.828 -7.687 385 HA ILE 59 HA ILE 59 1.707 -10.066 -7.076 386 HB ILE 59 HB ILE 59 0.049 -8.460 -6.526 387 HG13 ILE 59 2HG1 ILE 59 -1.482 -10.635 -5.663 388 HG21 ILE 59 1HG2 ILE 59 0.467 -8.877 -8.918 389 HG22 ILE 59 2HG2 ILE 59 -0.897 -10.020 -8.946 390 HG23 ILE 59 3HG2 ILE 59 -1.187 -8.297 -8.607 391 HD11 ILE 59 3HD1 ILE 59 -2.806 -8.973 -4.660 392 HD12 ILE 59 1HD1 ILE 59 -1.278 -8.105 -4.936 393 HD13 ILE 59 2HD1 ILE 59 -2.648 -7.870 -6.048 394 H ILE 60 H ILE 60 1.522 -8.984 -4.756 395 HA ILE 60 HA ILE 60 1.181 -11.185 -2.838 396 HB ILE 60 HB ILE 60 3.554 -10.574 -3.418 397 HG13 ILE 60 2HG1 ILE 60 2.626 -11.640 -1.238 398 HG21 ILE 60 1HG2 ILE 60 2.747 -7.995 -3.251 399 HG22 ILE 60 2HG2 ILE 60 3.443 -8.222 -1.629 400 HG23 ILE 60 3HG2 ILE 60 4.437 -8.530 -3.073 401 HD11 ILE 60 3HD1 ILE 60 4.866 -11.733 -0.301 402 HD12 ILE 60 1HD1 ILE 60 5.024 -11.705 -2.074 403 HD13 ILE 60 2HD1 ILE 60 5.327 -10.227 -1.129 404 H PHE 61 H PHE 61 0.978 -10.237 -0.497 405 HA PHE 61 HA PHE 61 -0.480 -7.712 -0.565 406 HB3 PHE 61 2HB PHE 61 -1.731 -9.643 1.232 407 HD1 PHE 61 1HD PHE 61 -2.366 -8.941 -2.379 408 HD2 PHE 61 2HD PHE 61 -3.613 -8.364 1.636 409 HE1 PHE 61 1HE PHE 61 -4.422 -7.749 -3.188 410 HE2 PHE 61 2HE PHE 61 -5.668 -7.173 0.827 411 HZ PHE 61 HZ PHE 61 -6.049 -6.880 -1.576 412 H HIS 62 H HIS 62 -0.840 -6.819 1.670 413 HA HIS 62 HA HIS 62 0.403 -7.977 3.883 414 HB3 HIS 62 2HB HIS 62 2.382 -7.277 2.324 415 HD1 HIS 62 1HD HIS 62 2.529 -4.565 4.890 416 HD2 HIS 62 2HD HIS 62 2.015 -4.909 0.742 417 HE1 HIS 62 1HE HIS 62 2.855 -2.223 3.934 418 H CYS 63 H CYS 63 0.159 -6.621 5.804 419 HA CYS 63 HA CYS 63 -1.774 -4.488 5.294 420 HB3 CYS 63 2HB CYS 63 -2.569 -6.415 6.655 421 HG CYS 63 HG CYS 63 -0.384 -7.281 7.691 422 H GLN 64 H GLN 64 -1.447 -3.428 8.052 423 HA GLN 64 HA GLN 64 0.246 -1.425 7.669 424 HB3 GLN 64 2HB GLN 64 -1.179 -1.399 9.588 425 HG3 GLN 64 2HG GLN 64 0.375 -3.477 11.095 426 HE21 GLN 64 1HE2 GLN 64 -2.823 -4.134 10.139 427 HE22 GLN 64 2HE2 GLN 64 -3.665 -3.570 11.543 428 H ALA 65 H ALA 65 1.123 -4.570 9.263 429 HA ALA 65 HA ALA 65 3.734 -4.471 8.139 430 HB1 ALA 65 1HB ALA 65 4.139 -2.861 9.907 431 HB2 ALA 65 2HB ALA 65 3.376 -3.925 11.113 432 HB3 ALA 65 3HB ALA 65 4.918 -4.397 10.357 433 H GLY 66 H GLY 66 2.029 -6.366 7.570 434 HA2 GLY 66 1HA GLY 66 1.349 -8.512 7.878 435 HA3 GLY 66 2HA GLY 66 3.059 -8.751 8.177 436 H LYS 67 H LYS 67 -0.154 -8.405 9.641 437 HA LYS 67 HA LYS 67 0.980 -9.460 12.124 438 HB3 LYS 67 2HB LYS 67 -1.262 -7.690 12.639 439 HG3 LYS 67 2HG LYS 67 1.459 -7.008 13.618 440 HD3 LYS 67 2HD LYS 67 -1.289 -6.990 14.526 441 HE3 LYS 67 2HE LYS 67 0.463 -7.981 16.748 442 HZ1 LYS 67 2HZ LYS 67 -1.994 -9.132 16.839 443 HZ3 LYS 67 1HZ LYS 67 -2.337 -7.707 16.131 444 H ARG 68 H ARG 68 0.241 -11.427 10.794 445 HA ARG 68 HA ARG 68 -1.108 -13.126 10.760 446 HB3 ARG 68 2HB ARG 68 -3.549 -12.031 11.993 447 HG3 ARG 68 2HG ARG 68 -2.102 -14.448 11.951 448 HD3 ARG 68 2HD ARG 68 -1.301 -12.940 14.275 449 HE ARG 68 HE ARG 68 -3.554 -14.543 14.900 450 HH11 ARG 68 2HH2 ARG 68 -0.193 -14.213 15.970 451 HH12 ARG 68 1HH2 ARG 68 -0.520 -14.767 17.578 452 HH22 ARG 68 1HH ARG 68 -2.757 -15.386 18.174 453 H THR 69 H THR 69 -1.556 -13.225 8.545 454 HA THR 69 HA THR 69 -3.877 -11.655 7.630 455 HB THR 69 HB THR 69 -2.740 -11.559 5.450 456 HG1 THR 69 1HG THR 69 -0.611 -13.010 6.833 457 HG21 THR 69 3HG2 THR 69 -0.730 -10.304 5.973 458 HG22 THR 69 1HG2 THR 69 -1.883 -9.957 7.285 459 HG23 THR 69 2HG2 THR 69 -0.561 -11.120 7.546 460 H SER 70 H SER 70 -2.212 -14.810 7.711 461 HA SER 70 HA SER 70 -3.809 -16.118 5.913 462 HB3 SER 70 2HB SER 70 -2.298 -17.007 8.386 463 HG SER 70 HG SER 70 -3.757 -18.683 6.525 464 H ASN 71 H ASN 71 -4.576 -14.780 9.029 465 HA ASN 71 HA ASN 71 -6.424 -16.486 10.019 466 HB3 ASN 71 2HB ASN 71 -7.467 -13.804 10.295 467 HD21 ASN 71 1HD2 ASN 71 -5.655 -13.138 12.471 468 HD22 ASN 71 2HD2 ASN 71 -5.951 -14.258 13.760 469 H ASN 72 H ASN 72 -6.786 -13.869 7.531 470 HA ASN 72 HA ASN 72 -9.128 -15.251 6.564 471 HB3 ASN 72 2HB ASN 72 -10.474 -13.196 6.464 472 HD21 ASN 72 1HD2 ASN 72 -11.538 -14.605 7.871 473 HD22 ASN 72 2HD2 ASN 72 -11.455 -14.443 9.593 474 H ALA 73 H ALA 73 -6.783 -15.484 5.268 475 HA ALA 73 HA ALA 73 -6.387 -13.248 3.467 476 HB1 ALA 73 1HB ALA 73 -4.977 -15.870 4.027 477 HB2 ALA 73 2HB ALA 73 -4.569 -14.881 2.605 478 HB3 ALA 73 3HB ALA 73 -4.371 -14.209 4.242 479 H ASP 74 H ASP 74 -7.887 -16.465 3.605 480 HA ASP 74 HA ASP 74 -7.983 -17.145 1.008 481 HB3 ASP 74 2HB ASP 74 -10.580 -17.369 2.478 482 HD2 ASP 74 HD ASP 74 -8.453 -19.899 2.686 483 H LYS 75 H LYS 75 -9.878 -14.672 2.797 484 HA LYS 75 HA LYS 75 -11.774 -14.192 0.769 485 HB3 LYS 75 2HB LYS 75 -11.576 -11.858 2.260 486 HG3 LYS 75 2HG LYS 75 -13.232 -13.570 3.738 487 HD3 LYS 75 2HD LYS 75 -14.535 -12.623 1.292 488 HE3 LYS 75 2HE LYS 75 -15.304 -10.908 3.270 489 HZ1 LYS 75 2HZ LYS 75 -16.379 -13.086 2.085 490 HZ3 LYS 75 1HZ LYS 75 -17.149 -12.201 3.214 491 H LEU 76 H LEU 76 -8.502 -12.929 1.499 492 HA LEU 76 HA LEU 76 -8.582 -10.780 -0.286 493 HB3 LEU 76 2HB LEU 76 -6.122 -10.888 -0.135 494 HG LEU 76 HG LEU 76 -7.500 -11.300 2.533 495 HD11 LEU 76 1HD1 LEU 76 -4.766 -10.132 1.945 496 HD12 LEU 76 2HD1 LEU 76 -5.559 -10.215 3.536 497 HD13 LEU 76 3HD1 LEU 76 -5.090 -11.712 2.696 498 HD21 LEU 76 3HD2 LEU 76 -7.297 -9.017 0.676 499 HD22 LEU 76 1HD2 LEU 76 -8.495 -9.374 1.945 500 HD23 LEU 76 2HD2 LEU 76 -6.929 -8.647 2.377 501 H ALA 77 H ALA 77 -7.660 -14.246 -0.680 502 HA ALA 77 HA ALA 77 -6.672 -14.082 -3.253 503 HB1 ALA 77 1HB ALA 77 -7.661 -16.540 -3.281 504 HB2 ALA 77 2HB ALA 77 -6.314 -16.118 -2.197 505 HB3 ALA 77 3HB ALA 77 -7.974 -16.201 -1.561 506 H ALA 78 H ALA 78 -10.066 -14.657 -2.105 507 HA ALA 78 HA ALA 78 -11.128 -14.776 -4.714 508 HB1 ALA 78 1HB ALA 78 -13.052 -15.266 -3.606 509 HB2 ALA 78 2HB ALA 78 -11.991 -15.377 -2.181 510 HB3 ALA 78 3HB ALA 78 -12.889 -13.875 -2.507 511 H ILE 79 H ILE 79 -10.198 -12.161 -2.533 512 HA ILE 79 HA ILE 79 -11.819 -10.185 -3.778 513 HB ILE 79 HB ILE 79 -10.151 -10.424 -1.506 514 HG13 ILE 79 2HG1 ILE 79 -12.387 -9.553 -1.426 515 HG21 ILE 79 1HG2 ILE 79 -8.377 -9.420 -2.938 516 HG22 ILE 79 2HG2 ILE 79 -9.418 -7.993 -3.158 517 HG23 ILE 79 3HG2 ILE 79 -8.828 -8.422 -1.534 518 HD11 ILE 79 3HD1 ILE 79 -10.837 -7.027 -0.936 519 HD12 ILE 79 1HD1 ILE 79 -12.016 -7.857 0.109 520 HD13 ILE 79 2HD1 ILE 79 -10.352 -8.477 -0.023 521 H ALA 80 H ALA 80 -8.602 -11.598 -4.325 522 HA ALA 80 HA ALA 80 -8.361 -9.828 -6.660 523 HB1 ALA 80 1HB ALA 80 -6.710 -9.115 -5.068 524 HB2 ALA 80 2HB ALA 80 -6.240 -10.793 -4.709 525 HB3 ALA 80 3HB ALA 80 -5.859 -10.082 -6.296 526 H ALA 81 H ALA 81 -9.837 -12.115 -6.926 527 HA ALA 81 HA ALA 81 -7.944 -14.095 -7.976 528 HB1 ALA 81 1HB ALA 81 -9.271 -15.496 -6.815 529 HB2 ALA 81 2HB ALA 81 -10.472 -14.216 -6.516 530 HB3 ALA 81 3HB ALA 81 -10.536 -15.161 -8.023 531 HA PRO 82 HA PRO 82 -8.842 -15.918 -9.039 532 HB3 PRO 82 2HB PRO 82 -9.535 -17.257 -10.781 533 HG3 PRO 82 2HG PRO 82 -10.007 -16.125 -12.735 534 HD3 PRO 82 2HD PRO 82 -10.481 -14.039 -11.895 535 H ALA 83 H ALA 83 -7.125 -13.404 -10.279 536 HA ALA 83 HA ALA 83 -4.580 -14.208 -10.568 537 HB1 ALA 83 1HB ALA 83 -3.985 -11.980 -9.506 538 HB2 ALA 83 2HB ALA 83 -5.214 -11.899 -10.793 539 HB3 ALA 83 3HB ALA 83 -5.707 -11.805 -9.084 540 H GLU 84 H GLU 84 -2.842 -14.869 -9.286 541 HA GLU 84 HA GLU 84 -3.602 -16.062 -6.830 542 HB3 GLU 84 2HB GLU 84 -0.849 -16.299 -6.958 543 HG3 GLU 84 2HG GLU 84 -2.271 -18.145 -8.787 544 HE2 GLU 84 HE GLU 84 -0.657 -19.726 -5.524 545 H ILE 85 H ILE 85 -3.080 -15.431 -4.716 546 HA ILE 85 HA ILE 85 -1.704 -12.842 -4.513 547 HB ILE 85 HB ILE 85 -3.853 -13.837 -2.653 548 HG13 ILE 85 2HG1 ILE 85 -5.446 -12.427 -3.833 549 HG21 ILE 85 1HG2 ILE 85 -3.976 -11.492 -1.979 550 HG22 ILE 85 2HG2 ILE 85 -2.337 -12.146 -1.746 551 HG23 ILE 85 3HG2 ILE 85 -2.684 -11.083 -3.132 552 HD11 ILE 85 3HD1 ILE 85 -4.714 -11.722 -6.229 553 HD12 ILE 85 1HD1 ILE 85 -4.165 -10.712 -4.870 554 HD13 ILE 85 2HD1 ILE 85 -3.049 -11.880 -5.619 555 H PHE 86 H PHE 86 -0.463 -12.519 -2.497 556 HA PHE 86 HA PHE 86 0.260 -15.042 -1.208 557 HB3 PHE 86 2HB PHE 86 2.653 -13.674 -1.349 558 HD1 PHE 86 1HD PHE 86 0.779 -14.970 -4.314 559 HD2 PHE 86 2HD PHE 86 3.968 -15.549 -1.576 560 HE1 PHE 86 1HE PHE 86 1.485 -17.026 -5.569 561 HE2 PHE 86 2HE PHE 86 4.674 -17.604 -2.831 562 HZ PHE 86 HZ PHE 86 3.424 -18.319 -4.813 563 H LEU 87 H LEU 87 1.655 -14.599 0.817 564 HA LEU 87 HA LEU 87 0.690 -12.114 2.054 565 HB3 LEU 87 2HB LEU 87 0.393 -13.230 4.082 566 HG LEU 87 HG LEU 87 -0.497 -15.121 1.894 567 HD11 LEU 87 1HD1 LEU 87 -1.850 -16.292 3.498 568 HD12 LEU 87 2HD1 LEU 87 -0.155 -16.327 4.042 569 HD13 LEU 87 3HD1 LEU 87 -1.311 -15.215 4.809 570 HD21 LEU 87 3HD2 LEU 87 -1.465 -12.613 2.800 571 HD22 LEU 87 1HD2 LEU 87 -2.185 -13.718 1.603 572 HD23 LEU 87 2HD2 LEU 87 -2.628 -13.856 3.321 573 H LEU 88 H LEU 88 2.143 -11.029 3.524 574 HA LEU 88 HA LEU 88 4.938 -11.846 3.128 575 HB3 LEU 88 2HB LEU 88 4.072 -8.988 3.441 576 HG LEU 88 HG LEU 88 6.510 -9.543 3.593 577 HD11 LEU 88 1HD1 LEU 88 7.096 -9.904 0.837 578 HD12 LEU 88 2HD1 LEU 88 7.433 -10.997 2.200 579 HD13 LEU 88 3HD1 LEU 88 5.903 -11.140 1.303 580 HD21 LEU 88 3HD2 LEU 88 6.839 -7.477 2.856 581 HD22 LEU 88 1HD2 LEU 88 6.609 -7.992 1.169 582 HD23 LEU 88 2HD2 LEU 88 5.207 -7.506 2.149 583 H GLU 89 H GLU 89 5.818 -12.536 4.995 584 HA GLU 89 HA GLU 89 4.690 -12.615 7.373 585 HB3 GLU 89 2HB GLU 89 7.641 -11.928 7.149 586 HG3 GLU 89 2HG GLU 89 5.915 -13.010 9.198 587 HE2 GLU 89 HE GLU 89 8.741 -15.027 9.676 588 H ASP 90 H ASP 90 6.431 -9.780 6.005 589 HA ASP 90 HA ASP 90 5.021 -8.118 7.844 590 HB3 ASP 90 2HB ASP 90 7.017 -7.016 8.765 591 HD2 ASP 90 HD ASP 90 7.115 -9.257 11.345 592 H GLY 91 H GLY 91 4.661 -6.093 6.827 593 HA2 GLY 91 1HA GLY 91 5.587 -5.810 4.109 594 HA3 GLY 91 2HA GLY 91 4.477 -4.772 4.981 595 H ILE 92 H ILE 92 5.351 -3.169 6.532 596 HA ILE 92 HA ILE 92 7.484 -1.758 5.490 597 HB ILE 92 HB ILE 92 5.976 -1.714 8.073 598 HG13 ILE 92 2HG1 ILE 92 5.049 0.285 7.245 599 HG21 ILE 92 1HG2 ILE 92 7.221 0.205 8.853 600 HG22 ILE 92 2HG2 ILE 92 8.320 -1.180 8.648 601 HG23 ILE 92 3HG2 ILE 92 8.297 0.126 7.438 602 HD11 ILE 92 3HD1 ILE 92 6.957 1.502 6.436 603 HD12 ILE 92 1HD1 ILE 92 7.348 0.233 5.250 604 HD13 ILE 92 2HD1 ILE 92 5.905 1.251 5.024 605 H ASP 93 H ASP 93 7.349 -4.180 8.156 606 HA ASP 93 HA ASP 93 9.961 -3.823 8.980 607 HB3 ASP 93 2HB ASP 93 8.941 -6.608 9.088 608 HD2 ASP 93 HD ASP 93 8.249 -6.516 11.823 609 H GLY 94 H GLY 94 8.644 -5.048 6.046 610 HA2 GLY 94 1HA GLY 94 10.670 -7.031 5.494 611 HA3 GLY 94 2HA GLY 94 9.408 -6.456 4.423 612 H TRP 95 H TRP 95 9.745 -3.790 4.110 613 HA TRP 95 HA TRP 95 12.026 -3.636 2.475 614 HB3 TRP 95 2HB TRP 95 10.036 -1.596 3.455 615 HD1 TRP 95 HD TRP 95 10.700 0.897 3.089 616 HE1 TRP 95 1HE TRP 95 12.483 2.299 1.740 617 HE3 TRP 95 3HE TRP 95 12.816 -3.080 0.731 618 HZ2 TRP 95 2HZ TRP 95 14.533 1.602 -0.120 619 HZ3 TRP 95 3HZ TRP 95 14.703 -2.632 -0.835 620 HH2 TRP 95 HH TRP 95 15.563 -0.387 -1.275 621 H LYS 96 H LYS 96 11.204 -2.550 5.809 622 HA LYS 96 HA LYS 96 13.710 -1.192 6.118 623 HB3 LYS 96 2HB LYS 96 11.413 -0.667 7.214 624 HG3 LYS 96 2HG LYS 96 11.743 -3.211 8.285 625 HD3 LYS 96 2HD LYS 96 13.618 -2.167 9.727 626 HE3 LYS 96 2HE LYS 96 12.047 -1.168 11.831 627 HZ1 LYS 96 2HZ LYS 96 14.082 -0.143 11.406 628 HZ3 LYS 96 1HZ LYS 96 13.059 1.017 10.898 629 H LYS 97 H LYS 97 12.971 -4.393 5.775 630 HA LYS 97 HA LYS 97 14.243 -5.579 7.968 631 HB3 LYS 97 2HB LYS 97 14.106 -6.743 5.183 632 HG3 LYS 97 2HG LYS 97 15.186 -7.856 7.359 633 HD3 LYS 97 2HD LYS 97 12.273 -8.672 7.679 634 HE3 LYS 97 2HE LYS 97 13.800 -8.887 10.076 635 HZ1 LYS 97 2HZ LYS 97 13.627 -11.374 9.102 636 HZ3 LYS 97 1HZ LYS 97 12.490 -10.657 8.183 637 H ALA 98 H ALA 98 15.448 -3.775 5.239 638 HA ALA 98 HA ALA 98 18.164 -4.664 5.935 639 HB1 ALA 98 1HB ALA 98 16.792 -4.739 3.430 640 HB2 ALA 98 2HB ALA 98 18.042 -3.476 3.319 641 HB3 ALA 98 3HB ALA 98 18.493 -5.140 3.766 642 H GLY 99 H GLY 99 16.441 -2.553 7.172 643 HA2 GLY 99 1HA GLY 99 16.681 -0.446 7.912 644 HA3 GLY 99 2HA GLY 99 18.340 -0.506 7.356 645 H LEU 100 H LEU 100 15.438 -0.942 5.274 646 HA LEU 100 HA LEU 100 16.237 1.519 3.886 647 HB3 LEU 100 2HB LEU 100 15.615 0.575 1.883 648 HG LEU 100 HG LEU 100 17.177 -1.173 3.539 649 HD11 LEU 100 1HD1 LEU 100 16.648 -3.217 1.917 650 HD12 LEU 100 2HD1 LEU 100 15.819 -2.998 3.477 651 HD13 LEU 100 3HD1 LEU 100 15.021 -2.499 1.967 652 HD21 LEU 100 3HD2 LEU 100 18.582 -1.064 1.794 653 HD22 LEU 100 1HD2 LEU 100 17.322 -1.503 0.615 654 HD23 LEU 100 2HD2 LEU 100 17.460 0.177 1.187 655 HA PRO 101 HA PRO 101 12.410 2.905 5.527 656 HB3 PRO 101 2HB PRO 101 13.361 4.751 6.522 657 HG3 PRO 101 2HG PRO 101 15.500 5.233 5.812 658 HD3 PRO 101 2HD PRO 101 16.167 3.158 5.080 659 H VAL 102 H VAL 102 10.395 3.796 4.799 660 HA VAL 102 HA VAL 102 10.085 3.217 2.018 661 HB VAL 102 HB VAL 102 7.716 3.860 2.499 662 HG11 VAL 102 1HG1 VAL 102 7.214 1.848 3.611 663 HG12 VAL 102 2HG1 VAL 102 8.775 1.537 2.813 664 HG13 VAL 102 3HG1 VAL 102 8.721 1.887 4.557 665 HG21 VAL 102 3HG2 VAL 102 7.752 3.788 5.335 666 HG22 VAL 102 1HG2 VAL 102 8.931 5.023 4.833 667 HG23 VAL 102 2HG2 VAL 102 7.245 5.124 4.274 668 H ALA 103 H ALA 103 8.438 4.987 0.883 669 HA ALA 103 HA ALA 103 10.152 7.259 0.520 670 HB1 ALA 103 1HB ALA 103 7.454 7.107 -0.748 671 HB2 ALA 103 2HB ALA 103 9.035 7.498 -1.466 672 HB3 ALA 103 3HB ALA 103 8.597 5.802 -1.143 673 H VAL 104 H VAL 104 9.998 8.139 2.734 674 HA VAL 104 HA VAL 104 7.387 9.198 3.445 675 HB VAL 104 HB VAL 104 9.890 9.648 5.018 676 HG11 VAL 104 1HG1 VAL 104 8.194 9.115 6.883 677 HG12 VAL 104 2HG1 VAL 104 7.997 10.644 5.993 678 HG13 VAL 104 3HG1 VAL 104 6.955 9.252 5.615 679 HG21 VAL 104 3HG2 VAL 104 10.276 7.384 4.640 680 HG22 VAL 104 1HG2 VAL 104 9.304 7.362 6.131 681 HG23 VAL 104 2HG2 VAL 104 8.542 6.992 4.564 682 H ASN 105 H ASN 105 7.466 11.563 4.366 683 HA ASN 105 HA ASN 105 8.083 13.189 2.204 684 HB3 ASN 105 2HB ASN 105 6.323 13.864 3.731 685 HD21 ASN 105 1HD2 ASN 105 5.886 12.465 5.383 686 HD22 ASN 105 2HD2 ASN 105 6.535 12.616 6.982 687 H LYS 106 H LYS 106 10.234 13.582 1.609 688 HA LYS 106 HA LYS 106 11.927 14.975 3.387 689 HB3 LYS 106 2HB LYS 106 12.887 12.185 2.708 690 HG3 LYS 106 2HG LYS 106 14.384 12.905 4.768 691 HD3 LYS 106 2HD LYS 106 14.679 13.143 1.915 692 HE3 LYS 106 2HE LYS 106 14.785 15.649 2.499 693 HZ1 LYS 106 2HZ LYS 106 16.896 16.307 3.550 694 HZ3 LYS 106 1HZ LYS 106 17.278 14.752 3.845 695 H SER 107 H SER 107 12.184 12.638 0.608 696 HA SER 107 HA SER 107 12.762 14.858 -1.103 697 HB3 SER 107 2HB SER 107 14.977 14.067 0.001 698 HG SER 107 HG SER 107 15.050 11.879 -0.184 699 H GLN 108 H GLN 108 11.075 14.348 -2.502 700 HA GLN 108 HA GLN 108 10.306 11.741 -3.056 701 HB3 GLN 108 2HB GLN 108 8.825 13.699 -3.344 702 HG3 GLN 108 2HG GLN 108 10.947 14.924 -4.580 703 HE21 GLN 108 1HE2 GLN 108 11.196 15.975 -6.644 704 HE22 GLN 108 2HE2 GLN 108 10.819 15.133 -8.110 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -4.161 -18.542 -4.535 2 HA ALA 1 HA ALA 1 -4.549 -19.832 -2.242 3 HB1 ALA 1 1HB ALA 1 -3.522 -20.694 -4.380 4 HB2 ALA 1 2HB ALA 1 -1.967 -20.019 -3.839 5 HB3 ALA 1 3HB ALA 1 -2.753 -21.309 -2.897 6 H LEU 2 H LEU 2 -4.285 -19.092 -0.186 7 HA LEU 2 HA LEU 2 -2.443 -17.167 0.564 8 HB3 LEU 2 2HB LEU 2 -4.109 -17.330 2.067 9 HG LEU 2 HG LEU 2 -4.165 -20.226 1.448 10 HD11 LEU 2 1HD1 LEU 2 -4.760 -21.071 3.472 11 HD12 LEU 2 2HD1 LEU 2 -3.644 -19.803 4.027 12 HD13 LEU 2 3HD1 LEU 2 -5.401 -19.520 4.065 13 HD21 LEU 2 3HD2 LEU 2 -5.870 -17.996 1.213 14 HD22 LEU 2 1HD2 LEU 2 -6.210 -19.689 0.778 15 HD23 LEU 2 2HD2 LEU 2 -6.632 -19.083 2.398 16 H THR 3 H THR 3 -0.298 -17.395 0.078 17 HA THR 3 HA THR 3 1.009 -19.771 1.218 18 HB THR 3 HB THR 3 1.987 -18.458 -1.334 19 HG1 THR 3 1HG THR 3 -0.113 -18.983 -1.962 20 HG21 THR 3 3HG2 THR 3 2.100 -21.197 -1.630 21 HG22 THR 3 1HG2 THR 3 3.438 -20.227 -0.969 22 HG23 THR 3 2HG2 THR 3 2.306 -21.048 0.131 23 H THR 4 H THR 4 3.411 -19.408 1.555 24 HA THR 4 HA THR 4 3.872 -16.591 2.286 25 HB THR 4 HB THR 4 4.211 -19.166 3.875 26 HG1 THR 4 1HG THR 4 2.405 -18.032 4.546 27 HG21 THR 4 3HG2 THR 4 5.651 -16.493 4.226 28 HG22 THR 4 1HG2 THR 4 5.359 -17.603 5.587 29 HG23 THR 4 2HG2 THR 4 6.372 -18.120 4.218 30 H ILE 5 H ILE 5 6.089 -15.882 2.269 31 HA ILE 5 HA ILE 5 8.030 -17.661 1.121 32 HB ILE 5 HB ILE 5 8.433 -15.918 -0.751 33 HG13 ILE 5 2HG1 ILE 5 5.566 -15.352 0.010 34 HG21 ILE 5 1HG2 ILE 5 7.348 -18.413 -0.678 35 HG22 ILE 5 2HG2 ILE 5 6.043 -17.491 -1.462 36 HG23 ILE 5 3HG2 ILE 5 7.680 -17.491 -2.165 37 HD11 ILE 5 3HD1 ILE 5 6.773 -13.595 0.890 38 HD12 ILE 5 1HD1 ILE 5 8.148 -13.854 -0.211 39 HD13 ILE 5 2HD1 ILE 5 6.691 -13.014 -0.791 40 H SER 6 H SER 6 9.992 -15.867 0.410 41 HA SER 6 HA SER 6 10.432 -14.600 2.975 42 HB3 SER 6 2HB SER 6 12.809 -14.332 1.646 43 HG SER 6 HG SER 6 11.700 -16.208 3.401 44 HA PRO 7 HA PRO 7 10.113 -10.627 1.229 45 HB3 PRO 7 2HB PRO 7 10.057 -9.625 3.301 46 HG3 PRO 7 2HG PRO 7 11.016 -10.864 4.996 47 HD3 PRO 7 2HD PRO 7 10.815 -12.978 4.118 48 H HIS 8 H HIS 8 13.479 -11.308 2.057 49 HA HIS 8 HA HIS 8 14.646 -9.562 0.343 50 HB3 HIS 8 2HB HIS 8 16.160 -11.971 0.250 51 HD1 HIS 8 1HD HIS 8 18.389 -11.637 1.814 52 HD2 HIS 8 2HD HIS 8 15.844 -8.329 1.396 53 HE1 HIS 8 1HE HIS 8 19.749 -9.595 2.517 54 H ASP 9 H ASP 9 12.990 -12.627 -0.383 55 HA ASP 9 HA ASP 9 13.958 -12.620 -3.070 56 HB3 ASP 9 2HB ASP 9 11.594 -14.293 -2.490 57 HD2 ASP 9 HD ASP 9 14.932 -15.110 -2.234 58 H ALA 10 H ALA 10 11.068 -11.700 -1.164 59 HA ALA 10 HA ALA 10 9.256 -11.430 -3.275 60 HB1 ALA 10 1HB ALA 10 7.880 -10.877 -1.575 61 HB2 ALA 10 2HB ALA 10 9.268 -11.160 -0.497 62 HB3 ALA 10 3HB ALA 10 8.915 -9.516 -1.081 63 H GLN 11 H GLN 11 11.964 -9.453 -2.146 64 HA GLN 11 HA GLN 11 11.058 -7.112 -3.459 65 HB3 GLN 11 2HB GLN 11 13.905 -7.732 -2.575 66 HG3 GLN 11 2HG GLN 11 13.438 -5.151 -1.909 67 HE21 GLN 11 1HE2 GLN 11 13.175 -4.320 -4.910 68 HE22 GLN 11 2HE2 GLN 11 14.759 -4.592 -5.556 69 H GLU 12 H GLU 12 11.990 -10.038 -4.683 70 HA GLU 12 HA GLU 12 13.497 -8.839 -6.864 71 HB3 GLU 12 2HB GLU 12 13.243 -11.701 -5.871 72 HG3 GLU 12 2HG GLU 12 13.875 -10.701 -8.580 73 HE2 GLU 12 HE GLU 12 16.109 -13.640 -7.887 74 H LEU 13 H LEU 13 10.519 -10.566 -5.968 75 HA LEU 13 HA LEU 13 9.753 -11.065 -8.678 76 HB3 LEU 13 2HB LEU 13 8.016 -12.223 -7.809 77 HG LEU 13 HG LEU 13 9.513 -12.009 -5.191 78 HD11 LEU 13 1HD1 LEU 13 7.311 -13.604 -6.154 79 HD12 LEU 13 2HD1 LEU 13 8.686 -14.643 -5.710 80 HD13 LEU 13 3HD1 LEU 13 8.013 -13.501 -4.523 81 HD21 LEU 13 3HD2 LEU 13 11.314 -13.013 -6.014 82 HD22 LEU 13 1HD2 LEU 13 10.328 -14.257 -6.822 83 HD23 LEU 13 2HD2 LEU 13 10.663 -12.714 -7.644 84 H ILE 14 H ILE 14 8.974 -8.649 -6.114 85 HA ILE 14 HA ILE 14 7.016 -7.318 -7.622 86 HB ILE 14 HB ILE 14 8.761 -6.376 -5.345 87 HG13 ILE 14 2HG1 ILE 14 6.924 -8.401 -5.305 88 HG21 ILE 14 1HG2 ILE 14 7.899 -4.449 -6.492 89 HG22 ILE 14 2HG2 ILE 14 6.266 -5.157 -6.554 90 HG23 ILE 14 3HG2 ILE 14 6.972 -4.683 -4.990 91 HD11 ILE 14 3HD1 ILE 14 8.516 -7.007 -3.489 92 HD12 ILE 14 1HD1 ILE 14 6.872 -6.771 -2.848 93 HD13 ILE 14 2HD1 ILE 14 7.500 -8.417 -3.104 94 H ALA 15 H ALA 15 10.583 -7.038 -7.385 95 HA ALA 15 HA ALA 15 10.632 -4.684 -9.023 96 HB1 ALA 15 1HB ALA 15 12.335 -5.902 -7.194 97 HB2 ALA 15 2HB ALA 15 13.122 -6.225 -8.758 98 HB3 ALA 15 3HB ALA 15 12.759 -4.552 -8.272 99 H ARG 16 H ARG 16 10.015 -7.966 -9.592 100 HA ARG 16 HA ARG 16 11.380 -7.973 -12.124 101 HB3 ARG 16 2HB ARG 16 9.821 -10.305 -11.984 102 HG3 ARG 16 2HG ARG 16 12.339 -10.701 -10.595 103 HD3 ARG 16 2HD ARG 16 12.665 -11.323 -13.328 104 HE ARG 16 HE ARG 16 13.146 -13.074 -11.788 105 HH11 ARG 16 2HH2 ARG 16 9.672 -12.380 -11.868 106 HH12 ARG 16 1HH2 ARG 16 9.237 -13.829 -11.026 107 HH22 ARG 16 1HH ARG 16 10.958 -15.347 -10.334 108 H GLY 17 H GLY 17 8.240 -7.339 -10.704 109 HA2 GLY 17 1HA GLY 17 7.002 -6.093 -12.682 110 HA3 GLY 17 2HA GLY 17 6.793 -7.753 -13.204 111 H ALA 18 H ALA 18 6.847 -8.634 -10.226 112 HA ALA 18 HA ALA 18 4.110 -8.808 -9.866 113 HB1 ALA 18 1HB ALA 18 4.709 -10.102 -8.096 114 HB2 ALA 18 2HB ALA 18 6.356 -9.907 -8.743 115 HB3 ALA 18 3HB ALA 18 5.790 -8.856 -7.424 116 H LYS 19 H LYS 19 2.625 -7.716 -8.478 117 HA LYS 19 HA LYS 19 3.543 -5.023 -7.746 118 HB3 LYS 19 2HB LYS 19 0.842 -4.787 -7.877 119 HG3 LYS 19 2HG LYS 19 1.599 -4.340 -10.515 120 HD3 LYS 19 2HD LYS 19 1.224 -2.814 -8.087 121 HE3 LYS 19 2HE LYS 19 3.865 -2.521 -9.034 122 HZ1 LYS 19 2HZ LYS 19 3.923 -0.492 -10.161 123 HZ3 LYS 19 1HZ LYS 19 2.406 -0.061 -9.753 124 H LEU 20 H LEU 20 2.398 -4.070 -5.812 125 HA LEU 20 HA LEU 20 1.677 -6.190 -3.913 126 HB3 LEU 20 2HB LEU 20 3.221 -3.754 -3.088 127 HG LEU 20 HG LEU 20 2.181 -5.881 -1.627 128 HD11 LEU 20 1HD1 LEU 20 3.773 -7.425 -1.104 129 HD12 LEU 20 2HD1 LEU 20 4.232 -7.101 -2.793 130 HD13 LEU 20 3HD1 LEU 20 5.126 -6.326 -1.463 131 HD21 LEU 20 3HD2 LEU 20 2.775 -3.634 -0.810 132 HD22 LEU 20 1HD2 LEU 20 3.409 -4.928 0.235 133 HD23 LEU 20 2HD2 LEU 20 4.498 -4.075 -0.884 134 H ILE 21 H ILE 21 0.178 -5.526 -2.227 135 HA ILE 21 HA ILE 21 -1.108 -2.954 -2.702 136 HB ILE 21 HB ILE 21 -2.582 -5.590 -2.670 137 HG13 ILE 21 2HG1 ILE 21 -3.057 -5.254 -4.975 138 HG21 ILE 21 1HG2 ILE 21 -4.081 -3.226 -3.477 139 HG22 ILE 21 2HG2 ILE 21 -4.480 -4.491 -2.289 140 HG23 ILE 21 3HG2 ILE 21 -3.471 -3.105 -1.809 141 HD11 ILE 21 3HD1 ILE 21 -3.246 -3.137 -5.760 142 HD12 ILE 21 1HD1 ILE 21 -2.362 -2.482 -4.361 143 HD13 ILE 21 2HD1 ILE 21 -1.468 -3.067 -5.784 144 H ASP 22 H ASP 22 -1.087 -1.914 -0.790 145 HA ASP 22 HA ASP 22 -0.834 -3.508 1.585 146 HB3 ASP 22 2HB ASP 22 0.376 -1.713 2.246 147 HD2 ASP 22 HD ASP 22 1.870 -1.227 0.403 148 H ILE 23 H ILE 23 -2.377 -3.333 3.389 149 HA ILE 23 HA ILE 23 -5.007 -2.375 2.513 150 HB ILE 23 HB ILE 23 -5.958 -3.968 4.030 151 HG13 ILE 23 2HG1 ILE 23 -3.370 -3.893 5.271 152 HG21 ILE 23 1HG2 ILE 23 -3.818 -5.135 2.234 153 HG22 ILE 23 2HG2 ILE 23 -5.106 -6.090 3.006 154 HG23 ILE 23 3HG2 ILE 23 -5.524 -4.812 1.838 155 HD11 ILE 23 3HD1 ILE 23 -4.868 -5.534 6.829 156 HD12 ILE 23 1HD1 ILE 23 -5.092 -3.767 6.801 157 HD13 ILE 23 2HD1 ILE 23 -6.161 -4.816 5.839 158 H ARG 24 H ARG 24 -3.266 -0.380 3.268 159 HA ARG 24 HA ARG 24 -3.964 0.103 6.044 160 HB3 ARG 24 2HB ARG 24 -1.539 0.252 5.450 161 HG3 ARG 24 2HG ARG 24 -2.599 2.324 3.497 162 HD3 ARG 24 2HD ARG 24 -0.871 3.539 4.693 163 HE ARG 24 HE ARG 24 0.299 0.967 5.140 164 HH11 ARG 24 2HH2 ARG 24 1.293 4.300 4.461 165 HH12 ARG 24 1HH2 ARG 24 2.825 4.136 5.253 166 HH22 ARG 24 1HH ARG 24 3.408 2.040 6.259 167 H ASP 25 H ASP 25 -3.872 2.872 6.208 168 HA ASP 25 HA ASP 25 -6.311 3.546 4.957 169 HB3 ASP 25 2HB ASP 25 -6.208 5.539 6.256 170 HD2 ASP 25 HD ASP 25 -4.471 4.227 9.387 171 H ALA 26 H ALA 26 -6.097 6.214 4.182 172 HA ALA 26 HA ALA 26 -4.438 5.989 1.805 173 HB1 ALA 26 1HB ALA 26 -6.200 8.348 2.306 174 HB2 ALA 26 2HB ALA 26 -5.962 7.393 0.824 175 HB3 ALA 26 3HB ALA 26 -7.003 6.770 2.127 176 H ASP 27 H ASP 27 -5.194 8.517 4.315 177 HA ASP 27 HA ASP 27 -3.332 10.303 3.750 178 HB3 ASP 27 2HB ASP 27 -4.885 9.608 6.016 179 HD2 ASP 27 HD ASP 27 -1.694 10.798 7.938 180 H GLU 28 H GLU 28 -2.873 7.240 5.639 181 HA GLU 28 HA GLU 28 -0.302 7.601 6.431 182 HB3 GLU 28 2HB GLU 28 -0.237 4.968 6.154 183 HG3 GLU 28 2HG GLU 28 -2.541 5.506 7.876 184 HE2 GLU 28 HE GLU 28 0.793 5.786 9.208 185 H TYR 29 H TYR 29 -1.559 6.406 3.271 186 HA TYR 29 HA TYR 29 1.069 5.891 2.256 187 HB3 TYR 29 2HB TYR 29 -1.825 6.046 1.262 188 HD1 TYR 29 2HD TYR 29 -1.483 7.606 -0.647 189 HD2 TYR 29 1HD TYR 29 0.674 3.923 -0.340 190 HE1 TYR 29 2HE TYR 29 -0.859 7.759 -3.106 191 HE2 TYR 29 1HE TYR 29 1.291 4.090 -2.801 192 HH TYR 29 HH TYR 29 1.111 5.218 -4.627 193 H LEU 30 H LEU 30 -1.109 8.652 2.475 194 HA LEU 30 HA LEU 30 -0.506 10.131 0.295 195 HB3 LEU 30 2HB LEU 30 -0.608 11.258 3.089 196 HG LEU 30 HG LEU 30 -1.587 12.304 0.422 197 HD11 LEU 30 1HD1 LEU 30 -3.206 12.553 2.394 198 HD12 LEU 30 2HD1 LEU 30 -2.008 13.682 3.069 199 HD13 LEU 30 3HD1 LEU 30 -2.760 14.023 1.493 200 HD21 LEU 30 3HD2 LEU 30 -0.180 14.317 1.604 201 HD22 LEU 30 1HD2 LEU 30 0.721 12.885 2.158 202 HD23 LEU 30 2HD2 LEU 30 0.482 13.168 0.416 203 H ARG 31 H ARG 31 1.618 9.278 3.009 204 HA ARG 31 HA ARG 31 3.675 10.878 1.711 205 HB3 ARG 31 2HB ARG 31 4.684 10.280 4.238 206 HG3 ARG 31 2HG ARG 31 3.640 12.595 2.821 207 HD3 ARG 31 2HD ARG 31 3.042 12.396 5.806 208 HE ARG 31 HE ARG 31 2.618 15.000 4.650 209 HH11 ARG 31 2HH2 ARG 31 5.207 12.945 5.930 210 HH12 ARG 31 1HH2 ARG 31 6.207 14.281 6.393 211 HH22 ARG 31 1HH ARG 31 5.441 16.516 5.989 212 H GLU 32 H GLU 32 4.008 8.349 4.260 213 HA GLU 32 HA GLU 32 5.790 6.946 2.475 214 HB3 GLU 32 2HB GLU 32 6.724 7.335 4.644 215 HG3 GLU 32 2HG GLU 32 5.078 5.902 6.457 216 HE2 GLU 32 HE GLU 32 5.639 8.386 8.474 217 H HIS 33 H HIS 33 5.644 4.554 2.240 218 HA HIS 33 HA HIS 33 3.180 3.323 3.018 219 HB3 HIS 33 2HB HIS 33 2.133 4.152 1.167 220 HD1 HIS 33 1HD HIS 33 4.010 2.979 -1.663 221 HD2 HIS 33 2HD HIS 33 4.037 6.477 0.651 222 HE1 HIS 33 1HE HIS 33 5.174 4.759 -3.072 223 H ILE 34 H ILE 34 4.670 2.183 0.070 224 HA ILE 34 HA ILE 34 6.629 0.593 1.480 225 HB ILE 34 HB ILE 34 4.056 -0.417 1.128 226 HG13 ILE 34 2HG1 ILE 34 5.161 -1.392 2.851 227 HG21 ILE 34 1HG2 ILE 34 4.845 -0.655 -1.326 228 HG22 ILE 34 2HG2 ILE 34 5.844 -1.992 -0.708 229 HG23 ILE 34 3HG2 ILE 34 4.074 -2.046 -0.525 230 HD11 ILE 34 3HD1 ILE 34 6.175 -3.339 0.748 231 HD12 ILE 34 1HD1 ILE 34 5.641 -3.688 2.409 232 HD13 ILE 34 2HD1 ILE 34 4.450 -3.230 1.169 233 HA PRO 35 HA PRO 35 8.596 0.886 -2.349 234 HB3 PRO 35 2HB PRO 35 10.551 -0.022 -1.541 235 HG3 PRO 35 2HG PRO 35 10.287 -1.407 0.284 236 HD3 PRO 35 2HD PRO 35 8.306 -0.600 1.125 237 H GLU 36 H GLU 36 6.898 1.054 -3.807 238 HA GLU 36 HA GLU 36 5.998 0.416 -5.705 239 HB3 GLU 36 2HB GLU 36 7.028 -2.423 -5.318 240 HG3 GLU 36 2HG GLU 36 6.396 -0.757 -7.801 241 HE2 GLU 36 HE GLU 36 7.059 -4.390 -8.944 242 H ALA 37 H ALA 37 4.065 0.833 -4.338 243 HA ALA 37 HA ALA 37 2.239 -1.300 -4.501 244 HB1 ALA 37 1HB ALA 37 3.668 -1.928 -2.453 245 HB2 ALA 37 2HB ALA 37 2.926 -0.522 -1.651 246 HB3 ALA 37 3HB ALA 37 1.904 -1.864 -2.217 247 H ASP 38 H ASP 38 0.076 -0.588 -3.404 248 HA ASP 38 HA ASP 38 -0.030 2.273 -3.077 249 HB3 ASP 38 2HB ASP 38 -2.292 1.727 -4.657 250 HD2 ASP 38 HD ASP 38 -2.100 2.869 -6.785 251 H LEU 39 H LEU 39 -1.383 2.643 -1.306 252 HA LEU 39 HA LEU 39 -2.515 0.737 0.208 253 HB3 LEU 39 2HB LEU 39 -2.218 3.122 0.775 254 HG LEU 39 HG LEU 39 -3.799 4.792 0.336 255 HD11 LEU 39 1HD1 LEU 39 -3.418 3.363 -2.309 256 HD12 LEU 39 2HD1 LEU 39 -3.765 5.092 -2.070 257 HD13 LEU 39 3HD1 LEU 39 -2.217 4.410 -1.515 258 HD21 LEU 39 3HD2 LEU 39 -5.972 4.508 -0.160 259 HD22 LEU 39 1HD2 LEU 39 -5.637 3.284 -1.408 260 HD23 LEU 39 2HD2 LEU 39 -5.674 2.816 0.308 261 H ALA 40 H ALA 40 -4.396 -0.471 0.308 262 HA ALA 40 HA ALA 40 -6.613 0.115 -1.373 263 HB1 ALA 40 1HB ALA 40 -4.478 -1.472 -2.471 264 HB2 ALA 40 2HB ALA 40 -5.896 -2.517 -2.215 265 HB3 ALA 40 3HB ALA 40 -6.043 -1.046 -3.207 266 HA PRO 41 HA PRO 41 -7.410 -2.265 2.372 267 HB3 PRO 41 2HB PRO 41 -7.587 -0.510 3.851 268 HG3 PRO 41 2HG PRO 41 -7.620 1.578 2.869 269 HD3 PRO 41 2HD PRO 41 -6.543 1.115 0.892 270 H LEU 42 H LEU 42 -9.316 -3.445 3.164 271 HA LEU 42 HA LEU 42 -10.618 -4.713 1.216 272 HB3 LEU 42 2HB LEU 42 -10.646 -5.112 3.709 273 HG LEU 42 HG LEU 42 -11.904 -2.806 4.107 274 HD11 LEU 42 1HD1 LEU 42 -13.832 -3.156 2.763 275 HD12 LEU 42 2HD1 LEU 42 -14.142 -4.747 3.499 276 HD13 LEU 42 3HD1 LEU 42 -14.354 -3.265 4.461 277 HD21 LEU 42 3HD2 LEU 42 -13.129 -4.268 6.062 278 HD22 LEU 42 1HD2 LEU 42 -11.833 -5.372 5.545 279 HD23 LEU 42 2HD2 LEU 42 -11.434 -3.727 6.096 280 H SER 43 H SER 43 -11.378 -1.460 2.489 281 HA SER 43 HA SER 43 -13.865 -1.145 1.441 282 HB3 SER 43 2HB SER 43 -12.531 1.333 1.059 283 HG SER 43 HG SER 43 -14.281 1.636 2.271 284 H VAL 44 H VAL 44 -10.701 -0.211 -0.108 285 HA VAL 44 HA VAL 44 -11.948 0.327 -2.604 286 HB VAL 44 HB VAL 44 -9.281 0.431 -1.387 287 HG11 VAL 44 1HG1 VAL 44 -8.247 0.589 -3.771 288 HG12 VAL 44 2HG1 VAL 44 -8.483 -1.014 -3.033 289 HG13 VAL 44 3HG1 VAL 44 -9.630 -0.421 -4.258 290 HG21 VAL 44 3HG2 VAL 44 -10.224 2.517 -1.666 291 HG22 VAL 44 1HG2 VAL 44 -9.247 2.398 -3.150 292 HG23 VAL 44 2HG2 VAL 44 -10.998 2.084 -3.210 293 H LEU 45 H LEU 45 -10.167 -2.434 -1.139 294 HA LEU 45 HA LEU 45 -10.003 -3.934 -3.505 295 HB3 LEU 45 2HB LEU 45 -9.793 -5.844 -1.761 296 HG LEU 45 HG LEU 45 -7.842 -3.525 -1.728 297 HD11 LEU 45 1HD1 LEU 45 -6.208 -5.044 -0.798 298 HD12 LEU 45 2HD1 LEU 45 -7.630 -4.966 0.273 299 HD13 LEU 45 3HD1 LEU 45 -7.394 -6.372 -0.793 300 HD21 LEU 45 3HD2 LEU 45 -6.536 -5.136 -3.229 301 HD22 LEU 45 1HD2 LEU 45 -8.076 -6.006 -3.429 302 HD23 LEU 45 2HD2 LEU 45 -7.943 -4.305 -3.937 303 H GLU 46 H GLU 46 -12.683 -2.990 -1.578 304 HA GLU 46 HA GLU 46 -14.191 -5.323 -2.413 305 HB3 GLU 46 2HB GLU 46 -15.991 -4.133 -0.915 306 HG3 GLU 46 2HG GLU 46 -14.167 -4.799 1.119 307 HE2 GLU 46 HE GLU 46 -15.582 -6.011 2.276 308 H GLN 47 H GLN 47 -14.667 -1.714 -2.226 309 HA GLN 47 HA GLN 47 -16.722 -1.765 -4.117 310 HB3 GLN 47 2HB GLN 47 -15.295 0.798 -3.927 311 HG3 GLN 47 2HG GLN 47 -17.836 0.517 -2.479 312 HE21 GLN 47 1HE2 GLN 47 -17.262 2.693 -2.197 313 HE22 GLN 47 2HE2 GLN 47 -17.458 3.872 -3.450 314 H SER 48 H SER 48 -13.180 -1.124 -4.302 315 HA SER 48 HA SER 48 -13.371 -0.528 -7.086 316 HB3 SER 48 2HB SER 48 -11.208 0.221 -6.887 317 HG SER 48 HG SER 48 -11.569 1.362 -5.109 318 H GLY 49 H GLY 49 -11.814 -3.114 -5.047 319 HA2 GLY 49 1HA GLY 49 -11.710 -5.355 -5.452 320 HA3 GLY 49 2HA GLY 49 -12.519 -5.131 -6.991 321 H LEU 50 H LEU 50 -10.354 -6.879 -6.837 322 HA LEU 50 HA LEU 50 -7.837 -6.064 -7.136 323 HB3 LEU 50 2HB LEU 50 -9.069 -7.981 -9.101 324 HG LEU 50 HG LEU 50 -6.529 -8.283 -7.489 325 HD11 LEU 50 1HD1 LEU 50 -6.602 -9.746 -9.956 326 HD12 LEU 50 2HD1 LEU 50 -6.481 -10.351 -8.286 327 HD13 LEU 50 3HD1 LEU 50 -8.078 -10.084 -9.023 328 HD21 LEU 50 3HD2 LEU 50 -6.925 -7.074 -10.223 329 HD22 LEU 50 1HD2 LEU 50 -6.024 -6.427 -8.830 330 HD23 LEU 50 2HD2 LEU 50 -5.387 -7.824 -9.731 331 HA PRO 51 HA PRO 51 -8.394 -3.114 -10.387 332 HB3 PRO 51 2HB PRO 51 -7.885 -1.292 -9.074 333 HG3 PRO 51 2HG PRO 51 -6.972 -1.809 -7.021 334 HD3 PRO 51 2HD PRO 51 -7.783 -3.941 -6.738 335 H ALA 52 H ALA 52 -7.719 -3.120 -12.465 336 HA ALA 52 HA ALA 52 -5.771 -5.056 -13.101 337 HB1 ALA 52 1HB ALA 52 -7.255 -2.904 -14.639 338 HB2 ALA 52 2HB ALA 52 -6.052 -3.960 -15.419 339 HB3 ALA 52 3HB ALA 52 -7.505 -4.666 -14.672 340 H LYS 53 H LYS 53 -5.769 -1.454 -12.884 341 HA LYS 53 HA LYS 53 -3.300 -0.967 -13.973 342 HB3 LYS 53 2HB LYS 53 -4.918 0.767 -13.383 343 HG3 LYS 53 2HG LYS 53 -4.042 0.326 -10.493 344 HD3 LYS 53 2HD LYS 53 -5.467 2.437 -11.925 345 HE3 LYS 53 2HE LYS 53 -7.339 0.761 -10.934 346 HZ1 LYS 53 2HZ LYS 53 -6.188 2.123 -8.622 347 HZ3 LYS 53 1HZ LYS 53 -6.946 0.683 -8.693 348 H LEU 54 H LEU 54 -4.135 -2.662 -11.032 349 HA LEU 54 HA LEU 54 -1.273 -2.828 -10.430 350 HB3 LEU 54 2HB LEU 54 -1.792 -2.789 -8.039 351 HG LEU 54 HG LEU 54 -2.345 -0.420 -9.735 352 HD11 LEU 54 1HD1 LEU 54 -2.734 0.721 -7.298 353 HD12 LEU 54 2HD1 LEU 54 -4.033 0.312 -8.446 354 HD13 LEU 54 3HD1 LEU 54 -3.641 -0.800 -7.113 355 HD21 LEU 54 3HD2 LEU 54 -0.762 -0.091 -7.300 356 HD22 LEU 54 1HD2 LEU 54 -0.184 -1.420 -8.335 357 HD23 LEU 54 2HD2 LEU 54 -0.340 0.224 -9.002 358 H ARG 55 H ARG 55 -2.741 -4.575 -12.117 359 HA ARG 55 HA ARG 55 -3.108 -6.848 -10.338 360 HB3 ARG 55 2HB ARG 55 -4.213 -6.310 -13.139 361 HG3 ARG 55 2HG ARG 55 -4.319 -8.778 -11.361 362 HD3 ARG 55 2HD ARG 55 -6.090 -8.304 -13.794 363 HE ARG 55 HE ARG 55 -5.776 -10.481 -11.820 364 HH11 ARG 55 2HH2 ARG 55 -7.781 -9.083 -14.386 365 HH12 ARG 55 1HH2 ARG 55 -8.637 -10.558 -14.691 366 HH22 ARG 55 1HH ARG 55 -8.104 -12.510 -13.408 367 H HIS 56 H HIS 56 -1.827 -8.701 -10.661 368 HA HIS 56 HA HIS 56 -0.251 -8.822 -13.096 369 HB3 HIS 56 2HB HIS 56 1.430 -9.524 -10.862 370 HD1 HIS 56 1HD HIS 56 3.564 -9.607 -12.142 371 HD2 HIS 56 2HD HIS 56 1.210 -6.313 -13.237 372 HE1 HIS 56 1HE HIS 56 4.916 -8.306 -13.872 373 H GLU 57 H GLU 57 1.383 -11.029 -12.226 374 HA GLU 57 HA GLU 57 -0.626 -13.047 -12.396 375 HB3 GLU 57 2HB GLU 57 2.037 -14.124 -12.021 376 HG3 GLU 57 2HG GLU 57 -0.145 -14.084 -14.038 377 HE2 GLU 57 HE GLU 57 2.963 -15.541 -14.447 378 H GLN 58 H GLN 58 2.168 -12.369 -10.161 379 HA GLN 58 HA GLN 58 0.550 -13.599 -8.073 380 HB3 GLN 58 2HB GLN 58 3.566 -13.913 -8.405 381 HG3 GLN 58 2HG GLN 58 1.542 -14.987 -6.395 382 HE21 GLN 58 1HE2 GLN 58 2.184 -16.948 -7.966 383 HE22 GLN 58 2HE2 GLN 58 3.436 -17.968 -7.341 384 H ILE 59 H ILE 59 -0.096 -11.784 -6.939 385 HA ILE 59 HA ILE 59 1.912 -9.729 -6.437 386 HB ILE 59 HB ILE 59 0.088 -8.321 -5.822 387 HG13 ILE 59 2HG1 ILE 59 -1.205 -10.676 -5.056 388 HG21 ILE 59 1HG2 ILE 59 -1.054 -8.137 -7.909 389 HG22 ILE 59 2HG2 ILE 59 0.598 -8.706 -8.246 390 HG23 ILE 59 3HG2 ILE 59 -0.764 -9.851 -8.290 391 HD11 ILE 59 3HD1 ILE 59 -1.308 -8.023 -4.427 392 HD12 ILE 59 1HD1 ILE 59 -2.836 -8.188 -5.325 393 HD13 ILE 59 2HD1 ILE 59 -2.531 -9.201 -3.893 394 H ILE 60 H ILE 60 1.503 -8.685 -4.076 395 HA ILE 60 HA ILE 60 1.294 -10.892 -2.165 396 HB ILE 60 HB ILE 60 3.579 -8.953 -2.465 397 HG13 ILE 60 2HG1 ILE 60 3.730 -11.014 -3.779 398 HG21 ILE 60 1HG2 ILE 60 2.933 -10.705 -0.076 399 HG22 ILE 60 2HG2 ILE 60 4.444 -9.795 -0.326 400 HG23 ILE 60 3HG2 ILE 60 2.903 -8.925 -0.126 401 HD11 ILE 60 3HD1 ILE 60 5.523 -11.215 -1.320 402 HD12 ILE 60 1HD1 ILE 60 5.886 -11.769 -2.972 403 HD13 ILE 60 2HD1 ILE 60 5.774 -10.027 -2.622 404 H PHE 61 H PHE 61 0.989 -10.057 0.117 405 HA PHE 61 HA PHE 61 -0.151 -7.371 0.141 406 HB3 PHE 61 2HB PHE 61 -1.800 -9.013 1.774 407 HD1 PHE 61 2HD PHE 61 -2.592 -6.567 1.223 408 HD2 PHE 61 1HD PHE 61 -2.826 -9.823 -1.489 409 HE1 PHE 61 2HE PHE 61 -4.381 -5.366 -0.064 410 HE2 PHE 61 1HE PHE 61 -4.615 -8.622 -2.776 411 HZ PHE 61 HZ PHE 61 -5.372 -6.408 -2.048 412 H HIS 62 H HIS 62 -0.016 -6.312 2.163 413 HA HIS 62 HA HIS 62 1.078 -7.873 4.357 414 HB3 HIS 62 2HB HIS 62 2.776 -6.454 2.754 415 HD1 HIS 62 1HD HIS 62 1.278 -4.002 2.631 416 HD2 HIS 62 2HD HIS 62 3.819 -4.721 5.890 417 HE1 HIS 62 1HE HIS 62 1.781 -1.722 3.661 418 H CYS 63 H CYS 63 0.196 -7.296 6.312 419 HA CYS 63 HA CYS 63 -1.864 -5.311 6.221 420 HB3 CYS 63 2HB CYS 63 -2.258 -6.035 8.599 421 HG CYS 63 HG CYS 63 -3.733 -7.833 8.012 422 H GLN 64 H GLN 64 0.788 -5.934 8.638 423 HA GLN 64 HA GLN 64 1.946 -3.421 8.281 424 HB3 GLN 64 2HB GLN 64 0.008 -2.468 9.348 425 HG3 GLN 64 2HG GLN 64 0.421 -4.418 11.658 426 HE21 GLN 64 1HE2 GLN 64 -0.843 -4.048 13.354 427 HE22 GLN 64 2HE2 GLN 64 -2.010 -2.778 13.500 428 H ALA 65 H ALA 65 1.201 -6.141 10.526 429 HA ALA 65 HA ALA 65 3.991 -6.696 10.790 430 HB1 ALA 65 1HB ALA 65 2.959 -6.431 13.493 431 HB2 ALA 65 2HB ALA 65 4.424 -5.725 12.771 432 HB3 ALA 65 3HB ALA 65 2.867 -4.876 12.632 433 H GLY 66 H GLY 66 2.058 -8.198 9.577 434 HA2 GLY 66 1HA GLY 66 1.412 -10.369 9.575 435 HA3 GLY 66 2HA GLY 66 2.045 -10.560 11.198 436 H LYS 67 H LYS 67 0.723 -9.423 13.012 437 HA LYS 67 HA LYS 67 -1.164 -9.300 14.149 438 HB3 LYS 67 2HB LYS 67 -3.218 -8.457 12.737 439 HG3 LYS 67 2HG LYS 67 -1.585 -6.218 12.477 440 HD3 LYS 67 2HD LYS 67 -3.429 -7.351 14.483 441 HE3 LYS 67 2HE LYS 67 -2.607 -5.320 16.051 442 HZ1 LYS 67 2HZ LYS 67 -1.010 -7.729 16.398 443 HZ3 LYS 67 1HZ LYS 67 -2.619 -7.969 16.324 444 H ARG 68 H ARG 68 -3.067 -10.180 11.271 445 HA ARG 68 HA ARG 68 -2.951 -12.936 11.771 446 HB3 ARG 68 2HB ARG 68 -5.755 -12.097 12.266 447 HG3 ARG 68 2HG ARG 68 -3.756 -14.085 13.354 448 HD3 ARG 68 2HD ARG 68 -5.958 -12.815 14.879 449 HE ARG 68 HE ARG 68 -6.120 -15.701 14.266 450 HH11 ARG 68 2HH2 ARG 68 -7.061 -13.089 16.468 451 HH12 ARG 68 1HH2 ARG 68 -8.396 -13.966 17.136 452 HH22 ARG 68 1HH ARG 68 -8.861 -16.181 16.346 453 H THR 69 H THR 69 -2.590 -12.882 9.459 454 HA THR 69 HA THR 69 -4.741 -11.795 7.818 455 HB THR 69 HB THR 69 -3.070 -12.264 5.986 456 HG1 THR 69 1HG THR 69 -1.535 -13.736 6.585 457 HG21 THR 69 3HG2 THR 69 -2.720 -10.396 8.151 458 HG22 THR 69 1HG2 THR 69 -1.123 -11.085 7.780 459 HG23 THR 69 2HG2 THR 69 -2.062 -10.280 6.501 460 H SER 70 H SER 70 -3.484 -14.858 9.034 461 HA SER 70 HA SER 70 -4.608 -16.470 7.071 462 HB3 SER 70 2HB SER 70 -3.970 -17.035 9.999 463 HG SER 70 HG SER 70 -5.377 -18.677 9.150 464 H ASN 71 H ASN 71 -6.003 -14.573 9.624 465 HA ASN 71 HA ASN 71 -8.118 -16.048 10.437 466 HB3 ASN 71 2HB ASN 71 -8.154 -13.061 9.753 467 HD21 ASN 71 1HD2 ASN 71 -8.939 -15.142 12.519 468 HD22 ASN 71 2HD2 ASN 71 -10.599 -14.679 12.687 469 H ASN 72 H ASN 72 -7.701 -14.015 7.471 470 HA ASN 72 HA ASN 72 -9.807 -15.523 6.231 471 HB3 ASN 72 2HB ASN 72 -11.043 -13.529 5.468 472 HD21 ASN 72 1HD2 ASN 72 -10.497 -11.578 8.004 473 HD22 ASN 72 2HD2 ASN 72 -11.536 -12.260 9.211 474 H ALA 73 H ALA 73 -7.269 -15.955 5.551 475 HA ALA 73 HA ALA 73 -6.285 -14.006 3.672 476 HB1 ALA 73 1HB ALA 73 -4.502 -15.816 3.374 477 HB2 ALA 73 2HB ALA 73 -4.655 -15.131 5.009 478 HB3 ALA 73 3HB ALA 73 -5.351 -16.727 4.645 479 H ASP 74 H ASP 74 -8.519 -16.639 3.688 480 HA ASP 74 HA ASP 74 -8.007 -17.521 1.060 481 HB3 ASP 74 2HB ASP 74 -10.748 -17.824 2.224 482 HD2 ASP 74 HD ASP 74 -10.097 -21.333 1.393 483 H LYS 75 H LYS 75 -10.146 -15.136 2.690 484 HA LYS 75 HA LYS 75 -11.809 -14.620 0.481 485 HB3 LYS 75 2HB LYS 75 -11.311 -12.476 2.480 486 HG3 LYS 75 2HG LYS 75 -13.267 -12.878 0.680 487 HD3 LYS 75 2HD LYS 75 -13.695 -15.130 2.141 488 HE3 LYS 75 2HE LYS 75 -15.998 -13.888 3.310 489 HZ1 LYS 75 2HZ LYS 75 -15.255 -15.729 4.429 490 HZ3 LYS 75 1HZ LYS 75 -14.508 -14.626 5.365 491 H LEU 76 H LEU 76 -8.795 -13.057 1.731 492 HA LEU 76 HA LEU 76 -8.720 -11.028 -0.175 493 HB3 LEU 76 2HB LEU 76 -6.335 -10.877 0.431 494 HG LEU 76 HG LEU 76 -8.123 -11.338 2.836 495 HD11 LEU 76 1HD1 LEU 76 -5.389 -10.071 2.580 496 HD12 LEU 76 2HD1 LEU 76 -6.476 -9.784 3.962 497 HD13 LEU 76 3HD1 LEU 76 -5.889 -11.429 3.616 498 HD21 LEU 76 3HD2 LEU 76 -7.727 -9.026 0.985 499 HD22 LEU 76 1HD2 LEU 76 -9.201 -9.619 1.786 500 HD23 LEU 76 2HD2 LEU 76 -7.991 -8.699 2.714 501 H ALA 77 H ALA 77 -7.460 -14.404 -0.195 502 HA ALA 77 HA ALA 77 -6.106 -14.156 -2.646 503 HB1 ALA 77 1HB ALA 77 -6.649 -16.797 -2.488 504 HB2 ALA 77 2HB ALA 77 -5.398 -16.008 -1.497 505 HB3 ALA 77 3HB ALA 77 -7.007 -16.331 -0.808 506 H ALA 78 H ALA 78 -9.496 -14.579 -1.742 507 HA ALA 78 HA ALA 78 -10.210 -15.408 -4.429 508 HB1 ALA 78 1HB ALA 78 -11.510 -15.258 -1.743 509 HB2 ALA 78 2HB ALA 78 -12.566 -15.070 -3.162 510 HB3 ALA 78 3HB ALA 78 -11.578 -16.538 -2.976 511 H ILE 79 H ILE 79 -9.788 -12.521 -2.518 512 HA ILE 79 HA ILE 79 -11.679 -10.944 -3.962 513 HB ILE 79 HB ILE 79 -10.090 -10.718 -1.629 514 HG13 ILE 79 2HG1 ILE 79 -12.453 -10.237 -1.719 515 HG21 ILE 79 1HG2 ILE 79 -9.720 -8.319 -3.436 516 HG22 ILE 79 2HG2 ILE 79 -9.087 -8.561 -1.791 517 HG23 ILE 79 3HG2 ILE 79 -8.465 -9.545 -3.137 518 HD11 ILE 79 3HD1 ILE 79 -12.403 -8.481 -0.230 519 HD12 ILE 79 1HD1 ILE 79 -10.644 -8.738 -0.338 520 HD13 ILE 79 2HD1 ILE 79 -11.418 -7.463 -1.308 521 H ALA 80 H ALA 80 -8.163 -11.656 -4.141 522 HA ALA 80 HA ALA 80 -8.066 -10.018 -6.577 523 HB1 ALA 80 1HB ALA 80 -5.844 -11.001 -4.742 524 HB2 ALA 80 2HB ALA 80 -5.627 -9.984 -6.186 525 HB3 ALA 80 3HB ALA 80 -6.514 -9.353 -4.778 526 H ALA 81 H ALA 81 -9.375 -12.576 -6.588 527 HA ALA 81 HA ALA 81 -7.382 -14.362 -7.752 528 HB1 ALA 81 1HB ALA 81 -9.871 -14.638 -6.276 529 HB2 ALA 81 2HB ALA 81 -9.953 -15.534 -7.812 530 HB3 ALA 81 3HB ALA 81 -8.642 -15.868 -6.655 531 HA PRO 82 HA PRO 82 -8.165 -16.234 -8.823 532 HB3 PRO 82 2HB PRO 82 -8.760 -17.609 -10.571 533 HG3 PRO 82 2HG PRO 82 -9.278 -16.507 -12.530 534 HD3 PRO 82 2HD PRO 82 -9.880 -14.451 -11.695 535 H ALA 83 H ALA 83 -6.623 -13.582 -9.875 536 HA ALA 83 HA ALA 83 -4.036 -14.141 -10.253 537 HB1 ALA 83 1HB ALA 83 -5.594 -11.936 -9.397 538 HB2 ALA 83 2HB ALA 83 -4.245 -12.065 -8.242 539 HB3 ALA 83 3HB ALA 83 -3.914 -11.914 -9.985 540 H GLU 84 H GLU 84 -2.207 -14.748 -9.052 541 HA GLU 84 HA GLU 84 -2.840 -16.276 -6.732 542 HB3 GLU 84 2HB GLU 84 -0.231 -16.628 -6.839 543 HG3 GLU 84 2HG GLU 84 -0.938 -17.815 -9.302 544 HE2 GLU 84 HE GLU 84 0.466 -19.243 -8.615 545 H ILE 85 H ILE 85 -2.876 -15.465 -4.684 546 HA ILE 85 HA ILE 85 -1.355 -13.005 -4.212 547 HB ILE 85 HB ILE 85 -3.561 -14.095 -2.485 548 HG13 ILE 85 2HG1 ILE 85 -5.106 -12.584 -3.718 549 HG21 ILE 85 1HG2 ILE 85 -1.973 -11.598 -2.653 550 HG22 ILE 85 2HG2 ILE 85 -3.710 -11.412 -2.314 551 HG23 ILE 85 3HG2 ILE 85 -2.698 -12.416 -1.248 552 HD11 ILE 85 3HD1 ILE 85 -4.438 -12.006 -6.078 553 HD12 ILE 85 1HD1 ILE 85 -3.510 -11.115 -4.850 554 HD13 ILE 85 2HD1 ILE 85 -2.774 -12.502 -5.687 555 H PHE 86 H PHE 86 -0.175 -12.798 -2.169 556 HA PHE 86 HA PHE 86 0.394 -15.338 -0.863 557 HB3 PHE 86 2HB PHE 86 2.900 -14.223 -1.050 558 HD1 PHE 86 2HD PHE 86 0.970 -15.298 -4.060 559 HD2 PHE 86 1HD PHE 86 3.944 -16.276 -1.196 560 HE1 PHE 86 2HE PHE 86 1.459 -17.427 -5.295 561 HE2 PHE 86 1HE PHE 86 4.434 -18.406 -2.431 562 HZ PHE 86 HZ PHE 86 3.186 -18.956 -4.468 563 H LEU 87 H LEU 87 1.670 -15.011 1.198 564 HA LEU 87 HA LEU 87 1.230 -12.308 2.257 565 HB3 LEU 87 2HB LEU 87 0.380 -13.149 4.268 566 HG LEU 87 HG LEU 87 -0.832 -14.461 1.879 567 HD11 LEU 87 1HD1 LEU 87 -0.807 -15.788 4.387 568 HD12 LEU 87 2HD1 LEU 87 -2.442 -15.124 4.149 569 HD13 LEU 87 3HD1 LEU 87 -1.731 -16.198 2.921 570 HD21 LEU 87 3HD2 LEU 87 -2.359 -12.984 3.977 571 HD22 LEU 87 1HD2 LEU 87 -1.234 -12.069 2.945 572 HD23 LEU 87 2HD2 LEU 87 -2.559 -13.005 2.208 573 H LEU 88 H LEU 88 2.762 -11.611 3.874 574 HA LEU 88 HA LEU 88 5.372 -12.574 3.332 575 HB3 LEU 88 2HB LEU 88 5.207 -10.908 5.673 576 HG LEU 88 HG LEU 88 6.464 -10.810 3.008 577 HD11 LEU 88 1HD1 LEU 88 6.837 -8.352 3.100 578 HD12 LEU 88 2HD1 LEU 88 5.154 -8.812 2.748 579 HD13 LEU 88 3HD1 LEU 88 5.601 -8.249 4.377 580 HD21 LEU 88 3HD2 LEU 88 8.308 -10.779 4.247 581 HD22 LEU 88 1HD2 LEU 88 7.763 -9.342 5.144 582 HD23 LEU 88 2HD2 LEU 88 7.266 -10.966 5.678 583 H GLU 89 H GLU 89 6.842 -13.661 4.732 584 HA GLU 89 HA GLU 89 5.528 -15.577 6.355 585 HB3 GLU 89 2HB GLU 89 7.477 -16.177 4.966 586 HG3 GLU 89 2HG GLU 89 8.596 -13.795 6.139 587 HE2 GLU 89 HE GLU 89 9.897 -17.194 6.832 588 H ASP 90 H ASP 90 4.648 -13.538 7.673 589 HA ASP 90 HA ASP 90 4.539 -12.550 9.598 590 HB3 ASP 90 2HB ASP 90 5.965 -13.368 11.513 591 HD2 ASP 90 HD ASP 90 5.896 -16.510 9.949 592 H GLY 91 H GLY 91 5.378 -10.572 10.490 593 HA2 GLY 91 1HA GLY 91 6.768 -8.822 10.765 594 HA3 GLY 91 2HA GLY 91 8.127 -9.896 10.494 595 H ILE 92 H ILE 92 6.250 -7.321 9.205 596 HA ILE 92 HA ILE 92 6.734 -7.844 6.448 597 HB ILE 92 HB ILE 92 5.523 -5.973 6.049 598 HG13 ILE 92 2HG1 ILE 92 7.016 -4.796 8.353 599 HG21 ILE 92 1HG2 ILE 92 3.657 -6.021 7.398 600 HG22 ILE 92 2HG2 ILE 92 4.432 -7.568 7.814 601 HG23 ILE 92 3HG2 ILE 92 4.605 -6.166 8.898 602 HD11 ILE 92 3HD1 ILE 92 6.927 -4.553 5.496 603 HD12 ILE 92 1HD1 ILE 92 6.351 -3.016 6.183 604 HD13 ILE 92 2HD1 ILE 92 7.948 -3.650 6.642 605 H ASP 93 H ASP 93 8.799 -7.142 8.991 606 HA ASP 93 HA ASP 93 10.377 -5.137 8.361 607 HB3 ASP 93 2HB ASP 93 12.345 -6.828 8.938 608 HD2 ASP 93 HD ASP 93 9.816 -7.692 11.002 609 H GLY 94 H GLY 94 11.780 -8.308 7.424 610 HA2 GLY 94 1HA GLY 94 13.158 -8.754 5.657 611 HA3 GLY 94 2HA GLY 94 11.648 -8.540 4.795 612 H TRP 95 H TRP 95 11.226 -6.591 3.620 613 HA TRP 95 HA TRP 95 13.214 -5.452 2.253 614 HB3 TRP 95 2HB TRP 95 10.515 -4.491 3.076 615 HD1 TRP 95 HD TRP 95 10.238 -1.916 3.406 616 HE1 TRP 95 1HE TRP 95 11.162 0.323 2.360 617 HE3 TRP 95 3HE TRP 95 13.540 -4.139 0.241 618 HZ2 TRP 95 2HZ TRP 95 13.127 0.902 0.371 619 HZ3 TRP 95 3HZ TRP 95 14.922 -2.665 -1.218 620 HH2 TRP 95 HH TRP 95 14.755 -0.227 -1.188 621 H LYS 96 H LYS 96 11.646 -3.658 5.004 622 HA LYS 96 HA LYS 96 13.656 -1.811 5.306 623 HB3 LYS 96 2HB LYS 96 11.408 -1.613 6.267 624 HG3 LYS 96 2HG LYS 96 11.950 -4.177 7.339 625 HD3 LYS 96 2HD LYS 96 12.738 -2.199 9.251 626 HE3 LYS 96 2HE LYS 96 10.198 -3.677 10.087 627 HZ1 LYS 96 2HZ LYS 96 10.958 -3.137 12.115 628 HZ3 LYS 96 1HZ LYS 96 10.887 -1.553 11.743 629 H LYS 97 H LYS 97 13.438 -5.178 6.424 630 HA LYS 97 HA LYS 97 15.384 -5.109 8.390 631 HB3 LYS 97 2HB LYS 97 15.125 -7.490 6.593 632 HG3 LYS 97 2HG LYS 97 14.774 -7.343 9.597 633 HD3 LYS 97 2HD LYS 97 16.224 -9.402 7.888 634 HE3 LYS 97 2HE LYS 97 15.455 -10.882 9.829 635 HZ1 LYS 97 2HZ LYS 97 17.314 -10.290 11.071 636 HZ3 LYS 97 1HZ LYS 97 17.120 -8.686 10.865 637 H ALA 98 H ALA 98 15.616 -4.740 4.916 638 HA ALA 98 HA ALA 98 18.450 -5.371 4.922 639 HB1 ALA 98 1HB ALA 98 16.503 -4.492 2.751 640 HB2 ALA 98 2HB ALA 98 18.219 -4.880 2.477 641 HB3 ALA 98 3HB ALA 98 17.101 -6.143 3.046 642 H GLY 99 H GLY 99 16.884 -2.965 6.301 643 HA2 GLY 99 1HA GLY 99 17.462 -0.864 6.866 644 HA3 GLY 99 2HA GLY 99 18.993 -1.099 6.046 645 H LEU 100 H LEU 100 15.575 -1.167 4.814 646 HA LEU 100 HA LEU 100 16.202 1.194 3.215 647 HB3 LEU 100 2HB LEU 100 15.345 0.188 1.205 648 HG LEU 100 HG LEU 100 17.725 -0.881 2.480 649 HD11 LEU 100 1HD1 LEU 100 17.776 -3.034 1.914 650 HD12 LEU 100 2HD1 LEU 100 16.018 -2.910 1.664 651 HD13 LEU 100 3HD1 LEU 100 17.130 -2.707 0.288 652 HD21 LEU 100 3HD2 LEU 100 17.375 -0.737 -0.482 653 HD22 LEU 100 1HD2 LEU 100 17.276 0.771 0.459 654 HD23 LEU 100 2HD2 LEU 100 18.743 -0.236 0.542 655 HA PRO 101 HA PRO 101 12.266 2.041 4.906 656 HB3 PRO 101 2HB PRO 101 12.934 4.109 5.668 657 HG3 PRO 101 2HG PRO 101 14.901 4.887 4.746 658 HD3 PRO 101 2HD PRO 101 15.877 2.898 4.133 659 H VAL 102 H VAL 102 10.128 3.093 4.181 660 HA VAL 102 HA VAL 102 9.592 1.859 1.645 661 HB VAL 102 HB VAL 102 7.297 2.380 2.136 662 HG11 VAL 102 1HG1 VAL 102 7.260 1.477 4.621 663 HG12 VAL 102 2HG1 VAL 102 7.806 0.444 3.278 664 HG13 VAL 102 3HG1 VAL 102 9.000 1.245 4.328 665 HG21 VAL 102 3HG2 VAL 102 8.330 4.028 4.470 666 HG22 VAL 102 1HG2 VAL 102 7.592 4.666 2.981 667 HG23 VAL 102 2HG2 VAL 102 6.622 3.683 4.105 668 H ALA 103 H ALA 103 7.849 3.375 0.287 669 HA ALA 103 HA ALA 103 9.542 5.471 -0.711 670 HB1 ALA 103 1HB ALA 103 8.514 4.763 -2.581 671 HB2 ALA 103 2HB ALA 103 7.352 3.805 -1.633 672 HB3 ALA 103 3HB ALA 103 7.016 5.517 -1.986 673 H VAL 104 H VAL 104 9.571 7.484 0.144 674 HA VAL 104 HA VAL 104 7.076 8.420 1.386 675 HB VAL 104 HB VAL 104 9.724 9.625 2.031 676 HG11 VAL 104 1HG1 VAL 104 8.358 9.276 4.371 677 HG12 VAL 104 2HG1 VAL 104 8.231 10.714 3.330 678 HG13 VAL 104 3HG1 VAL 104 7.019 9.416 3.205 679 HG21 VAL 104 3HG2 VAL 104 9.753 7.798 3.946 680 HG22 VAL 104 1HG2 VAL 104 8.906 6.825 2.721 681 HG23 VAL 104 2HG2 VAL 104 10.517 7.493 2.368 682 H ASN 105 H ASN 105 7.586 11.126 1.547 683 HA ASN 105 HA ASN 105 7.212 12.905 0.341 684 HB3 ASN 105 2HB ASN 105 9.464 12.116 -1.537 685 HD21 ASN 105 1HD2 ASN 105 10.915 13.921 -1.839 686 HD22 ASN 105 2HD2 ASN 105 10.325 15.546 -1.737 687 H LYS 106 H LYS 106 5.184 12.381 -0.708 688 HA LYS 106 HA LYS 106 5.385 12.076 -3.551 689 HB3 LYS 106 2HB LYS 106 3.629 10.010 -2.311 690 HG3 LYS 106 2HG LYS 106 5.389 10.233 -4.794 691 HD3 LYS 106 2HD LYS 106 3.470 7.962 -4.151 692 HE3 LYS 106 2HE LYS 106 5.380 8.679 -6.328 693 HZ1 LYS 106 2HZ LYS 106 5.406 6.061 -5.006 694 HZ3 LYS 106 1HZ LYS 106 6.628 6.842 -5.747 695 H SER 107 H SER 107 4.648 14.349 -2.623 696 HA SER 107 HA SER 107 1.759 14.216 -2.263 697 HB3 SER 107 2HB SER 107 3.383 16.709 -1.737 698 HG SER 107 HG SER 107 0.845 15.713 -1.137 699 H GLN 108 H GLN 108 1.144 14.104 -4.481 700 HA GLN 108 HA GLN 108 2.107 16.306 -6.120 701 HB3 GLN 108 2HB GLN 108 0.553 13.948 -7.204 702 HG3 GLN 108 2HG GLN 108 2.106 16.188 -8.252 703 HE21 GLN 108 1HE2 GLN 108 2.034 13.980 -10.634 704 HE22 GLN 108 2HE2 GLN 108 3.679 13.440 -10.668 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -2.684 -18.000 -4.593 2 HA ALA 1 HA ALA 1 -3.225 -20.628 -3.595 3 HB1 ALA 1 1HB ALA 1 -0.933 -21.479 -3.889 4 HB2 ALA 1 2HB ALA 1 -1.687 -21.143 -5.467 5 HB3 ALA 1 3HB ALA 1 -0.494 -20.007 -4.792 6 H LEU 2 H LEU 2 -3.569 -19.946 -1.522 7 HA LEU 2 HA LEU 2 -2.455 -17.720 -0.361 8 HB3 LEU 2 2HB LEU 2 -2.905 -19.521 1.715 9 HG LEU 2 HG LEU 2 -4.355 -17.284 0.498 10 HD11 LEU 2 1HD1 LEU 2 -5.908 -19.513 0.593 11 HD12 LEU 2 2HD1 LEU 2 -6.184 -18.837 2.216 12 HD13 LEU 2 3HD1 LEU 2 -6.512 -17.849 0.774 13 HD21 LEU 2 3HD2 LEU 2 -4.381 -18.172 3.381 14 HD22 LEU 2 1HD2 LEU 2 -2.970 -17.371 2.650 15 HD23 LEU 2 2HD2 LEU 2 -4.537 -16.531 2.710 16 H THR 3 H THR 3 -0.282 -17.320 -0.446 17 HA THR 3 HA THR 3 1.415 -19.306 0.895 18 HB THR 3 HB THR 3 2.367 -17.771 -1.549 19 HG1 THR 3 1HG THR 3 0.963 -20.344 -1.336 20 HG21 THR 3 3HG2 THR 3 3.161 -20.212 0.031 21 HG22 THR 3 1HG2 THR 3 3.388 -20.280 -1.734 22 HG23 THR 3 2HG2 THR 3 4.192 -19.011 -0.781 23 H THR 4 H THR 4 3.574 -18.314 1.548 24 HA THR 4 HA THR 4 3.629 -15.468 1.830 25 HB THR 4 HB THR 4 1.915 -16.297 3.578 26 HG1 THR 4 1HG THR 4 2.909 -14.783 5.029 27 HG21 THR 4 3HG2 THR 4 2.892 -17.237 5.651 28 HG22 THR 4 1HG2 THR 4 3.188 -18.358 4.299 29 HG23 THR 4 2HG2 THR 4 4.498 -17.304 4.886 30 H ILE 5 H ILE 5 5.663 -14.693 2.436 31 HA ILE 5 HA ILE 5 7.640 -16.660 3.226 32 HB ILE 5 HB ILE 5 9.167 -15.951 1.395 33 HG13 ILE 5 2HG1 ILE 5 7.802 -13.861 0.859 34 HG21 ILE 5 1HG2 ILE 5 6.639 -17.341 0.468 35 HG22 ILE 5 2HG2 ILE 5 8.266 -17.485 -0.240 36 HG23 ILE 5 3HG2 ILE 5 7.950 -18.106 1.397 37 HD11 ILE 5 3HD1 ILE 5 9.318 -15.657 -0.855 38 HD12 ILE 5 1HD1 ILE 5 8.059 -14.827 -1.803 39 HD13 ILE 5 2HD1 ILE 5 9.250 -13.878 -0.880 40 H SER 6 H SER 6 9.926 -15.123 3.005 41 HA SER 6 HA SER 6 9.260 -13.036 4.886 42 HB3 SER 6 2HB SER 6 10.993 -14.470 5.680 43 HG SER 6 HG SER 6 11.811 -14.433 2.990 44 HA PRO 7 HA PRO 7 10.206 -9.860 2.068 45 HB3 PRO 7 2HB PRO 7 9.477 -8.222 3.513 46 HG3 PRO 7 2HG PRO 7 9.542 -8.807 5.743 47 HD3 PRO 7 2HD PRO 7 9.436 -11.097 5.565 48 H HIS 8 H HIS 8 11.920 -11.658 1.445 49 HA HIS 8 HA HIS 8 14.344 -10.080 1.162 50 HB3 HIS 8 2HB HIS 8 15.095 -12.819 1.576 51 HD1 HIS 8 1HD HIS 8 17.030 -12.877 3.494 52 HD2 HIS 8 2HD HIS 8 15.653 -9.090 2.327 53 HE1 HIS 8 1HE HIS 8 18.779 -11.201 4.296 54 H ASP 9 H ASP 9 12.500 -13.075 0.315 55 HA ASP 9 HA ASP 9 13.842 -13.115 -2.230 56 HB3 ASP 9 2HB ASP 9 11.705 -15.028 -2.112 57 HD2 ASP 9 HD ASP 9 14.778 -15.301 -0.585 58 H ALA 10 H ALA 10 10.773 -12.243 -0.665 59 HA ALA 10 HA ALA 10 9.090 -12.294 -2.891 60 HB1 ALA 10 1HB ALA 10 7.711 -10.731 -1.507 61 HB2 ALA 10 2HB ALA 10 8.270 -12.155 -0.599 62 HB3 ALA 10 3HB ALA 10 9.075 -10.584 -0.372 63 H GLN 11 H GLN 11 11.714 -10.158 -1.951 64 HA GLN 11 HA GLN 11 10.790 -7.958 -3.470 65 HB3 GLN 11 2HB GLN 11 13.677 -8.426 -2.663 66 HG3 GLN 11 2HG GLN 11 13.082 -5.866 -2.009 67 HE21 GLN 11 1HE2 GLN 11 15.306 -6.801 -2.600 68 HE22 GLN 11 2HE2 GLN 11 15.924 -6.396 -4.168 69 H GLU 12 H GLU 12 11.821 -10.999 -4.385 70 HA GLU 12 HA GLU 12 13.333 -10.039 -6.659 71 HB3 GLU 12 2HB GLU 12 12.806 -12.825 -5.549 72 HG3 GLU 12 2HG GLU 12 13.722 -11.957 -8.229 73 HE2 GLU 12 HE GLU 12 15.167 -14.127 -5.760 74 H LEU 13 H LEU 13 10.186 -11.363 -5.716 75 HA LEU 13 HA LEU 13 9.433 -12.006 -8.410 76 HB3 LEU 13 2HB LEU 13 7.571 -12.932 -7.508 77 HG LEU 13 HG LEU 13 9.162 -12.727 -4.938 78 HD11 LEU 13 1HD1 LEU 13 7.635 -15.171 -5.534 79 HD12 LEU 13 2HD1 LEU 13 7.779 -14.235 -4.026 80 HD13 LEU 13 3HD1 LEU 13 6.641 -13.714 -5.293 81 HD21 LEU 13 3HD2 LEU 13 10.572 -13.522 -6.800 82 HD22 LEU 13 1HD2 LEU 13 10.281 -14.780 -5.575 83 HD23 LEU 13 2HD2 LEU 13 9.395 -14.819 -7.118 84 H ILE 14 H ILE 14 8.858 -9.359 -6.029 85 HA ILE 14 HA ILE 14 7.043 -7.963 -7.658 86 HB ILE 14 HB ILE 14 8.840 -6.995 -5.433 87 HG13 ILE 14 2HG1 ILE 14 7.044 -7.432 -3.932 88 HG21 ILE 14 1HG2 ILE 14 8.103 -5.090 -6.650 89 HG22 ILE 14 2HG2 ILE 14 6.448 -5.730 -6.785 90 HG23 ILE 14 3HG2 ILE 14 7.076 -5.215 -5.202 91 HD11 ILE 14 3HD1 ILE 14 5.433 -8.391 -6.342 92 HD12 ILE 14 1HD1 ILE 14 4.894 -8.365 -4.646 93 HD13 ILE 14 2HD1 ILE 14 5.176 -6.837 -5.514 94 H ALA 15 H ALA 15 10.617 -7.992 -7.367 95 HA ALA 15 HA ALA 15 10.892 -5.773 -9.170 96 HB1 ALA 15 1HB ALA 15 13.269 -6.138 -8.847 97 HB2 ALA 15 2HB ALA 15 12.458 -6.294 -7.270 98 HB3 ALA 15 3HB ALA 15 12.971 -7.750 -8.155 99 H ARG 16 H ARG 16 9.902 -8.943 -9.556 100 HA ARG 16 HA ARG 16 11.391 -9.334 -11.992 101 HB3 ARG 16 2HB ARG 16 9.551 -11.440 -11.773 102 HG3 ARG 16 2HG ARG 16 12.351 -11.210 -10.567 103 HD3 ARG 16 2HD ARG 16 10.470 -13.333 -10.362 104 HE ARG 16 HE ARG 16 12.606 -14.407 -12.093 105 HH11 ARG 16 2HH2 ARG 16 9.222 -13.377 -11.878 106 HH12 ARG 16 1HH2 ARG 16 8.734 -14.261 -13.284 107 HH22 ARG 16 1HH ARG 16 10.361 -15.546 -14.487 108 H GLY 17 H GLY 17 8.329 -8.147 -10.813 109 HA2 GLY 17 1HA GLY 17 7.320 -6.917 -12.885 110 HA3 GLY 17 2HA GLY 17 6.981 -8.563 -13.381 111 H ALA 18 H ALA 18 6.830 -9.185 -10.269 112 HA ALA 18 HA ALA 18 4.018 -9.063 -10.142 113 HB1 ALA 18 1HB ALA 18 4.484 -9.817 -7.744 114 HB2 ALA 18 2HB ALA 18 5.168 -10.840 -9.029 115 HB3 ALA 18 3HB ALA 18 6.214 -9.706 -8.143 116 H LYS 19 H LYS 19 2.634 -7.744 -8.881 117 HA LYS 19 HA LYS 19 3.794 -5.141 -8.301 118 HB3 LYS 19 2HB LYS 19 1.201 -4.709 -7.944 119 HG3 LYS 19 2HG LYS 19 1.595 -5.120 -10.808 120 HD3 LYS 19 2HD LYS 19 0.834 -3.044 -8.931 121 HE3 LYS 19 2HE LYS 19 3.202 -2.472 -10.670 122 HZ1 LYS 19 2HZ LYS 19 1.416 -0.214 -10.285 123 HZ3 LYS 19 1HZ LYS 19 0.944 -1.261 -11.441 124 H LEU 20 H LEU 20 2.882 -4.002 -6.269 125 HA LEU 20 HA LEU 20 2.618 -5.944 -4.091 126 HB3 LEU 20 2HB LEU 20 4.413 -3.516 -4.025 127 HG LEU 20 HG LEU 20 3.482 -5.308 -1.942 128 HD11 LEU 20 1HD1 LEU 20 5.793 -6.300 -2.881 129 HD12 LEU 20 2HD1 LEU 20 6.438 -5.067 -1.773 130 HD13 LEU 20 3HD1 LEU 20 5.344 -6.329 -1.158 131 HD21 LEU 20 3HD2 LEU 20 5.115 -2.779 -2.094 132 HD22 LEU 20 1HD2 LEU 20 3.456 -3.013 -1.496 133 HD23 LEU 20 2HD2 LEU 20 4.836 -3.625 -0.554 134 H ILE 21 H ILE 21 0.949 -5.498 -2.729 135 HA ILE 21 HA ILE 21 -0.075 -2.755 -2.751 136 HB ILE 21 HB ILE 21 -1.500 -5.271 -3.468 137 HG13 ILE 21 2HG1 ILE 21 -0.735 -3.455 -5.093 138 HG21 ILE 21 1HG2 ILE 21 -2.879 -2.928 -2.132 139 HG22 ILE 21 2HG2 ILE 21 -3.654 -4.374 -2.823 140 HG23 ILE 21 3HG2 ILE 21 -2.606 -4.523 -1.392 141 HD11 ILE 21 3HD1 ILE 21 -3.520 -4.581 -4.827 142 HD12 ILE 21 1HD1 ILE 21 -3.207 -3.382 -6.104 143 HD13 ILE 21 2HD1 ILE 21 -2.283 -4.903 -6.067 144 H ASP 22 H ASP 22 -1.324 -2.210 -0.796 145 HA ASP 22 HA ASP 22 -1.023 -4.103 1.354 146 HB3 ASP 22 2HB ASP 22 -0.181 -1.264 1.918 147 HD2 ASP 22 HD ASP 22 -0.765 -3.977 3.851 148 H ILE 23 H ILE 23 -2.554 -3.627 3.112 149 HA ILE 23 HA ILE 23 -4.661 -1.802 2.266 150 HB ILE 23 HB ILE 23 -6.036 -2.979 3.886 151 HG13 ILE 23 2HG1 ILE 23 -4.060 -3.452 5.450 152 HG21 ILE 23 1HG2 ILE 23 -5.040 -5.372 2.633 153 HG22 ILE 23 2HG2 ILE 23 -6.512 -4.435 2.283 154 HG23 ILE 23 3HG2 ILE 23 -4.977 -4.010 1.489 155 HD11 ILE 23 3HD1 ILE 23 -5.240 -6.003 5.623 156 HD12 ILE 23 1HD1 ILE 23 -5.778 -4.530 6.464 157 HD13 ILE 23 2HD1 ILE 23 -6.500 -4.976 4.901 158 H ARG 24 H ARG 24 -2.329 -0.482 3.050 159 HA ARG 24 HA ARG 24 -2.227 0.045 5.761 160 HB3 ARG 24 2HB ARG 24 -0.952 2.117 5.039 161 HG3 ARG 24 2HG ARG 24 0.289 0.337 3.141 162 HD3 ARG 24 2HD ARG 24 1.539 1.756 4.719 163 HE ARG 24 HE ARG 24 -0.082 0.373 6.763 164 HH11 ARG 24 2HH2 ARG 24 2.735 2.424 6.124 165 HH12 ARG 24 1HH2 ARG 24 2.819 3.028 7.745 166 HH22 ARG 24 1HH ARG 24 1.216 2.277 9.361 167 H ASP 25 H ASP 25 -2.425 2.702 6.326 168 HA ASP 25 HA ASP 25 -5.253 3.165 5.913 169 HB3 ASP 25 2HB ASP 25 -3.201 4.187 7.911 170 HD2 ASP 25 HD ASP 25 -6.715 4.684 7.347 171 H ALA 26 H ALA 26 -5.812 5.681 5.800 172 HA ALA 26 HA ALA 26 -4.498 6.728 3.530 173 HB1 ALA 26 1HB ALA 26 -6.887 7.169 5.055 174 HB2 ALA 26 2HB ALA 26 -6.043 8.726 4.885 175 HB3 ALA 26 3HB ALA 26 -6.476 7.787 3.436 176 H ASP 27 H ASP 27 -4.774 7.997 6.932 177 HA ASP 27 HA ASP 27 -2.997 10.023 6.639 178 HB3 ASP 27 2HB ASP 27 -4.357 8.694 8.768 179 HD2 ASP 27 HD ASP 27 -0.766 9.634 9.389 180 H GLU 28 H GLU 28 -2.491 6.530 6.920 181 HA GLU 28 HA GLU 28 0.226 6.745 7.711 182 HB3 GLU 28 2HB GLU 28 0.176 4.224 7.059 183 HG3 GLU 28 2HG GLU 28 -1.550 3.803 9.023 184 HE2 GLU 28 HE GLU 28 -0.357 4.141 11.300 185 H TYR 29 H TYR 29 -1.501 7.171 4.775 186 HA TYR 29 HA TYR 29 0.850 6.461 3.171 187 HB3 TYR 29 2HB TYR 29 -1.755 7.416 1.993 188 HD1 TYR 29 2HD TYR 29 0.110 4.173 2.384 189 HD2 TYR 29 1HD TYR 29 -1.473 7.119 -0.284 190 HE1 TYR 29 2HE TYR 29 0.896 2.802 0.392 191 HE2 TYR 29 1HE TYR 29 -0.683 5.737 -2.267 192 HH TYR 29 HH TYR 29 0.101 3.796 -2.906 193 H LEU 30 H LEU 30 -0.430 9.084 4.816 194 HA LEU 30 HA LEU 30 -0.359 11.101 2.880 195 HB3 LEU 30 2HB LEU 30 -0.325 10.934 5.848 196 HG LEU 30 HG LEU 30 1.280 12.763 5.453 197 HD11 LEU 30 1HD1 LEU 30 1.070 14.357 3.893 198 HD12 LEU 30 2HD1 LEU 30 -0.102 13.247 3.144 199 HD13 LEU 30 3HD1 LEU 30 -0.672 14.568 4.192 200 HD21 LEU 30 3HD2 LEU 30 -1.142 12.873 6.917 201 HD22 LEU 30 1HD2 LEU 30 0.386 13.727 7.237 202 HD23 LEU 30 2HD2 LEU 30 -0.868 14.493 6.233 203 H ARG 31 H ARG 31 2.131 10.069 5.319 204 HA ARG 31 HA ARG 31 4.050 11.651 3.889 205 HB3 ARG 31 2HB ARG 31 4.957 9.875 6.120 206 HG3 ARG 31 2HG ARG 31 5.214 12.820 5.384 207 HD3 ARG 31 2HD ARG 31 5.166 11.946 8.003 208 HE ARG 31 HE ARG 31 7.170 10.674 8.105 209 HH11 ARG 31 2HH2 ARG 31 7.780 13.852 6.662 210 HH12 ARG 31 1HH2 ARG 31 9.502 13.719 6.791 211 HH22 ARG 31 1HH ARG 31 10.457 11.737 7.742 212 H GLU 32 H GLU 32 3.938 8.239 5.181 213 HA GLU 32 HA GLU 32 5.943 7.442 3.344 214 HB3 GLU 32 2HB GLU 32 5.617 5.198 4.338 215 HG3 GLU 32 2HG GLU 32 5.629 7.580 6.231 216 HE2 GLU 32 HE GLU 32 6.483 5.486 8.920 217 H HIS 33 H HIS 33 5.667 5.690 1.707 218 HA HIS 33 HA HIS 33 2.929 5.365 0.791 219 HB3 HIS 33 2HB HIS 33 3.814 5.814 -1.587 220 HD1 HIS 33 1HD HIS 33 1.502 6.996 -1.541 221 HD2 HIS 33 2HD HIS 33 4.526 9.077 0.488 222 HE1 HIS 33 1HE HIS 33 0.577 9.328 -1.076 223 H ILE 34 H ILE 34 5.356 3.849 2.065 224 HA ILE 34 HA ILE 34 6.312 1.864 1.908 225 HB ILE 34 HB ILE 34 3.616 1.569 1.247 226 HG13 ILE 34 2HG1 ILE 34 4.237 0.375 3.077 227 HG21 ILE 34 1HG2 ILE 34 5.337 -0.146 -0.565 228 HG22 ILE 34 2HG2 ILE 34 3.593 -0.357 -0.279 229 HG23 ILE 34 3HG2 ILE 34 4.191 1.119 -1.072 230 HD11 ILE 34 3HD1 ILE 34 4.715 -1.706 0.893 231 HD12 ILE 34 1HD1 ILE 34 4.333 -2.049 2.598 232 HD13 ILE 34 2HD1 ILE 34 3.125 -1.258 1.557 233 HA PRO 35 HA PRO 35 8.695 1.598 -1.680 234 HB3 PRO 35 2HB PRO 35 10.241 0.209 -0.687 235 HG3 PRO 35 2HG PRO 35 9.422 -1.043 1.069 236 HD3 PRO 35 2HD PRO 35 7.643 0.266 1.710 237 H GLU 36 H GLU 36 7.512 2.160 -3.444 238 HA GLU 36 HA GLU 36 6.135 1.862 -5.125 239 HB3 GLU 36 2HB GLU 36 7.338 -0.802 -5.787 240 HG3 GLU 36 2HG GLU 36 6.120 0.369 -7.533 241 HE2 GLU 36 HE GLU 36 8.835 2.387 -7.600 242 H ALA 37 H ALA 37 4.032 1.580 -4.361 243 HA ALA 37 HA ALA 37 2.948 -1.049 -4.633 244 HB1 ALA 37 1HB ALA 37 2.639 0.218 -1.901 245 HB2 ALA 37 2HB ALA 37 2.300 -1.455 -2.403 246 HB3 ALA 37 3HB ALA 37 3.984 -0.895 -2.255 247 H ASP 38 H ASP 38 0.462 -0.729 -3.548 248 HA ASP 38 HA ASP 38 -0.432 1.921 -4.211 249 HB3 ASP 38 2HB ASP 38 -2.266 0.111 -5.486 250 HD2 ASP 38 HD ASP 38 0.591 1.712 -6.643 251 H LEU 39 H LEU 39 -2.047 2.443 -2.713 252 HA LEU 39 HA LEU 39 -2.796 0.653 -0.729 253 HB3 LEU 39 2HB LEU 39 -4.398 3.073 -1.511 254 HG LEU 39 HG LEU 39 -4.602 1.460 0.706 255 HD11 LEU 39 1HD1 LEU 39 -3.592 3.603 2.255 256 HD12 LEU 39 2HD1 LEU 39 -3.041 1.911 2.212 257 HD13 LEU 39 3HD1 LEU 39 -2.300 3.116 1.131 258 HD21 LEU 39 3HD2 LEU 39 -5.208 4.378 0.988 259 HD22 LEU 39 1HD2 LEU 39 -6.017 3.442 -0.291 260 HD23 LEU 39 2HD2 LEU 39 -6.191 2.955 1.412 261 H ALA 40 H ALA 40 -4.670 -0.580 -0.341 262 HA ALA 40 HA ALA 40 -6.866 -0.570 -2.107 263 HB1 ALA 40 1HB ALA 40 -4.962 -2.930 -2.388 264 HB2 ALA 40 2HB ALA 40 -6.514 -2.700 -3.227 265 HB3 ALA 40 3HB ALA 40 -5.141 -1.629 -3.589 266 HA PRO 41 HA PRO 41 -7.304 -2.434 2.011 267 HB3 PRO 41 2HB PRO 41 -7.349 -0.534 3.310 268 HG3 PRO 41 2HG PRO 41 -7.451 1.441 2.124 269 HD3 PRO 41 2HD PRO 41 -6.543 0.763 0.123 270 H LEU 42 H LEU 42 -9.087 -3.578 3.023 271 HA LEU 42 HA LEU 42 -10.589 -4.947 1.285 272 HB3 LEU 42 2HB LEU 42 -10.460 -5.581 3.560 273 HG LEU 42 HG LEU 42 -10.991 -2.928 4.258 274 HD11 LEU 42 1HD1 LEU 42 -13.216 -4.574 5.443 275 HD12 LEU 42 2HD1 LEU 42 -12.997 -2.808 5.435 276 HD13 LEU 42 3HD1 LEU 42 -13.445 -3.655 3.936 277 HD21 LEU 42 3HD2 LEU 42 -9.592 -4.721 5.388 278 HD22 LEU 42 1HD2 LEU 42 -10.493 -3.618 6.457 279 HD23 LEU 42 2HD2 LEU 42 -11.097 -5.267 6.166 280 H SER 43 H SER 43 -11.264 -1.665 2.551 281 HA SER 43 HA SER 43 -13.853 -1.436 1.730 282 HB3 SER 43 2HB SER 43 -12.092 0.948 1.318 283 HG SER 43 HG SER 43 -13.942 1.060 3.358 284 H VAL 44 H VAL 44 -10.823 -0.561 -0.086 285 HA VAL 44 HA VAL 44 -12.283 0.003 -2.470 286 HB VAL 44 HB VAL 44 -9.345 -0.338 -1.848 287 HG11 VAL 44 1HG1 VAL 44 -9.878 -0.868 -4.232 288 HG12 VAL 44 2HG1 VAL 44 -10.576 0.762 -4.396 289 HG13 VAL 44 3HG1 VAL 44 -8.845 0.567 -4.029 290 HG21 VAL 44 3HG2 VAL 44 -10.212 1.591 -0.745 291 HG22 VAL 44 1HG2 VAL 44 -9.365 2.170 -2.200 292 HG23 VAL 44 2HG2 VAL 44 -11.142 2.080 -2.183 293 H LEU 45 H LEU 45 -10.517 -2.782 -1.074 294 HA LEU 45 HA LEU 45 -10.486 -4.294 -3.452 295 HB3 LEU 45 2HB LEU 45 -10.363 -6.147 -1.485 296 HG LEU 45 HG LEU 45 -8.090 -4.260 -2.167 297 HD11 LEU 45 1HD1 LEU 45 -6.932 -6.663 -1.643 298 HD12 LEU 45 2HD1 LEU 45 -7.092 -5.337 -0.466 299 HD13 LEU 45 3HD1 LEU 45 -8.274 -6.668 -0.472 300 HD21 LEU 45 3HD2 LEU 45 -8.083 -5.148 -4.196 301 HD22 LEU 45 1HD2 LEU 45 -7.825 -6.757 -3.480 302 HD23 LEU 45 2HD2 LEU 45 -9.477 -6.173 -3.782 303 H GLU 46 H GLU 46 -13.007 -3.349 -1.287 304 HA GLU 46 HA GLU 46 -14.615 -5.625 -2.103 305 HB3 GLU 46 2HB GLU 46 -16.263 -4.415 -0.404 306 HG3 GLU 46 2HG GLU 46 -13.990 -5.451 1.164 307 HE2 GLU 46 HE GLU 46 -15.297 -5.496 2.798 308 H GLN 47 H GLN 47 -14.469 -2.022 -2.155 309 HA GLN 47 HA GLN 47 -16.910 -1.831 -3.583 310 HB3 GLN 47 2HB GLN 47 -15.162 0.513 -3.791 311 HG3 GLN 47 2HG GLN 47 -17.362 0.670 -1.872 312 HE21 GLN 47 1HE2 GLN 47 -18.720 2.419 -2.385 313 HE22 GLN 47 2HE2 GLN 47 -18.269 3.630 -3.537 314 H SER 48 H SER 48 -13.506 -2.284 -4.366 315 HA SER 48 HA SER 48 -14.230 -2.000 -7.176 316 HB3 SER 48 2HB SER 48 -11.356 -1.712 -6.615 317 HG SER 48 HG SER 48 -11.823 0.331 -7.831 318 H GLY 49 H GLY 49 -11.595 -3.358 -5.050 319 HA2 GLY 49 1HA GLY 49 -11.144 -5.623 -4.774 320 HA3 GLY 49 2HA GLY 49 -12.075 -6.003 -6.209 321 H LEU 50 H LEU 50 -9.785 -7.294 -6.247 322 HA LEU 50 HA LEU 50 -7.417 -6.222 -6.832 323 HB3 LEU 50 2HB LEU 50 -8.873 -8.588 -7.948 324 HG LEU 50 HG LEU 50 -7.064 -7.640 -9.612 325 HD11 LEU 50 1HD1 LEU 50 -4.835 -8.010 -9.155 326 HD12 LEU 50 2HD1 LEU 50 -5.441 -7.469 -7.570 327 HD13 LEU 50 3HD1 LEU 50 -5.179 -9.203 -7.878 328 HD21 LEU 50 3HD2 LEU 50 -6.405 -10.444 -9.174 329 HD22 LEU 50 1HD2 LEU 50 -8.156 -10.137 -9.096 330 HD23 LEU 50 2HD2 LEU 50 -7.231 -9.657 -10.539 331 HA PRO 51 HA PRO 51 -8.592 -3.633 -10.220 332 HB3 PRO 51 2HB PRO 51 -8.200 -1.663 -9.094 333 HG3 PRO 51 2HG PRO 51 -7.062 -1.903 -7.102 334 HD3 PRO 51 2HD PRO 51 -7.585 -4.083 -6.595 335 H ALA 52 H ALA 52 -8.155 -3.894 -12.326 336 HA ALA 52 HA ALA 52 -6.135 -5.629 -13.057 337 HB1 ALA 52 1HB ALA 52 -6.712 -5.019 -15.312 338 HB2 ALA 52 2HB ALA 52 -8.208 -4.946 -14.351 339 HB3 ALA 52 3HB ALA 52 -7.354 -3.445 -14.786 340 H LYS 53 H LYS 53 -6.184 -2.041 -12.802 341 HA LYS 53 HA LYS 53 -3.831 -1.464 -14.074 342 HB3 LYS 53 2HB LYS 53 -5.531 0.143 -13.164 343 HG3 LYS 53 2HG LYS 53 -4.483 -0.960 -10.635 344 HD3 LYS 53 2HD LYS 53 -3.494 1.571 -11.160 345 HE3 LYS 53 2HE LYS 53 -5.455 2.420 -9.188 346 HZ1 LYS 53 2HZ LYS 53 -5.658 4.235 -10.835 347 HZ3 LYS 53 1HZ LYS 53 -4.753 3.403 -11.902 348 H LEU 54 H LEU 54 -4.368 -3.261 -11.121 349 HA LEU 54 HA LEU 54 -1.460 -3.384 -10.783 350 HB3 LEU 54 2HB LEU 54 -1.750 -3.427 -8.365 351 HG LEU 54 HG LEU 54 -2.613 -1.033 -9.899 352 HD11 LEU 54 1HD1 LEU 54 -4.290 -0.820 -8.272 353 HD12 LEU 54 2HD1 LEU 54 -3.227 -1.406 -6.969 354 HD13 LEU 54 3HD1 LEU 54 -2.954 0.199 -7.685 355 HD21 LEU 54 3HD2 LEU 54 -0.797 -0.011 -8.473 356 HD22 LEU 54 1HD2 LEU 54 -0.496 -1.641 -7.827 357 HD23 LEU 54 2HD2 LEU 54 -0.282 -1.319 -9.565 358 H ARG 55 H ARG 55 -3.026 -5.105 -12.407 359 HA ARG 55 HA ARG 55 -2.985 -7.481 -10.723 360 HB3 ARG 55 2HB ARG 55 -4.734 -7.101 -13.200 361 HG3 ARG 55 2HG ARG 55 -5.290 -8.970 -10.893 362 HD3 ARG 55 2HD ARG 55 -5.878 -8.884 -13.880 363 HE ARG 55 HE ARG 55 -5.819 -11.253 -12.115 364 HH11 ARG 55 2HH2 ARG 55 -7.054 -9.832 -15.117 365 HH12 ARG 55 1HH2 ARG 55 -7.420 -11.364 -15.838 366 HH22 ARG 55 1HH ARG 55 -6.972 -13.375 -14.613 367 H HIS 56 H HIS 56 -2.028 -9.388 -11.663 368 HA HIS 56 HA HIS 56 -1.217 -9.386 -14.381 369 HB3 HIS 56 2HB HIS 56 1.240 -9.662 -12.868 370 HD1 HIS 56 1HD HIS 56 1.428 -10.303 -15.587 371 HD2 HIS 56 2HD HIS 56 1.120 -6.257 -14.526 372 HE1 HIS 56 1HE HIS 56 2.265 -8.971 -17.597 373 H GLU 57 H GLU 57 0.955 -11.288 -14.032 374 HA GLU 57 HA GLU 57 -0.524 -13.588 -13.812 375 HB3 GLU 57 2HB GLU 57 2.468 -13.461 -13.298 376 HG3 GLU 57 2HG GLU 57 0.634 -15.405 -14.776 377 HE2 GLU 57 HE GLU 57 2.879 -14.797 -16.575 378 H GLN 58 H GLN 58 1.684 -12.003 -11.416 379 HA GLN 58 HA GLN 58 0.179 -13.334 -9.345 380 HB3 GLN 58 2HB GLN 58 1.978 -14.907 -9.603 381 HG3 GLN 58 2HG GLN 58 3.968 -12.615 -9.333 382 HE21 GLN 58 1HE2 GLN 58 4.991 -14.055 -7.846 383 HE22 GLN 58 2HE2 GLN 58 5.905 -15.418 -8.404 384 H ILE 59 H ILE 59 0.282 -12.220 -7.281 385 HA ILE 59 HA ILE 59 1.840 -9.770 -7.232 386 HB ILE 59 HB ILE 59 -0.126 -8.969 -8.262 387 HG13 ILE 59 2HG1 ILE 59 0.810 -7.636 -6.375 388 HG21 ILE 59 1HG2 ILE 59 -2.240 -9.680 -7.931 389 HG22 ILE 59 2HG2 ILE 59 -1.426 -11.111 -7.256 390 HG23 ILE 59 3HG2 ILE 59 -2.034 -9.839 -6.171 391 HD11 ILE 59 3HD1 ILE 59 -1.733 -7.391 -7.659 392 HD12 ILE 59 1HD1 ILE 59 -1.963 -6.927 -5.956 393 HD13 ILE 59 2HD1 ILE 59 -0.743 -6.095 -6.949 394 H ILE 60 H ILE 60 1.708 -8.745 -4.983 395 HA ILE 60 HA ILE 60 1.446 -10.922 -3.030 396 HB ILE 60 HB ILE 60 3.714 -9.682 -3.672 397 HG13 ILE 60 2HG1 ILE 60 3.092 -11.541 -1.935 398 HG21 ILE 60 1HG2 ILE 60 4.214 -7.763 -2.536 399 HG22 ILE 60 2HG2 ILE 60 2.481 -7.494 -2.843 400 HG23 ILE 60 3HG2 ILE 60 3.023 -8.074 -1.250 401 HD11 ILE 60 3HD1 ILE 60 5.345 -11.723 -2.012 402 HD12 ILE 60 1HD1 ILE 60 5.483 -10.022 -2.518 403 HD13 ILE 60 2HD1 ILE 60 5.469 -10.437 -0.787 404 H PHE 61 H PHE 61 1.398 -9.569 -0.665 405 HA PHE 61 HA PHE 61 -0.236 -7.291 -0.666 406 HB3 PHE 61 2HB PHE 61 -1.988 -9.220 0.542 407 HD1 PHE 61 1HD PHE 61 -2.983 -6.854 0.405 408 HD2 PHE 61 2HD PHE 61 -2.470 -9.358 -2.983 409 HE1 PHE 61 1HE PHE 61 -4.679 -5.499 -0.854 410 HE2 PHE 61 2HE PHE 61 -4.167 -8.003 -4.241 411 HZ PHE 61 HZ PHE 61 -5.252 -6.089 -3.161 412 H HIS 62 H HIS 62 -0.461 -6.440 1.446 413 HA HIS 62 HA HIS 62 0.848 -8.080 3.493 414 HB3 HIS 62 2HB HIS 62 0.821 -5.263 4.119 415 HD1 HIS 62 1HD HIS 62 2.046 -6.668 6.103 416 HD2 HIS 62 2HD HIS 62 4.082 -6.426 2.443 417 HE1 HIS 62 1HE HIS 62 4.470 -7.305 6.589 418 H CYS 63 H CYS 63 0.174 -6.773 5.795 419 HA CYS 63 HA CYS 63 -2.632 -6.187 5.781 420 HB3 CYS 63 2HB CYS 63 -1.696 -8.630 7.318 421 HG CYS 63 HG CYS 63 -4.698 -8.707 6.829 422 H GLN 64 H GLN 64 -1.243 -4.209 6.420 423 HA GLN 64 HA GLN 64 -0.873 -2.770 8.034 424 HB3 GLN 64 2HB GLN 64 -0.888 -4.729 10.304 425 HG3 GLN 64 2HG GLN 64 -2.745 -2.716 10.767 426 HE21 GLN 64 1HE2 GLN 64 -2.270 -3.213 12.821 427 HE22 GLN 64 2HE2 GLN 64 -0.778 -2.852 13.624 428 H ALA 65 H ALA 65 0.536 -5.832 9.414 429 HA ALA 65 HA ALA 65 3.139 -5.256 8.502 430 HB1 ALA 65 1HB ALA 65 2.563 -4.645 11.430 431 HB2 ALA 65 2HB ALA 65 4.170 -4.675 10.666 432 HB3 ALA 65 3HB ALA 65 2.977 -3.448 10.180 433 H GLY 66 H GLY 66 2.102 -7.501 7.948 434 HA2 GLY 66 1HA GLY 66 1.879 -9.721 8.356 435 HA3 GLY 66 2HA GLY 66 3.500 -9.532 8.992 436 H LYS 67 H LYS 67 0.021 -9.148 9.947 437 HA LYS 67 HA LYS 67 0.821 -9.766 12.695 438 HB3 LYS 67 2HB LYS 67 -1.918 -9.041 12.559 439 HG3 LYS 67 2HG LYS 67 0.410 -7.222 13.296 440 HD3 LYS 67 2HD LYS 67 -2.360 -6.930 13.516 441 HE3 LYS 67 2HE LYS 67 -1.304 -7.509 16.309 442 HZ1 LYS 67 2HZ LYS 67 -3.245 -6.232 16.395 443 HZ3 LYS 67 1HZ LYS 67 -3.857 -7.736 16.510 444 H ARG 68 H ARG 68 -2.345 -10.314 11.083 445 HA ARG 68 HA ARG 68 -1.840 -13.138 11.113 446 HB3 ARG 68 2HB ARG 68 -4.377 -13.069 12.272 447 HG3 ARG 68 2HG ARG 68 -1.812 -14.080 12.895 448 HD3 ARG 68 2HD ARG 68 -2.644 -11.998 14.824 449 HE ARG 68 HE ARG 68 -2.997 -14.645 15.747 450 HH11 ARG 68 2HH2 ARG 68 -1.055 -11.819 16.645 451 HH12 ARG 68 1HH2 ARG 68 -0.983 -12.248 18.322 452 HH22 ARG 68 1HH ARG 68 -2.076 -14.244 19.072 453 H THR 69 H THR 69 -1.989 -12.433 8.748 454 HA THR 69 HA THR 69 -4.434 -11.441 7.727 455 HB THR 69 HB THR 69 -3.335 -11.787 5.595 456 HG1 THR 69 1HG THR 69 -1.623 -13.565 7.187 457 HG21 THR 69 3HG2 THR 69 -0.742 -11.694 6.982 458 HG22 THR 69 1HG2 THR 69 -1.524 -10.442 5.987 459 HG23 THR 69 2HG2 THR 69 -1.912 -10.573 7.720 460 H SER 70 H SER 70 -3.201 -14.701 8.451 461 HA SER 70 HA SER 70 -4.757 -16.241 6.930 462 HB3 SER 70 2HB SER 70 -3.914 -16.512 9.829 463 HG SER 70 HG SER 70 -4.962 -18.707 8.295 464 H ASN 71 H ASN 71 -5.757 -14.144 9.610 465 HA ASN 71 HA ASN 71 -8.099 -15.244 10.357 466 HB3 ASN 71 2HB ASN 71 -8.780 -12.579 10.334 467 HD21 ASN 71 1HD2 ASN 71 -8.665 -11.645 12.369 468 HD22 ASN 71 2HD2 ASN 71 -8.102 -12.495 13.769 469 H ASN 72 H ASN 72 -7.698 -12.627 7.836 470 HA ASN 72 HA ASN 72 -9.941 -13.842 6.432 471 HB3 ASN 72 2HB ASN 72 -10.906 -11.682 5.976 472 HD21 ASN 72 1HD2 ASN 72 -10.377 -9.552 7.962 473 HD22 ASN 72 2HD2 ASN 72 -11.014 -10.112 9.472 474 H ALA 73 H ALA 73 -7.314 -14.523 5.814 475 HA ALA 73 HA ALA 73 -6.411 -12.701 3.728 476 HB1 ALA 73 1HB ALA 73 -4.511 -14.503 3.706 477 HB2 ALA 73 2HB ALA 73 -4.618 -13.371 5.076 478 HB3 ALA 73 3HB ALA 73 -5.234 -15.032 5.246 479 H ASP 74 H ASP 74 -8.472 -15.398 4.160 480 HA ASP 74 HA ASP 74 -7.835 -16.748 1.775 481 HB3 ASP 74 2HB ASP 74 -10.625 -16.938 2.802 482 HD2 ASP 74 HD ASP 74 -9.453 -18.625 0.539 483 H LYS 75 H LYS 75 -10.279 -14.301 2.849 484 HA LYS 75 HA LYS 75 -11.753 -14.243 0.472 485 HB3 LYS 75 2HB LYS 75 -12.371 -13.354 2.785 486 HG3 LYS 75 2HG LYS 75 -10.865 -10.925 1.703 487 HD3 LYS 75 2HD LYS 75 -12.630 -11.385 4.144 488 HE3 LYS 75 2HE LYS 75 -10.974 -8.885 3.636 489 HZ1 LYS 75 2HZ LYS 75 -11.913 -9.875 6.238 490 HZ3 LYS 75 1HZ LYS 75 -12.997 -9.159 5.255 491 H LEU 76 H LEU 76 -9.026 -12.164 1.662 492 HA LEU 76 HA LEU 76 -8.849 -10.423 -0.400 493 HB3 LEU 76 2HB LEU 76 -6.394 -10.390 0.094 494 HG LEU 76 HG LEU 76 -8.253 -10.367 2.485 495 HD11 LEU 76 1HD1 LEU 76 -5.898 -10.785 3.146 496 HD12 LEU 76 2HD1 LEU 76 -5.434 -9.271 2.333 497 HD13 LEU 76 3HD1 LEU 76 -6.536 -9.230 3.731 498 HD21 LEU 76 3HD2 LEU 76 -7.104 -8.071 0.876 499 HD22 LEU 76 1HD2 LEU 76 -8.750 -8.726 0.696 500 HD23 LEU 76 2HD2 LEU 76 -8.257 -7.967 2.228 501 H ALA 77 H ALA 77 -7.472 -13.770 -0.269 502 HA ALA 77 HA ALA 77 -6.233 -13.720 -2.740 503 HB1 ALA 77 1HB ALA 77 -6.625 -15.526 -0.669 504 HB2 ALA 77 2HB ALA 77 -7.493 -16.283 -2.026 505 HB3 ALA 77 3HB ALA 77 -5.771 -15.866 -2.194 506 H ALA 78 H ALA 78 -9.531 -15.022 -1.911 507 HA ALA 78 HA ALA 78 -10.302 -15.545 -4.509 508 HB1 ALA 78 1HB ALA 78 -11.974 -16.381 -3.262 509 HB2 ALA 78 2HB ALA 78 -11.470 -15.407 -1.860 510 HB3 ALA 78 3HB ALA 78 -12.595 -14.725 -3.060 511 H ILE 79 H ILE 79 -10.297 -12.500 -2.621 512 HA ILE 79 HA ILE 79 -11.892 -11.034 -4.402 513 HB ILE 79 HB ILE 79 -9.970 -10.414 -2.204 514 HG13 ILE 79 2HG1 ILE 79 -12.222 -11.040 -1.598 515 HG21 ILE 79 1HG2 ILE 79 -10.352 -7.995 -2.532 516 HG22 ILE 79 2HG2 ILE 79 -9.406 -8.730 -3.848 517 HG23 ILE 79 3HG2 ILE 79 -11.127 -8.347 -4.095 518 HD11 ILE 79 3HD1 ILE 79 -12.803 -9.162 -0.242 519 HD12 ILE 79 1HD1 ILE 79 -11.040 -9.043 -0.452 520 HD13 ILE 79 2HD1 ILE 79 -12.123 -8.007 -1.413 521 H ALA 80 H ALA 80 -8.523 -12.092 -4.460 522 HA ALA 80 HA ALA 80 -8.161 -10.493 -6.903 523 HB1 ALA 80 1HB ALA 80 -5.675 -10.767 -6.307 524 HB2 ALA 80 2HB ALA 80 -6.628 -9.661 -5.289 525 HB3 ALA 80 3HB ALA 80 -6.234 -11.294 -4.701 526 H ALA 81 H ALA 81 -9.580 -12.930 -6.970 527 HA ALA 81 HA ALA 81 -7.627 -14.580 -8.395 528 HB1 ALA 81 1HB ALA 81 -9.621 -16.265 -7.214 529 HB2 ALA 81 2HB ALA 81 -7.865 -16.257 -6.923 530 HB3 ALA 81 3HB ALA 81 -8.937 -15.241 -5.930 531 HA PRO 82 HA PRO 82 -8.314 -16.756 -8.904 532 HB3 PRO 82 2HB PRO 82 -9.250 -18.467 -10.127 533 HG3 PRO 82 2HG PRO 82 -10.816 -17.796 -11.683 534 HD3 PRO 82 2HD PRO 82 -11.479 -15.799 -10.757 535 H ALA 83 H ALA 83 -6.323 -16.096 -8.432 536 HA ALA 83 HA ALA 83 -4.576 -15.563 -10.624 537 HB1 ALA 83 1HB ALA 83 -4.670 -13.320 -10.705 538 HB2 ALA 83 2HB ALA 83 -6.076 -13.378 -9.614 539 HB3 ALA 83 3HB ALA 83 -4.435 -13.206 -8.945 540 H GLU 84 H GLU 84 -2.318 -15.190 -9.817 541 HA GLU 84 HA GLU 84 -1.950 -16.793 -7.489 542 HB3 GLU 84 2HB GLU 84 0.571 -16.132 -8.137 543 HG3 GLU 84 2HG GLU 84 -0.585 -17.812 -10.281 544 HE2 GLU 84 HE GLU 84 0.483 -20.201 -9.432 545 H ILE 85 H ILE 85 -2.595 -15.626 -5.650 546 HA ILE 85 HA ILE 85 -1.336 -13.012 -5.281 547 HB ILE 85 HB ILE 85 -3.550 -14.247 -3.654 548 HG13 ILE 85 2HG1 ILE 85 -5.118 -12.918 -5.021 549 HG21 ILE 85 1HG2 ILE 85 -3.984 -11.673 -3.388 550 HG22 ILE 85 2HG2 ILE 85 -2.752 -12.495 -2.400 551 HG23 ILE 85 3HG2 ILE 85 -2.261 -11.548 -3.825 552 HD11 ILE 85 3HD1 ILE 85 -3.430 -11.284 -5.921 553 HD12 ILE 85 1HD1 ILE 85 -2.737 -12.596 -6.904 554 HD13 ILE 85 2HD1 ILE 85 -4.405 -12.049 -7.199 555 H PHE 86 H PHE 86 -0.431 -12.524 -3.098 556 HA PHE 86 HA PHE 86 0.346 -14.867 -1.580 557 HB3 PHE 86 2HB PHE 86 2.773 -13.797 -1.711 558 HD1 PHE 86 1HD PHE 86 1.286 -14.270 -5.075 559 HD2 PHE 86 2HD PHE 86 3.528 -16.013 -1.921 560 HE1 PHE 86 1HE PHE 86 1.826 -16.233 -6.544 561 HE2 PHE 86 2HE PHE 86 4.069 -17.976 -3.390 562 HZ PHE 86 HZ PHE 86 3.211 -18.062 -5.683 563 H LEU 87 H LEU 87 1.267 -14.300 0.548 564 HA LEU 87 HA LEU 87 0.579 -11.544 1.299 565 HB3 LEU 87 2HB LEU 87 -0.342 -12.275 3.301 566 HG LEU 87 HG LEU 87 -1.241 -13.776 0.957 567 HD11 LEU 87 1HD1 LEU 87 -0.715 -15.541 2.847 568 HD12 LEU 87 2HD1 LEU 87 -2.253 -14.947 3.515 569 HD13 LEU 87 3HD1 LEU 87 -2.205 -15.637 1.876 570 HD21 LEU 87 3HD2 LEU 87 -3.028 -12.916 3.194 571 HD22 LEU 87 1HD2 LEU 87 -2.178 -11.671 2.247 572 HD23 LEU 87 2HD2 LEU 87 -3.265 -12.822 1.432 573 H LEU 88 H LEU 88 1.948 -10.516 2.862 574 HA LEU 88 HA LEU 88 4.552 -11.856 3.104 575 HB3 LEU 88 2HB LEU 88 4.165 -8.878 3.136 576 HG LEU 88 HG LEU 88 6.411 -9.972 3.720 577 HD11 LEU 88 1HD1 LEU 88 5.988 -11.526 1.552 578 HD12 LEU 88 2HD1 LEU 88 6.997 -10.248 0.832 579 HD13 LEU 88 3HD1 LEU 88 7.596 -11.176 2.228 580 HD21 LEU 88 3HD2 LEU 88 7.604 -8.339 2.033 581 HD22 LEU 88 1HD2 LEU 88 5.934 -7.818 1.699 582 HD23 LEU 88 2HD2 LEU 88 6.584 -7.718 3.354 583 H GLU 89 H GLU 89 3.256 -12.852 5.011 584 HA GLU 89 HA GLU 89 2.646 -11.154 7.156 585 HB3 GLU 89 2HB GLU 89 3.089 -14.160 6.960 586 HG3 GLU 89 2HG GLU 89 2.697 -12.402 9.327 587 HE2 GLU 89 HE GLU 89 -0.101 -12.887 8.449 588 H ASP 90 H ASP 90 4.685 -9.853 7.176 589 HA ASP 90 HA ASP 90 6.450 -10.961 9.116 590 HB3 ASP 90 2HB ASP 90 7.966 -9.812 6.824 591 HD2 ASP 90 HD ASP 90 7.709 -13.051 7.943 592 H GLY 91 H GLY 91 7.108 -9.232 10.445 593 HA2 GLY 91 1HA GLY 91 6.059 -6.787 10.480 594 HA3 GLY 91 2HA GLY 91 7.689 -7.113 11.030 595 H ILE 92 H ILE 92 5.731 -5.463 8.708 596 HA ILE 92 HA ILE 92 7.127 -5.231 6.453 597 HB ILE 92 HB ILE 92 5.148 -4.025 6.681 598 HG13 ILE 92 2HG1 ILE 92 7.484 -2.109 6.492 599 HG21 ILE 92 1HG2 ILE 92 4.984 -3.691 9.022 600 HG22 ILE 92 2HG2 ILE 92 6.431 -2.656 9.051 601 HG23 ILE 92 3HG2 ILE 92 4.938 -2.077 8.274 602 HD11 ILE 92 3HD1 ILE 92 7.461 -2.558 4.230 603 HD12 ILE 92 1HD1 ILE 92 6.816 -4.119 4.793 604 HD13 ILE 92 2HD1 ILE 92 5.707 -2.857 4.202 605 H ASP 93 H ASP 93 8.128 -4.069 9.664 606 HA ASP 93 HA ASP 93 9.977 -2.262 9.170 607 HB3 ASP 93 2HB ASP 93 11.109 -2.978 11.154 608 HD2 ASP 93 HD ASP 93 9.669 -5.130 12.596 609 H GLY 94 H GLY 94 10.064 -5.717 8.297 610 HA2 GLY 94 1HA GLY 94 12.684 -6.295 7.897 611 HA3 GLY 94 2HA GLY 94 11.387 -6.837 6.850 612 H TRP 95 H TRP 95 10.515 -4.406 5.682 613 HA TRP 95 HA TRP 95 12.177 -4.134 3.545 614 HB3 TRP 95 2HB TRP 95 10.233 -2.164 4.752 615 HD1 TRP 95 HD TRP 95 10.259 0.186 3.628 616 HE1 TRP 95 1HE TRP 95 11.141 1.319 1.415 617 HE3 TRP 95 3HE TRP 95 12.095 -4.078 1.555 618 HZ2 TRP 95 2HZ TRP 95 12.479 0.327 -0.903 619 HZ3 TRP 95 3HZ TRP 95 13.174 -3.908 -0.687 620 HH2 TRP 95 HH TRP 95 13.382 -1.802 -1.909 621 H LYS 96 H LYS 96 11.809 -1.570 6.104 622 HA LYS 96 HA LYS 96 14.127 -0.228 5.439 623 HB3 LYS 96 2HB LYS 96 12.833 -0.366 8.176 624 HG3 LYS 96 2HG LYS 96 14.417 1.795 6.705 625 HD3 LYS 96 2HD LYS 96 12.795 1.778 9.262 626 HE3 LYS 96 2HE LYS 96 14.526 4.107 9.069 627 HZ1 LYS 96 2HZ LYS 96 13.632 3.647 11.148 628 HZ3 LYS 96 1HZ LYS 96 15.132 3.046 11.356 629 H LYS 97 H LYS 97 13.622 -3.209 7.259 630 HA LYS 97 HA LYS 97 15.950 -3.242 8.755 631 HB3 LYS 97 2HB LYS 97 14.882 -5.763 7.542 632 HG3 LYS 97 2HG LYS 97 16.129 -4.804 10.093 633 HD3 LYS 97 2HD LYS 97 13.663 -6.419 10.025 634 HE3 LYS 97 2HE LYS 97 15.653 -8.152 10.122 635 HZ1 LYS 97 2HZ LYS 97 15.797 -6.818 12.758 636 HZ3 LYS 97 1HZ LYS 97 17.029 -7.199 11.764 637 H ALA 98 H ALA 98 15.490 -3.292 5.322 638 HA ALA 98 HA ALA 98 18.189 -4.385 4.956 639 HB1 ALA 98 1HB ALA 98 17.493 -4.782 2.641 640 HB2 ALA 98 2HB ALA 98 16.320 -5.516 3.760 641 HB3 ALA 98 3HB ALA 98 15.936 -3.979 2.948 642 H GLY 99 H GLY 99 17.339 -1.619 5.949 643 HA2 GLY 99 1HA GLY 99 18.000 0.508 5.653 644 HA3 GLY 99 2HA GLY 99 19.262 -0.111 4.608 645 H LEU 100 H LEU 100 15.655 -0.240 4.238 646 HA LEU 100 HA LEU 100 15.903 1.561 1.956 647 HB3 LEU 100 2HB LEU 100 14.622 0.107 0.531 648 HG LEU 100 HG LEU 100 17.189 -0.868 1.610 649 HD11 LEU 100 1HD1 LEU 100 16.070 -2.856 -0.230 650 HD12 LEU 100 2HD1 LEU 100 17.032 -3.067 1.253 651 HD13 LEU 100 3HD1 LEU 100 15.273 -2.823 1.361 652 HD21 LEU 100 3HD2 LEU 100 16.192 0.354 -0.738 653 HD22 LEU 100 1HD2 LEU 100 17.872 -0.086 -0.347 654 HD23 LEU 100 2HD2 LEU 100 16.828 -1.241 -1.211 655 HA PRO 101 HA PRO 101 12.472 2.949 4.339 656 HB3 PRO 101 2HB PRO 101 13.438 4.982 4.821 657 HG3 PRO 101 2HG PRO 101 15.302 5.486 3.560 658 HD3 PRO 101 2HD PRO 101 15.983 3.370 2.975 659 H VAL 102 H VAL 102 10.370 4.222 3.829 660 HA VAL 102 HA VAL 102 9.323 2.860 1.524 661 HB VAL 102 HB VAL 102 7.194 3.715 2.289 662 HG11 VAL 102 1HG1 VAL 102 8.960 2.074 3.825 663 HG12 VAL 102 2HG1 VAL 102 7.971 3.033 4.952 664 HG13 VAL 102 3HG1 VAL 102 7.184 2.011 3.725 665 HG21 VAL 102 3HG2 VAL 102 7.584 4.978 4.704 666 HG22 VAL 102 1HG2 VAL 102 8.889 5.658 3.704 667 HG23 VAL 102 2HG2 VAL 102 7.198 5.786 3.165 668 H ALA 103 H ALA 103 7.472 4.584 0.443 669 HA ALA 103 HA ALA 103 9.211 6.335 -1.049 670 HB1 ALA 103 1HB ALA 103 7.767 5.320 -2.514 671 HB2 ALA 103 2HB ALA 103 6.471 5.172 -1.304 672 HB3 ALA 103 3HB ALA 103 6.762 6.732 -2.110 673 H VAL 104 H VAL 104 9.741 7.750 0.825 674 HA VAL 104 HA VAL 104 7.564 9.328 1.869 675 HB VAL 104 HB VAL 104 10.509 9.776 2.294 676 HG11 VAL 104 1HG1 VAL 104 9.564 11.444 3.494 677 HG12 VAL 104 2HG1 VAL 104 7.978 10.637 3.566 678 HG13 VAL 104 3HG1 VAL 104 9.273 10.157 4.689 679 HG21 VAL 104 3HG2 VAL 104 8.750 7.646 3.539 680 HG22 VAL 104 1HG2 VAL 104 10.297 7.436 2.682 681 HG23 VAL 104 2HG2 VAL 104 10.265 8.219 4.281 682 H ASN 105 H ASN 105 8.123 11.856 1.965 683 HA ASN 105 HA ASN 105 8.049 12.648 -0.748 684 HB3 ASN 105 2HB ASN 105 8.096 15.019 0.485 685 HD21 ASN 105 1HD2 ASN 105 6.010 12.936 2.306 686 HD22 ASN 105 2HD2 ASN 105 4.550 13.176 1.404 687 H LYS 106 H LYS 106 10.012 13.916 2.057 688 HA LYS 106 HA LYS 106 11.988 15.051 0.457 689 HB3 LYS 106 2HB LYS 106 12.566 14.128 3.252 690 HG3 LYS 106 2HG LYS 106 13.479 16.169 1.357 691 HD3 LYS 106 2HD LYS 106 13.750 17.757 3.546 692 HE3 LYS 106 2HE LYS 106 11.229 17.822 1.824 693 HZ1 LYS 106 2HZ LYS 106 12.516 20.285 2.237 694 HZ3 LYS 106 1HZ LYS 106 12.339 19.587 3.698 695 H SER 107 H SER 107 12.556 13.511 -1.172 696 HA SER 107 HA SER 107 14.807 12.056 -0.565 697 HB3 SER 107 2HB SER 107 12.953 9.926 -1.347 698 HG SER 107 HG SER 107 13.953 8.975 0.639 699 H GLN 108 H GLN 108 15.236 13.433 -2.474 700 HA GLN 108 HA GLN 108 15.012 11.964 -4.839 701 HB3 GLN 108 2HB GLN 108 13.302 14.486 -4.707 702 HG3 GLN 108 2HG GLN 108 14.401 14.204 -6.912 703 HE21 GLN 108 1HE2 GLN 108 15.717 12.789 -7.767 704 HE22 GLN 108 2HE2 GLN 108 15.380 11.129 -8.131 Start of MODEL 9 1 H1 ALA 1 H ALA 1 -3.932 -18.238 -4.171 2 HA ALA 1 HA ALA 1 -3.192 -20.298 -2.833 3 HB1 ALA 1 1HB ALA 1 -1.707 -20.803 -4.956 4 HB2 ALA 1 2HB ALA 1 -0.560 -19.690 -4.171 5 HB3 ALA 1 3HB ALA 1 -1.088 -21.166 -3.328 6 H LEU 2 H LEU 2 -2.590 -19.623 -0.797 7 HA LEU 2 HA LEU 2 -1.743 -16.830 -0.629 8 HB3 LEU 2 2HB LEU 2 -3.467 -16.771 0.757 9 HG LEU 2 HG LEU 2 -4.557 -18.652 1.874 10 HD11 LEU 2 1HD1 LEU 2 -5.779 -18.895 0.042 11 HD12 LEU 2 2HD1 LEU 2 -4.460 -18.174 -0.912 12 HD13 LEU 2 3HD1 LEU 2 -4.536 -19.939 -0.690 13 HD21 LEU 2 3HD2 LEU 2 -3.225 -20.361 2.440 14 HD22 LEU 2 1HD2 LEU 2 -3.583 -20.972 0.807 15 HD23 LEU 2 2HD2 LEU 2 -2.088 -20.053 1.105 16 H THR 3 H THR 3 0.487 -17.283 -1.198 17 HA THR 3 HA THR 3 1.944 -18.995 0.655 18 HB THR 3 HB THR 3 3.071 -17.381 -1.670 19 HG1 THR 3 1HG THR 3 1.661 -18.592 -2.869 20 HG21 THR 3 3HG2 THR 3 3.974 -20.040 -1.715 21 HG22 THR 3 1HG2 THR 3 4.889 -18.653 -1.077 22 HG23 THR 3 2HG2 THR 3 3.914 -19.658 0.021 23 H THR 4 H THR 4 4.150 -18.102 1.416 24 HA THR 4 HA THR 4 3.637 -15.410 2.498 25 HB THR 4 HB THR 4 5.234 -17.754 3.661 26 HG1 THR 4 1HG THR 4 3.283 -17.761 5.059 27 HG21 THR 4 3HG2 THR 4 4.764 -16.301 5.795 28 HG22 THR 4 1HG2 THR 4 6.083 -15.780 4.721 29 HG23 THR 4 2HG2 THR 4 4.503 -14.964 4.650 30 H ILE 5 H ILE 5 5.821 -14.333 3.215 31 HA ILE 5 HA ILE 5 8.128 -14.947 1.755 32 HB ILE 5 HB ILE 5 6.306 -14.027 0.034 33 HG13 ILE 5 2HG1 ILE 5 9.148 -14.329 0.120 34 HG21 ILE 5 1HG2 ILE 5 6.782 -11.625 -0.424 35 HG22 ILE 5 2HG2 ILE 5 5.901 -11.913 1.096 36 HG23 ILE 5 3HG2 ILE 5 7.642 -11.542 1.133 37 HD11 ILE 5 3HD1 ILE 5 8.049 -15.710 -1.403 38 HD12 ILE 5 1HD1 ILE 5 6.912 -14.435 -1.899 39 HD13 ILE 5 2HD1 ILE 5 8.589 -14.413 -2.494 40 H SER 6 H SER 6 9.583 -12.756 1.725 41 HA SER 6 HA SER 6 9.161 -10.669 3.291 42 HB3 SER 6 2HB SER 6 10.554 -11.954 5.400 43 HG SER 6 HG SER 6 8.906 -11.146 6.586 44 HA PRO 7 HA PRO 7 13.771 -11.829 3.115 45 HB3 PRO 7 2HB PRO 7 14.368 -13.872 3.994 46 HG3 PRO 7 2HG PRO 7 12.651 -15.410 4.106 47 HD3 PRO 7 2HD PRO 7 10.839 -13.996 4.151 48 H HIS 8 H HIS 8 15.432 -12.979 1.218 49 HA HIS 8 HA HIS 8 15.139 -11.302 -0.865 50 HB3 HIS 8 2HB HIS 8 16.203 -13.695 -1.946 51 HD1 HIS 8 1HD HIS 8 18.751 -13.305 -2.555 52 HD2 HIS 8 2HD HIS 8 16.917 -10.160 -0.473 53 HE1 HIS 8 1HE HIS 8 20.303 -11.292 -2.788 54 H ASP 9 H ASP 9 13.328 -14.268 -0.205 55 HA ASP 9 HA ASP 9 12.455 -14.928 -2.675 56 HB3 ASP 9 2HB ASP 9 10.193 -15.389 -1.266 57 HD2 ASP 9 HD ASP 9 12.802 -16.479 0.571 58 H ALA 10 H ALA 10 11.549 -12.203 -0.547 59 HA ALA 10 HA ALA 10 9.249 -11.488 -2.123 60 HB1 ALA 10 1HB ALA 10 10.102 -9.378 -0.391 61 HB2 ALA 10 2HB ALA 10 8.733 -10.495 -0.177 62 HB3 ALA 10 3HB ALA 10 10.335 -10.915 0.477 63 H GLN 11 H GLN 11 12.714 -10.896 -2.078 64 HA GLN 11 HA GLN 11 12.495 -8.463 -3.544 65 HB3 GLN 11 2HB GLN 11 15.035 -10.088 -3.329 66 HG3 GLN 11 2HG GLN 11 15.663 -7.538 -2.660 67 HE21 GLN 11 1HE2 GLN 11 15.648 -6.123 -5.061 68 HE22 GLN 11 2HE2 GLN 11 16.533 -6.998 -6.266 69 H GLU 12 H GLU 12 11.799 -11.578 -4.365 70 HA GLU 12 HA GLU 12 13.108 -11.444 -6.947 71 HB3 GLU 12 2HB GLU 12 11.602 -13.665 -5.506 72 HG3 GLU 12 2HG GLU 12 12.319 -13.334 -8.381 73 HE2 GLU 12 HE GLU 12 14.323 -14.883 -9.065 74 H LEU 13 H LEU 13 9.918 -11.343 -5.342 75 HA LEU 13 HA LEU 13 8.458 -11.471 -7.791 76 HB3 LEU 13 2HB LEU 13 6.608 -11.510 -6.496 77 HG LEU 13 HG LEU 13 8.530 -11.965 -4.205 78 HD11 LEU 13 1HD1 LEU 13 6.799 -12.793 -3.058 79 HD12 LEU 13 2HD1 LEU 13 5.782 -11.941 -4.245 80 HD13 LEU 13 3HD1 LEU 13 6.157 -13.668 -4.468 81 HD21 LEU 13 3HD2 LEU 13 8.811 -13.246 -6.581 82 HD22 LEU 13 1HD2 LEU 13 9.209 -13.956 -4.999 83 HD23 LEU 13 2HD2 LEU 13 7.643 -14.312 -5.764 84 H ILE 14 H ILE 14 9.589 -8.888 -5.543 85 HA ILE 14 HA ILE 14 8.290 -6.793 -6.868 86 HB ILE 14 HB ILE 14 10.660 -6.963 -5.026 87 HG13 ILE 14 2HG1 ILE 14 8.273 -7.417 -4.250 88 HG21 ILE 14 1HG2 ILE 14 9.427 -4.445 -6.178 89 HG22 ILE 14 2HG2 ILE 14 10.613 -4.514 -4.851 90 HG23 ILE 14 3HG2 ILE 14 11.071 -5.059 -6.483 91 HD11 ILE 14 3HD1 ILE 14 10.316 -5.601 -3.117 92 HD12 ILE 14 1HD1 ILE 14 8.683 -5.340 -2.457 93 HD13 ILE 14 2HD1 ILE 14 9.440 -6.947 -2.349 94 H ALA 15 H ALA 15 11.451 -8.422 -7.349 95 HA ALA 15 HA ALA 15 12.262 -6.534 -9.348 96 HB1 ALA 15 1HB ALA 15 14.280 -7.566 -9.147 97 HB2 ALA 15 2HB ALA 15 13.561 -8.271 -7.680 98 HB3 ALA 15 3HB ALA 15 13.566 -9.196 -9.201 99 H ARG 16 H ARG 16 9.946 -8.994 -9.227 100 HA ARG 16 HA ARG 16 10.431 -9.777 -11.967 101 HB3 ARG 16 2HB ARG 16 8.128 -11.118 -11.150 102 HG3 ARG 16 2HG ARG 16 10.960 -12.056 -10.511 103 HD3 ARG 16 2HD ARG 16 8.414 -13.492 -11.413 104 HE ARG 16 HE ARG 16 11.147 -14.311 -11.695 105 HH11 ARG 16 2HH2 ARG 16 8.049 -15.564 -10.516 106 HH12 ARG 16 1HH2 ARG 16 8.455 -17.216 -10.832 107 HH22 ARG 16 1HH ARG 16 10.597 -17.740 -11.772 108 H GLY 17 H GLY 17 8.660 -7.505 -10.088 109 HA2 GLY 17 1HA GLY 17 7.451 -5.785 -11.163 110 HA3 GLY 17 2HA GLY 17 6.922 -6.916 -12.392 111 H ALA 18 H ALA 18 6.979 -7.738 -8.911 112 HA ALA 18 HA ALA 18 4.373 -8.674 -8.897 113 HB1 ALA 18 1HB ALA 18 6.365 -7.826 -6.789 114 HB2 ALA 18 2HB ALA 18 4.722 -8.328 -6.325 115 HB3 ALA 18 3HB ALA 18 5.785 -9.458 -7.198 116 H LYS 19 H LYS 19 2.796 -7.671 -7.011 117 HA LYS 19 HA LYS 19 2.636 -4.787 -7.422 118 HB3 LYS 19 2HB LYS 19 0.041 -6.166 -7.647 119 HG3 LYS 19 2HG LYS 19 0.870 -3.631 -8.034 120 HD3 LYS 19 2HD LYS 19 0.661 -4.067 -10.886 121 HE3 LYS 19 2HE LYS 19 3.242 -3.148 -10.364 122 HZ1 LYS 19 2HZ LYS 19 0.656 -1.709 -10.531 123 HZ3 LYS 19 1HZ LYS 19 1.733 -1.938 -11.730 124 H LEU 20 H LEU 20 3.118 -4.292 -5.298 125 HA LEU 20 HA LEU 20 1.808 -5.780 -3.199 126 HB3 LEU 20 2HB LEU 20 3.655 -3.398 -3.021 127 HG LEU 20 HG LEU 20 2.774 -5.470 -1.014 128 HD11 LEU 20 1HD1 LEU 20 4.734 -4.231 0.338 129 HD12 LEU 20 2HD1 LEU 20 4.973 -5.750 -0.558 130 HD13 LEU 20 3HD1 LEU 20 5.443 -4.199 -1.293 131 HD21 LEU 20 3HD2 LEU 20 1.497 -3.681 -0.508 132 HD22 LEU 20 1HD2 LEU 20 2.972 -3.136 0.329 133 HD23 LEU 20 2HD2 LEU 20 2.597 -2.528 -1.302 134 H ILE 21 H ILE 21 -0.045 -5.203 -2.174 135 HA ILE 21 HA ILE 21 -1.153 -2.593 -2.920 136 HB ILE 21 HB ILE 21 -2.211 -5.126 -3.160 137 HG13 ILE 21 2HG1 ILE 21 -3.352 -2.345 -3.215 138 HG21 ILE 21 1HG2 ILE 21 -3.601 -3.791 -0.824 139 HG22 ILE 21 2HG2 ILE 21 -4.029 -5.332 -1.605 140 HG23 ILE 21 3HG2 ILE 21 -2.510 -5.191 -0.687 141 HD11 ILE 21 3HD1 ILE 21 -1.867 -3.719 -5.024 142 HD12 ILE 21 1HD1 ILE 21 -3.484 -4.311 -5.471 143 HD13 ILE 21 2HD1 ILE 21 -3.135 -2.565 -5.501 144 H ASP 22 H ASP 22 -1.367 -1.037 -1.392 145 HA ASP 22 HA ASP 22 -0.571 -1.778 1.272 146 HB3 ASP 22 2HB ASP 22 -1.366 1.031 0.807 147 HD2 ASP 22 HD ASP 22 1.838 0.171 0.349 148 H ILE 23 H ILE 23 -2.405 -2.735 2.285 149 HA ILE 23 HA ILE 23 -4.958 -1.360 2.011 150 HB ILE 23 HB ILE 23 -5.698 -3.434 3.358 151 HG13 ILE 23 2HG1 ILE 23 -4.319 -5.239 3.588 152 HG21 ILE 23 1HG2 ILE 23 -4.977 -3.162 0.490 153 HG22 ILE 23 2HG2 ILE 23 -5.366 -4.798 1.070 154 HG23 ILE 23 3HG2 ILE 23 -6.547 -3.483 1.261 155 HD11 ILE 23 3HD1 ILE 23 -2.053 -5.227 2.173 156 HD12 ILE 23 1HD1 ILE 23 -3.570 -5.824 1.460 157 HD13 ILE 23 2HD1 ILE 23 -3.003 -4.178 1.094 158 H ARG 24 H ARG 24 -2.938 0.100 3.363 159 HA ARG 24 HA ARG 24 -4.092 0.026 6.028 160 HB3 ARG 24 2HB ARG 24 -1.735 -0.939 5.991 161 HG3 ARG 24 2HG ARG 24 -1.246 1.383 4.388 162 HD3 ARG 24 2HD ARG 24 0.661 1.386 6.735 163 HE ARG 24 HE ARG 24 0.429 2.882 4.347 164 HH11 ARG 24 2HH2 ARG 24 0.768 3.544 7.811 165 HH12 ARG 24 1HH2 ARG 24 1.582 5.053 7.570 166 HH22 ARG 24 1HH ARG 24 2.004 5.815 5.337 167 H ASP 25 H ASP 25 -3.054 2.285 7.171 168 HA ASP 25 HA ASP 25 -4.463 4.311 6.241 169 HB3 ASP 25 2HB ASP 25 -3.109 5.757 7.566 170 HD2 ASP 25 HD ASP 25 -4.280 4.573 9.786 171 H ALA 26 H ALA 26 -4.173 6.067 4.717 172 HA ALA 26 HA ALA 26 -1.877 5.731 2.909 173 HB1 ALA 26 1HB ALA 26 -3.332 5.457 1.221 174 HB2 ALA 26 2HB ALA 26 -4.677 5.511 2.386 175 HB3 ALA 26 3HB ALA 26 -4.105 7.011 1.617 176 H ASP 27 H ASP 27 -4.493 8.211 3.215 177 HA ASP 27 HA ASP 27 -2.487 10.231 3.117 178 HB3 ASP 27 2HB ASP 27 -4.320 11.057 2.005 179 HD2 ASP 27 HD ASP 27 -5.276 9.148 1.316 180 H GLU 28 H GLU 28 -4.186 8.372 5.512 181 HA GLU 28 HA GLU 28 -4.536 10.215 7.519 182 HB3 GLU 28 2HB GLU 28 -3.917 7.861 8.861 183 HG3 GLU 28 2HG GLU 28 -6.535 7.468 7.959 184 HE2 GLU 28 HE GLU 28 -7.899 9.149 9.892 185 H TYR 29 H TYR 29 -1.640 8.376 6.479 186 HA TYR 29 HA TYR 29 -0.106 9.812 8.540 187 HB3 TYR 29 2HB TYR 29 0.963 7.442 6.999 188 HD1 TYR 29 1HD TYR 29 0.087 8.805 10.380 189 HD2 TYR 29 2HD TYR 29 2.830 6.504 8.039 190 HE1 TYR 29 1HE TYR 29 1.651 8.626 12.377 191 HE2 TYR 29 2HE TYR 29 4.386 6.332 10.043 192 HH TYR 29 HH TYR 29 3.850 8.209 12.905 193 H LEU 30 H LEU 30 -0.244 8.731 5.104 194 HA LEU 30 HA LEU 30 1.081 9.246 3.372 195 HB3 LEU 30 2HB LEU 30 -0.552 11.297 4.133 196 HG LEU 30 HG LEU 30 1.813 12.429 4.804 197 HD11 LEU 30 1HD1 LEU 30 3.003 13.332 3.130 198 HD12 LEU 30 2HD1 LEU 30 2.223 12.082 2.132 199 HD13 LEU 30 3HD1 LEU 30 1.556 13.731 2.173 200 HD21 LEU 30 3HD2 LEU 30 -0.744 13.231 4.699 201 HD22 LEU 30 1HD2 LEU 30 0.610 14.331 5.051 202 HD23 LEU 30 2HD2 LEU 30 -0.069 14.253 3.408 203 H ARG 31 H ARG 31 2.553 8.636 5.875 204 HA ARG 31 HA ARG 31 4.784 10.458 5.619 205 HB3 ARG 31 2HB ARG 31 5.535 8.765 7.630 206 HG3 ARG 31 2HG ARG 31 3.418 10.861 8.208 207 HD3 ARG 31 2HD ARG 31 6.071 10.058 9.498 208 HE ARG 31 HE ARG 31 4.951 12.592 9.619 209 HH11 ARG 31 2HH2 ARG 31 5.410 9.998 11.989 210 HH12 ARG 31 1HH2 ARG 31 5.531 11.082 13.336 211 HH22 ARG 31 1HH ARG 31 5.352 13.442 12.964 212 H GLU 32 H GLU 32 4.721 6.940 6.483 213 HA GLU 32 HA GLU 32 6.997 6.515 4.839 214 HB3 GLU 32 2HB GLU 32 6.877 5.319 6.932 215 HG3 GLU 32 2HG GLU 32 4.168 4.407 5.889 216 HE2 GLU 32 HE GLU 32 6.351 3.906 8.511 217 H HIS 33 H HIS 33 7.021 4.534 3.283 218 HA HIS 33 HA HIS 33 4.453 4.267 1.930 219 HB3 HIS 33 2HB HIS 33 6.944 4.702 0.306 220 HD1 HIS 33 1HD HIS 33 5.399 6.833 -1.469 221 HD2 HIS 33 2HD HIS 33 3.952 3.055 -0.361 222 HE1 HIS 33 1HE HIS 33 3.637 6.205 -3.205 223 H ILE 34 H ILE 34 6.129 2.898 -0.301 224 HA ILE 34 HA ILE 34 7.425 0.719 0.945 225 HB ILE 34 HB ILE 34 4.585 0.572 0.838 226 HG13 ILE 34 2HG1 ILE 34 6.391 -0.316 2.500 227 HG21 ILE 34 1HG2 ILE 34 5.001 -0.198 -1.521 228 HG22 ILE 34 2HG2 ILE 34 5.882 -1.586 -0.839 229 HG23 ILE 34 3HG2 ILE 34 4.155 -1.363 -0.476 230 HD11 ILE 34 3HD1 ILE 34 3.758 -1.567 1.705 231 HD12 ILE 34 1HD1 ILE 34 4.744 -2.348 2.964 232 HD13 ILE 34 2HD1 ILE 34 4.181 -0.674 3.186 233 HA PRO 35 HA PRO 35 8.851 0.456 -3.118 234 HB3 PRO 35 2HB PRO 35 10.722 -0.718 -2.473 235 HG3 PRO 35 2HG PRO 35 10.505 -1.861 -0.482 236 HD3 PRO 35 2HD PRO 35 8.835 -0.633 0.512 237 H GLU 36 H GLU 36 7.378 0.712 -4.691 238 HA GLU 36 HA GLU 36 5.997 0.111 -6.255 239 HB3 GLU 36 2HB GLU 36 6.889 -2.731 -5.599 240 HG3 GLU 36 2HG GLU 36 5.469 -1.697 -8.097 241 HE2 GLU 36 HE GLU 36 5.839 -4.647 -9.592 242 H ALA 37 H ALA 37 4.387 0.986 -4.658 243 HA ALA 37 HA ALA 37 2.596 -1.164 -3.750 244 HB1 ALA 37 1HB ALA 37 3.769 1.149 -2.363 245 HB2 ALA 37 2HB ALA 37 1.996 1.078 -2.225 246 HB3 ALA 37 3HB ALA 37 2.985 -0.304 -1.697 247 H ASP 38 H ASP 38 0.325 0.271 -3.202 248 HA ASP 38 HA ASP 38 -0.278 2.238 -5.051 249 HB3 ASP 38 2HB ASP 38 -0.612 1.020 -6.940 250 HD2 ASP 38 HD ASP 38 0.007 -2.088 -4.695 251 H LEU 39 H LEU 39 -1.719 3.243 -3.628 252 HA LEU 39 HA LEU 39 -3.030 2.170 -1.547 253 HB3 LEU 39 2HB LEU 39 -4.821 4.057 -2.465 254 HG LEU 39 HG LEU 39 -3.820 4.210 -0.264 255 HD11 LEU 39 1HD1 LEU 39 -1.268 4.548 -1.804 256 HD12 LEU 39 2HD1 LEU 39 -1.438 5.269 -0.186 257 HD13 LEU 39 3HD1 LEU 39 -1.626 3.512 -0.402 258 HD21 LEU 39 3HD2 LEU 39 -3.480 6.586 -2.085 259 HD22 LEU 39 1HD2 LEU 39 -4.759 6.249 -0.893 260 HD23 LEU 39 2HD2 LEU 39 -3.125 6.690 -0.343 261 H ALA 40 H ALA 40 -4.655 0.744 -1.182 262 HA ALA 40 HA ALA 40 -6.880 0.476 -2.849 263 HB1 ALA 40 1HB ALA 40 -6.226 -0.970 -4.437 264 HB2 ALA 40 2HB ALA 40 -4.556 -0.847 -3.834 265 HB3 ALA 40 3HB ALA 40 -5.642 -2.103 -3.195 266 HA PRO 41 HA PRO 41 -7.087 -1.221 1.326 267 HB3 PRO 41 2HB PRO 41 -7.500 0.735 2.467 268 HG3 PRO 41 2HG PRO 41 -7.937 2.560 1.126 269 HD3 PRO 41 2HD PRO 41 -6.882 1.904 -0.810 270 H LEU 42 H LEU 42 -8.479 -2.752 2.290 271 HA LEU 42 HA LEU 42 -9.767 -4.379 0.612 272 HB3 LEU 42 2HB LEU 42 -9.307 -4.704 3.040 273 HG LEU 42 HG LEU 42 -11.095 -2.610 3.492 274 HD11 LEU 42 1HD1 LEU 42 -12.517 -5.188 3.547 275 HD12 LEU 42 2HD1 LEU 42 -12.695 -4.207 5.021 276 HD13 LEU 42 3HD1 LEU 42 -13.142 -3.525 3.438 277 HD21 LEU 42 3HD2 LEU 42 -10.823 -3.274 5.894 278 HD22 LEU 42 1HD2 LEU 42 -9.984 -4.740 5.332 279 HD23 LEU 42 2HD2 LEU 42 -9.304 -3.134 4.977 280 H SER 43 H SER 43 -11.059 -1.338 2.011 281 HA SER 43 HA SER 43 -13.670 -1.634 1.322 282 HB3 SER 43 2HB SER 43 -13.440 1.009 0.959 283 HG SER 43 HG SER 43 -13.521 1.253 3.219 284 H VAL 44 H VAL 44 -10.995 -0.143 -0.645 285 HA VAL 44 HA VAL 44 -12.660 0.162 -2.928 286 HB VAL 44 HB VAL 44 -9.663 0.276 -2.542 287 HG11 VAL 44 1HG1 VAL 44 -11.399 0.967 -4.923 288 HG12 VAL 44 2HG1 VAL 44 -9.767 1.639 -4.695 289 HG13 VAL 44 3HG1 VAL 44 -9.991 -0.120 -4.856 290 HG21 VAL 44 3HG2 VAL 44 -10.293 2.816 -2.893 291 HG22 VAL 44 1HG2 VAL 44 -11.884 2.278 -2.301 292 HG23 VAL 44 2HG2 VAL 44 -10.434 2.052 -1.292 293 H LEU 45 H LEU 45 -10.165 -2.213 -1.843 294 HA LEU 45 HA LEU 45 -10.120 -3.694 -4.203 295 HB3 LEU 45 2HB LEU 45 -9.361 -5.537 -2.550 296 HG LEU 45 HG LEU 45 -7.875 -2.911 -2.792 297 HD11 LEU 45 1HD1 LEU 45 -6.842 -5.536 -1.681 298 HD12 LEU 45 2HD1 LEU 45 -5.882 -4.068 -1.986 299 HD13 LEU 45 3HD1 LEU 45 -7.158 -4.054 -0.746 300 HD21 LEU 45 3HD2 LEU 45 -6.429 -4.622 -4.232 301 HD22 LEU 45 1HD2 LEU 45 -8.010 -5.426 -4.384 302 HD23 LEU 45 2HD2 LEU 45 -7.816 -3.736 -4.909 303 H GLU 46 H GLU 46 -12.568 -3.312 -1.764 304 HA GLU 46 HA GLU 46 -13.782 -5.833 -2.468 305 HB3 GLU 46 2HB GLU 46 -15.569 -4.808 -0.764 306 HG3 GLU 46 2HG GLU 46 -13.087 -5.412 0.721 307 HE2 GLU 46 HE GLU 46 -14.253 -5.973 2.641 308 H GLN 47 H GLN 47 -14.683 -2.307 -2.382 309 HA GLN 47 HA GLN 47 -17.038 -2.672 -3.801 310 HB3 GLN 47 2HB GLN 47 -15.993 -0.038 -4.298 311 HG3 GLN 47 2HG GLN 47 -17.639 -0.092 -1.949 312 HE21 GLN 47 1HE2 GLN 47 -17.563 2.056 -2.644 313 HE22 GLN 47 2HE2 GLN 47 -18.528 2.646 -3.957 314 H SER 48 H SER 48 -13.694 -2.657 -4.790 315 HA SER 48 HA SER 48 -14.476 -2.128 -7.535 316 HB3 SER 48 2HB SER 48 -11.665 -2.470 -6.408 317 HG SER 48 HG SER 48 -12.288 -2.473 -8.861 318 H GLY 49 H GLY 49 -12.698 -4.504 -5.450 319 HA2 GLY 49 1HA GLY 49 -12.328 -6.708 -5.682 320 HA3 GLY 49 2HA GLY 49 -13.749 -6.766 -6.707 321 H LEU 50 H LEU 50 -10.679 -7.754 -6.716 322 HA LEU 50 HA LEU 50 -8.972 -7.791 -8.208 323 HB3 LEU 50 2HB LEU 50 -11.446 -8.955 -9.389 324 HG LEU 50 HG LEU 50 -9.314 -8.161 -11.087 325 HD11 LEU 50 1HD1 LEU 50 -8.932 -10.692 -11.887 326 HD12 LEU 50 2HD1 LEU 50 -7.840 -9.849 -10.761 327 HD13 LEU 50 3HD1 LEU 50 -9.076 -10.964 -10.134 328 HD21 LEU 50 3HD2 LEU 50 -11.481 -10.200 -11.639 329 HD22 LEU 50 1HD2 LEU 50 -11.743 -8.440 -11.615 330 HD23 LEU 50 2HD2 LEU 50 -10.637 -9.160 -12.810 331 HA PRO 51 HA PRO 51 -9.641 -3.893 -10.316 332 HB3 PRO 51 2HB PRO 51 -8.859 -2.516 -8.645 333 HG3 PRO 51 2HG PRO 51 -7.826 -3.611 -6.898 334 HD3 PRO 51 2HD PRO 51 -8.802 -5.684 -7.083 335 H ALA 52 H ALA 52 -9.167 -3.429 -12.395 336 HA ALA 52 HA ALA 52 -7.262 -5.206 -13.592 337 HB1 ALA 52 1HB ALA 52 -9.418 -3.361 -14.417 338 HB2 ALA 52 2HB ALA 52 -8.036 -3.412 -15.537 339 HB3 ALA 52 3HB ALA 52 -8.906 -4.911 -15.127 340 H LYS 53 H LYS 53 -7.222 -2.062 -12.118 341 HA LYS 53 HA LYS 53 -4.997 -1.111 -13.678 342 HB3 LYS 53 2HB LYS 53 -6.715 0.436 -12.861 343 HG3 LYS 53 2HG LYS 53 -5.854 0.664 -10.114 344 HD3 LYS 53 2HD LYS 53 -8.406 -0.114 -9.878 345 HE3 LYS 53 2HE LYS 53 -7.531 2.463 -11.271 346 HZ1 LYS 53 2HZ LYS 53 -10.019 1.839 -9.770 347 HZ3 LYS 53 1HZ LYS 53 -9.941 2.096 -11.376 348 H LEU 54 H LEU 54 -5.524 -3.231 -11.003 349 HA LEU 54 HA LEU 54 -2.648 -3.187 -10.491 350 HB3 LEU 54 2HB LEU 54 -3.023 -3.390 -8.095 351 HG LEU 54 HG LEU 54 -4.226 -0.941 -9.382 352 HD11 LEU 54 1HD1 LEU 54 -3.588 -0.866 -6.478 353 HD12 LEU 54 2HD1 LEU 54 -4.806 0.030 -7.416 354 HD13 LEU 54 3HD1 LEU 54 -5.102 -1.665 -6.962 355 HD21 LEU 54 3HD2 LEU 54 -1.588 -1.639 -8.114 356 HD22 LEU 54 1HD2 LEU 54 -1.925 -0.923 -9.708 357 HD23 LEU 54 2HD2 LEU 54 -2.133 0.051 -8.233 358 H ARG 55 H ARG 55 -3.990 -4.878 -12.287 359 HA ARG 55 HA ARG 55 -4.424 -7.292 -10.760 360 HB3 ARG 55 2HB ARG 55 -4.712 -7.010 -13.780 361 HG3 ARG 55 2HG ARG 55 -6.451 -8.594 -11.860 362 HD3 ARG 55 2HD ARG 55 -5.833 -8.593 -14.826 363 HE ARG 55 HE ARG 55 -7.273 -10.948 -13.935 364 HH11 ARG 55 2HH2 ARG 55 -4.003 -9.672 -14.416 365 HH12 ARG 55 1HH2 ARG 55 -3.290 -11.237 -14.626 366 HH22 ARG 55 1HH ARG 55 -4.679 -13.186 -14.501 367 H HIS 56 H HIS 56 -3.258 -9.293 -11.306 368 HA HIS 56 HA HIS 56 -1.212 -9.298 -13.232 369 HB3 HIS 56 2HB HIS 56 0.064 -9.482 -10.565 370 HD1 HIS 56 1HD HIS 56 2.587 -9.004 -10.807 371 HD2 HIS 56 2HD HIS 56 0.404 -8.364 -14.332 372 HE1 HIS 56 1HE HIS 56 4.306 -8.705 -12.667 373 H GLU 57 H GLU 57 0.463 -11.158 -11.487 374 HA GLU 57 HA GLU 57 -1.433 -13.365 -11.607 375 HB3 GLU 57 2HB GLU 57 0.996 -14.602 -11.524 376 HG3 GLU 57 2HG GLU 57 -0.997 -14.028 -13.486 377 HE2 GLU 57 HE GLU 57 -0.150 -12.507 -15.876 378 H GLN 58 H GLN 58 1.384 -12.049 -9.733 379 HA GLN 58 HA GLN 58 0.180 -13.308 -7.397 380 HB3 GLN 58 2HB GLN 58 2.501 -13.717 -6.527 381 HG3 GLN 58 2HG GLN 58 1.344 -15.014 -8.954 382 HE21 GLN 58 1HE2 GLN 58 2.646 -15.179 -10.644 383 HE22 GLN 58 2HE2 GLN 58 4.261 -15.806 -10.640 384 H ILE 59 H ILE 59 -0.647 -11.606 -6.245 385 HA ILE 59 HA ILE 59 0.933 -9.144 -6.182 386 HB ILE 59 HB ILE 59 -0.998 -7.978 -5.842 387 HG13 ILE 59 2HG1 ILE 59 -1.924 -10.418 -4.413 388 HG21 ILE 59 1HG2 ILE 59 -0.942 -9.392 -8.019 389 HG22 ILE 59 2HG2 ILE 59 -2.286 -10.288 -7.273 390 HG23 ILE 59 3HG2 ILE 59 -2.438 -8.540 -7.569 391 HD11 ILE 59 3HD1 ILE 59 -1.838 -8.931 -2.712 392 HD12 ILE 59 1HD1 ILE 59 -1.300 -7.674 -3.852 393 HD13 ILE 59 2HD1 ILE 59 -3.036 -7.905 -3.536 394 H ILE 60 H ILE 60 0.611 -7.943 -3.924 395 HA ILE 60 HA ILE 60 1.154 -9.962 -1.857 396 HB ILE 60 HB ILE 60 2.349 -7.205 -1.905 397 HG13 ILE 60 2HG1 ILE 60 4.273 -7.968 -3.049 398 HG21 ILE 60 1HG2 ILE 60 4.125 -8.581 -0.584 399 HG22 ILE 60 2HG2 ILE 60 2.618 -8.076 0.217 400 HG23 ILE 60 3HG2 ILE 60 2.797 -9.746 -0.371 401 HD11 ILE 60 3HD1 ILE 60 4.938 -10.120 -2.813 402 HD12 ILE 60 1HD1 ILE 60 3.339 -10.590 -2.191 403 HD13 ILE 60 2HD1 ILE 60 3.645 -10.586 -3.944 404 H PHE 61 H PHE 61 0.302 -9.575 0.240 405 HA PHE 61 HA PHE 61 -1.507 -7.288 0.429 406 HB3 PHE 61 2HB PHE 61 -2.470 -9.776 1.712 407 HD1 PHE 61 2HD PHE 61 -3.191 -8.064 -1.532 408 HD2 PHE 61 1HD PHE 61 -4.564 -9.069 2.354 409 HE1 PHE 61 2HE PHE 61 -5.408 -7.002 -2.042 410 HE2 PHE 61 1HE PHE 61 -6.783 -8.009 1.845 411 HZ PHE 61 HZ PHE 61 -7.177 -6.989 -0.348 412 H HIS 62 H HIS 62 -0.362 -6.170 2.000 413 HA HIS 62 HA HIS 62 -0.592 -7.000 4.623 414 HB3 HIS 62 2HB HIS 62 2.316 -7.089 4.040 415 HD1 HIS 62 1HD HIS 62 2.629 -6.762 6.591 416 HD2 HIS 62 2HD HIS 62 0.217 -10.042 5.580 417 HE1 HIS 62 1HE HIS 62 2.337 -8.122 8.731 418 H CYS 63 H CYS 63 1.233 -5.571 5.994 419 HA CYS 63 HA CYS 63 2.395 -3.374 5.078 420 HB3 CYS 63 2HB CYS 63 0.179 -1.786 5.663 421 HG CYS 63 HG CYS 63 2.217 -1.243 4.070 422 H GLN 64 H GLN 64 2.336 -1.508 6.864 423 HA GLN 64 HA GLN 64 2.556 -0.924 8.944 424 HB3 GLN 64 2HB GLN 64 0.361 -2.984 9.401 425 HG3 GLN 64 2HG GLN 64 1.711 -1.058 11.335 426 HE21 GLN 64 1HE2 GLN 64 -0.066 -3.293 12.892 427 HE22 GLN 64 2HE2 GLN 64 -1.526 -2.420 13.219 428 H ALA 65 H ALA 65 1.720 -4.250 9.990 429 HA ALA 65 HA ALA 65 4.174 -5.452 9.866 430 HB1 ALA 65 1HB ALA 65 3.875 -3.560 12.194 431 HB2 ALA 65 2HB ALA 65 4.767 -5.085 12.413 432 HB3 ALA 65 3HB ALA 65 5.304 -3.907 11.192 433 H GLY 66 H GLY 66 1.686 -6.384 9.457 434 HA2 GLY 66 1HA GLY 66 1.281 -8.681 10.526 435 HA3 GLY 66 2HA GLY 66 0.857 -7.737 11.941 436 H LYS 67 H LYS 67 -1.002 -9.471 10.667 437 HA LYS 67 HA LYS 67 -3.152 -7.696 10.309 438 HB3 LYS 67 2HB LYS 67 -2.357 -9.127 7.764 439 HG3 LYS 67 2HG LYS 67 -4.795 -8.088 8.590 440 HD3 LYS 67 2HD LYS 67 -3.370 -5.991 6.883 441 HE3 LYS 67 2HE LYS 67 -5.894 -6.541 6.459 442 HZ1 LYS 67 2HZ LYS 67 -5.931 -5.454 9.193 443 HZ3 LYS 67 1HZ LYS 67 -6.837 -6.653 8.566 444 H ARG 68 H ARG 68 -1.745 -10.951 9.656 445 HA ARG 68 HA ARG 68 -2.382 -12.896 10.412 446 HB3 ARG 68 2HB ARG 68 -5.082 -12.185 11.455 447 HG3 ARG 68 2HG ARG 68 -2.901 -14.002 12.031 448 HD3 ARG 68 2HD ARG 68 -3.904 -13.090 14.653 449 HE ARG 68 HE ARG 68 -1.031 -13.306 14.036 450 HH11 ARG 68 2HH2 ARG 68 -3.974 -15.052 14.957 451 HH12 ARG 68 1HH2 ARG 68 -3.114 -16.406 15.613 452 HH22 ARG 68 1HH ARG 68 -0.717 -16.407 15.569 453 H THR 69 H THR 69 -2.848 -12.076 7.773 454 HA THR 69 HA THR 69 -5.512 -12.429 6.921 455 HB THR 69 HB THR 69 -4.256 -12.762 4.674 456 HG1 THR 69 1HG THR 69 -2.304 -13.619 5.659 457 HG21 THR 69 3HG2 THR 69 -3.740 -10.474 4.483 458 HG22 THR 69 1HG2 THR 69 -4.816 -10.439 5.900 459 HG23 THR 69 2HG2 THR 69 -3.050 -10.393 6.122 460 H SER 70 H SER 70 -3.118 -14.671 8.061 461 HA SER 70 HA SER 70 -3.752 -16.875 6.565 462 HB3 SER 70 2HB SER 70 -2.905 -16.643 9.484 463 HG SER 70 HG SER 70 -2.799 -18.783 9.573 464 H ASN 71 H ASN 71 -5.681 -15.093 8.824 465 HA ASN 71 HA ASN 71 -7.194 -17.116 9.926 466 HB3 ASN 71 2HB ASN 71 -8.913 -14.869 9.490 467 HD21 ASN 71 1HD2 ASN 71 -9.387 -13.790 11.475 468 HD22 ASN 71 2HD2 ASN 71 -9.000 -14.513 13.001 469 H ASN 72 H ASN 72 -8.052 -14.834 7.202 470 HA ASN 72 HA ASN 72 -9.595 -17.028 6.061 471 HB3 ASN 72 2HB ASN 72 -11.050 -15.084 5.084 472 HD21 ASN 72 1HD2 ASN 72 -10.823 -14.126 8.360 473 HD22 ASN 72 2HD2 ASN 72 -12.073 -15.121 9.030 474 H ALA 73 H ALA 73 -6.885 -16.644 5.410 475 HA ALA 73 HA ALA 73 -6.325 -14.791 3.431 476 HB1 ALA 73 1HB ALA 73 -4.665 -16.803 2.787 477 HB2 ALA 73 2HB ALA 73 -4.432 -15.812 4.248 478 HB3 ALA 73 3HB ALA 73 -5.212 -17.407 4.368 479 H ASP 74 H ASP 74 -8.371 -17.616 3.394 480 HA ASP 74 HA ASP 74 -8.106 -18.360 0.758 481 HB3 ASP 74 2HB ASP 74 -10.832 -18.382 2.034 482 HD2 ASP 74 HD ASP 74 -11.936 -20.073 0.558 483 H LYS 75 H LYS 75 -10.717 -16.338 2.324 484 HA LYS 75 HA LYS 75 -11.910 -15.490 -0.015 485 HB3 LYS 75 2HB LYS 75 -11.939 -13.535 2.181 486 HG3 LYS 75 2HG LYS 75 -14.355 -15.110 1.666 487 HD3 LYS 75 2HD LYS 75 -14.056 -12.314 0.649 488 HE3 LYS 75 2HE LYS 75 -16.077 -12.152 2.339 489 HZ1 LYS 75 2HZ LYS 75 -15.945 -12.714 -0.299 490 HZ3 LYS 75 1HZ LYS 75 -17.343 -12.477 0.503 491 H LEU 76 H LEU 76 -8.929 -14.436 1.587 492 HA LEU 76 HA LEU 76 -8.741 -11.980 0.175 493 HB3 LEU 76 2HB LEU 76 -6.356 -12.100 0.985 494 HG LEU 76 HG LEU 76 -8.635 -12.351 2.946 495 HD11 LEU 76 1HD1 LEU 76 -5.880 -12.826 3.529 496 HD12 LEU 76 2HD1 LEU 76 -6.356 -11.274 4.257 497 HD13 LEU 76 3HD1 LEU 76 -7.267 -12.753 4.641 498 HD21 LEU 76 3HD2 LEU 76 -8.868 -10.255 2.147 499 HD22 LEU 76 1HD2 LEU 76 -7.573 -9.896 3.314 500 HD23 LEU 76 2HD2 LEU 76 -7.177 -10.153 1.598 501 H ALA 77 H ALA 77 -7.592 -15.345 -0.336 502 HA ALA 77 HA ALA 77 -6.094 -14.602 -2.664 503 HB1 ALA 77 1HB ALA 77 -5.168 -16.441 -1.597 504 HB2 ALA 77 2HB ALA 77 -6.753 -17.117 -1.153 505 HB3 ALA 77 3HB ALA 77 -6.165 -17.253 -2.828 506 H ALA 78 H ALA 78 -9.340 -14.600 -2.048 507 HA ALA 78 HA ALA 78 -10.000 -15.661 -4.708 508 HB1 ALA 78 1HB ALA 78 -12.295 -15.134 -3.032 509 HB2 ALA 78 2HB ALA 78 -11.734 -16.681 -3.711 510 HB3 ALA 78 3HB ALA 78 -11.116 -16.123 -2.137 511 H ILE 79 H ILE 79 -9.184 -12.843 -3.148 512 HA ILE 79 HA ILE 79 -11.274 -11.212 -4.313 513 HB ILE 79 HB ILE 79 -9.314 -10.976 -2.200 514 HG13 ILE 79 2HG1 ILE 79 -11.729 -10.789 -1.890 515 HG21 ILE 79 1HG2 ILE 79 -8.818 -8.572 -2.509 516 HG22 ILE 79 2HG2 ILE 79 -8.050 -9.604 -3.738 517 HG23 ILE 79 3HG2 ILE 79 -9.503 -8.663 -4.149 518 HD11 ILE 79 3HD1 ILE 79 -10.062 -9.475 -0.437 519 HD12 ILE 79 1HD1 ILE 79 -10.484 -8.051 -1.420 520 HD13 ILE 79 2HD1 ILE 79 -11.736 -8.865 -0.451 521 H ALA 80 H ALA 80 -7.747 -11.884 -4.696 522 HA ALA 80 HA ALA 80 -7.875 -10.403 -7.230 523 HB1 ALA 80 1HB ALA 80 -5.217 -11.147 -6.240 524 HB2 ALA 80 2HB ALA 80 -5.849 -9.553 -6.718 525 HB3 ALA 80 3HB ALA 80 -6.128 -10.164 -5.069 526 H ALA 81 H ALA 81 -9.031 -13.023 -6.998 527 HA ALA 81 HA ALA 81 -7.005 -14.670 -8.341 528 HB1 ALA 81 1HB ALA 81 -7.769 -16.367 -7.082 529 HB2 ALA 81 2HB ALA 81 -8.783 -15.197 -6.204 530 HB3 ALA 81 3HB ALA 81 -9.441 -16.063 -7.611 531 HA PRO 82 HA PRO 82 -7.767 -16.768 -9.029 532 HB3 PRO 82 2HB PRO 82 -8.564 -18.387 -10.460 533 HG3 PRO 82 2HG PRO 82 -9.668 -17.574 -12.314 534 HD3 PRO 82 2HD PRO 82 -10.328 -15.516 -11.527 535 H ALA 83 H ALA 83 -5.861 -16.355 -8.123 536 HA ALA 83 HA ALA 83 -3.632 -15.991 -9.853 537 HB1 ALA 83 1HB ALA 83 -4.997 -13.683 -9.522 538 HB2 ALA 83 2HB ALA 83 -3.991 -13.634 -8.055 539 HB3 ALA 83 3HB ALA 83 -3.224 -13.744 -9.657 540 H GLU 84 H GLU 84 -1.585 -15.692 -8.491 541 HA GLU 84 HA GLU 84 -2.024 -17.136 -6.008 542 HB3 GLU 84 2HB GLU 84 0.577 -17.464 -6.281 543 HG3 GLU 84 2HG GLU 84 -1.016 -18.815 -8.463 544 HE2 GLU 84 HE GLU 84 -0.088 -21.158 -8.490 545 H ILE 85 H ILE 85 -2.701 -15.098 -4.923 546 HA ILE 85 HA ILE 85 -0.738 -13.018 -4.697 547 HB ILE 85 HB ILE 85 -2.373 -11.980 -3.214 548 HG13 ILE 85 2HG1 ILE 85 -3.154 -14.278 -2.305 549 HG21 ILE 85 1HG2 ILE 85 -4.024 -12.967 -5.498 550 HG22 ILE 85 2HG2 ILE 85 -3.759 -11.312 -4.898 551 HG23 ILE 85 3HG2 ILE 85 -2.497 -12.124 -5.857 552 HD11 ILE 85 3HD1 ILE 85 -4.139 -11.816 -1.979 553 HD12 ILE 85 1HD1 ILE 85 -5.488 -12.477 -2.935 554 HD13 ILE 85 2HD1 ILE 85 -5.031 -13.239 -1.393 555 H PHE 86 H PHE 86 0.615 -12.569 -2.953 556 HA PHE 86 HA PHE 86 0.764 -14.741 -0.984 557 HB3 PHE 86 2HB PHE 86 3.182 -14.133 -0.918 558 HD1 PHE 86 2HD PHE 86 1.586 -16.160 -2.428 559 HD2 PHE 86 1HD PHE 86 4.207 -13.113 -3.792 560 HE1 PHE 86 2HE PHE 86 2.067 -17.500 -4.494 561 HE2 PHE 86 1HE PHE 86 4.688 -14.454 -5.858 562 HZ PHE 86 HZ PHE 86 3.612 -16.631 -6.186 563 H LEU 87 H LEU 87 1.295 -14.174 1.235 564 HA LEU 87 HA LEU 87 0.656 -11.368 1.838 565 HB3 LEU 87 2HB LEU 87 -0.610 -12.013 3.676 566 HG LEU 87 HG LEU 87 -1.220 -13.470 1.224 567 HD11 LEU 87 1HD1 LEU 87 -2.234 -15.355 1.930 568 HD12 LEU 87 2HD1 LEU 87 -1.095 -15.209 3.290 569 HD13 LEU 87 3HD1 LEU 87 -2.767 -14.627 3.464 570 HD21 LEU 87 3HD2 LEU 87 -3.508 -12.795 2.823 571 HD22 LEU 87 1HD2 LEU 87 -2.332 -11.459 2.861 572 HD23 LEU 87 2HD2 LEU 87 -2.937 -12.069 1.302 573 H LEU 88 H LEU 88 1.835 -10.369 3.550 574 HA LEU 88 HA LEU 88 4.457 -11.542 3.875 575 HB3 LEU 88 2HB LEU 88 4.112 -9.085 5.294 576 HG LEU 88 HG LEU 88 5.665 -8.148 3.687 577 HD11 LEU 88 1HD1 LEU 88 6.965 -10.758 3.879 578 HD12 LEU 88 2HD1 LEU 88 7.398 -9.197 4.619 579 HD13 LEU 88 3HD1 LEU 88 6.193 -10.248 5.401 580 HD21 LEU 88 3HD2 LEU 88 4.846 -10.502 2.036 581 HD22 LEU 88 1HD2 LEU 88 5.115 -8.807 1.566 582 HD23 LEU 88 2HD2 LEU 88 6.504 -9.876 1.874 583 H GLU 89 H GLU 89 5.406 -12.132 5.864 584 HA GLU 89 HA GLU 89 3.597 -13.230 7.687 585 HB3 GLU 89 2HB GLU 89 5.884 -14.130 7.201 586 HG3 GLU 89 2HG GLU 89 6.656 -11.524 8.522 587 HE2 GLU 89 HE GLU 89 9.884 -13.330 8.891 588 H ASP 90 H ASP 90 4.967 -12.639 10.213 589 HA ASP 90 HA ASP 90 3.585 -10.210 10.771 590 HB3 ASP 90 2HB ASP 90 4.131 -10.701 13.111 591 HD2 ASP 90 HD ASP 90 1.517 -12.256 12.123 592 H GLY 91 H GLY 91 4.997 -8.730 9.480 593 HA2 GLY 91 1HA GLY 91 6.585 -7.020 10.477 594 HA3 GLY 91 2HA GLY 91 7.704 -8.364 10.604 595 H ILE 92 H ILE 92 6.273 -5.972 8.500 596 HA ILE 92 HA ILE 92 7.035 -7.227 6.055 597 HB ILE 92 HB ILE 92 6.224 -5.302 5.008 598 HG13 ILE 92 2HG1 ILE 92 7.023 -3.922 7.523 599 HG21 ILE 92 1HG2 ILE 92 4.552 -6.715 6.245 600 HG22 ILE 92 2HG2 ILE 92 4.569 -5.488 7.534 601 HG23 ILE 92 3HG2 ILE 92 4.030 -5.051 5.895 602 HD11 ILE 92 3HD1 ILE 92 6.865 -2.442 4.985 603 HD12 ILE 92 1HD1 ILE 92 8.259 -2.700 6.059 604 HD13 ILE 92 2HD1 ILE 92 7.832 -3.928 4.844 605 H ASP 93 H ASP 93 8.832 -6.017 8.597 606 HA ASP 93 HA ASP 93 10.637 -4.324 7.547 607 HB3 ASP 93 2HB ASP 93 10.779 -4.917 9.868 608 HD2 ASP 93 HD ASP 93 11.717 -8.786 9.820 609 H GLY 94 H GLY 94 10.047 -7.705 6.781 610 HA2 GLY 94 1HA GLY 94 12.318 -8.860 6.011 611 HA3 GLY 94 2HA GLY 94 10.859 -8.926 5.043 612 H TRP 95 H TRP 95 10.767 -6.048 4.385 613 HA TRP 95 HA TRP 95 12.443 -6.120 2.110 614 HB3 TRP 95 2HB TRP 95 10.601 -4.087 3.332 615 HD1 TRP 95 HD TRP 95 10.918 -1.594 2.641 616 HE1 TRP 95 1HE TRP 95 12.226 -0.186 0.832 617 HE3 TRP 95 3HE TRP 95 12.875 -5.592 0.184 618 HZ2 TRP 95 2HZ TRP 95 13.896 -0.889 -1.373 619 HZ3 TRP 95 3HZ TRP 95 14.333 -5.143 -1.786 620 HH2 TRP 95 HH TRP 95 14.854 -2.889 -2.573 621 H LYS 96 H LYS 96 12.349 -3.916 5.013 622 HA LYS 96 HA LYS 96 14.807 -2.720 4.456 623 HB3 LYS 96 2HB LYS 96 13.283 -3.006 7.062 624 HG3 LYS 96 2HG LYS 96 15.905 -1.862 6.446 625 HD3 LYS 96 2HD LYS 96 14.033 0.104 6.210 626 HE3 LYS 96 2HE LYS 96 13.477 -0.582 8.757 627 HZ1 LYS 96 2HZ LYS 96 14.990 1.539 9.711 628 HZ3 LYS 96 1HZ LYS 96 16.052 0.590 8.922 629 H LYS 97 H LYS 97 14.026 -5.905 5.506 630 HA LYS 97 HA LYS 97 16.196 -6.420 7.190 631 HB3 LYS 97 2HB LYS 97 14.917 -8.462 5.373 632 HG3 LYS 97 2HG LYS 97 15.833 -8.519 8.289 633 HD3 LYS 97 2HD LYS 97 14.839 -10.676 6.369 634 HE3 LYS 97 2HE LYS 97 16.460 -10.817 8.903 635 HZ1 LYS 97 2HZ LYS 97 13.998 -11.930 8.929 636 HZ3 LYS 97 1HZ LYS 97 15.260 -12.510 9.781 637 H ALA 98 H ALA 98 16.052 -5.650 3.838 638 HA ALA 98 HA ALA 98 18.681 -6.891 3.416 639 HB1 ALA 98 1HB ALA 98 16.394 -6.149 1.578 640 HB2 ALA 98 2HB ALA 98 18.043 -6.385 0.951 641 HB3 ALA 98 3HB ALA 98 17.205 -7.720 1.775 642 H GLY 99 H GLY 99 17.936 -4.333 4.914 643 HA2 GLY 99 1HA GLY 99 18.802 -2.273 5.138 644 HA3 GLY 99 2HA GLY 99 20.043 -2.730 3.990 645 H LEU 100 H LEU 100 16.471 -2.615 3.450 646 HA LEU 100 HA LEU 100 16.848 -0.261 1.774 647 HB3 LEU 100 2HB LEU 100 15.721 -1.248 -0.102 648 HG LEU 100 HG LEU 100 18.280 -2.195 0.736 649 HD11 LEU 100 1HD1 LEU 100 16.702 -4.316 -0.742 650 HD12 LEU 100 2HD1 LEU 100 18.421 -4.372 -0.285 651 HD13 LEU 100 3HD1 LEU 100 17.165 -4.399 0.974 652 HD21 LEU 100 3HD2 LEU 100 17.538 -2.558 -2.088 653 HD22 LEU 100 1HD2 LEU 100 17.181 -0.943 -1.428 654 HD23 LEU 100 2HD2 LEU 100 18.838 -1.591 -1.349 655 HA PRO 101 HA PRO 101 13.224 0.319 4.232 656 HB3 PRO 101 2HB PRO 101 14.137 2.016 5.492 657 HG3 PRO 101 2HG PRO 101 16.123 2.861 4.677 658 HD3 PRO 101 2HD PRO 101 16.858 1.062 3.451 659 H VAL 102 H VAL 102 11.290 2.048 3.989 660 HA VAL 102 HA VAL 102 10.406 1.495 1.292 661 HB VAL 102 HB VAL 102 8.253 2.253 2.102 662 HG11 VAL 102 1HG1 VAL 102 9.804 0.281 3.761 663 HG12 VAL 102 2HG1 VAL 102 8.118 0.667 4.182 664 HG13 VAL 102 3HG1 VAL 102 8.503 -0.002 2.579 665 HG21 VAL 102 3HG2 VAL 102 9.665 2.933 4.704 666 HG22 VAL 102 1HG2 VAL 102 9.026 4.107 3.528 667 HG23 VAL 102 2HG2 VAL 102 7.914 3.025 4.398 668 H ALA 103 H ALA 103 8.740 3.660 0.743 669 HA ALA 103 HA ALA 103 10.738 5.632 0.033 670 HB1 ALA 103 1HB ALA 103 9.451 5.838 -1.800 671 HB2 ALA 103 2HB ALA 103 8.428 4.528 -1.166 672 HB3 ALA 103 3HB ALA 103 8.023 6.224 -0.812 673 H VAL 104 H VAL 104 11.238 6.988 1.721 674 HA VAL 104 HA VAL 104 9.054 7.938 3.391 675 HB VAL 104 HB VAL 104 11.905 8.752 3.741 676 HG11 VAL 104 1HG1 VAL 104 10.667 7.807 6.123 677 HG12 VAL 104 2HG1 VAL 104 11.069 9.482 5.674 678 HG13 VAL 104 3HG1 VAL 104 9.472 8.810 5.262 679 HG21 VAL 104 3HG2 VAL 104 12.392 6.508 3.373 680 HG22 VAL 104 1HG2 VAL 104 12.120 6.557 5.132 681 HG23 VAL 104 2HG2 VAL 104 10.844 5.952 4.049 682 H ASN 105 H ASN 105 10.085 10.484 4.083 683 HA ASN 105 HA ASN 105 9.058 11.957 1.941 684 HB3 ASN 105 2HB ASN 105 8.870 12.723 4.291 685 HD21 ASN 105 1HD2 ASN 105 11.342 14.816 4.301 686 HD22 ASN 105 2HD2 ASN 105 12.446 14.064 5.403 687 H LYS 106 H LYS 106 10.190 12.564 0.091 688 HA LYS 106 HA LYS 106 13.033 12.215 0.012 689 HB3 LYS 106 2HB LYS 106 12.243 13.439 -2.357 690 HG3 LYS 106 2HG LYS 106 12.196 10.466 -1.652 691 HD3 LYS 106 2HD LYS 106 11.307 11.295 -3.956 692 HE3 LYS 106 2HE LYS 106 13.705 11.396 -5.362 693 HZ1 LYS 106 2HZ LYS 106 11.507 12.936 -5.136 694 HZ3 LYS 106 1HZ LYS 106 12.785 13.332 -6.065 695 H SER 107 H SER 107 13.955 14.285 -1.586 696 HA SER 107 HA SER 107 14.991 16.185 -1.250 697 HB3 SER 107 2HB SER 107 12.977 18.018 -0.590 698 HG SER 107 HG SER 107 14.233 17.065 -2.904 699 H GLN 108 H GLN 108 16.247 15.755 0.646 700 HA GLN 108 HA GLN 108 15.141 15.939 3.206 701 HB3 GLN 108 2HB GLN 108 17.931 16.439 3.394 702 HG3 GLN 108 2HG GLN 108 16.840 13.631 3.244 703 HE21 GLN 108 1HE2 GLN 108 17.088 13.805 6.248 704 HE22 GLN 108 2HE2 GLN 108 18.785 13.711 6.582 Start of MODEL 10 1 H1 ALA 1 H ALA 1 -1.775 -19.757 -4.395 2 HA ALA 1 HA ALA 1 -4.265 -18.260 -3.971 3 HB1 ALA 1 1HB ALA 1 -4.099 -20.467 -2.149 4 HB2 ALA 1 2HB ALA 1 -5.326 -20.153 -3.400 5 HB3 ALA 1 3HB ALA 1 -3.868 -21.093 -3.800 6 H LEU 2 H LEU 2 -4.517 -18.250 -1.311 7 HA LEU 2 HA LEU 2 -2.559 -16.503 -0.449 8 HB3 LEU 2 2HB LEU 2 -5.014 -17.293 0.401 9 HG LEU 2 HG LEU 2 -4.023 -19.213 1.701 10 HD11 LEU 2 1HD1 LEU 2 -3.057 -17.658 3.924 11 HD12 LEU 2 2HD1 LEU 2 -2.256 -18.960 3.015 12 HD13 LEU 2 3HD1 LEU 2 -2.125 -17.276 2.456 13 HD21 LEU 2 3HD2 LEU 2 -5.865 -17.158 2.570 14 HD22 LEU 2 1HD2 LEU 2 -5.939 -18.923 2.788 15 HD23 LEU 2 2HD2 LEU 2 -5.054 -17.917 3.962 16 H THR 3 H THR 3 -0.426 -16.938 -0.264 17 HA THR 3 HA THR 3 0.306 -19.280 1.332 18 HB THR 3 HB THR 3 1.702 -18.585 -1.294 19 HG1 THR 3 1HG THR 3 -0.217 -19.382 -2.088 20 HG21 THR 3 3HG2 THR 3 3.033 -20.100 0.044 21 HG22 THR 3 1HG2 THR 3 1.592 -21.003 0.571 22 HG23 THR 3 2HG2 THR 3 2.157 -21.131 -1.113 23 H THR 4 H THR 4 2.784 -19.164 1.818 24 HA THR 4 HA THR 4 3.359 -16.341 2.445 25 HB THR 4 HB THR 4 4.135 -18.885 3.970 26 HG1 THR 4 1HG THR 4 1.941 -18.580 4.364 27 HG21 THR 4 3HG2 THR 4 3.942 -16.382 5.470 28 HG22 THR 4 1HG2 THR 4 5.316 -17.507 5.360 29 HG23 THR 4 2HG2 THR 4 5.125 -16.216 4.150 30 H ILE 5 H ILE 5 5.078 -15.445 1.507 31 HA ILE 5 HA ILE 5 7.158 -17.290 0.558 32 HB ILE 5 HB ILE 5 5.543 -16.213 -1.167 33 HG13 ILE 5 2HG1 ILE 5 7.113 -16.630 -2.765 34 HG21 ILE 5 1HG2 ILE 5 5.528 -13.948 -0.519 35 HG22 ILE 5 2HG2 ILE 5 7.304 -13.877 -0.417 36 HG23 ILE 5 3HG2 ILE 5 6.509 -14.014 -2.003 37 HD11 ILE 5 3HD1 ILE 5 8.944 -14.980 -1.011 38 HD12 ILE 5 1HD1 ILE 5 9.640 -16.073 -2.232 39 HD13 ILE 5 2HD1 ILE 5 8.542 -14.764 -2.732 40 H SER 6 H SER 6 9.321 -16.586 0.789 41 HA SER 6 HA SER 6 9.720 -14.922 2.991 42 HB3 SER 6 2HB SER 6 12.203 -15.102 2.123 43 HG SER 6 HG SER 6 10.592 -16.802 3.474 44 HA PRO 7 HA PRO 7 9.957 -11.075 0.952 45 HB3 PRO 7 2HB PRO 7 9.373 -9.943 2.872 46 HG3 PRO 7 2HG PRO 7 9.720 -11.118 4.825 47 HD3 PRO 7 2HD PRO 7 9.648 -13.272 4.026 48 H HIS 8 H HIS 8 12.483 -13.041 1.462 49 HA HIS 8 HA HIS 8 14.467 -11.099 0.646 50 HB3 HIS 8 2HB HIS 8 15.504 -13.754 0.667 51 HD1 HIS 8 1HD HIS 8 15.146 -11.846 3.905 52 HD2 HIS 8 2HD HIS 8 17.875 -12.228 0.742 53 HE1 HIS 8 1HE HIS 8 17.289 -10.692 4.668 54 H ASP 9 H ASP 9 12.479 -13.757 -0.640 55 HA ASP 9 HA ASP 9 13.917 -13.551 -3.148 56 HB3 ASP 9 2HB ASP 9 11.601 -15.433 -2.754 57 HD2 ASP 9 HD ASP 9 14.878 -16.665 -4.708 58 H ALA 10 H ALA 10 10.915 -12.772 -1.452 59 HA ALA 10 HA ALA 10 9.214 -12.514 -3.670 60 HB1 ALA 10 1HB ALA 10 9.266 -11.739 -0.795 61 HB2 ALA 10 2HB ALA 10 8.190 -10.782 -1.843 62 HB3 ALA 10 3HB ALA 10 7.992 -12.549 -1.740 63 H GLN 11 H GLN 11 11.809 -10.526 -2.330 64 HA GLN 11 HA GLN 11 10.926 -8.147 -3.580 65 HB3 GLN 11 2HB GLN 11 13.786 -8.674 -2.731 66 HG3 GLN 11 2HG GLN 11 13.095 -6.273 -1.696 67 HE21 GLN 11 1HE2 GLN 11 13.215 -4.430 -3.656 68 HE22 GLN 11 2HE2 GLN 11 14.596 -4.665 -4.676 69 H GLU 12 H GLU 12 12.000 -11.018 -4.871 70 HA GLU 12 HA GLU 12 13.578 -9.724 -6.933 71 HB3 GLU 12 2HB GLU 12 13.179 -12.640 -6.158 72 HG3 GLU 12 2HG GLU 12 14.075 -11.444 -8.721 73 HE2 GLU 12 HE GLU 12 15.905 -14.110 -9.298 74 H LEU 13 H LEU 13 10.714 -11.888 -6.452 75 HA LEU 13 HA LEU 13 10.023 -11.986 -9.171 76 HB3 LEU 13 2HB LEU 13 9.249 -13.668 -7.701 77 HG LEU 13 HG LEU 13 8.933 -11.881 -5.705 78 HD11 LEU 13 1HD1 LEU 13 6.478 -11.734 -5.215 79 HD12 LEU 13 2HD1 LEU 13 7.030 -10.739 -6.584 80 HD13 LEU 13 3HD1 LEU 13 6.174 -12.269 -6.885 81 HD21 LEU 13 3HD2 LEU 13 9.135 -14.201 -5.276 82 HD22 LEU 13 1HD2 LEU 13 7.601 -13.685 -4.537 83 HD23 LEU 13 2HD2 LEU 13 7.591 -14.563 -6.085 84 H ILE 14 H ILE 14 9.295 -9.712 -6.506 85 HA ILE 14 HA ILE 14 7.247 -8.333 -7.830 86 HB ILE 14 HB ILE 14 9.017 -7.887 -5.491 87 HG13 ILE 14 2HG1 ILE 14 6.764 -9.096 -5.517 88 HG21 ILE 14 1HG2 ILE 14 9.277 -5.722 -6.295 89 HG22 ILE 14 2HG2 ILE 14 7.644 -5.677 -7.003 90 HG23 ILE 14 3HG2 ILE 14 7.852 -5.595 -5.237 91 HD11 ILE 14 3HD1 ILE 14 6.893 -8.674 -3.300 92 HD12 ILE 14 1HD1 ILE 14 7.956 -7.284 -3.628 93 HD13 ILE 14 2HD1 ILE 14 6.191 -7.061 -3.565 94 H ALA 15 H ALA 15 10.819 -7.768 -7.611 95 HA ALA 15 HA ALA 15 10.731 -5.491 -9.289 96 HB1 ALA 15 1HB ALA 15 12.720 -7.163 -7.892 97 HB2 ALA 15 2HB ALA 15 13.307 -6.477 -9.425 98 HB3 ALA 15 3HB ALA 15 12.686 -5.402 -8.151 99 H ARG 16 H ARG 16 10.186 -8.793 -9.892 100 HA ARG 16 HA ARG 16 11.379 -8.700 -12.505 101 HB3 ARG 16 2HB ARG 16 10.109 -11.089 -12.506 102 HG3 ARG 16 2HG ARG 16 12.599 -10.461 -10.847 103 HD3 ARG 16 2HD ARG 16 11.608 -12.766 -10.464 104 HE ARG 16 HE ARG 16 11.682 -12.833 -13.414 105 HH11 ARG 16 2HH2 ARG 16 11.444 -14.720 -10.425 106 HH12 ARG 16 1HH2 ARG 16 10.742 -16.098 -11.205 107 HH22 ARG 16 1HH ARG 16 10.349 -16.035 -13.568 108 H GLY 17 H GLY 17 8.319 -8.177 -10.883 109 HA2 GLY 17 1HA GLY 17 6.984 -6.997 -12.923 110 HA3 GLY 17 2HA GLY 17 6.648 -8.698 -13.175 111 H ALA 18 H ALA 18 6.658 -9.589 -10.423 112 HA ALA 18 HA ALA 18 4.072 -9.334 -9.708 113 HB1 ALA 18 1HB ALA 18 6.505 -10.325 -8.577 114 HB2 ALA 18 2HB ALA 18 5.648 -9.421 -7.306 115 HB3 ALA 18 3HB ALA 18 4.833 -10.760 -8.151 116 H LYS 19 H LYS 19 2.802 -7.972 -8.385 117 HA LYS 19 HA LYS 19 4.076 -5.389 -7.800 118 HB3 LYS 19 2HB LYS 19 1.129 -5.582 -8.237 119 HG3 LYS 19 2HG LYS 19 2.712 -3.494 -7.681 120 HD3 LYS 19 2HD LYS 19 2.686 -3.211 -10.674 121 HE3 LYS 19 2HE LYS 19 5.109 -2.320 -9.523 122 HZ1 LYS 19 2HZ LYS 19 2.621 -1.036 -10.424 123 HZ3 LYS 19 1HZ LYS 19 4.110 -0.938 -11.076 124 H LEU 20 H LEU 20 3.095 -4.211 -5.916 125 HA LEU 20 HA LEU 20 2.228 -6.169 -3.904 126 HB3 LEU 20 2HB LEU 20 3.826 -3.643 -3.471 127 HG LEU 20 HG LEU 20 2.626 -5.576 -1.625 128 HD11 LEU 20 1HD1 LEU 20 4.388 -6.470 -0.598 129 HD12 LEU 20 2HD1 LEU 20 5.346 -5.972 -2.014 130 HD13 LEU 20 3HD1 LEU 20 5.264 -4.921 -0.581 131 HD21 LEU 20 3HD2 LEU 20 2.229 -3.682 -0.546 132 HD22 LEU 20 1HD2 LEU 20 3.973 -3.385 -0.358 133 HD23 LEU 20 2HD2 LEU 20 3.122 -2.795 -1.805 134 H ILE 21 H ILE 21 0.780 -5.281 -2.190 135 HA ILE 21 HA ILE 21 -0.695 -2.923 -3.080 136 HB ILE 21 HB ILE 21 -1.597 -5.477 -3.589 137 HG13 ILE 21 2HG1 ILE 21 -2.901 -2.773 -3.427 138 HG21 ILE 21 1HG2 ILE 21 -1.965 -5.779 -1.140 139 HG22 ILE 21 2HG2 ILE 21 -3.142 -4.446 -1.199 140 HG23 ILE 21 3HG2 ILE 21 -3.438 -5.936 -2.127 141 HD11 ILE 21 3HD1 ILE 21 -2.809 -2.880 -5.794 142 HD12 ILE 21 1HD1 ILE 21 -1.267 -3.610 -5.286 143 HD13 ILE 21 2HD1 ILE 21 -2.619 -4.650 -5.795 144 H ASP 22 H ASP 22 -1.051 -1.532 -1.423 145 HA ASP 22 HA ASP 22 -0.338 -2.509 1.198 146 HB3 ASP 22 2HB ASP 22 0.670 -0.468 1.187 147 HD2 ASP 22 HD ASP 22 -0.209 2.150 -1.243 148 H ILE 23 H ILE 23 -2.136 -3.443 2.226 149 HA ILE 23 HA ILE 23 -4.750 -2.263 1.772 150 HB ILE 23 HB ILE 23 -4.062 -4.693 3.414 151 HG13 ILE 23 2HG1 ILE 23 -3.070 -5.067 1.253 152 HG21 ILE 23 1HG2 ILE 23 -6.271 -5.096 3.544 153 HG22 ILE 23 2HG2 ILE 23 -6.413 -3.349 3.233 154 HG23 ILE 23 3HG2 ILE 23 -6.587 -4.509 1.894 155 HD11 ILE 23 3HD1 ILE 23 -5.200 -6.609 2.313 156 HD12 ILE 23 1HD1 ILE 23 -5.510 -6.508 0.563 157 HD13 ILE 23 2HD1 ILE 23 -3.958 -7.148 1.157 158 H ARG 24 H ARG 24 -2.954 -0.518 3.066 159 HA ARG 24 HA ARG 24 -3.974 -0.648 5.789 160 HB3 ARG 24 2HB ARG 24 -1.540 -0.794 5.806 161 HG3 ARG 24 2HG ARG 24 -1.781 1.014 3.539 162 HD3 ARG 24 2HD ARG 24 0.264 1.828 5.659 163 HE ARG 24 HE ARG 24 0.443 2.198 2.950 164 HH11 ARG 24 2HH2 ARG 24 -0.221 4.458 5.597 165 HH12 ARG 24 1HH2 ARG 24 0.471 5.817 4.776 166 HH22 ARG 24 1HH ARG 24 1.394 5.519 2.584 167 H ASP 25 H ASP 25 -3.517 1.960 6.650 168 HA ASP 25 HA ASP 25 -5.639 3.333 5.879 169 HB3 ASP 25 2HB ASP 25 -4.641 5.270 6.860 170 HD2 ASP 25 HD ASP 25 -4.418 3.439 9.771 171 H ALA 26 H ALA 26 -5.887 5.347 4.468 172 HA ALA 26 HA ALA 26 -4.244 5.077 2.047 173 HB1 ALA 26 1HB ALA 26 -7.054 5.032 2.468 174 HB2 ALA 26 2HB ALA 26 -6.686 6.582 1.671 175 HB3 ALA 26 3HB ALA 26 -6.184 5.048 0.915 176 H ASP 27 H ASP 27 -6.359 7.673 3.446 177 HA ASP 27 HA ASP 27 -4.109 9.466 3.009 178 HB3 ASP 27 2HB ASP 27 -6.823 10.577 3.592 179 HD2 ASP 27 HD ASP 27 -5.608 13.201 2.850 180 H GLU 28 H GLU 28 -5.849 7.737 5.371 181 HA GLU 28 HA GLU 28 -6.175 9.625 7.369 182 HB3 GLU 28 2HB GLU 28 -5.809 7.333 8.794 183 HG3 GLU 28 2HG GLU 28 -8.285 6.922 7.461 184 HE2 GLU 28 HE GLU 28 -8.892 9.543 9.220 185 H TYR 29 H TYR 29 -3.385 7.578 6.405 186 HA TYR 29 HA TYR 29 -1.778 9.040 8.389 187 HB3 TYR 29 2HB TYR 29 -0.973 6.386 7.161 188 HD1 TYR 29 1HD TYR 29 -1.725 8.034 10.458 189 HD2 TYR 29 2HD TYR 29 0.988 5.662 8.151 190 HE1 TYR 29 1HE TYR 29 -0.109 7.960 12.420 191 HE2 TYR 29 2HE TYR 29 2.594 5.596 10.121 192 HH TYR 29 HH TYR 29 3.100 6.864 12.070 193 H LEU 30 H LEU 30 -1.845 7.444 5.142 194 HA LEU 30 HA LEU 30 -0.292 7.572 3.495 195 HB3 LEU 30 2HB LEU 30 -1.371 10.355 3.906 196 HG LEU 30 HG LEU 30 0.532 9.418 1.859 197 HD11 LEU 30 1HD1 LEU 30 -0.528 10.080 -0.066 198 HD12 LEU 30 2HD1 LEU 30 -1.887 9.358 0.828 199 HD13 LEU 30 3HD1 LEU 30 -1.685 11.127 0.793 200 HD21 LEU 30 3HD2 LEU 30 1.389 11.435 2.220 201 HD22 LEU 30 1HD2 LEU 30 -0.153 12.234 1.832 202 HD23 LEU 30 2HD2 LEU 30 0.160 11.660 3.488 203 H ARG 31 H ARG 31 1.148 7.321 5.859 204 HA ARG 31 HA ARG 31 3.084 9.457 5.780 205 HB3 ARG 31 2HB ARG 31 3.873 7.408 7.629 206 HG3 ARG 31 2HG ARG 31 2.518 10.122 7.916 207 HD3 ARG 31 2HD ARG 31 3.256 8.070 9.996 208 HE ARG 31 HE ARG 31 4.490 10.592 10.086 209 HH11 ARG 31 2HH2 ARG 31 2.217 8.789 12.118 210 HH12 ARG 31 1HH2 ARG 31 2.733 9.550 13.587 211 HH22 ARG 31 1HH ARG 31 4.471 11.198 13.507 212 H GLU 32 H GLU 32 3.462 5.874 6.272 213 HA GLU 32 HA GLU 32 5.944 5.851 5.009 214 HB3 GLU 32 2HB GLU 32 5.432 3.267 4.999 215 HG3 GLU 32 2HG GLU 32 6.599 4.886 6.826 216 HE2 GLU 32 HE GLU 32 5.799 6.131 8.285 217 H HIS 33 H HIS 33 6.394 4.226 3.088 218 HA HIS 33 HA HIS 33 4.350 3.825 1.212 219 HB3 HIS 33 2HB HIS 33 6.266 5.961 0.304 220 HD1 HIS 33 1HD HIS 33 4.293 7.615 -1.238 221 HD2 HIS 33 2HD HIS 33 4.110 3.425 -1.148 222 HE1 HIS 33 1HE HIS 33 2.992 6.911 -3.317 223 H ILE 34 H ILE 34 5.287 1.724 1.294 224 HA ILE 34 HA ILE 34 7.901 1.056 1.158 225 HB ILE 34 HB ILE 34 5.382 -0.195 0.749 226 HG13 ILE 34 2HG1 ILE 34 6.867 -0.825 2.515 227 HG21 ILE 34 1HG2 ILE 34 7.451 -0.852 -1.352 228 HG22 ILE 34 2HG2 ILE 34 6.189 -2.002 -0.847 229 HG23 ILE 34 3HG2 ILE 34 5.733 -0.441 -1.569 230 HD11 ILE 34 3HD1 ILE 34 6.549 -3.104 2.388 231 HD12 ILE 34 1HD1 ILE 34 5.587 -2.652 0.959 232 HD13 ILE 34 2HD1 ILE 34 7.264 -3.218 0.762 233 HA PRO 35 HA PRO 35 9.382 2.197 -2.730 234 HB3 PRO 35 2HB PRO 35 11.554 1.698 -2.147 235 HG3 PRO 35 2HG PRO 35 11.764 0.155 -0.447 236 HD3 PRO 35 2HD PRO 35 9.735 0.424 0.601 237 H GLU 36 H GLU 36 6.992 0.492 -2.659 238 HA GLU 36 HA GLU 36 6.544 0.247 -5.269 239 HB3 GLU 36 2HB GLU 36 6.978 -2.586 -4.889 240 HG3 GLU 36 2HG GLU 36 8.578 -0.764 -6.714 241 HE2 GLU 36 HE GLU 36 6.405 -3.621 -7.218 242 H ALA 37 H ALA 37 4.479 0.803 -4.435 243 HA ALA 37 HA ALA 37 2.950 -1.493 -3.541 244 HB1 ALA 37 1HB ALA 37 2.842 -0.856 -1.392 245 HB2 ALA 37 2HB ALA 37 3.903 0.532 -1.735 246 HB3 ALA 37 3HB ALA 37 2.138 0.699 -1.897 247 H ASP 38 H ASP 38 0.502 -0.558 -3.235 248 HA ASP 38 HA ASP 38 -0.024 1.596 -5.019 249 HB3 ASP 38 2HB ASP 38 -1.482 0.236 -6.536 250 HD2 ASP 38 HD ASP 38 1.440 0.548 -8.330 251 H LEU 39 H LEU 39 -1.418 2.614 -3.541 252 HA LEU 39 HA LEU 39 -2.811 1.594 -1.516 253 HB3 LEU 39 2HB LEU 39 -4.194 3.616 -3.221 254 HG LEU 39 HG LEU 39 -4.779 3.012 -0.743 255 HD11 LEU 39 1HD1 LEU 39 -2.988 5.117 0.189 256 HD12 LEU 39 2HD1 LEU 39 -3.360 3.527 0.896 257 HD13 LEU 39 3HD1 LEU 39 -2.115 3.670 -0.367 258 HD21 LEU 39 3HD2 LEU 39 -4.832 5.772 -0.492 259 HD22 LEU 39 1HD2 LEU 39 -4.812 5.508 -2.252 260 HD23 LEU 39 2HD2 LEU 39 -6.075 4.749 -1.254 261 H ALA 40 H ALA 40 -4.364 0.094 -1.188 262 HA ALA 40 HA ALA 40 -6.571 -0.189 -2.915 263 HB1 ALA 40 1HB ALA 40 -5.061 -2.729 -3.025 264 HB2 ALA 40 2HB ALA 40 -5.998 -1.901 -4.290 265 HB3 ALA 40 3HB ALA 40 -4.325 -1.401 -3.952 266 HA PRO 41 HA PRO 41 -6.767 -1.787 1.349 267 HB3 PRO 41 2HB PRO 41 -6.769 0.176 2.552 268 HG3 PRO 41 2HG PRO 41 -6.951 2.088 1.274 269 HD3 PRO 41 2HD PRO 41 -6.134 1.317 -0.732 270 H LEU 42 H LEU 42 -8.712 -2.558 2.665 271 HA LEU 42 HA LEU 42 -10.198 -4.195 1.086 272 HB3 LEU 42 2HB LEU 42 -11.741 -4.356 3.004 273 HG LEU 42 HG LEU 42 -8.783 -4.367 3.574 274 HD11 LEU 42 1HD1 LEU 42 -10.932 -4.252 5.544 275 HD12 LEU 42 2HD1 LEU 42 -9.934 -5.718 5.699 276 HD13 LEU 42 3HD1 LEU 42 -9.170 -4.111 5.753 277 HD21 LEU 42 3HD2 LEU 42 -9.071 -6.767 3.670 278 HD22 LEU 42 1HD2 LEU 42 -10.833 -6.597 3.485 279 HD23 LEU 42 2HD2 LEU 42 -9.750 -6.138 2.149 280 H SER 43 H SER 43 -10.845 -0.782 1.997 281 HA SER 43 HA SER 43 -13.421 -0.595 1.182 282 HB3 SER 43 2HB SER 43 -11.977 1.190 2.276 283 HG SER 43 HG SER 43 -10.703 2.502 1.002 284 H VAL 44 H VAL 44 -10.439 0.024 -0.815 285 HA VAL 44 HA VAL 44 -11.957 0.266 -3.210 286 HB VAL 44 HB VAL 44 -8.995 -0.082 -2.702 287 HG11 VAL 44 1HG1 VAL 44 -10.271 1.050 -5.201 288 HG12 VAL 44 2HG1 VAL 44 -8.583 0.549 -4.941 289 HG13 VAL 44 3HG1 VAL 44 -9.872 -0.675 -5.035 290 HG21 VAL 44 3HG2 VAL 44 -10.799 2.329 -2.888 291 HG22 VAL 44 1HG2 VAL 44 -9.568 1.932 -1.664 292 HG23 VAL 44 2HG2 VAL 44 -9.069 2.443 -3.295 293 H LEU 45 H LEU 45 -10.097 -2.318 -1.547 294 HA LEU 45 HA LEU 45 -10.146 -4.130 -3.685 295 HB3 LEU 45 2HB LEU 45 -10.026 -5.706 -1.480 296 HG LEU 45 HG LEU 45 -7.792 -4.005 -2.614 297 HD11 LEU 45 1HD1 LEU 45 -7.552 -4.916 -0.173 298 HD12 LEU 45 2HD1 LEU 45 -7.290 -6.477 -0.989 299 HD13 LEU 45 3HD1 LEU 45 -6.217 -5.100 -1.337 300 HD21 LEU 45 3HD2 LEU 45 -8.781 -5.563 -4.210 301 HD22 LEU 45 1HD2 LEU 45 -7.132 -6.064 -3.764 302 HD23 LEU 45 2HD2 LEU 45 -8.538 -6.908 -3.070 303 H GLU 46 H GLU 46 -12.635 -2.903 -1.614 304 HA GLU 46 HA GLU 46 -14.275 -5.235 -2.179 305 HB3 GLU 46 2HB GLU 46 -15.868 -3.914 -0.531 306 HG3 GLU 46 2HG GLU 46 -13.732 -4.716 1.215 307 HE2 GLU 46 HE GLU 46 -14.853 -7.505 0.367 308 H GLN 47 H GLN 47 -14.549 -1.602 -2.096 309 HA GLN 47 HA GLN 47 -16.848 -1.587 -3.667 310 HB3 GLN 47 2HB GLN 47 -15.176 0.840 -3.846 311 HG3 GLN 47 2HG GLN 47 -17.517 1.017 -2.134 312 HE21 GLN 47 1HE2 GLN 47 -18.007 3.054 -2.330 313 HE22 GLN 47 2HE2 GLN 47 -17.838 4.051 -3.736 314 H SER 48 H SER 48 -13.340 -1.310 -4.421 315 HA SER 48 HA SER 48 -13.944 -0.899 -7.195 316 HB3 SER 48 2HB SER 48 -11.151 -1.513 -6.323 317 HG SER 48 HG SER 48 -12.510 0.322 -8.044 318 H GLY 49 H GLY 49 -12.222 -3.358 -5.139 319 HA2 GLY 49 1HA GLY 49 -12.467 -5.656 -5.355 320 HA3 GLY 49 2HA GLY 49 -13.129 -5.454 -6.964 321 H LEU 50 H LEU 50 -11.462 -7.311 -7.277 322 HA LEU 50 HA LEU 50 -8.804 -7.138 -7.106 323 HB3 LEU 50 2HB LEU 50 -10.514 -8.216 -9.340 324 HG LEU 50 HG LEU 50 -7.540 -8.423 -8.974 325 HD11 LEU 50 1HD1 LEU 50 -9.404 -10.652 -9.585 326 HD12 LEU 50 2HD1 LEU 50 -7.953 -10.510 -10.608 327 HD13 LEU 50 3HD1 LEU 50 -7.786 -10.669 -8.843 328 HD21 LEU 50 3HD2 LEU 50 -7.627 -7.284 -10.880 329 HD22 LEU 50 1HD2 LEU 50 -8.260 -8.759 -11.650 330 HD23 LEU 50 2HD2 LEU 50 -9.384 -7.528 -11.026 331 HA PRO 51 HA PRO 51 -8.123 -3.421 -9.388 332 HB3 PRO 51 2HB PRO 51 -7.314 -2.254 -7.575 333 HG3 PRO 51 2HG PRO 51 -6.833 -3.553 -5.731 334 HD3 PRO 51 2HD PRO 51 -8.212 -5.350 -6.126 335 H ALA 52 H ALA 52 -8.038 -4.958 -11.223 336 HA ALA 52 HA ALA 52 -5.682 -6.250 -11.871 337 HB1 ALA 52 1HB ALA 52 -8.217 -5.950 -12.943 338 HB2 ALA 52 2HB ALA 52 -7.187 -5.144 -14.151 339 HB3 ALA 52 3HB ALA 52 -6.875 -6.838 -13.703 340 H LYS 53 H LYS 53 -6.429 -2.855 -11.748 341 HA LYS 53 HA LYS 53 -4.665 -1.972 -13.754 342 HB3 LYS 53 2HB LYS 53 -6.344 -0.474 -13.081 343 HG3 LYS 53 2HG LYS 53 -5.486 -1.268 -10.305 344 HD3 LYS 53 2HD LYS 53 -6.274 1.498 -11.174 345 HE3 LYS 53 2HE LYS 53 -7.030 0.732 -8.382 346 HZ1 LYS 53 2HZ LYS 53 -7.595 2.893 -8.788 347 HZ3 LYS 53 1HZ LYS 53 -8.960 2.252 -9.405 348 H LEU 54 H LEU 54 -4.259 -3.100 -10.427 349 HA LEU 54 HA LEU 54 -1.389 -2.560 -10.724 350 HB3 LEU 54 2HB LEU 54 -1.177 -1.864 -8.529 351 HG LEU 54 HG LEU 54 -3.655 -0.715 -9.742 352 HD11 LEU 54 1HD1 LEU 54 -4.622 -0.328 -7.772 353 HD12 LEU 54 2HD1 LEU 54 -3.177 -0.835 -6.865 354 HD13 LEU 54 3HD1 LEU 54 -3.306 0.832 -7.476 355 HD21 LEU 54 3HD2 LEU 54 -0.857 -0.002 -9.411 356 HD22 LEU 54 1HD2 LEU 54 -2.083 0.652 -10.523 357 HD23 LEU 54 2HD2 LEU 54 -1.943 1.301 -8.871 358 H ARG 55 H ARG 55 -2.754 -4.891 -11.652 359 HA ARG 55 HA ARG 55 -1.787 -6.783 -9.663 360 HB3 ARG 55 2HB ARG 55 -3.837 -7.703 -11.653 361 HG3 ARG 55 2HG ARG 55 -2.904 -8.337 -8.903 362 HD3 ARG 55 2HD ARG 55 -5.748 -9.127 -9.448 363 HE ARG 55 HE ARG 55 -4.998 -9.901 -7.335 364 HH11 ARG 55 2HH2 ARG 55 -4.530 -6.400 -7.606 365 HH12 ARG 55 1HH2 ARG 55 -4.214 -6.186 -5.917 366 HH22 ARG 55 1HH ARG 55 -4.247 -8.093 -4.467 367 H HIS 56 H HIS 56 -1.221 -9.008 -10.768 368 HA HIS 56 HA HIS 56 -0.582 -8.879 -13.539 369 HB3 HIS 56 2HB HIS 56 1.929 -9.432 -12.225 370 HD1 HIS 56 1HD HIS 56 1.786 -9.778 -15.035 371 HD2 HIS 56 2HD HIS 56 2.052 -5.888 -13.487 372 HE1 HIS 56 1HE HIS 56 2.614 -8.304 -16.945 373 H GLU 57 H GLU 57 1.458 -10.940 -13.454 374 HA GLU 57 HA GLU 57 -0.122 -13.152 -13.369 375 HB3 GLU 57 2HB GLU 57 2.306 -14.282 -12.974 376 HG3 GLU 57 2HG GLU 57 1.706 -12.681 -15.498 377 HE2 GLU 57 HE GLU 57 1.913 -16.025 -15.428 378 H GLN 58 H GLN 58 1.278 -11.362 -10.727 379 HA GLN 58 HA GLN 58 -0.061 -12.937 -8.858 380 HB3 GLN 58 2HB GLN 58 1.875 -14.476 -9.304 381 HG3 GLN 58 2HG GLN 58 3.534 -12.272 -7.998 382 HE21 GLN 58 1HE2 GLN 58 4.192 -14.665 -10.496 383 HE22 GLN 58 2HE2 GLN 58 5.339 -15.619 -9.616 384 H ILE 59 H ILE 59 0.214 -12.048 -6.612 385 HA ILE 59 HA ILE 59 1.682 -9.542 -6.502 386 HB ILE 59 HB ILE 59 -0.236 -8.530 -7.163 387 HG13 ILE 59 2HG1 ILE 59 -1.207 -7.445 -5.323 388 HG21 ILE 59 1HG2 ILE 59 -1.530 -11.023 -6.264 389 HG22 ILE 59 2HG2 ILE 59 -2.515 -9.551 -6.079 390 HG23 ILE 59 3HG2 ILE 59 -1.862 -9.991 -7.676 391 HD11 ILE 59 3HD1 ILE 59 -1.228 -10.132 -4.170 392 HD12 ILE 59 1HD1 ILE 59 -0.552 -8.948 -3.025 393 HD13 ILE 59 2HD1 ILE 59 -2.179 -8.701 -3.705 394 H ILE 60 H ILE 60 2.163 -8.873 -4.325 395 HA ILE 60 HA ILE 60 1.341 -10.729 -2.240 396 HB ILE 60 HB ILE 60 4.247 -10.054 -2.500 397 HG13 ILE 60 2HG1 ILE 60 3.986 -11.048 -4.593 398 HG21 ILE 60 1HG2 ILE 60 4.587 -11.694 -0.931 399 HG22 ILE 60 2HG2 ILE 60 2.992 -11.082 -0.433 400 HG23 ILE 60 3HG2 ILE 60 3.113 -12.587 -1.375 401 HD11 ILE 60 3HD1 ILE 60 4.326 -13.473 -2.777 402 HD12 ILE 60 1HD1 ILE 60 4.985 -13.242 -4.415 403 HD13 ILE 60 2HD1 ILE 60 5.615 -12.278 -3.057 404 H PHE 61 H PHE 61 0.819 -9.650 -0.399 405 HA PHE 61 HA PHE 61 2.019 -7.018 -0.009 406 HB3 PHE 61 2HB PHE 61 -0.113 -6.471 -0.998 407 HD1 PHE 61 2HD PHE 61 -1.024 -8.893 1.708 408 HD2 PHE 61 1HD PHE 61 -1.800 -7.447 -2.206 409 HE1 PHE 61 2HE PHE 61 -2.882 -10.562 1.459 410 HE2 PHE 61 1HE PHE 61 -3.658 -9.116 -2.454 411 HZ PHE 61 HZ PHE 61 -4.177 -10.653 -0.619 412 H HIS 62 H HIS 62 0.702 -6.233 2.290 413 HA HIS 62 HA HIS 62 0.285 -8.281 4.136 414 HB3 HIS 62 2HB HIS 62 2.906 -6.961 4.728 415 HD1 HIS 62 1HD HIS 62 2.695 -7.500 7.217 416 HD2 HIS 62 2HD HIS 62 2.004 -10.815 4.742 417 HE1 HIS 62 1HE HIS 62 2.599 -9.532 8.756 418 H CYS 63 H CYS 63 -0.282 -7.414 6.248 419 HA CYS 63 HA CYS 63 -1.613 -5.055 6.171 420 HB3 CYS 63 2HB CYS 63 -2.056 -6.640 7.912 421 HG CYS 63 HG CYS 63 -0.083 -8.020 8.368 422 H GLN 64 H GLN 64 -1.031 -3.105 7.800 423 HA GLN 64 HA GLN 64 1.061 -1.758 6.681 424 HB3 GLN 64 2HB GLN 64 -0.382 -1.391 9.334 425 HG3 GLN 64 2HG GLN 64 0.838 1.030 8.290 426 HE21 GLN 64 1HE2 GLN 64 1.726 2.246 9.979 427 HE22 GLN 64 2HE2 GLN 64 1.451 1.862 11.646 428 H ALA 65 H ALA 65 1.097 -2.416 10.232 429 HA ALA 65 HA ALA 65 3.694 -3.697 9.959 430 HB1 ALA 65 1HB ALA 65 4.909 -2.019 10.865 431 HB2 ALA 65 2HB ALA 65 3.541 -0.970 10.422 432 HB3 ALA 65 3HB ALA 65 3.653 -1.641 12.068 433 H GLY 66 H GLY 66 1.740 -5.297 10.480 434 HA2 GLY 66 1HA GLY 66 1.839 -5.695 13.387 435 HA3 GLY 66 2HA GLY 66 0.274 -5.611 12.605 436 H LYS 67 H LYS 67 -0.444 -7.731 12.744 437 HA LYS 67 HA LYS 67 0.865 -9.611 11.016 438 HB3 LYS 67 2HB LYS 67 2.198 -9.955 13.013 439 HG3 LYS 67 2HG LYS 67 -0.391 -9.619 14.341 440 HD3 LYS 67 2HD LYS 67 1.142 -12.194 14.747 441 HE3 LYS 67 2HE LYS 67 -0.661 -11.526 16.966 442 HZ1 LYS 67 2HZ LYS 67 1.956 -11.983 17.779 443 HZ3 LYS 67 1HZ LYS 67 1.742 -12.941 16.480 444 H ARG 68 H ARG 68 -0.511 -11.929 11.873 445 HA ARG 68 HA ARG 68 -2.430 -12.920 11.784 446 HB3 ARG 68 2HB ARG 68 -4.430 -10.924 12.285 447 HG3 ARG 68 2HG ARG 68 -3.352 -13.340 13.489 448 HD3 ARG 68 2HD ARG 68 -3.329 -10.957 15.204 449 HE ARG 68 HE ARG 68 -5.668 -12.275 15.611 450 HH11 ARG 68 2HH2 ARG 68 -2.658 -12.329 17.477 451 HH12 ARG 68 1HH2 ARG 68 -3.451 -12.661 18.980 452 HH22 ARG 68 1HH ARG 68 -5.837 -12.881 19.026 453 H THR 69 H THR 69 -2.036 -13.006 9.412 454 HA THR 69 HA THR 69 -3.935 -11.299 7.940 455 HB THR 69 HB THR 69 -1.193 -12.375 7.094 456 HG1 THR 69 1HG THR 69 -1.291 -10.519 8.607 457 HG21 THR 69 3HG2 THR 69 -2.923 -10.315 5.659 458 HG22 THR 69 1HG2 THR 69 -1.490 -11.171 5.042 459 HG23 THR 69 2HG2 THR 69 -3.024 -12.045 5.252 460 H SER 70 H SER 70 -2.417 -14.527 8.321 461 HA SER 70 HA SER 70 -3.890 -15.686 6.252 462 HB3 SER 70 2HB SER 70 -2.577 -16.915 8.716 463 HG SER 70 HG SER 70 -3.103 -18.299 6.255 464 H ASN 71 H ASN 71 -4.783 -14.520 9.361 465 HA ASN 71 HA ASN 71 -6.519 -16.304 10.350 466 HB3 ASN 71 2HB ASN 71 -7.203 -13.335 10.112 467 HD21 ASN 71 1HD2 ASN 71 -6.648 -15.955 12.467 468 HD22 ASN 71 2HD2 ASN 71 -8.142 -15.795 13.330 469 H ASN 72 H ASN 72 -7.000 -13.929 7.662 470 HA ASN 72 HA ASN 72 -9.151 -15.563 6.694 471 HB3 ASN 72 2HB ASN 72 -10.750 -13.698 6.502 472 HD21 ASN 72 1HD2 ASN 72 -9.288 -12.287 9.240 473 HD22 ASN 72 2HD2 ASN 72 -10.139 -13.135 10.487 474 H ALA 73 H ALA 73 -6.655 -15.395 5.567 475 HA ALA 73 HA ALA 73 -6.533 -13.186 3.714 476 HB1 ALA 73 1HB ALA 73 -4.793 -15.545 4.444 477 HB2 ALA 73 2HB ALA 73 -4.484 -14.626 2.951 478 HB3 ALA 73 3HB ALA 73 -4.428 -13.805 4.531 479 H ASP 74 H ASP 74 -8.137 -16.197 3.927 480 HA ASP 74 HA ASP 74 -7.845 -17.122 1.335 481 HB3 ASP 74 2HB ASP 74 -10.495 -17.431 2.721 482 HD2 ASP 74 HD ASP 74 -10.340 -20.132 3.151 483 H LYS 75 H LYS 75 -10.427 -15.105 2.938 484 HA LYS 75 HA LYS 75 -12.057 -14.717 0.774 485 HB3 LYS 75 2HB LYS 75 -11.806 -12.329 2.432 486 HG3 LYS 75 2HG LYS 75 -13.840 -13.248 1.138 487 HD3 LYS 75 2HD LYS 75 -14.367 -14.915 3.599 488 HE3 LYS 75 2HE LYS 75 -15.530 -16.278 1.676 489 HZ1 LYS 75 2HZ LYS 75 -17.163 -14.090 1.660 490 HZ3 LYS 75 1HZ LYS 75 -16.341 -13.897 3.053 491 H LEU 76 H LEU 76 -9.106 -12.871 1.748 492 HA LEU 76 HA LEU 76 -9.316 -11.036 -0.385 493 HB3 LEU 76 2HB LEU 76 -7.069 -10.384 0.248 494 HG LEU 76 HG LEU 76 -8.875 -10.973 2.600 495 HD11 LEU 76 1HD1 LEU 76 -7.158 -10.685 3.981 496 HD12 LEU 76 2HD1 LEU 76 -6.062 -10.269 2.642 497 HD13 LEU 76 3HD1 LEU 76 -7.062 -9.005 3.399 498 HD21 LEU 76 3HD2 LEU 76 -8.450 -8.208 2.206 499 HD22 LEU 76 1HD2 LEU 76 -8.762 -8.915 0.602 500 HD23 LEU 76 2HD2 LEU 76 -9.932 -9.149 1.921 501 H ALA 77 H ALA 77 -7.514 -14.128 0.107 502 HA ALA 77 HA ALA 77 -6.059 -14.097 -2.231 503 HB1 ALA 77 1HB ALA 77 -7.062 -16.118 -0.291 504 HB2 ALA 77 2HB ALA 77 -6.585 -16.743 -1.888 505 HB3 ALA 77 3HB ALA 77 -5.415 -15.837 -0.900 506 H ALA 78 H ALA 78 -9.505 -14.356 -1.730 507 HA ALA 78 HA ALA 78 -9.842 -15.372 -4.460 508 HB1 ALA 78 1HB ALA 78 -11.142 -16.732 -3.107 509 HB2 ALA 78 2HB ALA 78 -11.472 -15.435 -1.934 510 HB3 ALA 78 3HB ALA 78 -12.321 -15.456 -3.499 511 H ILE 79 H ILE 79 -10.307 -12.618 -2.264 512 HA ILE 79 HA ILE 79 -12.146 -11.197 -3.806 513 HB ILE 79 HB ILE 79 -11.038 -10.904 -1.377 514 HG13 ILE 79 2HG1 ILE 79 -13.128 -9.951 -1.810 515 HG21 ILE 79 1HG2 ILE 79 -8.901 -10.099 -2.453 516 HG22 ILE 79 2HG2 ILE 79 -9.795 -8.646 -2.960 517 HG23 ILE 79 3HG2 ILE 79 -9.608 -9.017 -1.229 518 HD11 ILE 79 3HD1 ILE 79 -11.375 -8.519 -0.390 519 HD12 ILE 79 1HD1 ILE 79 -11.571 -7.372 -1.737 520 HD13 ILE 79 2HD1 ILE 79 -12.986 -7.867 -0.778 521 H ALA 80 H ALA 80 -8.875 -12.090 -4.428 522 HA ALA 80 HA ALA 80 -8.814 -10.130 -6.615 523 HB1 ALA 80 1HB ALA 80 -6.970 -9.225 -5.710 524 HB2 ALA 80 2HB ALA 80 -7.007 -10.402 -4.375 525 HB3 ALA 80 3HB ALA 80 -6.149 -10.795 -5.884 526 H ALA 81 H ALA 81 -9.958 -12.763 -6.701 527 HA ALA 81 HA ALA 81 -7.880 -14.339 -8.021 528 HB1 ALA 81 1HB ALA 81 -8.908 -15.992 -6.896 529 HB2 ALA 81 2HB ALA 81 -10.217 -14.899 -6.389 530 HB3 ALA 81 3HB ALA 81 -10.323 -15.753 -7.948 531 HA PRO 82 HA PRO 82 -8.630 -16.269 -9.081 532 HB3 PRO 82 2HB PRO 82 -9.273 -17.645 -10.812 533 HG3 PRO 82 2HG PRO 82 -10.010 -16.539 -12.697 534 HD3 PRO 82 2HD PRO 82 -10.675 -14.545 -11.767 535 H ALA 83 H ALA 83 -7.349 -13.500 -10.164 536 HA ALA 83 HA ALA 83 -4.786 -13.828 -10.781 537 HB1 ALA 83 1HB ALA 83 -6.387 -11.798 -9.703 538 HB2 ALA 83 2HB ALA 83 -5.026 -11.936 -8.563 539 HB3 ALA 83 3HB ALA 83 -4.712 -11.630 -10.288 540 H GLU 84 H GLU 84 -2.781 -14.259 -9.746 541 HA GLU 84 HA GLU 84 -3.069 -16.074 -7.564 542 HB3 GLU 84 2HB GLU 84 -0.479 -16.170 -7.871 543 HG3 GLU 84 2HG GLU 84 -1.293 -16.998 -10.483 544 HE2 GLU 84 HE GLU 84 0.924 -18.094 -8.853 545 H ILE 85 H ILE 85 -3.022 -15.477 -5.444 546 HA ILE 85 HA ILE 85 -1.674 -12.944 -4.821 547 HB ILE 85 HB ILE 85 -3.952 -14.343 -3.416 548 HG13 ILE 85 2HG1 ILE 85 -5.401 -12.748 -4.303 549 HG21 ILE 85 1HG2 ILE 85 -2.609 -13.256 -1.762 550 HG22 ILE 85 2HG2 ILE 85 -2.474 -11.784 -2.754 551 HG23 ILE 85 3HG2 ILE 85 -4.044 -12.246 -2.055 552 HD11 ILE 85 3HD1 ILE 85 -4.533 -10.616 -4.145 553 HD12 ILE 85 1HD1 ILE 85 -2.898 -11.134 -4.626 554 HD13 ILE 85 2HD1 ILE 85 -4.159 -10.902 -5.861 555 H PHE 86 H PHE 86 -0.717 -12.890 -2.538 556 HA PHE 86 HA PHE 86 0.007 -15.411 -1.418 557 HB3 PHE 86 2HB PHE 86 2.541 -14.708 -1.793 558 HD1 PHE 86 1HD PHE 86 0.763 -17.077 -2.186 559 HD2 PHE 86 2HD PHE 86 2.763 -14.610 -5.000 560 HE1 PHE 86 1HE PHE 86 0.815 -18.983 -3.821 561 HE2 PHE 86 2HE PHE 86 2.814 -16.514 -6.634 562 HZ PHE 86 HZ PHE 86 1.839 -18.678 -6.026 563 H LEU 87 H LEU 87 1.911 -14.921 0.315 564 HA LEU 87 HA LEU 87 1.217 -12.339 1.534 565 HB3 LEU 87 2HB LEU 87 1.303 -13.361 3.691 566 HG LEU 87 HG LEU 87 -0.335 -15.127 1.849 567 HD11 LEU 87 1HD1 LEU 87 -1.547 -15.879 3.763 568 HD12 LEU 87 2HD1 LEU 87 0.185 -16.149 4.078 569 HD13 LEU 87 3HD1 LEU 87 -0.655 -14.776 4.838 570 HD21 LEU 87 3HD2 LEU 87 -1.595 -13.060 3.568 571 HD22 LEU 87 1HD2 LEU 87 -0.671 -12.482 2.161 572 HD23 LEU 87 2HD2 LEU 87 -2.022 -13.620 1.934 573 H LEU 88 H LEU 88 2.930 -11.325 2.811 574 HA LEU 88 HA LEU 88 5.582 -12.268 1.967 575 HB3 LEU 88 2HB LEU 88 4.652 -9.418 2.347 576 HG LEU 88 HG LEU 88 7.318 -10.607 1.720 577 HD11 LEU 88 1HD1 LEU 88 6.601 -7.919 0.564 578 HD12 LEU 88 2HD1 LEU 88 8.017 -8.946 0.239 579 HD13 LEU 88 3HD1 LEU 88 6.415 -9.419 -0.376 580 HD21 LEU 88 3HD2 LEU 88 6.175 -8.474 3.422 581 HD22 LEU 88 1HD2 LEU 88 7.543 -9.576 3.710 582 HD23 LEU 88 2HD2 LEU 88 7.766 -8.126 2.702 583 H GLU 89 H GLU 89 6.500 -13.245 3.698 584 HA GLU 89 HA GLU 89 5.773 -13.156 6.232 585 HB3 GLU 89 2HB GLU 89 8.723 -13.023 5.956 586 HG3 GLU 89 2HG GLU 89 7.736 -15.645 6.518 587 HE2 GLU 89 HE GLU 89 9.719 -15.274 9.361 588 H ASP 90 H ASP 90 5.308 -11.486 7.593 589 HA ASP 90 HA ASP 90 5.503 -9.651 8.732 590 HB3 ASP 90 2HB ASP 90 7.720 -8.589 9.075 591 HD2 ASP 90 HD ASP 90 9.717 -10.921 8.536 592 H GLY 91 H GLY 91 5.011 -7.417 8.313 593 HA2 GLY 91 1HA GLY 91 4.850 -6.680 5.527 594 HA3 GLY 91 2HA GLY 91 4.242 -5.794 6.912 595 H ILE 92 H ILE 92 5.540 -4.221 7.957 596 HA ILE 92 HA ILE 92 7.369 -2.881 6.421 597 HB ILE 92 HB ILE 92 6.099 -2.064 8.409 598 HG13 ILE 92 2HG1 ILE 92 9.069 -1.489 8.240 599 HG21 ILE 92 1HG2 ILE 92 6.764 -3.992 9.888 600 HG22 ILE 92 2HG2 ILE 92 8.363 -3.226 10.042 601 HG23 ILE 92 3HG2 ILE 92 6.910 -2.376 10.620 602 HD11 ILE 92 3HD1 ILE 92 8.445 -0.495 6.299 603 HD12 ILE 92 1HD1 ILE 92 6.724 -0.808 6.623 604 HD13 ILE 92 2HD1 ILE 92 7.503 0.649 7.285 605 H ASP 93 H ASP 93 7.913 -5.441 8.903 606 HA ASP 93 HA ASP 93 10.627 -5.277 9.021 607 HB3 ASP 93 2HB ASP 93 9.642 -8.059 8.953 608 HD2 ASP 93 HD ASP 93 9.172 -6.848 11.864 609 H GLY 94 H GLY 94 8.526 -6.253 6.404 610 HA2 GLY 94 1HA GLY 94 10.109 -8.134 5.055 611 HA3 GLY 94 2HA GLY 94 8.885 -7.095 4.352 612 H TRP 95 H TRP 95 9.533 -4.767 3.865 613 HA TRP 95 HA TRP 95 11.842 -4.746 2.304 614 HB3 TRP 95 2HB TRP 95 9.991 -2.600 3.315 615 HD1 TRP 95 HD TRP 95 10.826 -0.138 3.128 616 HE1 TRP 95 1HE TRP 95 12.766 1.215 1.956 617 HE3 TRP 95 3HE TRP 95 12.818 -4.111 0.655 618 HZ2 TRP 95 2HZ TRP 95 14.868 0.489 0.168 619 HZ3 TRP 95 3HZ TRP 95 14.812 -3.702 -0.783 620 HH2 TRP 95 HH TRP 95 15.835 -1.498 -1.047 621 H LYS 96 H LYS 96 11.256 -4.266 5.731 622 HA LYS 96 HA LYS 96 13.750 -2.845 6.111 623 HB3 LYS 96 2HB LYS 96 11.955 -3.876 8.301 624 HG3 LYS 96 2HG LYS 96 13.403 -1.216 8.078 625 HD3 LYS 96 2HD LYS 96 12.252 -2.944 10.287 626 HE3 LYS 96 2HE LYS 96 14.622 -1.092 10.418 627 HZ1 LYS 96 2HZ LYS 96 12.969 -1.352 12.819 628 HZ3 LYS 96 1HZ LYS 96 12.502 -0.236 11.729 629 H LYS 97 H LYS 97 12.957 -5.965 5.370 630 HA LYS 97 HA LYS 97 14.219 -7.497 7.303 631 HB3 LYS 97 2HB LYS 97 13.979 -7.999 4.321 632 HG3 LYS 97 2HG LYS 97 15.571 -9.465 5.813 633 HD3 LYS 97 2HD LYS 97 12.799 -10.347 6.748 634 HE3 LYS 97 2HE LYS 97 14.802 -12.095 6.092 635 HZ1 LYS 97 2HZ LYS 97 15.220 -11.481 8.966 636 HZ3 LYS 97 1HZ LYS 97 16.264 -11.034 7.799 637 H ALA 98 H ALA 98 15.503 -5.193 5.041 638 HA ALA 98 HA ALA 98 18.201 -6.149 5.708 639 HB1 ALA 98 1HB ALA 98 16.959 -5.913 3.135 640 HB2 ALA 98 2HB ALA 98 18.217 -4.660 3.260 641 HB3 ALA 98 3HB ALA 98 18.637 -6.370 3.518 642 H GLY 99 H GLY 99 16.359 -4.244 7.096 643 HA2 GLY 99 1HA GLY 99 16.445 -2.212 8.049 644 HA3 GLY 99 2HA GLY 99 18.162 -2.224 7.703 645 H LEU 100 H LEU 100 15.438 -2.320 5.330 646 HA LEU 100 HA LEU 100 16.495 0.190 4.240 647 HB3 LEU 100 2HB LEU 100 15.839 -0.503 2.122 648 HG LEU 100 HG LEU 100 17.361 -2.401 3.623 649 HD11 LEU 100 1HD1 LEU 100 16.800 -4.331 1.893 650 HD12 LEU 100 2HD1 LEU 100 15.953 -4.185 3.450 651 HD13 LEU 100 3HD1 LEU 100 15.186 -3.586 1.960 652 HD21 LEU 100 3HD2 LEU 100 17.712 -0.887 1.421 653 HD22 LEU 100 1HD2 LEU 100 18.747 -2.273 1.845 654 HD23 LEU 100 2HD2 LEU 100 17.432 -2.472 0.661 655 HA PRO 101 HA PRO 101 12.724 1.807 5.754 656 HB3 PRO 101 2HB PRO 101 13.774 3.570 6.797 657 HG3 PRO 101 2HG PRO 101 15.955 3.923 6.132 658 HD3 PRO 101 2HD PRO 101 16.494 1.820 5.374 659 H VAL 102 H VAL 102 10.762 2.723 5.001 660 HA VAL 102 HA VAL 102 10.554 2.338 2.162 661 HB VAL 102 HB VAL 102 8.188 2.662 2.539 662 HG11 VAL 102 1HG1 VAL 102 8.856 0.448 2.974 663 HG12 VAL 102 2HG1 VAL 102 9.640 0.890 4.510 664 HG13 VAL 102 3HG1 VAL 102 7.865 0.897 4.381 665 HG21 VAL 102 3HG2 VAL 102 9.056 3.607 5.278 666 HG22 VAL 102 1HG2 VAL 102 8.040 4.445 4.079 667 HG23 VAL 102 2HG2 VAL 102 7.404 3.028 4.951 668 H ALA 103 H ALA 103 8.993 4.123 1.046 669 HA ALA 103 HA ALA 103 10.601 6.502 1.058 670 HB1 ALA 103 1HB ALA 103 9.753 5.429 -1.020 671 HB2 ALA 103 2HB ALA 103 8.086 5.774 -0.501 672 HB3 ALA 103 3HB ALA 103 9.202 7.114 -0.862 673 H VAL 104 H VAL 104 10.137 7.093 3.349 674 HA VAL 104 HA VAL 104 7.425 7.930 3.895 675 HB VAL 104 HB VAL 104 9.085 6.790 5.491 676 HG11 VAL 104 1HG1 VAL 104 10.054 9.312 6.542 677 HG12 VAL 104 2HG1 VAL 104 10.953 7.834 6.124 678 HG13 VAL 104 3HG1 VAL 104 10.623 9.059 4.875 679 HG21 VAL 104 3HG2 VAL 104 8.220 8.927 7.162 680 HG22 VAL 104 1HG2 VAL 104 6.990 8.703 5.897 681 HG23 VAL 104 2HG2 VAL 104 7.470 7.332 6.926 682 H ASN 105 H ASN 105 8.617 10.207 5.606 683 HA ASN 105 HA ASN 105 8.082 12.211 3.766 684 HB3 ASN 105 2HB ASN 105 7.815 12.437 6.255 685 HD21 ASN 105 1HD2 ASN 105 8.628 11.243 7.827 686 HD22 ASN 105 2HD2 ASN 105 10.263 11.262 8.397 687 H LYS 106 H LYS 106 9.752 14.114 3.386 688 HA LYS 106 HA LYS 106 11.556 14.692 2.217 689 HB3 LYS 106 2HB LYS 106 13.563 13.461 3.893 690 HG3 LYS 106 2HG LYS 106 12.439 16.226 3.361 691 HD3 LYS 106 2HD LYS 106 14.253 15.347 5.616 692 HE3 LYS 106 2HE LYS 106 14.431 18.205 5.161 693 HZ1 LYS 106 2HZ LYS 106 16.657 16.293 4.887 694 HZ3 LYS 106 1HZ LYS 106 15.967 16.503 6.346 695 H SER 107 H SER 107 11.219 13.519 0.283 696 HA SER 107 HA SER 107 13.274 11.684 -0.258 697 HB3 SER 107 2HB SER 107 10.460 10.532 -0.423 698 HG SER 107 HG SER 107 11.436 8.822 -1.273 699 H GLN 108 H GLN 108 13.714 11.741 -2.478 700 HA GLN 108 HA GLN 108 12.792 13.685 -4.023 701 HB3 GLN 108 2HB GLN 108 14.701 12.231 -4.602 702 HG3 GLN 108 2HG GLN 108 13.283 10.077 -4.044 703 HE21 GLN 108 1HE2 GLN 108 12.488 8.197 -5.264 704 HE22 GLN 108 2HE2 GLN 108 11.373 8.444 -6.566
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:12:55 AM GMT (wattos1)