NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12617 | 1t6w | 6201 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 4.898 13.410 -12.149 2 2H ARG 1 2H ARG 1 5.336 11.782 -11.828 3 3H ARG 1 3H ARG 1 5.286 12.357 -13.444 4 HA ARG 1 HA ARG 1 7.498 12.316 -12.936 5 1HB ARG 1 2HB ARG 1 6.129 14.949 -12.790 6 2HB ARG 1 1HB ARG 1 7.844 14.926 -12.403 7 1HG ARG 1 2HG ARG 1 7.061 13.500 -14.858 8 2HG ARG 1 1HG ARG 1 6.874 15.254 -14.883 9 1HD ARG 1 2HD ARG 1 9.056 14.760 -15.699 10 2HD ARG 1 1HD ARG 1 9.238 15.429 -14.078 11 HE ARG 1 HE ARG 1 9.121 12.564 -14.112 12 1HH1 ARG 1 1HH1 ARG 1 11.219 15.328 -14.482 13 2HH1 ARG 1 2HH1 ARG 1 12.651 14.456 -14.052 14 1HH2 ARG 1 1HH2 ARG 1 11.004 11.415 -13.543 15 2HH2 ARG 1 2HH2 ARG 1 12.529 12.234 -13.518 16 H ASP 2 H ASP 2 5.553 13.440 -10.256 17 HA ASP 2 HA ASP 2 7.875 13.352 -8.469 18 1HB ASP 2 2HB ASP 2 5.988 15.231 -8.576 19 2HB ASP 2 1HB ASP 2 5.169 14.120 -7.482 20 H SER 3 H SER 3 7.988 11.012 -8.627 21 HA SER 3 HA SER 3 5.816 9.457 -7.526 22 1HB SER 3 2HB SER 3 8.451 8.869 -8.779 23 2HB SER 3 1HB SER 3 7.791 7.659 -7.680 24 HG SER 3 HG SER 3 6.314 8.781 -9.821 25 H GLY 4 H GLY 4 9.264 9.360 -6.657 26 1HA GLY 4 2HA GLY 4 9.714 10.262 -4.310 27 2HA GLY 4 1HA GLY 4 8.434 9.156 -3.834 28 H THR 5 H THR 5 11.045 9.090 -2.794 29 HA THR 5 HA THR 5 11.832 6.390 -3.625 30 HB THR 5 HB THR 5 13.903 8.507 -3.073 31 HG1 THR 5 1HG THR 5 12.731 7.792 -5.547 32 1HG2 THR 5 1HG2 THR 5 15.212 6.712 -3.114 33 2HG2 THR 5 2HG2 THR 5 14.944 6.723 -4.858 34 3HG2 THR 5 3HG2 THR 5 13.954 5.697 -3.819 35 H VAL 6 H VAL 6 12.996 5.227 -2.074 36 HA VAL 6 HA VAL 6 13.156 6.314 0.616 37 HB VAL 6 HB VAL 6 10.858 5.099 0.012 38 1HG1 VAL 6 1HG1 VAL 6 10.808 2.842 0.276 39 2HG1 VAL 6 2HG1 VAL 6 12.384 2.793 1.068 40 3HG1 VAL 6 3HG1 VAL 6 12.275 3.114 -0.663 41 1HG2 VAL 6 1HG2 VAL 6 10.748 4.342 2.429 42 2HG2 VAL 6 2HG2 VAL 6 11.166 6.035 2.173 43 3HG2 VAL 6 3HG2 VAL 6 12.425 4.866 2.575 44 H TRP 7 H TRP 7 14.563 5.138 1.976 45 HA TRP 7 HA TRP 7 16.141 3.084 0.576 46 1HB TRP 7 2HB TRP 7 17.097 5.109 2.611 47 2HB TRP 7 1HB TRP 7 18.093 3.859 1.868 48 HD1 TRP 7 HD TRP 7 16.287 7.142 1.005 49 HE1 TRP 7 1HE TRP 7 17.303 8.085 -1.164 50 HE3 TRP 7 3HE TRP 7 19.351 3.237 -0.214 51 HZ2 TRP 7 2HZ TRP 7 19.167 7.279 -3.129 52 HZ3 TRP 7 3HZ TRP 7 20.718 3.401 -2.254 53 HH2 TRP 7 HH TRP 7 20.625 5.380 -3.681 54 H GLY 8 H GLY 8 16.386 1.167 1.517 55 1HA GLY 8 2HA GLY 8 15.873 0.919 4.405 56 2HA GLY 8 1HA GLY 8 14.865 -0.028 3.328 57 H ALA 9 H ALA 9 16.023 -1.618 4.942 58 HA ALA 9 HA ALA 9 18.391 -2.644 3.520 59 1HB ALA 9 1HB ALA 9 19.298 -3.429 5.655 60 2HB ALA 9 2HB ALA 9 17.965 -2.644 6.503 61 3HB ALA 9 3HB ALA 9 19.137 -1.673 5.610 62 H LEU 10 H LEU 10 18.359 -4.739 2.992 63 HA LEU 10 HA LEU 10 15.982 -6.208 3.024 64 1HB LEU 10 2HB LEU 10 18.420 -6.480 1.824 65 2HB LEU 10 1HB LEU 10 18.455 -7.804 2.971 66 HG LEU 10 HG LEU 10 16.139 -8.428 1.973 67 1HD1 LEU 10 1HD1 LEU 10 16.448 -7.745 -0.609 68 2HD1 LEU 10 2HD1 LEU 10 17.076 -6.293 0.170 69 3HD1 LEU 10 3HD1 LEU 10 15.440 -6.847 0.525 70 1HD2 LEU 10 1HD2 LEU 10 18.411 -8.811 0.077 71 2HD2 LEU 10 2HD2 LEU 10 17.175 -9.957 0.596 72 3HD2 LEU 10 3HD2 LEU 10 18.479 -9.508 1.695 73 H GLY 11 H GLY 11 15.022 -7.500 4.449 74 1HA GLY 11 2HA GLY 11 14.898 -9.044 6.216 75 2HA GLY 11 1HA GLY 11 16.558 -8.655 6.644 76 H HIS 12 H HIS 12 15.307 -5.706 6.243 77 HA HIS 12 HA HIS 12 14.511 -5.525 9.063 78 1HB HIS 12 2HB HIS 12 16.264 -4.082 9.021 79 2HB HIS 12 1HB HIS 12 16.182 -3.879 7.277 80 HD1 HIS 12 1HD HIS 12 14.769 -1.970 6.371 81 HD2 HIS 12 2HD HIS 12 14.880 -2.154 10.515 82 HE1 HIS 12 1HE HIS 12 13.909 0.265 7.166 83 HE2 HIS 12 2HE HIS 12 14.075 0.160 9.680 84 H GLY 13 H GLY 13 12.954 -3.664 9.496 85 1HA GLY 13 2HA GLY 13 10.582 -4.127 7.969 86 2HA GLY 13 1HA GLY 13 10.764 -2.962 9.274 87 H ILE 14 H ILE 14 9.253 -1.866 7.655 88 HA ILE 14 HA ILE 14 10.285 0.428 6.676 89 HB ILE 14 HB ILE 14 11.695 -0.889 5.142 90 1HG1 ILE 14 2HG1 ILE 14 10.455 0.212 2.963 91 2HG1 ILE 14 1HG1 ILE 14 9.775 1.152 4.287 92 1HG2 ILE 14 1HG2 ILE 14 9.057 -1.907 4.180 93 2HG2 ILE 14 2HG2 ILE 14 10.487 -2.817 4.664 94 3HG2 ILE 14 3HG2 ILE 14 10.483 -1.920 3.145 95 1HD1 ILE 14 1HD1 ILE 14 12.712 0.732 4.233 96 2HD1 ILE 14 2HD1 ILE 14 11.771 2.107 4.816 97 3HD1 ILE 14 3HD1 ILE 14 11.999 1.866 3.083 98 H ASP 15 H ASP 15 8.654 1.755 6.059 99 HA ASP 15 HA ASP 15 6.073 0.486 5.412 100 1HB ASP 15 2HB ASP 15 6.512 1.751 7.711 101 2HB ASP 15 1HB ASP 15 6.149 3.162 6.723 102 H LEU 16 H LEU 16 5.287 0.982 3.491 103 HA LEU 16 HA LEU 16 6.444 3.081 1.890 104 1HB LEU 16 2HB LEU 16 4.815 0.729 1.476 105 2HB LEU 16 1HB LEU 16 4.102 2.094 0.656 106 HG LEU 16 HG LEU 16 5.502 1.858 -1.052 107 1HD1 LEU 16 1HD1 LEU 16 7.169 3.227 0.031 108 2HD1 LEU 16 2HD1 LEU 16 7.943 1.913 -0.852 109 3HD1 LEU 16 3HD1 LEU 16 7.794 1.824 0.903 110 1HD2 LEU 16 1HD2 LEU 16 6.586 -0.474 0.511 111 2HD2 LEU 16 2HD2 LEU 16 6.869 -0.179 -1.205 112 3HD2 LEU 16 3HD2 LEU 16 5.236 -0.497 -0.622 113 H ASP 17 H ASP 17 5.899 5.115 2.504 114 HA ASP 17 HA ASP 17 3.201 5.683 3.400 115 1HB ASP 17 2HB ASP 17 5.610 7.483 3.125 116 2HB ASP 17 1HB ASP 17 4.059 7.965 3.809 117 H ILE 18 H ILE 18 1.631 6.321 2.154 118 HA ILE 18 HA ILE 18 2.037 6.991 -0.613 119 HB ILE 18 HB ILE 18 -0.480 7.012 1.045 120 1HG1 ILE 18 2HG1 ILE 18 0.960 4.880 -0.465 121 2HG1 ILE 18 1HG1 ILE 18 0.149 4.782 1.086 122 1HG2 ILE 18 1HG2 ILE 18 -1.720 7.120 -0.948 123 2HG2 ILE 18 2HG2 ILE 18 -0.299 6.812 -1.946 124 3HG2 ILE 18 3HG2 ILE 18 -0.472 8.355 -1.110 125 1HD1 ILE 18 1HD1 ILE 18 -2.020 5.051 -0.145 126 2HD1 ILE 18 2HD1 ILE 18 -1.157 3.535 -0.401 127 3HD1 ILE 18 3HD1 ILE 18 -1.099 4.801 -1.628 128 HA PRO 19 HA PRO 19 2.503 11.382 0.267 129 1HB PRO 19 2HB PRO 19 2.042 11.605 -2.652 130 2HB PRO 19 1HB PRO 19 3.380 12.215 -1.674 131 1HG PRO 19 2HG PRO 19 3.714 10.112 -3.276 132 2HG PRO 19 1HG PRO 19 4.489 10.177 -1.681 133 1HD PRO 19 2HD PRO 19 2.046 8.678 -2.542 134 2HD PRO 19 1HD PRO 19 3.363 8.161 -1.471 135 H ASN 20 H ASN 20 1.024 12.779 0.890 136 HA ASN 20 HA ASN 20 -1.036 13.665 1.329 137 1HB ASN 20 2HB ASN 20 -0.655 13.894 -1.633 138 2HB ASN 20 1HB ASN 20 -2.129 14.502 -0.885 139 1HD2 ASN 20 1HD2 ASN 20 -1.396 15.639 1.369 140 2HD2 ASN 20 2HD2 ASN 20 -0.256 16.910 1.110 141 H PHE 21 H PHE 21 -1.686 11.305 1.948 142 HA PHE 21 HA PHE 21 -4.223 10.789 0.623 143 1HB PHE 21 2HB PHE 21 -3.035 9.151 -0.475 144 2HB PHE 21 1HB PHE 21 -1.932 8.891 0.866 145 HD1 PHE 21 1HD PHE 21 -2.150 6.979 2.073 146 HD2 PHE 21 2HD PHE 21 -5.535 8.493 0.015 147 HE1 PHE 21 1HE PHE 21 -3.442 5.005 2.779 148 HE2 PHE 21 2HE PHE 21 -6.847 6.527 0.721 149 HZ PHE 21 HZ PHE 21 -5.799 4.779 2.100 150 H GLN 22 H GLN 22 -5.779 9.798 1.959 151 HA GLN 22 HA GLN 22 -5.048 9.304 4.745 152 1HB GLN 22 2HB GLN 22 -6.036 11.743 4.079 153 2HB GLN 22 1HB GLN 22 -7.529 10.871 4.402 154 1HG GLN 22 2HG GLN 22 -6.955 10.471 6.627 155 2HG GLN 22 1HG GLN 22 -5.253 10.834 6.346 156 1HE2 GLN 22 1HE2 GLN 22 -6.005 12.097 8.389 157 2HE2 GLN 22 2HE2 GLN 22 -6.440 13.743 8.102 158 H MET 23 H MET 23 -5.628 7.219 4.869 159 HA MET 23 HA MET 23 -7.820 6.087 3.464 160 1HB MET 23 2HB MET 23 -5.774 4.852 4.269 161 2HB MET 23 1HB MET 23 -6.438 4.944 5.894 162 1HG MET 23 2HG MET 23 -8.537 3.889 4.577 163 2HG MET 23 1HG MET 23 -7.202 3.239 3.627 164 1HE MET 23 1HE MET 23 -9.570 2.088 5.797 165 2HE MET 23 2HE MET 23 -9.073 3.182 7.088 166 3HE MET 23 3HE MET 23 -8.863 1.441 7.278 167 H THR 24 H THR 24 -9.442 7.695 4.143 168 HA THR 24 HA THR 24 -10.520 7.184 6.829 169 HB THR 24 HB THR 24 -11.984 9.281 5.877 170 HG1 THR 24 1HG THR 24 -10.810 10.513 4.585 171 1HG2 THR 24 1HG2 THR 24 -10.921 9.322 8.029 172 2HG2 THR 24 2HG2 THR 24 -10.474 10.770 7.125 173 3HG2 THR 24 3HG2 THR 24 -9.328 9.437 7.279 174 H ASP 25 H ASP 25 -13.106 7.825 6.609 175 HA ASP 25 HA ASP 25 -14.318 5.544 5.585 176 1HB ASP 25 2HB ASP 25 -15.501 8.262 6.182 177 2HB ASP 25 1HB ASP 25 -16.461 6.831 5.821 178 H ASP 26 H ASP 26 -13.600 8.597 4.050 179 HA ASP 26 HA ASP 26 -15.291 8.347 1.810 180 1HB ASP 26 2HB ASP 26 -12.624 9.764 1.957 181 2HB ASP 26 1HB ASP 26 -13.903 10.057 0.782 182 H ILE 27 H ILE 27 -12.239 6.902 2.611 183 HA ILE 27 HA ILE 27 -11.683 6.062 -0.092 184 HB ILE 27 HB ILE 27 -10.323 5.362 2.512 185 1HG1 ILE 27 2HG1 ILE 27 -10.032 7.701 2.127 186 2HG1 ILE 27 1HG1 ILE 27 -8.561 6.925 1.595 187 1HG2 ILE 27 1HG2 ILE 27 -8.456 4.618 1.091 188 2HG2 ILE 27 2HG2 ILE 27 -9.463 4.874 -0.334 189 3HG2 ILE 27 3HG2 ILE 27 -9.913 3.653 0.856 190 1HD1 ILE 27 1HD1 ILE 27 -10.596 8.372 0.049 191 2HD1 ILE 27 2HD1 ILE 27 -9.890 6.953 -0.723 192 3HD1 ILE 27 3HD1 ILE 27 -8.850 8.271 -0.181 193 H ASP 28 H ASP 28 -12.412 4.116 -0.967 194 HA ASP 28 HA ASP 28 -13.576 2.180 0.905 195 1HB ASP 28 2HB ASP 28 -14.723 3.446 -1.292 196 2HB ASP 28 1HB ASP 28 -14.363 1.821 -1.865 197 H GLU 29 H GLU 29 -11.622 2.440 -2.095 198 HA GLU 29 HA GLU 29 -10.691 -0.297 -1.484 199 1HB GLU 29 2HB GLU 29 -12.210 -0.237 -3.438 200 2HB GLU 29 1HB GLU 29 -11.102 0.860 -4.240 201 1HG GLU 29 2HG GLU 29 -9.377 -0.848 -4.244 202 2HG GLU 29 1HG GLU 29 -10.455 -1.949 -3.385 203 H VAL 30 H VAL 30 -8.610 -0.339 -0.963 204 HA VAL 30 HA VAL 30 -6.779 1.585 -2.254 205 HB VAL 30 HB VAL 30 -6.247 0.281 0.421 206 1HG1 VAL 30 1HG1 VAL 30 -4.844 2.154 -1.338 207 2HG1 VAL 30 2HG1 VAL 30 -4.222 1.074 -0.091 208 3HG1 VAL 30 3HG1 VAL 30 -4.901 2.640 0.357 209 1HG2 VAL 30 1HG2 VAL 30 -6.850 3.065 0.673 210 2HG2 VAL 30 2HG2 VAL 30 -7.626 1.688 1.454 211 3HG2 VAL 30 3HG2 VAL 30 -8.203 2.252 -0.114 212 H ARG 31 H ARG 31 -5.745 0.498 -3.836 213 HA ARG 31 HA ARG 31 -4.930 -2.272 -3.309 214 1HB ARG 31 2HB ARG 31 -4.608 -2.387 -5.799 215 2HB ARG 31 1HB ARG 31 -6.265 -2.146 -5.264 216 1HG ARG 31 2HG ARG 31 -6.260 0.112 -5.919 217 2HG ARG 31 1HG ARG 31 -4.504 0.136 -6.096 218 1HD ARG 31 2HD ARG 31 -5.762 0.043 -8.253 219 2HD ARG 31 1HD ARG 31 -4.605 -1.267 -8.023 220 HE ARG 31 HE ARG 31 -6.917 -2.326 -7.113 221 1HH1 ARG 31 1HH1 ARG 31 -6.044 -0.715 -10.082 222 2HH1 ARG 31 2HH1 ARG 31 -7.197 -1.583 -11.039 223 1HH2 ARG 31 1HH2 ARG 31 -8.434 -3.470 -8.370 224 2HH2 ARG 31 2HH2 ARG 31 -8.554 -3.147 -10.067 225 H TRP 32 H TRP 32 -2.886 -2.897 -3.278 226 HA TRP 32 HA TRP 32 -0.794 -0.886 -3.789 227 1HB TRP 32 2HB TRP 32 -0.987 -3.133 -1.792 228 2HB TRP 32 1HB TRP 32 0.573 -2.479 -2.267 229 HD1 TRP 32 HD TRP 32 -2.585 -1.560 -0.293 230 HE1 TRP 32 1HE TRP 32 -2.062 0.492 1.170 231 HE3 TRP 32 3HE TRP 32 2.050 -0.421 -2.120 232 HZ2 TRP 32 2HZ TRP 32 0.039 2.355 1.502 233 HZ3 TRP 32 3HZ TRP 32 3.245 1.516 -1.181 234 HH2 TRP 32 HH TRP 32 2.259 2.871 0.592 235 H GLU 33 H GLU 33 -0.620 -1.403 -5.999 236 HA GLU 33 HA GLU 33 0.148 -4.162 -6.627 237 1HB GLU 33 2HB GLU 33 -0.628 -1.904 -8.476 238 2HB GLU 33 1HB GLU 33 -0.258 -3.549 -8.973 239 1HG GLU 33 2HG GLU 33 -2.186 -4.407 -7.920 240 2HG GLU 33 1HG GLU 33 -2.470 -2.899 -7.052 241 H ARG 34 H ARG 34 1.982 -4.690 -7.733 242 HA ARG 34 HA ARG 34 3.973 -2.597 -8.216 243 1HB ARG 34 2HB ARG 34 4.223 -3.886 -5.942 244 2HB ARG 34 1HB ARG 34 4.831 -5.183 -6.963 245 1HG ARG 34 2HG ARG 34 6.227 -2.984 -7.851 246 2HG ARG 34 1HG ARG 34 6.115 -2.722 -6.109 247 1HD ARG 34 2HD ARG 34 7.431 -4.498 -5.622 248 2HD ARG 34 1HD ARG 34 6.816 -5.456 -6.968 249 HE ARG 34 HE ARG 34 8.475 -3.250 -7.775 250 1HH1 ARG 34 1HH1 ARG 34 8.445 -6.587 -6.750 251 2HH1 ARG 34 2HH1 ARG 34 9.964 -6.958 -7.496 252 1HH2 ARG 34 1HH2 ARG 34 10.472 -3.738 -8.755 253 2HH2 ARG 34 2HH2 ARG 34 11.115 -5.342 -8.632 254 H GLY 35 H GLY 35 4.511 -2.766 -10.303 255 1HA GLY 35 2HA GLY 35 4.976 -3.690 -12.362 256 2HA GLY 35 1HA GLY 35 5.552 -5.089 -11.474 257 H SER 36 H SER 36 4.561 -6.904 -11.912 258 HA SER 36 HA SER 36 1.772 -6.805 -12.862 259 1HB SER 36 2HB SER 36 2.426 -9.082 -13.933 260 2HB SER 36 1HB SER 36 2.980 -7.596 -14.705 261 HG SER 36 HG SER 36 4.425 -9.505 -13.258 262 H THR 37 H THR 37 2.275 -6.864 -10.140 263 HA THR 37 HA THR 37 1.057 -9.403 -9.432 264 HB THR 37 HB THR 37 3.699 -8.501 -8.272 265 HG1 THR 37 1HG THR 37 4.375 -10.541 -9.046 266 1HG2 THR 37 1HG2 THR 37 1.943 -10.782 -7.399 267 2HG2 THR 37 2HG2 THR 37 2.402 -9.368 -6.447 268 3HG2 THR 37 3HG2 THR 37 3.622 -10.553 -6.915 269 H LEU 38 H LEU 38 0.232 -9.428 -7.216 270 HA LEU 38 HA LEU 38 -0.461 -6.708 -6.309 271 1HB LEU 38 2HB LEU 38 -1.906 -9.272 -6.349 272 2HB LEU 38 1HB LEU 38 -2.024 -8.409 -4.836 273 HG LEU 38 HG LEU 38 -2.859 -7.353 -7.538 274 1HD1 LEU 38 1HD1 LEU 38 -5.003 -7.292 -5.834 275 2HD1 LEU 38 2HD1 LEU 38 -4.195 -8.796 -5.383 276 3HD1 LEU 38 3HD1 LEU 38 -4.696 -8.528 -7.055 277 1HD2 LEU 38 1HD2 LEU 38 -2.804 -6.076 -4.810 278 2HD2 LEU 38 2HD2 LEU 38 -3.780 -5.471 -6.149 279 3HD2 LEU 38 3HD2 LEU 38 -2.023 -5.509 -6.286 280 H VAL 39 H VAL 39 -0.279 -6.155 -4.136 281 HA VAL 39 HA VAL 39 1.443 -7.939 -2.553 282 HB VAL 39 HB VAL 39 1.473 -4.924 -2.743 283 1HG1 VAL 39 1HG1 VAL 39 2.909 -6.706 -0.780 284 2HG1 VAL 39 2HG1 VAL 39 1.669 -5.506 -0.414 285 3HG1 VAL 39 3HG1 VAL 39 3.244 -4.991 -1.021 286 1HG2 VAL 39 1HG2 VAL 39 2.730 -6.551 -4.375 287 2HG2 VAL 39 2HG2 VAL 39 3.854 -6.713 -3.026 288 3HG2 VAL 39 3HG2 VAL 39 3.556 -5.127 -3.737 289 H ALA 40 H ALA 40 -1.053 -5.440 -2.458 290 HA ALA 40 HA ALA 40 -2.481 -6.777 -0.389 291 1HB ALA 40 1HB ALA 40 -1.061 -4.230 0.372 292 2HB ALA 40 2HB ALA 40 -0.758 -5.840 1.026 293 3HB ALA 40 3HB ALA 40 -2.295 -5.035 1.340 294 H GLU 41 H GLU 41 -4.481 -6.502 -1.106 295 HA GLU 41 HA GLU 41 -5.296 -3.818 -1.998 296 1HB GLU 41 2HB GLU 41 -5.387 -6.279 -3.413 297 2HB GLU 41 1HB GLU 41 -7.045 -5.813 -3.057 298 1HG GLU 41 2HG GLU 41 -6.766 -3.715 -4.150 299 2HG GLU 41 1HG GLU 41 -5.033 -3.984 -4.329 300 H PHE 42 H PHE 42 -6.577 -2.912 -0.556 301 HA PHE 42 HA PHE 42 -8.345 -4.601 1.061 302 1HB PHE 42 2HB PHE 42 -6.952 -3.237 2.430 303 2HB PHE 42 1HB PHE 42 -7.268 -1.809 1.455 304 HD1 PHE 42 1HD PHE 42 -9.534 -0.768 1.513 305 HD2 PHE 42 2HD PHE 42 -8.356 -3.819 4.236 306 HE1 PHE 42 1HE PHE 42 -11.378 -0.135 3.009 307 HE2 PHE 42 2HE PHE 42 -10.199 -3.190 5.742 308 HZ PHE 42 HZ PHE 42 -11.714 -1.347 5.129 309 H LYS 43 H LYS 43 -10.439 -4.648 0.623 310 HA LYS 43 HA LYS 43 -11.621 -2.405 -0.882 311 1HB LYS 43 2HB LYS 43 -12.108 -5.369 -1.096 312 2HB LYS 43 1HB LYS 43 -13.284 -4.198 -1.675 313 1HG LYS 43 2HG LYS 43 -11.858 -3.412 -3.346 314 2HG LYS 43 1HG LYS 43 -10.431 -4.118 -2.585 315 1HD LYS 43 2HD LYS 43 -11.053 -5.418 -4.532 316 2HD LYS 43 1HD LYS 43 -11.319 -6.367 -3.069 317 1HE LYS 43 2HE LYS 43 -13.211 -6.712 -4.452 318 2HE LYS 43 1HE LYS 43 -13.723 -5.630 -3.159 319 1HZ LYS 43 1HZ LYS 43 -14.520 -4.934 -5.357 320 2HZ LYS 43 2HZ LYS 43 -12.923 -4.751 -5.881 321 3HZ LYS 43 3HZ LYS 43 -13.525 -3.766 -4.644 322 H ARG 44 H ARG 44 -13.405 -1.466 -0.034 323 HA ARG 44 HA ARG 44 -14.086 -1.717 2.590 324 1HB ARG 44 2HB ARG 44 -14.788 0.192 1.285 325 2HB ARG 44 1HB ARG 44 -15.847 -0.826 0.319 326 1HG ARG 44 2HG ARG 44 -17.064 0.510 1.982 327 2HG ARG 44 1HG ARG 44 -17.272 -1.225 2.225 328 1HD ARG 44 2HD ARG 44 -16.920 -0.177 4.358 329 2HD ARG 44 1HD ARG 44 -15.503 -1.147 3.957 330 HE ARG 44 HE ARG 44 -14.950 1.395 3.058 331 1HH1 ARG 44 1HH1 ARG 44 -15.716 -0.087 6.123 332 2HH1 ARG 44 2HH1 ARG 44 -14.811 1.064 7.048 333 1HH2 ARG 44 1HH2 ARG 44 -13.759 2.910 4.273 334 2HH2 ARG 44 2HH2 ARG 44 -13.701 2.765 5.998 335 H LYS 45 H LYS 45 -15.133 -3.634 -0.002 336 HA LYS 45 HA LYS 45 -17.264 -4.923 1.459 337 1HB LYS 45 2HB LYS 45 -16.023 -5.742 -1.172 338 2HB LYS 45 1HB LYS 45 -17.561 -6.292 -0.518 339 1HG LYS 45 2HG LYS 45 -18.652 -4.404 -1.118 340 2HG LYS 45 1HG LYS 45 -17.237 -3.377 -0.871 341 1HD LYS 45 2HD LYS 45 -16.480 -3.680 -2.990 342 2HD LYS 45 1HD LYS 45 -17.082 -5.336 -3.082 343 1HE LYS 45 2HE LYS 45 -19.250 -4.640 -3.615 344 2HE LYS 45 1HE LYS 45 -18.957 -2.995 -3.054 345 1HZ LYS 45 1HZ LYS 45 -18.981 -3.524 -5.580 346 2HZ LYS 45 2HZ LYS 45 -17.394 -4.042 -5.311 347 3HZ LYS 45 3HZ LYS 45 -17.833 -2.448 -4.959 348 H MET 46 H MET 46 -14.804 -5.056 2.793 349 HA MET 46 HA MET 46 -13.230 -6.495 3.693 350 1HB MET 46 2HB MET 46 -15.740 -7.207 4.356 351 2HB MET 46 1HB MET 46 -15.203 -8.697 3.599 352 1HG MET 46 2HG MET 46 -13.862 -9.226 5.307 353 2HG MET 46 1HG MET 46 -13.286 -7.572 5.493 354 1HE MET 46 1HE MET 46 -14.752 -9.145 8.876 355 2HE MET 46 2HE MET 46 -13.636 -9.622 7.595 356 3HE MET 46 3HE MET 46 -15.286 -10.248 7.607 357 H LYS 47 H LYS 47 -12.876 -9.223 3.578 358 HA LYS 47 HA LYS 47 -11.728 -10.800 2.404 359 1HB LYS 47 2HB LYS 47 -13.983 -10.005 0.654 360 2HB LYS 47 1HB LYS 47 -12.700 -10.940 -0.101 361 1HG LYS 47 2HG LYS 47 -13.218 -12.825 1.025 362 2HG LYS 47 1HG LYS 47 -13.704 -11.953 2.480 363 1HD LYS 47 2HD LYS 47 -15.425 -11.542 0.127 364 2HD LYS 47 1HD LYS 47 -15.429 -13.178 0.790 365 1HE LYS 47 2HE LYS 47 -15.892 -10.679 2.412 366 2HE LYS 47 1HE LYS 47 -17.179 -11.684 1.747 367 1HZ LYS 47 1HZ LYS 47 -16.843 -13.284 3.277 368 2HZ LYS 47 2HZ LYS 47 -16.187 -12.015 4.181 369 3HZ LYS 47 3HZ LYS 47 -15.166 -13.061 3.330 370 HA PRO 48 HA PRO 48 -9.160 -7.642 0.111 371 1HB PRO 48 2HB PRO 48 -7.130 -7.383 1.843 372 2HB PRO 48 1HB PRO 48 -8.629 -6.466 2.033 373 1HG PRO 48 2HG PRO 48 -7.719 -8.927 3.462 374 2HG PRO 48 1HG PRO 48 -8.557 -7.504 4.104 375 1HD PRO 48 2HD PRO 48 -9.789 -9.888 3.461 376 2HD PRO 48 1HD PRO 48 -10.612 -8.319 3.534 377 H PHE 49 H PHE 49 -6.641 -7.900 -0.304 378 HA PHE 49 HA PHE 49 -6.035 -10.779 -0.473 379 1HB PHE 49 2HB PHE 49 -6.661 -10.116 -2.690 380 2HB PHE 49 1HB PHE 49 -5.652 -8.674 -2.607 381 HD1 PHE 49 1HD PHE 49 -5.626 -12.341 -2.894 382 HD2 PHE 49 2HD PHE 49 -3.304 -8.775 -3.056 383 HE1 PHE 49 1HE PHE 49 -3.748 -13.606 -3.858 384 HE2 PHE 49 2HE PHE 49 -1.432 -10.031 -4.020 385 HZ PHE 49 HZ PHE 49 -1.645 -12.452 -4.420 386 H LEU 50 H LEU 50 -4.491 -10.994 1.048 387 HA LEU 50 HA LEU 50 -2.295 -9.069 1.133 388 1HB LEU 50 2HB LEU 50 -3.501 -10.996 3.029 389 2HB LEU 50 1HB LEU 50 -1.762 -10.817 3.130 390 HG LEU 50 HG LEU 50 -3.818 -8.638 3.480 391 1HD1 LEU 50 1HD1 LEU 50 -2.621 -8.539 5.746 392 2HD1 LEU 50 2HD1 LEU 50 -2.018 -10.147 5.342 393 3HD1 LEU 50 3HD1 LEU 50 -3.755 -9.860 5.462 394 1HD2 LEU 50 1HD2 LEU 50 -2.198 -7.306 2.683 395 2HD2 LEU 50 2HD2 LEU 50 -0.950 -8.536 2.877 396 3HD2 LEU 50 3HD2 LEU 50 -1.450 -7.562 4.262 397 H LYS 51 H LYS 51 -0.658 -9.538 -0.229 398 HA LYS 51 HA LYS 51 -0.173 -11.818 -1.624 399 1HB LYS 51 2HB LYS 51 1.049 -9.749 -2.012 400 2HB LYS 51 1HB LYS 51 1.904 -9.938 -0.488 401 1HG LYS 51 2HG LYS 51 3.299 -10.565 -2.382 402 2HG LYS 51 1HG LYS 51 2.991 -11.946 -1.327 403 1HD LYS 51 2HD LYS 51 1.270 -12.747 -2.849 404 2HD LYS 51 1HD LYS 51 1.511 -11.341 -3.887 405 1HE LYS 51 2HE LYS 51 3.685 -12.051 -4.501 406 2HE LYS 51 1HE LYS 51 3.717 -13.279 -3.236 407 1HZ LYS 51 1HZ LYS 51 1.574 -13.500 -5.190 408 2HZ LYS 51 2HZ LYS 51 2.512 -14.709 -4.469 409 3HZ LYS 51 3HZ LYS 51 3.136 -13.815 -5.762 410 H SER 52 H SER 52 0.895 -11.138 1.675 411 HA SER 52 HA SER 52 0.894 -13.798 2.491 412 1HB SER 52 2HB SER 52 3.077 -13.383 0.860 413 2HB SER 52 1HB SER 52 3.756 -13.148 2.471 414 HG SER 52 HG SER 52 3.823 -15.340 1.818 415 H GLY 53 H GLY 53 1.995 -14.103 4.621 416 1HA GLY 53 2HA GLY 53 1.239 -12.130 6.409 417 2HA GLY 53 1HA GLY 53 2.361 -13.407 6.835 418 H ALA 54 H ALA 54 3.979 -11.997 4.379 419 HA ALA 54 HA ALA 54 5.704 -10.584 6.159 420 1HB ALA 54 1HB ALA 54 7.231 -10.689 4.507 421 2HB ALA 54 2HB ALA 54 6.075 -10.214 3.262 422 3HB ALA 54 3HB ALA 54 6.113 -11.878 3.841 423 H PHE 55 H PHE 55 2.831 -9.614 4.978 424 HA PHE 55 HA PHE 55 3.658 -6.799 5.028 425 1HB PHE 55 2HB PHE 55 1.612 -7.930 3.117 426 2HB PHE 55 1HB PHE 55 2.088 -6.248 3.249 427 HD1 PHE 55 1HD PHE 55 2.759 -9.385 1.697 428 HD2 PHE 55 2HD PHE 55 4.476 -5.639 2.724 429 HE1 PHE 55 1HE PHE 55 4.516 -9.737 0.009 430 HE2 PHE 55 2HE PHE 55 6.235 -5.972 1.038 431 HZ PHE 55 HZ PHE 55 6.260 -8.027 -0.322 432 H GLU 56 H GLU 56 1.993 -5.314 5.626 433 HA GLU 56 HA GLU 56 -0.473 -6.360 6.717 434 1HB GLU 56 2HB GLU 56 1.790 -5.399 8.416 435 2HB GLU 56 1HB GLU 56 0.149 -5.002 8.908 436 1HG GLU 56 2HG GLU 56 -0.367 -7.463 8.740 437 2HG GLU 56 1HG GLU 56 1.366 -7.724 8.565 438 H ILE 57 H ILE 57 -1.977 -4.989 6.057 439 HA ILE 57 HA ILE 57 -1.323 -2.376 5.111 440 HB ILE 57 HB ILE 57 -3.101 -3.735 4.079 441 1HG1 ILE 57 2HG1 ILE 57 -4.505 -1.317 5.124 442 2HG1 ILE 57 1HG1 ILE 57 -2.996 -1.092 4.243 443 1HG2 ILE 57 1HG2 ILE 57 -5.202 -3.094 5.960 444 2HG2 ILE 57 2HG2 ILE 57 -3.973 -4.128 6.684 445 3HG2 ILE 57 3HG2 ILE 57 -4.791 -4.635 5.208 446 1HD1 ILE 57 1HD1 ILE 57 -5.114 -2.801 3.047 447 2HD1 ILE 57 2HD1 ILE 57 -3.888 -1.804 2.263 448 3HD1 ILE 57 3HD1 ILE 57 -5.296 -1.047 3.009 449 H LEU 58 H LEU 58 -0.695 -0.941 6.611 450 HA LEU 58 HA LEU 58 -1.455 -0.733 9.246 451 1HB LEU 58 2HB LEU 58 -0.031 0.855 7.353 452 2HB LEU 58 1HB LEU 58 -1.107 1.910 8.249 453 HG LEU 58 HG LEU 58 -0.088 1.340 10.325 454 1HD1 LEU 58 1HD1 LEU 58 1.032 -0.937 8.779 455 2HD1 LEU 58 2HD1 LEU 58 0.349 -0.899 10.404 456 3HD1 LEU 58 3HD1 LEU 58 1.978 -0.287 10.117 457 1HD2 LEU 58 1HD2 LEU 58 1.289 2.955 9.541 458 2HD2 LEU 58 2HD2 LEU 58 1.651 2.079 8.054 459 3HD2 LEU 58 3HD2 LEU 58 2.458 1.633 9.558 460 H ALA 59 H ALA 59 -2.685 1.180 10.213 461 HA ALA 59 HA ALA 59 -5.407 0.952 9.471 462 1HB ALA 59 1HB ALA 59 -4.324 1.489 11.773 463 2HB ALA 59 2HB ALA 59 -5.889 2.186 11.358 464 3HB ALA 59 3HB ALA 59 -4.426 3.161 11.223 465 H ASN 60 H ASN 60 -2.898 3.175 8.570 466 HA ASN 60 HA ASN 60 -4.840 5.051 7.447 467 1HB ASN 60 2HB ASN 60 -2.945 6.541 7.085 468 2HB ASN 60 1HB ASN 60 -2.964 5.977 8.752 469 1HD2 ASN 60 1HD2 ASN 60 -1.479 4.297 9.347 470 2HD2 ASN 60 2HD2 ASN 60 0.016 4.130 8.500 471 H GLY 61 H GLY 61 -4.548 2.420 6.289 472 1HA GLY 61 2HA GLY 61 -4.400 1.444 4.216 473 2HA GLY 61 1HA GLY 61 -4.526 3.073 3.573 474 H ASP 62 H ASP 62 -1.914 2.064 5.669 475 HA ASP 62 HA ASP 62 -0.041 2.575 3.480 476 1HB ASP 62 2HB ASP 62 -0.008 3.429 6.072 477 2HB ASP 62 1HB ASP 62 1.056 2.030 6.157 478 H LEU 63 H LEU 63 2.022 1.213 3.570 479 HA LEU 63 HA LEU 63 1.227 -1.643 3.790 480 1HB LEU 63 2HB LEU 63 1.879 -0.650 1.524 481 2HB LEU 63 1HB LEU 63 3.511 -0.543 2.160 482 HG LEU 63 HG LEU 63 3.232 -3.083 2.639 483 1HD1 LEU 63 1HD1 LEU 63 1.661 -4.275 1.454 484 2HD1 LEU 63 2HD1 LEU 63 1.406 -2.977 0.282 485 3HD1 LEU 63 3HD1 LEU 63 0.738 -2.840 1.909 486 1HD2 LEU 63 1HD2 LEU 63 3.792 -3.463 0.119 487 2HD2 LEU 63 2HD2 LEU 63 4.885 -2.529 1.141 488 3HD2 LEU 63 3HD2 LEU 63 3.772 -1.701 0.053 489 H LYS 64 H LYS 64 2.125 -2.710 5.443 490 HA LYS 64 HA LYS 64 4.659 -1.702 6.543 491 1HB LYS 64 2HB LYS 64 2.353 -2.125 7.874 492 2HB LYS 64 1HB LYS 64 3.087 -3.712 8.051 493 1HG LYS 64 2HG LYS 64 4.736 -1.316 8.664 494 2HG LYS 64 1HG LYS 64 3.489 -1.806 9.814 495 1HD LYS 64 2HD LYS 64 4.545 -3.777 10.327 496 2HD LYS 64 1HD LYS 64 5.340 -3.884 8.755 497 1HE LYS 64 2HE LYS 64 6.881 -3.402 10.658 498 2HE LYS 64 1HE LYS 64 6.928 -2.208 9.362 499 1HZ LYS 64 1HZ LYS 64 5.720 -0.681 10.643 500 2HZ LYS 64 2HZ LYS 64 6.861 -1.328 11.712 501 3HZ LYS 64 3HZ LYS 64 5.253 -1.847 11.776 502 H ILE 65 H ILE 65 6.368 -2.768 5.786 503 HA ILE 65 HA ILE 65 6.120 -5.557 4.975 504 HB ILE 65 HB ILE 65 8.690 -4.020 4.908 505 1HG1 ILE 65 2HG1 ILE 65 6.347 -3.729 3.008 506 2HG1 ILE 65 1HG1 ILE 65 7.153 -2.462 3.922 507 1HG2 ILE 65 1HG2 ILE 65 8.539 -5.447 2.618 508 2HG2 ILE 65 2HG2 ILE 65 7.567 -6.448 3.695 509 3HG2 ILE 65 3HG2 ILE 65 9.231 -6.053 4.122 510 1HD1 ILE 65 1HD1 ILE 65 8.534 -2.087 2.244 511 2HD1 ILE 65 2HD1 ILE 65 7.675 -3.298 1.293 512 3HD1 ILE 65 3HD1 ILE 65 9.071 -3.766 2.263 513 H LYS 66 H LYS 66 7.066 -7.273 6.012 514 HA LYS 66 HA LYS 66 7.880 -6.835 8.743 515 1HB LYS 66 2HB LYS 66 6.354 -8.668 8.206 516 2HB LYS 66 1HB LYS 66 7.583 -9.394 7.179 517 1HG LYS 66 2HG LYS 66 8.874 -10.067 8.971 518 2HG LYS 66 1HG LYS 66 8.162 -8.877 10.062 519 1HD LYS 66 2HD LYS 66 6.430 -11.011 8.899 520 2HD LYS 66 1HD LYS 66 7.509 -11.410 10.238 521 1HE LYS 66 2HE LYS 66 6.404 -9.134 11.171 522 2HE LYS 66 1HE LYS 66 5.074 -9.748 10.189 523 1HZ LYS 66 1HZ LYS 66 5.417 -10.461 12.693 524 2HZ LYS 66 2HZ LYS 66 6.401 -11.636 11.978 525 3HZ LYS 66 3HZ LYS 66 4.771 -11.523 11.543 526 H ASN 67 H ASN 67 9.319 -8.302 5.887 527 HA ASN 67 HA ASN 67 11.966 -7.610 6.886 528 1HB ASN 67 2HB ASN 67 10.912 -10.293 6.864 529 2HB ASN 67 1HB ASN 67 12.273 -10.178 5.753 530 1HD2 ASN 67 1HD2 ASN 67 13.809 -11.216 6.869 531 2HD2 ASN 67 2HD2 ASN 67 14.388 -10.740 8.425 532 H LEU 68 H LEU 68 12.729 -6.369 5.316 533 HA LEU 68 HA LEU 68 11.849 -6.243 2.710 534 1HB LEU 68 2HB LEU 68 14.408 -5.438 4.039 535 2HB LEU 68 1HB LEU 68 14.186 -5.212 2.314 536 HG LEU 68 HG LEU 68 12.048 -4.184 4.079 537 1HD1 LEU 68 1HD1 LEU 68 14.764 -2.901 3.860 538 2HD1 LEU 68 2HD1 LEU 68 13.969 -3.467 5.328 539 3HD1 LEU 68 3HD1 LEU 68 13.316 -2.086 4.449 540 1HD2 LEU 68 1HD2 LEU 68 11.467 -3.369 2.106 541 2HD2 LEU 68 2HD2 LEU 68 13.004 -3.847 1.388 542 3HD2 LEU 68 3HD2 LEU 68 12.859 -2.291 2.206 543 H THR 69 H THR 69 12.620 -6.954 0.761 544 HA THR 69 HA THR 69 14.744 -8.919 0.640 545 HB THR 69 HB THR 69 13.167 -10.521 -0.608 546 HG1 THR 69 1HG THR 69 11.223 -9.149 0.927 547 1HG2 THR 69 1HG2 THR 69 14.051 -11.143 1.538 548 2HG2 THR 69 2HG2 THR 69 12.348 -11.589 1.440 549 3HG2 THR 69 3HG2 THR 69 12.835 -10.163 2.357 550 H ARG 70 H ARG 70 15.011 -9.701 -1.690 551 HA ARG 70 HA ARG 70 15.508 -7.559 -3.365 552 1HB ARG 70 2HB ARG 70 14.950 -10.430 -4.133 553 2HB ARG 70 1HB ARG 70 15.675 -9.230 -5.194 554 1HG ARG 70 2HG ARG 70 16.903 -9.885 -2.544 555 2HG ARG 70 1HG ARG 70 17.210 -10.880 -3.970 556 1HD ARG 70 2HD ARG 70 17.511 -7.957 -4.297 557 2HD ARG 70 1HD ARG 70 18.717 -8.768 -3.299 558 HE ARG 70 HE ARG 70 18.265 -10.083 -5.805 559 1HH1 ARG 70 1HH1 ARG 70 20.006 -7.502 -4.228 560 2HH1 ARG 70 2HH1 ARG 70 21.286 -7.483 -5.395 561 1HH2 ARG 70 1HH2 ARG 70 19.948 -10.060 -7.340 562 2HH2 ARG 70 2HH2 ARG 70 21.252 -8.935 -7.162 563 H ASP 71 H ASP 71 12.747 -9.805 -3.576 564 HA ASP 71 HA ASP 71 11.455 -8.623 -5.729 565 1HB ASP 71 2HB ASP 71 10.830 -10.812 -4.807 566 2HB ASP 71 1HB ASP 71 10.199 -10.027 -3.362 567 H ASP 72 H ASP 72 11.742 -7.478 -2.481 568 HA ASP 72 HA ASP 72 9.433 -5.750 -2.644 569 1HB ASP 72 2HB ASP 72 11.615 -5.532 -0.583 570 2HB ASP 72 1HB ASP 72 9.920 -5.083 -0.437 571 H SER 73 H SER 73 12.665 -5.592 -3.693 572 HA SER 73 HA SER 73 12.902 -2.719 -3.493 573 1HB SER 73 2HB SER 73 14.807 -4.525 -3.473 574 2HB SER 73 1HB SER 73 14.679 -4.402 -5.228 575 HG SER 73 HG SER 73 15.514 -2.451 -5.165 576 H GLY 74 H GLY 74 11.920 -1.371 -4.868 577 1HA GLY 74 2HA GLY 74 12.145 -1.181 -7.527 578 2HA GLY 74 1HA GLY 74 10.858 -2.366 -7.354 579 H THR 75 H THR 75 9.700 -0.672 -8.548 580 HA THR 75 HA THR 75 8.859 1.663 -6.982 581 HB THR 75 HB THR 75 7.732 1.050 -9.667 582 HG1 THR 75 1HG THR 75 9.661 1.756 -10.661 583 1HG2 THR 75 1HG2 THR 75 7.598 3.240 -8.194 584 2HG2 THR 75 2HG2 THR 75 7.643 3.285 -9.955 585 3HG2 THR 75 3HG2 THR 75 9.113 3.574 -9.027 586 H TYR 76 H TYR 76 7.010 1.700 -5.865 587 HA TYR 76 HA TYR 76 5.054 -0.452 -6.298 588 1HB TYR 76 2HB TYR 76 5.650 1.311 -3.925 589 2HB TYR 76 1HB TYR 76 4.159 0.383 -4.037 590 HD1 TYR 76 1HD TYR 76 4.136 -1.678 -2.993 591 HD2 TYR 76 2HD TYR 76 7.835 -0.161 -4.439 592 HE1 TYR 76 1HE TYR 76 5.301 -3.641 -2.067 593 HE2 TYR 76 2HE TYR 76 9.005 -2.111 -3.518 594 HH TYR 76 HH TYR 76 8.733 -3.820 -1.878 595 H ASN 77 H ASN 77 2.831 0.039 -6.515 596 HA ASN 77 HA ASN 77 2.230 2.869 -7.061 597 1HB ASN 77 2HB ASN 77 1.892 0.494 -8.811 598 2HB ASN 77 1HB ASN 77 0.599 1.687 -8.830 599 1HD2 ASN 77 1HD2 ASN 77 3.701 0.882 -9.917 600 2HD2 ASN 77 2HD2 ASN 77 4.061 2.358 -10.739 601 H VAL 78 H VAL 78 0.519 3.623 -6.007 602 HA VAL 78 HA VAL 78 -1.406 1.682 -4.907 603 HB VAL 78 HB VAL 78 -1.436 4.413 -3.783 604 1HG1 VAL 78 1HG1 VAL 78 -2.537 3.366 -2.168 605 2HG1 VAL 78 2HG1 VAL 78 -1.228 2.207 -1.932 606 3HG1 VAL 78 3HG1 VAL 78 -2.461 1.911 -3.157 607 1HG2 VAL 78 1HG2 VAL 78 0.990 2.694 -3.600 608 2HG2 VAL 78 2HG2 VAL 78 0.451 3.541 -2.147 609 3HG2 VAL 78 3HG2 VAL 78 0.840 4.453 -3.607 610 H THR 79 H THR 79 -3.495 1.845 -5.435 611 HA THR 79 HA THR 79 -4.376 4.240 -6.907 612 HB THR 79 HB THR 79 -5.931 1.844 -7.484 613 HG1 THR 79 1HG THR 79 -3.159 1.841 -8.050 614 1HG2 THR 79 1HG2 THR 79 -4.400 3.068 -9.645 615 2HG2 THR 79 2HG2 THR 79 -5.431 4.189 -8.755 616 3HG2 THR 79 3HG2 THR 79 -6.130 2.754 -9.507 617 H VAL 80 H VAL 80 -5.349 5.287 -5.256 618 HA VAL 80 HA VAL 80 -7.112 3.892 -3.429 619 HB VAL 80 HB VAL 80 -6.345 6.808 -3.653 620 1HG1 VAL 80 1HG1 VAL 80 -8.618 6.544 -2.723 621 2HG1 VAL 80 2HG1 VAL 80 -7.466 7.189 -1.555 622 3HG1 VAL 80 3HG1 VAL 80 -7.955 5.495 -1.471 623 1HG2 VAL 80 1HG2 VAL 80 -5.655 5.348 -1.220 624 2HG2 VAL 80 2HG2 VAL 80 -4.665 6.398 -2.233 625 3HG2 VAL 80 3HG2 VAL 80 -4.880 4.703 -2.666 626 H TYR 81 H TYR 81 -9.246 3.724 -3.589 627 HA TYR 81 HA TYR 81 -10.629 5.419 -5.558 628 1HB TYR 81 2HB TYR 81 -11.241 2.581 -4.786 629 2HB TYR 81 1HB TYR 81 -12.217 3.554 -5.853 630 HD1 TYR 81 1HD TYR 81 -9.209 1.540 -5.555 631 HD2 TYR 81 2HD TYR 81 -11.363 4.196 -8.086 632 HE1 TYR 81 1HE TYR 81 -7.857 0.801 -7.469 633 HE2 TYR 81 2HE TYR 81 -10.012 3.469 -10.008 634 HH TYR 81 HH TYR 81 -8.662 1.571 -10.696 635 H SER 82 H SER 82 -12.750 5.993 -5.113 636 HA SER 82 HA SER 82 -13.278 6.436 -2.294 637 1HB SER 82 2HB SER 82 -15.365 7.540 -3.828 638 2HB SER 82 1HB SER 82 -14.015 8.387 -3.073 639 HG SER 82 HG SER 82 -14.113 8.779 -5.322 640 H THR 83 H THR 83 -15.729 6.422 -1.740 641 HA THR 83 HA THR 83 -16.582 3.741 -1.704 642 HB THR 83 HB THR 83 -18.829 4.937 -0.989 643 HG1 THR 83 1HG THR 83 -18.696 7.016 -0.735 644 1HG2 THR 83 1HG2 THR 83 -18.013 5.239 1.266 645 2HG2 THR 83 2HG2 THR 83 -16.347 5.187 0.693 646 3HG2 THR 83 3HG2 THR 83 -17.366 3.753 0.572 647 H ASN 84 H ASN 84 -17.227 6.365 -3.896 648 HA ASN 84 HA ASN 84 -19.505 5.130 -5.130 649 1HB ASN 84 2HB ASN 84 -17.799 7.517 -5.788 650 2HB ASN 84 1HB ASN 84 -19.015 6.931 -6.919 651 1HD2 ASN 84 1HD2 ASN 84 -21.121 7.360 -6.558 652 2HD2 ASN 84 2HD2 ASN 84 -21.708 8.287 -5.223 653 H GLY 85 H GLY 85 -16.278 4.380 -5.216 654 1HA GLY 85 2HA GLY 85 -15.238 2.743 -6.493 655 2HA GLY 85 1HA GLY 85 -16.643 2.712 -7.545 656 H THR 86 H THR 86 -15.008 5.695 -6.790 657 HA THR 86 HA THR 86 -14.108 5.835 -9.586 658 HB THR 86 HB THR 86 -14.090 8.336 -8.055 659 HG1 THR 86 1HG THR 86 -16.486 6.877 -8.386 660 1HG2 THR 86 1HG2 THR 86 -14.672 7.434 -10.746 661 2HG2 THR 86 2HG2 THR 86 -14.132 9.011 -10.167 662 3HG2 THR 86 3HG2 THR 86 -15.848 8.605 -10.151 663 H ARG 87 H ARG 87 -12.117 7.178 -9.939 664 HA ARG 87 HA ARG 87 -10.009 6.165 -8.269 665 1HB ARG 87 2HB ARG 87 -9.463 8.250 -10.327 666 2HB ARG 87 1HB ARG 87 -8.553 6.799 -9.929 667 1HG ARG 87 2HG ARG 87 -10.884 5.765 -10.921 668 2HG ARG 87 1HG ARG 87 -10.657 7.213 -11.906 669 1HD ARG 87 2HD ARG 87 -8.293 5.478 -11.453 670 2HD ARG 87 1HD ARG 87 -9.553 4.869 -12.525 671 HE ARG 87 HE ARG 87 -8.952 7.497 -13.272 672 1HH1 ARG 87 1HH1 ARG 87 -7.460 4.343 -13.245 673 2HH1 ARG 87 2HH1 ARG 87 -6.453 4.670 -14.616 674 1HH2 ARG 87 1HH2 ARG 87 -7.630 7.929 -15.075 675 2HH2 ARG 87 2HH2 ARG 87 -6.548 6.706 -15.654 676 H ILE 88 H ILE 88 -9.070 7.134 -6.600 677 HA ILE 88 HA ILE 88 -9.766 9.934 -6.055 678 HB ILE 88 HB ILE 88 -8.803 7.753 -4.206 679 1HG1 ILE 88 2HG1 ILE 88 -11.178 7.646 -4.940 680 2HG1 ILE 88 1HG1 ILE 88 -11.004 7.916 -3.208 681 1HG2 ILE 88 1HG2 ILE 88 -8.030 9.348 -2.863 682 2HG2 ILE 88 2HG2 ILE 88 -9.692 9.908 -2.675 683 3HG2 ILE 88 3HG2 ILE 88 -8.656 10.618 -3.914 684 1HD1 ILE 88 1HD1 ILE 88 -12.259 9.565 -5.240 685 2HD1 ILE 88 2HD1 ILE 88 -11.134 10.464 -4.222 686 3HD1 ILE 88 3HD1 ILE 88 -12.463 9.567 -3.487 687 H LEU 89 H LEU 89 -6.983 7.829 -5.273 688 HA LEU 89 HA LEU 89 -5.211 9.925 -6.308 689 1HB LEU 89 2HB LEU 89 -5.233 10.405 -3.998 690 2HB LEU 89 1HB LEU 89 -5.159 8.710 -3.561 691 HG LEU 89 HG LEU 89 -2.850 9.773 -5.084 692 1HD1 LEU 89 1HD1 LEU 89 -3.471 10.581 -2.253 693 2HD1 LEU 89 2HD1 LEU 89 -3.142 11.630 -3.632 694 3HD1 LEU 89 3HD1 LEU 89 -1.853 10.636 -2.953 695 1HD2 LEU 89 1HD2 LEU 89 -2.127 7.774 -4.428 696 2HD2 LEU 89 2HD2 LEU 89 -3.499 7.565 -3.342 697 3HD2 LEU 89 3HD2 LEU 89 -2.054 8.407 -2.785 698 H ASN 90 H ASN 90 -3.674 9.174 -7.570 699 HA ASN 90 HA ASN 90 -2.946 6.323 -7.403 700 1HB ASN 90 2HB ASN 90 -4.124 6.897 -9.504 701 2HB ASN 90 1HB ASN 90 -2.909 8.126 -9.840 702 1HD2 ASN 90 1HD2 ASN 90 -2.697 4.787 -8.667 703 2HD2 ASN 90 2HD2 ASN 90 -1.631 4.237 -9.910 704 H LYS 91 H LYS 91 -1.067 6.252 -6.318 705 HA LYS 91 HA LYS 91 0.993 8.240 -7.036 706 1HB LYS 91 2HB LYS 91 0.556 6.824 -4.406 707 2HB LYS 91 1HB LYS 91 1.936 7.850 -4.763 708 1HG LYS 91 2HG LYS 91 -0.755 9.008 -5.185 709 2HG LYS 91 1HG LYS 91 -0.234 8.738 -3.521 710 1HD LYS 91 2HD LYS 91 0.419 10.948 -4.082 711 2HD LYS 91 1HD LYS 91 1.887 9.970 -4.110 712 1HE LYS 91 2HE LYS 91 1.933 9.923 -6.466 713 2HE LYS 91 1HE LYS 91 0.275 10.511 -6.588 714 1HZ LYS 91 1HZ LYS 91 2.172 12.246 -5.221 715 2HZ LYS 91 2HZ LYS 91 0.912 12.640 -6.278 716 3HZ LYS 91 3HZ LYS 91 2.383 12.076 -6.891 717 H ALA 92 H ALA 92 3.221 7.571 -6.780 718 HA ALA 92 HA ALA 92 3.757 4.713 -7.019 719 1HB ALA 92 1HB ALA 92 5.223 5.172 -9.013 720 2HB ALA 92 2HB ALA 92 4.459 6.759 -9.116 721 3HB ALA 92 3HB ALA 92 3.490 5.299 -9.312 722 H LEU 93 H LEU 93 5.411 4.251 -5.699 723 HA LEU 93 HA LEU 93 7.380 6.379 -5.151 724 1HB LEU 93 2HB LEU 93 6.837 4.196 -3.186 725 2HB LEU 93 1HB LEU 93 7.465 5.808 -2.909 726 HG LEU 93 HG LEU 93 5.113 6.632 -3.559 727 1HD1 LEU 93 1HD1 LEU 93 4.740 3.701 -3.468 728 2HD1 LEU 93 2HD1 LEU 93 3.888 4.929 -4.405 729 3HD1 LEU 93 3HD1 LEU 93 3.494 4.687 -2.703 730 1HD2 LEU 93 1HD2 LEU 93 5.741 6.941 -1.343 731 2HD2 LEU 93 2HD2 LEU 93 5.849 5.209 -1.029 732 3HD2 LEU 93 3HD2 LEU 93 4.271 5.974 -1.213 733 H ASP 94 H ASP 94 9.535 5.709 -4.636 734 HA ASP 94 HA ASP 94 10.276 3.193 -5.966 735 1HB ASP 94 2HB ASP 94 11.865 5.724 -5.494 736 2HB ASP 94 1HB ASP 94 12.542 4.247 -6.175 737 H LEU 95 H LEU 95 10.602 1.600 -4.537 738 HA LEU 95 HA LEU 95 11.690 2.263 -1.901 739 1HB LEU 95 2HB LEU 95 9.600 0.623 -2.680 740 2HB LEU 95 1HB LEU 95 10.890 -0.512 -2.336 741 HG LEU 95 HG LEU 95 9.741 1.525 -0.433 742 1HD1 LEU 95 1HD1 LEU 95 8.703 -0.875 -1.098 743 2HD1 LEU 95 2HD1 LEU 95 8.520 -0.115 0.483 744 3HD1 LEU 95 3HD1 LEU 95 9.770 -1.332 0.228 745 1HD2 LEU 95 1HD2 LEU 95 11.345 1.032 1.111 746 2HD2 LEU 95 2HD2 LEU 95 12.301 0.906 -0.365 747 3HD2 LEU 95 3HD2 LEU 95 11.685 -0.553 0.416 748 H ARG 96 H ARG 96 13.904 2.340 -2.164 749 HA ARG 96 HA ARG 96 15.227 0.148 -3.565 750 1HB ARG 96 2HB ARG 96 16.988 2.136 -2.311 751 2HB ARG 96 1HB ARG 96 16.933 1.538 -3.956 752 1HG ARG 96 2HG ARG 96 15.130 3.662 -2.836 753 2HG ARG 96 1HG ARG 96 16.527 3.930 -3.875 754 1HD ARG 96 2HD ARG 96 13.875 2.719 -4.535 755 2HD ARG 96 1HD ARG 96 14.766 3.983 -5.379 756 HE ARG 96 HE ARG 96 14.941 1.184 -5.837 757 1HH1 ARG 96 1HH1 ARG 96 16.827 4.121 -5.847 758 2HH1 ARG 96 2HH1 ARG 96 17.966 3.533 -7.011 759 1HH2 ARG 96 1HH2 ARG 96 16.439 0.410 -7.367 760 2HH2 ARG 96 2HH2 ARG 96 17.746 1.427 -7.875 761 H ILE 97 H ILE 97 15.956 -1.568 -2.550 762 HA ILE 97 HA ILE 97 16.296 -1.446 0.367 763 HB ILE 97 HB ILE 97 16.177 -4.033 -1.119 764 1HG1 ILE 97 2HG1 ILE 97 14.258 -2.897 -2.019 765 2HG1 ILE 97 1HG1 ILE 97 13.688 -4.022 -0.789 766 1HG2 ILE 97 1HG2 ILE 97 14.933 -3.383 1.521 767 2HG2 ILE 97 2HG2 ILE 97 16.667 -3.669 1.388 768 3HG2 ILE 97 3HG2 ILE 97 15.528 -4.927 0.915 769 1HD1 ILE 97 1HD1 ILE 97 13.526 -1.111 -0.901 770 2HD1 ILE 97 2HD1 ILE 97 14.033 -1.752 0.663 771 3HD1 ILE 97 3HD1 ILE 97 12.511 -2.279 -0.057 772 H LEU 98 H LEU 98 18.313 -1.335 1.065 773 HA LEU 98 HA LEU 98 20.562 -1.948 -0.544 774 1HB LEU 98 2HB LEU 98 19.998 -0.881 2.154 775 2HB LEU 98 1HB LEU 98 21.549 -1.648 1.936 776 HG LEU 98 HG LEU 98 20.484 0.685 0.362 777 1HD1 LEU 98 1HD1 LEU 98 22.710 1.616 1.464 778 2HD1 LEU 98 2HD1 LEU 98 22.307 0.408 2.686 779 3HD1 LEU 98 3HD1 LEU 98 21.155 1.683 2.292 780 1HD2 LEU 98 1HD2 LEU 98 22.851 -1.077 -0.009 781 2HD2 LEU 98 2HD2 LEU 98 23.025 0.645 -0.344 782 3HD2 LEU 98 3HD2 LEU 98 21.817 -0.304 -1.210 783 H GLU 99 H GLU 99 21.497 -3.854 -0.773 784 HA GLU 99 HA GLU 99 20.743 -6.046 1.012 785 1HB GLU 99 2HB GLU 99 22.313 -6.265 -1.552 786 2HB GLU 99 1HB GLU 99 21.449 -7.540 -0.704 787 1HG GLU 99 2HG GLU 99 19.876 -7.157 -2.248 788 2HG GLU 99 1HG GLU 99 19.427 -5.824 -1.183 Start of MODEL 2 1 1H ARG 1 1H ARG 1 8.772 8.849 -14.066 2 2H ARG 1 2H ARG 1 10.446 9.223 -14.122 3 3H ARG 1 3H ARG 1 9.361 9.971 -15.221 4 HA ARG 1 HA ARG 1 9.983 11.472 -13.502 5 1HB ARG 1 2HB ARG 1 7.209 10.442 -13.825 6 2HB ARG 1 1HB ARG 1 7.488 11.615 -12.546 7 1HG ARG 1 2HG ARG 1 8.712 12.904 -14.514 8 2HG ARG 1 1HG ARG 1 7.593 11.947 -15.487 9 1HD ARG 1 2HD ARG 1 5.894 12.820 -13.618 10 2HD ARG 1 1HD ARG 1 7.058 14.143 -13.573 11 HE ARG 1 HE ARG 1 6.481 13.721 -16.237 12 1HH1 ARG 1 1HH1 ARG 1 4.706 14.599 -13.363 13 2HH1 ARG 1 2HH1 ARG 1 3.526 15.529 -14.224 14 1HH2 ARG 1 1HH2 ARG 1 4.930 14.944 -17.372 15 2HH2 ARG 1 2HH2 ARG 1 3.653 15.725 -16.500 16 H ASP 2 H ASP 2 11.196 11.177 -11.730 17 HA ASP 2 HA ASP 2 10.846 9.143 -9.824 18 1HB ASP 2 2HB ASP 2 12.457 11.637 -10.004 19 2HB ASP 2 1HB ASP 2 12.239 10.935 -8.403 20 H SER 3 H SER 3 8.739 9.076 -9.080 21 HA SER 3 HA SER 3 7.416 11.373 -8.006 22 1HB SER 3 2HB SER 3 6.810 8.477 -8.282 23 2HB SER 3 1HB SER 3 5.957 9.349 -7.010 24 HG SER 3 HG SER 3 5.050 10.666 -8.507 25 H GLY 4 H GLY 4 8.258 8.319 -6.362 26 1HA GLY 4 2HA GLY 4 9.165 9.913 -4.056 27 2HA GLY 4 1HA GLY 4 7.991 8.626 -3.824 28 H THR 5 H THR 5 10.463 8.716 -2.509 29 HA THR 5 HA THR 5 11.622 6.209 -3.463 30 HB THR 5 HB THR 5 13.393 8.524 -2.696 31 HG1 THR 5 1HG THR 5 12.615 7.709 -5.298 32 1HG2 THR 5 1HG2 THR 5 15.009 7.027 -2.806 33 2HG2 THR 5 2HG2 THR 5 14.639 6.801 -4.516 34 3HG2 THR 5 3HG2 THR 5 13.869 5.776 -3.305 35 H VAL 6 H VAL 6 12.629 4.999 -1.903 36 HA VAL 6 HA VAL 6 12.542 5.983 0.846 37 HB VAL 6 HB VAL 6 10.473 4.535 0.003 38 1HG1 VAL 6 1HG1 VAL 6 12.138 2.782 -0.679 39 2HG1 VAL 6 2HG1 VAL 6 10.688 2.268 0.184 40 3HG1 VAL 6 3HG1 VAL 6 12.230 2.383 1.035 41 1HG2 VAL 6 1HG2 VAL 6 11.864 4.342 2.666 42 2HG2 VAL 6 2HG2 VAL 6 10.285 3.622 2.362 43 3HG2 VAL 6 3HG2 VAL 6 10.497 5.367 2.225 44 H TRP 7 H TRP 7 14.079 5.101 2.189 45 HA TRP 7 HA TRP 7 16.006 3.292 0.895 46 1HB TRP 7 2HB TRP 7 16.446 5.317 3.102 47 2HB TRP 7 1HB TRP 7 17.684 4.252 2.437 48 HD1 TRP 7 HD TRP 7 15.560 7.312 1.502 49 HE1 TRP 7 1HE TRP 7 16.654 8.477 -0.517 50 HE3 TRP 7 3HE TRP 7 19.202 3.880 0.475 51 HZ2 TRP 7 2HZ TRP 7 18.789 8.002 -2.304 52 HZ3 TRP 7 3HZ TRP 7 20.733 4.310 -1.406 53 HH2 TRP 7 HH TRP 7 20.529 6.329 -2.766 54 H GLY 8 H GLY 8 16.366 1.343 1.756 55 1HA GLY 8 2HA GLY 8 15.771 0.895 4.590 56 2HA GLY 8 1HA GLY 8 14.799 -0.019 3.452 57 H ALA 9 H ALA 9 16.023 -1.628 5.033 58 HA ALA 9 HA ALA 9 18.393 -2.554 3.547 59 1HB ALA 9 1HB ALA 9 19.346 -3.381 5.649 60 2HB ALA 9 2HB ALA 9 18.011 -2.643 6.535 61 3HB ALA 9 3HB ALA 9 19.152 -1.628 5.652 62 H LEU 10 H LEU 10 18.402 -4.642 2.972 63 HA LEU 10 HA LEU 10 16.054 -6.150 2.976 64 1HB LEU 10 2HB LEU 10 18.500 -6.365 1.778 65 2HB LEU 10 1HB LEU 10 18.544 -7.716 2.895 66 HG LEU 10 HG LEU 10 16.249 -8.355 1.883 67 1HD1 LEU 10 1HD1 LEU 10 15.505 -6.727 0.504 68 2HD1 LEU 10 2HD1 LEU 10 16.499 -7.584 -0.673 69 3HD1 LEU 10 3HD1 LEU 10 17.128 -6.148 0.132 70 1HD2 LEU 10 1HD2 LEU 10 18.617 -9.363 1.544 71 2HD2 LEU 10 2HD2 LEU 10 18.501 -8.625 -0.053 72 3HD2 LEU 10 3HD2 LEU 10 17.305 -9.817 0.457 73 H GLY 11 H GLY 11 15.136 -7.560 4.325 74 1HA GLY 11 2HA GLY 11 15.013 -9.113 6.072 75 2HA GLY 11 1HA GLY 11 16.665 -8.711 6.517 76 H HIS 12 H HIS 12 15.326 -5.776 6.160 77 HA HIS 12 HA HIS 12 14.510 -5.678 8.983 78 1HB HIS 12 2HB HIS 12 16.269 -4.239 9.015 79 2HB HIS 12 1HB HIS 12 16.213 -3.974 7.278 80 HD1 HIS 12 1HD HIS 12 14.757 -2.056 6.421 81 HD2 HIS 12 2HD HIS 12 14.917 -2.343 10.557 82 HE1 HIS 12 1HE HIS 12 13.897 0.154 7.283 83 HE2 HIS 12 2HE HIS 12 14.087 -0.014 9.790 84 H GLY 13 H GLY 13 12.949 -3.798 9.427 85 1HA GLY 13 2HA GLY 13 10.615 -4.228 7.826 86 2HA GLY 13 1HA GLY 13 10.756 -3.112 9.177 87 H ILE 14 H ILE 14 9.317 -1.885 7.642 88 HA ILE 14 HA ILE 14 10.367 0.420 6.756 89 HB ILE 14 HB ILE 14 11.813 -0.802 5.194 90 1HG1 ILE 14 2HG1 ILE 14 10.563 0.333 3.028 91 2HG1 ILE 14 1HG1 ILE 14 9.874 1.229 4.376 92 1HG2 ILE 14 1HG2 ILE 14 10.753 -2.736 4.566 93 2HG2 ILE 14 2HG2 ILE 14 10.554 -1.744 3.121 94 3HG2 ILE 14 3HG2 ILE 14 9.221 -1.919 4.258 95 1HD1 ILE 14 1HD1 ILE 14 12.807 0.850 4.363 96 2HD1 ILE 14 2HD1 ILE 14 11.838 2.225 4.895 97 3HD1 ILE 14 3HD1 ILE 14 12.118 1.957 3.175 98 H ASP 15 H ASP 15 8.747 1.776 6.161 99 HA ASP 15 HA ASP 15 6.185 0.524 5.417 100 1HB ASP 15 2HB ASP 15 6.173 1.467 7.699 101 2HB ASP 15 1HB ASP 15 6.608 3.041 7.040 102 H LEU 16 H LEU 16 5.233 1.179 3.609 103 HA LEU 16 HA LEU 16 6.497 3.275 2.032 104 1HB LEU 16 2HB LEU 16 4.867 0.916 1.513 105 2HB LEU 16 1HB LEU 16 4.284 2.305 0.630 106 HG LEU 16 HG LEU 16 5.869 2.078 -0.920 107 1HD1 LEU 16 1HD1 LEU 16 7.539 3.247 0.307 108 2HD1 LEU 16 2HD1 LEU 16 8.293 1.819 -0.397 109 3HD1 LEU 16 3HD1 LEU 16 7.873 1.835 1.314 110 1HD2 LEU 16 1HD2 LEU 16 6.596 -0.048 -1.310 111 2HD2 LEU 16 2HD2 LEU 16 5.350 -0.359 -0.101 112 3HD2 LEU 16 3HD2 LEU 16 7.049 -0.324 0.372 113 H ASP 17 H ASP 17 5.879 5.287 2.569 114 HA ASP 17 HA ASP 17 3.157 5.783 3.445 115 1HB ASP 17 2HB ASP 17 5.583 7.566 3.251 116 2HB ASP 17 1HB ASP 17 3.997 8.132 3.770 117 H ILE 18 H ILE 18 1.588 6.426 2.195 118 HA ILE 18 HA ILE 18 2.008 7.042 -0.580 119 HB ILE 18 HB ILE 18 -0.519 7.088 1.061 120 1HG1 ILE 18 2HG1 ILE 18 0.939 4.932 -0.398 121 2HG1 ILE 18 1HG1 ILE 18 0.134 4.863 1.155 122 1HG2 ILE 18 1HG2 ILE 18 -0.319 6.819 -1.923 123 2HG2 ILE 18 2HG2 ILE 18 -0.501 8.381 -1.125 124 3HG2 ILE 18 3HG2 ILE 18 -1.747 7.147 -0.941 125 1HD1 ILE 18 1HD1 ILE 18 -1.176 3.575 -0.279 126 2HD1 ILE 18 2HD1 ILE 18 -1.113 4.792 -1.555 127 3HD1 ILE 18 3HD1 ILE 18 -2.040 5.101 -0.086 128 HA PRO 19 HA PRO 19 2.465 11.451 0.200 129 1HB PRO 19 2HB PRO 19 2.015 11.599 -2.728 130 2HB PRO 19 1HB PRO 19 3.347 12.238 -1.759 131 1HG PRO 19 2HG PRO 19 3.694 10.096 -3.305 132 2HG PRO 19 1HG PRO 19 4.461 10.203 -1.709 133 1HD PRO 19 2HD PRO 19 2.027 8.676 -2.545 134 2HD PRO 19 1HD PRO 19 3.339 8.190 -1.452 135 H ASN 20 H ASN 20 0.984 12.867 0.778 136 HA ASN 20 HA ASN 20 -1.082 13.757 1.188 137 1HB ASN 20 2HB ASN 20 -0.127 14.629 -1.145 138 2HB ASN 20 1HB ASN 20 -1.611 13.881 -1.732 139 1HD2 ASN 20 1HD2 ASN 20 -3.524 14.416 -0.130 140 2HD2 ASN 20 2HD2 ASN 20 -3.706 16.103 0.198 141 H PHE 21 H PHE 21 -1.732 11.409 1.854 142 HA PHE 21 HA PHE 21 -4.258 10.857 0.521 143 1HB PHE 21 2HB PHE 21 -3.055 9.199 -0.529 144 2HB PHE 21 1HB PHE 21 -1.965 8.971 0.829 145 HD1 PHE 21 1HD PHE 21 -5.556 8.546 -0.053 146 HD2 PHE 21 2HD PHE 21 -2.193 7.088 2.081 147 HE1 PHE 21 1HE PHE 21 -6.875 6.597 0.688 148 HE2 PHE 21 2HE PHE 21 -3.490 5.131 2.821 149 HZ PHE 21 HZ PHE 21 -5.839 4.885 2.121 150 H GLN 22 H GLN 22 -5.822 9.896 1.867 151 HA GLN 22 HA GLN 22 -5.105 9.527 4.683 152 1HB GLN 22 2HB GLN 22 -6.986 11.548 3.567 153 2HB GLN 22 1HB GLN 22 -7.443 10.747 5.064 154 1HG GLN 22 2HG GLN 22 -4.865 11.439 5.582 155 2HG GLN 22 1HG GLN 22 -5.396 12.772 4.557 156 1HE2 GLN 22 1HE2 GLN 22 -4.700 12.945 7.305 157 2HE2 GLN 22 2HE2 GLN 22 -6.108 13.453 8.169 158 H MET 23 H MET 23 -5.772 7.579 5.264 159 HA MET 23 HA MET 23 -7.788 6.176 3.758 160 1HB MET 23 2HB MET 23 -5.732 5.085 4.683 161 2HB MET 23 1HB MET 23 -6.396 5.310 6.296 162 1HG MET 23 2HG MET 23 -8.182 3.967 4.394 163 2HG MET 23 1HG MET 23 -6.711 3.084 4.797 164 1HE MET 23 1HE MET 23 -9.762 2.076 5.462 165 2HE MET 23 2HE MET 23 -9.419 1.342 7.029 166 3HE MET 23 3HE MET 23 -8.275 1.158 5.700 167 H THR 24 H THR 24 -9.588 7.585 4.198 168 HA THR 24 HA THR 24 -10.726 7.206 6.890 169 HB THR 24 HB THR 24 -12.159 9.284 5.882 170 HG1 THR 24 1HG THR 24 -10.968 10.515 4.605 171 1HG2 THR 24 1HG2 THR 24 -11.028 9.237 8.068 172 2HG2 THR 24 2HG2 THR 24 -10.843 10.775 7.224 173 3HG2 THR 24 3HG2 THR 24 -9.509 9.622 7.260 174 H ASP 25 H ASP 25 -13.300 7.808 6.553 175 HA ASP 25 HA ASP 25 -14.433 5.516 5.460 176 1HB ASP 25 2HB ASP 25 -15.562 8.190 6.234 177 2HB ASP 25 1HB ASP 25 -16.591 6.965 5.500 178 H ASP 26 H ASP 26 -13.694 8.594 3.986 179 HA ASP 26 HA ASP 26 -15.293 8.381 1.687 180 1HB ASP 26 2HB ASP 26 -13.693 10.312 2.672 181 2HB ASP 26 1HB ASP 26 -12.637 9.674 1.414 182 H ILE 27 H ILE 27 -12.271 6.897 2.558 183 HA ILE 27 HA ILE 27 -11.711 6.025 -0.141 184 HB ILE 27 HB ILE 27 -10.322 5.397 2.467 185 1HG1 ILE 27 2HG1 ILE 27 -10.097 7.741 1.994 186 2HG1 ILE 27 1HG1 ILE 27 -8.595 6.969 1.545 187 1HG2 ILE 27 1HG2 ILE 27 -9.449 4.878 -0.371 188 2HG2 ILE 27 2HG2 ILE 27 -9.928 3.661 0.813 189 3HG2 ILE 27 3HG2 ILE 27 -8.469 4.616 1.071 190 1HD1 ILE 27 1HD1 ILE 27 -10.610 8.302 -0.134 191 2HD1 ILE 27 2HD1 ILE 27 -9.839 6.871 -0.815 192 3HD1 ILE 27 3HD1 ILE 27 -8.854 8.239 -0.295 193 H ASP 28 H ASP 28 -12.426 4.051 -0.965 194 HA ASP 28 HA ASP 28 -13.544 2.144 0.962 195 1HB ASP 28 2HB ASP 28 -14.723 3.352 -1.268 196 2HB ASP 28 1HB ASP 28 -14.395 1.697 -1.765 197 H GLU 29 H GLU 29 -11.640 2.369 -2.071 198 HA GLU 29 HA GLU 29 -10.721 -0.372 -1.455 199 1HB GLU 29 2HB GLU 29 -12.201 -0.258 -3.445 200 2HB GLU 29 1HB GLU 29 -11.039 0.809 -4.213 201 1HG GLU 29 2HG GLU 29 -9.373 -0.927 -4.217 202 2HG GLU 29 1HG GLU 29 -10.444 -1.997 -3.313 203 H VAL 30 H VAL 30 -8.661 -0.411 -0.859 204 HA VAL 30 HA VAL 30 -6.789 1.532 -2.056 205 HB VAL 30 HB VAL 30 -6.199 0.039 0.491 206 1HG1 VAL 30 1HG1 VAL 30 -5.046 2.461 0.713 207 2HG1 VAL 30 2HG1 VAL 30 -5.037 2.268 -1.039 208 3HG1 VAL 30 3HG1 VAL 30 -4.260 1.060 -0.017 209 1HG2 VAL 30 1HG2 VAL 30 -8.376 1.214 0.759 210 2HG2 VAL 30 2HG2 VAL 30 -7.564 2.727 0.356 211 3HG2 VAL 30 3HG2 VAL 30 -7.102 1.838 1.808 212 H ARG 31 H ARG 31 -5.607 0.591 -3.621 213 HA ARG 31 HA ARG 31 -4.894 -2.247 -3.294 214 1HB ARG 31 2HB ARG 31 -4.596 -0.964 -5.951 215 2HB ARG 31 1HB ARG 31 -5.128 -2.586 -5.533 216 1HG ARG 31 2HG ARG 31 -7.271 -1.483 -4.694 217 2HG ARG 31 1HG ARG 31 -6.722 -0.048 -5.562 218 1HD ARG 31 2HD ARG 31 -8.035 -1.090 -7.149 219 2HD ARG 31 1HD ARG 31 -6.428 -1.691 -7.555 220 HE ARG 31 HE ARG 31 -7.784 -3.411 -5.729 221 1HH1 ARG 31 1HH1 ARG 31 -7.548 -2.537 -9.099 222 2HH1 ARG 31 2HH1 ARG 31 -8.094 -4.077 -9.667 223 1HH2 ARG 31 1HH2 ARG 31 -8.503 -5.441 -6.475 224 2HH2 ARG 31 2HH2 ARG 31 -8.637 -5.727 -8.177 225 H TRP 32 H TRP 32 -2.861 -2.855 -3.153 226 HA TRP 32 HA TRP 32 -0.735 -0.878 -3.658 227 1HB TRP 32 2HB TRP 32 -0.976 -3.105 -1.642 228 2HB TRP 32 1HB TRP 32 0.598 -2.477 -2.110 229 HD1 TRP 32 HD TRP 32 -2.552 -1.510 -0.160 230 HE1 TRP 32 1HE TRP 32 -2.018 0.555 1.283 231 HE3 TRP 32 3HE TRP 32 2.092 -0.425 -1.991 232 HZ2 TRP 32 2HZ TRP 32 0.099 2.410 1.593 233 HZ3 TRP 32 3HZ TRP 32 3.302 1.510 -1.075 234 HH2 TRP 32 HH TRP 32 2.326 2.896 0.681 235 H GLU 33 H GLU 33 -0.681 -1.469 -5.892 236 HA GLU 33 HA GLU 33 0.126 -4.227 -6.456 237 1HB GLU 33 2HB GLU 33 -0.693 -2.034 -8.363 238 2HB GLU 33 1HB GLU 33 -0.359 -3.705 -8.797 239 1HG GLU 33 2HG GLU 33 -2.302 -4.485 -7.832 240 2HG GLU 33 1HG GLU 33 -2.456 -3.089 -6.766 241 H ARG 34 H ARG 34 1.859 -4.711 -7.828 242 HA ARG 34 HA ARG 34 3.841 -2.635 -8.335 243 1HB ARG 34 2HB ARG 34 4.342 -3.635 -6.085 244 2HB ARG 34 1HB ARG 34 4.552 -5.190 -6.880 245 1HG ARG 34 2HG ARG 34 6.130 -3.021 -8.051 246 2HG ARG 34 1HG ARG 34 6.540 -3.405 -6.378 247 1HD ARG 34 2HD ARG 34 7.844 -4.984 -7.300 248 2HD ARG 34 1HD ARG 34 6.338 -5.889 -7.444 249 HE ARG 34 HE ARG 34 6.419 -4.455 -9.735 250 1HH1 ARG 34 1HH1 ARG 34 8.699 -6.580 -8.167 251 2HH1 ARG 34 2HH1 ARG 34 9.424 -7.103 -9.650 252 1HH2 ARG 34 1HH2 ARG 34 7.370 -5.141 -11.688 253 2HH2 ARG 34 2HH2 ARG 34 8.669 -6.286 -11.649 254 H GLY 35 H GLY 35 4.299 -2.839 -10.438 255 1HA GLY 35 2HA GLY 35 4.697 -3.795 -12.495 256 2HA GLY 35 1HA GLY 35 5.322 -5.172 -11.605 257 H SER 36 H SER 36 4.348 -7.005 -12.020 258 HA SER 36 HA SER 36 1.523 -6.951 -12.858 259 1HB SER 36 2HB SER 36 3.573 -7.841 -14.376 260 2HB SER 36 1HB SER 36 3.166 -9.329 -13.520 261 HG SER 36 HG SER 36 1.441 -7.723 -15.101 262 H THR 37 H THR 37 2.142 -6.965 -10.151 263 HA THR 37 HA THR 37 0.977 -9.511 -9.363 264 HB THR 37 HB THR 37 3.607 -8.520 -8.246 265 HG1 THR 37 1HG THR 37 4.418 -9.839 -9.634 266 1HG2 THR 37 1HG2 THR 37 2.387 -9.464 -6.422 267 2HG2 THR 37 2HG2 THR 37 3.614 -10.620 -6.940 268 3HG2 THR 37 3HG2 THR 37 1.927 -10.864 -7.393 269 H LEU 38 H LEU 38 0.217 -9.502 -7.114 270 HA LEU 38 HA LEU 38 -0.483 -6.768 -6.249 271 1HB LEU 38 2HB LEU 38 -1.927 -9.343 -6.203 272 2HB LEU 38 1HB LEU 38 -2.052 -8.406 -4.737 273 HG LEU 38 HG LEU 38 -2.828 -7.393 -7.475 274 1HD1 LEU 38 1HD1 LEU 38 -4.637 -8.659 -7.159 275 2HD1 LEU 38 2HD1 LEU 38 -5.070 -7.513 -5.890 276 3HD1 LEU 38 3HD1 LEU 38 -4.210 -9.001 -5.480 277 1HD2 LEU 38 1HD2 LEU 38 -2.036 -5.822 -5.511 278 2HD2 LEU 38 2HD2 LEU 38 -3.658 -6.147 -4.903 279 3HD2 LEU 38 3HD2 LEU 38 -3.442 -5.419 -6.493 280 H VAL 39 H VAL 39 -0.199 -6.162 -4.102 281 HA VAL 39 HA VAL 39 1.494 -7.972 -2.521 282 HB VAL 39 HB VAL 39 1.569 -4.961 -2.743 283 1HG1 VAL 39 1HG1 VAL 39 2.974 -6.732 -0.749 284 2HG1 VAL 39 2HG1 VAL 39 1.756 -5.502 -0.404 285 3HG1 VAL 39 3HG1 VAL 39 3.340 -5.028 -1.021 286 1HG2 VAL 39 1HG2 VAL 39 2.826 -6.736 -4.294 287 2HG2 VAL 39 2HG2 VAL 39 3.974 -6.694 -2.956 288 3HG2 VAL 39 3HG2 VAL 39 3.576 -5.209 -3.821 289 H ALA 40 H ALA 40 -0.983 -5.459 -2.419 290 HA ALA 40 HA ALA 40 -2.373 -6.769 -0.302 291 1HB ALA 40 1HB ALA 40 -2.187 -5.004 1.384 292 2HB ALA 40 2HB ALA 40 -1.008 -4.167 0.373 293 3HB ALA 40 3HB ALA 40 -0.626 -5.752 1.045 294 H GLU 41 H GLU 41 -4.365 -6.558 -1.038 295 HA GLU 41 HA GLU 41 -5.256 -3.908 -1.960 296 1HB GLU 41 2HB GLU 41 -5.293 -6.400 -3.340 297 2HB GLU 41 1HB GLU 41 -6.958 -5.937 -3.010 298 1HG GLU 41 2HG GLU 41 -6.669 -3.849 -4.133 299 2HG GLU 41 1HG GLU 41 -4.937 -4.130 -4.305 300 H PHE 42 H PHE 42 -6.639 -3.010 -0.620 301 HA PHE 42 HA PHE 42 -8.315 -4.723 1.077 302 1HB PHE 42 2HB PHE 42 -6.969 -3.221 2.372 303 2HB PHE 42 1HB PHE 42 -7.417 -1.852 1.361 304 HD1 PHE 42 1HD PHE 42 -9.709 -0.930 1.482 305 HD2 PHE 42 2HD PHE 42 -8.332 -3.917 4.183 306 HE1 PHE 42 1HE PHE 42 -11.564 -0.399 3.006 307 HE2 PHE 42 2HE PHE 42 -10.186 -3.390 5.714 308 HZ PHE 42 HZ PHE 42 -11.805 -1.629 5.126 309 H LYS 43 H LYS 43 -10.536 -4.365 1.248 310 HA LYS 43 HA LYS 43 -11.773 -2.388 -0.497 311 1HB LYS 43 2HB LYS 43 -11.554 -5.154 -1.202 312 2HB LYS 43 1HB LYS 43 -13.246 -4.782 -0.901 313 1HG LYS 43 2HG LYS 43 -12.112 -2.688 -2.467 314 2HG LYS 43 1HG LYS 43 -11.716 -4.240 -3.207 315 1HD LYS 43 2HD LYS 43 -13.827 -3.376 -4.071 316 2HD LYS 43 1HD LYS 43 -14.084 -4.865 -3.159 317 1HE LYS 43 2HE LYS 43 -14.884 -3.640 -1.263 318 2HE LYS 43 1HE LYS 43 -14.436 -2.104 -2.004 319 1HZ LYS 43 1HZ LYS 43 -16.614 -2.126 -2.548 320 2HZ LYS 43 2HZ LYS 43 -16.739 -3.813 -2.520 321 3HZ LYS 43 3HZ LYS 43 -16.060 -3.036 -3.861 322 H ARG 44 H ARG 44 -13.649 -1.605 0.301 323 HA ARG 44 HA ARG 44 -14.354 -1.957 2.932 324 1HB ARG 44 2HB ARG 44 -15.060 0.010 1.895 325 2HB ARG 44 1HB ARG 44 -15.858 -0.850 0.595 326 1HG ARG 44 2HG ARG 44 -17.677 -0.213 1.801 327 2HG ARG 44 1HG ARG 44 -17.348 -1.743 2.610 328 1HD ARG 44 2HD ARG 44 -17.752 0.039 4.225 329 2HD ARG 44 1HD ARG 44 -16.103 -0.571 4.347 330 HE ARG 44 HE ARG 44 -15.843 1.538 2.684 331 1HH1 ARG 44 1HH1 ARG 44 -17.328 1.158 5.820 332 2HH1 ARG 44 2HH1 ARG 44 -17.017 2.791 6.303 333 1HH2 ARG 44 1HH2 ARG 44 -15.434 3.687 3.318 334 2HH2 ARG 44 2HH2 ARG 44 -15.943 4.228 4.884 335 H LYS 45 H LYS 45 -16.848 -2.709 0.691 336 HA LYS 45 HA LYS 45 -17.719 -4.919 2.313 337 1HB LYS 45 2HB LYS 45 -18.834 -3.578 -0.141 338 2HB LYS 45 1HB LYS 45 -19.538 -5.054 0.505 339 1HG LYS 45 2HG LYS 45 -19.202 -2.505 2.070 340 2HG LYS 45 1HG LYS 45 -20.683 -2.987 1.242 341 1HD LYS 45 2HD LYS 45 -20.775 -5.021 2.616 342 2HD LYS 45 1HD LYS 45 -19.309 -4.512 3.455 343 1HE LYS 45 2HE LYS 45 -21.492 -2.535 3.385 344 2HE LYS 45 1HE LYS 45 -21.816 -3.992 4.323 345 1HZ LYS 45 1HZ LYS 45 -19.513 -2.151 4.677 346 2HZ LYS 45 2HZ LYS 45 -19.739 -3.590 5.537 347 3HZ LYS 45 3HZ LYS 45 -20.837 -2.315 5.719 348 H MET 46 H MET 46 -15.280 -5.573 1.386 349 HA MET 46 HA MET 46 -15.812 -7.968 -0.088 350 1HB MET 46 2HB MET 46 -14.938 -5.621 -1.521 351 2HB MET 46 1HB MET 46 -13.723 -6.887 -1.630 352 1HG MET 46 2HG MET 46 -15.677 -8.421 -2.275 353 2HG MET 46 1HG MET 46 -16.565 -6.924 -2.560 354 1HE MET 46 1HE MET 46 -16.602 -8.786 -4.521 355 2HE MET 46 2HE MET 46 -15.495 -8.727 -5.893 356 3HE MET 46 3HE MET 46 -16.672 -7.436 -5.653 357 H LYS 47 H LYS 47 -14.151 -9.480 0.074 358 HA LYS 47 HA LYS 47 -12.418 -9.168 2.292 359 1HB LYS 47 2HB LYS 47 -12.714 -11.279 0.169 360 2HB LYS 47 1HB LYS 47 -11.438 -11.373 1.377 361 1HG LYS 47 2HG LYS 47 -14.273 -11.003 2.236 362 2HG LYS 47 1HG LYS 47 -13.688 -12.601 1.768 363 1HD LYS 47 2HD LYS 47 -12.116 -12.658 3.504 364 2HD LYS 47 1HD LYS 47 -12.210 -10.914 3.764 365 1HE LYS 47 2HE LYS 47 -13.347 -12.107 5.551 366 2HE LYS 47 1HE LYS 47 -14.499 -11.169 4.600 367 1HZ LYS 47 1HZ LYS 47 -14.623 -13.486 3.327 368 2HZ LYS 47 2HZ LYS 47 -15.615 -13.112 4.645 369 3HZ LYS 47 3HZ LYS 47 -14.228 -14.053 4.872 370 HA PRO 48 HA PRO 48 -8.967 -7.335 0.175 371 1HB PRO 48 2HB PRO 48 -7.150 -7.450 2.142 372 2HB PRO 48 1HB PRO 48 -8.551 -6.377 2.238 373 1HG PRO 48 2HG PRO 48 -8.113 -9.041 3.526 374 2HG PRO 48 1HG PRO 48 -8.835 -7.572 4.208 375 1HD PRO 48 2HD PRO 48 -10.285 -9.697 3.238 376 2HD PRO 48 1HD PRO 48 -10.893 -8.033 3.323 377 H PHE 49 H PHE 49 -6.555 -7.816 -0.130 378 HA PHE 49 HA PHE 49 -6.062 -10.709 -0.286 379 1HB PHE 49 2HB PHE 49 -6.680 -10.114 -2.516 380 2HB PHE 49 1HB PHE 49 -5.682 -8.665 -2.477 381 HD1 PHE 49 1HD PHE 49 -5.638 -12.334 -2.704 382 HD2 PHE 49 2HD PHE 49 -3.331 -8.760 -2.929 383 HE1 PHE 49 1HE PHE 49 -3.763 -13.604 -3.669 384 HE2 PHE 49 2HE PHE 49 -1.463 -10.021 -3.896 385 HZ PHE 49 HZ PHE 49 -1.672 -12.448 -4.264 386 H LEU 50 H LEU 50 -4.490 -10.937 1.207 387 HA LEU 50 HA LEU 50 -2.284 -9.025 1.255 388 1HB LEU 50 2HB LEU 50 -3.478 -10.929 3.174 389 2HB LEU 50 1HB LEU 50 -1.736 -10.775 3.252 390 HG LEU 50 HG LEU 50 -3.762 -8.572 3.627 391 1HD1 LEU 50 1HD1 LEU 50 -3.661 -9.770 5.618 392 2HD1 LEU 50 2HD1 LEU 50 -2.499 -8.465 5.861 393 3HD1 LEU 50 3HD1 LEU 50 -1.933 -10.086 5.454 394 1HD2 LEU 50 1HD2 LEU 50 -0.917 -8.489 2.937 395 2HD2 LEU 50 2HD2 LEU 50 -1.356 -7.519 4.343 396 3HD2 LEU 50 3HD2 LEU 50 -2.158 -7.247 2.795 397 H LYS 51 H LYS 51 -0.643 -9.493 -0.093 398 HA LYS 51 HA LYS 51 -0.175 -11.779 -1.494 399 1HB LYS 51 2HB LYS 51 1.026 -9.704 -1.910 400 2HB LYS 51 1HB LYS 51 1.903 -9.878 -0.396 401 1HG LYS 51 2HG LYS 51 3.063 -11.804 -1.218 402 2HG LYS 51 1HG LYS 51 2.074 -11.831 -2.680 403 1HD LYS 51 2HD LYS 51 2.979 -9.513 -3.164 404 2HD LYS 51 1HD LYS 51 4.144 -9.801 -1.870 405 1HE LYS 51 2HE LYS 51 3.899 -11.918 -3.916 406 2HE LYS 51 1HE LYS 51 4.613 -10.397 -4.447 407 1HZ LYS 51 1HZ LYS 51 5.632 -12.367 -2.550 408 2HZ LYS 51 2HZ LYS 51 5.969 -10.742 -2.225 409 3HZ LYS 51 3HZ LYS 51 6.463 -11.431 -3.689 410 H SER 52 H SER 52 1.038 -11.047 1.759 411 HA SER 52 HA SER 52 1.062 -13.734 2.568 412 1HB SER 52 2HB SER 52 3.319 -14.376 2.484 413 2HB SER 52 1HB SER 52 3.043 -13.628 0.910 414 HG SER 52 HG SER 52 4.551 -12.268 1.403 415 H GLY 53 H GLY 53 2.175 -14.033 4.686 416 1HA GLY 53 2HA GLY 53 1.399 -12.077 6.492 417 2HA GLY 53 1HA GLY 53 2.522 -13.356 6.908 418 H ALA 54 H ALA 54 4.146 -11.953 4.465 419 HA ALA 54 HA ALA 54 5.862 -10.527 6.243 420 1HB ALA 54 1HB ALA 54 6.259 -10.177 3.350 421 2HB ALA 54 2HB ALA 54 6.277 -11.842 3.932 422 3HB ALA 54 3HB ALA 54 7.400 -10.660 4.605 423 H PHE 55 H PHE 55 2.996 -9.580 5.037 424 HA PHE 55 HA PHE 55 3.814 -6.760 5.043 425 1HB PHE 55 2HB PHE 55 1.757 -7.938 3.171 426 2HB PHE 55 1HB PHE 55 2.228 -6.251 3.265 427 HD1 PHE 55 1HD PHE 55 2.897 -9.414 1.758 428 HD2 PHE 55 2HD PHE 55 4.619 -5.648 2.724 429 HE1 PHE 55 1HE PHE 55 4.647 -9.786 0.068 430 HE2 PHE 55 2HE PHE 55 6.370 -6.007 1.036 431 HZ PHE 55 HZ PHE 55 6.387 -8.081 -0.295 432 H GLU 56 H GLU 56 2.139 -5.273 5.627 433 HA GLU 56 HA GLU 56 -0.313 -6.305 6.752 434 1HB GLU 56 2HB GLU 56 1.996 -5.482 8.425 435 2HB GLU 56 1HB GLU 56 0.421 -4.875 8.920 436 1HG GLU 56 2HG GLU 56 -0.268 -6.877 9.638 437 2HG GLU 56 1HG GLU 56 0.473 -7.732 8.287 438 H ILE 57 H ILE 57 -1.829 -4.916 6.159 439 HA ILE 57 HA ILE 57 -1.165 -2.305 5.198 440 HB ILE 57 HB ILE 57 -2.973 -3.640 4.186 441 1HG1 ILE 57 2HG1 ILE 57 -4.308 -1.203 5.288 442 2HG1 ILE 57 1HG1 ILE 57 -2.840 -1.010 4.336 443 1HG2 ILE 57 1HG2 ILE 57 -3.806 -4.034 6.809 444 2HG2 ILE 57 2HG2 ILE 57 -4.642 -4.543 5.343 445 3HG2 ILE 57 3HG2 ILE 57 -5.044 -3.000 6.096 446 1HD1 ILE 57 1HD1 ILE 57 -5.082 -2.658 3.268 447 2HD1 ILE 57 2HD1 ILE 57 -3.837 -1.756 2.405 448 3HD1 ILE 57 3HD1 ILE 57 -5.163 -0.899 3.188 449 H LEU 58 H LEU 58 -0.471 -0.921 6.724 450 HA LEU 58 HA LEU 58 -1.233 -0.724 9.365 451 1HB LEU 58 2HB LEU 58 0.288 0.810 7.510 452 2HB LEU 58 1HB LEU 58 -0.750 1.911 8.393 453 HG LEU 58 HG LEU 58 0.207 1.292 10.482 454 1HD1 LEU 58 1HD1 LEU 58 2.228 -0.450 10.202 455 2HD1 LEU 58 2HD1 LEU 58 1.124 -1.075 8.976 456 3HD1 LEU 58 3HD1 LEU 58 0.590 -0.928 10.650 457 1HD2 LEU 58 1HD2 LEU 58 1.706 2.814 9.771 458 2HD2 LEU 58 2HD2 LEU 58 1.982 1.983 8.240 459 3HD2 LEU 58 3HD2 LEU 58 2.788 1.422 9.704 460 H ALA 59 H ALA 59 -2.470 1.036 10.429 461 HA ALA 59 HA ALA 59 -5.155 1.035 9.540 462 1HB ALA 59 1HB ALA 59 -5.420 2.759 11.417 463 2HB ALA 59 2HB ALA 59 -3.711 2.466 11.745 464 3HB ALA 59 3HB ALA 59 -4.870 1.141 11.854 465 H ASN 60 H ASN 60 -2.501 3.144 8.910 466 HA ASN 60 HA ASN 60 -4.265 5.276 7.971 467 1HB ASN 60 2HB ASN 60 -2.015 6.448 7.538 468 2HB ASN 60 1HB ASN 60 -2.500 6.198 9.211 469 1HD2 ASN 60 1HD2 ASN 60 -1.491 4.531 10.411 470 2HD2 ASN 60 2HD2 ASN 60 0.073 3.947 9.969 471 H GLY 61 H GLY 61 -4.162 2.737 6.578 472 1HA GLY 61 2HA GLY 61 -4.060 1.934 4.430 473 2HA GLY 61 1HA GLY 61 -4.140 3.618 3.939 474 H ASP 62 H ASP 62 -1.536 2.161 5.820 475 HA ASP 62 HA ASP 62 0.265 2.703 3.553 476 1HB ASP 62 2HB ASP 62 0.538 3.131 6.474 477 2HB ASP 62 1HB ASP 62 1.975 2.565 5.632 478 H LEU 63 H LEU 63 2.099 1.283 3.270 479 HA LEU 63 HA LEU 63 1.355 -1.521 3.797 480 1HB LEU 63 2HB LEU 63 2.048 -0.609 1.512 481 2HB LEU 63 1HB LEU 63 3.676 -0.516 2.155 482 HG LEU 63 HG LEU 63 3.401 -3.026 2.678 483 1HD1 LEU 63 1HD1 LEU 63 1.437 -2.962 0.427 484 2HD1 LEU 63 2HD1 LEU 63 0.879 -2.814 2.095 485 3HD1 LEU 63 3HD1 LEU 63 1.773 -4.249 1.588 486 1HD2 LEU 63 1HD2 LEU 63 3.770 -3.457 0.098 487 2HD2 LEU 63 2HD2 LEU 63 4.974 -2.618 1.077 488 3HD2 LEU 63 3HD2 LEU 63 3.864 -1.697 0.063 489 H LYS 64 H LYS 64 2.265 -2.652 5.405 490 HA LYS 64 HA LYS 64 4.776 -1.642 6.559 491 1HB LYS 64 2HB LYS 64 2.454 -2.057 7.857 492 2HB LYS 64 1HB LYS 64 3.169 -3.653 8.031 493 1HG LYS 64 2HG LYS 64 5.268 -2.190 8.768 494 2HG LYS 64 1HG LYS 64 3.980 -1.068 9.212 495 1HD LYS 64 2HD LYS 64 4.108 -2.266 11.149 496 2HD LYS 64 1HD LYS 64 2.944 -3.264 10.277 497 1HE LYS 64 2HE LYS 64 4.724 -4.758 9.568 498 2HE LYS 64 1HE LYS 64 5.923 -3.737 10.362 499 1HZ LYS 64 1HZ LYS 64 4.325 -4.217 12.404 500 2HZ LYS 64 2HZ LYS 64 5.609 -5.240 12.000 501 3HZ LYS 64 3HZ LYS 64 4.034 -5.630 11.519 502 H ILE 65 H ILE 65 6.470 -2.700 5.745 503 HA ILE 65 HA ILE 65 6.245 -5.496 4.963 504 HB ILE 65 HB ILE 65 8.801 -3.930 4.893 505 1HG1 ILE 65 2HG1 ILE 65 6.489 -3.719 2.945 506 2HG1 ILE 65 1HG1 ILE 65 7.210 -2.421 3.886 507 1HG2 ILE 65 1HG2 ILE 65 7.743 -6.405 3.740 508 2HG2 ILE 65 2HG2 ILE 65 9.405 -5.931 4.092 509 3HG2 ILE 65 3HG2 ILE 65 8.633 -5.393 2.603 510 1HD1 ILE 65 1HD1 ILE 65 9.340 -3.397 2.451 511 2HD1 ILE 65 2HD1 ILE 65 8.390 -1.963 2.065 512 3HD1 ILE 65 3HD1 ILE 65 7.994 -3.510 1.315 513 H LYS 66 H LYS 66 7.170 -7.201 6.028 514 HA LYS 66 HA LYS 66 8.067 -6.700 8.736 515 1HB LYS 66 2HB LYS 66 6.419 -8.467 8.301 516 2HB LYS 66 1HB LYS 66 7.592 -9.308 7.298 517 1HG LYS 66 2HG LYS 66 9.062 -9.260 9.441 518 2HG LYS 66 1HG LYS 66 7.524 -8.985 10.262 519 1HD LYS 66 2HD LYS 66 6.690 -11.022 8.925 520 2HD LYS 66 1HD LYS 66 8.401 -11.357 8.647 521 1HE LYS 66 2HE LYS 66 8.746 -11.308 11.110 522 2HE LYS 66 1HE LYS 66 7.003 -11.136 11.309 523 1HZ LYS 66 1HZ LYS 66 8.130 -13.471 11.391 524 2HZ LYS 66 2HZ LYS 66 8.021 -13.371 9.707 525 3HZ LYS 66 3HZ LYS 66 6.622 -13.275 10.651 526 H ASN 67 H ASN 67 9.320 -8.256 5.846 527 HA ASN 67 HA ASN 67 12.035 -7.766 6.792 528 1HB ASN 67 2HB ASN 67 10.844 -10.325 6.862 529 2HB ASN 67 1HB ASN 67 11.958 -10.340 5.499 530 1HD2 ASN 67 1HD2 ASN 67 13.707 -11.364 6.160 531 2HD2 ASN 67 2HD2 ASN 67 14.580 -11.037 7.615 532 H LEU 68 H LEU 68 12.799 -6.476 5.250 533 HA LEU 68 HA LEU 68 11.861 -6.276 2.650 534 1HB LEU 68 2HB LEU 68 14.438 -5.481 3.958 535 2HB LEU 68 1HB LEU 68 14.157 -5.191 2.251 536 HG LEU 68 HG LEU 68 12.067 -4.268 4.126 537 1HD1 LEU 68 1HD1 LEU 68 14.749 -2.925 3.859 538 2HD1 LEU 68 2HD1 LEU 68 14.019 -3.557 5.331 539 3HD1 LEU 68 3HD1 LEU 68 13.310 -2.159 4.527 540 1HD2 LEU 68 1HD2 LEU 68 11.392 -3.289 2.269 541 2HD2 LEU 68 2HD2 LEU 68 12.814 -3.883 1.416 542 3HD2 LEU 68 3HD2 LEU 68 12.870 -2.327 2.241 543 H THR 69 H THR 69 12.757 -6.852 0.660 544 HA THR 69 HA THR 69 14.832 -8.868 0.548 545 HB THR 69 HB THR 69 13.248 -10.376 -0.828 546 HG1 THR 69 1HG THR 69 11.091 -10.195 -0.311 547 1HG2 THR 69 1HG2 THR 69 14.123 -11.052 1.343 548 2HG2 THR 69 2HG2 THR 69 12.455 -11.577 1.115 549 3HG2 THR 69 3HG2 THR 69 12.810 -10.185 2.138 550 H ARG 70 H ARG 70 15.396 -9.456 -1.682 551 HA ARG 70 HA ARG 70 15.827 -7.269 -3.312 552 1HB ARG 70 2HB ARG 70 15.686 -10.204 -4.001 553 2HB ARG 70 1HB ARG 70 16.203 -8.977 -5.149 554 1HG ARG 70 2HG ARG 70 17.516 -9.519 -2.494 555 2HG ARG 70 1HG ARG 70 18.082 -10.122 -4.053 556 1HD ARG 70 2HD ARG 70 17.843 -7.236 -3.214 557 2HD ARG 70 1HD ARG 70 19.336 -8.149 -3.424 558 HE ARG 70 HE ARG 70 17.977 -8.271 -5.835 559 1HH1 ARG 70 1HH1 ARG 70 19.407 -5.816 -3.807 560 2HH1 ARG 70 2HH1 ARG 70 19.781 -4.764 -5.129 561 1HH2 ARG 70 1HH2 ARG 70 18.470 -6.888 -7.576 562 2HH2 ARG 70 2HH2 ARG 70 19.249 -5.372 -7.269 563 H ASP 71 H ASP 71 13.373 -9.809 -3.855 564 HA ASP 71 HA ASP 71 12.153 -8.703 -6.068 565 1HB ASP 71 2HB ASP 71 10.121 -9.996 -5.211 566 2HB ASP 71 1HB ASP 71 11.583 -10.917 -5.516 567 H ASP 72 H ASP 72 12.016 -7.681 -2.768 568 HA ASP 72 HA ASP 72 9.550 -6.217 -3.059 569 1HB ASP 72 2HB ASP 72 10.932 -7.188 -0.898 570 2HB ASP 72 1HB ASP 72 11.297 -5.466 -0.822 571 H SER 73 H SER 73 12.810 -5.660 -3.864 572 HA SER 73 HA SER 73 12.701 -2.785 -3.593 573 1HB SER 73 2HB SER 73 14.946 -2.772 -4.239 574 2HB SER 73 1HB SER 73 14.795 -4.328 -3.426 575 HG SER 73 HG SER 73 15.762 -4.039 -5.739 576 H GLY 74 H GLY 74 12.137 -1.345 -5.130 577 1HA GLY 74 2HA GLY 74 12.428 -1.295 -7.779 578 2HA GLY 74 1HA GLY 74 11.077 -2.405 -7.618 579 H THR 75 H THR 75 9.254 -1.264 -8.236 580 HA THR 75 HA THR 75 8.836 1.364 -6.930 581 HB THR 75 HB THR 75 8.630 0.586 -9.813 582 HG1 THR 75 1HG THR 75 10.313 1.935 -8.832 583 1HG2 THR 75 1HG2 THR 75 6.957 2.774 -8.605 584 2HG2 THR 75 2HG2 THR 75 6.353 1.288 -9.337 585 3HG2 THR 75 3HG2 THR 75 7.200 2.477 -10.326 586 H TYR 76 H TYR 76 6.946 1.560 -5.898 587 HA TYR 76 HA TYR 76 4.952 -0.574 -6.248 588 1HB TYR 76 2HB TYR 76 5.560 1.260 -3.928 589 2HB TYR 76 1HB TYR 76 4.089 0.297 -4.009 590 HD1 TYR 76 1HD TYR 76 7.793 -0.099 -4.263 591 HD2 TYR 76 2HD TYR 76 4.096 -1.814 -3.048 592 HE1 TYR 76 1HE TYR 76 9.006 -1.999 -3.284 593 HE2 TYR 76 2HE TYR 76 5.302 -3.723 -2.066 594 HH TYR 76 HH TYR 76 8.653 -4.265 -2.616 595 H ASN 77 H ASN 77 2.745 -0.048 -6.460 596 HA ASN 77 HA ASN 77 2.173 2.776 -7.055 597 1HB ASN 77 2HB ASN 77 1.841 0.393 -8.788 598 2HB ASN 77 1HB ASN 77 0.523 1.560 -8.802 599 1HD2 ASN 77 1HD2 ASN 77 2.980 0.701 -10.556 600 2HD2 ASN 77 2HD2 ASN 77 3.553 2.222 -11.141 601 H VAL 78 H VAL 78 0.535 3.533 -5.888 602 HA VAL 78 HA VAL 78 -1.378 1.603 -4.767 603 HB VAL 78 HB VAL 78 -1.452 4.378 -3.753 604 1HG1 VAL 78 1HG1 VAL 78 -2.535 3.381 -2.092 605 2HG1 VAL 78 2HG1 VAL 78 -1.219 2.239 -1.825 606 3HG1 VAL 78 3HG1 VAL 78 -2.455 1.895 -3.033 607 1HG2 VAL 78 1HG2 VAL 78 0.441 3.658 -2.091 608 2HG2 VAL 78 2HG2 VAL 78 0.847 4.407 -3.636 609 3HG2 VAL 78 3HG2 VAL 78 0.976 2.658 -3.444 610 H THR 79 H THR 79 -3.442 1.631 -5.370 611 HA THR 79 HA THR 79 -4.410 3.936 -6.927 612 HB THR 79 HB THR 79 -5.962 1.511 -7.311 613 HG1 THR 79 1HG THR 79 -4.429 0.137 -7.612 614 1HG2 THR 79 1HG2 THR 79 -6.201 2.334 -9.352 615 2HG2 THR 79 2HG2 THR 79 -4.457 2.438 -9.598 616 3HG2 THR 79 3HG2 THR 79 -5.313 3.747 -8.782 617 H VAL 80 H VAL 80 -5.387 5.092 -5.359 618 HA VAL 80 HA VAL 80 -7.127 3.794 -3.424 619 HB VAL 80 HB VAL 80 -6.344 6.694 -3.771 620 1HG1 VAL 80 1HG1 VAL 80 -7.865 5.443 -1.491 621 2HG1 VAL 80 2HG1 VAL 80 -8.580 6.444 -2.753 622 3HG1 VAL 80 3HG1 VAL 80 -7.391 7.136 -1.649 623 1HG2 VAL 80 1HG2 VAL 80 -4.868 4.589 -2.740 624 2HG2 VAL 80 2HG2 VAL 80 -5.545 5.370 -1.312 625 3HG2 VAL 80 3HG2 VAL 80 -4.584 6.306 -2.456 626 H TYR 81 H TYR 81 -9.277 3.699 -3.540 627 HA TYR 81 HA TYR 81 -10.639 5.378 -5.534 628 1HB TYR 81 2HB TYR 81 -11.211 2.518 -4.823 629 2HB TYR 81 1HB TYR 81 -12.250 3.504 -5.815 630 HD1 TYR 81 1HD TYR 81 -9.284 1.452 -5.737 631 HD2 TYR 81 2HD TYR 81 -11.413 4.336 -8.028 632 HE1 TYR 81 1HE TYR 81 -7.997 0.810 -7.731 633 HE2 TYR 81 2HE TYR 81 -10.130 3.703 -10.029 634 HH TYR 81 HH TYR 81 -8.141 0.909 -10.128 635 H SER 82 H SER 82 -12.776 5.917 -5.104 636 HA SER 82 HA SER 82 -13.323 6.362 -2.291 637 1HB SER 82 2HB SER 82 -15.419 7.417 -3.858 638 2HB SER 82 1HB SER 82 -14.105 8.292 -3.074 639 HG SER 82 HG SER 82 -14.245 8.628 -5.372 640 H THR 83 H THR 83 -15.776 6.305 -1.740 641 HA THR 83 HA THR 83 -16.579 3.614 -1.688 642 HB THR 83 HB THR 83 -18.840 4.719 -0.965 643 HG1 THR 83 1HG THR 83 -18.486 6.867 -0.237 644 1HG2 THR 83 1HG2 THR 83 -16.358 5.217 0.662 645 2HG2 THR 83 2HG2 THR 83 -17.270 3.706 0.618 646 3HG2 THR 83 3HG2 THR 83 -18.017 5.170 1.260 647 H ASN 84 H ASN 84 -17.088 6.090 -4.027 648 HA ASN 84 HA ASN 84 -19.298 4.637 -5.272 649 1HB ASN 84 2HB ASN 84 -18.058 7.238 -6.179 650 2HB ASN 84 1HB ASN 84 -19.617 6.570 -6.656 651 1HD2 ASN 84 1HD2 ASN 84 -21.061 6.083 -4.682 652 2HD2 ASN 84 2HD2 ASN 84 -21.169 7.357 -3.519 653 H GLY 85 H GLY 85 -16.473 3.661 -5.218 654 1HA GLY 85 2HA GLY 85 -14.993 2.630 -6.637 655 2HA GLY 85 1HA GLY 85 -16.343 2.532 -7.757 656 H THR 86 H THR 86 -15.140 5.607 -6.642 657 HA THR 86 HA THR 86 -14.301 6.210 -9.381 658 HB THR 86 HB THR 86 -14.325 8.358 -7.346 659 HG1 THR 86 1HG THR 86 -16.665 6.987 -8.151 660 1HG2 THR 86 1HG2 THR 86 -14.171 9.388 -9.330 661 2HG2 THR 86 2HG2 THR 86 -15.925 9.198 -9.332 662 3HG2 THR 86 3HG2 THR 86 -14.912 8.048 -10.207 663 H ARG 87 H ARG 87 -12.331 7.413 -9.755 664 HA ARG 87 HA ARG 87 -10.141 6.356 -8.226 665 1HB ARG 87 2HB ARG 87 -9.735 8.494 -10.270 666 2HB ARG 87 1HB ARG 87 -8.764 7.066 -9.936 667 1HG ARG 87 2HG ARG 87 -11.134 5.994 -10.816 668 2HG ARG 87 1HG ARG 87 -10.959 7.442 -11.810 669 1HD ARG 87 2HD ARG 87 -8.537 6.627 -12.167 670 2HD ARG 87 1HD ARG 87 -9.133 5.075 -11.581 671 HE ARG 87 HE ARG 87 -10.836 6.008 -13.610 672 1HH1 ARG 87 1HH1 ARG 87 -7.602 4.769 -13.186 673 2HH1 ARG 87 2HH1 ARG 87 -7.515 4.098 -14.780 674 1HH2 ARG 87 1HH2 ARG 87 -10.724 5.126 -15.708 675 2HH2 ARG 87 2HH2 ARG 87 -9.288 4.301 -16.212 676 H ILE 88 H ILE 88 -9.629 7.202 -6.325 677 HA ILE 88 HA ILE 88 -10.074 10.032 -5.806 678 HB ILE 88 HB ILE 88 -9.226 7.772 -3.996 679 1HG1 ILE 88 2HG1 ILE 88 -11.590 7.782 -4.752 680 2HG1 ILE 88 1HG1 ILE 88 -11.431 8.025 -3.016 681 1HG2 ILE 88 1HG2 ILE 88 -9.034 10.648 -3.621 682 2HG2 ILE 88 2HG2 ILE 88 -8.348 9.333 -2.664 683 3HG2 ILE 88 3HG2 ILE 88 -10.005 9.864 -2.375 684 1HD1 ILE 88 1HD1 ILE 88 -12.781 9.764 -3.271 685 2HD1 ILE 88 2HD1 ILE 88 -12.614 9.730 -5.026 686 3HD1 ILE 88 3HD1 ILE 88 -11.427 10.587 -4.045 687 H LEU 89 H LEU 89 -7.374 7.701 -5.680 688 HA LEU 89 HA LEU 89 -5.536 9.814 -6.409 689 1HB LEU 89 2HB LEU 89 -5.476 10.207 -4.090 690 2HB LEU 89 1HB LEU 89 -5.497 8.495 -3.712 691 HG LEU 89 HG LEU 89 -3.149 9.466 -5.234 692 1HD1 LEU 89 1HD1 LEU 89 -3.457 10.064 -2.298 693 2HD1 LEU 89 2HD1 LEU 89 -3.555 11.269 -3.582 694 3HD1 LEU 89 3HD1 LEU 89 -2.050 10.391 -3.312 695 1HD2 LEU 89 1HD2 LEU 89 -3.799 7.122 -4.101 696 2HD2 LEU 89 2HD2 LEU 89 -2.937 7.872 -2.758 697 3HD2 LEU 89 3HD2 LEU 89 -2.136 7.665 -4.314 698 H ASN 90 H ASN 90 -3.547 9.095 -7.143 699 HA ASN 90 HA ASN 90 -3.051 6.217 -7.261 700 1HB ASN 90 2HB ASN 90 -4.273 6.775 -9.338 701 2HB ASN 90 1HB ASN 90 -3.075 8.012 -9.704 702 1HD2 ASN 90 1HD2 ASN 90 -2.817 4.677 -8.530 703 2HD2 ASN 90 2HD2 ASN 90 -1.772 4.131 -9.794 704 H LYS 91 H LYS 91 -1.120 6.111 -6.261 705 HA LYS 91 HA LYS 91 0.916 8.098 -7.056 706 1HB LYS 91 2HB LYS 91 0.521 6.794 -4.365 707 2HB LYS 91 1HB LYS 91 1.883 7.820 -4.784 708 1HG LYS 91 2HG LYS 91 -0.813 8.942 -5.229 709 2HG LYS 91 1HG LYS 91 -0.301 8.719 -3.554 710 1HD LYS 91 2HD LYS 91 0.576 10.786 -3.869 711 2HD LYS 91 1HD LYS 91 1.915 9.856 -4.543 712 1HE LYS 91 2HE LYS 91 1.637 11.209 -6.319 713 2HE LYS 91 1HE LYS 91 0.334 10.091 -6.720 714 1HZ LYS 91 1HZ LYS 91 -0.082 12.653 -6.621 715 2HZ LYS 91 2HZ LYS 91 -0.259 12.364 -4.964 716 3HZ LYS 91 3HZ LYS 91 -1.260 11.570 -6.071 717 H ALA 92 H ALA 92 3.117 7.454 -6.964 718 HA ALA 92 HA ALA 92 3.656 4.579 -7.022 719 1HB ALA 92 1HB ALA 92 4.373 4.502 -9.163 720 2HB ALA 92 2HB ALA 92 5.010 6.146 -9.120 721 3HB ALA 92 3HB ALA 92 3.284 5.876 -9.356 722 H LEU 93 H LEU 93 5.397 4.150 -5.797 723 HA LEU 93 HA LEU 93 7.367 6.307 -5.394 724 1HB LEU 93 2HB LEU 93 6.831 4.207 -3.327 725 2HB LEU 93 1HB LEU 93 7.575 5.782 -3.129 726 HG LEU 93 HG LEU 93 5.254 6.737 -3.717 727 1HD1 LEU 93 1HD1 LEU 93 3.917 5.057 -4.463 728 2HD1 LEU 93 2HD1 LEU 93 3.534 4.966 -2.744 729 3HD1 LEU 93 3HD1 LEU 93 4.691 3.838 -3.451 730 1HD2 LEU 93 1HD2 LEU 93 4.551 6.603 -1.399 731 2HD2 LEU 93 2HD2 LEU 93 6.298 6.831 -1.495 732 3HD2 LEU 93 3HD2 LEU 93 5.635 5.238 -1.128 733 H ASP 94 H ASP 94 9.516 5.527 -4.659 734 HA ASP 94 HA ASP 94 10.223 3.031 -6.049 735 1HB ASP 94 2HB ASP 94 11.923 5.481 -5.527 736 2HB ASP 94 1HB ASP 94 12.478 4.014 -6.328 737 H LEU 95 H LEU 95 10.941 1.406 -4.806 738 HA LEU 95 HA LEU 95 11.784 2.034 -2.062 739 1HB LEU 95 2HB LEU 95 9.813 0.374 -2.866 740 2HB LEU 95 1HB LEU 95 11.149 -0.756 -2.815 741 HG LEU 95 HG LEU 95 9.949 0.810 -0.550 742 1HD1 LEU 95 1HD1 LEU 95 10.182 -1.667 0.352 743 2HD1 LEU 95 2HD1 LEU 95 10.125 -2.026 -1.373 744 3HD1 LEU 95 3HD1 LEU 95 8.802 -1.142 -0.611 745 1HD2 LEU 95 1HD2 LEU 95 12.560 0.775 -0.667 746 2HD2 LEU 95 2HD2 LEU 95 12.361 -0.902 -0.159 747 3HD2 LEU 95 3HD2 LEU 95 11.732 0.407 0.842 748 H ARG 96 H ARG 96 13.955 2.001 -1.798 749 HA ARG 96 HA ARG 96 15.474 -0.020 -3.319 750 1HB ARG 96 2HB ARG 96 17.464 1.566 -2.705 751 2HB ARG 96 1HB ARG 96 16.424 1.927 -4.075 752 1HG ARG 96 2HG ARG 96 15.172 3.519 -2.694 753 2HG ARG 96 1HG ARG 96 16.224 3.152 -1.327 754 1HD ARG 96 2HD ARG 96 16.651 4.955 -3.556 755 2HD ARG 96 1HD ARG 96 17.507 4.835 -2.025 756 HE ARG 96 HE ARG 96 19.131 3.571 -3.051 757 1HH1 ARG 96 1HH1 ARG 96 16.393 3.903 -5.192 758 2HH1 ARG 96 2HH1 ARG 96 17.229 3.256 -6.563 759 1HH2 ARG 96 1HH2 ARG 96 20.229 2.718 -4.852 760 2HH2 ARG 96 2HH2 ARG 96 19.405 2.582 -6.370 761 H ILE 97 H ILE 97 16.128 -1.660 -2.167 762 HA ILE 97 HA ILE 97 16.528 -1.313 0.725 763 HB ILE 97 HB ILE 97 16.319 -4.010 -0.534 764 1HG1 ILE 97 2HG1 ILE 97 13.831 -2.579 0.347 765 2HG1 ILE 97 1HG1 ILE 97 14.405 -2.400 -1.306 766 1HG2 ILE 97 1HG2 ILE 97 16.009 -4.723 1.567 767 2HG2 ILE 97 2HG2 ILE 97 14.941 -3.380 1.974 768 3HG2 ILE 97 3HG2 ILE 97 16.691 -3.159 2.013 769 1HD1 ILE 97 1HD1 ILE 97 13.686 -4.987 0.046 770 2HD1 ILE 97 2HD1 ILE 97 14.292 -4.823 -1.600 771 3HD1 ILE 97 3HD1 ILE 97 12.730 -4.132 -1.164 772 H LEU 98 H LEU 98 18.608 -1.040 1.228 773 HA LEU 98 HA LEU 98 20.780 -1.849 -0.335 774 1HB LEU 98 2HB LEU 98 20.294 -0.645 2.306 775 2HB LEU 98 1HB LEU 98 21.793 -1.526 2.161 776 HG LEU 98 HG LEU 98 20.916 0.781 0.439 777 1HD1 LEU 98 1HD1 LEU 98 21.839 0.985 2.930 778 2HD1 LEU 98 2HD1 LEU 98 22.251 2.144 1.666 779 3HD1 LEU 98 3HD1 LEU 98 23.379 0.852 2.081 780 1HD2 LEU 98 1HD2 LEU 98 22.231 -0.274 -1.069 781 2HD2 LEU 98 2HD2 LEU 98 23.084 -1.206 0.163 782 3HD2 LEU 98 3HD2 LEU 98 23.519 0.478 -0.127 783 H GLU 99 H GLU 99 21.762 -3.733 -0.478 784 HA GLU 99 HA GLU 99 20.773 -6.079 0.684 785 1HB GLU 99 2HB GLU 99 23.416 -5.485 -0.645 786 2HB GLU 99 1HB GLU 99 22.936 -7.100 -0.142 787 1HG GLU 99 2HG GLU 99 20.991 -5.662 -1.813 788 2HG GLU 99 1HG GLU 99 22.511 -6.088 -2.599 Start of MODEL 3 1 1H ARG 1 1H ARG 1 5.384 9.717 -12.440 2 2H ARG 1 2H ARG 1 5.694 8.285 -11.546 3 3H ARG 1 3H ARG 1 5.237 8.185 -13.197 4 HA ARG 1 HA ARG 1 7.494 7.809 -13.160 5 1HB ARG 1 2HB ARG 1 6.689 9.359 -14.884 6 2HB ARG 1 1HB ARG 1 6.957 10.717 -13.802 7 1HG ARG 1 2HG ARG 1 9.413 9.785 -13.766 8 2HG ARG 1 1HG ARG 1 8.921 9.067 -15.302 9 1HD ARG 1 2HD ARG 1 9.712 11.075 -16.048 10 2HD ARG 1 1HD ARG 1 8.027 11.505 -15.758 11 HE ARG 1 HE ARG 1 9.375 12.016 -13.403 12 1HH1 ARG 1 1HH1 ARG 1 9.507 13.129 -16.708 13 2HH1 ARG 1 2HH1 ARG 1 10.080 14.706 -16.285 14 1HH2 ARG 1 1HH2 ARG 1 10.128 14.092 -12.845 15 2HH2 ARG 1 2HH2 ARG 1 10.434 15.253 -14.093 16 H ASP 2 H ASP 2 8.056 7.474 -10.908 17 HA ASP 2 HA ASP 2 9.328 7.853 -9.062 18 1HB ASP 2 2HB ASP 2 10.837 8.724 -11.055 19 2HB ASP 2 1HB ASP 2 10.551 10.286 -10.293 20 H SER 3 H SER 3 7.362 8.458 -7.952 21 HA SER 3 HA SER 3 6.938 11.323 -7.567 22 1HB SER 3 2HB SER 3 5.266 9.324 -6.133 23 2HB SER 3 1HB SER 3 4.795 10.829 -6.922 24 HG SER 3 HG SER 3 4.027 9.141 -8.151 25 H GLY 4 H GLY 4 8.063 8.475 -5.882 26 1HA GLY 4 2HA GLY 4 9.123 10.173 -3.769 27 2HA GLY 4 1HA GLY 4 7.954 8.963 -3.263 28 H THR 5 H THR 5 10.527 8.980 -2.261 29 HA THR 5 HA THR 5 11.520 6.421 -3.287 30 HB THR 5 HB THR 5 13.418 8.656 -2.589 31 HG1 THR 5 1HG THR 5 12.483 7.944 -5.169 32 1HG2 THR 5 1HG2 THR 5 14.535 7.013 -4.513 33 2HG2 THR 5 2HG2 THR 5 13.717 5.909 -3.406 34 3HG2 THR 5 3HG2 THR 5 14.919 7.044 -2.791 35 H VAL 6 H VAL 6 12.681 5.194 -1.809 36 HA VAL 6 HA VAL 6 12.760 6.125 0.953 37 HB VAL 6 HB VAL 6 10.597 4.757 0.264 38 1HG1 VAL 6 1HG1 VAL 6 12.244 2.981 -0.581 39 2HG1 VAL 6 2HG1 VAL 6 10.745 2.507 0.221 40 3HG1 VAL 6 3HG1 VAL 6 12.271 2.478 1.107 41 1HG2 VAL 6 1HG2 VAL 6 12.220 4.426 2.777 42 2HG2 VAL 6 2HG2 VAL 6 10.605 3.741 2.594 43 3HG2 VAL 6 3HG2 VAL 6 10.836 5.487 2.502 44 H TRP 7 H TRP 7 14.217 4.963 2.282 45 HA TRP 7 HA TRP 7 16.031 3.176 0.804 46 1HB TRP 7 2HB TRP 7 16.740 5.190 2.949 47 2HB TRP 7 1HB TRP 7 17.869 4.060 2.208 48 HD1 TRP 7 HD TRP 7 15.831 7.212 1.394 49 HE1 TRP 7 1HE TRP 7 16.835 8.313 -0.705 50 HE3 TRP 7 3HE TRP 7 19.231 3.608 0.139 51 HZ2 TRP 7 2HZ TRP 7 18.814 7.731 -2.634 52 HZ3 TRP 7 3HZ TRP 7 20.641 3.956 -1.847 53 HH2 TRP 7 HH TRP 7 20.435 5.976 -3.205 54 H GLY 8 H GLY 8 16.386 1.227 1.650 55 1HA GLY 8 2HA GLY 8 15.947 0.798 4.519 56 2HA GLY 8 1HA GLY 8 14.902 -0.098 3.434 57 H ALA 9 H ALA 9 16.155 -1.742 4.933 58 HA ALA 9 HA ALA 9 18.400 -2.733 3.309 59 1HB ALA 9 1HB ALA 9 19.357 -1.745 5.304 60 2HB ALA 9 2HB ALA 9 19.533 -3.499 5.344 61 3HB ALA 9 3HB ALA 9 18.292 -2.714 6.321 62 H LEU 10 H LEU 10 18.342 -4.837 2.820 63 HA LEU 10 HA LEU 10 16.014 -6.329 3.011 64 1HB LEU 10 2HB LEU 10 18.434 -6.624 1.764 65 2HB LEU 10 1HB LEU 10 18.494 -7.916 2.944 66 HG LEU 10 HG LEU 10 16.120 -8.517 1.964 67 1HD1 LEU 10 1HD1 LEU 10 15.572 -6.980 0.392 68 2HD1 LEU 10 2HD1 LEU 10 16.527 -8.050 -0.635 69 3HD1 LEU 10 3HD1 LEU 10 17.253 -6.588 0.028 70 1HD2 LEU 10 1HD2 LEU 10 18.318 -9.791 1.897 71 2HD2 LEU 10 2HD2 LEU 10 18.536 -9.105 0.287 72 3HD2 LEU 10 3HD2 LEU 10 17.147 -10.138 0.624 73 H GLY 11 H GLY 11 15.165 -7.747 4.428 74 1HA GLY 11 2HA GLY 11 15.104 -9.202 6.255 75 2HA GLY 11 1HA GLY 11 16.760 -8.756 6.636 76 H HIS 12 H HIS 12 15.485 -5.836 6.244 77 HA HIS 12 HA HIS 12 14.693 -5.660 9.066 78 1HB HIS 12 2HB HIS 12 16.439 -4.207 9.015 79 2HB HIS 12 1HB HIS 12 16.346 -4.001 7.271 80 HD1 HIS 12 1HD HIS 12 14.933 -2.094 6.379 81 HD2 HIS 12 2HD HIS 12 15.034 -2.299 10.521 82 HE1 HIS 12 1HE HIS 12 14.057 0.132 7.183 83 HE2 HIS 12 2HE HIS 12 14.026 -0.062 9.697 84 H GLY 13 H GLY 13 13.131 -3.786 9.494 85 1HA GLY 13 2HA GLY 13 10.760 -4.272 7.966 86 2HA GLY 13 1HA GLY 13 10.930 -3.115 9.280 87 H ILE 14 H ILE 14 9.433 -1.972 7.708 88 HA ILE 14 HA ILE 14 10.463 0.317 6.734 89 HB ILE 14 HB ILE 14 11.867 -0.976 5.181 90 1HG1 ILE 14 2HG1 ILE 14 10.594 0.122 3.015 91 2HG1 ILE 14 1HG1 ILE 14 9.929 1.056 4.350 92 1HG2 ILE 14 1HG2 ILE 14 10.657 -2.913 4.715 93 2HG2 ILE 14 2HG2 ILE 14 10.662 -2.021 3.193 94 3HG2 ILE 14 3HG2 ILE 14 9.230 -2.005 4.220 95 1HD1 ILE 14 1HD1 ILE 14 12.856 0.659 4.330 96 2HD1 ILE 14 2HD1 ILE 14 11.898 2.064 4.804 97 3HD1 ILE 14 3HD1 ILE 14 12.175 1.721 3.095 98 H ASP 15 H ASP 15 8.832 1.652 6.139 99 HA ASP 15 HA ASP 15 6.264 0.395 5.421 100 1HB ASP 15 2HB ASP 15 6.263 1.223 7.748 101 2HB ASP 15 1HB ASP 15 6.676 2.833 7.166 102 H LEU 16 H LEU 16 5.286 1.135 3.654 103 HA LEU 16 HA LEU 16 6.532 3.265 2.129 104 1HB LEU 16 2HB LEU 16 4.663 1.059 1.610 105 2HB LEU 16 1HB LEU 16 4.242 2.527 0.763 106 HG LEU 16 HG LEU 16 5.665 1.986 -0.852 107 1HD1 LEU 16 1HD1 LEU 16 7.347 3.311 0.284 108 2HD1 LEU 16 2HD1 LEU 16 8.081 1.924 -0.519 109 3HD1 LEU 16 3HD1 LEU 16 7.842 1.903 1.228 110 1HD2 LEU 16 1HD2 LEU 16 6.910 -0.262 0.662 111 2HD2 LEU 16 2HD2 LEU 16 6.488 -0.150 -1.047 112 3HD2 LEU 16 3HD2 LEU 16 5.221 -0.356 0.162 113 H ASP 17 H ASP 17 5.714 5.298 1.829 114 HA ASP 17 HA ASP 17 3.184 5.886 3.217 115 1HB ASP 17 2HB ASP 17 5.604 7.657 2.867 116 2HB ASP 17 1HB ASP 17 4.072 8.176 3.564 117 H ILE 18 H ILE 18 1.582 6.511 2.014 118 HA ILE 18 HA ILE 18 1.927 7.170 -0.767 119 HB ILE 18 HB ILE 18 -0.566 7.135 0.926 120 1HG1 ILE 18 2HG1 ILE 18 0.920 5.034 -0.581 121 2HG1 ILE 18 1HG1 ILE 18 0.139 4.926 0.982 122 1HG2 ILE 18 1HG2 ILE 18 -0.413 6.910 -2.065 123 2HG2 ILE 18 2HG2 ILE 18 -0.619 8.457 -1.241 124 3HG2 ILE 18 3HG2 ILE 18 -1.831 7.189 -1.056 125 1HD1 ILE 18 1HD1 ILE 18 -1.164 3.623 -0.437 126 2HD1 ILE 18 2HD1 ILE 18 -1.131 4.838 -1.717 127 3HD1 ILE 18 3HD1 ILE 18 -2.057 5.132 -0.243 128 HA PRO 19 HA PRO 19 2.326 11.570 0.084 129 1HB PRO 19 2HB PRO 19 1.797 11.757 -2.829 130 2HB PRO 19 1HB PRO 19 3.139 12.411 -1.882 131 1HG PRO 19 2HG PRO 19 3.496 10.301 -3.468 132 2HG PRO 19 1HG PRO 19 4.296 10.399 -1.888 133 1HD PRO 19 2HD PRO 19 1.878 8.833 -2.696 134 2HD PRO 19 1HD PRO 19 3.221 8.359 -1.639 135 H ASN 20 H ASN 20 0.834 12.940 0.735 136 HA ASN 20 HA ASN 20 -1.238 13.780 1.217 137 1HB ASN 20 2HB ASN 20 -1.104 13.973 -1.788 138 2HB ASN 20 1HB ASN 20 -2.344 14.768 -0.824 139 1HD2 ASN 20 1HD2 ASN 20 -1.122 15.804 1.253 140 2HD2 ASN 20 2HD2 ASN 20 0.122 16.909 0.790 141 H PHE 21 H PHE 21 -1.832 11.398 1.821 142 HA PHE 21 HA PHE 21 -4.373 10.845 0.514 143 1HB PHE 21 2HB PHE 21 -3.162 9.222 -0.580 144 2HB PHE 21 1HB PHE 21 -2.051 8.982 0.759 145 HD1 PHE 21 1HD PHE 21 -5.651 8.543 -0.069 146 HD2 PHE 21 2HD PHE 21 -2.236 7.064 1.963 147 HE1 PHE 21 1HE PHE 21 -6.943 6.567 0.652 148 HE2 PHE 21 2HE PHE 21 -3.505 5.079 2.682 149 HZ PHE 21 HZ PHE 21 -5.866 4.830 2.024 150 H GLN 22 H GLN 22 -5.909 9.838 1.857 151 HA GLN 22 HA GLN 22 -5.153 9.449 4.663 152 1HB GLN 22 2HB GLN 22 -7.106 11.417 3.580 153 2HB GLN 22 1HB GLN 22 -7.533 10.585 5.069 154 1HG GLN 22 2HG GLN 22 -6.024 11.709 6.287 155 2HG GLN 22 1HG GLN 22 -4.816 11.687 5.003 156 1HE2 GLN 22 1HE2 GLN 22 -4.427 13.896 5.677 157 2HE2 GLN 22 2HE2 GLN 22 -5.425 15.160 5.051 158 H MET 23 H MET 23 -5.749 7.475 5.232 159 HA MET 23 HA MET 23 -7.718 6.010 3.728 160 1HB MET 23 2HB MET 23 -5.697 4.903 4.566 161 2HB MET 23 1HB MET 23 -6.183 5.251 6.220 162 1HG MET 23 2HG MET 23 -7.046 3.198 6.178 163 2HG MET 23 1HG MET 23 -8.371 3.946 5.290 164 1HE MET 23 1HE MET 23 -8.631 1.027 4.349 165 2HE MET 23 2HE MET 23 -7.314 0.987 5.521 166 3HE MET 23 3HE MET 23 -7.091 0.282 3.920 167 H THR 24 H THR 24 -9.489 7.520 4.234 168 HA THR 24 HA THR 24 -10.622 7.098 6.915 169 HB THR 24 HB THR 24 -11.957 9.089 6.537 170 HG1 THR 24 1HG THR 24 -10.699 9.285 4.006 171 1HG2 THR 24 1HG2 THR 24 -10.191 10.171 7.327 172 2HG2 THR 24 2HG2 THR 24 -9.817 10.581 5.653 173 3HG2 THR 24 3HG2 THR 24 -9.067 9.173 6.406 174 H ASP 25 H ASP 25 -13.234 7.560 6.566 175 HA ASP 25 HA ASP 25 -14.227 5.141 5.569 176 1HB ASP 25 2HB ASP 25 -15.622 7.747 6.197 177 2HB ASP 25 1HB ASP 25 -16.479 6.269 5.767 178 H ASP 26 H ASP 26 -13.806 8.267 4.058 179 HA ASP 26 HA ASP 26 -15.447 7.936 1.820 180 1HB ASP 26 2HB ASP 26 -14.284 10.056 2.552 181 2HB ASP 26 1HB ASP 26 -12.808 9.406 1.844 182 H ILE 27 H ILE 27 -12.341 6.584 2.586 183 HA ILE 27 HA ILE 27 -11.696 5.817 -0.093 184 HB ILE 27 HB ILE 27 -10.537 4.979 2.566 185 1HG1 ILE 27 2HG1 ILE 27 -10.068 7.281 2.233 186 2HG1 ILE 27 1HG1 ILE 27 -8.628 6.435 1.717 187 1HG2 ILE 27 1HG2 ILE 27 -9.464 4.468 -0.204 188 2HG2 ILE 27 2HG2 ILE 27 -10.141 3.256 0.885 189 3HG2 ILE 27 3HG2 ILE 27 -8.648 4.090 1.312 190 1HD1 ILE 27 1HD1 ILE 27 -8.946 8.049 0.084 191 2HD1 ILE 27 2HD1 ILE 27 -10.693 7.799 0.046 192 3HD1 ILE 27 3HD1 ILE 27 -9.614 6.586 -0.641 193 H ASP 28 H ASP 28 -12.385 3.947 -1.140 194 HA ASP 28 HA ASP 28 -13.783 1.950 0.492 195 1HB ASP 28 2HB ASP 28 -14.794 3.370 -1.583 196 2HB ASP 28 1HB ASP 28 -14.197 1.947 -2.431 197 H GLU 29 H GLU 29 -11.566 2.304 -2.305 198 HA GLU 29 HA GLU 29 -10.672 -0.442 -1.684 199 1HB GLU 29 2HB GLU 29 -12.077 -0.508 -3.674 200 2HB GLU 29 1HB GLU 29 -11.085 0.723 -4.439 201 1HG GLU 29 2HG GLU 29 -9.177 -0.812 -4.421 202 2HG GLU 29 1HG GLU 29 -10.192 -2.047 -3.676 203 H VAL 30 H VAL 30 -8.619 -0.439 -1.059 204 HA VAL 30 HA VAL 30 -6.765 1.521 -2.253 205 HB VAL 30 HB VAL 30 -6.181 0.069 0.319 206 1HG1 VAL 30 1HG1 VAL 30 -5.121 2.574 0.478 207 2HG1 VAL 30 2HG1 VAL 30 -5.005 2.240 -1.250 208 3HG1 VAL 30 3HG1 VAL 30 -4.261 1.142 -0.088 209 1HG2 VAL 30 1HG2 VAL 30 -6.990 2.509 1.186 210 2HG2 VAL 30 2HG2 VAL 30 -7.997 1.061 1.213 211 3HG2 VAL 30 3HG2 VAL 30 -8.147 2.215 -0.112 212 H ARG 31 H ARG 31 -5.589 0.563 -3.814 213 HA ARG 31 HA ARG 31 -4.840 -2.258 -3.449 214 1HB ARG 31 2HB ARG 31 -4.473 -0.970 -6.097 215 2HB ARG 31 1HB ARG 31 -4.995 -2.598 -5.697 216 1HG ARG 31 2HG ARG 31 -7.209 -1.817 -5.167 217 2HG ARG 31 1HG ARG 31 -6.708 -0.141 -5.397 218 1HD ARG 31 2HD ARG 31 -7.965 -1.217 -7.316 219 2HD ARG 31 1HD ARG 31 -6.438 -0.432 -7.719 220 HE ARG 31 HE ARG 31 -6.179 -3.241 -7.174 221 1HH1 ARG 31 1HH1 ARG 31 -6.896 -0.861 -9.623 222 2HH1 ARG 31 2HH1 ARG 31 -6.445 -1.895 -10.937 223 1HH2 ARG 31 1HH2 ARG 31 -5.587 -4.602 -8.901 224 2HH2 ARG 31 2HH2 ARG 31 -5.702 -4.019 -10.528 225 H TRP 32 H TRP 32 -2.812 -2.858 -3.243 226 HA TRP 32 HA TRP 32 -0.676 -0.883 -3.707 227 1HB TRP 32 2HB TRP 32 -0.982 -3.072 -1.660 228 2HB TRP 32 1HB TRP 32 0.608 -2.464 -2.097 229 HD1 TRP 32 HD TRP 32 -2.584 -1.445 -0.246 230 HE1 TRP 32 1HE TRP 32 -2.076 0.644 1.171 231 HE3 TRP 32 3HE TRP 32 2.108 -0.414 -1.980 232 HZ2 TRP 32 2HZ TRP 32 0.043 2.495 1.504 233 HZ3 TRP 32 3HZ TRP 32 3.307 1.532 -1.068 234 HH2 TRP 32 HH TRP 32 2.294 2.953 0.638 235 H GLU 33 H GLU 33 -0.539 -1.501 -5.922 236 HA GLU 33 HA GLU 33 0.296 -4.267 -6.418 237 1HB GLU 33 2HB GLU 33 -0.510 -2.122 -8.386 238 2HB GLU 33 1HB GLU 33 -0.159 -3.801 -8.775 239 1HG GLU 33 2HG GLU 33 -2.176 -4.511 -8.108 240 2HG GLU 33 1HG GLU 33 -2.216 -3.424 -6.721 241 H ARG 34 H ARG 34 2.061 -4.745 -7.758 242 HA ARG 34 HA ARG 34 4.022 -2.645 -8.253 243 1HB ARG 34 2HB ARG 34 4.310 -3.960 -5.953 244 2HB ARG 34 1HB ARG 34 5.043 -5.158 -7.009 245 1HG ARG 34 2HG ARG 34 6.590 -3.413 -7.841 246 2HG ARG 34 1HG ARG 34 5.902 -2.295 -6.664 247 1HD ARG 34 2HD ARG 34 7.938 -3.228 -5.779 248 2HD ARG 34 1HD ARG 34 6.568 -3.844 -4.857 249 HE ARG 34 HE ARG 34 8.323 -5.351 -6.609 250 1HH1 ARG 34 1HH1 ARG 34 5.344 -5.303 -4.784 251 2HH1 ARG 34 2HH1 ARG 34 5.210 -7.028 -4.726 252 1HH2 ARG 34 1HH2 ARG 34 8.142 -7.617 -6.532 253 2HH2 ARG 34 2HH2 ARG 34 6.796 -8.340 -5.716 254 H GLY 35 H GLY 35 4.596 -2.864 -10.324 255 1HA GLY 35 2HA GLY 35 5.048 -3.828 -12.367 256 2HA GLY 35 1HA GLY 35 5.622 -5.213 -11.453 257 H SER 36 H SER 36 4.635 -7.031 -11.897 258 HA SER 36 HA SER 36 1.839 -6.939 -12.825 259 1HB SER 36 2HB SER 36 4.118 -8.748 -13.622 260 2HB SER 36 1HB SER 36 2.436 -9.176 -13.933 261 HG SER 36 HG SER 36 3.570 -6.718 -14.759 262 H THR 37 H THR 37 2.367 -6.982 -10.103 263 HA THR 37 HA THR 37 1.165 -9.528 -9.376 264 HB THR 37 HB THR 37 3.775 -8.565 -8.192 265 HG1 THR 37 1HG THR 37 4.180 -9.726 -10.008 266 1HG2 THR 37 1HG2 THR 37 2.477 -9.462 -6.386 267 2HG2 THR 37 2HG2 THR 37 3.724 -10.623 -6.840 268 3HG2 THR 37 3HG2 THR 37 2.055 -10.882 -7.345 269 H LEU 38 H LEU 38 0.327 -9.533 -7.157 270 HA LEU 38 HA LEU 38 -0.406 -6.808 -6.299 271 1HB LEU 38 2HB LEU 38 -1.833 -9.387 -6.314 272 2HB LEU 38 1HB LEU 38 -1.993 -8.480 -4.832 273 HG LEU 38 HG LEU 38 -2.784 -7.528 -7.585 274 1HD1 LEU 38 1HD1 LEU 38 -4.632 -8.671 -7.080 275 2HD1 LEU 38 2HD1 LEU 38 -4.946 -7.399 -5.901 276 3HD1 LEU 38 3HD1 LEU 38 -4.145 -8.890 -5.398 277 1HD2 LEU 38 1HD2 LEU 38 -1.997 -5.614 -6.451 278 2HD2 LEU 38 2HD2 LEU 38 -2.701 -6.136 -4.921 279 3HD2 LEU 38 3HD2 LEU 38 -3.747 -5.607 -6.238 280 H VAL 39 H VAL 39 -0.174 -6.190 -4.154 281 HA VAL 39 HA VAL 39 1.484 -7.993 -2.525 282 HB VAL 39 HB VAL 39 1.563 -4.982 -2.753 283 1HG1 VAL 39 1HG1 VAL 39 3.299 -5.041 -1.000 284 2HG1 VAL 39 2HG1 VAL 39 2.944 -6.750 -0.739 285 3HG1 VAL 39 3HG1 VAL 39 1.710 -5.532 -0.410 286 1HG2 VAL 39 1HG2 VAL 39 3.690 -5.234 -3.667 287 2HG2 VAL 39 2HG2 VAL 39 2.818 -6.605 -4.358 288 3HG2 VAL 39 3HG2 VAL 39 3.897 -6.848 -2.985 289 H ALA 40 H ALA 40 -0.982 -5.465 -2.486 290 HA ALA 40 HA ALA 40 -2.427 -6.767 -0.402 291 1HB ALA 40 1HB ALA 40 -1.105 -4.160 0.326 292 2HB ALA 40 2HB ALA 40 -0.658 -5.747 0.951 293 3HB ALA 40 3HB ALA 40 -2.244 -5.069 1.318 294 H GLU 41 H GLU 41 -4.396 -6.540 -1.190 295 HA GLU 41 HA GLU 41 -5.245 -3.883 -2.134 296 1HB GLU 41 2HB GLU 41 -5.325 -6.383 -3.474 297 2HB GLU 41 1HB GLU 41 -6.986 -5.930 -3.114 298 1HG GLU 41 2HG GLU 41 -6.742 -3.856 -4.267 299 2HG GLU 41 1HG GLU 41 -5.011 -4.118 -4.464 300 H PHE 42 H PHE 42 -6.489 -2.940 -0.693 301 HA PHE 42 HA PHE 42 -8.233 -4.575 0.999 302 1HB PHE 42 2HB PHE 42 -6.853 -3.153 2.308 303 2HB PHE 42 1HB PHE 42 -7.164 -1.767 1.271 304 HD1 PHE 42 1HD PHE 42 -9.317 -0.610 1.356 305 HD2 PHE 42 2HD PHE 42 -8.366 -3.756 4.062 306 HE1 PHE 42 1HE PHE 42 -11.164 0.096 2.815 307 HE2 PHE 42 2HE PHE 42 -10.211 -3.052 5.531 308 HZ PHE 42 HZ PHE 42 -11.614 -1.124 4.909 309 H LYS 43 H LYS 43 -10.410 -3.801 1.441 310 HA LYS 43 HA LYS 43 -11.576 -1.965 -0.482 311 1HB LYS 43 2HB LYS 43 -12.038 -4.908 -0.490 312 2HB LYS 43 1HB LYS 43 -13.415 -3.859 -0.797 313 1HG LYS 43 2HG LYS 43 -12.740 -4.053 -2.928 314 2HG LYS 43 1HG LYS 43 -11.620 -2.766 -2.473 315 1HD LYS 43 2HD LYS 43 -10.186 -4.283 -3.444 316 2HD LYS 43 1HD LYS 43 -10.091 -4.762 -1.748 317 1HE LYS 43 2HE LYS 43 -11.572 -6.589 -2.096 318 2HE LYS 43 1HE LYS 43 -11.995 -6.020 -3.711 319 1HZ LYS 43 1HZ LYS 43 -9.638 -7.477 -2.811 320 2HZ LYS 43 2HZ LYS 43 -9.385 -6.301 -4.000 321 3HZ LYS 43 3HZ LYS 43 -10.471 -7.566 -4.281 322 H ARG 44 H ARG 44 -14.040 -1.833 -0.036 323 HA ARG 44 HA ARG 44 -14.369 -1.568 2.834 324 1HB ARG 44 2HB ARG 44 -14.968 0.184 0.898 325 2HB ARG 44 1HB ARG 44 -16.494 -0.680 0.986 326 1HG ARG 44 2HG ARG 44 -17.069 0.595 2.696 327 2HG ARG 44 1HG ARG 44 -15.774 -0.148 3.635 328 1HD ARG 44 2HD ARG 44 -15.237 2.149 1.783 329 2HD ARG 44 1HD ARG 44 -15.825 2.416 3.423 330 HE ARG 44 HE ARG 44 -13.185 1.594 2.639 331 1HH1 ARG 44 1HH1 ARG 44 -15.533 1.591 5.220 332 2HH1 ARG 44 2HH1 ARG 44 -14.346 1.418 6.469 333 1HH2 ARG 44 1HH2 ARG 44 -11.622 1.367 4.280 334 2HH2 ARG 44 2HH2 ARG 44 -12.125 1.292 5.935 335 H LYS 45 H LYS 45 -14.953 -3.360 3.653 336 HA LYS 45 HA LYS 45 -16.427 -4.963 4.407 337 1HB LYS 45 2HB LYS 45 -18.141 -3.405 3.005 338 2HB LYS 45 1HB LYS 45 -18.214 -4.879 2.050 339 1HG LYS 45 2HG LYS 45 -18.599 -4.876 5.027 340 2HG LYS 45 1HG LYS 45 -19.928 -4.619 3.894 341 1HD LYS 45 2HD LYS 45 -19.973 -6.783 3.257 342 2HD LYS 45 1HD LYS 45 -18.217 -6.944 3.322 343 1HE LYS 45 2HE LYS 45 -19.534 -8.309 5.001 344 2HE LYS 45 1HE LYS 45 -18.236 -7.310 5.651 345 1HZ LYS 45 1HZ LYS 45 -19.804 -5.706 6.395 346 2HZ LYS 45 2HZ LYS 45 -20.351 -7.216 6.924 347 3HZ LYS 45 3HZ LYS 45 -21.081 -6.473 5.591 348 H MET 46 H MET 46 -15.924 -4.907 0.889 349 HA MET 46 HA MET 46 -16.103 -7.628 0.381 350 1HB MET 46 2HB MET 46 -15.805 -5.684 -1.269 351 2HB MET 46 1HB MET 46 -14.081 -5.854 -0.972 352 1HG MET 46 2HG MET 46 -13.921 -7.758 -2.160 353 2HG MET 46 1HG MET 46 -15.515 -8.329 -1.667 354 1HE MET 46 1HE MET 46 -16.006 -8.463 -5.430 355 2HE MET 46 2HE MET 46 -16.960 -8.900 -4.012 356 3HE MET 46 3HE MET 46 -15.237 -9.272 -4.064 357 H LYS 47 H LYS 47 -14.223 -9.073 -0.248 358 HA LYS 47 HA LYS 47 -12.446 -9.253 2.027 359 1HB LYS 47 2HB LYS 47 -11.751 -11.407 0.987 360 2HB LYS 47 1HB LYS 47 -13.480 -11.292 1.284 361 1HG LYS 47 2HG LYS 47 -12.572 -10.440 -1.387 362 2HG LYS 47 1HG LYS 47 -12.415 -12.157 -1.019 363 1HD LYS 47 2HD LYS 47 -14.920 -11.626 -0.089 364 2HD LYS 47 1HD LYS 47 -14.816 -10.533 -1.470 365 1HE LYS 47 2HE LYS 47 -13.996 -12.530 -2.803 366 2HE LYS 47 1HE LYS 47 -14.497 -13.523 -1.435 367 1HZ LYS 47 1HZ LYS 47 -16.352 -13.567 -2.762 368 2HZ LYS 47 2HZ LYS 47 -16.151 -11.980 -3.312 369 3HZ LYS 47 3HZ LYS 47 -16.727 -12.265 -1.747 370 HA PRO 48 HA PRO 48 -9.116 -7.305 -0.220 371 1HB PRO 48 2HB PRO 48 -7.278 -7.331 1.727 372 2HB PRO 48 1HB PRO 48 -8.696 -6.279 1.808 373 1HG PRO 48 2HG PRO 48 -8.179 -8.873 3.194 374 2HG PRO 48 1HG PRO 48 -8.959 -7.406 3.811 375 1HD PRO 48 2HD PRO 48 -10.303 -9.646 2.898 376 2HD PRO 48 1HD PRO 48 -10.999 -8.018 2.996 377 H PHE 49 H PHE 49 -6.577 -7.786 -0.244 378 HA PHE 49 HA PHE 49 -6.117 -10.670 -0.471 379 1HB PHE 49 2HB PHE 49 -6.665 -10.032 -2.715 380 2HB PHE 49 1HB PHE 49 -5.620 -8.619 -2.632 381 HD1 PHE 49 1HD PHE 49 -3.278 -8.780 -3.051 382 HD2 PHE 49 2HD PHE 49 -5.671 -12.296 -2.833 383 HE1 PHE 49 1HE PHE 49 -1.414 -10.097 -3.951 384 HE2 PHE 49 2HE PHE 49 -3.806 -13.621 -3.740 385 HZ PHE 49 HZ PHE 49 -1.673 -12.523 -4.295 386 H LEU 50 H LEU 50 -4.567 -10.947 1.031 387 HA LEU 50 HA LEU 50 -2.358 -9.035 1.163 388 1HB LEU 50 2HB LEU 50 -3.629 -10.926 3.048 389 2HB LEU 50 1HB LEU 50 -1.888 -10.796 3.175 390 HG LEU 50 HG LEU 50 -3.893 -8.568 3.499 391 1HD1 LEU 50 1HD1 LEU 50 -3.868 -9.729 5.500 392 2HD1 LEU 50 2HD1 LEU 50 -2.642 -8.488 5.761 393 3HD1 LEU 50 3HD1 LEU 50 -2.158 -10.137 5.361 394 1HD2 LEU 50 1HD2 LEU 50 -1.508 -7.527 4.274 395 2HD2 LEU 50 2HD2 LEU 50 -2.249 -7.274 2.691 396 3HD2 LEU 50 3HD2 LEU 50 -1.023 -8.523 2.900 397 H LYS 51 H LYS 51 -0.676 -9.524 -0.132 398 HA LYS 51 HA LYS 51 -0.200 -11.811 -1.526 399 1HB LYS 51 2HB LYS 51 1.064 -9.776 -1.904 400 2HB LYS 51 1HB LYS 51 1.862 -9.944 -0.348 401 1HG LYS 51 2HG LYS 51 3.083 -11.839 -1.080 402 2HG LYS 51 1HG LYS 51 2.112 -11.978 -2.548 403 1HD LYS 51 2HD LYS 51 2.977 -9.692 -3.187 404 2HD LYS 51 1HD LYS 51 4.116 -9.842 -1.848 405 1HE LYS 51 2HE LYS 51 5.011 -11.893 -2.850 406 2HE LYS 51 1HE LYS 51 3.880 -11.727 -4.191 407 1HZ LYS 51 1HZ LYS 51 5.689 -9.498 -3.582 408 2HZ LYS 51 2HZ LYS 51 5.029 -9.973 -5.065 409 3HZ LYS 51 3HZ LYS 51 6.308 -10.850 -4.390 410 H SER 52 H SER 52 1.011 -11.107 1.743 411 HA SER 52 HA SER 52 0.868 -13.772 2.594 412 1HB SER 52 2HB SER 52 3.043 -13.443 0.939 413 2HB SER 52 1HB SER 52 3.748 -13.222 2.540 414 HG SER 52 HG SER 52 2.425 -15.464 1.472 415 H GLY 53 H GLY 53 2.001 -14.106 4.711 416 1HA GLY 53 2HA GLY 53 1.315 -12.127 6.512 417 2HA GLY 53 1HA GLY 53 2.435 -13.414 6.913 418 H ALA 54 H ALA 54 4.033 -12.037 4.438 419 HA ALA 54 HA ALA 54 5.789 -10.621 6.182 420 1HB ALA 54 1HB ALA 54 6.133 -10.265 3.283 421 2HB ALA 54 2HB ALA 54 6.148 -11.932 3.858 422 3HB ALA 54 3HB ALA 54 7.294 -10.763 4.515 423 H PHE 55 H PHE 55 2.910 -9.641 5.028 424 HA PHE 55 HA PHE 55 3.746 -6.830 5.072 425 1HB PHE 55 2HB PHE 55 1.714 -7.957 3.141 426 2HB PHE 55 1HB PHE 55 2.190 -6.276 3.280 427 HD1 PHE 55 1HD PHE 55 4.558 -5.649 2.749 428 HD2 PHE 55 2HD PHE 55 2.896 -9.427 1.758 429 HE1 PHE 55 1HE PHE 55 6.319 -5.968 1.063 430 HE2 PHE 55 2HE PHE 55 4.660 -9.772 0.075 431 HZ PHE 55 HZ PHE 55 6.377 -8.038 -0.275 432 H GLU 56 H GLU 56 2.074 -5.342 5.651 433 HA GLU 56 HA GLU 56 -0.410 -6.374 6.703 434 1HB GLU 56 2HB GLU 56 1.801 -5.356 8.464 435 2HB GLU 56 1HB GLU 56 0.122 -5.134 8.936 436 1HG GLU 56 2HG GLU 56 0.324 -7.122 9.911 437 2HG GLU 56 1HG GLU 56 0.177 -7.780 8.282 438 H ILE 57 H ILE 57 -1.923 -4.961 6.155 439 HA ILE 57 HA ILE 57 -1.223 -2.354 5.194 440 HB ILE 57 HB ILE 57 -3.038 -3.677 4.168 441 1HG1 ILE 57 2HG1 ILE 57 -4.382 -1.234 5.228 442 2HG1 ILE 57 1HG1 ILE 57 -2.870 -1.035 4.351 443 1HG2 ILE 57 1HG2 ILE 57 -5.108 -2.993 6.071 444 2HG2 ILE 57 2HG2 ILE 57 -3.899 -4.063 6.777 445 3HG2 ILE 57 3HG2 ILE 57 -4.744 -4.539 5.304 446 1HD1 ILE 57 1HD1 ILE 57 -3.775 -1.716 2.365 447 2HD1 ILE 57 2HD1 ILE 57 -5.167 -0.933 3.114 448 3HD1 ILE 57 3HD1 ILE 57 -5.023 -2.691 3.141 449 H LEU 58 H LEU 58 -0.558 -0.948 6.698 450 HA LEU 58 HA LEU 58 -1.348 -0.766 9.345 451 1HB LEU 58 2HB LEU 58 0.235 0.746 7.515 452 2HB LEU 58 1HB LEU 58 -0.781 1.859 8.410 453 HG LEU 58 HG LEU 58 0.145 1.178 10.495 454 1HD1 LEU 58 1HD1 LEU 58 0.467 -1.060 10.606 455 2HD1 LEU 58 2HD1 LEU 58 2.123 -0.599 10.214 456 3HD1 LEU 58 3HD1 LEU 58 1.042 -1.173 8.944 457 1HD2 LEU 58 1HD2 LEU 58 1.958 1.861 8.277 458 2HD2 LEU 58 2HD2 LEU 58 2.729 1.275 9.751 459 3HD2 LEU 58 3HD2 LEU 58 1.673 2.687 9.810 460 H ALA 59 H ALA 59 -2.612 0.930 10.415 461 HA ALA 59 HA ALA 59 -5.257 1.026 9.451 462 1HB ALA 59 1HB ALA 59 -4.388 1.194 11.867 463 2HB ALA 59 2HB ALA 59 -5.798 2.151 11.415 464 3HB ALA 59 3HB ALA 59 -4.212 2.915 11.528 465 H ASN 60 H ASN 60 -2.542 3.078 8.907 466 HA ASN 60 HA ASN 60 -4.225 5.265 7.945 467 1HB ASN 60 2HB ASN 60 -1.925 6.364 7.557 468 2HB ASN 60 1HB ASN 60 -2.459 6.131 9.218 469 1HD2 ASN 60 1HD2 ASN 60 -1.537 4.426 10.439 470 2HD2 ASN 60 2HD2 ASN 60 0.020 3.793 10.036 471 H GLY 61 H GLY 61 -4.188 2.741 6.527 472 1HA GLY 61 2HA GLY 61 -4.037 1.936 4.382 473 2HA GLY 61 1HA GLY 61 -4.091 3.625 3.898 474 H ASP 62 H ASP 62 -1.543 2.174 5.837 475 HA ASP 62 HA ASP 62 0.324 2.707 3.625 476 1HB ASP 62 2HB ASP 62 0.586 2.929 6.599 477 2HB ASP 62 1HB ASP 62 2.022 2.616 5.632 478 H LEU 63 H LEU 63 2.110 1.261 3.316 479 HA LEU 63 HA LEU 63 1.342 -1.539 3.831 480 1HB LEU 63 2HB LEU 63 2.040 -0.616 1.550 481 2HB LEU 63 1HB LEU 63 3.670 -0.546 2.191 482 HG LEU 63 HG LEU 63 3.359 -3.057 2.702 483 1HD1 LEU 63 1HD1 LEU 63 0.845 -2.807 2.098 484 2HD1 LEU 63 2HD1 LEU 63 1.723 -4.251 1.591 485 3HD1 LEU 63 3HD1 LEU 63 1.417 -2.951 0.435 486 1HD2 LEU 63 1HD2 LEU 63 3.784 -3.503 0.157 487 2HD2 LEU 63 2HD2 LEU 63 4.953 -2.592 1.115 488 3HD2 LEU 63 3HD2 LEU 63 3.817 -1.743 0.069 489 H LYS 64 H LYS 64 2.239 -2.674 5.443 490 HA LYS 64 HA LYS 64 4.769 -1.697 6.586 491 1HB LYS 64 2HB LYS 64 2.723 -1.793 8.062 492 2HB LYS 64 1HB LYS 64 2.771 -3.543 7.896 493 1HG LYS 64 2HG LYS 64 5.248 -2.190 8.794 494 2HG LYS 64 1HG LYS 64 3.899 -2.275 9.930 495 1HD LYS 64 2HD LYS 64 3.818 -4.698 9.667 496 2HD LYS 64 1HD LYS 64 5.135 -4.627 8.495 497 1HE LYS 64 2HE LYS 64 6.249 -3.309 10.574 498 2HE LYS 64 1HE LYS 64 5.194 -4.430 11.434 499 1HZ LYS 64 1HZ LYS 64 6.224 -6.209 9.988 500 2HZ LYS 64 2HZ LYS 64 7.222 -5.541 11.179 501 3HZ LYS 64 3HZ LYS 64 7.398 -5.065 9.565 502 H ILE 65 H ILE 65 6.461 -2.784 5.813 503 HA ILE 65 HA ILE 65 6.188 -5.572 5.008 504 HB ILE 65 HB ILE 65 8.772 -4.058 4.948 505 1HG1 ILE 65 2HG1 ILE 65 6.453 -3.767 3.021 506 2HG1 ILE 65 1HG1 ILE 65 7.238 -2.497 3.949 507 1HG2 ILE 65 1HG2 ILE 65 7.640 -6.485 3.743 508 2HG2 ILE 65 2HG2 ILE 65 9.306 -6.092 4.161 509 3HG2 ILE 65 3HG2 ILE 65 8.612 -5.492 2.658 510 1HD1 ILE 65 1HD1 ILE 65 9.189 -3.797 2.323 511 2HD1 ILE 65 2HD1 ILE 65 8.650 -2.119 2.298 512 3HD1 ILE 65 3HD1 ILE 65 7.809 -3.329 1.328 513 H LYS 66 H LYS 66 7.121 -7.298 6.052 514 HA LYS 66 HA LYS 66 7.967 -6.836 8.779 515 1HB LYS 66 2HB LYS 66 6.361 -8.621 8.278 516 2HB LYS 66 1HB LYS 66 7.567 -9.420 7.280 517 1HG LYS 66 2HG LYS 66 8.298 -8.834 10.090 518 2HG LYS 66 1HG LYS 66 7.115 -10.112 9.798 519 1HD LYS 66 2HD LYS 66 8.905 -10.850 7.990 520 2HD LYS 66 1HD LYS 66 9.996 -9.978 9.070 521 1HE LYS 66 2HE LYS 66 8.080 -12.059 10.080 522 2HE LYS 66 1HE LYS 66 9.680 -12.483 9.473 523 1HZ LYS 66 1HZ LYS 66 9.324 -12.016 11.985 524 2HZ LYS 66 2HZ LYS 66 9.426 -10.393 11.523 525 3HZ LYS 66 3HZ LYS 66 10.717 -11.441 11.215 526 H ASN 67 H ASN 67 9.308 -8.365 5.911 527 HA ASN 67 HA ASN 67 11.995 -7.809 6.895 528 1HB ASN 67 2HB ASN 67 10.864 -10.388 7.000 529 2HB ASN 67 1HB ASN 67 11.968 -10.406 5.629 530 1HD2 ASN 67 1HD2 ASN 67 13.698 -11.451 6.336 531 2HD2 ASN 67 2HD2 ASN 67 14.592 -11.062 7.763 532 H LEU 68 H LEU 68 12.797 -6.556 5.355 533 HA LEU 68 HA LEU 68 11.881 -6.336 2.757 534 1HB LEU 68 2HB LEU 68 14.466 -5.604 4.076 535 2HB LEU 68 1HB LEU 68 14.226 -5.327 2.360 536 HG LEU 68 HG LEU 68 12.148 -4.324 4.222 537 1HD1 LEU 68 1HD1 LEU 68 13.464 -2.208 4.480 538 2HD1 LEU 68 2HD1 LEU 68 14.873 -3.090 3.894 539 3HD1 LEU 68 3HD1 LEU 68 14.086 -3.582 5.390 540 1HD2 LEU 68 1HD2 LEU 68 11.535 -3.780 2.117 541 2HD2 LEU 68 2HD2 LEU 68 13.195 -3.740 1.524 542 3HD2 LEU 68 3HD2 LEU 68 12.557 -2.383 2.452 543 H THR 69 H THR 69 12.705 -6.953 0.773 544 HA THR 69 HA THR 69 14.734 -9.012 0.614 545 HB THR 69 HB THR 69 13.082 -10.472 -0.738 546 HG1 THR 69 1HG THR 69 11.290 -9.234 -0.833 547 1HG2 THR 69 1HG2 THR 69 13.986 -11.212 1.384 548 2HG2 THR 69 2HG2 THR 69 12.285 -11.650 1.232 549 3HG2 THR 69 3HG2 THR 69 12.757 -10.284 2.244 550 H ARG 70 H ARG 70 15.239 -9.592 -1.636 551 HA ARG 70 HA ARG 70 15.674 -7.388 -3.245 552 1HB ARG 70 2HB ARG 70 15.735 -9.267 -5.139 553 2HB ARG 70 1HB ARG 70 17.006 -9.096 -3.939 554 1HG ARG 70 2HG ARG 70 16.245 -10.939 -2.707 555 2HG ARG 70 1HG ARG 70 14.683 -10.950 -3.528 556 1HD ARG 70 2HD ARG 70 15.698 -12.663 -4.637 557 2HD ARG 70 1HD ARG 70 16.211 -11.317 -5.655 558 HE ARG 70 HE ARG 70 18.066 -11.827 -3.551 559 1HH1 ARG 70 1HH1 ARG 70 17.037 -12.929 -6.699 560 2HH1 ARG 70 2HH1 ARG 70 18.576 -13.614 -7.101 561 1HH2 ARG 70 1HH2 ARG 70 20.091 -12.726 -4.078 562 2HH2 ARG 70 2HH2 ARG 70 20.310 -13.500 -5.613 563 H ASP 71 H ASP 71 13.138 -9.857 -3.751 564 HA ASP 71 HA ASP 71 11.920 -8.671 -5.936 565 1HB ASP 71 2HB ASP 71 9.884 -9.965 -5.106 566 2HB ASP 71 1HB ASP 71 11.332 -10.897 -5.442 567 H ASP 72 H ASP 72 11.876 -7.724 -2.621 568 HA ASP 72 HA ASP 72 9.412 -6.236 -2.820 569 1HB ASP 72 2HB ASP 72 10.803 -7.288 -0.710 570 2HB ASP 72 1HB ASP 72 11.207 -5.578 -0.588 571 H SER 73 H SER 73 12.671 -5.678 -3.648 572 HA SER 73 HA SER 73 12.574 -2.810 -3.292 573 1HB SER 73 2HB SER 73 14.664 -4.402 -3.233 574 2HB SER 73 1HB SER 73 14.633 -4.187 -4.984 575 HG SER 73 HG SER 73 15.885 -2.559 -4.252 576 H GLY 74 H GLY 74 11.932 -1.336 -4.777 577 1HA GLY 74 2HA GLY 74 12.180 -1.138 -7.390 578 2HA GLY 74 1HA GLY 74 10.914 -2.355 -7.296 579 H THR 75 H THR 75 9.775 -0.672 -8.518 580 HA THR 75 HA THR 75 8.830 1.645 -6.995 581 HB THR 75 HB THR 75 7.764 0.960 -9.687 582 HG1 THR 75 1HG THR 75 9.819 0.477 -10.159 583 1HG2 THR 75 1HG2 THR 75 7.441 3.143 -8.318 584 2HG2 THR 75 2HG2 THR 75 7.717 3.213 -10.057 585 3HG2 THR 75 3HG2 THR 75 9.043 3.531 -8.941 586 H TYR 76 H TYR 76 6.970 1.670 -5.910 587 HA TYR 76 HA TYR 76 5.051 -0.519 -6.325 588 1HB TYR 76 2HB TYR 76 5.567 1.313 -3.982 589 2HB TYR 76 1HB TYR 76 4.106 0.341 -4.100 590 HD1 TYR 76 1HD TYR 76 4.110 -1.721 -3.050 591 HD2 TYR 76 2HD TYR 76 7.806 -0.080 -4.357 592 HE1 TYR 76 1HE TYR 76 5.309 -3.618 -2.030 593 HE2 TYR 76 2HE TYR 76 9.013 -1.963 -3.341 594 HH TYR 76 HH TYR 76 8.663 -4.184 -2.586 595 H ASN 77 H ASN 77 2.790 -0.027 -6.480 596 HA ASN 77 HA ASN 77 2.194 2.775 -7.148 597 1HB ASN 77 2HB ASN 77 1.864 0.344 -8.816 598 2HB ASN 77 1HB ASN 77 0.551 1.516 -8.862 599 1HD2 ASN 77 1HD2 ASN 77 3.585 0.688 -10.038 600 2HD2 ASN 77 2HD2 ASN 77 3.941 2.154 -10.879 601 H VAL 78 H VAL 78 0.488 3.563 -6.090 602 HA VAL 78 HA VAL 78 -1.399 1.640 -4.908 603 HB VAL 78 HB VAL 78 -1.520 4.405 -3.900 604 1HG1 VAL 78 1HG1 VAL 78 -2.534 3.378 -2.214 605 2HG1 VAL 78 2HG1 VAL 78 -1.180 2.272 -1.976 606 3HG1 VAL 78 3HG1 VAL 78 -2.430 1.898 -3.162 607 1HG2 VAL 78 1HG2 VAL 78 0.991 2.820 -3.701 608 2HG2 VAL 78 2HG2 VAL 78 0.431 3.669 -2.256 609 3HG2 VAL 78 3HG2 VAL 78 0.748 4.569 -3.740 610 H THR 79 H THR 79 -3.478 1.692 -5.464 611 HA THR 79 HA THR 79 -4.446 3.982 -7.045 612 HB THR 79 HB THR 79 -5.976 1.541 -7.437 613 HG1 THR 79 1HG THR 79 -4.422 0.190 -7.726 614 1HG2 THR 79 1HG2 THR 79 -4.452 2.562 -9.697 615 2HG2 THR 79 2HG2 THR 79 -5.440 3.782 -8.894 616 3HG2 THR 79 3HG2 THR 79 -6.188 2.309 -9.513 617 H VAL 80 H VAL 80 -5.452 5.129 -5.481 618 HA VAL 80 HA VAL 80 -7.180 3.787 -3.561 619 HB VAL 80 HB VAL 80 -6.390 6.693 -3.833 620 1HG1 VAL 80 1HG1 VAL 80 -7.891 5.380 -1.574 621 2HG1 VAL 80 2HG1 VAL 80 -8.621 6.412 -2.803 622 3HG1 VAL 80 3HG1 VAL 80 -7.422 7.077 -1.692 623 1HG2 VAL 80 1HG2 VAL 80 -5.576 5.287 -1.422 624 2HG2 VAL 80 2HG2 VAL 80 -4.624 6.267 -2.536 625 3HG2 VAL 80 3HG2 VAL 80 -4.905 4.562 -2.881 626 H TYR 81 H TYR 81 -9.305 3.607 -3.768 627 HA TYR 81 HA TYR 81 -10.681 5.372 -5.679 628 1HB TYR 81 2HB TYR 81 -11.313 2.518 -4.983 629 2HB TYR 81 1HB TYR 81 -12.313 3.535 -5.986 630 HD1 TYR 81 1HD TYR 81 -11.553 4.219 -8.228 631 HD2 TYR 81 2HD TYR 81 -9.290 1.516 -5.846 632 HE1 TYR 81 1HE TYR 81 -10.278 3.544 -10.217 633 HE2 TYR 81 2HE TYR 81 -8.011 0.835 -7.830 634 HH TYR 81 HH TYR 81 -8.200 0.819 -10.231 635 H SER 82 H SER 82 -12.789 5.966 -5.198 636 HA SER 82 HA SER 82 -13.294 6.305 -2.357 637 1HB SER 82 2HB SER 82 -15.311 7.577 -3.878 638 2HB SER 82 1HB SER 82 -13.968 8.317 -3.009 639 HG SER 82 HG SER 82 -14.051 7.479 -5.711 640 H THR 83 H THR 83 -15.688 6.322 -1.737 641 HA THR 83 HA THR 83 -16.679 3.706 -1.861 642 HB THR 83 HB THR 83 -18.809 4.784 -0.943 643 HG1 THR 83 1HG THR 83 -18.875 6.887 -0.732 644 1HG2 THR 83 1HG2 THR 83 -17.680 5.566 1.179 645 2HG2 THR 83 2HG2 THR 83 -16.153 5.166 0.392 646 3HG2 THR 83 3HG2 THR 83 -17.357 3.908 0.672 647 H ASN 84 H ASN 84 -17.015 6.311 -4.072 648 HA ASN 84 HA ASN 84 -19.391 5.160 -5.314 649 1HB ASN 84 2HB ASN 84 -17.833 7.692 -5.830 650 2HB ASN 84 1HB ASN 84 -19.155 7.157 -6.863 651 1HD2 ASN 84 1HD2 ASN 84 -18.423 7.719 -3.440 652 2HD2 ASN 84 2HD2 ASN 84 -19.957 8.408 -3.048 653 H GLY 85 H GLY 85 -16.706 3.829 -5.339 654 1HA GLY 85 2HA GLY 85 -15.423 2.628 -6.812 655 2HA GLY 85 1HA GLY 85 -16.782 2.764 -7.916 656 H THR 86 H THR 86 -15.328 5.688 -6.805 657 HA THR 86 HA THR 86 -14.281 6.150 -9.498 658 HB THR 86 HB THR 86 -14.167 8.390 -7.611 659 HG1 THR 86 1HG THR 86 -16.169 8.417 -6.994 660 1HG2 THR 86 1HG2 THR 86 -14.166 9.366 -9.602 661 2HG2 THR 86 2HG2 THR 86 -15.902 9.052 -9.634 662 3HG2 THR 86 3HG2 THR 86 -14.786 7.923 -10.404 663 H ARG 87 H ARG 87 -12.233 7.462 -9.628 664 HA ARG 87 HA ARG 87 -10.238 6.201 -7.913 665 1HB ARG 87 2HB ARG 87 -10.111 6.419 -10.508 666 2HB ARG 87 1HB ARG 87 -9.577 8.062 -10.176 667 1HG ARG 87 2HG ARG 87 -7.712 7.208 -8.871 668 2HG ARG 87 1HG ARG 87 -8.262 5.554 -9.151 669 1HD ARG 87 2HD ARG 87 -7.599 7.438 -11.398 670 2HD ARG 87 1HD ARG 87 -6.383 6.414 -10.637 671 HE ARG 87 HE ARG 87 -8.501 4.769 -11.355 672 1HH1 ARG 87 1HH1 ARG 87 -6.155 6.808 -12.943 673 2HH1 ARG 87 2HH1 ARG 87 -6.130 5.863 -14.392 674 1HH2 ARG 87 1HH2 ARG 87 -8.468 3.524 -13.261 675 2HH2 ARG 87 2HH2 ARG 87 -7.442 3.998 -14.575 676 H ILE 88 H ILE 88 -9.465 7.181 -6.183 677 HA ILE 88 HA ILE 88 -9.931 10.027 -5.806 678 HB ILE 88 HB ILE 88 -8.735 8.040 -3.876 679 1HG1 ILE 88 2HG1 ILE 88 -11.584 9.020 -4.163 680 2HG1 ILE 88 1HG1 ILE 88 -11.009 7.387 -4.481 681 1HG2 ILE 88 1HG2 ILE 88 -10.104 10.356 -2.776 682 2HG2 ILE 88 2HG2 ILE 88 -8.722 10.799 -3.779 683 3HG2 ILE 88 3HG2 ILE 88 -8.505 9.707 -2.411 684 1HD1 ILE 88 1HD1 ILE 88 -12.197 7.937 -2.245 685 2HD1 ILE 88 2HD1 ILE 88 -10.626 8.588 -1.781 686 3HD1 ILE 88 3HD1 ILE 88 -10.775 6.894 -2.248 687 H LEU 89 H LEU 89 -7.139 7.830 -5.367 688 HA LEU 89 HA LEU 89 -5.407 9.875 -6.505 689 1HB LEU 89 2HB LEU 89 -5.281 10.539 -4.254 690 2HB LEU 89 1HB LEU 89 -5.238 8.884 -3.677 691 HG LEU 89 HG LEU 89 -2.972 9.764 -5.381 692 1HD1 LEU 89 1HD1 LEU 89 -3.715 11.061 -2.850 693 2HD1 LEU 89 2HD1 LEU 89 -2.670 11.623 -4.154 694 3HD1 LEU 89 3HD1 LEU 89 -2.047 10.497 -2.949 695 1HD2 LEU 89 1HD2 LEU 89 -1.978 8.511 -3.179 696 2HD2 LEU 89 2HD2 LEU 89 -2.451 7.697 -4.670 697 3HD2 LEU 89 3HD2 LEU 89 -3.573 7.771 -3.313 698 H ASN 90 H ASN 90 -3.780 9.070 -7.645 699 HA ASN 90 HA ASN 90 -3.115 6.215 -7.356 700 1HB ASN 90 2HB ASN 90 -4.257 7.416 -9.588 701 2HB ASN 90 1HB ASN 90 -2.544 7.351 -9.989 702 1HD2 ASN 90 1HD2 ASN 90 -1.875 5.010 -8.614 703 2HD2 ASN 90 2HD2 ASN 90 -2.633 3.677 -9.408 704 H LYS 91 H LYS 91 -1.168 6.150 -6.398 705 HA LYS 91 HA LYS 91 0.856 8.100 -7.308 706 1HB LYS 91 2HB LYS 91 0.485 6.921 -4.557 707 2HB LYS 91 1HB LYS 91 1.854 7.912 -5.033 708 1HG LYS 91 2HG LYS 91 -0.928 8.940 -5.365 709 2HG LYS 91 1HG LYS 91 -0.143 8.978 -3.786 710 1HD LYS 91 2HD LYS 91 1.752 10.209 -4.809 711 2HD LYS 91 1HD LYS 91 0.859 10.251 -6.331 712 1HE LYS 91 2HE LYS 91 -0.442 11.269 -3.847 713 2HE LYS 91 1HE LYS 91 0.760 12.271 -4.659 714 1HZ LYS 91 1HZ LYS 91 -1.644 11.134 -5.978 715 2HZ LYS 91 2HZ LYS 91 -0.537 12.216 -6.658 716 3HZ LYS 91 3HZ LYS 91 -1.534 12.715 -5.386 717 H ALA 92 H ALA 92 3.092 7.455 -7.032 718 HA ALA 92 HA ALA 92 3.609 4.578 -7.082 719 1HB ALA 92 1HB ALA 92 3.317 5.228 -9.422 720 2HB ALA 92 2HB ALA 92 4.993 4.785 -9.090 721 3HB ALA 92 3HB ALA 92 4.540 6.484 -9.228 722 H LEU 93 H LEU 93 5.238 4.169 -5.712 723 HA LEU 93 HA LEU 93 7.152 6.342 -5.156 724 1HB LEU 93 2HB LEU 93 6.655 4.045 -3.298 725 2HB LEU 93 1HB LEU 93 7.324 5.624 -2.938 726 HG LEU 93 HG LEU 93 4.979 6.526 -3.534 727 1HD1 LEU 93 1HD1 LEU 93 4.549 3.598 -3.524 728 2HD1 LEU 93 2HD1 LEU 93 3.727 4.864 -4.435 729 3HD1 LEU 93 3HD1 LEU 93 3.327 4.598 -2.739 730 1HD2 LEU 93 1HD2 LEU 93 4.174 5.679 -1.183 731 2HD2 LEU 93 2HD2 LEU 93 5.535 6.790 -1.326 732 3HD2 LEU 93 3HD2 LEU 93 5.825 5.069 -1.078 733 H ASP 94 H ASP 94 9.317 5.619 -4.422 734 HA ASP 94 HA ASP 94 10.197 3.259 -5.949 735 1HB ASP 94 2HB ASP 94 11.695 5.814 -5.329 736 2HB ASP 94 1HB ASP 94 12.398 4.412 -6.130 737 H LEU 95 H LEU 95 10.618 1.619 -4.600 738 HA LEU 95 HA LEU 95 11.590 2.204 -1.908 739 1HB LEU 95 2HB LEU 95 9.660 0.492 -2.775 740 2HB LEU 95 1HB LEU 95 11.029 -0.591 -2.646 741 HG LEU 95 HG LEU 95 9.769 1.040 -0.452 742 1HD1 LEU 95 1HD1 LEU 95 9.985 -1.549 0.382 743 2HD1 LEU 95 2HD1 LEU 95 9.645 -1.736 -1.338 744 3HD1 LEU 95 3HD1 LEU 95 8.541 -0.816 -0.317 745 1HD2 LEU 95 1HD2 LEU 95 11.506 0.632 0.966 746 2HD2 LEU 95 2HD2 LEU 95 12.400 0.807 -0.541 747 3HD2 LEU 95 3HD2 LEU 95 12.037 -0.801 0.088 748 H ARG 96 H ARG 96 13.780 2.496 -2.047 749 HA ARG 96 HA ARG 96 15.362 0.476 -3.458 750 1HB ARG 96 2HB ARG 96 16.894 2.672 -2.303 751 2HB ARG 96 1HB ARG 96 16.826 2.081 -3.949 752 1HG ARG 96 2HG ARG 96 14.804 3.944 -2.744 753 2HG ARG 96 1HG ARG 96 16.166 4.440 -3.746 754 1HD ARG 96 2HD ARG 96 13.765 2.809 -4.522 755 2HD ARG 96 1HD ARG 96 14.320 4.337 -5.205 756 HE ARG 96 HE ARG 96 16.367 2.690 -5.758 757 1HH1 ARG 96 1HH1 ARG 96 12.925 2.384 -6.249 758 2HH1 ARG 96 2HH1 ARG 96 13.089 1.383 -7.653 759 1HH2 ARG 96 1HH2 ARG 96 16.583 1.375 -7.605 760 2HH2 ARG 96 2HH2 ARG 96 15.164 0.810 -8.422 761 H ILE 97 H ILE 97 16.242 -1.114 -2.339 762 HA ILE 97 HA ILE 97 16.915 -0.650 0.491 763 HB ILE 97 HB ILE 97 15.877 -3.267 -0.575 764 1HG1 ILE 97 2HG1 ILE 97 14.034 -1.958 1.196 765 2HG1 ILE 97 1HG1 ILE 97 14.398 -0.887 -0.149 766 1HG2 ILE 97 1HG2 ILE 97 16.035 -4.065 1.537 767 2HG2 ILE 97 2HG2 ILE 97 15.679 -2.502 2.269 768 3HG2 ILE 97 3HG2 ILE 97 17.295 -2.836 1.650 769 1HD1 ILE 97 1HD1 ILE 97 13.198 -2.098 -1.568 770 2HD1 ILE 97 2HD1 ILE 97 12.528 -2.887 -0.140 771 3HD1 ILE 97 3HD1 ILE 97 13.888 -3.617 -0.996 772 H LEU 98 H LEU 98 18.936 -1.171 1.052 773 HA LEU 98 HA LEU 98 20.719 -2.286 -0.882 774 1HB LEU 98 2HB LEU 98 20.878 -0.944 1.758 775 2HB LEU 98 1HB LEU 98 22.207 -1.972 1.298 776 HG LEU 98 HG LEU 98 21.195 0.373 -0.292 777 1HD1 LEU 98 1HD1 LEU 98 23.907 0.374 0.864 778 2HD1 LEU 98 2HD1 LEU 98 22.575 0.555 2.005 779 3HD1 LEU 98 3HD1 LEU 98 22.753 1.692 0.668 780 1HD2 LEU 98 1HD2 LEU 98 22.123 -1.108 -1.847 781 2HD2 LEU 98 2HD2 LEU 98 23.408 -1.603 -0.745 782 3HD2 LEU 98 3HD2 LEU 98 23.437 0.005 -1.470 783 H GLU 99 H GLU 99 22.326 -3.905 -0.066 784 HA GLU 99 HA GLU 99 20.885 -6.120 1.213 785 1HB GLU 99 2HB GLU 99 23.219 -6.047 -0.690 786 2HB GLU 99 1HB GLU 99 22.784 -7.501 0.198 787 1HG GLU 99 2HG GLU 99 20.513 -7.351 -0.813 788 2HG GLU 99 1HG GLU 99 21.104 -6.022 -1.809 Start of MODEL 4 1 1H ARG 1 1H ARG 1 10.182 13.946 3.934 2 2H ARG 1 2H ARG 1 9.839 13.731 2.266 3 3H ARG 1 3H ARG 1 11.426 14.147 2.772 4 HA ARG 1 HA ARG 1 11.559 11.929 2.319 5 1HB ARG 1 2HB ARG 1 12.039 12.902 4.793 6 2HB ARG 1 1HB ARG 1 10.894 11.629 5.194 7 1HG ARG 1 2HG ARG 1 12.337 9.971 4.662 8 2HG ARG 1 1HG ARG 1 13.101 10.899 3.371 9 1HD ARG 1 2HD ARG 1 14.453 12.087 4.875 10 2HD ARG 1 1HD ARG 1 13.467 11.621 6.261 11 HE ARG 1 HE ARG 1 14.695 9.704 6.430 12 1HH1 ARG 1 1HH1 ARG 1 15.167 11.041 3.242 13 2HH1 ARG 1 2HH1 ARG 1 16.395 9.900 2.809 14 1HH2 ARG 1 1HH2 ARG 1 16.310 8.201 5.863 15 2HH2 ARG 1 2HH2 ARG 1 17.043 8.287 4.295 16 H ASP 2 H ASP 2 10.722 9.688 3.460 17 HA ASP 2 HA ASP 2 9.080 8.116 3.550 18 1HB ASP 2 2HB ASP 2 7.103 10.394 3.751 19 2HB ASP 2 1HB ASP 2 6.865 8.724 4.256 20 H SER 3 H SER 3 7.460 10.800 1.845 21 HA SER 3 HA SER 3 6.336 9.123 -0.131 22 1HB SER 3 2HB SER 3 6.688 12.096 0.134 23 2HB SER 3 1HB SER 3 6.058 11.402 -1.359 24 HG SER 3 HG SER 3 4.605 12.022 0.593 25 H GLY 4 H GLY 4 6.911 8.742 -2.263 26 1HA GLY 4 2HA GLY 4 8.269 8.675 -4.139 27 2HA GLY 4 1HA GLY 4 9.276 9.915 -3.409 28 H THR 5 H THR 5 11.176 8.866 -4.015 29 HA THR 5 HA THR 5 11.866 6.217 -3.655 30 HB THR 5 HB THR 5 13.836 8.427 -3.119 31 HG1 THR 5 1HG THR 5 12.842 7.647 -5.658 32 1HG2 THR 5 1HG2 THR 5 15.304 6.799 -3.348 33 2HG2 THR 5 2HG2 THR 5 14.781 6.613 -5.022 34 3HG2 THR 5 3HG2 THR 5 14.031 5.648 -3.750 35 H VAL 6 H VAL 6 12.876 5.042 -2.099 36 HA VAL 6 HA VAL 6 13.065 6.179 0.585 37 HB VAL 6 HB VAL 6 10.837 4.838 -0.031 38 1HG1 VAL 6 1HG1 VAL 6 10.937 2.554 0.449 39 2HG1 VAL 6 2HG1 VAL 6 12.622 2.668 0.958 40 3HG1 VAL 6 3HG1 VAL 6 12.192 2.913 -0.736 41 1HG2 VAL 6 1HG2 VAL 6 11.075 5.819 2.119 42 2HG2 VAL 6 2HG2 VAL 6 12.388 4.721 2.549 43 3HG2 VAL 6 3HG2 VAL 6 10.743 4.109 2.394 44 H TRP 7 H TRP 7 14.552 5.141 1.932 45 HA TRP 7 HA TRP 7 16.238 3.137 0.586 46 1HB TRP 7 2HB TRP 7 17.043 5.267 2.578 47 2HB TRP 7 1HB TRP 7 18.121 4.031 1.933 48 HD1 TRP 7 HD TRP 7 16.249 7.211 0.879 49 HE1 TRP 7 1HE TRP 7 17.291 8.088 -1.305 50 HE3 TRP 7 3HE TRP 7 19.425 3.331 -0.114 51 HZ2 TRP 7 2HZ TRP 7 19.211 7.246 -3.197 52 HZ3 TRP 7 3HZ TRP 7 20.831 3.445 -2.132 53 HH2 TRP 7 HH TRP 7 20.723 5.361 -3.642 54 H GLY 8 H GLY 8 16.442 1.220 1.530 55 1HA GLY 8 2HA GLY 8 16.015 1.000 4.430 56 2HA GLY 8 1HA GLY 8 14.946 0.071 3.399 57 H ALA 9 H ALA 9 16.139 -1.524 5.001 58 HA ALA 9 HA ALA 9 18.406 -2.634 3.482 59 1HB ALA 9 1HB ALA 9 19.418 -3.383 5.583 60 2HB ALA 9 2HB ALA 9 18.151 -2.548 6.482 61 3HB ALA 9 3HB ALA 9 19.288 -1.626 5.500 62 H LEU 10 H LEU 10 18.313 -4.742 3.028 63 HA LEU 10 HA LEU 10 15.924 -6.168 3.191 64 1HB LEU 10 2HB LEU 10 18.342 -6.523 1.949 65 2HB LEU 10 1HB LEU 10 18.355 -7.822 3.126 66 HG LEU 10 HG LEU 10 15.999 -8.388 2.163 67 1HD1 LEU 10 1HD1 LEU 10 16.300 -7.819 -0.432 68 2HD1 LEU 10 2HD1 LEU 10 17.047 -6.381 0.259 69 3HD1 LEU 10 3HD1 LEU 10 15.383 -6.795 0.672 70 1HD2 LEU 10 1HD2 LEU 10 18.295 -8.914 0.320 71 2HD2 LEU 10 2HD2 LEU 10 16.973 -9.983 0.792 72 3HD2 LEU 10 3HD2 LEU 10 18.254 -9.601 1.944 73 H GLY 11 H GLY 11 15.027 -7.514 4.632 74 1HA GLY 11 2HA GLY 11 14.924 -8.959 6.468 75 2HA GLY 11 1HA GLY 11 16.597 -8.569 6.841 76 H HIS 12 H HIS 12 15.399 -5.617 6.395 77 HA HIS 12 HA HIS 12 14.657 -5.355 9.223 78 1HB HIS 12 2HB HIS 12 16.429 -3.939 9.102 79 2HB HIS 12 1HB HIS 12 16.303 -3.772 7.357 80 HD1 HIS 12 1HD HIS 12 14.903 -1.865 6.444 81 HD2 HIS 12 2HD HIS 12 15.094 -1.966 10.588 82 HE1 HIS 12 1HE HIS 12 14.091 0.398 7.210 83 HE2 HIS 12 2HE HIS 12 14.301 0.342 9.721 84 H GLY 13 H GLY 13 13.130 -3.474 9.645 85 1HA GLY 13 2HA GLY 13 10.719 -3.941 8.183 86 2HA GLY 13 1HA GLY 13 10.946 -2.746 9.455 87 H ILE 14 H ILE 14 9.405 -1.695 7.813 88 HA ILE 14 HA ILE 14 10.399 0.581 6.781 89 HB ILE 14 HB ILE 14 11.864 -0.733 5.301 90 1HG1 ILE 14 2HG1 ILE 14 10.624 0.271 3.073 91 2HG1 ILE 14 1HG1 ILE 14 9.906 1.231 4.360 92 1HG2 ILE 14 1HG2 ILE 14 9.269 -1.836 4.308 93 2HG2 ILE 14 2HG2 ILE 14 10.691 -2.706 4.877 94 3HG2 ILE 14 3HG2 ILE 14 10.731 -1.868 3.326 95 1HD1 ILE 14 1HD1 ILE 14 12.856 0.877 4.327 96 2HD1 ILE 14 2HD1 ILE 14 11.883 2.234 4.900 97 3HD1 ILE 14 3HD1 ILE 14 12.112 1.983 3.170 98 H ASP 15 H ASP 15 8.744 1.857 6.095 99 HA ASP 15 HA ASP 15 6.234 0.502 5.355 100 1HB ASP 15 2HB ASP 15 6.099 1.351 7.652 101 2HB ASP 15 1HB ASP 15 6.543 2.960 7.091 102 H LEU 16 H LEU 16 5.450 1.066 3.455 103 HA LEU 16 HA LEU 16 6.597 3.249 1.962 104 1HB LEU 16 2HB LEU 16 4.996 0.891 1.422 105 2HB LEU 16 1HB LEU 16 4.327 2.283 0.608 106 HG LEU 16 HG LEU 16 5.827 2.122 -1.028 107 1HD1 LEU 16 1HD1 LEU 16 8.270 2.043 -0.663 108 2HD1 LEU 16 2HD1 LEU 16 7.978 1.950 1.072 109 3HD1 LEU 16 3HD1 LEU 16 7.479 3.381 0.165 110 1HD2 LEU 16 1HD2 LEU 16 5.448 -0.270 -0.613 111 2HD2 LEU 16 2HD2 LEU 16 6.875 -0.298 0.423 112 3HD2 LEU 16 3HD2 LEU 16 7.040 0.056 -1.297 113 H ASP 17 H ASP 17 5.963 5.282 2.342 114 HA ASP 17 HA ASP 17 3.267 5.767 3.336 115 1HB ASP 17 2HB ASP 17 5.750 7.451 3.194 116 2HB ASP 17 1HB ASP 17 4.176 8.163 3.537 117 H ILE 18 H ILE 18 1.677 6.444 2.134 118 HA ILE 18 HA ILE 18 2.047 7.064 -0.652 119 HB ILE 18 HB ILE 18 -0.453 7.077 1.030 120 1HG1 ILE 18 2HG1 ILE 18 1.010 4.940 -0.450 121 2HG1 ILE 18 1HG1 ILE 18 0.223 4.860 1.112 122 1HG2 ILE 18 1HG2 ILE 18 -0.297 6.819 -1.957 123 2HG2 ILE 18 2HG2 ILE 18 -0.484 8.376 -1.150 124 3HG2 ILE 18 3HG2 ILE 18 -1.713 7.126 -0.953 125 1HD1 ILE 18 1HD1 ILE 18 -1.054 4.779 -1.585 126 2HD1 ILE 18 2HD1 ILE 18 -1.968 5.069 -0.103 127 3HD1 ILE 18 3HD1 ILE 18 -1.085 3.557 -0.313 128 HA PRO 19 HA PRO 19 2.475 11.472 0.155 129 1HB PRO 19 2HB PRO 19 1.970 11.640 -2.762 130 2HB PRO 19 1HB PRO 19 3.313 12.285 -1.813 131 1HG PRO 19 2HG PRO 19 3.651 10.158 -3.384 132 2HG PRO 19 1HG PRO 19 4.447 10.261 -1.802 133 1HD PRO 19 2HD PRO 19 2.015 8.714 -2.603 134 2HD PRO 19 1HD PRO 19 3.351 8.235 -1.539 135 H ASN 20 H ASN 20 0.990 12.865 0.776 136 HA ASN 20 HA ASN 20 -1.076 13.730 1.234 137 1HB ASN 20 2HB ASN 20 -0.963 13.860 -1.779 138 2HB ASN 20 1HB ASN 20 -2.160 14.711 -0.807 139 1HD2 ASN 20 1HD2 ASN 20 -0.981 15.861 1.155 140 2HD2 ASN 20 2HD2 ASN 20 0.330 16.877 0.672 141 H PHE 21 H PHE 21 -1.692 11.367 1.881 142 HA PHE 21 HA PHE 21 -4.233 10.806 0.579 143 1HB PHE 21 2HB PHE 21 -3.032 9.166 -0.500 144 2HB PHE 21 1HB PHE 21 -1.920 8.938 0.839 145 HD1 PHE 21 1HD PHE 21 -5.520 8.490 0.016 146 HD2 PHE 21 2HD PHE 21 -2.109 7.040 2.075 147 HE1 PHE 21 1HE PHE 21 -6.810 6.522 0.759 148 HE2 PHE 21 2HE PHE 21 -3.376 5.065 2.818 149 HZ PHE 21 HZ PHE 21 -5.736 4.805 2.157 150 H GLN 22 H GLN 22 -5.771 9.819 1.935 151 HA GLN 22 HA GLN 22 -5.015 9.443 4.742 152 1HB GLN 22 2HB GLN 22 -6.929 11.444 3.656 153 2HB GLN 22 1HB GLN 22 -7.379 10.620 5.141 154 1HG GLN 22 2HG GLN 22 -5.519 11.463 6.299 155 2HG GLN 22 1HG GLN 22 -4.725 11.976 4.810 156 1HE2 GLN 22 1HE2 GLN 22 -7.689 12.520 6.677 157 2HE2 GLN 22 2HE2 GLN 22 -7.788 14.214 6.351 158 H MET 23 H MET 23 -5.642 7.481 5.320 159 HA MET 23 HA MET 23 -7.664 6.060 3.833 160 1HB MET 23 2HB MET 23 -5.639 4.909 4.604 161 2HB MET 23 1HB MET 23 -6.079 5.240 6.274 162 1HG MET 23 2HG MET 23 -6.947 3.182 6.199 163 2HG MET 23 1HG MET 23 -8.309 3.985 5.419 164 1HE MET 23 1HE MET 23 -7.661 0.455 4.129 165 2HE MET 23 2HE MET 23 -8.957 1.424 3.428 166 3HE MET 23 3HE MET 23 -8.614 1.528 5.154 167 H THR 24 H THR 24 -9.406 7.572 4.395 168 HA THR 24 HA THR 24 -10.490 7.095 7.091 169 HB THR 24 HB THR 24 -11.743 9.163 6.840 170 HG1 THR 24 1HG THR 24 -10.486 9.441 4.316 171 1HG2 THR 24 1HG2 THR 24 -8.831 9.159 6.587 172 2HG2 THR 24 2HG2 THR 24 -9.878 10.010 7.724 173 3HG2 THR 24 3HG2 THR 24 -9.611 10.665 6.108 174 H ASP 25 H ASP 25 -13.083 7.698 6.810 175 HA ASP 25 HA ASP 25 -14.218 5.392 5.730 176 1HB ASP 25 2HB ASP 25 -16.396 6.581 6.001 177 2HB ASP 25 1HB ASP 25 -15.378 6.646 7.436 178 H ASP 26 H ASP 26 -13.553 8.496 4.285 179 HA ASP 26 HA ASP 26 -15.223 8.311 2.035 180 1HB ASP 26 2HB ASP 26 -13.596 10.232 3.000 181 2HB ASP 26 1HB ASP 26 -12.588 9.625 1.690 182 H ILE 27 H ILE 27 -12.161 6.837 2.783 183 HA ILE 27 HA ILE 27 -11.681 6.013 0.055 184 HB ILE 27 HB ILE 27 -10.212 5.343 2.608 185 1HG1 ILE 27 2HG1 ILE 27 -10.005 7.696 2.176 186 2HG1 ILE 27 1HG1 ILE 27 -8.518 6.938 1.657 187 1HG2 ILE 27 1HG2 ILE 27 -8.397 4.604 1.137 188 2HG2 ILE 27 2HG2 ILE 27 -9.432 4.874 -0.264 189 3HG2 ILE 27 3HG2 ILE 27 -9.857 3.639 0.920 190 1HD1 ILE 27 1HD1 ILE 27 -10.574 8.327 0.092 191 2HD1 ILE 27 2HD1 ILE 27 -9.880 6.889 -0.653 192 3HD1 ILE 27 3HD1 ILE 27 -8.830 8.218 -0.158 193 H ASP 28 H ASP 28 -12.423 4.057 -0.784 194 HA ASP 28 HA ASP 28 -13.473 2.104 1.137 195 1HB ASP 28 2HB ASP 28 -14.688 3.333 -1.089 196 2HB ASP 28 1HB ASP 28 -14.419 1.654 -1.539 197 H GLU 29 H GLU 29 -11.647 2.398 -1.938 198 HA GLU 29 HA GLU 29 -10.677 -0.337 -1.386 199 1HB GLU 29 2HB GLU 29 -12.274 -0.184 -3.312 200 2HB GLU 29 1HB GLU 29 -11.102 0.828 -4.135 201 1HG GLU 29 2HG GLU 29 -9.513 -0.962 -4.203 202 2HG GLU 29 1HG GLU 29 -10.558 -1.978 -3.211 203 H VAL 30 H VAL 30 -8.575 -0.393 -0.954 204 HA VAL 30 HA VAL 30 -6.785 1.531 -2.309 205 HB VAL 30 HB VAL 30 -6.294 0.375 0.452 206 1HG1 VAL 30 1HG1 VAL 30 -4.690 2.470 0.348 207 2HG1 VAL 30 2HG1 VAL 30 -4.776 2.145 -1.384 208 3HG1 VAL 30 3HG1 VAL 30 -4.203 0.893 -0.279 209 1HG2 VAL 30 1HG2 VAL 30 -6.696 2.776 1.176 210 2HG2 VAL 30 2HG2 VAL 30 -8.123 1.840 0.732 211 3HG2 VAL 30 3HG2 VAL 30 -7.453 3.018 -0.397 212 H ARG 31 H ARG 31 -5.474 0.508 -3.712 213 HA ARG 31 HA ARG 31 -4.734 -2.280 -3.103 214 1HB ARG 31 2HB ARG 31 -4.567 -1.272 -5.899 215 2HB ARG 31 1HB ARG 31 -4.922 -2.884 -5.303 216 1HG ARG 31 2HG ARG 31 -7.075 -1.424 -4.417 217 2HG ARG 31 1HG ARG 31 -6.726 -0.712 -5.993 218 1HD ARG 31 2HD ARG 31 -6.746 -3.675 -5.769 219 2HD ARG 31 1HD ARG 31 -8.294 -2.833 -5.722 220 HE ARG 31 HE ARG 31 -6.538 -3.133 -7.991 221 1HH1 ARG 31 1HH1 ARG 31 -9.169 -1.311 -6.599 222 2HH1 ARG 31 2HH1 ARG 31 -9.751 -0.744 -8.128 223 1HH2 ARG 31 1HH2 ARG 31 -7.301 -2.386 -10.003 224 2HH2 ARG 31 2HH2 ARG 31 -8.691 -1.354 -10.060 225 H TRP 32 H TRP 32 -2.690 -2.912 -3.133 226 HA TRP 32 HA TRP 32 -0.621 -0.902 -3.742 227 1HB TRP 32 2HB TRP 32 -0.709 -3.128 -1.706 228 2HB TRP 32 1HB TRP 32 0.812 -2.426 -2.230 229 HD1 TRP 32 HD TRP 32 -2.312 -1.593 -0.157 230 HE1 TRP 32 1HE TRP 32 -1.805 0.481 1.275 231 HE3 TRP 32 3HE TRP 32 2.226 -0.324 -2.140 232 HZ2 TRP 32 2HZ TRP 32 0.247 2.411 1.530 233 HZ3 TRP 32 3HZ TRP 32 3.392 1.652 -1.250 234 HH2 TRP 32 HH TRP 32 2.423 2.987 0.548 235 H GLU 33 H GLU 33 -0.543 -1.476 -5.945 236 HA GLU 33 HA GLU 33 0.191 -4.246 -6.546 237 1HB GLU 33 2HB GLU 33 -0.595 -2.015 -8.423 238 2HB GLU 33 1HB GLU 33 -0.309 -3.689 -8.874 239 1HG GLU 33 2HG GLU 33 -2.201 -4.407 -7.555 240 2HG GLU 33 1HG GLU 33 -2.461 -2.757 -6.989 241 H ARG 34 H ARG 34 1.938 -4.789 -7.817 242 HA ARG 34 HA ARG 34 3.945 -2.749 -8.392 243 1HB ARG 34 2HB ARG 34 4.459 -3.688 -6.134 244 2HB ARG 34 1HB ARG 34 4.584 -5.282 -6.864 245 1HG ARG 34 2HG ARG 34 6.338 -4.091 -8.408 246 2HG ARG 34 1HG ARG 34 6.424 -2.955 -7.061 247 1HD ARG 34 2HD ARG 34 7.963 -4.394 -6.271 248 2HD ARG 34 1HD ARG 34 6.553 -5.306 -5.737 249 HE ARG 34 HE ARG 34 7.034 -6.909 -7.301 250 1HH1 ARG 34 1HH1 ARG 34 8.875 -4.033 -8.020 251 2HH1 ARG 34 2HH1 ARG 34 9.828 -4.798 -9.247 252 1HH2 ARG 34 1HH2 ARG 34 8.286 -7.918 -8.914 253 2HH2 ARG 34 2HH2 ARG 34 9.493 -7.003 -9.755 254 H GLY 35 H GLY 35 4.442 -3.006 -10.482 255 1HA GLY 35 2HA GLY 35 4.813 -4.011 -12.522 256 2HA GLY 35 1HA GLY 35 5.382 -5.394 -11.605 257 H SER 36 H SER 36 4.326 -7.195 -11.925 258 HA SER 36 HA SER 36 1.506 -7.058 -12.770 259 1HB SER 36 2HB SER 36 3.258 -7.890 -14.471 260 2HB SER 36 1HB SER 36 3.347 -9.338 -13.470 261 HG SER 36 HG SER 36 1.817 -9.535 -15.171 262 H THR 37 H THR 37 2.104 -7.074 -10.079 263 HA THR 37 HA THR 37 0.914 -9.600 -9.274 264 HB THR 37 HB THR 37 3.571 -8.651 -8.188 265 HG1 THR 37 1HG THR 37 2.798 -10.940 -9.662 266 1HG2 THR 37 1HG2 THR 37 1.870 -10.962 -7.289 267 2HG2 THR 37 2HG2 THR 37 2.333 -9.546 -6.342 268 3HG2 THR 37 3HG2 THR 37 3.557 -10.714 -6.841 269 H LEU 38 H LEU 38 0.173 -9.575 -7.021 270 HA LEU 38 HA LEU 38 -0.520 -6.836 -6.158 271 1HB LEU 38 2HB LEU 38 -1.931 -9.430 -6.053 272 2HB LEU 38 1HB LEU 38 -2.036 -8.473 -4.598 273 HG LEU 38 HG LEU 38 -2.843 -7.442 -7.320 274 1HD1 LEU 38 1HD1 LEU 38 -5.133 -7.701 -5.928 275 2HD1 LEU 38 2HD1 LEU 38 -4.234 -9.097 -5.321 276 3HD1 LEU 38 3HD1 LEU 38 -4.524 -8.915 -7.054 277 1HD2 LEU 38 1HD2 LEU 38 -2.998 -6.384 -4.515 278 2HD2 LEU 38 2HD2 LEU 38 -4.107 -5.835 -5.772 279 3HD2 LEU 38 3HD2 LEU 38 -2.371 -5.597 -5.963 280 H VAL 39 H VAL 39 -0.214 -6.214 -4.014 281 HA VAL 39 HA VAL 39 1.533 -8.004 -2.469 282 HB VAL 39 HB VAL 39 1.622 -4.996 -2.734 283 1HG1 VAL 39 1HG1 VAL 39 3.452 -5.053 -1.078 284 2HG1 VAL 39 2HG1 VAL 39 3.094 -6.753 -0.774 285 3HG1 VAL 39 3HG1 VAL 39 1.892 -5.517 -0.397 286 1HG2 VAL 39 1HG2 VAL 39 2.779 -6.663 -4.377 287 2HG2 VAL 39 2HG2 VAL 39 3.933 -6.877 -3.060 288 3HG2 VAL 39 3HG2 VAL 39 3.688 -5.279 -3.765 289 H ALA 40 H ALA 40 -0.912 -5.455 -2.310 290 HA ALA 40 HA ALA 40 -2.342 -6.710 -0.221 291 1HB ALA 40 1HB ALA 40 -1.845 -5.398 1.669 292 2HB ALA 40 2HB ALA 40 -0.899 -4.250 0.722 293 3HB ALA 40 3HB ALA 40 -0.284 -5.881 1.002 294 H GLU 41 H GLU 41 -4.347 -6.159 -0.804 295 HA GLU 41 HA GLU 41 -4.893 -3.320 -1.306 296 1HB GLU 41 2HB GLU 41 -6.236 -3.758 -3.164 297 2HB GLU 41 1HB GLU 41 -4.862 -4.828 -3.390 298 1HG GLU 41 2HG GLU 41 -6.801 -6.242 -1.903 299 2HG GLU 41 1HG GLU 41 -7.623 -5.467 -3.250 300 H PHE 42 H PHE 42 -7.056 -2.643 -0.842 301 HA PHE 42 HA PHE 42 -8.468 -4.353 1.076 302 1HB PHE 42 2HB PHE 42 -7.295 -2.575 2.241 303 2HB PHE 42 1HB PHE 42 -8.002 -1.369 1.180 304 HD1 PHE 42 1HD PHE 42 -8.573 -3.545 4.049 305 HD2 PHE 42 2HD PHE 42 -10.335 -0.746 1.370 306 HE1 PHE 42 1HE PHE 42 -10.481 -3.283 5.581 307 HE2 PHE 42 2HE PHE 42 -12.243 -0.478 2.894 308 HZ PHE 42 HZ PHE 42 -12.320 -1.747 5.006 309 H LYS 43 H LYS 43 -10.697 -4.319 1.020 310 HA LYS 43 HA LYS 43 -12.045 -2.539 -0.854 311 1HB LYS 43 2HB LYS 43 -11.770 -5.486 -1.187 312 2HB LYS 43 1HB LYS 43 -13.327 -4.764 -1.574 313 1HG LYS 43 2HG LYS 43 -12.141 -3.195 -3.102 314 2HG LYS 43 1HG LYS 43 -10.660 -4.106 -2.801 315 1HD LYS 43 2HD LYS 43 -12.995 -5.718 -3.584 316 2HD LYS 43 1HD LYS 43 -12.382 -4.623 -4.825 317 1HE LYS 43 2HE LYS 43 -10.516 -6.395 -3.295 318 2HE LYS 43 1HE LYS 43 -11.423 -7.024 -4.670 319 1HZ LYS 43 1HZ LYS 43 -10.015 -4.512 -5.088 320 2HZ LYS 43 2HZ LYS 43 -10.213 -5.829 -6.130 321 3HZ LYS 43 3HZ LYS 43 -9.047 -5.888 -4.907 322 H ARG 44 H ARG 44 -13.541 -1.627 0.393 323 HA ARG 44 HA ARG 44 -14.502 -2.487 2.795 324 1HB ARG 44 2HB ARG 44 -14.901 -0.239 2.057 325 2HB ARG 44 1HB ARG 44 -15.890 -0.814 0.725 326 1HG ARG 44 2HG ARG 44 -17.356 0.034 2.381 327 2HG ARG 44 1HG ARG 44 -17.490 -1.725 2.424 328 1HD ARG 44 2HD ARG 44 -17.375 -0.670 4.673 329 2HD ARG 44 1HD ARG 44 -16.097 -1.846 4.370 330 HE ARG 44 HE ARG 44 -14.553 -0.161 4.526 331 1HH1 ARG 44 1HH1 ARG 44 -17.730 1.240 4.186 332 2HH1 ARG 44 2HH1 ARG 44 -17.189 2.854 4.505 333 1HH2 ARG 44 1HH2 ARG 44 -13.839 1.961 4.946 334 2HH2 ARG 44 2HH2 ARG 44 -14.981 3.264 4.935 335 H LYS 45 H LYS 45 -16.184 -2.796 -0.203 336 HA LYS 45 HA LYS 45 -18.050 -4.717 0.878 337 1HB LYS 45 2HB LYS 45 -18.326 -2.866 -1.050 338 2HB LYS 45 1HB LYS 45 -17.921 -4.253 -2.050 339 1HG LYS 45 2HG LYS 45 -19.783 -5.501 -1.095 340 2HG LYS 45 1HG LYS 45 -20.183 -4.123 -0.067 341 1HD LYS 45 2HD LYS 45 -21.092 -2.938 -1.778 342 2HD LYS 45 1HD LYS 45 -19.972 -3.597 -2.971 343 1HE LYS 45 2HE LYS 45 -22.001 -5.404 -1.751 344 2HE LYS 45 1HE LYS 45 -22.523 -4.254 -2.980 345 1HZ LYS 45 1HZ LYS 45 -20.646 -6.511 -3.237 346 2HZ LYS 45 2HZ LYS 45 -20.554 -5.207 -4.310 347 3HZ LYS 45 3HZ LYS 45 -21.978 -6.115 -4.204 348 H MET 46 H MET 46 -15.543 -5.742 1.155 349 HA MET 46 HA MET 46 -15.719 -8.266 0.019 350 1HB MET 46 2HB MET 46 -14.569 -6.308 -1.742 351 2HB MET 46 1HB MET 46 -13.354 -7.501 -1.315 352 1HG MET 46 2HG MET 46 -14.814 -9.287 -2.061 353 2HG MET 46 1HG MET 46 -16.076 -8.115 -2.430 354 1HE MET 46 1HE MET 46 -15.891 -9.791 -4.538 355 2HE MET 46 2HE MET 46 -15.166 -9.127 -6.003 356 3HE MET 46 3HE MET 46 -16.425 -8.228 -5.156 357 H LYS 47 H LYS 47 -13.189 -9.183 -0.077 358 HA LYS 47 HA LYS 47 -12.140 -8.502 2.588 359 1HB LYS 47 2HB LYS 47 -12.214 -11.062 1.024 360 2HB LYS 47 1HB LYS 47 -11.012 -10.831 2.286 361 1HG LYS 47 2HG LYS 47 -13.800 -10.221 3.025 362 2HG LYS 47 1HG LYS 47 -13.424 -11.917 2.710 363 1HD LYS 47 2HD LYS 47 -12.025 -12.080 4.507 364 2HD LYS 47 1HD LYS 47 -11.549 -10.383 4.428 365 1HE LYS 47 2HE LYS 47 -12.867 -10.195 6.245 366 2HE LYS 47 1HE LYS 47 -14.161 -10.125 5.048 367 1HZ LYS 47 1HZ LYS 47 -13.348 -12.780 5.917 368 2HZ LYS 47 2HZ LYS 47 -14.892 -12.173 5.588 369 3HZ LYS 47 3HZ LYS 47 -14.148 -11.834 7.069 370 HA PRO 48 HA PRO 48 -8.416 -7.066 0.691 371 1HB PRO 48 2HB PRO 48 -6.682 -7.330 2.746 372 2HB PRO 48 1HB PRO 48 -7.949 -6.097 2.725 373 1HG PRO 48 2HG PRO 48 -7.901 -8.741 4.126 374 2HG PRO 48 1HG PRO 48 -8.470 -7.168 4.718 375 1HD PRO 48 2HD PRO 48 -10.143 -9.109 3.793 376 2HD PRO 48 1HD PRO 48 -10.508 -7.377 3.680 377 H PHE 49 H PHE 49 -6.402 -7.742 -0.124 378 HA PHE 49 HA PHE 49 -5.944 -10.650 0.007 379 1HB PHE 49 2HB PHE 49 -6.612 -10.162 -2.214 380 2HB PHE 49 1HB PHE 49 -5.625 -8.710 -2.278 381 HD1 PHE 49 1HD PHE 49 -5.612 -12.363 -2.492 382 HD2 PHE 49 2HD PHE 49 -3.253 -8.827 -2.744 383 HE1 PHE 49 1HE PHE 49 -3.788 -13.652 -3.522 384 HE2 PHE 49 2HE PHE 49 -1.428 -10.106 -3.768 385 HZ PHE 49 HZ PHE 49 -1.693 -12.526 -4.163 386 H LEU 50 H LEU 50 -4.331 -10.876 1.473 387 HA LEU 50 HA LEU 50 -2.040 -9.085 1.379 388 1HB LEU 50 2HB LEU 50 -3.134 -11.063 3.307 389 2HB LEU 50 1HB LEU 50 -1.398 -10.843 3.302 390 HG LEU 50 HG LEU 50 -3.458 -8.689 3.779 391 1HD1 LEU 50 1HD1 LEU 50 -3.349 -9.986 5.727 392 2HD1 LEU 50 2HD1 LEU 50 -2.269 -8.623 6.026 393 3HD1 LEU 50 3HD1 LEU 50 -1.603 -10.199 5.591 394 1HD2 LEU 50 1HD2 LEU 50 -0.608 -8.586 3.116 395 2HD2 LEU 50 2HD2 LEU 50 -1.064 -7.651 4.544 396 3HD2 LEU 50 3HD2 LEU 50 -1.852 -7.343 2.994 397 H LYS 51 H LYS 51 -0.411 -9.561 0.029 398 HA LYS 51 HA LYS 51 -0.135 -11.643 -1.639 399 1HB LYS 51 2HB LYS 51 1.317 -9.749 -1.780 400 2HB LYS 51 1HB LYS 51 2.092 -10.155 -0.257 401 1HG LYS 51 2HG LYS 51 3.581 -10.783 -1.984 402 2HG LYS 51 1HG LYS 51 2.889 -12.274 -1.343 403 1HD LYS 51 2HD LYS 51 1.124 -11.857 -3.271 404 2HD LYS 51 1HD LYS 51 2.468 -10.955 -3.976 405 1HE LYS 51 2HE LYS 51 2.522 -13.839 -3.092 406 2HE LYS 51 1HE LYS 51 2.459 -13.264 -4.757 407 1HZ LYS 51 1HZ LYS 51 4.695 -13.210 -2.856 408 2HZ LYS 51 2HZ LYS 51 4.613 -12.015 -4.050 409 3HZ LYS 51 3HZ LYS 51 4.685 -13.647 -4.490 410 H SER 52 H SER 52 2.408 -11.792 0.810 411 HA SER 52 HA SER 52 1.719 -14.635 1.177 412 1HB SER 52 2HB SER 52 4.312 -13.268 0.683 413 2HB SER 52 1HB SER 52 4.325 -14.654 1.774 414 HG SER 52 HG SER 52 3.597 -15.943 0.155 415 H GLY 53 H GLY 53 0.990 -12.189 2.815 416 1HA GLY 53 2HA GLY 53 0.574 -11.890 5.065 417 2HA GLY 53 1HA GLY 53 1.370 -13.428 5.367 418 H ALA 54 H ALA 54 3.558 -11.639 3.603 419 HA ALA 54 HA ALA 54 5.084 -11.038 5.989 420 1HB ALA 54 1HB ALA 54 5.943 -12.032 3.744 421 2HB ALA 54 2HB ALA 54 6.937 -10.865 4.617 422 3HB ALA 54 3HB ALA 54 5.987 -10.347 3.225 423 H PHE 55 H PHE 55 2.661 -9.462 4.593 424 HA PHE 55 HA PHE 55 3.815 -6.812 5.138 425 1HB PHE 55 2HB PHE 55 1.688 -7.436 3.090 426 2HB PHE 55 1HB PHE 55 2.440 -5.873 3.384 427 HD1 PHE 55 1HD PHE 55 4.718 -5.448 2.688 428 HD2 PHE 55 2HD PHE 55 2.801 -9.136 1.816 429 HE1 PHE 55 1HE PHE 55 6.441 -5.931 1.005 430 HE2 PHE 55 2HE PHE 55 4.523 -9.640 0.131 431 HZ PHE 55 HZ PHE 55 6.348 -8.036 -0.277 432 H GLU 56 H GLU 56 2.282 -5.213 5.867 433 HA GLU 56 HA GLU 56 -0.222 -6.267 6.945 434 1HB GLU 56 2HB GLU 56 1.804 -6.191 8.631 435 2HB GLU 56 1HB GLU 56 1.433 -4.473 8.679 436 1HG GLU 56 2HG GLU 56 -1.025 -5.471 9.053 437 2HG GLU 56 1HG GLU 56 -0.064 -6.769 9.757 438 H ILE 57 H ILE 57 -1.811 -4.997 6.282 439 HA ILE 57 HA ILE 57 -1.254 -2.392 5.200 440 HB ILE 57 HB ILE 57 -2.948 -3.879 4.186 441 1HG1 ILE 57 2HG1 ILE 57 -4.448 -1.464 5.105 442 2HG1 ILE 57 1HG1 ILE 57 -2.940 -1.237 4.224 443 1HG2 ILE 57 1HG2 ILE 57 -4.640 -4.788 5.310 444 2HG2 ILE 57 2HG2 ILE 57 -5.110 -3.236 6.003 445 3HG2 ILE 57 3HG2 ILE 57 -3.862 -4.207 6.781 446 1HD1 ILE 57 1HD1 ILE 57 -3.818 -1.944 2.269 447 2HD1 ILE 57 2HD1 ILE 57 -5.312 -1.396 3.029 448 3HD1 ILE 57 3HD1 ILE 57 -4.892 -3.109 3.043 449 H LEU 58 H LEU 58 -0.692 -0.923 6.694 450 HA LEU 58 HA LEU 58 -1.616 -0.694 9.298 451 1HB LEU 58 2HB LEU 58 -0.012 0.838 7.480 452 2HB LEU 58 1HB LEU 58 -1.069 1.918 8.365 453 HG LEU 58 HG LEU 58 -0.142 1.299 10.450 454 1HD1 LEU 58 1HD1 LEU 58 0.920 -1.059 8.954 455 2HD1 LEU 58 2HD1 LEU 58 0.046 -1.001 10.485 456 3HD1 LEU 58 3HD1 LEU 58 1.736 -0.501 10.415 457 1HD2 LEU 58 1HD2 LEU 58 2.404 1.173 8.992 458 2HD2 LEU 58 2HD2 LEU 58 1.844 2.320 10.209 459 3HD2 LEU 58 3HD2 LEU 58 1.339 2.499 8.528 460 H ALA 59 H ALA 59 -3.082 0.770 10.293 461 HA ALA 59 HA ALA 59 -5.627 0.852 9.134 462 1HB ALA 59 1HB ALA 59 -4.387 2.069 11.550 463 2HB ALA 59 2HB ALA 59 -5.724 0.924 11.419 464 3HB ALA 59 3HB ALA 59 -5.980 2.628 11.039 465 H ASN 60 H ASN 60 -2.953 2.975 8.765 466 HA ASN 60 HA ASN 60 -4.643 5.147 7.780 467 1HB ASN 60 2HB ASN 60 -2.325 6.283 7.497 468 2HB ASN 60 1HB ASN 60 -2.973 6.068 9.120 469 1HD2 ASN 60 1HD2 ASN 60 -2.150 4.325 10.399 470 2HD2 ASN 60 2HD2 ASN 60 -0.548 3.735 10.128 471 H GLY 61 H GLY 61 -4.469 2.647 6.326 472 1HA GLY 61 2HA GLY 61 -4.210 1.884 4.175 473 2HA GLY 61 1HA GLY 61 -4.315 3.577 3.720 474 H ASP 62 H ASP 62 -1.767 2.129 5.691 475 HA ASP 62 HA ASP 62 0.128 2.783 3.533 476 1HB ASP 62 2HB ASP 62 0.229 3.169 6.468 477 2HB ASP 62 1HB ASP 62 1.728 2.651 5.706 478 H LEU 63 H LEU 63 2.029 1.433 3.335 479 HA LEU 63 HA LEU 63 1.348 -1.405 3.780 480 1HB LEU 63 2HB LEU 63 2.074 -0.421 1.532 481 2HB LEU 63 1HB LEU 63 3.682 -0.306 2.222 482 HG LEU 63 HG LEU 63 3.444 -2.832 2.686 483 1HD1 LEU 63 1HD1 LEU 63 0.946 -2.684 2.053 484 2HD1 LEU 63 2HD1 LEU 63 1.889 -4.063 1.485 485 3HD1 LEU 63 3HD1 LEU 63 1.531 -2.725 0.389 486 1HD2 LEU 63 1HD2 LEU 63 3.927 -3.218 0.131 487 2HD2 LEU 63 2HD2 LEU 63 5.058 -2.322 1.145 488 3HD2 LEU 63 3HD2 LEU 63 3.938 -1.456 0.095 489 H LYS 64 H LYS 64 2.238 -2.518 5.413 490 HA LYS 64 HA LYS 64 4.730 -1.483 6.598 491 1HB LYS 64 2HB LYS 64 2.387 -1.872 7.878 492 2HB LYS 64 1HB LYS 64 3.104 -3.463 8.090 493 1HG LYS 64 2HG LYS 64 5.191 -2.058 8.855 494 2HG LYS 64 1HG LYS 64 3.961 -0.834 9.176 495 1HD LYS 64 2HD LYS 64 3.806 -1.872 11.171 496 2HD LYS 64 1HD LYS 64 2.800 -3.016 10.280 497 1HE LYS 64 2HE LYS 64 4.355 -4.329 11.464 498 2HE LYS 64 1HE LYS 64 4.931 -4.298 9.799 499 1HZ LYS 64 1HZ LYS 64 6.852 -3.822 10.881 500 2HZ LYS 64 2HZ LYS 64 6.084 -3.069 12.187 501 3HZ LYS 64 3HZ LYS 64 6.264 -2.243 10.723 502 H ILE 65 H ILE 65 6.386 -2.561 5.684 503 HA ILE 65 HA ILE 65 6.147 -5.340 4.919 504 HB ILE 65 HB ILE 65 8.747 -3.850 5.013 505 1HG1 ILE 65 2HG1 ILE 65 6.505 -3.496 3.013 506 2HG1 ILE 65 1HG1 ILE 65 7.314 -2.255 3.957 507 1HG2 ILE 65 1HG2 ILE 65 9.381 -5.801 4.144 508 2HG2 ILE 65 2HG2 ILE 65 8.567 -5.287 2.668 509 3HG2 ILE 65 3HG2 ILE 65 7.718 -6.299 3.835 510 1HD1 ILE 65 1HD1 ILE 65 9.272 -3.585 2.393 511 2HD1 ILE 65 2HD1 ILE 65 8.729 -1.910 2.305 512 3HD1 ILE 65 3HD1 ILE 65 7.918 -3.151 1.349 513 H LYS 66 H LYS 66 6.877 -7.098 6.014 514 HA LYS 66 HA LYS 66 7.608 -6.764 8.768 515 1HB LYS 66 2HB LYS 66 6.125 -8.579 8.128 516 2HB LYS 66 1HB LYS 66 7.365 -9.248 7.076 517 1HG LYS 66 2HG LYS 66 8.671 -9.960 8.875 518 2HG LYS 66 1HG LYS 66 7.828 -8.915 10.018 519 1HD LYS 66 2HD LYS 66 5.757 -10.298 9.534 520 2HD LYS 66 1HD LYS 66 6.827 -11.435 8.712 521 1HE LYS 66 2HE LYS 66 7.347 -10.540 11.529 522 2HE LYS 66 1HE LYS 66 6.254 -11.878 11.175 523 1HZ LYS 66 1HZ LYS 66 9.102 -11.733 10.342 524 2HZ LYS 66 2HZ LYS 66 8.050 -13.029 10.069 525 3HZ LYS 66 3HZ LYS 66 8.512 -12.633 11.648 526 H ASN 67 H ASN 67 9.195 -8.118 5.940 527 HA ASN 67 HA ASN 67 11.790 -7.413 7.036 528 1HB ASN 67 2HB ASN 67 10.782 -10.104 7.056 529 2HB ASN 67 1HB ASN 67 12.143 -10.006 5.944 530 1HD2 ASN 67 1HD2 ASN 67 13.447 -11.245 7.276 531 2HD2 ASN 67 2HD2 ASN 67 14.113 -10.631 8.747 532 H LEU 68 H LEU 68 12.647 -6.226 5.470 533 HA LEU 68 HA LEU 68 11.818 -6.086 2.853 534 1HB LEU 68 2HB LEU 68 14.382 -5.370 4.216 535 2HB LEU 68 1HB LEU 68 14.208 -5.156 2.483 536 HG LEU 68 HG LEU 68 12.086 -4.026 4.217 537 1HD1 LEU 68 1HD1 LEU 68 13.421 -1.900 4.535 538 2HD1 LEU 68 2HD1 LEU 68 14.839 -2.829 3.948 539 3HD1 LEU 68 3HD1 LEU 68 14.044 -3.343 5.435 540 1HD2 LEU 68 1HD2 LEU 68 13.072 -3.767 1.519 541 2HD2 LEU 68 2HD2 LEU 68 12.912 -2.198 2.306 542 3HD2 LEU 68 3HD2 LEU 68 11.525 -3.283 2.206 543 H THR 69 H THR 69 12.591 -6.823 0.908 544 HA THR 69 HA THR 69 14.614 -8.895 0.827 545 HB THR 69 HB THR 69 12.954 -10.392 -0.473 546 HG1 THR 69 1HG THR 69 11.120 -8.910 1.096 547 1HG2 THR 69 1HG2 THR 69 12.106 -11.462 1.562 548 2HG2 THR 69 2HG2 THR 69 12.671 -10.082 2.503 549 3HG2 THR 69 3HG2 THR 69 13.830 -11.103 1.651 550 H ARG 70 H ARG 70 15.069 -9.592 -1.424 551 HA ARG 70 HA ARG 70 15.570 -7.456 -3.109 552 1HB ARG 70 2HB ARG 70 15.066 -10.178 -4.272 553 2HB ARG 70 1HB ARG 70 16.288 -8.996 -4.712 554 1HG ARG 70 2HG ARG 70 17.710 -10.255 -3.557 555 2HG ARG 70 1HG ARG 70 16.936 -9.613 -2.106 556 1HD ARG 70 2HD ARG 70 15.229 -11.613 -2.755 557 2HD ARG 70 1HD ARG 70 16.755 -12.282 -3.333 558 HE ARG 70 HE ARG 70 15.933 -12.043 -0.638 559 1HH1 ARG 70 1HH1 ARG 70 18.754 -11.749 -2.671 560 2HH1 ARG 70 2HH1 ARG 70 19.864 -12.142 -1.402 561 1HH2 ARG 70 1HH2 ARG 70 17.392 -12.560 1.033 562 2HH2 ARG 70 2HH2 ARG 70 19.092 -12.603 0.701 563 H ASP 71 H ASP 71 12.957 -9.853 -3.505 564 HA ASP 71 HA ASP 71 11.734 -8.764 -5.726 565 1HB ASP 71 2HB ASP 71 11.119 -10.943 -4.781 566 2HB ASP 71 1HB ASP 71 10.399 -10.144 -3.388 567 H ASP 72 H ASP 72 11.766 -7.538 -2.487 568 HA ASP 72 HA ASP 72 9.436 -5.874 -2.858 569 1HB ASP 72 2HB ASP 72 11.493 -5.721 -0.651 570 2HB ASP 72 1HB ASP 72 9.868 -5.047 -0.636 571 H SER 73 H SER 73 12.719 -5.653 -3.704 572 HA SER 73 HA SER 73 12.877 -2.771 -3.541 573 1HB SER 73 2HB SER 73 14.965 -3.796 -3.212 574 2HB SER 73 1HB SER 73 14.722 -4.929 -4.539 575 HG SER 73 HG SER 73 15.589 -2.290 -4.582 576 H GLY 74 H GLY 74 12.027 -1.446 -5.018 577 1HA GLY 74 2HA GLY 74 12.416 -1.407 -7.696 578 2HA GLY 74 1HA GLY 74 11.061 -2.509 -7.513 579 H THR 75 H THR 75 9.385 -1.270 -8.362 580 HA THR 75 HA THR 75 8.907 1.350 -7.053 581 HB THR 75 HB THR 75 8.668 0.462 -9.906 582 HG1 THR 75 1HG THR 75 9.597 2.772 -8.568 583 1HG2 THR 75 1HG2 THR 75 7.094 2.762 -8.773 584 2HG2 THR 75 2HG2 THR 75 6.418 1.261 -9.408 585 3HG2 THR 75 3HG2 THR 75 7.285 2.360 -10.479 586 H TYR 76 H TYR 76 7.012 1.594 -6.036 587 HA TYR 76 HA TYR 76 5.011 -0.546 -6.318 588 1HB TYR 76 2HB TYR 76 5.642 1.332 -4.040 589 2HB TYR 76 1HB TYR 76 4.166 0.374 -4.092 590 HD1 TYR 76 1HD TYR 76 4.172 -1.700 -3.062 591 HD2 TYR 76 2HD TYR 76 7.862 -0.059 -4.393 592 HE1 TYR 76 1HE TYR 76 5.375 -3.595 -2.051 593 HE2 TYR 76 2HE TYR 76 9.072 -1.943 -3.389 594 HH TYR 76 HH TYR 76 8.914 -3.842 -2.236 595 H ASN 77 H ASN 77 2.784 0.004 -6.435 596 HA ASN 77 HA ASN 77 2.209 2.809 -7.096 597 1HB ASN 77 2HB ASN 77 2.070 0.493 -8.870 598 2HB ASN 77 1HB ASN 77 0.552 1.380 -8.794 599 1HD2 ASN 77 1HD2 ASN 77 2.410 1.106 -10.999 600 2HD2 ASN 77 2HD2 ASN 77 2.897 2.708 -11.426 601 H VAL 78 H VAL 78 0.575 3.556 -5.914 602 HA VAL 78 HA VAL 78 -1.341 1.617 -4.811 603 HB VAL 78 HB VAL 78 -1.418 4.361 -3.734 604 1HG1 VAL 78 1HG1 VAL 78 -2.352 1.838 -3.044 605 2HG1 VAL 78 2HG1 VAL 78 -2.459 3.308 -2.083 606 3HG1 VAL 78 3HG1 VAL 78 -1.108 2.198 -1.848 607 1HG2 VAL 78 1HG2 VAL 78 0.521 3.628 -2.125 608 2HG2 VAL 78 2HG2 VAL 78 0.878 4.439 -3.651 609 3HG2 VAL 78 3HG2 VAL 78 1.048 2.688 -3.523 610 H THR 79 H THR 79 -3.448 1.738 -5.277 611 HA THR 79 HA THR 79 -4.398 4.061 -6.818 612 HB THR 79 HB THR 79 -5.952 1.639 -7.248 613 HG1 THR 79 1HG THR 79 -3.204 1.603 -7.939 614 1HG2 THR 79 1HG2 THR 79 -6.152 3.531 -8.717 615 2HG2 THR 79 2HG2 THR 79 -5.527 2.145 -9.612 616 3HG2 THR 79 3HG2 THR 79 -4.436 3.440 -9.117 617 H VAL 80 H VAL 80 -5.493 5.207 -5.352 618 HA VAL 80 HA VAL 80 -7.152 3.851 -3.372 619 HB VAL 80 HB VAL 80 -6.418 6.766 -3.686 620 1HG1 VAL 80 1HG1 VAL 80 -7.439 7.146 -1.532 621 2HG1 VAL 80 2HG1 VAL 80 -7.906 5.446 -1.421 622 3HG1 VAL 80 3HG1 VAL 80 -8.635 6.482 -2.647 623 1HG2 VAL 80 1HG2 VAL 80 -5.585 5.318 -1.282 624 2HG2 VAL 80 2HG2 VAL 80 -4.676 6.416 -2.320 625 3HG2 VAL 80 3HG2 VAL 80 -4.854 4.721 -2.771 626 H TYR 81 H TYR 81 -9.293 3.706 -3.473 627 HA TYR 81 HA TYR 81 -10.715 5.373 -5.436 628 1HB TYR 81 2HB TYR 81 -11.287 2.529 -4.658 629 2HB TYR 81 1HB TYR 81 -12.309 3.499 -5.684 630 HD1 TYR 81 1HD TYR 81 -9.252 1.535 -5.499 631 HD2 TYR 81 2HD TYR 81 -11.564 4.133 -7.949 632 HE1 TYR 81 1HE TYR 81 -7.967 0.815 -7.465 633 HE2 TYR 81 2HE TYR 81 -10.280 3.424 -9.923 634 HH TYR 81 HH TYR 81 -7.413 1.523 -9.665 635 H SER 82 H SER 82 -12.843 5.921 -4.948 636 HA SER 82 HA SER 82 -13.306 6.374 -2.120 637 1HB SER 82 2HB SER 82 -15.450 7.437 -3.599 638 2HB SER 82 1HB SER 82 -14.087 8.309 -2.898 639 HG SER 82 HG SER 82 -14.656 7.931 -5.465 640 H THR 83 H THR 83 -15.763 6.342 -1.527 641 HA THR 83 HA THR 83 -16.564 3.638 -1.457 642 HB THR 83 HB THR 83 -18.719 4.613 -0.511 643 HG1 THR 83 1HG THR 83 -18.729 6.626 -1.427 644 1HG2 THR 83 1HG2 THR 83 -16.131 5.482 0.752 645 2HG2 THR 83 2HG2 THR 83 -16.964 3.948 1.004 646 3HG2 THR 83 3HG2 THR 83 -17.702 5.454 1.552 647 H ASN 84 H ASN 84 -17.322 6.269 -3.605 648 HA ASN 84 HA ASN 84 -19.629 5.019 -4.766 649 1HB ASN 84 2HB ASN 84 -18.762 7.572 -4.718 650 2HB ASN 84 1HB ASN 84 -18.174 7.089 -6.306 651 1HD2 ASN 84 1HD2 ASN 84 -20.925 7.807 -4.373 652 2HD2 ASN 84 2HD2 ASN 84 -22.104 7.723 -5.633 653 H GLY 85 H GLY 85 -16.398 4.300 -4.973 654 1HA GLY 85 2HA GLY 85 -15.402 2.667 -6.294 655 2HA GLY 85 1HA GLY 85 -16.835 2.652 -7.309 656 H THR 86 H THR 86 -15.195 5.631 -6.563 657 HA THR 86 HA THR 86 -14.363 5.806 -9.378 658 HB THR 86 HB THR 86 -14.296 8.285 -7.814 659 HG1 THR 86 1HG THR 86 -16.177 8.098 -6.945 660 1HG2 THR 86 1HG2 THR 86 -14.981 7.417 -10.497 661 2HG2 THR 86 2HG2 THR 86 -14.386 8.974 -9.920 662 3HG2 THR 86 3HG2 THR 86 -16.109 8.606 -9.846 663 H ARG 87 H ARG 87 -12.382 7.160 -9.762 664 HA ARG 87 HA ARG 87 -10.229 6.111 -8.176 665 1HB ARG 87 2HB ARG 87 -9.702 8.249 -10.173 666 2HB ARG 87 1HB ARG 87 -8.829 6.754 -9.868 667 1HG ARG 87 2HG ARG 87 -9.730 6.071 -11.790 668 2HG ARG 87 1HG ARG 87 -11.193 5.815 -10.838 669 1HD ARG 87 2HD ARG 87 -11.421 8.448 -11.418 670 2HD ARG 87 1HD ARG 87 -10.574 7.869 -12.853 671 HE ARG 87 HE ARG 87 -12.589 6.091 -12.574 672 1HH1 ARG 87 1HH1 ARG 87 -12.491 9.578 -12.674 673 2HH1 ARG 87 2HH1 ARG 87 -14.068 9.727 -13.373 674 1HH2 ARG 87 1HH2 ARG 87 -14.663 6.285 -13.494 675 2HH2 ARG 87 2HH2 ARG 87 -15.302 7.859 -13.839 676 H ILE 88 H ILE 88 -9.047 7.101 -6.643 677 HA ILE 88 HA ILE 88 -9.794 9.868 -5.969 678 HB ILE 88 HB ILE 88 -8.752 7.678 -4.171 679 1HG1 ILE 88 2HG1 ILE 88 -11.129 7.475 -4.865 680 2HG1 ILE 88 1HG1 ILE 88 -10.947 7.758 -3.136 681 1HG2 ILE 88 1HG2 ILE 88 -8.835 10.574 -3.843 682 2HG2 ILE 88 2HG2 ILE 88 -7.962 9.352 -2.917 683 3HG2 ILE 88 3HG2 ILE 88 -9.651 9.701 -2.545 684 1HD1 ILE 88 1HD1 ILE 88 -12.473 9.348 -3.403 685 2HD1 ILE 88 2HD1 ILE 88 -12.289 9.347 -5.158 686 3HD1 ILE 88 3HD1 ILE 88 -11.190 10.296 -4.156 687 H LEU 89 H LEU 89 -7.001 7.723 -5.330 688 HA LEU 89 HA LEU 89 -5.244 9.799 -6.412 689 1HB LEU 89 2HB LEU 89 -5.235 10.352 -4.116 690 2HB LEU 89 1HB LEU 89 -5.138 8.671 -3.630 691 HG LEU 89 HG LEU 89 -2.868 9.703 -5.232 692 1HD1 LEU 89 1HD1 LEU 89 -2.776 11.566 -3.940 693 2HD1 LEU 89 2HD1 LEU 89 -1.967 10.447 -2.842 694 3HD1 LEU 89 3HD1 LEU 89 -3.674 10.828 -2.613 695 1HD2 LEU 89 1HD2 LEU 89 -2.112 7.733 -4.527 696 2HD2 LEU 89 2HD2 LEU 89 -3.464 7.546 -3.411 697 3HD2 LEU 89 3HD2 LEU 89 -2.017 8.416 -2.905 698 H ASN 90 H ASN 90 -3.692 9.017 -7.640 699 HA ASN 90 HA ASN 90 -2.972 6.169 -7.400 700 1HB ASN 90 2HB ASN 90 -4.133 7.348 -9.588 701 2HB ASN 90 1HB ASN 90 -2.422 7.485 -9.980 702 1HD2 ASN 90 1HD2 ASN 90 -1.520 5.149 -8.726 703 2HD2 ASN 90 2HD2 ASN 90 -2.132 3.792 -9.603 704 H LYS 91 H LYS 91 -1.067 6.128 -6.357 705 HA LYS 91 HA LYS 91 0.972 8.098 -7.181 706 1HB LYS 91 2HB LYS 91 0.579 6.794 -4.488 707 2HB LYS 91 1HB LYS 91 1.949 7.809 -4.908 708 1HG LYS 91 2HG LYS 91 -0.750 8.938 -5.340 709 2HG LYS 91 1HG LYS 91 -0.207 8.739 -3.674 710 1HD LYS 91 2HD LYS 91 1.688 10.124 -4.034 711 2HD LYS 91 1HD LYS 91 1.443 10.116 -5.782 712 1HE LYS 91 2HE LYS 91 -0.923 11.116 -4.990 713 2HE LYS 91 1HE LYS 91 0.102 11.700 -3.679 714 1HZ LYS 91 1HZ LYS 91 0.224 13.377 -5.245 715 2HZ LYS 91 2HZ LYS 91 0.259 12.312 -6.559 716 3HZ LYS 91 3HZ LYS 91 1.623 12.485 -5.573 717 H ALA 92 H ALA 92 3.185 7.464 -7.051 718 HA ALA 92 HA ALA 92 3.734 4.594 -7.143 719 1HB ALA 92 1HB ALA 92 3.413 6.001 -9.463 720 2HB ALA 92 2HB ALA 92 4.367 4.527 -9.295 721 3HB ALA 92 3HB ALA 92 5.154 6.103 -9.209 722 H LEU 93 H LEU 93 5.495 4.142 -5.945 723 HA LEU 93 HA LEU 93 7.461 6.299 -5.521 724 1HB LEU 93 2HB LEU 93 6.892 4.239 -3.425 725 2HB LEU 93 1HB LEU 93 7.635 5.816 -3.247 726 HG LEU 93 HG LEU 93 5.322 6.764 -3.872 727 1HD1 LEU 93 1HD1 LEU 93 4.758 3.873 -3.603 728 2HD1 LEU 93 2HD1 LEU 93 3.968 5.099 -4.594 729 3HD1 LEU 93 3HD1 LEU 93 3.603 4.989 -2.872 730 1HD2 LEU 93 1HD2 LEU 93 6.335 6.898 -1.643 731 2HD2 LEU 93 2HD2 LEU 93 5.685 5.305 -1.258 732 3HD2 LEU 93 3HD2 LEU 93 4.590 6.655 -1.557 733 H ASP 94 H ASP 94 9.609 5.559 -4.854 734 HA ASP 94 HA ASP 94 10.290 2.999 -6.139 735 1HB ASP 94 2HB ASP 94 12.023 5.447 -5.715 736 2HB ASP 94 1HB ASP 94 12.534 3.955 -6.501 737 H LEU 95 H LEU 95 10.782 1.423 -4.735 738 HA LEU 95 HA LEU 95 11.795 2.177 -2.089 739 1HB LEU 95 2HB LEU 95 9.721 0.536 -2.767 740 2HB LEU 95 1HB LEU 95 11.019 -0.622 -2.553 741 HG LEU 95 HG LEU 95 10.020 1.349 -0.505 742 1HD1 LEU 95 1HD1 LEU 95 10.066 -1.541 0.025 743 2HD1 LEU 95 2HD1 LEU 95 8.896 -0.997 -1.177 744 3HD1 LEU 95 3HD1 LEU 95 8.866 -0.321 0.451 745 1HD2 LEU 95 1HD2 LEU 95 11.685 0.672 0.956 746 2HD2 LEU 95 2HD2 LEU 95 12.544 0.829 -0.575 747 3HD2 LEU 95 3HD2 LEU 95 12.070 -0.767 0.011 748 H ARG 96 H ARG 96 13.985 2.227 -2.167 749 HA ARG 96 HA ARG 96 15.397 0.068 -3.547 750 1HB ARG 96 2HB ARG 96 17.095 2.134 -2.368 751 2HB ARG 96 1HB ARG 96 17.016 1.528 -4.008 752 1HG ARG 96 2HG ARG 96 15.145 3.580 -2.868 753 2HG ARG 96 1HG ARG 96 16.548 3.926 -3.875 754 1HD ARG 96 2HD ARG 96 13.974 2.590 -4.611 755 2HD ARG 96 1HD ARG 96 14.793 3.936 -5.399 756 HE ARG 96 HE ARG 96 15.172 1.160 -5.921 757 1HH1 ARG 96 1HH1 ARG 96 16.807 4.243 -5.879 758 2HH1 ARG 96 2HH1 ARG 96 17.986 3.774 -7.058 759 1HH2 ARG 96 1HH2 ARG 96 16.721 0.543 -7.471 760 2HH2 ARG 96 2HH2 ARG 96 17.937 1.674 -7.962 761 H ILE 97 H ILE 97 15.948 -1.628 -2.394 762 HA ILE 97 HA ILE 97 16.419 -1.313 0.490 763 HB ILE 97 HB ILE 97 16.062 -3.961 -0.868 764 1HG1 ILE 97 2HG1 ILE 97 13.737 -2.437 0.283 765 2HG1 ILE 97 1HG1 ILE 97 14.177 -2.259 -1.410 766 1HG2 ILE 97 1HG2 ILE 97 15.028 -3.274 1.831 767 2HG2 ILE 97 2HG2 ILE 97 16.770 -3.453 1.619 768 3HG2 ILE 97 3HG2 ILE 97 15.692 -4.791 1.224 769 1HD1 ILE 97 1HD1 ILE 97 12.385 -3.909 -1.005 770 2HD1 ILE 97 2HD1 ILE 97 13.541 -4.886 -0.101 771 3HD1 ILE 97 3HD1 ILE 97 13.798 -4.579 -1.818 772 H LEU 98 H LEU 98 18.512 -1.132 0.998 773 HA LEU 98 HA LEU 98 20.596 -2.134 -0.656 774 1HB LEU 98 2HB LEU 98 20.309 -0.529 1.817 775 2HB LEU 98 1HB LEU 98 21.820 -1.368 1.590 776 HG LEU 98 HG LEU 98 20.628 0.569 -0.378 777 1HD1 LEU 98 1HD1 LEU 98 22.636 0.908 1.816 778 2HD1 LEU 98 2HD1 LEU 98 21.240 1.909 1.418 779 3HD1 LEU 98 3HD1 LEU 98 22.670 1.939 0.386 780 1HD2 LEU 98 1HD2 LEU 98 22.010 -0.950 -1.554 781 2HD2 LEU 98 2HD2 LEU 98 23.242 -0.917 -0.294 782 3HD2 LEU 98 3HD2 LEU 98 22.976 0.504 -1.304 783 H GLU 99 H GLU 99 22.392 -3.347 0.438 784 HA GLU 99 HA GLU 99 21.426 -5.374 2.322 785 1HB GLU 99 2HB GLU 99 22.921 -6.015 -0.227 786 2HB GLU 99 1HB GLU 99 22.425 -7.173 0.999 787 1HG GLU 99 2HG GLU 99 20.043 -6.124 0.459 788 2HG GLU 99 1HG GLU 99 20.831 -5.812 -1.087 Start of MODEL 5 1 1H ARG 1 1H ARG 1 12.258 13.436 -8.889 2 2H ARG 1 2H ARG 1 11.097 13.372 -7.626 3 3H ARG 1 3H ARG 1 12.303 14.593 -7.625 4 HA ARG 1 HA ARG 1 10.382 15.621 -8.328 5 1HB ARG 1 2HB ARG 1 12.482 16.031 -9.619 6 2HB ARG 1 1HB ARG 1 11.947 14.837 -10.793 7 1HG ARG 1 2HG ARG 1 11.223 16.711 -11.837 8 2HG ARG 1 1HG ARG 1 9.803 16.393 -10.839 9 1HD ARG 1 2HD ARG 1 10.741 17.927 -9.123 10 2HD ARG 1 1HD ARG 1 12.047 18.315 -10.241 11 HE ARG 1 HE ARG 1 10.606 19.658 -11.407 12 1HH1 ARG 1 1HH1 ARG 1 8.758 17.598 -9.281 13 2HH1 ARG 1 2HH1 ARG 1 7.263 18.414 -9.585 14 1HH2 ARG 1 1HH2 ARG 1 8.640 20.734 -11.808 15 2HH2 ARG 1 2HH2 ARG 1 7.195 20.194 -11.021 16 H ASP 2 H ASP 2 10.948 12.772 -10.391 17 HA ASP 2 HA ASP 2 8.322 12.813 -11.503 18 1HB ASP 2 2HB ASP 2 10.567 10.809 -11.522 19 2HB ASP 2 1HB ASP 2 8.996 10.426 -12.220 20 H SER 3 H SER 3 9.885 10.421 -9.361 21 HA SER 3 HA SER 3 7.292 10.047 -8.028 22 1HB SER 3 2HB SER 3 9.032 7.991 -9.316 23 2HB SER 3 1HB SER 3 8.178 7.552 -7.837 24 HG SER 3 HG SER 3 7.209 7.567 -10.258 25 H GLY 4 H GLY 4 7.505 8.958 -5.892 26 1HA GLY 4 2HA GLY 4 9.568 10.240 -4.371 27 2HA GLY 4 1HA GLY 4 8.322 9.170 -3.743 28 H THR 5 H THR 5 10.922 9.094 -2.793 29 HA THR 5 HA THR 5 11.708 6.387 -3.606 30 HB THR 5 HB THR 5 13.776 8.514 -3.081 31 HG1 THR 5 1HG THR 5 13.318 9.303 -4.956 32 1HG2 THR 5 1HG2 THR 5 13.831 5.703 -3.809 33 2HG2 THR 5 2HG2 THR 5 15.096 6.730 -3.135 34 3HG2 THR 5 3HG2 THR 5 14.799 6.722 -4.874 35 H VAL 6 H VAL 6 12.889 5.236 -2.054 36 HA VAL 6 HA VAL 6 13.046 6.346 0.629 37 HB VAL 6 HB VAL 6 10.767 5.098 0.044 38 1HG1 VAL 6 1HG1 VAL 6 10.746 2.843 0.284 39 2HG1 VAL 6 2HG1 VAL 6 12.311 2.806 1.100 40 3HG1 VAL 6 3HG1 VAL 6 12.224 3.131 -0.632 41 1HG2 VAL 6 1HG2 VAL 6 10.685 4.335 2.461 42 2HG2 VAL 6 2HG2 VAL 6 11.071 6.034 2.202 43 3HG2 VAL 6 3HG2 VAL 6 12.353 4.887 2.595 44 H TRP 7 H TRP 7 14.457 5.185 2.007 45 HA TRP 7 HA TRP 7 16.068 3.144 0.624 46 1HB TRP 7 2HB TRP 7 17.003 5.209 2.628 47 2HB TRP 7 1HB TRP 7 18.012 3.961 1.902 48 HD1 TRP 7 HD TRP 7 16.182 7.217 1.005 49 HE1 TRP 7 1HE TRP 7 17.183 8.140 -1.180 50 HE3 TRP 7 3HE TRP 7 19.259 3.314 -0.184 51 HZ2 TRP 7 2HZ TRP 7 19.039 7.321 -3.145 52 HZ3 TRP 7 3HZ TRP 7 20.615 3.462 -2.234 53 HH2 TRP 7 HH TRP 7 20.505 5.424 -3.683 54 H GLY 8 H GLY 8 16.325 1.240 1.589 55 1HA GLY 8 2HA GLY 8 15.820 1.032 4.483 56 2HA GLY 8 1HA GLY 8 14.831 0.052 3.421 57 H ALA 9 H ALA 9 16.022 -1.489 5.072 58 HA ALA 9 HA ALA 9 18.422 -2.480 3.676 59 1HB ALA 9 1HB ALA 9 17.949 -2.495 6.650 60 2HB ALA 9 2HB ALA 9 19.108 -1.491 5.779 61 3HB ALA 9 3HB ALA 9 19.314 -3.243 5.821 62 H LEU 10 H LEU 10 18.431 -4.559 3.129 63 HA LEU 10 HA LEU 10 16.104 -6.095 3.114 64 1HB LEU 10 2HB LEU 10 18.242 -6.339 1.715 65 2HB LEU 10 1HB LEU 10 18.883 -7.259 3.060 66 HG LEU 10 HG LEU 10 16.409 -8.448 2.495 67 1HD1 LEU 10 1HD1 LEU 10 16.120 -7.509 0.389 68 2HD1 LEU 10 2HD1 LEU 10 16.896 -9.055 0.048 69 3HD1 LEU 10 3HD1 LEU 10 17.843 -7.568 0.019 70 1HD2 LEU 10 1HD2 LEU 10 17.723 -10.357 1.952 71 2HD2 LEU 10 2HD2 LEU 10 18.561 -9.480 3.232 72 3HD2 LEU 10 3HD2 LEU 10 19.122 -9.356 1.565 73 H GLY 11 H GLY 11 15.152 -7.425 4.511 74 1HA GLY 11 2HA GLY 11 15.010 -8.962 6.275 75 2HA GLY 11 1HA GLY 11 16.662 -8.565 6.725 76 H HIS 12 H HIS 12 15.367 -5.623 6.323 77 HA HIS 12 HA HIS 12 14.557 -5.472 9.141 78 1HB HIS 12 2HB HIS 12 16.291 -4.002 9.116 79 2HB HIS 12 1HB HIS 12 16.210 -3.785 7.373 80 HD1 HIS 12 1HD HIS 12 14.758 -1.897 6.481 81 HD2 HIS 12 2HD HIS 12 14.877 -2.108 10.623 82 HE1 HIS 12 1HE HIS 12 13.857 0.315 7.292 83 HE2 HIS 12 2HE HIS 12 14.024 0.195 9.804 84 H GLY 13 H GLY 13 12.968 -3.635 9.573 85 1HA GLY 13 2HA GLY 13 10.613 -4.132 8.036 86 2HA GLY 13 1HA GLY 13 10.772 -2.962 9.339 87 H ILE 14 H ILE 14 9.249 -1.897 7.708 88 HA ILE 14 HA ILE 14 10.244 0.414 6.734 89 HB ILE 14 HB ILE 14 11.691 -0.870 5.208 90 1HG1 ILE 14 2HG1 ILE 14 10.429 0.193 3.020 91 2HG1 ILE 14 1HG1 ILE 14 9.724 1.120 4.340 92 1HG2 ILE 14 1HG2 ILE 14 9.081 -1.958 4.239 93 2HG2 ILE 14 2HG2 ILE 14 10.534 -2.830 4.728 94 3HG2 ILE 14 3HG2 ILE 14 10.510 -1.937 3.207 95 1HD1 ILE 14 1HD1 ILE 14 11.691 2.133 4.860 96 2HD1 ILE 14 2HD1 ILE 14 11.939 1.874 3.133 97 3HD1 ILE 14 3HD1 ILE 14 12.670 0.773 4.304 98 H ASP 15 H ASP 15 8.588 1.707 6.112 99 HA ASP 15 HA ASP 15 6.046 0.384 5.424 100 1HB ASP 15 2HB ASP 15 6.472 1.682 7.742 101 2HB ASP 15 1HB ASP 15 5.961 3.039 6.743 102 H LEU 16 H LEU 16 5.263 0.900 3.506 103 HA LEU 16 HA LEU 16 6.398 3.035 1.945 104 1HB LEU 16 2HB LEU 16 4.790 0.681 1.492 105 2HB LEU 16 1HB LEU 16 4.056 2.051 0.699 106 HG LEU 16 HG LEU 16 5.448 1.857 -1.021 107 1HD1 LEU 16 1HD1 LEU 16 7.753 1.830 0.918 108 2HD1 LEU 16 2HD1 LEU 16 7.097 3.239 0.075 109 3HD1 LEU 16 3HD1 LEU 16 7.887 1.954 -0.835 110 1HD2 LEU 16 1HD2 LEU 16 6.524 -0.490 0.521 111 2HD2 LEU 16 2HD2 LEU 16 6.893 -0.154 -1.170 112 3HD2 LEU 16 3HD2 LEU 16 5.234 -0.495 -0.682 113 H ASP 17 H ASP 17 5.823 5.082 2.405 114 HA ASP 17 HA ASP 17 3.126 5.626 3.364 115 1HB ASP 17 2HB ASP 17 5.534 7.434 3.125 116 2HB ASP 17 1HB ASP 17 3.979 7.902 3.810 117 H ILE 18 H ILE 18 1.564 6.301 2.117 118 HA ILE 18 HA ILE 18 2.001 6.963 -0.646 119 HB ILE 18 HB ILE 18 -0.532 7.029 0.988 120 1HG1 ILE 18 2HG1 ILE 18 0.900 4.879 -0.505 121 2HG1 ILE 18 1HG1 ILE 18 0.077 4.792 1.040 122 1HG2 ILE 18 1HG2 ILE 18 -0.485 8.369 -1.166 123 2HG2 ILE 18 2HG2 ILE 18 -1.747 7.146 -1.028 124 3HG2 ILE 18 3HG2 ILE 18 -0.314 6.826 -2.003 125 1HD1 ILE 18 1HD1 ILE 18 -2.079 5.112 -0.248 126 2HD1 ILE 18 2HD1 ILE 18 -1.257 3.559 -0.405 127 3HD1 ILE 18 3HD1 ILE 18 -1.124 4.760 -1.691 128 HA PRO 19 HA PRO 19 2.550 11.345 0.221 129 1HB PRO 19 2HB PRO 19 2.146 11.563 -2.707 130 2HB PRO 19 1HB PRO 19 3.482 12.142 -1.707 131 1HG PRO 19 2HG PRO 19 3.786 10.023 -3.295 132 2HG PRO 19 1HG PRO 19 4.538 10.077 -1.689 133 1HD PRO 19 2HD PRO 19 2.070 8.639 -2.581 134 2HD PRO 19 1HD PRO 19 3.358 8.091 -1.489 135 H ASN 20 H ASN 20 1.099 12.785 0.804 136 HA ASN 20 HA ASN 20 -0.944 13.726 1.202 137 1HB ASN 20 2HB ASN 20 -0.377 13.985 -1.704 138 2HB ASN 20 1HB ASN 20 -1.966 14.488 -1.134 139 1HD2 ASN 20 1HD2 ASN 20 1.280 14.709 0.275 140 2HD2 ASN 20 2HD2 ASN 20 1.250 16.420 0.506 141 H PHE 21 H PHE 21 -1.671 11.374 1.805 142 HA PHE 21 HA PHE 21 -4.188 10.932 0.410 143 1HB PHE 21 2HB PHE 21 -3.047 9.212 -0.595 144 2HB PHE 21 1HB PHE 21 -1.976 8.964 0.774 145 HD1 PHE 21 1HD PHE 21 -2.252 7.045 1.958 146 HD2 PHE 21 2HD PHE 21 -5.593 8.717 -0.048 147 HE1 PHE 21 1HE PHE 21 -3.630 5.148 2.709 148 HE2 PHE 21 2HE PHE 21 -6.996 6.828 0.705 149 HZ PHE 21 HZ PHE 21 -6.010 5.040 2.080 150 H GLN 22 H GLN 22 -5.828 10.043 1.706 151 HA GLN 22 HA GLN 22 -5.210 9.769 4.566 152 1HB GLN 22 2HB GLN 22 -7.095 11.649 3.257 153 2HB GLN 22 1HB GLN 22 -7.659 10.864 4.726 154 1HG GLN 22 2HG GLN 22 -5.166 11.679 5.456 155 2HG GLN 22 1HG GLN 22 -5.663 12.967 4.358 156 1HE2 GLN 22 1HE2 GLN 22 -7.585 14.132 4.836 157 2HE2 GLN 22 2HE2 GLN 22 -8.170 14.238 6.458 158 H MET 23 H MET 23 -5.780 7.807 5.200 159 HA MET 23 HA MET 23 -7.797 6.320 3.722 160 1HB MET 23 2HB MET 23 -5.497 5.432 4.563 161 2HB MET 23 1HB MET 23 -6.318 5.261 6.108 162 1HG MET 23 2HG MET 23 -7.697 4.125 3.762 163 2HG MET 23 1HG MET 23 -6.207 3.327 4.264 164 1HE MET 23 1HE MET 23 -9.735 2.479 4.493 165 2HE MET 23 2HE MET 23 -9.782 4.197 4.890 166 3HE MET 23 3HE MET 23 -10.293 3.002 6.083 167 H THR 24 H THR 24 -9.715 7.325 4.337 168 HA THR 24 HA THR 24 -10.516 6.835 7.130 169 HB THR 24 HB THR 24 -11.872 8.854 7.079 170 HG1 THR 24 1HG THR 24 -12.349 9.772 5.270 171 1HG2 THR 24 1HG2 THR 24 -10.240 10.380 7.440 172 2HG2 THR 24 2HG2 THR 24 -9.334 9.921 5.999 173 3HG2 THR 24 3HG2 THR 24 -9.257 8.918 7.448 174 H ASP 25 H ASP 25 -13.145 7.334 7.055 175 HA ASP 25 HA ASP 25 -14.256 5.043 5.924 176 1HB ASP 25 2HB ASP 25 -15.777 7.575 6.568 177 2HB ASP 25 1HB ASP 25 -16.399 5.927 6.556 178 H ASP 26 H ASP 26 -13.807 8.241 4.603 179 HA ASP 26 HA ASP 26 -15.606 8.095 2.451 180 1HB ASP 26 2HB ASP 26 -14.064 10.056 3.406 181 2HB ASP 26 1HB ASP 26 -13.026 9.537 2.081 182 H ILE 27 H ILE 27 -12.498 6.651 2.962 183 HA ILE 27 HA ILE 27 -11.981 6.102 0.196 184 HB ILE 27 HB ILE 27 -10.704 5.124 2.748 185 1HG1 ILE 27 2HG1 ILE 27 -10.326 7.483 2.218 186 2HG1 ILE 27 1HG1 ILE 27 -8.847 6.562 2.019 187 1HG2 ILE 27 1HG2 ILE 27 -10.469 3.395 1.033 188 2HG2 ILE 27 2HG2 ILE 27 -8.924 4.165 1.390 189 3HG2 ILE 27 3HG2 ILE 27 -9.799 4.590 -0.079 190 1HD1 ILE 27 1HD1 ILE 27 -10.551 7.881 -0.017 191 2HD1 ILE 27 2HD1 ILE 27 -9.656 6.433 -0.476 192 3HD1 ILE 27 3HD1 ILE 27 -8.794 7.843 0.139 193 H ASP 28 H ASP 28 -12.731 4.322 -0.964 194 HA ASP 28 HA ASP 28 -14.217 2.297 0.526 195 1HB ASP 28 2HB ASP 28 -14.969 3.751 -1.648 196 2HB ASP 28 1HB ASP 28 -14.361 2.291 -2.420 197 H GLU 29 H GLU 29 -11.621 2.673 -1.886 198 HA GLU 29 HA GLU 29 -10.768 -0.031 -1.151 199 1HB GLU 29 2HB GLU 29 -10.945 0.752 -4.060 200 2HB GLU 29 1HB GLU 29 -10.494 -0.808 -3.394 201 1HG GLU 29 2HG GLU 29 -12.881 -0.660 -2.320 202 2HG GLU 29 1HG GLU 29 -13.167 0.436 -3.672 203 H VAL 30 H VAL 30 -8.638 -0.551 -1.608 204 HA VAL 30 HA VAL 30 -6.830 1.547 -2.508 205 HB VAL 30 HB VAL 30 -6.489 0.271 0.212 206 1HG1 VAL 30 1HG1 VAL 30 -4.344 0.783 -0.171 207 2HG1 VAL 30 2HG1 VAL 30 -4.843 2.453 0.097 208 3HG1 VAL 30 3HG1 VAL 30 -4.737 1.816 -1.545 209 1HG2 VAL 30 1HG2 VAL 30 -6.799 2.686 0.981 210 2HG2 VAL 30 2HG2 VAL 30 -8.244 1.802 0.490 211 3HG2 VAL 30 3HG2 VAL 30 -7.511 2.973 -0.606 212 H ARG 31 H ARG 31 -5.550 0.545 -3.949 213 HA ARG 31 HA ARG 31 -4.880 -2.284 -3.474 214 1HB ARG 31 2HB ARG 31 -4.505 -1.120 -6.179 215 2HB ARG 31 1HB ARG 31 -5.036 -2.726 -5.708 216 1HG ARG 31 2HG ARG 31 -7.166 -1.384 -4.890 217 2HG ARG 31 1HG ARG 31 -6.613 -0.253 -6.126 218 1HD ARG 31 2HD ARG 31 -7.287 -3.168 -6.489 219 2HD ARG 31 1HD ARG 31 -8.179 -1.784 -7.117 220 HE ARG 31 HE ARG 31 -5.475 -1.827 -8.028 221 1HH1 ARG 31 1HH1 ARG 31 -8.645 -3.179 -8.578 222 2HH1 ARG 31 2HH1 ARG 31 -8.344 -3.524 -10.247 223 1HH2 ARG 31 1HH2 ARG 31 -5.078 -2.280 -10.224 224 2HH2 ARG 31 2HH2 ARG 31 -6.319 -3.014 -11.183 225 H TRP 32 H TRP 32 -2.835 -2.932 -3.358 226 HA TRP 32 HA TRP 32 -0.705 -0.945 -3.812 227 1HB TRP 32 2HB TRP 32 -0.958 -3.189 -1.815 228 2HB TRP 32 1HB TRP 32 0.612 -2.530 -2.248 229 HD1 TRP 32 HD TRP 32 -2.583 -1.643 -0.340 230 HE1 TRP 32 1HE TRP 32 -2.121 0.429 1.118 231 HE3 TRP 32 3HE TRP 32 2.060 -0.444 -2.093 232 HZ2 TRP 32 2HZ TRP 32 -0.052 2.331 1.470 233 HZ3 TRP 32 3HZ TRP 32 3.213 1.516 -1.151 234 HH2 TRP 32 HH TRP 32 2.176 2.871 0.595 235 H GLU 33 H GLU 33 -0.577 -1.510 -6.037 236 HA GLU 33 HA GLU 33 0.256 -4.266 -6.597 237 1HB GLU 33 2HB GLU 33 -0.588 -2.081 -8.505 238 2HB GLU 33 1HB GLU 33 -0.201 -3.737 -8.951 239 1HG GLU 33 2HG GLU 33 -2.149 -4.572 -8.111 240 2HG GLU 33 1HG GLU 33 -2.313 -3.289 -6.913 241 H ARG 34 H ARG 34 2.071 -4.764 -7.771 242 HA ARG 34 HA ARG 34 4.009 -2.640 -8.311 243 1HB ARG 34 2HB ARG 34 4.480 -3.616 -6.047 244 2HB ARG 34 1HB ARG 34 4.717 -5.177 -6.821 245 1HG ARG 34 2HG ARG 34 6.302 -3.009 -7.984 246 2HG ARG 34 1HG ARG 34 6.681 -3.372 -6.299 247 1HD ARG 34 2HD ARG 34 8.016 -4.951 -7.180 248 2HD ARG 34 1HD ARG 34 6.519 -5.869 -7.340 249 HE ARG 34 HE ARG 34 6.667 -5.641 -9.611 250 1HH1 ARG 34 1HH1 ARG 34 8.805 -3.327 -8.110 251 2HH1 ARG 34 2HH1 ARG 34 9.531 -2.841 -9.605 252 1HH2 ARG 34 1HH2 ARG 34 7.620 -5.003 -11.578 253 2HH2 ARG 34 2HH2 ARG 34 8.859 -3.791 -11.574 254 H GLY 35 H GLY 35 4.606 -2.850 -10.378 255 1HA GLY 35 2HA GLY 35 5.071 -3.810 -12.420 256 2HA GLY 35 1HA GLY 35 5.632 -5.199 -11.508 257 H SER 36 H SER 36 4.630 -7.013 -11.923 258 HA SER 36 HA SER 36 1.842 -6.910 -12.874 259 1HB SER 36 2HB SER 36 4.102 -8.750 -13.666 260 2HB SER 36 1HB SER 36 2.413 -9.117 -14.019 261 HG SER 36 HG SER 36 2.748 -7.939 -15.725 262 H THR 37 H THR 37 2.341 -6.965 -10.157 263 HA THR 37 HA THR 37 1.134 -9.508 -9.442 264 HB THR 37 HB THR 37 3.762 -8.591 -8.261 265 HG1 THR 37 1HG THR 37 4.213 -9.729 -10.050 266 1HG2 THR 37 1HG2 THR 37 3.693 -10.678 -6.948 267 2HG2 THR 37 2HG2 THR 37 2.016 -10.900 -7.444 268 3HG2 THR 37 3HG2 THR 37 2.470 -9.504 -6.463 269 H LEU 38 H LEU 38 0.311 -9.527 -7.221 270 HA LEU 38 HA LEU 38 -0.391 -6.807 -6.327 271 1HB LEU 38 2HB LEU 38 -1.827 -9.378 -6.351 272 2HB LEU 38 1HB LEU 38 -1.956 -8.498 -4.849 273 HG LEU 38 HG LEU 38 -2.796 -7.495 -7.570 274 1HD1 LEU 38 1HD1 LEU 38 -4.641 -8.634 -7.048 275 2HD1 LEU 38 2HD1 LEU 38 -4.923 -7.382 -5.838 276 3HD1 LEU 38 3HD1 LEU 38 -4.119 -8.886 -5.380 277 1HD2 LEU 38 1HD2 LEU 38 -1.974 -5.604 -6.417 278 2HD2 LEU 38 2HD2 LEU 38 -2.661 -6.144 -4.885 279 3HD2 LEU 38 3HD2 LEU 38 -3.722 -5.588 -6.180 280 H VAL 39 H VAL 39 -0.167 -6.226 -4.165 281 HA VAL 39 HA VAL 39 1.536 -8.023 -2.578 282 HB VAL 39 HB VAL 39 1.595 -5.011 -2.798 283 1HG1 VAL 39 1HG1 VAL 39 2.977 -6.771 -0.776 284 2HG1 VAL 39 2HG1 VAL 39 1.756 -5.539 -0.456 285 3HG1 VAL 39 3HG1 VAL 39 3.348 -5.069 -1.053 286 1HG2 VAL 39 1HG2 VAL 39 4.004 -6.751 -2.980 287 2HG2 VAL 39 2HG2 VAL 39 3.632 -5.250 -3.830 288 3HG2 VAL 39 3HG2 VAL 39 2.878 -6.765 -4.338 289 H ALA 40 H ALA 40 -0.963 -5.527 -2.487 290 HA ALA 40 HA ALA 40 -2.372 -6.854 -0.401 291 1HB ALA 40 1HB ALA 40 -0.609 -5.884 0.972 292 2HB ALA 40 2HB ALA 40 -2.171 -5.150 1.336 293 3HB ALA 40 3HB ALA 40 -0.996 -4.279 0.351 294 H GLU 41 H GLU 41 -4.360 -6.596 -1.137 295 HA GLU 41 HA GLU 41 -5.194 -3.918 -2.037 296 1HB GLU 41 2HB GLU 41 -5.326 -6.416 -3.399 297 2HB GLU 41 1HB GLU 41 -6.972 -5.908 -3.043 298 1HG GLU 41 2HG GLU 41 -6.629 -3.819 -4.171 299 2HG GLU 41 1HG GLU 41 -4.922 -4.183 -4.406 300 H PHE 42 H PHE 42 -6.580 -2.967 -0.737 301 HA PHE 42 HA PHE 42 -8.247 -4.622 1.029 302 1HB PHE 42 2HB PHE 42 -6.820 -3.110 2.253 303 2HB PHE 42 1HB PHE 42 -7.338 -1.748 1.265 304 HD1 PHE 42 1HD PHE 42 -8.183 -3.944 4.043 305 HD2 PHE 42 2HD PHE 42 -9.536 -0.752 1.575 306 HE1 PHE 42 1HE PHE 42 -9.968 -3.453 5.663 307 HE2 PHE 42 2HE PHE 42 -11.324 -0.255 3.192 308 HZ PHE 42 HZ PHE 42 -11.541 -1.607 5.239 309 H LYS 43 H LYS 43 -10.446 -3.917 1.439 310 HA LYS 43 HA LYS 43 -11.653 -2.078 -0.444 311 1HB LYS 43 2HB LYS 43 -12.358 -5.016 -0.435 312 2HB LYS 43 1HB LYS 43 -13.303 -3.770 -1.237 313 1HG LYS 43 2HG LYS 43 -11.408 -3.252 -2.681 314 2HG LYS 43 1HG LYS 43 -10.448 -4.490 -1.869 315 1HD LYS 43 2HD LYS 43 -11.193 -5.655 -3.705 316 2HD LYS 43 1HD LYS 43 -12.456 -6.040 -2.535 317 1HE LYS 43 2HE LYS 43 -13.546 -3.849 -3.544 318 2HE LYS 43 1HE LYS 43 -12.549 -4.283 -4.931 319 1HZ LYS 43 1HZ LYS 43 -13.670 -6.631 -4.356 320 2HZ LYS 43 2HZ LYS 43 -14.329 -5.525 -5.454 321 3HZ LYS 43 3HZ LYS 43 -14.909 -5.588 -3.866 322 H ARG 44 H ARG 44 -13.779 -1.466 0.132 323 HA ARG 44 HA ARG 44 -14.288 -1.321 2.867 324 1HB ARG 44 2HB ARG 44 -15.145 0.287 1.245 325 2HB ARG 44 1HB ARG 44 -16.215 -0.942 0.598 326 1HG ARG 44 2HG ARG 44 -17.361 0.630 2.104 327 2HG ARG 44 1HG ARG 44 -17.438 -1.041 2.666 328 1HD ARG 44 2HD ARG 44 -16.964 0.441 4.522 329 2HD ARG 44 1HD ARG 44 -15.572 -0.593 4.201 330 HE ARG 44 HE ARG 44 -15.280 1.831 2.802 331 1HH1 ARG 44 1HH1 ARG 44 -15.212 0.574 6.057 332 2HH1 ARG 44 2HH1 ARG 44 -14.121 1.787 6.636 333 1HH2 ARG 44 1HH2 ARG 44 -13.845 3.428 3.563 334 2HH2 ARG 44 2HH2 ARG 44 -13.345 3.408 5.221 335 H LYS 45 H LYS 45 -14.256 -3.263 3.701 336 HA LYS 45 HA LYS 45 -15.278 -5.035 4.761 337 1HB LYS 45 2HB LYS 45 -17.575 -4.828 2.821 338 2HB LYS 45 1HB LYS 45 -17.561 -5.584 4.407 339 1HG LYS 45 2HG LYS 45 -17.931 -3.648 5.481 340 2HG LYS 45 1HG LYS 45 -16.901 -2.721 4.388 341 1HD LYS 45 2HD LYS 45 -18.904 -1.864 3.751 342 2HD LYS 45 1HD LYS 45 -18.898 -3.285 2.705 343 1HE LYS 45 2HE LYS 45 -20.008 -3.574 5.445 344 2HE LYS 45 1HE LYS 45 -20.962 -2.683 4.261 345 1HZ LYS 45 1HZ LYS 45 -19.957 -5.463 3.963 346 2HZ LYS 45 2HZ LYS 45 -20.819 -4.610 2.783 347 3HZ LYS 45 3HZ LYS 45 -21.561 -5.006 4.250 348 H MET 46 H MET 46 -15.628 -4.987 1.226 349 HA MET 46 HA MET 46 -15.750 -7.644 0.629 350 1HB MET 46 2HB MET 46 -14.523 -5.306 -0.738 351 2HB MET 46 1HB MET 46 -14.093 -6.900 -1.340 352 1HG MET 46 2HG MET 46 -16.957 -6.543 -0.905 353 2HG MET 46 1HG MET 46 -16.271 -5.447 -2.102 354 1HE MET 46 1HE MET 46 -18.498 -7.498 -2.455 355 2HE MET 46 2HE MET 46 -17.871 -9.005 -1.786 356 3HE MET 46 3HE MET 46 -18.123 -8.849 -3.524 357 H LYS 47 H LYS 47 -14.356 -9.358 0.409 358 HA LYS 47 HA LYS 47 -12.243 -9.597 2.203 359 1HB LYS 47 2HB LYS 47 -11.747 -11.709 1.123 360 2HB LYS 47 1HB LYS 47 -13.488 -11.504 1.249 361 1HG LYS 47 2HG LYS 47 -12.925 -10.439 -1.219 362 2HG LYS 47 1HG LYS 47 -11.803 -11.796 -1.103 363 1HD LYS 47 2HD LYS 47 -14.053 -12.955 -0.173 364 2HD LYS 47 1HD LYS 47 -14.749 -11.774 -1.284 365 1HE LYS 47 2HE LYS 47 -13.831 -12.763 -3.130 366 2HE LYS 47 1HE LYS 47 -12.451 -13.399 -2.235 367 1HZ LYS 47 1HZ LYS 47 -13.583 -15.249 -1.621 368 2HZ LYS 47 2HZ LYS 47 -14.409 -14.937 -3.064 369 3HZ LYS 47 3HZ LYS 47 -15.088 -14.476 -1.586 370 HA PRO 48 HA PRO 48 -9.091 -7.481 -0.182 371 1HB PRO 48 2HB PRO 48 -7.181 -7.452 1.693 372 2HB PRO 48 1HB PRO 48 -8.623 -6.439 1.831 373 1HG PRO 48 2HG PRO 48 -7.999 -9.038 3.173 374 2HG PRO 48 1HG PRO 48 -8.753 -7.583 3.848 375 1HD PRO 48 2HD PRO 48 -10.143 -9.805 3.005 376 2HD PRO 48 1HD PRO 48 -10.830 -8.172 3.096 377 H PHE 49 H PHE 49 -6.523 -7.916 -0.245 378 HA PHE 49 HA PHE 49 -6.039 -10.794 -0.513 379 1HB PHE 49 2HB PHE 49 -6.611 -10.129 -2.742 380 2HB PHE 49 1HB PHE 49 -5.581 -8.707 -2.647 381 HD1 PHE 49 1HD PHE 49 -3.233 -8.841 -3.063 382 HD2 PHE 49 2HD PHE 49 -5.604 -12.376 -2.925 383 HE1 PHE 49 1HE PHE 49 -1.363 -10.124 -3.999 384 HE2 PHE 49 2HE PHE 49 -3.733 -13.668 -3.867 385 HZ PHE 49 HZ PHE 49 -1.607 -12.543 -4.401 386 H LEU 50 H LEU 50 -4.493 -11.058 1.001 387 HA LEU 50 HA LEU 50 -2.302 -9.129 1.145 388 1HB LEU 50 2HB LEU 50 -3.530 -11.078 2.997 389 2HB LEU 50 1HB LEU 50 -1.790 -10.924 3.114 390 HG LEU 50 HG LEU 50 -3.829 -8.736 3.498 391 1HD1 LEU 50 1HD1 LEU 50 -2.598 -8.674 5.756 392 2HD1 LEU 50 2HD1 LEU 50 -2.029 -10.286 5.322 393 3HD1 LEU 50 3HD1 LEU 50 -3.759 -9.970 5.467 394 1HD2 LEU 50 1HD2 LEU 50 -2.202 -7.416 2.679 395 2HD2 LEU 50 2HD2 LEU 50 -0.949 -8.635 2.911 396 3HD2 LEU 50 3HD2 LEU 50 -1.482 -7.648 4.274 397 H LYS 51 H LYS 51 -0.654 -9.562 -0.208 398 HA LYS 51 HA LYS 51 -0.144 -11.831 -1.624 399 1HB LYS 51 2HB LYS 51 1.033 -9.747 -2.025 400 2HB LYS 51 1HB LYS 51 1.890 -9.899 -0.499 401 1HG LYS 51 2HG LYS 51 3.118 -11.783 -1.294 402 2HG LYS 51 1HG LYS 51 2.131 -11.876 -2.754 403 1HD LYS 51 2HD LYS 51 2.960 -9.504 -3.243 404 2HD LYS 51 1HD LYS 51 4.174 -9.807 -1.999 405 1HE LYS 51 2HE LYS 51 3.880 -11.915 -4.035 406 2HE LYS 51 1HE LYS 51 4.509 -10.376 -4.621 407 1HZ LYS 51 1HZ LYS 51 5.721 -12.312 -2.820 408 2HZ LYS 51 2HZ LYS 51 5.984 -10.684 -2.445 409 3HZ LYS 51 3HZ LYS 51 6.445 -11.289 -3.956 410 H SER 52 H SER 52 0.966 -11.132 1.665 411 HA SER 52 HA SER 52 1.043 -13.822 2.433 412 1HB SER 52 2HB SER 52 3.666 -13.812 2.731 413 2HB SER 52 1HB SER 52 2.938 -14.337 1.212 414 HG SER 52 HG SER 52 4.689 -12.788 1.009 415 H GLY 53 H GLY 53 2.088 -14.132 4.572 416 1HA GLY 53 2HA GLY 53 1.269 -12.198 6.381 417 2HA GLY 53 1HA GLY 53 2.388 -13.478 6.807 418 H ALA 54 H ALA 54 4.067 -12.054 4.421 419 HA ALA 54 HA ALA 54 5.735 -10.635 6.248 420 1HB ALA 54 1HB ALA 54 6.192 -10.256 3.366 421 2HB ALA 54 2HB ALA 54 6.208 -11.926 3.934 422 3HB ALA 54 3HB ALA 54 7.309 -10.745 4.642 423 H PHE 55 H PHE 55 2.896 -9.691 4.963 424 HA PHE 55 HA PHE 55 3.703 -6.868 5.013 425 1HB PHE 55 2HB PHE 55 1.676 -8.038 3.105 426 2HB PHE 55 1HB PHE 55 2.146 -6.353 3.213 427 HD1 PHE 55 1HD PHE 55 4.552 -5.758 2.727 428 HD2 PHE 55 2HD PHE 55 2.829 -9.502 1.693 429 HE1 PHE 55 1HE PHE 55 6.329 -6.105 1.065 430 HE2 PHE 55 2HE PHE 55 4.607 -9.868 0.030 431 HZ PHE 55 HZ PHE 55 6.362 -8.167 -0.286 432 H GLU 56 H GLU 56 2.023 -5.387 5.581 433 HA GLU 56 HA GLU 56 -0.431 -6.443 6.692 434 1HB GLU 56 2HB GLU 56 1.834 -5.466 8.362 435 2HB GLU 56 1HB GLU 56 0.211 -4.993 8.842 436 1HG GLU 56 2HG GLU 56 -0.408 -7.420 8.795 437 2HG GLU 56 1HG GLU 56 1.303 -7.778 8.566 438 H ILE 57 H ILE 57 -1.941 -5.116 5.965 439 HA ILE 57 HA ILE 57 -1.326 -2.503 4.995 440 HB ILE 57 HB ILE 57 -3.056 -3.904 3.947 441 1HG1 ILE 57 2HG1 ILE 57 -4.494 -1.493 4.985 442 2HG1 ILE 57 1HG1 ILE 57 -3.024 -1.279 4.041 443 1HG2 ILE 57 1HG2 ILE 57 -3.962 -4.281 6.555 444 2HG2 ILE 57 2HG2 ILE 57 -4.712 -4.866 5.070 445 3HG2 ILE 57 3HG2 ILE 57 -5.216 -3.326 5.765 446 1HD1 ILE 57 1HD1 ILE 57 -4.059 -1.754 2.128 447 2HD1 ILE 57 2HD1 ILE 57 -5.550 -1.491 3.033 448 3HD1 ILE 57 3HD1 ILE 57 -4.920 -3.125 2.826 449 H LEU 58 H LEU 58 -0.715 -1.080 6.531 450 HA LEU 58 HA LEU 58 -1.584 -0.853 9.134 451 1HB LEU 58 2HB LEU 58 -0.067 0.720 7.291 452 2HB LEU 58 1HB LEU 58 -1.150 1.781 8.170 453 HG LEU 58 HG LEU 58 -0.199 1.172 10.266 454 1HD1 LEU 58 1HD1 LEU 58 1.001 -1.084 8.722 455 2HD1 LEU 58 2HD1 LEU 58 0.144 -1.107 10.263 456 3HD1 LEU 58 3HD1 LEU 58 1.797 -0.497 10.182 457 1HD2 LEU 58 1HD2 LEU 58 2.386 1.390 9.524 458 2HD2 LEU 58 2HD2 LEU 58 1.261 2.747 9.592 459 3HD2 LEU 58 3HD2 LEU 58 1.582 1.943 8.055 460 H ALA 59 H ALA 59 -2.867 0.993 10.078 461 HA ALA 59 HA ALA 59 -5.537 0.840 9.147 462 1HB ALA 59 1HB ALA 59 -4.235 2.555 11.248 463 2HB ALA 59 2HB ALA 59 -5.177 1.083 11.480 464 3HB ALA 59 3HB ALA 59 -5.969 2.560 10.927 465 H ASN 60 H ASN 60 -2.945 3.043 8.488 466 HA ASN 60 HA ASN 60 -4.780 5.021 7.360 467 1HB ASN 60 2HB ASN 60 -2.828 6.466 7.149 468 2HB ASN 60 1HB ASN 60 -2.935 5.827 8.787 469 1HD2 ASN 60 1HD2 ASN 60 -1.521 4.095 9.376 470 2HD2 ASN 60 2HD2 ASN 60 0.001 3.912 8.581 471 H GLY 61 H GLY 61 -4.513 2.436 6.094 472 1HA GLY 61 2HA GLY 61 -4.284 1.545 3.991 473 2HA GLY 61 1HA GLY 61 -4.357 3.203 3.416 474 H ASP 62 H ASP 62 -1.867 1.942 5.547 475 HA ASP 62 HA ASP 62 0.106 2.511 3.448 476 1HB ASP 62 2HB ASP 62 0.024 3.267 6.123 477 2HB ASP 62 1HB ASP 62 1.208 1.965 6.088 478 H LEU 63 H LEU 63 2.087 1.116 3.474 479 HA LEU 63 HA LEU 63 1.270 -1.727 3.742 480 1HB LEU 63 2HB LEU 63 1.950 -0.769 1.479 481 2HB LEU 63 1HB LEU 63 3.575 -0.644 2.128 482 HG LEU 63 HG LEU 63 3.300 -3.185 2.632 483 1HD1 LEU 63 1HD1 LEU 63 0.821 -2.972 1.871 484 2HD1 LEU 63 2HD1 LEU 63 1.762 -4.392 1.408 485 3HD1 LEU 63 3HD1 LEU 63 1.504 -3.084 0.247 486 1HD2 LEU 63 1HD2 LEU 63 3.905 -3.579 0.122 487 2HD2 LEU 63 2HD2 LEU 63 4.978 -2.638 1.158 488 3HD2 LEU 63 3HD2 LEU 63 3.882 -1.818 0.047 489 H LYS 64 H LYS 64 2.143 -2.807 5.404 490 HA LYS 64 HA LYS 64 4.657 -1.803 6.549 491 1HB LYS 64 2HB LYS 64 2.319 -2.275 7.826 492 2HB LYS 64 1HB LYS 64 3.096 -3.840 8.022 493 1HG LYS 64 2HG LYS 64 5.119 -2.502 8.866 494 2HG LYS 64 1HG LYS 64 3.980 -1.165 9.031 495 1HD LYS 64 2HD LYS 64 3.843 -2.104 11.122 496 2HD LYS 64 1HD LYS 64 2.539 -2.957 10.292 497 1HE LYS 64 2HE LYS 64 3.633 -4.937 10.323 498 2HE LYS 64 1HE LYS 64 5.214 -4.186 10.105 499 1HZ LYS 64 1HZ LYS 64 5.248 -3.582 12.413 500 2HZ LYS 64 2HZ LYS 64 4.938 -5.240 12.292 501 3HZ LYS 64 3HZ LYS 64 3.678 -4.169 12.647 502 H ILE 65 H ILE 65 6.389 -2.847 5.828 503 HA ILE 65 HA ILE 65 6.186 -5.642 5.004 504 HB ILE 65 HB ILE 65 8.728 -4.059 4.945 505 1HG1 ILE 65 2HG1 ILE 65 6.399 -3.822 3.022 506 2HG1 ILE 65 1HG1 ILE 65 7.157 -2.535 3.951 507 1HG2 ILE 65 1HG2 ILE 65 7.669 -6.520 3.757 508 2HG2 ILE 65 2HG2 ILE 65 9.328 -6.063 4.140 509 3HG2 ILE 65 3HG2 ILE 65 8.583 -5.499 2.648 510 1HD1 ILE 65 1HD1 ILE 65 7.733 -3.330 1.329 511 2HD1 ILE 65 2HD1 ILE 65 9.123 -3.799 2.308 512 3HD1 ILE 65 3HD1 ILE 65 8.569 -2.125 2.308 513 H LYS 66 H LYS 66 7.150 -7.338 6.059 514 HA LYS 66 HA LYS 66 7.956 -6.866 8.789 515 1HB LYS 66 2HB LYS 66 6.459 -8.728 8.263 516 2HB LYS 66 1HB LYS 66 7.700 -9.443 7.242 517 1HG LYS 66 2HG LYS 66 9.154 -9.523 9.321 518 2HG LYS 66 1HG LYS 66 7.687 -9.151 10.228 519 1HD LYS 66 2HD LYS 66 8.023 -11.498 8.362 520 2HD LYS 66 1HD LYS 66 8.158 -11.574 10.120 521 1HE LYS 66 2HE LYS 66 5.698 -10.535 8.740 522 2HE LYS 66 1HE LYS 66 5.925 -12.248 9.092 523 1HZ LYS 66 1HZ LYS 66 6.458 -11.196 11.468 524 2HZ LYS 66 2HZ LYS 66 4.904 -11.670 10.998 525 3HZ LYS 66 3HZ LYS 66 5.358 -10.043 10.898 526 H ASN 67 H ASN 67 9.418 -8.303 5.932 527 HA ASN 67 HA ASN 67 12.055 -7.584 6.935 528 1HB ASN 67 2HB ASN 67 11.037 -10.283 6.878 529 2HB ASN 67 1HB ASN 67 12.400 -10.132 5.773 530 1HD2 ASN 67 1HD2 ASN 67 11.763 -8.474 8.827 531 2HD2 ASN 67 2HD2 ASN 67 13.176 -9.050 9.637 532 H LEU 68 H LEU 68 12.815 -6.327 5.376 533 HA LEU 68 HA LEU 68 11.915 -6.163 2.782 534 1HB LEU 68 2HB LEU 68 14.477 -5.375 4.108 535 2HB LEU 68 1HB LEU 68 14.254 -5.129 2.388 536 HG LEU 68 HG LEU 68 12.112 -4.130 4.165 537 1HD1 LEU 68 1HD1 LEU 68 14.034 -3.421 5.420 538 2HD1 LEU 68 2HD1 LEU 68 13.365 -2.034 4.566 539 3HD1 LEU 68 3HD1 LEU 68 14.819 -2.826 3.960 540 1HD2 LEU 68 1HD2 LEU 68 12.894 -2.206 2.324 541 2HD2 LEU 68 2HD2 LEU 68 11.530 -3.316 2.192 542 3HD2 LEU 68 3HD2 LEU 68 13.084 -3.743 1.481 543 H THR 69 H THR 69 12.647 -6.861 0.815 544 HA THR 69 HA THR 69 14.720 -8.897 0.690 545 HB THR 69 HB THR 69 13.070 -10.322 -0.712 546 HG1 THR 69 1HG THR 69 11.006 -9.902 -0.514 547 1HG2 THR 69 1HG2 THR 69 12.758 -10.158 2.272 548 2HG2 THR 69 2HG2 THR 69 13.925 -11.138 1.385 549 3HG2 THR 69 3HG2 THR 69 12.202 -11.488 1.258 550 H ARG 70 H ARG 70 15.284 -9.471 -1.547 551 HA ARG 70 HA ARG 70 15.771 -7.271 -3.153 552 1HB ARG 70 2HB ARG 70 15.393 -9.971 -4.409 553 2HB ARG 70 1HB ARG 70 16.590 -8.740 -4.774 554 1HG ARG 70 2HG ARG 70 18.013 -9.988 -3.608 555 2HG ARG 70 1HG ARG 70 17.173 -9.414 -2.167 556 1HD ARG 70 2HD ARG 70 16.864 -11.602 -1.762 557 2HD ARG 70 1HD ARG 70 15.553 -11.445 -2.928 558 HE ARG 70 HE ARG 70 16.729 -12.789 -4.342 559 1HH1 ARG 70 1HH1 ARG 70 18.954 -11.430 -2.023 560 2HH1 ARG 70 2HH1 ARG 70 20.304 -12.356 -2.588 561 1HH2 ARG 70 1HH2 ARG 70 18.502 -14.009 -5.086 562 2HH2 ARG 70 2HH2 ARG 70 20.047 -13.820 -4.327 563 H ASP 71 H ASP 71 13.272 -9.752 -3.733 564 HA ASP 71 HA ASP 71 12.074 -8.593 -5.940 565 1HB ASP 71 2HB ASP 71 11.544 -10.856 -5.148 566 2HB ASP 71 1HB ASP 71 10.733 -10.179 -3.739 567 H ASP 72 H ASP 72 11.948 -7.579 -2.634 568 HA ASP 72 HA ASP 72 9.541 -6.025 -2.932 569 1HB ASP 72 2HB ASP 72 10.935 -7.020 -0.772 570 2HB ASP 72 1HB ASP 72 11.284 -5.295 -0.699 571 H SER 73 H SER 73 12.816 -5.578 -3.743 572 HA SER 73 HA SER 73 12.821 -2.704 -3.474 573 1HB SER 73 2HB SER 73 14.853 -4.352 -3.381 574 2HB SER 73 1HB SER 73 14.804 -4.224 -5.139 575 HG SER 73 HG SER 73 16.119 -2.604 -4.524 576 H GLY 74 H GLY 74 11.907 -1.349 -4.893 577 1HA GLY 74 2HA GLY 74 12.251 -1.208 -7.575 578 2HA GLY 74 1HA GLY 74 10.929 -2.353 -7.402 579 H THR 75 H THR 75 9.315 -1.049 -8.303 580 HA THR 75 HA THR 75 8.732 1.471 -6.856 581 HB THR 75 HB THR 75 8.463 0.668 -9.736 582 HG1 THR 75 1HG THR 75 9.821 2.242 -9.975 583 1HG2 THR 75 1HG2 THR 75 6.941 2.947 -8.499 584 2HG2 THR 75 2HG2 THR 75 6.234 1.470 -9.152 585 3HG2 THR 75 3HG2 THR 75 7.082 2.587 -10.219 586 H TYR 76 H TYR 76 6.841 1.624 -5.817 587 HA TYR 76 HA TYR 76 4.877 -0.538 -6.195 588 1HB TYR 76 2HB TYR 76 5.501 1.202 -3.807 589 2HB TYR 76 1HB TYR 76 4.051 0.210 -3.905 590 HD1 TYR 76 1HD TYR 76 7.747 -0.140 -4.336 591 HD2 TYR 76 2HD TYR 76 4.130 -1.890 -2.945 592 HE1 TYR 76 1HE TYR 76 9.017 -2.051 -3.464 593 HE2 TYR 76 2HE TYR 76 5.393 -3.814 -2.069 594 HH TYR 76 HH TYR 76 8.864 -3.836 -1.953 595 H ASN 77 H ASN 77 2.848 -0.058 -6.841 596 HA ASN 77 HA ASN 77 2.181 2.796 -7.146 597 1HB ASN 77 2HB ASN 77 1.803 0.444 -8.925 598 2HB ASN 77 1HB ASN 77 0.532 1.662 -8.923 599 1HD2 ASN 77 1HD2 ASN 77 3.099 0.723 -10.573 600 2HD2 ASN 77 2HD2 ASN 77 3.680 2.236 -11.173 601 H VAL 78 H VAL 78 0.509 3.534 -6.013 602 HA VAL 78 HA VAL 78 -1.382 1.576 -4.904 603 HB VAL 78 HB VAL 78 -1.498 4.329 -3.849 604 1HG1 VAL 78 1HG1 VAL 78 -2.436 1.814 -3.158 605 2HG1 VAL 78 2HG1 VAL 78 -2.546 3.284 -2.195 606 3HG1 VAL 78 3HG1 VAL 78 -1.201 2.169 -1.953 607 1HG2 VAL 78 1HG2 VAL 78 0.789 4.431 -3.725 608 2HG2 VAL 78 2HG2 VAL 78 0.978 2.680 -3.604 609 3HG2 VAL 78 3HG2 VAL 78 0.423 3.608 -2.208 610 H THR 79 H THR 79 -3.488 1.666 -5.373 611 HA THR 79 HA THR 79 -4.455 3.950 -6.963 612 HB THR 79 HB THR 79 -6.014 1.511 -7.296 613 HG1 THR 79 1HG THR 79 -4.479 0.323 -8.373 614 1HG2 THR 79 1HG2 THR 79 -6.235 2.210 -9.411 615 2HG2 THR 79 2HG2 THR 79 -4.529 2.630 -9.567 616 3HG2 THR 79 3HG2 THR 79 -5.638 3.734 -8.753 617 H VAL 80 H VAL 80 -5.364 5.115 -5.351 618 HA VAL 80 HA VAL 80 -7.078 3.849 -3.380 619 HB VAL 80 HB VAL 80 -6.299 6.743 -3.798 620 1HG1 VAL 80 1HG1 VAL 80 -7.824 5.560 -1.484 621 2HG1 VAL 80 2HG1 VAL 80 -8.537 6.535 -2.768 622 3HG1 VAL 80 3HG1 VAL 80 -7.340 7.245 -1.684 623 1HG2 VAL 80 1HG2 VAL 80 -4.553 6.393 -2.449 624 2HG2 VAL 80 2HG2 VAL 80 -4.815 4.674 -2.737 625 3HG2 VAL 80 3HG2 VAL 80 -5.510 5.446 -1.312 626 H TYR 81 H TYR 81 -9.215 3.669 -3.517 627 HA TYR 81 HA TYR 81 -10.616 5.235 -5.586 628 1HB TYR 81 2HB TYR 81 -11.253 2.523 -4.473 629 2HB TYR 81 1HB TYR 81 -12.383 3.441 -5.428 630 HD1 TYR 81 1HD TYR 81 -8.770 3.393 -6.219 631 HD2 TYR 81 2HD TYR 81 -12.603 1.785 -7.121 632 HE1 TYR 81 1HE TYR 81 -7.873 2.443 -8.293 633 HE2 TYR 81 2HE TYR 81 -11.711 0.822 -9.200 634 HH TYR 81 HH TYR 81 -9.412 1.635 -10.766 635 H SER 82 H SER 82 -12.637 6.003 -5.149 636 HA SER 82 HA SER 82 -13.090 6.724 -2.362 637 1HB SER 82 2HB SER 82 -15.001 8.003 -3.975 638 2HB SER 82 1HB SER 82 -13.546 8.704 -3.269 639 HG SER 82 HG SER 82 -14.089 8.259 -5.836 640 H THR 83 H THR 83 -15.595 7.093 -1.950 641 HA THR 83 HA THR 83 -16.743 4.500 -1.809 642 HB THR 83 HB THR 83 -18.703 5.667 -0.842 643 HG1 THR 83 1HG THR 83 -17.240 8.043 -1.327 644 1HG2 THR 83 1HG2 THR 83 -16.297 5.394 0.338 645 2HG2 THR 83 2HG2 THR 83 -17.733 6.032 1.141 646 3HG2 THR 83 3HG2 THR 83 -16.533 7.137 0.470 647 H ASN 84 H ASN 84 -16.937 7.056 -4.126 648 HA ASN 84 HA ASN 84 -19.421 6.245 -5.294 649 1HB ASN 84 2HB ASN 84 -17.234 8.134 -6.116 650 2HB ASN 84 1HB ASN 84 -18.548 7.738 -7.219 651 1HD2 ASN 84 1HD2 ASN 84 -20.685 8.299 -6.630 652 2HD2 ASN 84 2HD2 ASN 84 -20.987 9.572 -5.502 653 H GLY 85 H GLY 85 -16.426 4.811 -5.296 654 1HA GLY 85 2HA GLY 85 -15.820 2.860 -6.415 655 2HA GLY 85 1HA GLY 85 -17.175 3.097 -7.508 656 H THR 86 H THR 86 -14.960 5.704 -6.940 657 HA THR 86 HA THR 86 -13.869 5.307 -9.647 658 HB THR 86 HB THR 86 -13.517 7.994 -8.642 659 HG1 THR 86 1HG THR 86 -16.155 6.966 -8.664 660 1HG2 THR 86 1HG2 THR 86 -14.075 6.744 -11.079 661 2HG2 THR 86 2HG2 THR 86 -13.808 8.461 -10.778 662 3HG2 THR 86 3HG2 THR 86 -15.444 7.804 -10.744 663 H ARG 87 H ARG 87 -11.789 7.043 -9.641 664 HA ARG 87 HA ARG 87 -9.986 5.832 -7.659 665 1HB ARG 87 2HB ARG 87 -9.361 5.348 -9.951 666 2HB ARG 87 1HB ARG 87 -9.392 7.059 -10.358 667 1HG ARG 87 2HG ARG 87 -7.532 7.423 -8.764 668 2HG ARG 87 1HG ARG 87 -7.465 5.679 -8.504 669 1HD ARG 87 2HD ARG 87 -7.066 7.095 -11.137 670 2HD ARG 87 1HD ARG 87 -5.791 6.409 -10.131 671 HE ARG 87 HE ARG 87 -7.471 4.318 -10.591 672 1HH1 ARG 87 1HH1 ARG 87 -5.769 6.573 -12.640 673 2HH1 ARG 87 2HH1 ARG 87 -5.604 5.451 -13.949 674 1HH2 ARG 87 1HH2 ARG 87 -7.253 2.841 -12.312 675 2HH2 ARG 87 2HH2 ARG 87 -6.446 3.333 -13.763 676 H ILE 88 H ILE 88 -9.478 7.063 -6.004 677 HA ILE 88 HA ILE 88 -9.861 9.911 -6.034 678 HB ILE 88 HB ILE 88 -8.702 8.105 -3.908 679 1HG1 ILE 88 2HG1 ILE 88 -11.447 9.348 -4.168 680 2HG1 ILE 88 1HG1 ILE 88 -11.063 7.655 -4.461 681 1HG2 ILE 88 1HG2 ILE 88 -8.634 10.933 -4.104 682 2HG2 ILE 88 2HG2 ILE 88 -8.117 9.911 -2.761 683 3HG2 ILE 88 3HG2 ILE 88 -9.777 10.505 -2.831 684 1HD1 ILE 88 1HD1 ILE 88 -10.198 8.579 -1.845 685 2HD1 ILE 88 2HD1 ILE 88 -11.143 7.160 -2.296 686 3HD1 ILE 88 3HD1 ILE 88 -11.937 8.722 -2.099 687 H LEU 89 H LEU 89 -7.027 7.776 -5.582 688 HA LEU 89 HA LEU 89 -5.355 9.779 -6.851 689 1HB LEU 89 2HB LEU 89 -4.994 10.675 -4.779 690 2HB LEU 89 1HB LEU 89 -5.282 9.159 -3.950 691 HG LEU 89 HG LEU 89 -2.806 9.411 -5.596 692 1HD1 LEU 89 1HD1 LEU 89 -1.701 10.815 -4.221 693 2HD1 LEU 89 2HD1 LEU 89 -2.584 10.281 -2.789 694 3HD1 LEU 89 3HD1 LEU 89 -3.321 11.434 -3.900 695 1HD2 LEU 89 1HD2 LEU 89 -2.715 8.260 -2.909 696 2HD2 LEU 89 2HD2 LEU 89 -2.161 7.599 -4.447 697 3HD2 LEU 89 3HD2 LEU 89 -3.857 7.460 -3.988 698 H ASN 90 H ASN 90 -3.681 8.948 -7.915 699 HA ASN 90 HA ASN 90 -3.035 6.099 -7.512 700 1HB ASN 90 2HB ASN 90 -4.040 7.295 -9.828 701 2HB ASN 90 1HB ASN 90 -2.313 7.148 -10.137 702 1HD2 ASN 90 1HD2 ASN 90 -1.826 4.817 -8.658 703 2HD2 ASN 90 2HD2 ASN 90 -2.595 3.496 -9.462 704 H LYS 91 H LYS 91 -1.161 6.095 -6.400 705 HA LYS 91 HA LYS 91 0.915 8.017 -7.248 706 1HB LYS 91 2HB LYS 91 0.476 6.786 -4.529 707 2HB LYS 91 1HB LYS 91 1.828 7.821 -4.952 708 1HG LYS 91 2HG LYS 91 -0.866 8.895 -5.490 709 2HG LYS 91 1HG LYS 91 -0.407 8.711 -3.796 710 1HD LYS 91 2HD LYS 91 0.299 10.869 -4.313 711 2HD LYS 91 1HD LYS 91 1.770 9.909 -4.482 712 1HE LYS 91 2HE LYS 91 1.553 9.873 -6.863 713 2HE LYS 91 1HE LYS 91 -0.048 10.605 -6.781 714 1HZ LYS 91 1HZ LYS 91 1.644 12.218 -7.399 715 2HZ LYS 91 2HZ LYS 91 2.488 11.917 -5.965 716 3HZ LYS 91 3HZ LYS 91 0.951 12.620 -5.909 717 H ALA 92 H ALA 92 3.109 7.397 -7.092 718 HA ALA 92 HA ALA 92 3.668 4.523 -7.079 719 1HB ALA 92 1HB ALA 92 3.337 5.594 -9.440 720 2HB ALA 92 2HB ALA 92 4.680 4.489 -9.149 721 3HB ALA 92 3HB ALA 92 4.957 6.230 -9.159 722 H LEU 93 H LEU 93 5.310 4.138 -5.724 723 HA LEU 93 HA LEU 93 7.245 6.311 -5.237 724 1HB LEU 93 2HB LEU 93 6.720 4.149 -3.238 725 2HB LEU 93 1HB LEU 93 7.356 5.762 -2.982 726 HG LEU 93 HG LEU 93 5.005 6.584 -3.648 727 1HD1 LEU 93 1HD1 LEU 93 3.774 4.867 -4.461 728 2HD1 LEU 93 2HD1 LEU 93 3.382 4.661 -2.755 729 3HD1 LEU 93 3HD1 LEU 93 4.624 3.656 -3.502 730 1HD2 LEU 93 1HD2 LEU 93 4.163 6.039 -1.302 731 2HD2 LEU 93 2HD2 LEU 93 5.696 6.901 -1.431 732 3HD2 LEU 93 3HD2 LEU 93 5.683 5.171 -1.087 733 H ASP 94 H ASP 94 9.407 5.650 -4.608 734 HA ASP 94 HA ASP 94 10.204 3.153 -5.946 735 1HB ASP 94 2HB ASP 94 11.731 5.722 -5.485 736 2HB ASP 94 1HB ASP 94 12.462 4.251 -6.120 737 H LEU 95 H LEU 95 10.549 1.572 -4.502 738 HA LEU 95 HA LEU 95 11.617 2.265 -1.865 739 1HB LEU 95 2HB LEU 95 9.540 0.609 -2.630 740 2HB LEU 95 1HB LEU 95 10.839 -0.520 -2.301 741 HG LEU 95 HG LEU 95 9.674 1.494 -0.382 742 1HD1 LEU 95 1HD1 LEU 95 8.483 -0.171 0.521 743 2HD1 LEU 95 2HD1 LEU 95 9.771 -1.354 0.294 744 3HD1 LEU 95 3HD1 LEU 95 8.703 -0.945 -1.047 745 1HD2 LEU 95 1HD2 LEU 95 11.303 1.040 1.146 746 2HD2 LEU 95 2HD2 LEU 95 12.250 0.925 -0.336 747 3HD2 LEU 95 3HD2 LEU 95 11.668 -0.540 0.456 748 H ARG 96 H ARG 96 13.829 2.332 -2.072 749 HA ARG 96 HA ARG 96 15.173 0.155 -3.479 750 1HB ARG 96 2HB ARG 96 16.913 2.178 -2.254 751 2HB ARG 96 1HB ARG 96 16.859 1.558 -3.889 752 1HG ARG 96 2HG ARG 96 14.985 3.642 -2.820 753 2HG ARG 96 1HG ARG 96 16.426 3.967 -3.779 754 1HD ARG 96 2HD ARG 96 13.870 2.640 -4.598 755 2HD ARG 96 1HD ARG 96 14.711 3.991 -5.353 756 HE ARG 96 HE ARG 96 15.102 1.226 -5.889 757 1HH1 ARG 96 1HH1 ARG 96 16.770 4.287 -5.724 758 2HH1 ARG 96 2HH1 ARG 96 17.998 3.821 -6.851 759 1HH2 ARG 96 1HH2 ARG 96 16.716 0.611 -7.372 760 2HH2 ARG 96 2HH2 ARG 96 17.968 1.734 -7.788 761 H ILE 97 H ILE 97 15.979 -1.527 -2.461 762 HA ILE 97 HA ILE 97 16.296 -1.384 0.459 763 HB ILE 97 HB ILE 97 16.234 -3.969 -1.042 764 1HG1 ILE 97 2HG1 ILE 97 14.264 -2.937 -1.898 765 2HG1 ILE 97 1HG1 ILE 97 13.738 -4.004 -0.600 766 1HG2 ILE 97 1HG2 ILE 97 15.649 -4.907 0.993 767 2HG2 ILE 97 2HG2 ILE 97 15.033 -3.384 1.632 768 3HG2 ILE 97 3HG2 ILE 97 16.770 -3.627 1.458 769 1HD1 ILE 97 1HD1 ILE 97 14.075 -1.691 0.751 770 2HD1 ILE 97 2HD1 ILE 97 12.553 -2.221 0.036 771 3HD1 ILE 97 3HD1 ILE 97 13.589 -1.089 -0.833 772 H LEU 98 H LEU 98 18.303 -1.244 1.183 773 HA LEU 98 HA LEU 98 20.576 -1.785 -0.424 774 1HB LEU 98 2HB LEU 98 19.974 -0.741 2.276 775 2HB LEU 98 1HB LEU 98 21.547 -1.460 2.057 776 HG LEU 98 HG LEU 98 20.414 0.843 0.489 777 1HD1 LEU 98 1HD1 LEU 98 22.486 0.650 2.656 778 2HD1 LEU 98 2HD1 LEU 98 21.026 1.637 2.620 779 3HD1 LEU 98 3HD1 LEU 98 22.381 2.030 1.562 780 1HD2 LEU 98 1HD2 LEU 98 22.805 -0.868 0.096 781 2HD2 LEU 98 2HD2 LEU 98 22.983 0.864 -0.182 782 3HD2 LEU 98 3HD2 LEU 98 21.784 -0.056 -1.090 783 H GLU 99 H GLU 99 21.541 -3.677 -0.665 784 HA GLU 99 HA GLU 99 20.786 -5.920 1.028 785 1HB GLU 99 2HB GLU 99 22.401 -5.750 -1.519 786 2HB GLU 99 1HB GLU 99 22.122 -7.248 -0.643 787 1HG GLU 99 2HG GLU 99 19.955 -7.391 -1.289 788 2HG GLU 99 1HG GLU 99 19.744 -5.642 -1.358 Start of MODEL 6 1 1H ARG 1 1H ARG 1 4.733 17.678 -6.386 2 2H ARG 1 2H ARG 1 5.800 17.481 -7.716 3 3H ARG 1 3H ARG 1 6.222 18.527 -6.422 4 HA ARG 1 HA ARG 1 7.455 16.609 -6.133 5 1HB ARG 1 2HB ARG 1 5.858 17.641 -4.252 6 2HB ARG 1 1HB ARG 1 5.185 16.018 -4.300 7 1HG ARG 1 2HG ARG 1 7.017 15.081 -3.367 8 2HG ARG 1 1HG ARG 1 8.126 16.221 -4.131 9 1HD ARG 1 2HD ARG 1 8.004 17.689 -2.420 10 2HD ARG 1 1HD ARG 1 6.294 17.369 -2.131 11 HE ARG 1 HE ARG 1 8.536 16.107 -0.853 12 1HH1 ARG 1 1HH1 ARG 1 5.173 15.759 -1.720 13 2HH1 ARG 1 2HH1 ARG 1 4.841 14.609 -0.467 14 1HH2 ARG 1 1HH2 ARG 1 8.101 14.595 0.794 15 2HH2 ARG 1 2HH2 ARG 1 6.502 13.949 0.960 16 H ASP 2 H ASP 2 7.167 15.362 -8.108 17 HA ASP 2 HA ASP 2 5.253 13.144 -7.835 18 1HB ASP 2 2HB ASP 2 5.526 14.781 -9.955 19 2HB ASP 2 1HB ASP 2 6.701 13.545 -10.393 20 H SER 3 H SER 3 5.957 11.001 -8.348 21 HA SER 3 HA SER 3 7.355 9.217 -8.165 22 1HB SER 3 2HB SER 3 9.134 11.262 -9.455 23 2HB SER 3 1HB SER 3 9.794 9.701 -8.969 24 HG SER 3 HG SER 3 8.673 10.140 -11.196 25 H GLY 4 H GLY 4 7.634 8.611 -6.111 26 1HA GLY 4 2HA GLY 4 9.397 10.230 -4.396 27 2HA GLY 4 1HA GLY 4 8.167 9.115 -3.821 28 H THR 5 H THR 5 10.803 9.107 -2.883 29 HA THR 5 HA THR 5 11.632 6.423 -3.737 30 HB THR 5 HB THR 5 13.649 8.595 -3.187 31 HG1 THR 5 1HG THR 5 13.719 9.059 -5.293 32 1HG2 THR 5 1HG2 THR 5 13.782 5.782 -3.927 33 2HG2 THR 5 2HG2 THR 5 15.003 6.829 -3.203 34 3HG2 THR 5 3HG2 THR 5 14.755 6.839 -4.950 35 H VAL 6 H VAL 6 12.817 5.252 -2.204 36 HA VAL 6 HA VAL 6 12.940 6.315 0.504 37 HB VAL 6 HB VAL 6 10.690 5.074 -0.113 38 1HG1 VAL 6 1HG1 VAL 6 12.068 2.695 0.900 39 2HG1 VAL 6 2HG1 VAL 6 12.295 3.125 -0.796 40 3HG1 VAL 6 3HG1 VAL 6 10.672 2.854 -0.167 41 1HG2 VAL 6 1HG2 VAL 6 12.289 4.755 2.417 42 2HG2 VAL 6 2HG2 VAL 6 10.631 4.174 2.268 43 3HG2 VAL 6 3HG2 VAL 6 10.981 5.892 2.086 44 H TRP 7 H TRP 7 14.301 5.073 1.917 45 HA TRP 7 HA TRP 7 16.004 3.137 0.492 46 1HB TRP 7 2HB TRP 7 16.873 5.145 2.581 47 2HB TRP 7 1HB TRP 7 17.915 3.960 1.796 48 HD1 TRP 7 HD TRP 7 15.926 7.162 0.998 49 HE1 TRP 7 1HE TRP 7 16.940 8.238 -1.109 50 HE3 TRP 7 3HE TRP 7 19.291 3.517 -0.237 51 HZ2 TRP 7 2HZ TRP 7 18.906 7.623 -3.038 52 HZ3 TRP 7 3HZ TRP 7 20.700 3.838 -2.229 53 HH2 TRP 7 HH TRP 7 20.509 5.849 -3.600 54 H GLY 8 H GLY 8 16.464 1.253 1.469 55 1HA GLY 8 2HA GLY 8 15.949 0.920 4.328 56 2HA GLY 8 1HA GLY 8 14.921 -0.021 3.261 57 H ALA 9 H ALA 9 16.234 -1.583 4.874 58 HA ALA 9 HA ALA 9 18.504 -2.576 3.281 59 1HB ALA 9 1HB ALA 9 18.315 -2.553 6.287 60 2HB ALA 9 2HB ALA 9 19.389 -1.563 5.296 61 3HB ALA 9 3HB ALA 9 19.595 -3.315 5.343 62 H LEU 10 H LEU 10 18.472 -4.670 2.773 63 HA LEU 10 HA LEU 10 16.158 -6.197 2.952 64 1HB LEU 10 2HB LEU 10 18.574 -6.453 1.693 65 2HB LEU 10 1HB LEU 10 18.647 -7.758 2.861 66 HG LEU 10 HG LEU 10 16.318 -8.425 1.926 67 1HD1 LEU 10 1HD1 LEU 10 15.609 -6.780 0.517 68 2HD1 LEU 10 2HD1 LEU 10 16.451 -7.808 -0.643 69 3HD1 LEU 10 3HD1 LEU 10 17.241 -6.366 -0.006 70 1HD2 LEU 10 1HD2 LEU 10 18.666 -9.478 1.605 71 2HD2 LEU 10 2HD2 LEU 10 18.548 -8.804 -0.021 72 3HD2 LEU 10 3HD2 LEU 10 17.341 -9.959 0.545 73 H GLY 11 H GLY 11 15.313 -7.593 4.377 74 1HA GLY 11 2HA GLY 11 15.294 -9.081 6.189 75 2HA GLY 11 1HA GLY 11 16.931 -8.584 6.588 76 H HIS 12 H HIS 12 15.614 -5.701 6.190 77 HA HIS 12 HA HIS 12 14.763 -5.540 8.994 78 1HB HIS 12 2HB HIS 12 16.475 -4.045 8.964 79 2HB HIS 12 1HB HIS 12 16.400 -3.845 7.218 80 HD1 HIS 12 1HD HIS 12 14.971 -1.969 6.300 81 HD2 HIS 12 2HD HIS 12 14.982 -2.176 10.444 82 HE1 HIS 12 1HE HIS 12 14.021 0.232 7.084 83 HE2 HIS 12 2HE HIS 12 13.937 0.035 9.596 84 H GLY 13 H GLY 13 13.145 -3.714 9.396 85 1HA GLY 13 2HA GLY 13 10.815 -4.251 7.820 86 2HA GLY 13 1HA GLY 13 10.931 -3.097 9.143 87 H ILE 14 H ILE 14 9.447 -1.954 7.579 88 HA ILE 14 HA ILE 14 10.489 0.342 6.615 89 HB ILE 14 HB ILE 14 11.855 -0.967 5.031 90 1HG1 ILE 14 2HG1 ILE 14 10.589 0.194 2.898 91 2HG1 ILE 14 1HG1 ILE 14 9.945 1.115 4.251 92 1HG2 ILE 14 1HG2 ILE 14 9.235 -2.112 4.342 93 2HG2 ILE 14 2HG2 ILE 14 10.839 -2.842 4.313 94 3HG2 ILE 14 3HG2 ILE 14 10.323 -1.788 2.997 95 1HD1 ILE 14 1HD1 ILE 14 12.866 0.675 4.203 96 2HD1 ILE 14 2HD1 ILE 14 11.934 2.084 4.713 97 3HD1 ILE 14 3HD1 ILE 14 12.191 1.770 2.996 98 H ASP 15 H ASP 15 8.876 1.700 6.055 99 HA ASP 15 HA ASP 15 6.257 0.488 5.457 100 1HB ASP 15 2HB ASP 15 6.368 1.508 7.702 101 2HB ASP 15 1HB ASP 15 6.823 3.045 6.974 102 H LEU 16 H LEU 16 5.250 1.111 3.660 103 HA LEU 16 HA LEU 16 6.504 3.154 1.989 104 1HB LEU 16 2HB LEU 16 4.882 0.767 1.559 105 2HB LEU 16 1HB LEU 16 4.285 2.128 0.639 106 HG LEU 16 HG LEU 16 5.891 1.914 -0.903 107 1HD1 LEU 16 1HD1 LEU 16 7.857 1.610 1.353 108 2HD1 LEU 16 2HD1 LEU 16 7.622 2.994 0.285 109 3HD1 LEU 16 3HD1 LEU 16 8.310 1.499 -0.346 110 1HD2 LEU 16 1HD2 LEU 16 6.697 -0.593 0.550 111 2HD2 LEU 16 2HD2 LEU 16 6.835 -0.254 -1.176 112 3HD2 LEU 16 3HD2 LEU 16 5.244 -0.448 -0.439 113 H ASP 17 H ASP 17 5.883 5.157 2.605 114 HA ASP 17 HA ASP 17 3.150 5.641 3.447 115 1HB ASP 17 2HB ASP 17 5.471 7.562 3.222 116 2HB ASP 17 1HB ASP 17 3.921 7.894 3.990 117 H ILE 18 H ILE 18 1.591 6.299 2.191 118 HA ILE 18 HA ILE 18 2.032 6.996 -0.562 119 HB ILE 18 HB ILE 18 -0.505 7.003 1.067 120 1HG1 ILE 18 2HG1 ILE 18 0.949 4.887 -0.453 121 2HG1 ILE 18 1HG1 ILE 18 0.131 4.774 1.092 122 1HG2 ILE 18 1HG2 ILE 18 -0.293 6.833 -1.923 123 2HG2 ILE 18 2HG2 ILE 18 -0.473 8.369 -1.074 124 3HG2 ILE 18 3HG2 ILE 18 -1.724 7.133 -0.939 125 1HD1 ILE 18 1HD1 ILE 18 -1.094 4.795 -1.631 126 2HD1 ILE 18 2HD1 ILE 18 -2.032 5.065 -0.161 127 3HD1 ILE 18 3HD1 ILE 18 -1.176 3.541 -0.394 128 HA PRO 19 HA PRO 19 2.501 11.378 0.361 129 1HB PRO 19 2HB PRO 19 2.064 11.626 -2.561 130 2HB PRO 19 1HB PRO 19 3.393 12.229 -1.566 131 1HG PRO 19 2HG PRO 19 3.744 10.138 -3.178 132 2HG PRO 19 1HG PRO 19 4.499 10.188 -1.574 133 1HD PRO 19 2HD PRO 19 2.064 8.704 -2.478 134 2HD PRO 19 1HD PRO 19 3.367 8.171 -1.397 135 H ASN 20 H ASN 20 1.023 12.773 0.988 136 HA ASN 20 HA ASN 20 -1.038 13.660 1.422 137 1HB ASN 20 2HB ASN 20 -0.193 14.918 -0.547 138 2HB ASN 20 1HB ASN 20 -1.104 13.831 -1.592 139 1HD2 ASN 20 1HD2 ASN 20 -1.726 15.660 1.391 140 2HD2 ASN 20 2HD2 ASN 20 -3.208 16.363 0.849 141 H PHE 21 H PHE 21 -1.702 11.291 2.000 142 HA PHE 21 HA PHE 21 -4.226 10.804 0.636 143 1HB PHE 21 2HB PHE 21 -3.032 9.169 -0.457 144 2HB PHE 21 1HB PHE 21 -1.948 8.891 0.898 145 HD1 PHE 21 1HD PHE 21 -2.191 6.962 2.074 146 HD2 PHE 21 2HD PHE 21 -5.543 8.533 0.005 147 HE1 PHE 21 1HE PHE 21 -3.509 4.992 2.745 148 HE2 PHE 21 2HE PHE 21 -6.883 6.573 0.674 149 HZ PHE 21 HZ PHE 21 -5.862 4.797 2.042 150 H GLN 22 H GLN 22 -5.795 9.760 1.934 151 HA GLN 22 HA GLN 22 -5.105 9.338 4.748 152 1HB GLN 22 2HB GLN 22 -6.995 11.362 3.660 153 2HB GLN 22 1HB GLN 22 -7.471 10.514 5.124 154 1HG GLN 22 2HG GLN 22 -5.036 11.182 5.885 155 2HG GLN 22 1HG GLN 22 -5.267 12.448 4.680 156 1HE2 GLN 22 1HE2 GLN 22 -7.221 10.893 7.207 157 2HE2 GLN 22 2HE2 GLN 22 -7.803 12.364 7.899 158 H MET 23 H MET 23 -5.756 7.370 5.283 159 HA MET 23 HA MET 23 -7.763 5.996 3.725 160 1HB MET 23 2HB MET 23 -5.570 5.037 4.778 161 2HB MET 23 1HB MET 23 -6.548 4.888 6.231 162 1HG MET 23 2HG MET 23 -8.184 3.751 4.404 163 2HG MET 23 1HG MET 23 -6.603 3.335 3.744 164 1HE MET 23 1HE MET 23 -7.779 1.157 3.898 165 2HE MET 23 2HE MET 23 -8.789 0.816 5.303 166 3HE MET 23 3HE MET 23 -7.225 0.021 5.127 167 H THR 24 H THR 24 -9.534 7.437 4.295 168 HA THR 24 HA THR 24 -10.619 6.913 6.983 169 HB THR 24 HB THR 24 -11.887 8.975 6.765 170 HG1 THR 24 1HG THR 24 -10.621 9.325 4.256 171 1HG2 THR 24 1HG2 THR 24 -10.137 10.048 7.569 172 2HG2 THR 24 2HG2 THR 24 -9.601 10.361 5.919 173 3HG2 THR 24 3HG2 THR 24 -9.036 8.924 6.773 174 H ASP 25 H ASP 25 -13.216 7.501 6.700 175 HA ASP 25 HA ASP 25 -14.325 5.204 5.570 176 1HB ASP 25 2HB ASP 25 -15.768 7.813 6.081 177 2HB ASP 25 1HB ASP 25 -16.485 6.207 5.997 178 H ASP 26 H ASP 26 -13.686 8.345 4.193 179 HA ASP 26 HA ASP 26 -15.346 8.201 1.936 180 1HB ASP 26 2HB ASP 26 -12.865 9.716 2.631 181 2HB ASP 26 1HB ASP 26 -13.417 9.721 0.959 182 H ILE 27 H ILE 27 -12.292 6.702 2.659 183 HA ILE 27 HA ILE 27 -11.754 5.969 -0.073 184 HB ILE 27 HB ILE 27 -10.420 5.156 2.512 185 1HG1 ILE 27 2HG1 ILE 27 -10.088 7.500 2.123 186 2HG1 ILE 27 1HG1 ILE 27 -8.616 6.681 1.652 187 1HG2 ILE 27 1HG2 ILE 27 -10.084 3.462 0.794 188 2HG2 ILE 27 2HG2 ILE 27 -8.588 4.334 1.122 189 3HG2 ILE 27 3HG2 ILE 27 -9.519 4.699 -0.329 190 1HD1 ILE 27 1HD1 ILE 27 -8.833 8.066 -0.121 191 2HD1 ILE 27 2HD1 ILE 27 -10.593 8.120 0.000 192 3HD1 ILE 27 3HD1 ILE 27 -9.802 6.718 -0.718 193 H ASP 28 H ASP 28 -12.496 4.077 -1.048 194 HA ASP 28 HA ASP 28 -13.730 2.080 0.709 195 1HB ASP 28 2HB ASP 28 -14.826 3.461 -1.431 196 2HB ASP 28 1HB ASP 28 -14.436 1.884 -2.110 197 H GLU 29 H GLU 29 -11.737 2.437 -2.256 198 HA GLU 29 HA GLU 29 -10.840 -0.329 -1.736 199 1HB GLU 29 2HB GLU 29 -12.254 -0.181 -3.747 200 2HB GLU 29 1HB GLU 29 -11.138 0.984 -4.437 201 1HG GLU 29 2HG GLU 29 -10.676 -1.121 -5.414 202 2HG GLU 29 1HG GLU 29 -9.357 -0.747 -4.306 203 H VAL 30 H VAL 30 -8.764 -0.502 -1.239 204 HA VAL 30 HA VAL 30 -6.871 1.505 -2.290 205 HB VAL 30 HB VAL 30 -6.411 0.025 0.295 206 1HG1 VAL 30 1HG1 VAL 30 -5.185 2.413 0.526 207 2HG1 VAL 30 2HG1 VAL 30 -5.105 2.185 -1.221 208 3HG1 VAL 30 3HG1 VAL 30 -4.416 0.972 -0.141 209 1HG2 VAL 30 1HG2 VAL 30 -7.134 2.277 1.342 210 2HG2 VAL 30 2HG2 VAL 30 -8.380 1.124 0.864 211 3HG2 VAL 30 3HG2 VAL 30 -8.020 2.512 -0.165 212 H ARG 31 H ARG 31 -5.597 0.569 -3.781 213 HA ARG 31 HA ARG 31 -4.914 -2.274 -3.419 214 1HB ARG 31 2HB ARG 31 -4.547 -1.002 -6.077 215 2HB ARG 31 1HB ARG 31 -5.060 -2.631 -5.669 216 1HG ARG 31 2HG ARG 31 -7.279 -1.906 -5.208 217 2HG ARG 31 1HG ARG 31 -6.807 -0.209 -5.308 218 1HD ARG 31 2HD ARG 31 -8.004 -1.149 -7.324 219 2HD ARG 31 1HD ARG 31 -6.470 -0.339 -7.641 220 HE ARG 31 HE ARG 31 -6.134 -3.145 -7.275 221 1HH1 ARG 31 1HH1 ARG 31 -7.115 -0.728 -9.592 222 2HH1 ARG 31 2HH1 ARG 31 -6.708 -1.700 -10.966 223 1HH2 ARG 31 1HH2 ARG 31 -5.596 -4.425 -9.081 224 2HH2 ARG 31 2HH2 ARG 31 -5.845 -3.799 -10.677 225 H TRP 32 H TRP 32 -2.880 -2.900 -3.272 226 HA TRP 32 HA TRP 32 -0.743 -0.918 -3.715 227 1HB TRP 32 2HB TRP 32 -1.016 -3.147 -1.701 228 2HB TRP 32 1HB TRP 32 0.559 -2.497 -2.129 229 HD1 TRP 32 HD TRP 32 -2.660 -1.562 -0.272 230 HE1 TRP 32 1HE TRP 32 -2.187 0.502 1.190 231 HE3 TRP 32 3HE TRP 32 2.034 -0.444 -1.945 232 HZ2 TRP 32 2HZ TRP 32 -0.092 2.366 1.583 233 HZ3 TRP 32 3HZ TRP 32 3.202 1.497 -0.983 234 HH2 TRP 32 HH TRP 32 2.158 2.869 0.743 235 H GLU 33 H GLU 33 -0.518 -1.474 -5.915 236 HA GLU 33 HA GLU 33 0.204 -4.259 -6.477 237 1HB GLU 33 2HB GLU 33 -0.455 -2.013 -8.384 238 2HB GLU 33 1HB GLU 33 -0.121 -3.678 -8.841 239 1HG GLU 33 2HG GLU 33 -2.092 -4.447 -7.721 240 2HG GLU 33 1HG GLU 33 -2.389 -2.844 -7.051 241 H ARG 34 H ARG 34 2.030 -4.848 -7.582 242 HA ARG 34 HA ARG 34 4.102 -2.833 -8.032 243 1HB ARG 34 2HB ARG 34 4.545 -3.734 -5.795 244 2HB ARG 34 1HB ARG 34 4.493 -5.373 -6.431 245 1HG ARG 34 2HG ARG 34 6.395 -4.269 -8.012 246 2HG ARG 34 1HG ARG 34 6.644 -3.382 -6.508 247 1HD ARG 34 2HD ARG 34 7.982 -5.186 -6.107 248 2HD ARG 34 1HD ARG 34 6.459 -5.802 -5.466 249 HE ARG 34 HE ARG 34 6.877 -6.404 -8.246 250 1HH1 ARG 34 1HH1 ARG 34 7.472 -7.448 -4.970 251 2HH1 ARG 34 2HH1 ARG 34 7.681 -9.111 -5.405 252 1HH2 ARG 34 1HH2 ARG 34 7.153 -8.590 -8.820 253 2HH2 ARG 34 2HH2 ARG 34 7.502 -9.760 -7.590 254 H GLY 35 H GLY 35 4.688 -3.061 -10.102 255 1HA GLY 35 2HA GLY 35 5.161 -4.037 -12.135 256 2HA GLY 35 1HA GLY 35 5.667 -5.440 -11.210 257 H SER 36 H SER 36 4.621 -7.226 -11.645 258 HA SER 36 HA SER 36 1.851 -7.044 -12.637 259 1HB SER 36 2HB SER 36 3.321 -7.833 -14.402 260 2HB SER 36 1HB SER 36 3.995 -9.066 -13.337 261 HG SER 36 HG SER 36 2.395 -10.300 -13.869 262 H THR 37 H THR 37 2.309 -7.102 -9.913 263 HA THR 37 HA THR 37 1.028 -9.613 -9.206 264 HB THR 37 HB THR 37 3.636 -8.731 -7.957 265 HG1 THR 37 1HG THR 37 3.011 -11.130 -9.326 266 1HG2 THR 37 1HG2 THR 37 2.307 -9.652 -6.202 267 2HG2 THR 37 2HG2 THR 37 3.507 -10.851 -6.686 268 3HG2 THR 37 3HG2 THR 37 1.833 -11.018 -7.213 269 H LEU 38 H LEU 38 0.169 -9.596 -6.991 270 HA LEU 38 HA LEU 38 -0.507 -6.853 -6.151 271 1HB LEU 38 2HB LEU 38 -1.968 -9.414 -6.110 272 2HB LEU 38 1HB LEU 38 -2.092 -8.487 -4.637 273 HG LEU 38 HG LEU 38 -2.895 -7.521 -7.384 274 1HD1 LEU 38 1HD1 LEU 38 -4.267 -8.892 -5.195 275 2HD1 LEU 38 2HD1 LEU 38 -4.718 -8.720 -6.893 276 3HD1 LEU 38 3HD1 LEU 38 -5.076 -7.425 -5.752 277 1HD2 LEU 38 1HD2 LEU 38 -3.833 -5.602 -6.083 278 2HD2 LEU 38 2HD2 LEU 38 -2.071 -5.653 -6.140 279 3HD2 LEU 38 3HD2 LEU 38 -2.922 -6.176 -4.687 280 H VAL 39 H VAL 39 -0.269 -6.220 -4.010 281 HA VAL 39 HA VAL 39 1.400 -8.005 -2.375 282 HB VAL 39 HB VAL 39 1.511 -5.001 -2.666 283 1HG1 VAL 39 1HG1 VAL 39 1.672 -5.503 -0.311 284 2HG1 VAL 39 2HG1 VAL 39 3.260 -5.038 -0.926 285 3HG1 VAL 39 3HG1 VAL 39 2.892 -6.737 -0.624 286 1HG2 VAL 39 1HG2 VAL 39 2.787 -6.922 -4.101 287 2HG2 VAL 39 2HG2 VAL 39 3.945 -6.664 -2.797 288 3HG2 VAL 39 3HG2 VAL 39 3.447 -5.311 -3.813 289 H ALA 40 H ALA 40 -1.047 -5.459 -2.352 290 HA ALA 40 HA ALA 40 -2.482 -6.712 -0.235 291 1HB ALA 40 1HB ALA 40 -1.071 -4.134 0.437 292 2HB ALA 40 2HB ALA 40 -0.730 -5.722 1.124 293 3HB ALA 40 3HB ALA 40 -2.279 -4.940 1.439 294 H GLU 41 H GLU 41 -4.437 -6.480 -1.046 295 HA GLU 41 HA GLU 41 -5.283 -3.815 -1.971 296 1HB GLU 41 2HB GLU 41 -5.338 -6.311 -3.344 297 2HB GLU 41 1HB GLU 41 -7.000 -5.829 -3.031 298 1HG GLU 41 2HG GLU 41 -6.642 -3.718 -4.131 299 2HG GLU 41 1HG GLU 41 -4.933 -4.092 -4.350 300 H PHE 42 H PHE 42 -6.779 -2.896 -0.761 301 HA PHE 42 HA PHE 42 -8.376 -4.577 1.036 302 1HB PHE 42 2HB PHE 42 -7.133 -2.919 2.230 303 2HB PHE 42 1HB PHE 42 -7.642 -1.649 1.124 304 HD1 PHE 42 1HD PHE 42 -8.570 -3.681 4.001 305 HD2 PHE 42 2HD PHE 42 -9.888 -0.726 1.237 306 HE1 PHE 42 1HE PHE 42 -10.467 -3.151 5.476 307 HE2 PHE 42 2HE PHE 42 -11.786 -0.191 2.705 308 HZ PHE 42 HZ PHE 42 -12.078 -1.404 4.830 309 H LYS 43 H LYS 43 -10.603 -4.362 1.178 310 HA LYS 43 HA LYS 43 -12.007 -2.538 -0.580 311 1HB LYS 43 2HB LYS 43 -11.455 -4.534 -1.996 312 2HB LYS 43 1HB LYS 43 -12.409 -5.517 -0.894 313 1HG LYS 43 2HG LYS 43 -14.413 -4.419 -1.497 314 2HG LYS 43 1HG LYS 43 -13.539 -3.144 -2.348 315 1HD LYS 43 2HD LYS 43 -12.879 -4.638 -4.079 316 2HD LYS 43 1HD LYS 43 -13.437 -6.041 -3.164 317 1HE LYS 43 2HE LYS 43 -15.113 -5.678 -4.758 318 2HE LYS 43 1HE LYS 43 -15.753 -4.971 -3.275 319 1HZ LYS 43 1HZ LYS 43 -14.758 -3.625 -5.692 320 2HZ LYS 43 2HZ LYS 43 -14.685 -2.821 -4.206 321 3HZ LYS 43 3HZ LYS 43 -16.176 -3.340 -4.815 322 H ARG 44 H ARG 44 -13.586 -1.734 0.638 323 HA ARG 44 HA ARG 44 -14.386 -2.736 3.085 324 1HB ARG 44 2HB ARG 44 -14.746 -0.415 2.408 325 2HB ARG 44 1HB ARG 44 -15.947 -0.951 1.242 326 1HG ARG 44 2HG ARG 44 -17.550 -1.029 2.780 327 2HG ARG 44 1HG ARG 44 -16.524 -1.905 3.918 328 1HD ARG 44 2HD ARG 44 -16.613 1.073 3.460 329 2HD ARG 44 1HD ARG 44 -17.149 0.200 4.895 330 HE ARG 44 HE ARG 44 -14.441 0.901 4.191 331 1HH1 ARG 44 1HH1 ARG 44 -16.472 -1.193 6.108 332 2HH1 ARG 44 2HH1 ARG 44 -15.240 -1.523 7.279 333 1HH2 ARG 44 1HH2 ARG 44 -12.821 0.466 5.729 334 2HH2 ARG 44 2HH2 ARG 44 -13.168 -0.582 7.064 335 H LYS 45 H LYS 45 -16.139 -2.835 0.115 336 HA LYS 45 HA LYS 45 -18.061 -4.732 1.131 337 1HB LYS 45 2HB LYS 45 -17.702 -3.266 -1.452 338 2HB LYS 45 1HB LYS 45 -18.765 -4.663 -1.396 339 1HG LYS 45 2HG LYS 45 -20.119 -3.618 0.306 340 2HG LYS 45 1HG LYS 45 -19.012 -2.244 0.379 341 1HD LYS 45 2HD LYS 45 -19.825 -1.322 -1.517 342 2HD LYS 45 1HD LYS 45 -20.083 -2.887 -2.291 343 1HE LYS 45 2HE LYS 45 -21.821 -2.257 0.012 344 2HE LYS 45 1HE LYS 45 -22.081 -1.299 -1.445 345 1HZ LYS 45 1HZ LYS 45 -23.292 -3.580 -1.076 346 2HZ LYS 45 2HZ LYS 45 -21.862 -4.205 -1.728 347 3HZ LYS 45 3HZ LYS 45 -22.784 -3.100 -2.618 348 H MET 46 H MET 46 -15.584 -5.864 1.336 349 HA MET 46 HA MET 46 -15.881 -8.339 0.137 350 1HB MET 46 2HB MET 46 -14.720 -6.379 -1.616 351 2HB MET 46 1HB MET 46 -13.540 -7.631 -1.265 352 1HG MET 46 2HG MET 46 -16.200 -8.653 -1.880 353 2HG MET 46 1HG MET 46 -15.455 -7.749 -3.197 354 1HE MET 46 1HE MET 46 -12.431 -8.231 -2.818 355 2HE MET 46 2HE MET 46 -13.163 -8.482 -4.402 356 3HE MET 46 3HE MET 46 -12.102 -9.713 -3.717 357 H LYS 47 H LYS 47 -13.408 -9.354 -0.074 358 HA LYS 47 HA LYS 47 -12.262 -8.839 2.581 359 1HB LYS 47 2HB LYS 47 -12.456 -11.266 0.849 360 2HB LYS 47 1HB LYS 47 -11.117 -11.142 1.983 361 1HG LYS 47 2HG LYS 47 -13.146 -10.525 3.622 362 2HG LYS 47 1HG LYS 47 -13.991 -11.569 2.478 363 1HD LYS 47 2HD LYS 47 -12.833 -13.424 3.105 364 2HD LYS 47 1HD LYS 47 -11.368 -12.514 3.478 365 1HE LYS 47 2HE LYS 47 -13.871 -12.475 5.157 366 2HE LYS 47 1HE LYS 47 -12.483 -13.516 5.469 367 1HZ LYS 47 1HZ LYS 47 -12.557 -10.551 5.540 368 2HZ LYS 47 2HZ LYS 47 -11.124 -11.449 5.607 369 3HZ LYS 47 3HZ LYS 47 -12.278 -11.605 6.834 370 HA PRO 48 HA PRO 48 -8.638 -7.209 0.634 371 1HB PRO 48 2HB PRO 48 -6.885 -7.398 2.679 372 2HB PRO 48 1HB PRO 48 -8.203 -6.222 2.665 373 1HG PRO 48 2HG PRO 48 -8.030 -8.857 4.069 374 2HG PRO 48 1HG PRO 48 -8.670 -7.312 4.660 375 1HD PRO 48 2HD PRO 48 -10.249 -9.337 3.738 376 2HD PRO 48 1HD PRO 48 -10.703 -7.624 3.644 377 H PHE 49 H PHE 49 -6.617 -7.805 -0.206 378 HA PHE 49 HA PHE 49 -6.049 -10.693 -0.098 379 1HB PHE 49 2HB PHE 49 -6.702 -10.151 -2.325 380 2HB PHE 49 1HB PHE 49 -5.703 -8.702 -2.343 381 HD1 PHE 49 1HD PHE 49 -3.341 -8.820 -2.806 382 HD2 PHE 49 2HD PHE 49 -5.689 -12.364 -2.546 383 HE1 PHE 49 1HE PHE 49 -1.502 -10.104 -3.797 384 HE2 PHE 49 2HE PHE 49 -3.847 -13.657 -3.542 385 HZ PHE 49 HZ PHE 49 -1.749 -12.527 -4.164 386 H LEU 50 H LEU 50 -4.476 -10.872 1.417 387 HA LEU 50 HA LEU 50 -2.224 -9.023 1.366 388 1HB LEU 50 2HB LEU 50 -3.378 -10.931 3.316 389 2HB LEU 50 1HB LEU 50 -1.639 -10.746 3.359 390 HG LEU 50 HG LEU 50 -3.676 -8.553 3.731 391 1HD1 LEU 50 1HD1 LEU 50 -3.620 -9.759 5.721 392 2HD1 LEU 50 2HD1 LEU 50 -2.458 -8.460 5.989 393 3HD1 LEU 50 3HD1 LEU 50 -1.892 -10.082 5.589 394 1HD2 LEU 50 1HD2 LEU 50 -2.034 -7.266 2.895 395 2HD2 LEU 50 2HD2 LEU 50 -0.798 -8.499 3.137 396 3HD2 LEU 50 3HD2 LEU 50 -1.309 -7.486 4.490 397 H LYS 51 H LYS 51 -0.640 -9.519 -0.039 398 HA LYS 51 HA LYS 51 -0.235 -11.837 -1.415 399 1HB LYS 51 2HB LYS 51 0.951 -9.792 -1.946 400 2HB LYS 51 1HB LYS 51 1.867 -9.895 -0.450 401 1HG LYS 51 2HG LYS 51 2.889 -11.991 -1.262 402 2HG LYS 51 1HG LYS 51 2.028 -11.785 -2.788 403 1HD LYS 51 2HD LYS 51 3.183 -9.675 -3.172 404 2HD LYS 51 1HD LYS 51 4.012 -9.832 -1.622 405 1HE LYS 51 2HE LYS 51 4.672 -12.186 -2.737 406 2HE LYS 51 1HE LYS 51 4.504 -11.204 -4.191 407 1HZ LYS 51 1HZ LYS 51 6.232 -9.844 -3.582 408 2HZ LYS 51 2HZ LYS 51 6.769 -11.326 -2.969 409 3HZ LYS 51 3HZ LYS 51 6.081 -10.181 -1.930 410 H SER 52 H SER 52 0.917 -11.088 1.831 411 HA SER 52 HA SER 52 1.059 -13.767 2.625 412 1HB SER 52 2HB SER 52 3.680 -13.710 2.906 413 2HB SER 52 1HB SER 52 2.956 -14.251 1.391 414 HG SER 52 HG SER 52 3.746 -11.572 1.865 415 H GLY 53 H GLY 53 2.116 -14.032 4.762 416 1HA GLY 53 2HA GLY 53 1.286 -12.060 6.537 417 2HA GLY 53 1HA GLY 53 2.377 -13.352 6.993 418 H ALA 54 H ALA 54 4.067 -11.955 4.576 419 HA ALA 54 HA ALA 54 5.769 -10.562 6.399 420 1HB ALA 54 1HB ALA 54 6.230 -11.881 4.107 421 2HB ALA 54 2HB ALA 54 7.337 -10.685 4.783 422 3HB ALA 54 3HB ALA 54 6.212 -10.222 3.505 423 H PHE 55 H PHE 55 2.937 -9.572 5.151 424 HA PHE 55 HA PHE 55 3.802 -6.766 5.152 425 1HB PHE 55 2HB PHE 55 1.709 -7.910 3.299 426 2HB PHE 55 1HB PHE 55 2.228 -6.236 3.375 427 HD1 PHE 55 1HD PHE 55 2.878 -9.487 1.989 428 HD2 PHE 55 2HD PHE 55 4.551 -5.650 2.723 429 HE1 PHE 55 1HE PHE 55 4.608 -9.923 0.293 430 HE2 PHE 55 2HE PHE 55 6.281 -6.069 1.028 431 HZ PHE 55 HZ PHE 55 6.313 -8.212 -0.190 432 H GLU 56 H GLU 56 2.162 -5.245 5.738 433 HA GLU 56 HA GLU 56 -0.292 -6.246 6.904 434 1HB GLU 56 2HB GLU 56 1.782 -6.236 8.594 435 2HB GLU 56 1HB GLU 56 1.323 -4.545 8.739 436 1HG GLU 56 2HG GLU 56 0.014 -5.356 10.378 437 2HG GLU 56 1HG GLU 56 -1.084 -5.663 9.032 438 H ILE 57 H ILE 57 -1.782 -4.908 6.158 439 HA ILE 57 HA ILE 57 -1.140 -2.307 5.171 440 HB ILE 57 HB ILE 57 -2.889 -3.689 4.132 441 1HG1 ILE 57 2HG1 ILE 57 -4.296 -1.262 5.185 442 2HG1 ILE 57 1HG1 ILE 57 -2.838 -1.068 4.217 443 1HG2 ILE 57 1HG2 ILE 57 -5.044 -3.102 5.947 444 2HG2 ILE 57 2HG2 ILE 57 -3.791 -4.045 6.753 445 3HG2 ILE 57 3HG2 ILE 57 -4.535 -4.648 5.272 446 1HD1 ILE 57 1HD1 ILE 57 -5.150 -2.714 3.260 447 2HD1 ILE 57 2HD1 ILE 57 -3.834 -2.003 2.326 448 3HD1 ILE 57 3HD1 ILE 57 -5.080 -0.967 3.021 449 H LEU 58 H LEU 58 -0.505 -0.888 6.704 450 HA LEU 58 HA LEU 58 -1.333 -0.634 9.307 451 1HB LEU 58 2HB LEU 58 0.112 0.953 7.411 452 2HB LEU 58 1HB LEU 58 -0.949 1.997 8.335 453 HG LEU 58 HG LEU 58 0.082 1.382 10.392 454 1HD1 LEU 58 1HD1 LEU 58 1.371 -0.797 8.783 455 2HD1 LEU 58 2HD1 LEU 58 0.402 -0.932 10.250 456 3HD1 LEU 58 3HD1 LEU 58 2.033 -0.265 10.328 457 1HD2 LEU 58 1HD2 LEU 58 1.750 2.225 8.130 458 2HD2 LEU 58 2HD2 LEU 58 2.642 1.627 9.529 459 3HD2 LEU 58 3HD2 LEU 58 1.515 2.971 9.710 460 H ALA 59 H ALA 59 -2.630 1.171 10.280 461 HA ALA 59 HA ALA 59 -5.312 0.998 9.393 462 1HB ALA 59 1HB ALA 59 -4.448 1.352 11.768 463 2HB ALA 59 2HB ALA 59 -5.881 2.257 11.282 464 3HB ALA 59 3HB ALA 59 -4.308 3.055 11.333 465 H ASN 60 H ASN 60 -2.754 3.224 8.692 466 HA ASN 60 HA ASN 60 -4.619 5.197 7.612 467 1HB ASN 60 2HB ASN 60 -2.665 6.637 7.344 468 2HB ASN 60 1HB ASN 60 -2.746 6.010 8.988 469 1HD2 ASN 60 1HD2 ASN 60 -1.324 4.294 9.575 470 2HD2 ASN 60 2HD2 ASN 60 0.180 4.088 8.749 471 H GLY 61 H GLY 61 -4.377 2.612 6.334 472 1HA GLY 61 2HA GLY 61 -4.204 1.731 4.220 473 2HA GLY 61 1HA GLY 61 -4.288 3.392 3.654 474 H ASP 62 H ASP 62 -1.751 2.095 5.715 475 HA ASP 62 HA ASP 62 0.169 2.668 3.565 476 1HB ASP 62 2HB ASP 62 0.156 3.387 6.280 477 2HB ASP 62 1HB ASP 62 1.401 2.151 6.132 478 H LEU 63 H LEU 63 2.222 1.272 3.719 479 HA LEU 63 HA LEU 63 1.372 -1.567 3.963 480 1HB LEU 63 2HB LEU 63 2.003 -0.591 1.680 481 2HB LEU 63 1HB LEU 63 3.649 -0.536 2.284 482 HG LEU 63 HG LEU 63 3.351 -3.053 2.752 483 1HD1 LEU 63 1HD1 LEU 63 1.356 -2.924 0.536 484 2HD1 LEU 63 2HD1 LEU 63 0.816 -2.782 2.211 485 3HD1 LEU 63 3HD1 LEU 63 1.681 -4.228 1.684 486 1HD2 LEU 63 1HD2 LEU 63 3.780 -1.657 0.170 487 2HD2 LEU 63 2HD2 LEU 63 3.658 -3.415 0.153 488 3HD2 LEU 63 3HD2 LEU 63 4.895 -2.626 1.132 489 H LYS 64 H LYS 64 2.324 -2.700 5.544 490 HA LYS 64 HA LYS 64 4.883 -1.712 6.613 491 1HB LYS 64 2HB LYS 64 3.043 -1.726 8.233 492 2HB LYS 64 1HB LYS 64 2.784 -3.439 7.937 493 1HG LYS 64 2HG LYS 64 4.552 -4.068 9.195 494 2HG LYS 64 1HG LYS 64 5.503 -2.644 8.767 495 1HD LYS 64 2HD LYS 64 3.676 -1.398 10.190 496 2HD LYS 64 1HD LYS 64 3.459 -2.995 10.910 497 1HE LYS 64 2HE LYS 64 5.660 -3.058 11.709 498 2HE LYS 64 1HE LYS 64 6.175 -1.749 10.645 499 1HZ LYS 64 1HZ LYS 64 4.328 -0.494 12.063 500 2HZ LYS 64 2HZ LYS 64 5.949 -0.567 12.536 501 3HZ LYS 64 3HZ LYS 64 4.822 -1.627 13.218 502 H ILE 65 H ILE 65 6.541 -2.799 5.750 503 HA ILE 65 HA ILE 65 6.239 -5.587 4.969 504 HB ILE 65 HB ILE 65 8.834 -4.093 4.850 505 1HG1 ILE 65 2HG1 ILE 65 6.460 -3.767 2.996 506 2HG1 ILE 65 1HG1 ILE 65 7.303 -2.510 3.892 507 1HG2 ILE 65 1HG2 ILE 65 9.271 -6.187 4.105 508 2HG2 ILE 65 2HG2 ILE 65 8.703 -5.499 2.587 509 3HG2 ILE 65 3HG2 ILE 65 7.613 -6.467 3.578 510 1HD1 ILE 65 1HD1 ILE 65 9.223 -3.762 2.260 511 2HD1 ILE 65 2HD1 ILE 65 8.562 -2.134 2.121 512 3HD1 ILE 65 3HD1 ILE 65 7.801 -3.471 1.258 513 H LYS 66 H LYS 66 7.255 -7.322 5.947 514 HA LYS 66 HA LYS 66 8.086 -6.904 8.681 515 1HB LYS 66 2HB LYS 66 6.551 -8.732 8.135 516 2HB LYS 66 1HB LYS 66 7.779 -9.456 7.106 517 1HG LYS 66 2HG LYS 66 9.229 -9.511 9.226 518 2HG LYS 66 1HG LYS 66 7.712 -9.246 10.090 519 1HD LYS 66 2HD LYS 66 6.883 -11.239 8.595 520 2HD LYS 66 1HD LYS 66 8.608 -11.603 8.496 521 1HE LYS 66 2HE LYS 66 8.347 -11.176 11.149 522 2HE LYS 66 1HE LYS 66 6.747 -11.816 10.772 523 1HZ LYS 66 1HZ LYS 66 9.330 -13.143 10.740 524 2HZ LYS 66 2HZ LYS 66 8.286 -13.548 9.473 525 3HZ LYS 66 3HZ LYS 66 7.793 -13.768 11.076 526 H ASN 67 H ASN 67 9.494 -8.409 5.823 527 HA ASN 67 HA ASN 67 12.153 -7.727 6.808 528 1HB ASN 67 2HB ASN 67 11.102 -10.360 6.878 529 2HB ASN 67 1HB ASN 67 12.291 -10.317 5.580 530 1HD2 ASN 67 1HD2 ASN 67 14.009 -11.297 6.407 531 2HD2 ASN 67 2HD2 ASN 67 14.796 -10.864 7.882 532 H LEU 68 H LEU 68 12.922 -6.466 5.265 533 HA LEU 68 HA LEU 68 12.036 -6.263 2.667 534 1HB LEU 68 2HB LEU 68 14.601 -5.520 4.016 535 2HB LEU 68 1HB LEU 68 14.398 -5.263 2.291 536 HG LEU 68 HG LEU 68 12.264 -4.231 4.067 537 1HD1 LEU 68 1HD1 LEU 68 14.241 -3.557 5.293 538 2HD1 LEU 68 2HD1 LEU 68 13.538 -2.163 4.478 539 3HD1 LEU 68 3HD1 LEU 68 14.976 -2.937 3.817 540 1HD2 LEU 68 1HD2 LEU 68 12.608 -4.128 1.453 541 2HD2 LEU 68 2HD2 LEU 68 13.558 -2.709 1.888 542 3HD2 LEU 68 3HD2 LEU 68 11.861 -2.806 2.349 543 H THR 69 H THR 69 12.779 -6.946 0.698 544 HA THR 69 HA THR 69 14.871 -8.942 0.522 545 HB THR 69 HB THR 69 13.217 -10.468 -0.762 546 HG1 THR 69 1HG THR 69 11.091 -10.301 -0.065 547 1HG2 THR 69 1HG2 THR 69 14.203 -11.184 1.318 548 2HG2 THR 69 2HG2 THR 69 12.495 -11.621 1.269 549 3HG2 THR 69 3HG2 THR 69 13.026 -10.239 2.229 550 H ARG 70 H ARG 70 15.334 -9.546 -1.733 551 HA ARG 70 HA ARG 70 15.659 -7.371 -3.402 552 1HB ARG 70 2HB ARG 70 15.407 -10.271 -4.225 553 2HB ARG 70 1HB ARG 70 16.113 -8.991 -5.201 554 1HG ARG 70 2HG ARG 70 17.179 -9.700 -2.489 555 2HG ARG 70 1HG ARG 70 17.713 -10.514 -3.960 556 1HD ARG 70 2HD ARG 70 17.714 -7.571 -4.060 557 2HD ARG 70 1HD ARG 70 18.872 -8.292 -2.944 558 HE ARG 70 HE ARG 70 18.957 -8.357 -5.816 559 1HH1 ARG 70 1HH1 ARG 70 19.993 -9.947 -2.886 560 2HH1 ARG 70 2HH1 ARG 70 21.366 -10.695 -3.629 561 1HH2 ARG 70 1HH2 ARG 70 20.763 -9.342 -6.794 562 2HH2 ARG 70 2HH2 ARG 70 21.804 -10.352 -5.848 563 H ASP 71 H ASP 71 13.200 -9.932 -3.799 564 HA ASP 71 HA ASP 71 11.861 -8.809 -5.948 565 1HB ASP 71 2HB ASP 71 9.914 -10.194 -5.053 566 2HB ASP 71 1HB ASP 71 11.393 -11.058 -5.430 567 H ASP 72 H ASP 72 11.879 -7.841 -2.637 568 HA ASP 72 HA ASP 72 9.342 -6.461 -2.789 569 1HB ASP 72 2HB ASP 72 10.851 -7.454 -0.702 570 2HB ASP 72 1HB ASP 72 11.090 -5.713 -0.567 571 H SER 73 H SER 73 12.570 -5.776 -3.644 572 HA SER 73 HA SER 73 12.369 -2.916 -3.272 573 1HB SER 73 2HB SER 73 14.531 -4.278 -3.148 574 2HB SER 73 1HB SER 73 14.452 -4.366 -4.909 575 HG SER 73 HG SER 73 14.433 -1.950 -3.420 576 H GLY 74 H GLY 74 11.745 -1.434 -4.769 577 1HA GLY 74 2HA GLY 74 11.939 -1.270 -7.393 578 2HA GLY 74 1HA GLY 74 10.657 -2.466 -7.254 579 H THR 75 H THR 75 9.527 -0.763 -8.473 580 HA THR 75 HA THR 75 8.668 1.591 -6.965 581 HB THR 75 HB THR 75 7.457 0.844 -9.579 582 HG1 THR 75 1HG THR 75 9.253 0.928 -10.664 583 1HG2 THR 75 1HG2 THR 75 7.508 3.112 -10.042 584 2HG2 THR 75 2HG2 THR 75 8.775 3.421 -8.858 585 3HG2 THR 75 3HG2 THR 75 7.140 3.044 -8.319 586 H TYR 76 H TYR 76 6.873 1.685 -5.794 587 HA TYR 76 HA TYR 76 4.883 -0.466 -6.066 588 1HB TYR 76 2HB TYR 76 5.703 1.265 -3.745 589 2HB TYR 76 1HB TYR 76 4.151 0.438 -3.753 590 HD1 TYR 76 1HD TYR 76 4.026 -1.694 -2.856 591 HD2 TYR 76 2HD TYR 76 7.784 -0.269 -4.254 592 HE1 TYR 76 1HE TYR 76 5.111 -3.734 -2.007 593 HE2 TYR 76 2HE TYR 76 8.869 -2.307 -3.409 594 HH TYR 76 HH TYR 76 8.472 -4.446 -2.659 595 H ASN 77 H ASN 77 2.900 0.019 -6.800 596 HA ASN 77 HA ASN 77 2.194 2.865 -7.047 597 1HB ASN 77 2HB ASN 77 1.562 0.473 -8.759 598 2HB ASN 77 1HB ASN 77 0.623 1.955 -8.869 599 1HD2 ASN 77 1HD2 ASN 77 3.882 0.650 -9.112 600 2HD2 ASN 77 2HD2 ASN 77 4.464 1.825 -10.235 601 H VAL 78 H VAL 78 0.440 3.611 -6.030 602 HA VAL 78 HA VAL 78 -1.413 1.639 -4.867 603 HB VAL 78 HB VAL 78 -1.527 4.385 -3.796 604 1HG1 VAL 78 1HG1 VAL 78 -2.466 1.874 -3.113 605 2HG1 VAL 78 2HG1 VAL 78 -2.551 3.332 -2.131 606 3HG1 VAL 78 3HG1 VAL 78 -1.211 2.203 -1.920 607 1HG2 VAL 78 1HG2 VAL 78 0.976 2.796 -3.661 608 2HG2 VAL 78 2HG2 VAL 78 0.419 3.554 -2.166 609 3HG2 VAL 78 3HG2 VAL 78 0.730 4.542 -3.595 610 H THR 79 H THR 79 -3.494 1.694 -5.433 611 HA THR 79 HA THR 79 -4.451 4.005 -6.989 612 HB THR 79 HB THR 79 -6.028 1.595 -7.359 613 HG1 THR 79 1HG THR 79 -3.261 1.466 -7.950 614 1HG2 THR 79 1HG2 THR 79 -5.471 3.800 -8.836 615 2HG2 THR 79 2HG2 THR 79 -6.197 2.319 -9.459 616 3HG2 THR 79 3HG2 THR 79 -4.460 2.584 -9.615 617 H VAL 80 H VAL 80 -5.440 5.185 -5.442 618 HA VAL 80 HA VAL 80 -7.189 3.884 -3.508 619 HB VAL 80 HB VAL 80 -6.324 6.767 -3.795 620 1HG1 VAL 80 1HG1 VAL 80 -7.365 7.186 -1.653 621 2HG1 VAL 80 2HG1 VAL 80 -7.920 5.511 -1.566 622 3HG1 VAL 80 3HG1 VAL 80 -8.569 6.593 -2.799 623 1HG2 VAL 80 1HG2 VAL 80 -4.875 4.649 -2.855 624 2HG2 VAL 80 2HG2 VAL 80 -5.607 5.277 -1.379 625 3HG2 VAL 80 3HG2 VAL 80 -4.627 6.333 -2.395 626 H TYR 81 H TYR 81 -9.335 3.814 -3.653 627 HA TYR 81 HA TYR 81 -10.668 5.590 -5.581 628 1HB TYR 81 2HB TYR 81 -11.296 2.717 -4.982 629 2HB TYR 81 1HB TYR 81 -12.307 3.761 -5.942 630 HD1 TYR 81 1HD TYR 81 -9.348 1.684 -5.906 631 HD2 TYR 81 2HD TYR 81 -11.485 4.604 -8.140 632 HE1 TYR 81 1HE TYR 81 -8.073 1.068 -7.915 633 HE2 TYR 81 2HE TYR 81 -10.213 3.998 -10.157 634 HH TYR 81 HH TYR 81 -8.032 2.952 -10.714 635 H SER 82 H SER 82 -12.790 6.156 -5.123 636 HA SER 82 HA SER 82 -13.341 6.448 -2.288 637 1HB SER 82 2HB SER 82 -15.383 7.674 -3.805 638 2HB SER 82 1HB SER 82 -14.054 8.450 -2.943 639 HG SER 82 HG SER 82 -14.097 7.575 -5.640 640 H THR 83 H THR 83 -15.792 6.432 -1.749 641 HA THR 83 HA THR 83 -16.684 3.775 -1.868 642 HB THR 83 HB THR 83 -18.933 4.962 -1.146 643 HG1 THR 83 1HG THR 83 -18.668 7.014 -0.466 644 1HG2 THR 83 1HG2 THR 83 -17.390 3.696 0.350 645 2HG2 THR 83 2HG2 THR 83 -18.229 5.044 1.117 646 3HG2 THR 83 3HG2 THR 83 -16.537 5.210 0.648 647 H ASN 84 H ASN 84 -17.102 6.400 -4.065 648 HA ASN 84 HA ASN 84 -19.333 5.080 -5.415 649 1HB ASN 84 2HB ASN 84 -18.909 7.703 -4.959 650 2HB ASN 84 1HB ASN 84 -18.159 7.557 -6.546 651 1HD2 ASN 84 1HD2 ASN 84 -21.123 6.865 -4.762 652 2HD2 ASN 84 2HD2 ASN 84 -22.188 7.044 -6.111 653 H GLY 85 H GLY 85 -16.558 3.999 -5.392 654 1HA GLY 85 2HA GLY 85 -15.080 3.022 -6.851 655 2HA GLY 85 1HA GLY 85 -16.424 3.012 -7.982 656 H THR 86 H THR 86 -15.210 6.020 -6.729 657 HA THR 86 HA THR 86 -14.355 6.750 -9.424 658 HB THR 86 HB THR 86 -14.255 8.751 -7.242 659 HG1 THR 86 1HG THR 86 -16.246 8.546 -6.667 660 1HG2 THR 86 1HG2 THR 86 -15.785 9.869 -9.088 661 2HG2 THR 86 2HG2 THR 86 -14.987 8.669 -10.107 662 3HG2 THR 86 3HG2 THR 86 -14.025 9.844 -9.209 663 H ARG 87 H ARG 87 -12.342 7.857 -9.784 664 HA ARG 87 HA ARG 87 -10.172 6.642 -8.339 665 1HB ARG 87 2HB ARG 87 -9.695 8.819 -10.322 666 2HB ARG 87 1HB ARG 87 -8.804 7.327 -10.062 667 1HG ARG 87 2HG ARG 87 -9.797 6.586 -11.906 668 2HG ARG 87 1HG ARG 87 -11.257 6.434 -10.926 669 1HD ARG 87 2HD ARG 87 -11.596 7.681 -13.050 670 2HD ARG 87 1HD ARG 87 -12.015 8.602 -11.607 671 HE ARG 87 HE ARG 87 -10.366 10.093 -12.131 672 1HH1 ARG 87 1HH1 ARG 87 -9.817 7.151 -13.926 673 2HH1 ARG 87 2HH1 ARG 87 -8.525 7.817 -14.865 674 1HH2 ARG 87 1HH2 ARG 87 -8.666 10.972 -13.367 675 2HH2 ARG 87 2HH2 ARG 87 -7.871 9.986 -14.549 676 H ILE 88 H ILE 88 -9.387 7.427 -6.505 677 HA ILE 88 HA ILE 88 -9.794 10.243 -5.853 678 HB ILE 88 HB ILE 88 -8.705 8.025 -4.119 679 1HG1 ILE 88 2HG1 ILE 88 -11.471 9.236 -4.307 680 2HG1 ILE 88 1HG1 ILE 88 -11.018 7.580 -4.699 681 1HG2 ILE 88 1HG2 ILE 88 -9.847 10.247 -2.701 682 2HG2 ILE 88 2HG2 ILE 88 -8.576 10.806 -3.789 683 3HG2 ILE 88 3HG2 ILE 88 -8.227 9.562 -2.589 684 1HD1 ILE 88 1HD1 ILE 88 -10.609 8.671 -1.945 685 2HD1 ILE 88 2HD1 ILE 88 -10.761 6.996 -2.468 686 3HD1 ILE 88 3HD1 ILE 88 -12.174 8.049 -2.460 687 H LEU 89 H LEU 89 -7.071 8.002 -5.270 688 HA LEU 89 HA LEU 89 -5.258 9.990 -6.416 689 1HB LEU 89 2HB LEU 89 -5.180 10.628 -4.154 690 2HB LEU 89 1HB LEU 89 -5.194 8.968 -3.594 691 HG LEU 89 HG LEU 89 -2.859 9.782 -5.230 692 1HD1 LEU 89 1HD1 LEU 89 -3.415 10.859 -2.480 693 2HD1 LEU 89 2HD1 LEU 89 -2.962 11.749 -3.934 694 3HD1 LEU 89 3HD1 LEU 89 -1.785 10.707 -3.135 695 1HD2 LEU 89 1HD2 LEU 89 -2.228 7.801 -4.439 696 2HD2 LEU 89 2HD2 LEU 89 -3.597 7.742 -3.331 697 3HD2 LEU 89 3HD2 LEU 89 -2.102 8.540 -2.845 698 H ASN 90 H ASN 90 -3.795 9.106 -7.671 699 HA ASN 90 HA ASN 90 -3.136 6.253 -7.334 700 1HB ASN 90 2HB ASN 90 -4.238 7.479 -9.570 701 2HB ASN 90 1HB ASN 90 -2.522 7.399 -9.957 702 1HD2 ASN 90 1HD2 ASN 90 -1.888 5.042 -8.595 703 2HD2 ASN 90 2HD2 ASN 90 -2.654 3.722 -9.405 704 H LYS 91 H LYS 91 -1.227 6.201 -6.296 705 HA LYS 91 HA LYS 91 0.850 8.104 -7.185 706 1HB LYS 91 2HB LYS 91 0.455 6.878 -4.456 707 2HB LYS 91 1HB LYS 91 1.819 7.885 -4.911 708 1HG LYS 91 2HG LYS 91 -0.896 8.984 -5.344 709 2HG LYS 91 1HG LYS 91 -0.318 8.846 -3.682 710 1HD LYS 91 2HD LYS 91 0.523 10.905 -4.139 711 2HD LYS 91 1HD LYS 91 1.850 9.946 -4.797 712 1HE LYS 91 2HE LYS 91 1.247 10.358 -6.975 713 2HE LYS 91 1HE LYS 91 -0.448 10.620 -6.568 714 1HZ LYS 91 1HZ LYS 91 0.270 12.737 -7.025 715 2HZ LYS 91 2HZ LYS 91 1.815 12.488 -6.382 716 3HZ LYS 91 3HZ LYS 91 0.492 12.688 -5.348 717 H ALA 92 H ALA 92 3.070 7.423 -6.901 718 HA ALA 92 HA ALA 92 3.562 4.548 -6.949 719 1HB ALA 92 1HB ALA 92 5.006 4.825 -8.974 720 2HB ALA 92 2HB ALA 92 4.310 6.433 -9.176 721 3HB ALA 92 3HB ALA 92 3.278 5.007 -9.276 722 H LEU 93 H LEU 93 5.170 4.180 -5.563 723 HA LEU 93 HA LEU 93 7.162 6.311 -5.132 724 1HB LEU 93 2HB LEU 93 6.669 4.141 -3.137 725 2HB LEU 93 1HB LEU 93 7.297 5.758 -2.884 726 HG LEU 93 HG LEU 93 4.931 6.568 -3.499 727 1HD1 LEU 93 1HD1 LEU 93 4.567 3.635 -3.366 728 2HD1 LEU 93 2HD1 LEU 93 3.706 4.846 -4.317 729 3HD1 LEU 93 3HD1 LEU 93 3.327 4.634 -2.607 730 1HD2 LEU 93 1HD2 LEU 93 5.700 6.840 -1.284 731 2HD2 LEU 93 2HD2 LEU 93 5.614 5.108 -0.961 732 3HD2 LEU 93 3HD2 LEU 93 4.132 6.043 -1.156 733 H ASP 94 H ASP 94 9.338 5.642 -4.599 734 HA ASP 94 HA ASP 94 10.060 3.138 -5.959 735 1HB ASP 94 2HB ASP 94 11.583 5.711 -5.548 736 2HB ASP 94 1HB ASP 94 12.362 4.229 -6.088 737 H LEU 95 H LEU 95 10.537 1.523 -4.633 738 HA LEU 95 HA LEU 95 11.550 2.130 -1.944 739 1HB LEU 95 2HB LEU 95 9.566 0.711 -1.998 740 2HB LEU 95 1HB LEU 95 10.374 -0.430 -3.053 741 HG LEU 95 HG LEU 95 11.901 -1.073 -1.305 742 1HD1 LEU 95 1HD1 LEU 95 10.534 1.078 0.284 743 2HD1 LEU 95 2HD1 LEU 95 12.250 0.937 -0.110 744 3HD1 LEU 95 3HD1 LEU 95 11.503 -0.197 1.016 745 1HD2 LEU 95 1HD2 LEU 95 9.529 -2.007 -1.490 746 2HD2 LEU 95 2HD2 LEU 95 9.177 -1.047 -0.054 747 3HD2 LEU 95 3HD2 LEU 95 10.414 -2.304 0.006 748 H ARG 96 H ARG 96 13.745 2.371 -2.169 749 HA ARG 96 HA ARG 96 15.234 0.263 -3.554 750 1HB ARG 96 2HB ARG 96 16.834 2.490 -2.536 751 2HB ARG 96 1HB ARG 96 16.734 1.803 -4.141 752 1HG ARG 96 2HG ARG 96 14.742 3.753 -3.032 753 2HG ARG 96 1HG ARG 96 16.102 4.180 -4.065 754 1HD ARG 96 2HD ARG 96 13.685 2.530 -4.737 755 2HD ARG 96 1HD ARG 96 14.249 4.013 -5.506 756 HE ARG 96 HE ARG 96 16.279 2.321 -5.979 757 1HH1 ARG 96 1HH1 ARG 96 12.831 2.013 -6.431 758 2HH1 ARG 96 2HH1 ARG 96 12.979 0.933 -7.777 759 1HH2 ARG 96 1HH2 ARG 96 16.474 0.904 -7.750 760 2HH2 ARG 96 2HH2 ARG 96 15.046 0.303 -8.525 761 H ILE 97 H ILE 97 16.212 -1.274 -2.430 762 HA ILE 97 HA ILE 97 16.810 -0.765 0.410 763 HB ILE 97 HB ILE 97 16.293 -3.532 -0.556 764 1HG1 ILE 97 2HG1 ILE 97 14.382 -2.407 -1.473 765 2HG1 ILE 97 1HG1 ILE 97 13.862 -3.218 -0.001 766 1HG2 ILE 97 1HG2 ILE 97 17.100 -2.874 1.763 767 2HG2 ILE 97 2HG2 ILE 97 15.703 -3.947 1.681 768 3HG2 ILE 97 3HG2 ILE 97 15.478 -2.233 2.026 769 1HD1 ILE 97 1HD1 ILE 97 13.039 -1.300 0.713 770 2HD1 ILE 97 2HD1 ILE 97 13.676 -0.465 -0.702 771 3HD1 ILE 97 3HD1 ILE 97 14.669 -0.630 0.744 772 H LEU 98 H LEU 98 18.867 -1.015 0.998 773 HA LEU 98 HA LEU 98 20.808 -1.994 -0.857 774 1HB LEU 98 2HB LEU 98 20.757 -0.564 1.743 775 2HB LEU 98 1HB LEU 98 22.197 -1.460 1.345 776 HG LEU 98 HG LEU 98 20.988 0.734 -0.320 777 1HD1 LEU 98 1HD1 LEU 98 23.356 1.709 0.338 778 2HD1 LEU 98 2HD1 LEU 98 23.123 0.668 1.743 779 3HD1 LEU 98 3HD1 LEU 98 21.944 1.925 1.371 780 1HD2 LEU 98 1HD2 LEU 98 23.284 0.543 -1.460 781 2HD2 LEU 98 2HD2 LEU 98 22.056 -0.663 -1.849 782 3HD2 LEU 98 3HD2 LEU 98 23.356 -1.059 -0.725 783 H GLU 99 H GLU 99 22.539 -3.428 0.043 784 HA GLU 99 HA GLU 99 21.292 -5.714 1.403 785 1HB GLU 99 2HB GLU 99 23.601 -5.517 -0.522 786 2HB GLU 99 1HB GLU 99 23.303 -6.965 0.430 787 1HG GLU 99 2HG GLU 99 20.851 -6.513 -0.654 788 2HG GLU 99 1HG GLU 99 21.920 -5.944 -1.935 Start of MODEL 7 1 1H ARG 1 1H ARG 1 -0.345 13.978 -5.021 2 2H ARG 1 2H ARG 1 0.333 14.991 -3.812 3 3H ARG 1 3H ARG 1 0.807 13.346 -3.921 4 HA ARG 1 HA ARG 1 1.780 13.737 -6.047 5 1HB ARG 1 2HB ARG 1 0.436 16.349 -5.610 6 2HB ARG 1 1HB ARG 1 2.002 16.396 -6.409 7 1HG ARG 1 2HG ARG 1 0.842 14.446 -7.831 8 2HG ARG 1 1HG ARG 1 -0.590 15.366 -7.369 9 1HD ARG 1 2HD ARG 1 1.578 17.083 -8.251 10 2HD ARG 1 1HD ARG 1 1.117 15.910 -9.484 11 HE ARG 1 HE ARG 1 -0.887 16.996 -9.735 12 1HH1 ARG 1 1HH1 ARG 1 0.684 18.147 -6.838 13 2HH1 ARG 1 2HH1 ARG 1 -0.436 19.445 -6.597 14 1HH2 ARG 1 1HH2 ARG 1 -2.360 18.703 -9.419 15 2HH2 ARG 1 2HH2 ARG 1 -2.165 19.760 -8.061 16 H ASP 2 H ASP 2 2.788 13.132 -3.664 17 HA ASP 2 HA ASP 2 5.104 14.915 -3.454 18 1HB ASP 2 2HB ASP 2 3.126 14.907 -1.533 19 2HB ASP 2 1HB ASP 2 4.306 13.778 -0.875 20 H SER 3 H SER 3 4.625 12.291 -4.704 21 HA SER 3 HA SER 3 5.688 10.198 -3.169 22 1HB SER 3 2HB SER 3 4.771 10.535 -5.808 23 2HB SER 3 1HB SER 3 6.425 9.940 -5.952 24 HG SER 3 HG SER 3 5.793 8.068 -5.237 25 H GLY 4 H GLY 4 7.802 9.173 -3.371 26 1HA GLY 4 2HA GLY 4 9.991 10.723 -4.431 27 2HA GLY 4 1HA GLY 4 9.922 10.719 -2.676 28 H THR 5 H THR 5 11.889 9.649 -2.512 29 HA THR 5 HA THR 5 11.844 6.804 -3.311 30 HB THR 5 HB THR 5 14.321 8.484 -2.895 31 HG1 THR 5 1HG THR 5 14.235 9.088 -4.915 32 1HG2 THR 5 1HG2 THR 5 15.214 6.431 -2.928 33 2HG2 THR 5 2HG2 THR 5 14.999 6.594 -4.672 34 3HG2 THR 5 3HG2 THR 5 13.806 5.715 -3.714 35 H VAL 6 H VAL 6 12.694 5.302 -1.908 36 HA VAL 6 HA VAL 6 13.086 6.214 0.860 37 HB VAL 6 HB VAL 6 10.825 5.025 0.167 38 1HG1 VAL 6 1HG1 VAL 6 10.812 2.766 0.093 39 2HG1 VAL 6 2HG1 VAL 6 12.375 2.622 0.901 40 3HG1 VAL 6 3HG1 VAL 6 12.291 3.176 -0.773 41 1HG2 VAL 6 1HG2 VAL 6 12.448 4.505 2.648 42 2HG2 VAL 6 2HG2 VAL 6 10.787 3.942 2.468 43 3HG2 VAL 6 3HG2 VAL 6 11.141 5.669 2.424 44 H TRP 7 H TRP 7 14.535 5.025 2.114 45 HA TRP 7 HA TRP 7 16.136 3.041 0.641 46 1HB TRP 7 2HB TRP 7 17.092 5.070 2.672 47 2HB TRP 7 1HB TRP 7 18.095 3.817 1.944 48 HD1 TRP 7 HD TRP 7 16.300 7.095 1.062 49 HE1 TRP 7 1HE TRP 7 17.319 8.023 -1.111 50 HE3 TRP 7 3HE TRP 7 19.347 3.171 -0.149 51 HZ2 TRP 7 2HZ TRP 7 19.169 7.203 -3.079 52 HZ3 TRP 7 3HZ TRP 7 20.707 3.323 -2.193 53 HH2 TRP 7 HH TRP 7 20.620 5.297 -3.627 54 H GLY 8 H GLY 8 16.376 1.105 1.557 55 1HA GLY 8 2HA GLY 8 15.928 0.834 4.454 56 2HA GLY 8 1HA GLY 8 14.900 -0.107 3.390 57 H ALA 9 H ALA 9 16.092 -1.711 4.968 58 HA ALA 9 HA ALA 9 18.417 -2.729 3.471 59 1HB ALA 9 1HB ALA 9 19.430 -3.475 5.567 60 2HB ALA 9 2HB ALA 9 18.127 -2.702 6.469 61 3HB ALA 9 3HB ALA 9 19.243 -1.722 5.516 62 H LEU 10 H LEU 10 18.385 -4.817 2.967 63 HA LEU 10 HA LEU 10 16.061 -6.343 3.062 64 1HB LEU 10 2HB LEU 10 18.148 -6.640 1.614 65 2HB LEU 10 1HB LEU 10 18.844 -7.498 2.973 66 HG LEU 10 HG LEU 10 16.359 -8.726 2.522 67 1HD1 LEU 10 1HD1 LEU 10 16.700 -9.438 0.127 68 2HD1 LEU 10 2HD1 LEU 10 17.797 -8.064 -0.030 69 3HD1 LEU 10 3HD1 LEU 10 16.100 -7.797 0.370 70 1HD2 LEU 10 1HD2 LEU 10 19.050 -9.680 1.580 71 2HD2 LEU 10 2HD2 LEU 10 17.666 -10.653 2.079 72 3HD2 LEU 10 3HD2 LEU 10 18.547 -9.696 3.269 73 H GLY 11 H GLY 11 15.142 -7.649 4.515 74 1HA GLY 11 2HA GLY 11 15.080 -9.157 6.317 75 2HA GLY 11 1HA GLY 11 16.720 -8.688 6.739 76 H HIS 12 H HIS 12 15.455 -5.786 6.312 77 HA HIS 12 HA HIS 12 14.567 -5.601 9.102 78 1HB HIS 12 2HB HIS 12 16.318 -4.148 9.089 79 2HB HIS 12 1HB HIS 12 16.262 -3.939 7.343 80 HD1 HIS 12 1HD HIS 12 14.870 -2.036 6.424 81 HD2 HIS 12 2HD HIS 12 14.861 -2.253 10.566 82 HE1 HIS 12 1HE HIS 12 13.959 0.182 7.209 83 HE2 HIS 12 2HE HIS 12 14.047 0.057 9.727 84 H GLY 13 H GLY 13 12.989 -3.714 9.460 85 1HA GLY 13 2HA GLY 13 10.676 -4.220 7.843 86 2HA GLY 13 1HA GLY 13 10.786 -3.076 9.174 87 H ILE 14 H ILE 14 9.356 -1.891 7.613 88 HA ILE 14 HA ILE 14 10.411 0.400 6.674 89 HB ILE 14 HB ILE 14 11.826 -0.890 5.126 90 1HG1 ILE 14 2HG1 ILE 14 10.598 0.237 2.951 91 2HG1 ILE 14 1HG1 ILE 14 9.917 1.164 4.283 92 1HG2 ILE 14 1HG2 ILE 14 10.660 -2.811 4.587 93 2HG2 ILE 14 2HG2 ILE 14 10.588 -1.873 3.095 94 3HG2 ILE 14 3HG2 ILE 14 9.196 -1.922 4.174 95 1HD1 ILE 14 1HD1 ILE 14 12.852 0.733 4.242 96 2HD1 ILE 14 2HD1 ILE 14 11.912 2.110 4.826 97 3HD1 ILE 14 3HD1 ILE 14 12.152 1.878 3.094 98 H ASP 15 H ASP 15 8.783 1.752 6.041 99 HA ASP 15 HA ASP 15 6.206 0.481 5.380 100 1HB ASP 15 2HB ASP 15 6.681 1.797 7.675 101 2HB ASP 15 1HB ASP 15 6.202 3.155 6.663 102 H LEU 16 H LEU 16 5.357 1.012 3.497 103 HA LEU 16 HA LEU 16 6.512 3.126 1.892 104 1HB LEU 16 2HB LEU 16 4.952 0.737 1.455 105 2HB LEU 16 1HB LEU 16 4.179 2.087 0.662 106 HG LEU 16 HG LEU 16 5.568 1.925 -1.066 107 1HD1 LEU 16 1HD1 LEU 16 7.880 1.950 0.865 108 2HD1 LEU 16 2HD1 LEU 16 7.199 3.338 0.009 109 3HD1 LEU 16 3HD1 LEU 16 8.011 2.059 -0.890 110 1HD2 LEU 16 1HD2 LEU 16 7.098 -0.053 -1.182 111 2HD2 LEU 16 2HD2 LEU 16 5.419 -0.420 -0.786 112 3HD2 LEU 16 3HD2 LEU 16 6.644 -0.412 0.484 113 H ASP 17 H ASP 17 5.910 5.156 2.445 114 HA ASP 17 HA ASP 17 3.203 5.648 3.383 115 1HB ASP 17 2HB ASP 17 5.596 7.475 3.157 116 2HB ASP 17 1HB ASP 17 4.029 7.955 3.803 117 H ILE 18 H ILE 18 1.620 6.300 2.161 118 HA ILE 18 HA ILE 18 2.005 7.018 -0.599 119 HB ILE 18 HB ILE 18 -0.504 6.960 1.073 120 1HG1 ILE 18 2HG1 ILE 18 0.971 4.891 -0.489 121 2HG1 ILE 18 1HG1 ILE 18 0.173 4.744 1.064 122 1HG2 ILE 18 1HG2 ILE 18 -0.340 6.827 -1.923 123 2HG2 ILE 18 2HG2 ILE 18 -0.540 8.347 -1.052 124 3HG2 ILE 18 3HG2 ILE 18 -1.760 7.083 -0.911 125 1HD1 ILE 18 1HD1 ILE 18 -1.077 4.764 -1.648 126 2HD1 ILE 18 2HD1 ILE 18 -2.009 5.009 -0.168 127 3HD1 ILE 18 3HD1 ILE 18 -1.128 3.502 -0.416 128 HA PRO 19 HA PRO 19 2.413 11.402 0.344 129 1HB PRO 19 2HB PRO 19 1.873 11.650 -2.563 130 2HB PRO 19 1HB PRO 19 3.214 12.289 -1.607 131 1HG PRO 19 2HG PRO 19 3.579 10.215 -3.233 132 2HG PRO 19 1HG PRO 19 4.375 10.278 -1.649 133 1HD PRO 19 2HD PRO 19 1.958 8.732 -2.497 134 2HD PRO 19 1HD PRO 19 3.301 8.233 -1.451 135 H ASN 20 H ASN 20 0.928 12.756 1.038 136 HA ASN 20 HA ASN 20 -1.139 13.589 1.551 137 1HB ASN 20 2HB ASN 20 -0.709 13.975 -1.367 138 2HB ASN 20 1HB ASN 20 -2.281 14.405 -0.701 139 1HD2 ASN 20 1HD2 ASN 20 1.109 14.732 0.308 140 2HD2 ASN 20 2HD2 ASN 20 1.007 16.411 0.699 141 H PHE 21 H PHE 21 -1.741 11.193 2.092 142 HA PHE 21 HA PHE 21 -4.291 10.686 0.785 143 1HB PHE 21 2HB PHE 21 -3.084 9.101 -0.374 144 2HB PHE 21 1HB PHE 21 -1.975 8.809 0.957 145 HD1 PHE 21 1HD PHE 21 -5.572 8.406 0.098 146 HD2 PHE 21 2HD PHE 21 -2.173 6.859 2.107 147 HE1 PHE 21 1HE PHE 21 -6.870 6.410 0.744 148 HE2 PHE 21 2HE PHE 21 -3.448 4.854 2.754 149 HZ PHE 21 HZ PHE 21 -5.805 4.629 2.069 150 H GLN 22 H GLN 22 -5.820 9.647 2.109 151 HA GLN 22 HA GLN 22 -5.050 9.092 4.874 152 1HB GLN 22 2HB GLN 22 -6.885 11.247 3.958 153 2HB GLN 22 1HB GLN 22 -7.342 10.351 5.401 154 1HG GLN 22 2HG GLN 22 -5.027 10.877 6.286 155 2HG GLN 22 1HG GLN 22 -4.888 12.016 4.947 156 1HE2 GLN 22 1HE2 GLN 22 -5.313 12.036 8.056 157 2HE2 GLN 22 2HE2 GLN 22 -6.462 13.310 8.257 158 H MET 23 H MET 23 -5.758 7.125 5.327 159 HA MET 23 HA MET 23 -7.807 5.855 3.773 160 1HB MET 23 2HB MET 23 -5.811 4.668 4.701 161 2HB MET 23 1HB MET 23 -6.492 4.868 6.309 162 1HG MET 23 2HG MET 23 -8.305 3.648 4.359 163 2HG MET 23 1HG MET 23 -6.860 2.704 4.721 164 1HE MET 23 1HE MET 23 -10.254 2.620 5.320 165 2HE MET 23 2HE MET 23 -10.233 4.182 6.139 166 3HE MET 23 3HE MET 23 -10.615 2.718 7.044 167 H THR 24 H THR 24 -9.565 7.322 4.227 168 HA THR 24 HA THR 24 -10.741 6.972 6.903 169 HB THR 24 HB THR 24 -12.220 8.961 5.855 170 HG1 THR 24 1HG THR 24 -10.879 10.304 4.643 171 1HG2 THR 24 1HG2 THR 24 -10.746 8.936 7.949 172 2HG2 THR 24 2HG2 THR 24 -11.057 10.483 7.160 173 3HG2 THR 24 3HG2 THR 24 -9.515 9.663 6.916 174 H ASP 25 H ASP 25 -13.320 7.465 6.564 175 HA ASP 25 HA ASP 25 -14.374 5.101 5.522 176 1HB ASP 25 2HB ASP 25 -15.897 7.685 5.894 177 2HB ASP 25 1HB ASP 25 -16.548 6.049 5.929 178 H ASP 26 H ASP 26 -13.871 8.233 4.042 179 HA ASP 26 HA ASP 26 -15.490 7.940 1.780 180 1HB ASP 26 2HB ASP 26 -13.009 9.532 2.357 181 2HB ASP 26 1HB ASP 26 -13.705 9.524 0.738 182 H ILE 27 H ILE 27 -12.409 6.552 2.579 183 HA ILE 27 HA ILE 27 -11.738 5.803 -0.101 184 HB ILE 27 HB ILE 27 -10.605 4.955 2.566 185 1HG1 ILE 27 2HG1 ILE 27 -10.141 7.264 2.212 186 2HG1 ILE 27 1HG1 ILE 27 -8.687 6.404 1.760 187 1HG2 ILE 27 1HG2 ILE 27 -9.509 4.436 -0.194 188 2HG2 ILE 27 2HG2 ILE 27 -10.206 3.229 0.887 189 3HG2 ILE 27 3HG2 ILE 27 -8.712 4.051 1.330 190 1HD1 ILE 27 1HD1 ILE 27 -9.753 6.511 -0.636 191 2HD1 ILE 27 2HD1 ILE 27 -8.854 7.874 0.030 192 3HD1 ILE 27 3HD1 ILE 27 -10.618 7.879 0.063 193 H ASP 28 H ASP 28 -12.419 3.936 -1.163 194 HA ASP 28 HA ASP 28 -13.853 1.945 0.443 195 1HB ASP 28 2HB ASP 28 -14.826 3.379 -1.635 196 2HB ASP 28 1HB ASP 28 -14.220 1.964 -2.488 197 H GLU 29 H GLU 29 -11.598 2.293 -2.327 198 HA GLU 29 HA GLU 29 -10.729 -0.463 -1.712 199 1HB GLU 29 2HB GLU 29 -12.116 -0.511 -3.711 200 2HB GLU 29 1HB GLU 29 -11.117 0.723 -4.459 201 1HG GLU 29 2HG GLU 29 -9.209 -0.825 -4.426 202 2HG GLU 29 1HG GLU 29 -10.252 -2.064 -3.730 203 H VAL 30 H VAL 30 -8.676 -0.489 -1.081 204 HA VAL 30 HA VAL 30 -6.799 1.471 -2.245 205 HB VAL 30 HB VAL 30 -6.260 -0.012 0.323 206 1HG1 VAL 30 1HG1 VAL 30 -4.298 0.978 -0.161 207 2HG1 VAL 30 2HG1 VAL 30 -5.079 2.392 0.548 208 3HG1 VAL 30 3HG1 VAL 30 -5.041 2.193 -1.203 209 1HG2 VAL 30 1HG2 VAL 30 -8.048 1.041 1.202 210 2HG2 VAL 30 2HG2 VAL 30 -8.147 2.201 -0.123 211 3HG2 VAL 30 3HG2 VAL 30 -6.991 2.452 1.185 212 H ARG 31 H ARG 31 -5.574 0.538 -3.784 213 HA ARG 31 HA ARG 31 -4.846 -2.294 -3.436 214 1HB ARG 31 2HB ARG 31 -4.530 -1.015 -6.094 215 2HB ARG 31 1HB ARG 31 -5.029 -2.647 -5.680 216 1HG ARG 31 2HG ARG 31 -7.242 -1.906 -5.144 217 2HG ARG 31 1HG ARG 31 -6.769 -0.217 -5.330 218 1HD ARG 31 2HD ARG 31 -8.024 -1.238 -7.270 219 2HD ARG 31 1HD ARG 31 -6.497 -0.451 -7.664 220 HE ARG 31 HE ARG 31 -6.247 -3.272 -7.187 221 1HH1 ARG 31 1HH1 ARG 31 -6.966 -0.832 -9.576 222 2HH1 ARG 31 2HH1 ARG 31 -6.526 -1.837 -10.915 223 1HH2 ARG 31 1HH2 ARG 31 -5.668 -4.595 -8.948 224 2HH2 ARG 31 2HH2 ARG 31 -5.790 -3.973 -10.560 225 H TRP 32 H TRP 32 -2.806 -2.906 -3.327 226 HA TRP 32 HA TRP 32 -0.692 -0.905 -3.784 227 1HB TRP 32 2HB TRP 32 -0.929 -3.149 -1.785 228 2HB TRP 32 1HB TRP 32 0.640 -2.494 -2.229 229 HD1 TRP 32 HD TRP 32 -2.559 -1.573 -0.326 230 HE1 TRP 32 1HE TRP 32 -2.066 0.480 1.146 231 HE3 TRP 32 3HE TRP 32 2.115 -0.442 -2.050 232 HZ2 TRP 32 2HZ TRP 32 0.029 2.338 1.524 233 HZ3 TRP 32 3HZ TRP 32 3.294 1.493 -1.088 234 HH2 TRP 32 HH TRP 32 2.271 2.851 0.663 235 H GLU 33 H GLU 33 -0.532 -1.454 -6.003 236 HA GLU 33 HA GLU 33 0.264 -4.218 -6.578 237 1HB GLU 33 2HB GLU 33 -0.546 -2.009 -8.472 238 2HB GLU 33 1HB GLU 33 -0.165 -3.662 -8.931 239 1HG GLU 33 2HG GLU 33 -2.093 -4.512 -7.932 240 2HG GLU 33 1HG GLU 33 -2.344 -3.056 -6.971 241 H ARG 34 H ARG 34 2.077 -4.740 -7.738 242 HA ARG 34 HA ARG 34 4.048 -2.646 -8.268 243 1HB ARG 34 2HB ARG 34 4.282 -3.993 -5.968 244 2HB ARG 34 1HB ARG 34 5.051 -5.163 -7.031 245 1HG ARG 34 2HG ARG 34 6.221 -2.778 -7.762 246 2HG ARG 34 1HG ARG 34 6.044 -2.634 -6.013 247 1HD ARG 34 2HD ARG 34 8.089 -3.670 -6.166 248 2HD ARG 34 1HD ARG 34 7.016 -5.059 -6.010 249 HE ARG 34 HE ARG 34 7.194 -4.740 -8.681 250 1HH1 ARG 34 1HH1 ARG 34 9.599 -4.968 -6.161 251 2HH1 ARG 34 2HH1 ARG 34 10.789 -5.690 -7.190 252 1HH2 ARG 34 1HH2 ARG 34 8.759 -5.691 -10.035 253 2HH2 ARG 34 2HH2 ARG 34 10.313 -6.101 -9.389 254 H GLY 35 H GLY 35 4.617 -2.869 -10.342 255 1HA GLY 35 2HA GLY 35 5.075 -3.841 -12.379 256 2HA GLY 35 1HA GLY 35 5.641 -5.225 -11.459 257 H SER 36 H SER 36 4.639 -7.042 -11.868 258 HA SER 36 HA SER 36 1.846 -6.944 -12.805 259 1HB SER 36 2HB SER 36 3.826 -7.790 -14.352 260 2HB SER 36 1HB SER 36 3.597 -9.282 -13.441 261 HG SER 36 HG SER 36 1.349 -9.141 -14.051 262 H THR 37 H THR 37 2.361 -6.980 -10.088 263 HA THR 37 HA THR 37 1.159 -9.521 -9.352 264 HB THR 37 HB THR 37 3.775 -8.575 -8.165 265 HG1 THR 37 1HG THR 37 3.158 -10.996 -9.498 266 1HG2 THR 37 1HG2 THR 37 2.496 -9.501 -6.371 267 2HG2 THR 37 2HG2 THR 37 3.718 -10.674 -6.862 268 3HG2 THR 37 3HG2 THR 37 2.040 -10.893 -7.356 269 H LEU 38 H LEU 38 0.335 -9.524 -7.130 270 HA LEU 38 HA LEU 38 -0.375 -6.797 -6.262 271 1HB LEU 38 2HB LEU 38 -1.811 -9.369 -6.267 272 2HB LEU 38 1HB LEU 38 -1.943 -8.476 -4.773 273 HG LEU 38 HG LEU 38 -2.759 -7.471 -7.502 274 1HD1 LEU 38 1HD1 LEU 38 -4.590 -8.658 -7.021 275 2HD1 LEU 38 2HD1 LEU 38 -4.925 -7.402 -5.829 276 3HD1 LEU 38 3HD1 LEU 38 -4.111 -8.891 -5.339 277 1HD2 LEU 38 1HD2 LEU 38 -3.714 -5.582 -6.138 278 2HD2 LEU 38 2HD2 LEU 38 -1.956 -5.602 -6.275 279 3HD2 LEU 38 3HD2 LEU 38 -2.732 -6.157 -4.792 280 H VAL 39 H VAL 39 -0.152 -6.196 -4.108 281 HA VAL 39 HA VAL 39 1.537 -7.985 -2.497 282 HB VAL 39 HB VAL 39 1.610 -4.976 -2.739 283 1HG1 VAL 39 1HG1 VAL 39 3.365 -5.036 -0.993 284 2HG1 VAL 39 2HG1 VAL 39 2.975 -6.732 -0.705 285 3HG1 VAL 39 3HG1 VAL 39 1.766 -5.485 -0.395 286 1HG2 VAL 39 1HG2 VAL 39 3.648 -5.230 -3.767 287 2HG2 VAL 39 2HG2 VAL 39 2.888 -6.743 -4.268 288 3HG2 VAL 39 3HG2 VAL 39 4.012 -6.728 -2.908 289 H ALA 40 H ALA 40 -0.946 -5.475 -2.441 290 HA ALA 40 HA ALA 40 -2.369 -6.775 -0.344 291 1HB ALA 40 1HB ALA 40 -0.988 -4.193 0.366 292 2HB ALA 40 2HB ALA 40 -0.629 -5.786 1.031 293 3HB ALA 40 3HB ALA 40 -2.188 -5.025 1.356 294 H GLU 41 H GLU 41 -4.349 -6.541 -1.116 295 HA GLU 41 HA GLU 41 -5.188 -3.876 -2.048 296 1HB GLU 41 2HB GLU 41 -5.278 -6.372 -3.405 297 2HB GLU 41 1HB GLU 41 -6.935 -5.897 -3.057 298 1HG GLU 41 2HG GLU 41 -6.643 -3.813 -4.191 299 2HG GLU 41 1HG GLU 41 -4.919 -4.117 -4.392 300 H PHE 42 H PHE 42 -6.489 -2.934 -0.661 301 HA PHE 42 HA PHE 42 -8.188 -4.579 1.066 302 1HB PHE 42 2HB PHE 42 -6.860 -3.076 2.339 303 2HB PHE 42 1HB PHE 42 -7.215 -1.730 1.265 304 HD1 PHE 42 1HD PHE 42 -8.379 -3.712 4.083 305 HD2 PHE 42 2HD PHE 42 -9.383 -0.618 1.340 306 HE1 PHE 42 1HE PHE 42 -10.248 -3.036 5.535 307 HE2 PHE 42 2HE PHE 42 -11.253 0.063 2.781 308 HZ PHE 42 HZ PHE 42 -11.688 -1.145 4.885 309 H LYS 43 H LYS 43 -10.389 -3.891 1.469 310 HA LYS 43 HA LYS 43 -11.622 -2.093 -0.427 311 1HB LYS 43 2HB LYS 43 -12.227 -5.050 -0.425 312 2HB LYS 43 1HB LYS 43 -13.278 -3.843 -1.154 313 1HG LYS 43 2HG LYS 43 -11.525 -3.203 -2.695 314 2HG LYS 43 1HG LYS 43 -10.415 -4.346 -1.937 315 1HD LYS 43 2HD LYS 43 -11.271 -5.361 -3.927 316 2HD LYS 43 1HD LYS 43 -12.005 -6.175 -2.545 317 1HE LYS 43 2HE LYS 43 -14.025 -4.834 -2.818 318 2HE LYS 43 1HE LYS 43 -13.289 -3.989 -4.180 319 1HZ LYS 43 1HZ LYS 43 -14.377 -5.557 -5.346 320 2HZ LYS 43 2HZ LYS 43 -14.446 -6.649 -4.056 321 3HZ LYS 43 3HZ LYS 43 -13.030 -6.511 -4.972 322 H ARG 44 H ARG 44 -13.517 -1.255 0.318 323 HA ARG 44 HA ARG 44 -14.072 -1.267 3.006 324 1HB ARG 44 2HB ARG 44 -15.164 -0.102 0.611 325 2HB ARG 44 1HB ARG 44 -16.440 -0.581 1.705 326 1HG ARG 44 2HG ARG 44 -14.191 1.331 2.231 327 2HG ARG 44 1HG ARG 44 -15.921 1.674 2.194 328 1HD ARG 44 2HD ARG 44 -16.021 1.301 4.379 329 2HD ARG 44 1HD ARG 44 -15.512 -0.366 4.107 330 HE ARG 44 HE ARG 44 -13.242 1.271 4.070 331 1HH1 ARG 44 1HH1 ARG 44 -15.667 0.154 6.320 332 2HH1 ARG 44 2HH1 ARG 44 -14.616 0.248 7.693 333 1HH2 ARG 44 1HH2 ARG 44 -11.859 1.395 5.876 334 2HH2 ARG 44 2HH2 ARG 44 -12.455 0.953 7.441 335 H LYS 45 H LYS 45 -14.308 -3.194 3.830 336 HA LYS 45 HA LYS 45 -15.548 -4.880 4.779 337 1HB LYS 45 2HB LYS 45 -17.657 -4.435 2.666 338 2HB LYS 45 1HB LYS 45 -17.832 -5.279 4.197 339 1HG LYS 45 2HG LYS 45 -17.425 -2.324 3.798 340 2HG LYS 45 1HG LYS 45 -18.886 -3.137 4.361 341 1HD LYS 45 2HD LYS 45 -17.251 -4.053 6.216 342 2HD LYS 45 1HD LYS 45 -16.326 -2.611 5.792 343 1HE LYS 45 2HE LYS 45 -18.344 -1.243 6.188 344 2HE LYS 45 1HE LYS 45 -19.205 -2.698 6.690 345 1HZ LYS 45 1HZ LYS 45 -18.509 -2.035 8.711 346 2HZ LYS 45 2HZ LYS 45 -17.201 -1.147 8.111 347 3HZ LYS 45 3HZ LYS 45 -17.078 -2.826 8.273 348 H MET 46 H MET 46 -15.650 -4.781 1.228 349 HA MET 46 HA MET 46 -15.845 -7.483 0.695 350 1HB MET 46 2HB MET 46 -14.569 -5.198 -0.745 351 2HB MET 46 1HB MET 46 -14.298 -6.829 -1.342 352 1HG MET 46 2HG MET 46 -16.122 -6.096 -2.562 353 2HG MET 46 1HG MET 46 -16.846 -7.066 -1.281 354 1HE MET 46 1HE MET 46 -19.396 -5.296 -2.026 355 2HE MET 46 2HE MET 46 -18.101 -5.159 -3.215 356 3HE MET 46 3HE MET 46 -18.822 -3.705 -2.527 357 H LYS 47 H LYS 47 -14.430 -9.187 0.497 358 HA LYS 47 HA LYS 47 -12.301 -9.358 2.277 359 1HB LYS 47 2HB LYS 47 -13.295 -11.024 0.024 360 2HB LYS 47 1HB LYS 47 -11.680 -11.364 0.632 361 1HG LYS 47 2HG LYS 47 -12.918 -12.775 1.926 362 2HG LYS 47 1HG LYS 47 -12.897 -11.343 2.956 363 1HD LYS 47 2HD LYS 47 -15.079 -10.830 1.447 364 2HD LYS 47 1HD LYS 47 -15.126 -12.594 1.490 365 1HE LYS 47 2HE LYS 47 -15.345 -12.654 3.805 366 2HE LYS 47 1HE LYS 47 -14.721 -11.018 4.003 367 1HZ LYS 47 1HZ LYS 47 -17.013 -10.865 4.366 368 2HZ LYS 47 2HZ LYS 47 -17.393 -11.848 3.043 369 3HZ LYS 47 3HZ LYS 47 -16.798 -10.285 2.791 370 HA PRO 48 HA PRO 48 -9.147 -7.343 -0.177 371 1HB PRO 48 2HB PRO 48 -7.235 -7.253 1.684 372 2HB PRO 48 1HB PRO 48 -8.695 -6.267 1.826 373 1HG PRO 48 2HG PRO 48 -7.990 -8.817 3.211 374 2HG PRO 48 1HG PRO 48 -8.808 -7.380 3.851 375 1HD PRO 48 2HD PRO 48 -10.078 -9.701 3.002 376 2HD PRO 48 1HD PRO 48 -10.852 -8.113 3.167 377 H PHE 49 H PHE 49 -6.556 -7.780 -0.197 378 HA PHE 49 HA PHE 49 -6.087 -10.662 -0.435 379 1HB PHE 49 2HB PHE 49 -6.633 -10.011 -2.678 380 2HB PHE 49 1HB PHE 49 -5.583 -8.602 -2.586 381 HD1 PHE 49 1HD PHE 49 -3.238 -8.771 -2.993 382 HD2 PHE 49 2HD PHE 49 -5.647 -12.279 -2.802 383 HE1 PHE 49 1HE PHE 49 -1.375 -10.092 -3.888 384 HE2 PHE 49 2HE PHE 49 -3.782 -13.608 -3.703 385 HZ PHE 49 HZ PHE 49 -1.641 -12.515 -4.243 386 H LEU 50 H LEU 50 -4.557 -10.922 1.094 387 HA LEU 50 HA LEU 50 -2.355 -9.008 1.235 388 1HB LEU 50 2HB LEU 50 -3.621 -10.913 3.106 389 2HB LEU 50 1HB LEU 50 -1.881 -10.780 3.238 390 HG LEU 50 HG LEU 50 -3.892 -8.558 3.568 391 1HD1 LEU 50 1HD1 LEU 50 -2.671 -8.483 5.836 392 2HD1 LEU 50 2HD1 LEU 50 -2.142 -10.116 5.431 393 3HD1 LEU 50 3HD1 LEU 50 -3.864 -9.753 5.558 394 1HD2 LEU 50 1HD2 LEU 50 -1.519 -7.511 4.356 395 2HD2 LEU 50 2HD2 LEU 50 -2.246 -7.261 2.766 396 3HD2 LEU 50 3HD2 LEU 50 -1.016 -8.505 2.985 397 H LYS 51 H LYS 51 -0.686 -9.477 -0.081 398 HA LYS 51 HA LYS 51 -0.181 -11.756 -1.475 399 1HB LYS 51 2HB LYS 51 1.044 -9.682 -1.832 400 2HB LYS 51 1HB LYS 51 1.876 -9.881 -0.297 401 1HG LYS 51 2HG LYS 51 3.421 -10.566 -1.906 402 2HG LYS 51 1HG LYS 51 2.767 -12.068 -1.252 403 1HD LYS 51 2HD LYS 51 1.057 -11.793 -3.238 404 2HD LYS 51 1HD LYS 51 2.355 -10.815 -3.924 405 1HE LYS 51 2HE LYS 51 2.515 -13.694 -3.047 406 2HE LYS 51 1HE LYS 51 2.583 -13.082 -4.699 407 1HZ LYS 51 1HZ LYS 51 4.610 -11.773 -3.808 408 2HZ LYS 51 2HZ LYS 51 4.789 -13.407 -4.203 409 3HZ LYS 51 3HZ LYS 51 4.624 -12.941 -2.585 410 H SER 52 H SER 52 1.315 -10.985 1.677 411 HA SER 52 HA SER 52 1.183 -13.715 2.515 412 1HB SER 52 2HB SER 52 4.010 -12.892 2.533 413 2HB SER 52 1HB SER 52 3.293 -14.459 2.165 414 HG SER 52 HG SER 52 4.131 -12.520 0.478 415 H GLY 53 H GLY 53 2.221 -14.024 4.664 416 1HA GLY 53 2HA GLY 53 1.372 -12.104 6.470 417 2HA GLY 53 1HA GLY 53 2.509 -13.367 6.900 418 H ALA 54 H ALA 54 4.175 -11.913 4.521 419 HA ALA 54 HA ALA 54 5.808 -10.465 6.360 420 1HB ALA 54 1HB ALA 54 7.398 -10.555 4.768 421 2HB ALA 54 2HB ALA 54 6.285 -10.098 3.479 422 3HB ALA 54 3HB ALA 54 6.325 -11.763 4.063 423 H PHE 55 H PHE 55 2.964 -9.563 5.066 424 HA PHE 55 HA PHE 55 3.743 -6.732 5.089 425 1HB PHE 55 2HB PHE 55 1.723 -7.933 3.192 426 2HB PHE 55 1HB PHE 55 2.183 -6.243 3.287 427 HD1 PHE 55 1HD PHE 55 4.543 -5.609 2.750 428 HD2 PHE 55 2HD PHE 55 2.923 -9.428 1.834 429 HE1 PHE 55 1HE PHE 55 6.321 -5.954 1.091 430 HE2 PHE 55 2HE PHE 55 4.703 -9.792 0.175 431 HZ PHE 55 HZ PHE 55 6.408 -8.052 -0.199 432 H GLU 56 H GLU 56 2.067 -5.261 5.652 433 HA GLU 56 HA GLU 56 -0.397 -6.305 6.748 434 1HB GLU 56 2HB GLU 56 1.195 -6.593 8.613 435 2HB GLU 56 1HB GLU 56 1.603 -4.885 8.523 436 1HG GLU 56 2HG GLU 56 -1.060 -4.704 8.813 437 2HG GLU 56 1HG GLU 56 -0.760 -6.215 9.671 438 H ILE 57 H ILE 57 -1.916 -4.951 6.094 439 HA ILE 57 HA ILE 57 -1.272 -2.348 5.100 440 HB ILE 57 HB ILE 57 -3.034 -3.746 4.083 441 1HG1 ILE 57 2HG1 ILE 57 -4.426 -1.293 5.074 442 2HG1 ILE 57 1HG1 ILE 57 -2.936 -1.112 4.153 443 1HG2 ILE 57 1HG2 ILE 57 -5.146 -3.064 5.943 444 2HG2 ILE 57 2HG2 ILE 57 -3.921 -4.093 6.685 445 3HG2 ILE 57 3HG2 ILE 57 -4.739 -4.618 5.215 446 1HD1 ILE 57 1HD1 ILE 57 -3.889 -1.811 2.217 447 2HD1 ILE 57 2HD1 ILE 57 -5.316 -1.138 3.006 448 3HD1 ILE 57 3HD1 ILE 57 -5.031 -2.879 3.033 449 H LEU 58 H LEU 58 -0.637 -0.917 6.609 450 HA LEU 58 HA LEU 58 -1.441 -0.678 9.229 451 1HB LEU 58 2HB LEU 58 0.031 0.883 7.347 452 2HB LEU 58 1HB LEU 58 -1.041 1.953 8.231 453 HG LEU 58 HG LEU 58 -0.053 1.379 10.318 454 1HD1 LEU 58 1HD1 LEU 58 1.077 -0.917 8.794 455 2HD1 LEU 58 2HD1 LEU 58 0.315 -0.882 10.384 456 3HD1 LEU 58 3HD1 LEU 58 1.964 -0.290 10.183 457 1HD2 LEU 58 1HD2 LEU 58 1.709 2.094 8.066 458 2HD2 LEU 58 2HD2 LEU 58 2.515 1.598 9.555 459 3HD2 LEU 58 3HD2 LEU 58 1.383 2.951 9.572 460 H ALA 59 H ALA 59 -2.694 1.187 10.193 461 HA ALA 59 HA ALA 59 -5.393 1.014 9.356 462 1HB ALA 59 1HB ALA 59 -4.622 3.223 11.158 463 2HB ALA 59 2HB ALA 59 -4.227 1.590 11.695 464 3HB ALA 59 3HB ALA 59 -5.897 2.014 11.320 465 H ASN 60 H ASN 60 -2.833 3.224 8.590 466 HA ASN 60 HA ASN 60 -4.713 5.166 7.476 467 1HB ASN 60 2HB ASN 60 -2.784 6.627 7.195 468 2HB ASN 60 1HB ASN 60 -2.840 6.011 8.844 469 1HD2 ASN 60 1HD2 ASN 60 -1.393 4.302 9.419 470 2HD2 ASN 60 2HD2 ASN 60 0.110 4.122 8.586 471 H GLY 61 H GLY 61 -4.451 2.561 6.249 472 1HA GLY 61 2HA GLY 61 -4.268 1.636 4.157 473 2HA GLY 61 1HA GLY 61 -4.372 3.283 3.555 474 H ASP 62 H ASP 62 -1.814 2.101 5.647 475 HA ASP 62 HA ASP 62 0.098 2.644 3.487 476 1HB ASP 62 2HB ASP 62 0.080 3.447 6.149 477 2HB ASP 62 1HB ASP 62 1.274 2.153 6.106 478 H LEU 63 H LEU 63 2.087 1.263 3.471 479 HA LEU 63 HA LEU 63 1.293 -1.579 3.789 480 1HB LEU 63 2HB LEU 63 1.977 -0.615 1.518 481 2HB LEU 63 1HB LEU 63 3.605 -0.524 2.166 482 HG LEU 63 HG LEU 63 3.323 -3.047 2.657 483 1HD1 LEU 63 1HD1 LEU 63 0.804 -2.784 1.980 484 2HD1 LEU 63 2HD1 LEU 63 1.700 -4.250 1.569 485 3HD1 LEU 63 3HD1 LEU 63 1.440 -2.998 0.348 486 1HD2 LEU 63 1HD2 LEU 63 4.930 -2.601 1.099 487 2HD2 LEU 63 2HD2 LEU 63 3.836 -1.674 0.074 488 3HD2 LEU 63 3HD2 LEU 63 3.754 -3.435 0.082 489 H LYS 64 H LYS 64 2.200 -2.681 5.418 490 HA LYS 64 HA LYS 64 4.708 -1.653 6.558 491 1HB LYS 64 2HB LYS 64 2.380 -2.095 7.854 492 2HB LYS 64 1HB LYS 64 3.139 -3.667 8.057 493 1HG LYS 64 2HG LYS 64 4.774 -1.269 8.660 494 2HG LYS 64 1HG LYS 64 3.481 -1.690 9.786 495 1HD LYS 64 2HD LYS 64 4.408 -3.928 10.037 496 2HD LYS 64 1HD LYS 64 5.675 -3.549 8.868 497 1HE LYS 64 2HE LYS 64 6.482 -3.387 11.178 498 2HE LYS 64 1HE LYS 64 6.557 -1.836 10.346 499 1HZ LYS 64 1HZ LYS 64 4.498 -1.195 11.447 500 2HZ LYS 64 2HZ LYS 64 5.691 -1.584 12.579 501 3HZ LYS 64 3HZ LYS 64 4.444 -2.679 12.256 502 H ILE 65 H ILE 65 6.424 -2.705 5.808 503 HA ILE 65 HA ILE 65 6.222 -5.517 5.046 504 HB ILE 65 HB ILE 65 8.763 -3.936 4.937 505 1HG1 ILE 65 2HG1 ILE 65 6.418 -3.718 3.034 506 2HG1 ILE 65 1HG1 ILE 65 7.195 -2.421 3.928 507 1HG2 ILE 65 1HG2 ILE 65 7.703 -6.422 3.824 508 2HG2 ILE 65 2HG2 ILE 65 9.367 -5.934 4.136 509 3HG2 ILE 65 3HG2 ILE 65 8.563 -5.421 2.657 510 1HD1 ILE 65 1HD1 ILE 65 8.607 -2.058 2.274 511 2HD1 ILE 65 2HD1 ILE 65 7.725 -3.246 1.314 512 3HD1 ILE 65 3HD1 ILE 65 9.121 -3.744 2.271 513 H LYS 66 H LYS 66 7.204 -7.187 6.147 514 HA LYS 66 HA LYS 66 8.159 -6.552 8.822 515 1HB LYS 66 2HB LYS 66 6.409 -8.266 8.530 516 2HB LYS 66 1HB LYS 66 7.539 -9.235 7.593 517 1HG LYS 66 2HG LYS 66 8.935 -9.581 9.495 518 2HG LYS 66 1HG LYS 66 8.013 -8.416 10.449 519 1HD LYS 66 2HD LYS 66 6.019 -9.896 10.189 520 2HD LYS 66 1HD LYS 66 7.068 -11.088 9.419 521 1HE LYS 66 2HE LYS 66 6.949 -11.764 11.659 522 2HE LYS 66 1HE LYS 66 8.499 -10.934 11.526 523 1HZ LYS 66 1HZ LYS 66 7.735 -9.893 13.355 524 2HZ LYS 66 2HZ LYS 66 6.107 -10.172 12.991 525 3HZ LYS 66 3HZ LYS 66 6.939 -8.912 12.229 526 H ASN 67 H ASN 67 9.258 -8.217 5.943 527 HA ASN 67 HA ASN 67 12.016 -7.937 6.875 528 1HB ASN 67 2HB ASN 67 11.237 -10.243 7.419 529 2HB ASN 67 1HB ASN 67 10.911 -10.503 5.709 530 1HD2 ASN 67 1HD2 ASN 67 12.764 -10.236 4.239 531 2HD2 ASN 67 2HD2 ASN 67 14.320 -10.745 4.790 532 H LEU 68 H LEU 68 12.809 -6.576 5.377 533 HA LEU 68 HA LEU 68 11.871 -6.270 2.785 534 1HB LEU 68 2HB LEU 68 14.446 -5.569 4.137 535 2HB LEU 68 1HB LEU 68 14.235 -5.273 2.419 536 HG LEU 68 HG LEU 68 12.141 -4.284 4.271 537 1HD1 LEU 68 1HD1 LEU 68 14.844 -3.001 3.917 538 2HD1 LEU 68 2HD1 LEU 68 14.122 -3.568 5.422 539 3HD1 LEU 68 3HD1 LEU 68 13.431 -2.183 4.582 540 1HD2 LEU 68 1HD2 LEU 68 11.456 -3.495 2.321 541 2HD2 LEU 68 2HD2 LEU 68 12.984 -3.900 1.540 542 3HD2 LEU 68 3HD2 LEU 68 12.809 -2.366 2.391 543 H THR 69 H THR 69 12.501 -6.982 0.820 544 HA THR 69 HA THR 69 14.565 -9.038 0.630 545 HB THR 69 HB THR 69 12.875 -10.386 -0.808 546 HG1 THR 69 1HG THR 69 11.104 -9.160 -0.877 547 1HG2 THR 69 1HG2 THR 69 12.567 -10.300 2.181 548 2HG2 THR 69 2HG2 THR 69 13.730 -11.264 1.271 549 3HG2 THR 69 3HG2 THR 69 12.004 -11.596 1.125 550 H ARG 70 H ARG 70 15.149 -9.549 -1.601 551 HA ARG 70 HA ARG 70 15.649 -7.316 -3.162 552 1HB ARG 70 2HB ARG 70 15.303 -10.003 -4.459 553 2HB ARG 70 1HB ARG 70 16.492 -8.756 -4.801 554 1HG ARG 70 2HG ARG 70 17.925 -9.980 -3.627 555 2HG ARG 70 1HG ARG 70 17.042 -9.472 -2.187 556 1HD ARG 70 2HD ARG 70 15.925 -11.460 -2.002 557 2HD ARG 70 1HD ARG 70 15.998 -11.786 -3.733 558 HE ARG 70 HE ARG 70 18.595 -11.879 -2.665 559 1HH1 ARG 70 1HH1 ARG 70 15.604 -13.677 -2.607 560 2HH1 ARG 70 2HH1 ARG 70 16.380 -15.198 -2.322 561 1HH2 ARG 70 1HH2 ARG 70 19.616 -13.880 -2.291 562 2HH2 ARG 70 2HH2 ARG 70 18.657 -15.314 -2.142 563 H ASP 71 H ASP 71 13.168 -9.803 -3.815 564 HA ASP 71 HA ASP 71 11.990 -8.619 -6.004 565 1HB ASP 71 2HB ASP 71 9.924 -9.889 -5.195 566 2HB ASP 71 1HB ASP 71 11.369 -10.831 -5.513 567 H ASP 72 H ASP 72 11.843 -7.662 -2.684 568 HA ASP 72 HA ASP 72 9.397 -6.169 -2.938 569 1HB ASP 72 2HB ASP 72 10.729 -7.170 -0.802 570 2HB ASP 72 1HB ASP 72 11.252 -5.491 -0.740 571 H SER 73 H SER 73 12.632 -5.625 -3.825 572 HA SER 73 HA SER 73 12.585 -2.760 -3.511 573 1HB SER 73 2HB SER 73 14.653 -4.364 -3.537 574 2HB SER 73 1HB SER 73 14.526 -4.205 -5.290 575 HG SER 73 HG SER 73 15.896 -2.613 -4.513 576 H GLY 74 H GLY 74 11.846 -1.299 -4.948 577 1HA GLY 74 2HA GLY 74 11.972 -1.103 -7.579 578 2HA GLY 74 1HA GLY 74 10.694 -2.299 -7.411 579 H THR 75 H THR 75 9.489 -0.617 -8.558 580 HA THR 75 HA THR 75 8.673 1.708 -6.968 581 HB THR 75 HB THR 75 7.471 1.089 -9.617 582 HG1 THR 75 1HG THR 75 9.487 0.573 -10.199 583 1HG2 THR 75 1HG2 THR 75 7.460 3.349 -9.950 584 2HG2 THR 75 2HG2 THR 75 8.839 3.618 -8.886 585 3HG2 THR 75 3HG2 THR 75 7.258 3.253 -8.202 586 H TYR 76 H TYR 76 6.857 1.742 -5.802 587 HA TYR 76 HA TYR 76 4.894 -0.416 -6.177 588 1HB TYR 76 2HB TYR 76 5.565 1.324 -3.806 589 2HB TYR 76 1HB TYR 76 4.082 0.378 -3.877 590 HD1 TYR 76 1HD TYR 76 4.110 -1.723 -2.916 591 HD2 TYR 76 2HD TYR 76 7.756 -0.080 -4.359 592 HE1 TYR 76 1HE TYR 76 5.328 -3.680 -2.049 593 HE2 TYR 76 2HE TYR 76 8.982 -2.026 -3.493 594 HH TYR 76 HH TYR 76 8.849 -3.876 -2.200 595 H ASN 77 H ASN 77 2.882 0.041 -6.870 596 HA ASN 77 HA ASN 77 2.167 2.883 -7.149 597 1HB ASN 77 2HB ASN 77 1.605 0.483 -8.864 598 2HB ASN 77 1HB ASN 77 0.585 1.912 -8.960 599 1HD2 ASN 77 1HD2 ASN 77 3.873 0.736 -9.308 600 2HD2 ASN 77 2HD2 ASN 77 4.398 1.971 -10.397 601 H VAL 78 H VAL 78 0.471 3.614 -6.045 602 HA VAL 78 HA VAL 78 -1.394 1.639 -4.913 603 HB VAL 78 HB VAL 78 -1.506 4.384 -3.834 604 1HG1 VAL 78 1HG1 VAL 78 -1.186 2.198 -1.965 605 2HG1 VAL 78 2HG1 VAL 78 -2.443 1.871 -3.156 606 3HG1 VAL 78 3HG1 VAL 78 -2.526 3.326 -2.170 607 1HG2 VAL 78 1HG2 VAL 78 0.993 2.781 -3.696 608 2HG2 VAL 78 2HG2 VAL 78 0.442 3.565 -2.212 609 3HG2 VAL 78 3HG2 VAL 78 0.757 4.530 -3.656 610 H THR 79 H THR 79 -3.471 1.681 -5.481 611 HA THR 79 HA THR 79 -4.455 4.003 -7.003 612 HB THR 79 HB THR 79 -6.001 1.576 -7.408 613 HG1 THR 79 1HG THR 79 -3.944 0.598 -7.096 614 1HG2 THR 79 1HG2 THR 79 -5.630 3.790 -8.833 615 2HG2 THR 79 2HG2 THR 79 -6.114 2.255 -9.553 616 3HG2 THR 79 3HG2 THR 79 -4.424 2.759 -9.602 617 H VAL 80 H VAL 80 -5.442 5.140 -5.423 618 HA VAL 80 HA VAL 80 -7.173 3.787 -3.509 619 HB VAL 80 HB VAL 80 -6.351 6.688 -3.744 620 1HG1 VAL 80 1HG1 VAL 80 -7.893 5.350 -1.526 621 2HG1 VAL 80 2HG1 VAL 80 -8.574 6.454 -2.720 622 3HG1 VAL 80 3HG1 VAL 80 -7.365 7.033 -1.573 623 1HG2 VAL 80 1HG2 VAL 80 -4.879 4.541 -2.837 624 2HG2 VAL 80 2HG2 VAL 80 -5.559 5.216 -1.357 625 3HG2 VAL 80 3HG2 VAL 80 -4.601 6.235 -2.431 626 H TYR 81 H TYR 81 -9.287 3.577 -3.781 627 HA TYR 81 HA TYR 81 -10.646 5.398 -5.653 628 1HB TYR 81 2HB TYR 81 -11.297 2.538 -5.006 629 2HB TYR 81 1HB TYR 81 -12.282 3.574 -6.006 630 HD1 TYR 81 1HD TYR 81 -9.320 1.487 -5.875 631 HD2 TYR 81 2HD TYR 81 -11.435 4.347 -8.207 632 HE1 TYR 81 1HE TYR 81 -8.016 0.832 -7.853 633 HE2 TYR 81 2HE TYR 81 -10.134 3.701 -10.191 634 HH TYR 81 HH TYR 81 -8.856 1.515 -10.921 635 H SER 82 H SER 82 -12.749 6.000 -5.191 636 HA SER 82 HA SER 82 -13.292 6.308 -2.354 637 1HB SER 82 2HB SER 82 -15.284 7.605 -3.882 638 2HB SER 82 1HB SER 82 -13.944 8.330 -2.996 639 HG SER 82 HG SER 82 -13.979 7.487 -5.701 640 H THR 83 H THR 83 -15.704 6.335 -1.779 641 HA THR 83 HA THR 83 -16.699 3.735 -1.886 642 HB THR 83 HB THR 83 -18.896 4.882 -1.155 643 HG1 THR 83 1HG THR 83 -18.450 6.931 -1.999 644 1HG2 THR 83 1HG2 THR 83 -16.495 5.551 0.516 645 2HG2 THR 83 2HG2 THR 83 -17.180 3.930 0.402 646 3HG2 THR 83 3HG2 THR 83 -18.149 5.253 1.053 647 H ASN 84 H ASN 84 -17.007 6.313 -4.158 648 HA ASN 84 HA ASN 84 -19.240 5.010 -5.522 649 1HB ASN 84 2HB ASN 84 -18.767 7.634 -5.120 650 2HB ASN 84 1HB ASN 84 -17.994 7.432 -6.689 651 1HD2 ASN 84 1HD2 ASN 84 -20.480 8.825 -5.785 652 2HD2 ASN 84 2HD2 ASN 84 -21.720 8.228 -6.829 653 H GLY 85 H GLY 85 -16.489 3.873 -5.417 654 1HA GLY 85 2HA GLY 85 -14.993 2.843 -6.821 655 2HA GLY 85 1HA GLY 85 -16.321 2.810 -7.970 656 H THR 86 H THR 86 -15.103 5.847 -6.802 657 HA THR 86 HA THR 86 -14.211 6.486 -9.505 658 HB THR 86 HB THR 86 -14.086 8.548 -7.386 659 HG1 THR 86 1HG THR 86 -16.560 7.508 -8.298 660 1HG2 THR 86 1HG2 THR 86 -14.782 8.388 -10.246 661 2HG2 THR 86 2HG2 THR 86 -13.875 9.613 -9.360 662 3HG2 THR 86 3HG2 THR 86 -15.636 9.594 -9.285 663 H ARG 87 H ARG 87 -12.186 7.589 -9.869 664 HA ARG 87 HA ARG 87 -10.034 6.366 -8.397 665 1HB ARG 87 2HB ARG 87 -9.517 8.505 -10.411 666 2HB ARG 87 1HB ARG 87 -8.656 6.998 -10.130 667 1HG ARG 87 2HG ARG 87 -11.010 6.032 -10.998 668 2HG ARG 87 1HG ARG 87 -10.966 7.570 -11.862 669 1HD ARG 87 2HD ARG 87 -9.966 5.709 -13.147 670 2HD ARG 87 1HD ARG 87 -8.830 7.020 -12.829 671 HE ARG 87 HE ARG 87 -8.572 5.110 -10.799 672 1HH1 ARG 87 1HH1 ARG 87 -7.972 5.439 -14.221 673 2HH1 ARG 87 2HH1 ARG 87 -6.662 4.308 -14.227 674 1HH2 ARG 87 1HH2 ARG 87 -6.849 3.621 -10.806 675 2HH2 ARG 87 2HH2 ARG 87 -6.024 3.275 -12.289 676 H ILE 88 H ILE 88 -9.534 7.174 -6.456 677 HA ILE 88 HA ILE 88 -9.860 9.981 -5.864 678 HB ILE 88 HB ILE 88 -8.701 7.770 -4.163 679 1HG1 ILE 88 2HG1 ILE 88 -11.457 9.013 -4.261 680 2HG1 ILE 88 1HG1 ILE 88 -11.034 7.351 -4.659 681 1HG2 ILE 88 1HG2 ILE 88 -9.734 9.912 -2.616 682 2HG2 ILE 88 2HG2 ILE 88 -8.644 10.594 -3.824 683 3HG2 ILE 88 3HG2 ILE 88 -8.068 9.340 -2.727 684 1HD1 ILE 88 1HD1 ILE 88 -10.740 6.763 -2.443 685 2HD1 ILE 88 2HD1 ILE 88 -12.114 7.867 -2.380 686 3HD1 ILE 88 3HD1 ILE 88 -10.509 8.431 -1.923 687 H LEU 89 H LEU 89 -7.051 7.848 -5.291 688 HA LEU 89 HA LEU 89 -5.326 9.881 -6.494 689 1HB LEU 89 2HB LEU 89 -5.203 10.561 -4.262 690 2HB LEU 89 1HB LEU 89 -5.222 8.916 -3.660 691 HG LEU 89 HG LEU 89 -2.885 9.675 -5.318 692 1HD1 LEU 89 1HD1 LEU 89 -3.550 10.957 -2.705 693 2HD1 LEU 89 2HD1 LEU 89 -2.801 11.652 -4.143 694 3HD1 LEU 89 3HD1 LEU 89 -1.872 10.581 -3.096 695 1HD2 LEU 89 1HD2 LEU 89 -2.068 8.510 -2.946 696 2HD2 LEU 89 2HD2 LEU 89 -2.330 7.682 -4.480 697 3HD2 LEU 89 3HD2 LEU 89 -3.618 7.738 -3.279 698 H ASN 90 H ASN 90 -3.816 9.048 -7.737 699 HA ASN 90 HA ASN 90 -3.097 6.208 -7.415 700 1HB ASN 90 2HB ASN 90 -4.203 7.436 -9.649 701 2HB ASN 90 1HB ASN 90 -2.483 7.387 -10.023 702 1HD2 ASN 90 1HD2 ASN 90 -1.824 5.027 -8.672 703 2HD2 ASN 90 2HD2 ASN 90 -2.561 3.703 -9.500 704 H LYS 91 H LYS 91 -1.200 6.191 -6.352 705 HA LYS 91 HA LYS 91 0.848 8.138 -7.208 706 1HB LYS 91 2HB LYS 91 0.459 6.870 -4.498 707 2HB LYS 91 1HB LYS 91 1.811 7.902 -4.930 708 1HG LYS 91 2HG LYS 91 -0.971 8.904 -5.289 709 2HG LYS 91 1HG LYS 91 -0.251 8.873 -3.678 710 1HD LYS 91 2HD LYS 91 1.182 10.553 -4.146 711 2HD LYS 91 1HD LYS 91 1.449 10.000 -5.801 712 1HE LYS 91 2HE LYS 91 -1.178 10.824 -5.831 713 2HE LYS 91 1HE LYS 91 -0.404 11.999 -4.769 714 1HZ LYS 91 1HZ LYS 91 -0.049 11.560 -7.620 715 2HZ LYS 91 2HZ LYS 91 1.356 11.915 -6.750 716 3HZ LYS 91 3HZ LYS 91 0.052 12.990 -6.723 717 H ALA 92 H ALA 92 3.082 7.493 -6.923 718 HA ALA 92 HA ALA 92 3.634 4.633 -6.995 719 1HB ALA 92 1HB ALA 92 4.223 6.539 -9.243 720 2HB ALA 92 2HB ALA 92 3.361 5.002 -9.307 721 3HB ALA 92 3HB ALA 92 5.103 5.024 -9.031 722 H LEU 93 H LEU 93 5.284 4.282 -5.649 723 HA LEU 93 HA LEU 93 7.243 6.450 -5.244 724 1HB LEU 93 2HB LEU 93 6.843 4.321 -3.199 725 2HB LEU 93 1HB LEU 93 7.365 5.982 -2.992 726 HG LEU 93 HG LEU 93 4.952 6.626 -3.604 727 1HD1 LEU 93 1HD1 LEU 93 4.773 3.678 -3.427 728 2HD1 LEU 93 2HD1 LEU 93 3.828 4.820 -4.384 729 3HD1 LEU 93 3HD1 LEU 93 3.479 4.605 -2.668 730 1HD2 LEU 93 1HD2 LEU 93 5.681 6.996 -1.402 731 2HD2 LEU 93 2HD2 LEU 93 5.760 5.269 -1.048 732 3HD2 LEU 93 3HD2 LEU 93 4.195 6.059 -1.243 733 H ASP 94 H ASP 94 9.422 5.758 -4.611 734 HA ASP 94 HA ASP 94 10.169 3.266 -5.985 735 1HB ASP 94 2HB ASP 94 11.931 5.653 -5.392 736 2HB ASP 94 1HB ASP 94 12.341 4.259 -6.388 737 H LEU 95 H LEU 95 10.534 1.653 -4.591 738 HA LEU 95 HA LEU 95 11.585 2.295 -1.936 739 1HB LEU 95 2HB LEU 95 9.495 0.705 -2.669 740 2HB LEU 95 1HB LEU 95 10.778 -0.478 -2.507 741 HG LEU 95 HG LEU 95 9.726 1.377 -0.378 742 1HD1 LEU 95 1HD1 LEU 95 9.947 -1.495 0.116 743 2HD1 LEU 95 2HD1 LEU 95 8.811 -1.058 -1.158 744 3HD1 LEU 95 3HD1 LEU 95 8.627 -0.376 0.456 745 1HD2 LEU 95 1HD2 LEU 95 12.318 0.890 -0.520 746 2HD2 LEU 95 2HD2 LEU 95 11.827 -0.638 0.210 747 3HD2 LEU 95 3HD2 LEU 95 11.457 0.887 1.018 748 H ARG 96 H ARG 96 13.792 2.350 -2.068 749 HA ARG 96 HA ARG 96 15.157 0.197 -3.503 750 1HB ARG 96 2HB ARG 96 16.869 2.248 -2.277 751 2HB ARG 96 1HB ARG 96 16.830 1.619 -3.910 752 1HG ARG 96 2HG ARG 96 14.918 3.678 -2.857 753 2HG ARG 96 1HG ARG 96 16.357 4.023 -3.815 754 1HD ARG 96 2HD ARG 96 13.859 2.573 -4.639 755 2HD ARG 96 1HD ARG 96 14.578 4.013 -5.356 756 HE ARG 96 HE ARG 96 16.489 2.176 -5.756 757 1HH1 ARG 96 1HH1 ARG 96 13.053 2.128 -6.370 758 2HH1 ARG 96 2HH1 ARG 96 13.184 1.049 -7.717 759 1HH2 ARG 96 1HH2 ARG 96 16.661 0.759 -7.528 760 2HH2 ARG 96 2HH2 ARG 96 15.231 0.272 -8.375 761 H ILE 97 H ILE 97 15.848 -1.504 -2.440 762 HA ILE 97 HA ILE 97 16.323 -1.268 0.457 763 HB ILE 97 HB ILE 97 15.795 -3.861 -0.964 764 1HG1 ILE 97 2HG1 ILE 97 13.604 -2.383 0.447 765 2HG1 ILE 97 1HG1 ILE 97 13.959 -1.993 -1.230 766 1HG2 ILE 97 1HG2 ILE 97 16.673 -3.430 1.516 767 2HG2 ILE 97 2HG2 ILE 97 15.617 -4.779 1.097 768 3HG2 ILE 97 3HG2 ILE 97 14.939 -3.317 1.813 769 1HD1 ILE 97 1HD1 ILE 97 12.150 -3.633 -0.984 770 2HD1 ILE 97 2HD1 ILE 97 13.287 -4.742 -0.217 771 3HD1 ILE 97 3HD1 ILE 97 13.522 -4.259 -1.897 772 H LEU 98 H LEU 98 18.383 -1.346 1.046 773 HA LEU 98 HA LEU 98 20.477 -2.110 -0.676 774 1HB LEU 98 2HB LEU 98 20.134 -1.117 2.078 775 2HB LEU 98 1HB LEU 98 21.586 -2.037 1.784 776 HG LEU 98 HG LEU 98 20.732 0.459 0.337 777 1HD1 LEU 98 1HD1 LEU 98 21.814 0.357 2.778 778 2HD1 LEU 98 2HD1 LEU 98 22.185 1.634 1.619 779 3HD1 LEU 98 3HD1 LEU 98 23.288 0.271 1.813 780 1HD2 LEU 98 1HD2 LEU 98 21.870 -0.653 -1.321 781 2HD2 LEU 98 2HD2 LEU 98 22.905 -1.517 -0.183 782 3HD2 LEU 98 3HD2 LEU 98 23.193 0.191 -0.516 783 H GLU 99 H GLU 99 21.073 -4.112 -1.135 784 HA GLU 99 HA GLU 99 20.108 -6.378 0.302 785 1HB GLU 99 2HB GLU 99 22.212 -6.177 -1.860 786 2HB GLU 99 1HB GLU 99 21.522 -7.680 -1.264 787 1HG GLU 99 2HG GLU 99 19.649 -7.444 -2.462 788 2HG GLU 99 1HG GLU 99 19.549 -5.711 -2.154 Start of MODEL 8 1 1H ARG 1 1H ARG 1 13.582 13.415 3.658 2 2H ARG 1 2H ARG 1 13.727 11.996 2.704 3 3H ARG 1 3H ARG 1 13.295 11.878 4.360 4 HA ARG 1 HA ARG 1 11.317 13.261 3.789 5 1HB ARG 1 2HB ARG 1 11.990 12.266 1.018 6 2HB ARG 1 1HB ARG 1 10.665 13.324 1.483 7 1HG ARG 1 2HG ARG 1 13.599 13.995 1.528 8 2HG ARG 1 1HG ARG 1 12.390 14.600 0.394 9 1HD ARG 1 2HD ARG 1 11.182 15.605 2.333 10 2HD ARG 1 1HD ARG 1 12.535 15.127 3.358 11 HE ARG 1 HE ARG 1 13.314 16.703 1.086 12 1HH1 ARG 1 1HH1 ARG 1 12.159 16.814 4.377 13 2HH1 ARG 1 2HH1 ARG 1 12.788 18.398 4.678 14 1HH2 ARG 1 1HH2 ARG 1 14.144 18.787 1.479 15 2HH2 ARG 1 2HH2 ARG 1 13.916 19.519 3.032 16 H ASP 2 H ASP 2 9.350 12.107 3.631 17 HA ASP 2 HA ASP 2 9.662 9.252 4.072 18 1HB ASP 2 2HB ASP 2 8.053 11.145 5.234 19 2HB ASP 2 1HB ASP 2 6.939 10.354 4.124 20 H SER 3 H SER 3 7.321 11.197 2.208 21 HA SER 3 HA SER 3 6.450 9.098 0.577 22 1HB SER 3 2HB SER 3 6.215 12.044 0.567 23 2HB SER 3 1HB SER 3 5.998 11.263 -0.999 24 HG SER 3 HG SER 3 4.316 11.358 1.105 25 H GLY 4 H GLY 4 6.770 8.870 -1.772 26 1HA GLY 4 2HA GLY 4 8.078 8.730 -3.672 27 2HA GLY 4 1HA GLY 4 9.115 9.974 -2.994 28 H THR 5 H THR 5 10.996 8.932 -3.625 29 HA THR 5 HA THR 5 11.736 6.310 -3.352 30 HB THR 5 HB THR 5 13.651 8.522 -2.643 31 HG1 THR 5 1HG THR 5 13.298 9.405 -4.493 32 1HG2 THR 5 1HG2 THR 5 15.183 6.971 -2.957 33 2HG2 THR 5 2HG2 THR 5 14.642 6.792 -4.626 34 3HG2 THR 5 3HG2 THR 5 13.938 5.788 -3.359 35 H VAL 6 H VAL 6 12.748 5.063 -1.839 36 HA VAL 6 HA VAL 6 12.823 6.045 0.913 37 HB VAL 6 HB VAL 6 10.662 4.686 0.177 38 1HG1 VAL 6 1HG1 VAL 6 10.791 2.420 0.254 39 2HG1 VAL 6 2HG1 VAL 6 12.336 2.430 1.106 40 3HG1 VAL 6 3HG1 VAL 6 12.263 2.875 -0.600 41 1HG2 VAL 6 1HG2 VAL 6 12.196 4.397 2.751 42 2HG2 VAL 6 2HG2 VAL 6 10.579 3.733 2.529 43 3HG2 VAL 6 3HG2 VAL 6 10.840 5.472 2.405 44 H TRP 7 H TRP 7 14.356 5.056 2.211 45 HA TRP 7 HA TRP 7 16.135 3.159 0.829 46 1HB TRP 7 2HB TRP 7 16.816 5.238 2.919 47 2HB TRP 7 1HB TRP 7 17.954 4.066 2.261 48 HD1 TRP 7 HD TRP 7 16.043 7.244 1.305 49 HE1 TRP 7 1HE TRP 7 17.104 8.232 -0.822 50 HE3 TRP 7 3HE TRP 7 19.286 3.454 0.185 51 HZ2 TRP 7 2HZ TRP 7 19.062 7.501 -2.722 52 HZ3 TRP 7 3HZ TRP 7 20.717 3.677 -1.806 53 HH2 TRP 7 HH TRP 7 20.606 5.658 -3.229 54 H GLY 8 H GLY 8 16.335 1.201 1.688 55 1HA GLY 8 2HA GLY 8 15.924 0.868 4.579 56 2HA GLY 8 1HA GLY 8 14.854 -0.032 3.521 57 H ALA 9 H ALA 9 16.079 -1.664 5.070 58 HA ALA 9 HA ALA 9 18.315 -2.731 3.479 59 1HB ALA 9 1HB ALA 9 18.154 -2.682 6.488 60 2HB ALA 9 2HB ALA 9 19.256 -1.741 5.481 61 3HB ALA 9 3HB ALA 9 19.398 -3.498 5.540 62 H LEU 10 H LEU 10 18.224 -4.836 3.008 63 HA LEU 10 HA LEU 10 15.865 -6.282 3.175 64 1HB LEU 10 2HB LEU 10 18.291 -6.631 1.961 65 2HB LEU 10 1HB LEU 10 18.316 -7.915 3.152 66 HG LEU 10 HG LEU 10 15.948 -8.488 2.156 67 1HD1 LEU 10 1HD1 LEU 10 15.416 -6.958 0.574 68 2HD1 LEU 10 2HD1 LEU 10 16.380 -8.026 -0.446 69 3HD1 LEU 10 3HD1 LEU 10 17.101 -6.567 0.229 70 1HD2 LEU 10 1HD2 LEU 10 18.349 -9.110 0.473 71 2HD2 LEU 10 2HD2 LEU 10 16.957 -10.130 0.840 72 3HD2 LEU 10 3HD2 LEU 10 18.146 -9.776 2.093 73 H GLY 11 H GLY 11 14.970 -7.673 4.587 74 1HA GLY 11 2HA GLY 11 14.845 -9.105 6.426 75 2HA GLY 11 1HA GLY 11 16.510 -8.708 6.820 76 H HIS 12 H HIS 12 15.290 -5.755 6.386 77 HA HIS 12 HA HIS 12 14.502 -5.539 9.206 78 1HB HIS 12 2HB HIS 12 16.282 -4.128 9.151 79 2HB HIS 12 1HB HIS 12 16.197 -3.930 7.407 80 HD1 HIS 12 1HD HIS 12 14.828 -1.998 6.499 81 HD2 HIS 12 2HD HIS 12 14.923 -2.177 10.643 82 HE1 HIS 12 1HE HIS 12 14.010 0.255 7.287 83 HE2 HIS 12 2HE HIS 12 14.161 0.150 9.802 84 H GLY 13 H GLY 13 12.978 -3.642 9.622 85 1HA GLY 13 2HA GLY 13 10.599 -4.083 8.099 86 2HA GLY 13 1HA GLY 13 10.797 -2.916 9.400 87 H ILE 14 H ILE 14 9.295 -1.829 7.746 88 HA ILE 14 HA ILE 14 10.328 0.464 6.780 89 HB ILE 14 HB ILE 14 11.793 -0.851 5.290 90 1HG1 ILE 14 2HG1 ILE 14 10.617 0.243 3.076 91 2HG1 ILE 14 1HG1 ILE 14 9.885 1.177 4.374 92 1HG2 ILE 14 1HG2 ILE 14 10.689 -1.920 3.280 93 2HG2 ILE 14 2HG2 ILE 14 9.190 -1.850 4.202 94 3HG2 ILE 14 3HG2 ILE 14 10.555 -2.784 4.812 95 1HD1 ILE 14 1HD1 ILE 14 12.137 1.916 3.249 96 2HD1 ILE 14 2HD1 ILE 14 12.827 0.781 4.412 97 3HD1 ILE 14 3HD1 ILE 14 11.857 2.144 4.975 98 H ASP 15 H ASP 15 8.696 1.770 6.100 99 HA ASP 15 HA ASP 15 6.169 0.455 5.342 100 1HB ASP 15 2HB ASP 15 6.096 1.365 7.641 101 2HB ASP 15 1HB ASP 15 6.486 2.961 7.008 102 H LEU 16 H LEU 16 5.285 1.078 3.499 103 HA LEU 16 HA LEU 16 6.507 3.216 1.966 104 1HB LEU 16 2HB LEU 16 4.922 0.844 1.427 105 2HB LEU 16 1HB LEU 16 4.272 2.227 0.582 106 HG LEU 16 HG LEU 16 5.832 2.088 -1.006 107 1HD1 LEU 16 1HD1 LEU 16 7.894 1.830 1.171 108 2HD1 LEU 16 2HD1 LEU 16 7.497 3.268 0.226 109 3HD1 LEU 16 3HD1 LEU 16 8.267 1.888 -0.550 110 1HD2 LEU 16 1HD2 LEU 16 5.351 -0.317 -0.548 111 2HD2 LEU 16 2HD2 LEU 16 6.843 -0.375 0.390 112 3HD2 LEU 16 3HD2 LEU 16 6.898 -0.010 -1.335 113 H ASP 17 H ASP 17 5.880 5.225 2.510 114 HA ASP 17 HA ASP 17 3.154 5.707 3.384 115 1HB ASP 17 2HB ASP 17 5.596 7.467 3.239 116 2HB ASP 17 1HB ASP 17 4.007 8.071 3.699 117 H ILE 18 H ILE 18 1.588 6.378 2.140 118 HA ILE 18 HA ILE 18 2.022 7.009 -0.632 119 HB ILE 18 HB ILE 18 -0.516 7.056 0.996 120 1HG1 ILE 18 2HG1 ILE 18 0.947 4.904 -0.464 121 2HG1 ILE 18 1HG1 ILE 18 0.131 4.829 1.084 122 1HG2 ILE 18 1HG2 ILE 18 -0.294 6.807 -1.989 123 2HG2 ILE 18 2HG2 ILE 18 -0.478 8.363 -1.181 124 3HG2 ILE 18 3HG2 ILE 18 -1.729 7.132 -1.019 125 1HD1 ILE 18 1HD1 ILE 18 -2.033 5.084 -0.185 126 2HD1 ILE 18 2HD1 ILE 18 -1.177 3.550 -0.352 127 3HD1 ILE 18 3HD1 ILE 18 -1.089 4.755 -1.638 128 HA PRO 19 HA PRO 19 2.511 11.406 0.188 129 1HB PRO 19 2HB PRO 19 2.087 11.588 -2.741 130 2HB PRO 19 1HB PRO 19 3.419 12.200 -1.755 131 1HG PRO 19 2HG PRO 19 3.749 10.068 -3.321 132 2HG PRO 19 1HG PRO 19 4.510 10.153 -1.721 133 1HD PRO 19 2HD PRO 19 2.065 8.659 -2.582 134 2HD PRO 19 1HD PRO 19 3.365 8.152 -1.486 135 H ASN 20 H ASN 20 1.043 12.835 0.762 136 HA ASN 20 HA ASN 20 -1.017 13.742 1.165 137 1HB ASN 20 2HB ASN 20 -0.570 13.941 -1.785 138 2HB ASN 20 1HB ASN 20 -2.068 14.550 -1.090 139 1HD2 ASN 20 1HD2 ASN 20 -1.604 15.873 1.007 140 2HD2 ASN 20 2HD2 ASN 20 -0.383 17.084 0.835 141 H PHE 21 H PHE 21 -1.697 11.390 1.797 142 HA PHE 21 HA PHE 21 -4.216 10.884 0.428 143 1HB PHE 21 2HB PHE 21 -3.024 9.208 -0.606 144 2HB PHE 21 1HB PHE 21 -1.955 8.962 0.765 145 HD1 PHE 21 1HD PHE 21 -5.548 8.621 -0.132 146 HD2 PHE 21 2HD PHE 21 -2.219 7.062 1.983 147 HE1 PHE 21 1HE PHE 21 -6.915 6.696 0.592 148 HE2 PHE 21 2HE PHE 21 -3.562 5.129 2.706 149 HZ PHE 21 HZ PHE 21 -5.917 4.946 2.007 150 H GLN 22 H GLN 22 -5.814 9.944 1.749 151 HA GLN 22 HA GLN 22 -5.157 9.480 4.555 152 1HB GLN 22 2HB GLN 22 -6.873 11.685 3.513 153 2HB GLN 22 1HB GLN 22 -7.366 10.884 4.999 154 1HG GLN 22 2HG GLN 22 -5.451 11.566 6.142 155 2HG GLN 22 1HG GLN 22 -4.592 11.957 4.653 156 1HE2 GLN 22 1HE2 GLN 22 -5.083 13.872 3.564 157 2HE2 GLN 22 2HE2 GLN 22 -5.912 15.175 4.339 158 H MET 23 H MET 23 -5.978 7.564 5.038 159 HA MET 23 HA MET 23 -8.124 6.419 3.491 160 1HB MET 23 2HB MET 23 -6.235 5.038 4.236 161 2HB MET 23 1HB MET 23 -6.663 5.350 5.913 162 1HG MET 23 2HG MET 23 -8.383 3.889 5.895 163 2HG MET 23 1HG MET 23 -8.780 4.206 4.207 164 1HE MET 23 1HE MET 23 -9.132 1.703 3.422 165 2HE MET 23 2HE MET 23 -9.094 1.387 5.157 166 3HE MET 23 3HE MET 23 -8.145 0.386 4.057 167 H THR 24 H THR 24 -9.732 8.044 4.077 168 HA THR 24 HA THR 24 -10.805 7.746 6.794 169 HB THR 24 HB THR 24 -12.304 9.724 5.700 170 HG1 THR 24 1HG THR 24 -11.226 10.816 4.222 171 1HG2 THR 24 1HG2 THR 24 -11.422 10.563 7.562 172 2HG2 THR 24 2HG2 THR 24 -10.147 11.179 6.510 173 3HG2 THR 24 3HG2 THR 24 -9.921 9.658 7.374 174 H ASP 25 H ASP 25 -13.395 8.310 6.557 175 HA ASP 25 HA ASP 25 -14.575 5.929 5.736 176 1HB ASP 25 2HB ASP 25 -15.593 8.628 6.484 177 2HB ASP 25 1HB ASP 25 -16.714 7.520 5.697 178 H ASP 26 H ASP 26 -13.938 8.864 3.959 179 HA ASP 26 HA ASP 26 -15.661 8.369 1.769 180 1HB ASP 26 2HB ASP 26 -13.208 10.080 2.123 181 2HB ASP 26 1HB ASP 26 -14.035 9.965 0.573 182 H ILE 27 H ILE 27 -12.552 7.130 2.657 183 HA ILE 27 HA ILE 27 -11.920 6.181 0.007 184 HB ILE 27 HB ILE 27 -10.580 5.740 2.676 185 1HG1 ILE 27 2HG1 ILE 27 -10.459 8.047 1.821 186 2HG1 ILE 27 1HG1 ILE 27 -8.887 7.271 1.801 187 1HG2 ILE 27 1HG2 ILE 27 -8.700 4.816 1.423 188 2HG2 ILE 27 2HG2 ILE 27 -9.628 4.943 -0.071 189 3HG2 ILE 27 3HG2 ILE 27 -10.155 3.845 1.206 190 1HD1 ILE 27 1HD1 ILE 27 -9.629 6.700 -0.677 191 2HD1 ILE 27 2HD1 ILE 27 -8.846 8.222 -0.249 192 3HD1 ILE 27 3HD1 ILE 27 -10.599 8.153 -0.437 193 H ASP 28 H ASP 28 -12.570 4.175 -0.789 194 HA ASP 28 HA ASP 28 -13.662 2.272 1.158 195 1HB ASP 28 2HB ASP 28 -14.729 3.303 -1.288 196 2HB ASP 28 1HB ASP 28 -14.488 1.569 -1.459 197 H GLU 29 H GLU 29 -11.677 2.501 -1.822 198 HA GLU 29 HA GLU 29 -10.686 -0.201 -1.109 199 1HB GLU 29 2HB GLU 29 -10.489 0.874 -3.906 200 2HB GLU 29 1HB GLU 29 -10.301 -0.767 -3.352 201 1HG GLU 29 2HG GLU 29 -12.329 -0.537 -4.560 202 2HG GLU 29 1HG GLU 29 -12.687 -0.871 -2.868 203 H VAL 30 H VAL 30 -8.511 -0.707 -1.655 204 HA VAL 30 HA VAL 30 -6.634 1.444 -2.130 205 HB VAL 30 HB VAL 30 -6.429 -0.128 0.444 206 1HG1 VAL 30 1HG1 VAL 30 -4.272 0.447 0.107 207 2HG1 VAL 30 2HG1 VAL 30 -4.811 1.999 0.747 208 3HG1 VAL 30 3HG1 VAL 30 -4.681 1.760 -0.995 209 1HG2 VAL 30 1HG2 VAL 30 -8.284 1.378 0.666 210 2HG2 VAL 30 2HG2 VAL 30 -7.347 2.706 -0.022 211 3HG2 VAL 30 3HG2 VAL 30 -6.916 2.046 1.556 212 H ARG 31 H ARG 31 -5.506 0.490 -3.738 213 HA ARG 31 HA ARG 31 -4.757 -2.339 -3.400 214 1HB ARG 31 2HB ARG 31 -4.533 -1.044 -6.069 215 2HB ARG 31 1HB ARG 31 -4.945 -2.699 -5.649 216 1HG ARG 31 2HG ARG 31 -7.055 -1.201 -4.645 217 2HG ARG 31 1HG ARG 31 -6.673 -0.449 -6.194 218 1HD ARG 31 2HD ARG 31 -6.822 -3.414 -6.059 219 2HD ARG 31 1HD ARG 31 -8.329 -2.504 -6.012 220 HE ARG 31 HE ARG 31 -6.481 -2.729 -8.248 221 1HH1 ARG 31 1HH1 ARG 31 -9.313 -1.180 -6.908 222 2HH1 ARG 31 2HH1 ARG 31 -9.897 -0.644 -8.446 223 1HH2 ARG 31 1HH2 ARG 31 -7.253 -2.019 -10.268 224 2HH2 ARG 31 2HH2 ARG 31 -8.729 -1.119 -10.352 225 H TRP 32 H TRP 32 -2.730 -2.924 -3.252 226 HA TRP 32 HA TRP 32 -0.618 -0.938 -3.783 227 1HB TRP 32 2HB TRP 32 -0.820 -3.181 -1.779 228 2HB TRP 32 1HB TRP 32 0.740 -2.526 -2.252 229 HD1 TRP 32 HD TRP 32 -2.379 -1.667 -0.229 230 HE1 TRP 32 1HE TRP 32 -1.890 0.416 1.203 231 HE3 TRP 32 3HE TRP 32 2.161 -0.385 -2.191 232 HZ2 TRP 32 2HZ TRP 32 0.156 2.354 1.462 233 HZ3 TRP 32 3HZ TRP 32 3.317 1.596 -1.300 234 HH2 TRP 32 HH TRP 32 2.334 2.934 0.489 235 H GLU 33 H GLU 33 -0.519 -1.492 -6.006 236 HA GLU 33 HA GLU 33 0.280 -4.252 -6.596 237 1HB GLU 33 2HB GLU 33 -0.584 -2.056 -8.480 238 2HB GLU 33 1HB GLU 33 -0.237 -3.720 -8.930 239 1HG GLU 33 2HG GLU 33 -2.121 -4.529 -7.747 240 2HG GLU 33 1HG GLU 33 -2.379 -2.971 -6.963 241 H ARG 34 H ARG 34 2.004 -4.712 -7.983 242 HA ARG 34 HA ARG 34 3.951 -2.619 -8.531 243 1HB ARG 34 2HB ARG 34 4.399 -3.706 -6.237 244 2HB ARG 34 1HB ARG 34 4.841 -5.144 -7.148 245 1HG ARG 34 2HG ARG 34 6.303 -3.210 -8.403 246 2HG ARG 34 1HG ARG 34 6.314 -2.659 -6.726 247 1HD ARG 34 2HD ARG 34 7.580 -4.392 -6.027 248 2HD ARG 34 1HD ARG 34 6.802 -5.536 -7.120 249 HE ARG 34 HE ARG 34 8.510 -3.642 -8.448 250 1HH1 ARG 34 1HH1 ARG 34 8.377 -6.719 -6.805 251 2HH1 ARG 34 2HH1 ARG 34 9.806 -7.331 -7.570 252 1HH2 ARG 34 1HH2 ARG 34 10.389 -4.445 -9.454 253 2HH2 ARG 34 2HH2 ARG 34 10.948 -6.040 -9.074 254 H GLY 35 H GLY 35 4.396 -2.855 -10.633 255 1HA GLY 35 2HA GLY 35 4.787 -3.842 -12.678 256 2HA GLY 35 1HA GLY 35 5.441 -5.194 -11.769 257 H SER 36 H SER 36 4.489 -7.046 -12.141 258 HA SER 36 HA SER 36 1.652 -7.048 -12.940 259 1HB SER 36 2HB SER 36 3.952 -8.790 -13.811 260 2HB SER 36 1HB SER 36 2.278 -9.309 -14.010 261 HG SER 36 HG SER 36 3.248 -6.828 -14.974 262 H THR 37 H THR 37 2.304 -7.017 -10.245 263 HA THR 37 HA THR 37 1.213 -9.582 -9.408 264 HB THR 37 HB THR 37 3.823 -8.495 -8.334 265 HG1 THR 37 1HG THR 37 3.245 -10.940 -9.647 266 1HG2 THR 37 1HG2 THR 37 3.908 -10.564 -6.988 267 2HG2 THR 37 2HG2 THR 37 2.229 -10.877 -7.425 268 3HG2 THR 37 3HG2 THR 37 2.643 -9.444 -6.482 269 H LEU 38 H LEU 38 0.481 -9.558 -7.146 270 HA LEU 38 HA LEU 38 -0.271 -6.826 -6.305 271 1HB LEU 38 2HB LEU 38 -1.681 -9.429 -6.209 272 2HB LEU 38 1HB LEU 38 -1.841 -8.424 -4.791 273 HG LEU 38 HG LEU 38 -2.513 -7.414 -7.551 274 1HD1 LEU 38 1HD1 LEU 38 -4.886 -7.809 -6.264 275 2HD1 LEU 38 2HD1 LEU 38 -3.963 -9.232 -5.778 276 3HD1 LEU 38 3HD1 LEU 38 -4.205 -8.878 -7.491 277 1HD2 LEU 38 1HD2 LEU 38 -3.726 -6.415 -5.037 278 2HD2 LEU 38 2HD2 LEU 38 -3.317 -5.554 -6.520 279 3HD2 LEU 38 3HD2 LEU 38 -2.051 -5.973 -5.365 280 H VAL 39 H VAL 39 -0.052 -6.234 -4.146 281 HA VAL 39 HA VAL 39 1.676 -8.005 -2.557 282 HB VAL 39 HB VAL 39 1.726 -4.994 -2.804 283 1HG1 VAL 39 1HG1 VAL 39 3.518 -5.036 -1.104 284 2HG1 VAL 39 2HG1 VAL 39 3.168 -6.742 -0.816 285 3HG1 VAL 39 3HG1 VAL 39 1.946 -5.519 -0.466 286 1HG2 VAL 39 1HG2 VAL 39 3.858 -5.242 -3.737 287 2HG2 VAL 39 2HG2 VAL 39 2.943 -6.572 -4.452 288 3HG2 VAL 39 3HG2 VAL 39 4.043 -6.880 -3.108 289 H ALA 40 H ALA 40 -0.790 -5.478 -2.469 290 HA ALA 40 HA ALA 40 -2.159 -6.774 -0.309 291 1HB ALA 40 1HB ALA 40 -0.865 -4.108 0.240 292 2HB ALA 40 2HB ALA 40 -0.436 -5.649 0.982 293 3HB ALA 40 3HB ALA 40 -2.015 -4.928 1.295 294 H GLU 41 H GLU 41 -4.168 -6.645 -1.026 295 HA GLU 41 HA GLU 41 -5.123 -4.073 -2.097 296 1HB GLU 41 2HB GLU 41 -5.139 -6.649 -3.302 297 2HB GLU 41 1HB GLU 41 -6.808 -6.214 -2.954 298 1HG GLU 41 2HG GLU 41 -6.638 -4.221 -4.236 299 2HG GLU 41 1HG GLU 41 -4.895 -4.415 -4.410 300 H PHE 42 H PHE 42 -6.442 -3.108 -0.717 301 HA PHE 42 HA PHE 42 -8.123 -4.756 1.037 302 1HB PHE 42 2HB PHE 42 -6.661 -3.316 2.288 303 2HB PHE 42 1HB PHE 42 -7.115 -1.921 1.317 304 HD1 PHE 42 1HD PHE 42 -7.948 -3.989 4.155 305 HD2 PHE 42 2HD PHE 42 -9.393 -0.964 1.532 306 HE1 PHE 42 1HE PHE 42 -9.723 -3.441 5.771 307 HE2 PHE 42 2HE PHE 42 -11.169 -0.410 3.144 308 HZ PHE 42 HZ PHE 42 -11.335 -1.650 5.266 309 H LYS 43 H LYS 43 -10.311 -4.378 1.199 310 HA LYS 43 HA LYS 43 -11.516 -2.308 -0.467 311 1HB LYS 43 2HB LYS 43 -11.271 -4.746 -1.564 312 2HB LYS 43 1HB LYS 43 -12.766 -4.995 -0.672 313 1HG LYS 43 2HG LYS 43 -13.779 -3.097 -1.816 314 2HG LYS 43 1HG LYS 43 -12.274 -2.819 -2.695 315 1HD LYS 43 2HD LYS 43 -13.685 -5.464 -2.819 316 2HD LYS 43 1HD LYS 43 -14.152 -4.127 -3.872 317 1HE LYS 43 2HE LYS 43 -11.413 -5.376 -3.677 318 2HE LYS 43 1HE LYS 43 -12.568 -5.601 -4.989 319 1HZ LYS 43 1HZ LYS 43 -11.074 -3.985 -5.739 320 2HZ LYS 43 2HZ LYS 43 -11.076 -3.150 -4.268 321 3HZ LYS 43 3HZ LYS 43 -12.439 -3.103 -5.268 322 H ARG 44 H ARG 44 -13.315 -1.443 0.436 323 HA ARG 44 HA ARG 44 -13.919 -1.775 3.070 324 1HB ARG 44 2HB ARG 44 -14.700 0.144 1.813 325 2HB ARG 44 1HB ARG 44 -15.778 -0.884 0.880 326 1HG ARG 44 2HG ARG 44 -17.067 0.286 2.513 327 2HG ARG 44 1HG ARG 44 -16.998 -1.415 2.977 328 1HD ARG 44 2HD ARG 44 -16.661 -0.102 4.944 329 2HD ARG 44 1HD ARG 44 -15.119 -0.844 4.514 330 HE ARG 44 HE ARG 44 -14.993 1.575 3.313 331 1HH1 ARG 44 1HH1 ARG 44 -15.713 0.570 6.576 332 2HH1 ARG 44 2HH1 ARG 44 -15.084 2.014 7.293 333 1HH2 ARG 44 1HH2 ARG 44 -14.165 3.476 4.254 334 2HH2 ARG 44 2HH2 ARG 44 -14.205 3.665 5.975 335 H LYS 45 H LYS 45 -14.991 -3.651 0.458 336 HA LYS 45 HA LYS 45 -17.051 -5.027 1.940 337 1HB LYS 45 2HB LYS 45 -16.741 -4.589 -0.697 338 2HB LYS 45 1HB LYS 45 -16.014 -6.186 -0.586 339 1HG LYS 45 2HG LYS 45 -17.983 -7.206 -0.143 340 2HG LYS 45 1HG LYS 45 -18.627 -5.823 0.745 341 1HD LYS 45 2HD LYS 45 -18.183 -5.457 -2.159 342 2HD LYS 45 1HD LYS 45 -19.498 -6.533 -1.686 343 1HE LYS 45 2HE LYS 45 -20.741 -4.851 -0.811 344 2HE LYS 45 1HE LYS 45 -19.330 -3.952 -0.257 345 1HZ LYS 45 1HZ LYS 45 -19.681 -4.135 -3.137 346 2HZ LYS 45 2HZ LYS 45 -19.177 -2.828 -2.188 347 3HZ LYS 45 3HZ LYS 45 -20.823 -3.196 -2.312 348 H MET 46 H MET 46 -14.548 -5.136 3.202 349 HA MET 46 HA MET 46 -12.915 -6.562 4.016 350 1HB MET 46 2HB MET 46 -15.391 -7.325 4.752 351 2HB MET 46 1HB MET 46 -14.854 -8.795 3.959 352 1HG MET 46 2HG MET 46 -13.452 -9.323 5.615 353 2HG MET 46 1HG MET 46 -12.890 -7.663 5.799 354 1HE MET 46 1HE MET 46 -15.579 -10.358 7.134 355 2HE MET 46 2HE MET 46 -16.333 -9.340 5.906 356 3HE MET 46 3HE MET 46 -16.837 -9.210 7.591 357 H LYS 47 H LYS 47 -12.553 -9.299 3.837 358 HA LYS 47 HA LYS 47 -11.424 -10.839 2.596 359 1HB LYS 47 2HB LYS 47 -13.736 -10.025 0.932 360 2HB LYS 47 1HB LYS 47 -12.468 -10.931 0.117 361 1HG LYS 47 2HG LYS 47 -12.934 -12.845 1.222 362 2HG LYS 47 1HG LYS 47 -13.395 -12.007 2.706 363 1HD LYS 47 2HD LYS 47 -15.429 -11.209 1.263 364 2HD LYS 47 1HD LYS 47 -15.026 -12.618 0.280 365 1HE LYS 47 2HE LYS 47 -15.831 -12.528 3.174 366 2HE LYS 47 1HE LYS 47 -16.638 -13.352 1.841 367 1HZ LYS 47 1HZ LYS 47 -14.521 -14.714 1.676 368 2HZ LYS 47 2HZ LYS 47 -15.521 -15.020 3.005 369 3HZ LYS 47 3HZ LYS 47 -14.118 -14.096 3.198 370 HA PRO 48 HA PRO 48 -8.930 -7.618 0.317 371 1HB PRO 48 2HB PRO 48 -6.827 -7.455 1.971 372 2HB PRO 48 1HB PRO 48 -8.309 -6.538 2.268 373 1HG PRO 48 2HG PRO 48 -7.363 -9.075 3.535 374 2HG PRO 48 1HG PRO 48 -8.152 -7.675 4.284 375 1HD PRO 48 2HD PRO 48 -9.448 -10.007 3.589 376 2HD PRO 48 1HD PRO 48 -10.244 -8.432 3.762 377 H PHE 49 H PHE 49 -6.304 -7.903 0.024 378 HA PHE 49 HA PHE 49 -5.784 -10.765 -0.380 379 1HB PHE 49 2HB PHE 49 -6.470 -9.979 -2.549 380 2HB PHE 49 1HB PHE 49 -5.399 -8.585 -2.439 381 HD1 PHE 49 1HD PHE 49 -3.055 -8.773 -2.929 382 HD2 PHE 49 2HD PHE 49 -5.544 -12.229 -2.899 383 HE1 PHE 49 1HE PHE 49 -1.252 -10.070 -3.973 384 HE2 PHE 49 2HE PHE 49 -3.746 -13.531 -3.958 385 HZ PHE 49 HZ PHE 49 -1.595 -12.455 -4.492 386 H LEU 50 H LEU 50 -4.244 -10.994 1.172 387 HA LEU 50 HA LEU 50 -1.996 -9.131 1.206 388 1HB LEU 50 2HB LEU 50 -3.137 -11.124 3.094 389 2HB LEU 50 1HB LEU 50 -1.407 -10.866 3.160 390 HG LEU 50 HG LEU 50 -3.554 -8.790 3.590 391 1HD1 LEU 50 1HD1 LEU 50 -3.379 -10.036 5.554 392 2HD1 LEU 50 2HD1 LEU 50 -2.325 -8.646 5.829 393 3HD1 LEU 50 3HD1 LEU 50 -1.631 -10.211 5.398 394 1HD2 LEU 50 1HD2 LEU 50 -0.740 -8.521 2.869 395 2HD2 LEU 50 2HD2 LEU 50 -1.179 -7.648 4.340 396 3HD2 LEU 50 3HD2 LEU 50 -2.041 -7.332 2.832 397 H LYS 51 H LYS 51 -0.392 -9.594 -0.177 398 HA LYS 51 HA LYS 51 -0.009 -11.659 -1.812 399 1HB LYS 51 2HB LYS 51 1.453 -9.795 -1.921 400 2HB LYS 51 1HB LYS 51 2.123 -10.130 -0.331 401 1HG LYS 51 2HG LYS 51 3.345 -11.973 -1.115 402 2HG LYS 51 1HG LYS 51 2.416 -12.055 -2.613 403 1HD LYS 51 2HD LYS 51 3.363 -9.645 -2.985 404 2HD LYS 51 1HD LYS 51 4.588 -10.161 -1.824 405 1HE LYS 51 2HE LYS 51 4.001 -12.068 -3.992 406 2HE LYS 51 1HE LYS 51 4.760 -10.558 -4.493 407 1HZ LYS 51 1HZ LYS 51 6.457 -12.143 -4.013 408 2HZ LYS 51 2HZ LYS 51 5.795 -12.494 -2.497 409 3HZ LYS 51 3HZ LYS 51 6.484 -10.977 -2.787 410 H SER 52 H SER 52 2.422 -11.819 0.751 411 HA SER 52 HA SER 52 1.736 -14.671 1.059 412 1HB SER 52 2HB SER 52 3.898 -14.127 -0.159 413 2HB SER 52 1HB SER 52 4.505 -13.516 1.380 414 HG SER 52 HG SER 52 4.022 -15.625 2.248 415 H GLY 53 H GLY 53 0.936 -12.258 2.691 416 1HA GLY 53 2HA GLY 53 0.458 -11.968 4.930 417 2HA GLY 53 1HA GLY 53 1.251 -13.505 5.245 418 H ALA 54 H ALA 54 3.477 -11.684 3.555 419 HA ALA 54 HA ALA 54 4.926 -11.089 5.993 420 1HB ALA 54 1HB ALA 54 5.914 -10.418 3.250 421 2HB ALA 54 2HB ALA 54 5.871 -12.095 3.796 422 3HB ALA 54 3HB ALA 54 6.826 -10.905 4.680 423 H PHE 55 H PHE 55 2.542 -9.520 4.541 424 HA PHE 55 HA PHE 55 3.686 -6.866 5.095 425 1HB PHE 55 2HB PHE 55 1.603 -7.496 3.004 426 2HB PHE 55 1HB PHE 55 2.356 -5.934 3.305 427 HD1 PHE 55 1HD PHE 55 4.605 -5.488 2.591 428 HD2 PHE 55 2HD PHE 55 2.779 -9.246 1.824 429 HE1 PHE 55 1HE PHE 55 6.360 -5.992 0.946 430 HE2 PHE 55 2HE PHE 55 4.534 -9.767 0.177 431 HZ PHE 55 HZ PHE 55 6.329 -8.139 -0.262 432 H GLU 56 H GLU 56 2.132 -5.261 5.783 433 HA GLU 56 HA GLU 56 -0.401 -6.309 6.794 434 1HB GLU 56 2HB GLU 56 1.640 -6.220 8.514 435 2HB GLU 56 1HB GLU 56 1.142 -4.538 8.627 436 1HG GLU 56 2HG GLU 56 -1.053 -6.464 8.814 437 2HG GLU 56 1HG GLU 56 0.133 -6.572 10.114 438 H ILE 57 H ILE 57 -1.948 -5.020 6.087 439 HA ILE 57 HA ILE 57 -1.361 -2.412 5.052 440 HB ILE 57 HB ILE 57 -3.064 -3.860 4.014 441 1HG1 ILE 57 2HG1 ILE 57 -4.586 -1.477 4.969 442 2HG1 ILE 57 1HG1 ILE 57 -3.065 -1.210 4.122 443 1HG2 ILE 57 1HG2 ILE 57 -5.241 -3.266 5.814 444 2HG2 ILE 57 2HG2 ILE 57 -3.987 -4.209 6.616 445 3HG2 ILE 57 3HG2 ILE 57 -4.730 -4.811 5.135 446 1HD1 ILE 57 1HD1 ILE 57 -5.560 -1.583 2.989 447 2HD1 ILE 57 2HD1 ILE 57 -4.727 -3.116 2.732 448 3HD1 ILE 57 3HD1 ILE 57 -4.005 -1.613 2.157 449 H LEU 58 H LEU 58 -0.829 -0.910 6.524 450 HA LEU 58 HA LEU 58 -1.703 -0.682 9.136 451 1HB LEU 58 2HB LEU 58 -0.217 0.910 7.272 452 2HB LEU 58 1HB LEU 58 -1.311 1.947 8.166 453 HG LEU 58 HG LEU 58 -0.333 1.343 10.252 454 1HD1 LEU 58 1HD1 LEU 58 1.689 -0.275 10.162 455 2HD1 LEU 58 2HD1 LEU 58 0.936 -0.860 8.678 456 3HD1 LEU 58 3HD1 LEU 58 0.055 -0.936 10.203 457 1HD2 LEU 58 1HD2 LEU 58 1.017 2.999 9.443 458 2HD2 LEU 58 2HD2 LEU 58 1.516 2.058 8.037 459 3HD2 LEU 58 3HD2 LEU 58 2.203 1.706 9.622 460 H ALA 59 H ALA 59 -3.077 1.036 10.087 461 HA ALA 59 HA ALA 59 -5.711 0.875 9.053 462 1HB ALA 59 1HB ALA 59 -5.070 2.944 11.073 463 2HB ALA 59 2HB ALA 59 -4.757 1.261 11.503 464 3HB ALA 59 3HB ALA 59 -6.380 1.764 11.030 465 H ASN 60 H ASN 60 -3.142 3.128 8.551 466 HA ASN 60 HA ASN 60 -4.985 5.142 7.500 467 1HB ASN 60 2HB ASN 60 -2.829 6.491 7.233 468 2HB ASN 60 1HB ASN 60 -3.360 6.152 8.876 469 1HD2 ASN 60 1HD2 ASN 60 -2.282 4.488 10.052 470 2HD2 ASN 60 2HD2 ASN 60 -0.650 4.071 9.670 471 H GLY 61 H GLY 61 -4.646 2.633 6.112 472 1HA GLY 61 2HA GLY 61 -4.367 1.858 3.968 473 2HA GLY 61 1HA GLY 61 -4.451 3.543 3.483 474 H ASP 62 H ASP 62 -1.980 2.121 5.560 475 HA ASP 62 HA ASP 62 0.006 2.805 3.499 476 1HB ASP 62 2HB ASP 62 -0.107 3.372 6.298 477 2HB ASP 62 1HB ASP 62 1.275 2.325 6.003 478 H LEU 63 H LEU 63 2.028 1.444 3.575 479 HA LEU 63 HA LEU 63 1.241 -1.410 3.804 480 1HB LEU 63 2HB LEU 63 1.949 -0.407 1.565 481 2HB LEU 63 1HB LEU 63 3.563 -0.293 2.240 482 HG LEU 63 HG LEU 63 3.328 -2.826 2.687 483 1HD1 LEU 63 1HD1 LEU 63 0.820 -2.631 2.010 484 2HD1 LEU 63 2HD1 LEU 63 1.759 -4.044 1.525 485 3HD1 LEU 63 3HD1 LEU 63 1.453 -2.747 0.367 486 1HD2 LEU 63 1HD2 LEU 63 4.945 -2.293 1.157 487 2HD2 LEU 63 2HD2 LEU 63 3.825 -1.421 0.113 488 3HD2 LEU 63 3HD2 LEU 63 3.819 -3.183 0.133 489 H LYS 64 H LYS 64 2.125 -2.537 5.431 490 HA LYS 64 HA LYS 64 4.633 -1.538 6.606 491 1HB LYS 64 2HB LYS 64 2.716 -1.573 8.145 492 2HB LYS 64 1HB LYS 64 2.503 -3.291 7.845 493 1HG LYS 64 2HG LYS 64 5.180 -2.489 8.761 494 2HG LYS 64 1HG LYS 64 3.873 -2.278 9.927 495 1HD LYS 64 2HD LYS 64 3.212 -4.645 9.515 496 2HD LYS 64 1HD LYS 64 4.645 -4.821 8.499 497 1HE LYS 64 2HE LYS 64 6.069 -4.815 10.269 498 2HE LYS 64 1HE LYS 64 5.057 -3.727 11.218 499 1HZ LYS 64 1HZ LYS 64 5.182 -6.014 12.109 500 2HZ LYS 64 2HZ LYS 64 4.413 -6.581 10.714 501 3HZ LYS 64 3HZ LYS 64 3.602 -5.525 11.756 502 H ILE 65 H ILE 65 6.273 -2.599 5.641 503 HA ILE 65 HA ILE 65 6.036 -5.366 4.848 504 HB ILE 65 HB ILE 65 8.627 -3.860 4.957 505 1HG1 ILE 65 2HG1 ILE 65 6.374 -3.518 2.967 506 2HG1 ILE 65 1HG1 ILE 65 7.193 -2.275 3.898 507 1HG2 ILE 65 1HG2 ILE 65 9.281 -5.807 4.093 508 2HG2 ILE 65 2HG2 ILE 65 8.484 -5.289 2.611 509 3HG2 ILE 65 3HG2 ILE 65 7.627 -6.314 3.760 510 1HD1 ILE 65 1HD1 ILE 65 7.805 -3.275 1.295 511 2HD1 ILE 65 2HD1 ILE 65 9.181 -3.527 2.371 512 3HD1 ILE 65 3HD1 ILE 65 8.507 -1.911 2.167 513 H LYS 66 H LYS 66 6.765 -7.138 5.921 514 HA LYS 66 HA LYS 66 7.503 -6.828 8.679 515 1HB LYS 66 2HB LYS 66 5.981 -8.613 8.021 516 2HB LYS 66 1HB LYS 66 7.222 -9.309 6.987 517 1HG LYS 66 2HG LYS 66 8.487 -9.213 9.405 518 2HG LYS 66 1HG LYS 66 6.818 -9.552 9.868 519 1HD LYS 66 2HD LYS 66 6.784 -11.446 8.303 520 2HD LYS 66 1HD LYS 66 8.463 -11.113 7.877 521 1HE LYS 66 2HE LYS 66 7.531 -11.732 10.674 522 2HE LYS 66 1HE LYS 66 8.140 -12.948 9.554 523 1HZ LYS 66 1HZ LYS 66 9.689 -11.679 11.272 524 2HZ LYS 66 2HZ LYS 66 9.814 -10.601 9.974 525 3HZ LYS 66 3HZ LYS 66 10.253 -12.223 9.772 526 H ASN 67 H ASN 67 9.065 -8.180 5.834 527 HA ASN 67 HA ASN 67 11.669 -7.547 6.953 528 1HB ASN 67 2HB ASN 67 10.604 -10.216 6.911 529 2HB ASN 67 1HB ASN 67 11.978 -10.123 5.816 530 1HD2 ASN 67 1HD2 ASN 67 13.206 -11.443 7.163 531 2HD2 ASN 67 2HD2 ASN 67 13.881 -10.862 8.643 532 H LEU 68 H LEU 68 12.566 -6.356 5.420 533 HA LEU 68 HA LEU 68 11.760 -6.155 2.796 534 1HB LEU 68 2HB LEU 68 14.329 -5.503 4.186 535 2HB LEU 68 1HB LEU 68 14.150 -5.233 2.462 536 HG LEU 68 HG LEU 68 12.039 -4.139 4.225 537 1HD1 LEU 68 1HD1 LEU 68 13.382 -2.115 4.655 538 2HD1 LEU 68 2HD1 LEU 68 14.798 -2.944 4.012 539 3HD1 LEU 68 3HD1 LEU 68 14.017 -3.539 5.476 540 1HD2 LEU 68 1HD2 LEU 68 13.110 -3.746 1.557 541 2HD2 LEU 68 2HD2 LEU 68 12.845 -2.233 2.421 542 3HD2 LEU 68 3HD2 LEU 68 11.515 -3.372 2.206 543 H THR 69 H THR 69 12.569 -6.862 0.845 544 HA THR 69 HA THR 69 14.545 -8.985 0.776 545 HB THR 69 HB THR 69 12.870 -10.405 -0.600 546 HG1 THR 69 1HG THR 69 10.711 -10.110 0.107 547 1HG2 THR 69 1HG2 THR 69 13.688 -11.194 1.518 548 2HG2 THR 69 2HG2 THR 69 11.954 -11.494 1.398 549 3HG2 THR 69 3HG2 THR 69 12.553 -10.156 2.378 550 H ARG 70 H ARG 70 15.113 -9.617 -1.435 551 HA ARG 70 HA ARG 70 15.645 -7.463 -3.092 552 1HB ARG 70 2HB ARG 70 15.260 -10.222 -4.228 553 2HB ARG 70 1HB ARG 70 16.426 -8.996 -4.696 554 1HG ARG 70 2HG ARG 70 17.938 -9.970 -3.409 555 2HG ARG 70 1HG ARG 70 16.946 -9.632 -1.990 556 1HD ARG 70 2HD ARG 70 16.915 -12.090 -3.728 557 2HD ARG 70 1HD ARG 70 17.365 -11.974 -2.028 558 HE ARG 70 HE ARG 70 14.656 -11.172 -2.579 559 1HH1 ARG 70 1HH1 ARG 70 16.759 -13.857 -1.839 560 2HH1 ARG 70 2HH1 ARG 70 15.489 -14.829 -1.176 561 1HH2 ARG 70 1HH2 ARG 70 12.986 -12.451 -1.709 562 2HH2 ARG 70 2HH2 ARG 70 13.348 -14.032 -1.103 563 H ASP 71 H ASP 71 13.134 -9.939 -3.634 564 HA ASP 71 HA ASP 71 11.970 -8.798 -5.879 565 1HB ASP 71 2HB ASP 71 11.447 -11.064 -5.082 566 2HB ASP 71 1HB ASP 71 10.602 -10.384 -3.694 567 H ASP 72 H ASP 72 11.843 -7.740 -2.598 568 HA ASP 72 HA ASP 72 9.411 -6.227 -2.910 569 1HB ASP 72 2HB ASP 72 10.761 -7.195 -0.734 570 2HB ASP 72 1HB ASP 72 11.186 -5.486 -0.687 571 H SER 73 H SER 73 12.684 -5.744 -3.722 572 HA SER 73 HA SER 73 12.683 -2.876 -3.459 573 1HB SER 73 2HB SER 73 14.739 -4.420 -3.395 574 2HB SER 73 1HB SER 73 14.594 -4.486 -5.151 575 HG SER 73 HG SER 73 14.673 -2.022 -3.778 576 H GLY 74 H GLY 74 11.977 -1.413 -4.919 577 1HA GLY 74 2HA GLY 74 12.147 -1.242 -7.545 578 2HA GLY 74 1HA GLY 74 10.855 -2.426 -7.397 579 H THR 75 H THR 75 9.743 -0.706 -8.608 580 HA THR 75 HA THR 75 8.888 1.630 -7.060 581 HB THR 75 HB THR 75 7.751 0.981 -9.732 582 HG1 THR 75 1HG THR 75 10.453 1.746 -9.350 583 1HG2 THR 75 1HG2 THR 75 7.693 3.223 -10.067 584 2HG2 THR 75 2HG2 THR 75 9.114 3.521 -9.067 585 3HG2 THR 75 3HG2 THR 75 7.560 3.176 -8.310 586 H TYR 76 H TYR 76 7.060 1.681 -5.923 587 HA TYR 76 HA TYR 76 5.094 -0.470 -6.297 588 1HB TYR 76 2HB TYR 76 5.701 1.363 -3.980 589 2HB TYR 76 1HB TYR 76 4.202 0.446 -4.063 590 HD1 TYR 76 1HD TYR 76 4.149 -1.610 -3.012 591 HD2 TYR 76 2HD TYR 76 7.880 -0.111 -4.395 592 HE1 TYR 76 1HE TYR 76 5.292 -3.550 -2.017 593 HE2 TYR 76 2HE TYR 76 9.032 -2.041 -3.400 594 HH TYR 76 HH TYR 76 8.661 -4.196 -2.590 595 H ASN 77 H ASN 77 2.868 0.015 -6.492 596 HA ASN 77 HA ASN 77 2.242 2.821 -7.112 597 1HB ASN 77 2HB ASN 77 1.931 0.408 -8.816 598 2HB ASN 77 1HB ASN 77 0.625 1.587 -8.857 599 1HD2 ASN 77 1HD2 ASN 77 3.744 0.798 -9.917 600 2HD2 ASN 77 2HD2 ASN 77 4.083 2.258 -10.776 601 H VAL 78 H VAL 78 0.573 3.556 -5.971 602 HA VAL 78 HA VAL 78 -1.326 1.596 -4.870 603 HB VAL 78 HB VAL 78 -1.426 4.334 -3.780 604 1HG1 VAL 78 1HG1 VAL 78 -1.135 2.163 -1.901 605 2HG1 VAL 78 2HG1 VAL 78 -2.362 1.805 -3.115 606 3HG1 VAL 78 3HG1 VAL 78 -2.486 3.270 -2.147 607 1HG2 VAL 78 1HG2 VAL 78 0.874 4.405 -3.688 608 2HG2 VAL 78 2HG2 VAL 78 1.036 2.655 -3.526 609 3HG2 VAL 78 3HG2 VAL 78 0.492 3.624 -2.153 610 H THR 79 H THR 79 -3.385 1.644 -5.496 611 HA THR 79 HA THR 79 -4.326 3.986 -7.012 612 HB THR 79 HB THR 79 -5.922 1.598 -7.425 613 HG1 THR 79 1HG THR 79 -4.415 0.190 -7.704 614 1HG2 THR 79 1HG2 THR 79 -4.361 2.525 -9.685 615 2HG2 THR 79 2HG2 THR 79 -5.232 3.826 -8.872 616 3HG2 THR 79 3HG2 THR 79 -6.110 2.420 -9.475 617 H VAL 80 H VAL 80 -5.292 5.144 -5.437 618 HA VAL 80 HA VAL 80 -7.012 3.861 -3.486 619 HB VAL 80 HB VAL 80 -6.297 6.771 -3.901 620 1HG1 VAL 80 1HG1 VAL 80 -8.530 6.498 -2.880 621 2HG1 VAL 80 2HG1 VAL 80 -7.359 7.237 -1.787 622 3HG1 VAL 80 3HG1 VAL 80 -7.797 5.537 -1.596 623 1HG2 VAL 80 1HG2 VAL 80 -5.480 5.522 -1.408 624 2HG2 VAL 80 2HG2 VAL 80 -4.534 6.452 -2.568 625 3HG2 VAL 80 3HG2 VAL 80 -4.777 4.724 -2.816 626 H TYR 81 H TYR 81 -9.188 3.934 -3.412 627 HA TYR 81 HA TYR 81 -10.602 5.429 -5.498 628 1HB TYR 81 2HB TYR 81 -11.025 2.569 -4.718 629 2HB TYR 81 1HB TYR 81 -12.182 3.483 -5.644 630 HD1 TYR 81 1HD TYR 81 -11.425 4.435 -7.899 631 HD2 TYR 81 2HD TYR 81 -9.223 1.499 -5.755 632 HE1 TYR 81 1HE TYR 81 -10.224 3.840 -9.962 633 HE2 TYR 81 2HE TYR 81 -8.013 0.894 -7.810 634 HH TYR 81 HH TYR 81 -8.045 2.792 -10.587 635 H SER 82 H SER 82 -12.723 5.932 -5.071 636 HA SER 82 HA SER 82 -13.294 6.452 -2.277 637 1HB SER 82 2HB SER 82 -15.407 7.429 -3.845 638 2HB SER 82 1HB SER 82 -14.070 8.349 -3.158 639 HG SER 82 HG SER 82 -14.304 8.550 -5.470 640 H THR 83 H THR 83 -15.837 6.431 -1.869 641 HA THR 83 HA THR 83 -16.573 3.710 -1.672 642 HB THR 83 HB THR 83 -18.766 4.618 -0.866 643 HG1 THR 83 1HG THR 83 -17.556 7.152 -1.215 644 1HG2 THR 83 1HG2 THR 83 -16.625 4.440 0.575 645 2HG2 THR 83 2HG2 THR 83 -18.009 5.353 1.176 646 3HG2 THR 83 3HG2 THR 83 -16.628 6.200 0.481 647 H ASN 84 H ASN 84 -17.434 6.271 -3.915 648 HA ASN 84 HA ASN 84 -19.503 4.750 -5.200 649 1HB ASN 84 2HB ASN 84 -18.110 7.332 -5.902 650 2HB ASN 84 1HB ASN 84 -19.351 6.613 -6.923 651 1HD2 ASN 84 1HD2 ASN 84 -18.679 8.063 -3.820 652 2HD2 ASN 84 2HD2 ASN 84 -20.315 8.459 -3.432 653 H GLY 85 H GLY 85 -16.209 4.435 -5.236 654 1HA GLY 85 2HA GLY 85 -14.978 2.928 -6.519 655 2HA GLY 85 1HA GLY 85 -16.316 2.839 -7.655 656 H THR 86 H THR 86 -15.099 5.937 -6.679 657 HA THR 86 HA THR 86 -14.169 6.389 -9.412 658 HB THR 86 HB THR 86 -14.119 8.635 -7.500 659 HG1 THR 86 1HG THR 86 -16.126 8.554 -6.920 660 1HG2 THR 86 1HG2 THR 86 -15.770 9.379 -9.495 661 2HG2 THR 86 2HG2 THR 86 -14.782 8.172 -10.319 662 3HG2 THR 86 3HG2 THR 86 -14.015 9.555 -9.537 663 H ARG 87 H ARG 87 -12.166 7.612 -9.756 664 HA ARG 87 HA ARG 87 -10.027 6.494 -8.188 665 1HB ARG 87 2HB ARG 87 -9.483 8.592 -10.228 666 2HB ARG 87 1HB ARG 87 -8.618 7.099 -9.895 667 1HG ARG 87 2HG ARG 87 -11.024 6.182 -10.822 668 2HG ARG 87 1HG ARG 87 -10.775 7.641 -11.782 669 1HD ARG 87 2HD ARG 87 -8.348 6.074 -11.560 670 2HD ARG 87 1HD ARG 87 -9.673 5.131 -12.241 671 HE ARG 87 HE ARG 87 -9.588 6.425 -14.132 672 1HH1 ARG 87 1HH1 ARG 87 -7.730 7.966 -11.610 673 2HH1 ARG 87 2HH1 ARG 87 -7.055 9.160 -12.666 674 1HH2 ARG 87 1HH2 ARG 87 -8.700 7.994 -15.522 675 2HH2 ARG 87 2HH2 ARG 87 -7.605 9.177 -14.887 676 H ILE 88 H ILE 88 -9.642 7.351 -6.254 677 HA ILE 88 HA ILE 88 -9.990 10.192 -5.784 678 HB ILE 88 HB ILE 88 -9.144 7.975 -3.918 679 1HG1 ILE 88 2HG1 ILE 88 -11.476 7.836 -4.745 680 2HG1 ILE 88 1HG1 ILE 88 -11.394 8.150 -3.014 681 1HG2 ILE 88 1HG2 ILE 88 -9.108 10.864 -3.611 682 2HG2 ILE 88 2HG2 ILE 88 -8.392 9.610 -2.598 683 3HG2 ILE 88 3HG2 ILE 88 -10.083 10.064 -2.379 684 1HD1 ILE 88 1HD1 ILE 88 -12.772 9.847 -3.343 685 2HD1 ILE 88 2HD1 ILE 88 -12.646 9.678 -5.093 686 3HD1 ILE 88 3HD1 ILE 88 -11.475 10.664 -4.216 687 H LEU 89 H LEU 89 -7.337 7.821 -5.765 688 HA LEU 89 HA LEU 89 -5.461 9.913 -6.408 689 1HB LEU 89 2HB LEU 89 -5.402 10.265 -4.081 690 2HB LEU 89 1HB LEU 89 -5.441 8.547 -3.734 691 HG LEU 89 HG LEU 89 -3.084 9.556 -5.232 692 1HD1 LEU 89 1HD1 LEU 89 -2.136 9.962 -2.795 693 2HD1 LEU 89 2HD1 LEU 89 -3.813 10.411 -2.486 694 3HD1 LEU 89 3HD1 LEU 89 -2.889 11.254 -3.729 695 1HD2 LEU 89 1HD2 LEU 89 -2.067 7.712 -4.388 696 2HD2 LEU 89 2HD2 LEU 89 -3.735 7.155 -4.259 697 3HD2 LEU 89 3HD2 LEU 89 -2.913 7.815 -2.845 698 H ASN 90 H ASN 90 -3.482 9.179 -7.143 699 HA ASN 90 HA ASN 90 -3.011 6.300 -7.303 700 1HB ASN 90 2HB ASN 90 -4.125 7.689 -9.450 701 2HB ASN 90 1HB ASN 90 -2.410 7.611 -9.840 702 1HD2 ASN 90 1HD2 ASN 90 -1.809 5.164 -8.628 703 2HD2 ASN 90 2HD2 ASN 90 -2.590 3.908 -9.520 704 H LYS 91 H LYS 91 -1.061 6.152 -6.348 705 HA LYS 91 HA LYS 91 0.960 8.172 -7.097 706 1HB LYS 91 2HB LYS 91 0.573 6.794 -4.443 707 2HB LYS 91 1HB LYS 91 1.955 7.802 -4.840 708 1HG LYS 91 2HG LYS 91 -0.752 8.954 -5.203 709 2HG LYS 91 1HG LYS 91 -0.148 8.744 -3.558 710 1HD LYS 91 2HD LYS 91 1.769 10.102 -4.020 711 2HD LYS 91 1HD LYS 91 1.378 10.160 -5.739 712 1HE LYS 91 2HE LYS 91 -0.628 11.150 -3.772 713 2HE LYS 91 1HE LYS 91 0.773 12.156 -4.131 714 1HZ LYS 91 1HZ LYS 91 -1.214 11.134 -6.087 715 2HZ LYS 91 2HZ LYS 91 0.182 11.995 -6.500 716 3HZ LYS 91 3HZ LYS 91 -1.029 12.738 -5.581 717 H ALA 92 H ALA 92 3.192 7.518 -6.877 718 HA ALA 92 HA ALA 92 3.747 4.664 -7.091 719 1HB ALA 92 1HB ALA 92 5.151 5.088 -9.124 720 2HB ALA 92 2HB ALA 92 4.408 6.684 -9.226 721 3HB ALA 92 3HB ALA 92 3.414 5.238 -9.387 722 H LEU 93 H LEU 93 5.432 4.239 -5.793 723 HA LEU 93 HA LEU 93 7.392 6.395 -5.327 724 1HB LEU 93 2HB LEU 93 6.850 4.235 -3.325 725 2HB LEU 93 1HB LEU 93 7.569 5.814 -3.074 726 HG LEU 93 HG LEU 93 5.242 6.750 -3.683 727 1HD1 LEU 93 1HD1 LEU 93 3.932 5.075 -4.475 728 2HD1 LEU 93 2HD1 LEU 93 3.542 4.925 -2.762 729 3HD1 LEU 93 3HD1 LEU 93 4.723 3.840 -3.495 730 1HD2 LEU 93 1HD2 LEU 93 6.024 5.363 -1.153 731 2HD2 LEU 93 2HD2 LEU 93 4.441 6.128 -1.291 732 3HD2 LEU 93 3HD2 LEU 93 5.906 7.089 -1.495 733 H ASP 94 H ASP 94 9.547 5.647 -4.632 734 HA ASP 94 HA ASP 94 10.298 3.179 -6.049 735 1HB ASP 94 2HB ASP 94 11.900 5.688 -5.516 736 2HB ASP 94 1HB ASP 94 12.564 4.224 -6.235 737 H LEU 95 H LEU 95 10.718 1.545 -4.694 738 HA LEU 95 HA LEU 95 11.687 2.157 -2.001 739 1HB LEU 95 2HB LEU 95 9.676 0.546 -2.757 740 2HB LEU 95 1HB LEU 95 10.984 -0.618 -2.763 741 HG LEU 95 HG LEU 95 9.898 0.948 -0.440 742 1HD1 LEU 95 1HD1 LEU 95 8.711 -0.949 -0.364 743 2HD1 LEU 95 2HD1 LEU 95 10.179 -1.615 0.353 744 3HD1 LEU 95 3HD1 LEU 95 9.860 -1.833 -1.367 745 1HD2 LEU 95 1HD2 LEU 95 12.503 0.842 -0.638 746 2HD2 LEU 95 2HD2 LEU 95 12.272 -0.834 -0.144 747 3HD2 LEU 95 3HD2 LEU 95 11.709 0.480 0.891 748 H ARG 96 H ARG 96 13.873 2.295 -2.012 749 HA ARG 96 HA ARG 96 15.407 0.266 -3.461 750 1HB ARG 96 2HB ARG 96 16.987 2.346 -2.150 751 2HB ARG 96 1HB ARG 96 16.971 1.813 -3.818 752 1HG ARG 96 2HG ARG 96 14.982 3.725 -2.637 753 2HG ARG 96 1HG ARG 96 16.396 4.183 -3.583 754 1HD ARG 96 2HD ARG 96 13.910 2.766 -4.459 755 2HD ARG 96 1HD ARG 96 14.682 4.188 -5.156 756 HE ARG 96 HE ARG 96 15.229 1.456 -5.782 757 1HH1 ARG 96 1HH1 ARG 96 16.645 4.640 -5.613 758 2HH1 ARG 96 2HH1 ARG 96 17.863 4.299 -6.796 759 1HH2 ARG 96 1HH2 ARG 96 16.831 1.003 -7.336 760 2HH2 ARG 96 2HH2 ARG 96 17.969 2.233 -7.774 761 H ILE 97 H ILE 97 15.929 -1.467 -2.345 762 HA ILE 97 HA ILE 97 16.403 -1.220 0.548 763 HB ILE 97 HB ILE 97 15.934 -3.826 -0.865 764 1HG1 ILE 97 2HG1 ILE 97 13.689 -2.285 0.407 765 2HG1 ILE 97 1HG1 ILE 97 14.096 -2.022 -1.283 766 1HG2 ILE 97 1HG2 ILE 97 16.732 -3.423 1.610 767 2HG2 ILE 97 2HG2 ILE 97 15.584 -4.702 1.215 768 3HG2 ILE 97 3HG2 ILE 97 15.009 -3.176 1.884 769 1HD1 ILE 97 1HD1 ILE 97 13.594 -4.263 -1.842 770 2HD1 ILE 97 2HD1 ILE 97 12.258 -3.658 -0.864 771 3HD1 ILE 97 3HD1 ILE 97 13.464 -4.726 -0.147 772 H LEU 98 H LEU 98 18.486 -1.197 1.103 773 HA LEU 98 HA LEU 98 20.540 -2.162 -0.613 774 1HB LEU 98 2HB LEU 98 20.304 -0.697 1.950 775 2HB LEU 98 1HB LEU 98 21.788 -1.567 1.668 776 HG LEU 98 HG LEU 98 20.650 0.527 -0.167 777 1HD1 LEU 98 1HD1 LEU 98 23.180 0.989 1.278 778 2HD1 LEU 98 2HD1 LEU 98 21.707 1.045 2.245 779 3HD1 LEU 98 3HD1 LEU 98 21.888 2.113 0.854 780 1HD2 LEU 98 1HD2 LEU 98 21.960 -0.946 -1.465 781 2HD2 LEU 98 2HD2 LEU 98 23.197 -1.072 -0.214 782 3HD2 LEU 98 3HD2 LEU 98 22.999 0.433 -1.111 783 H GLU 99 H GLU 99 22.291 -3.500 0.402 784 HA GLU 99 HA GLU 99 21.075 -5.842 1.694 785 1HB GLU 99 2HB GLU 99 23.645 -5.653 0.111 786 2HB GLU 99 1HB GLU 99 22.952 -7.126 0.776 787 1HG GLU 99 2HG GLU 99 21.479 -7.340 -0.894 788 2HG GLU 99 1HG GLU 99 21.145 -5.610 -0.959 Start of MODEL 9 1 1H ARG 1 1H ARG 1 6.334 9.728 7.744 2 2H ARG 1 2H ARG 1 7.842 9.471 6.965 3 3H ARG 1 3H ARG 1 6.532 8.401 6.677 4 HA ARG 1 HA ARG 1 5.356 9.954 5.486 5 1HB ARG 1 2HB ARG 1 5.957 11.761 7.186 6 2HB ARG 1 1HB ARG 1 7.413 12.031 6.237 7 1HG ARG 1 2HG ARG 1 5.869 12.393 4.253 8 2HG ARG 1 1HG ARG 1 4.557 12.469 5.430 9 1HD ARG 1 2HD ARG 1 5.392 14.407 6.417 10 2HD ARG 1 1HD ARG 1 7.006 14.164 5.750 11 HE ARG 1 HE ARG 1 4.780 15.459 4.475 12 1HH1 ARG 1 1HH1 ARG 1 7.787 13.767 3.952 13 2HH1 ARG 1 2HH1 ARG 1 8.055 14.470 2.392 14 1HH2 ARG 1 1HH2 ARG 1 5.130 16.383 2.424 15 2HH2 ARG 1 2HH2 ARG 1 6.547 15.954 1.524 16 H ASP 2 H ASP 2 7.396 8.078 4.900 17 HA ASP 2 HA ASP 2 9.402 9.138 3.215 18 1HB ASP 2 2HB ASP 2 9.505 6.759 2.331 19 2HB ASP 2 1HB ASP 2 9.742 6.944 4.065 20 H SER 3 H SER 3 8.196 10.669 1.945 21 HA SER 3 HA SER 3 6.258 9.663 0.045 22 1HB SER 3 2HB SER 3 5.712 11.818 0.784 23 2HB SER 3 1HB SER 3 7.381 12.379 0.679 24 HG SER 3 HG SER 3 5.918 11.597 -1.610 25 H GLY 4 H GLY 4 7.084 8.444 -1.551 26 1HA GLY 4 2HA GLY 4 8.033 8.390 -3.732 27 2HA GLY 4 1HA GLY 4 9.123 9.682 -3.257 28 H THR 5 H THR 5 10.932 8.575 -4.002 29 HA THR 5 HA THR 5 11.697 5.974 -3.555 30 HB THR 5 HB THR 5 13.694 8.211 -3.312 31 HG1 THR 5 1HG THR 5 13.499 8.669 -5.411 32 1HG2 THR 5 1HG2 THR 5 15.158 6.609 -3.685 33 2HG2 THR 5 2HG2 THR 5 14.401 6.295 -5.247 34 3HG2 THR 5 3HG2 THR 5 13.860 5.422 -3.813 35 H VAL 6 H VAL 6 12.608 4.815 -2.017 36 HA VAL 6 HA VAL 6 13.162 6.078 0.566 37 HB VAL 6 HB VAL 6 10.858 4.768 0.192 38 1HG1 VAL 6 1HG1 VAL 6 11.993 2.760 -0.509 39 2HG1 VAL 6 2HG1 VAL 6 10.971 2.509 0.911 40 3HG1 VAL 6 3HG1 VAL 6 12.724 2.622 1.090 41 1HG2 VAL 6 1HG2 VAL 6 12.594 4.751 2.656 42 2HG2 VAL 6 2HG2 VAL 6 10.921 4.196 2.655 43 3HG2 VAL 6 3HG2 VAL 6 11.291 5.873 2.254 44 H TRP 7 H TRP 7 14.601 4.839 1.930 45 HA TRP 7 HA TRP 7 16.173 2.850 0.433 46 1HB TRP 7 2HB TRP 7 17.180 4.998 2.306 47 2HB TRP 7 1HB TRP 7 18.179 3.707 1.640 48 HD1 TRP 7 HD TRP 7 16.276 6.869 0.554 49 HE1 TRP 7 1HE TRP 7 17.225 7.652 -1.707 50 HE3 TRP 7 3HE TRP 7 19.410 2.947 -0.406 51 HZ2 TRP 7 2HZ TRP 7 19.066 6.728 -3.640 52 HZ3 TRP 7 3HZ TRP 7 20.731 2.973 -2.484 53 HH2 TRP 7 HH TRP 7 20.560 4.825 -4.066 54 H GLY 8 H GLY 8 16.436 0.939 1.376 55 1HA GLY 8 2HA GLY 8 16.279 0.749 4.303 56 2HA GLY 8 1HA GLY 8 15.089 -0.161 3.393 57 H ALA 9 H ALA 9 16.473 -1.741 4.924 58 HA ALA 9 HA ALA 9 18.531 -2.908 3.168 59 1HB ALA 9 1HB ALA 9 19.618 -1.932 5.103 60 2HB ALA 9 2HB ALA 9 19.714 -3.693 5.167 61 3HB ALA 9 3HB ALA 9 18.552 -2.836 6.182 62 H LEU 10 H LEU 10 18.357 -5.018 2.724 63 HA LEU 10 HA LEU 10 15.967 -6.392 3.042 64 1HB LEU 10 2HB LEU 10 18.307 -6.832 1.700 65 2HB LEU 10 1HB LEU 10 18.373 -8.090 2.917 66 HG LEU 10 HG LEU 10 15.949 -8.640 2.084 67 1HD1 LEU 10 1HD1 LEU 10 16.988 -6.763 0.049 68 2HD1 LEU 10 2HD1 LEU 10 15.329 -7.113 0.531 69 3HD1 LEU 10 3HD1 LEU 10 16.185 -8.216 -0.545 70 1HD2 LEU 10 1HD2 LEU 10 18.160 -9.330 0.195 71 2HD2 LEU 10 2HD2 LEU 10 16.838 -10.337 0.786 72 3HD2 LEU 10 3HD2 LEU 10 18.174 -9.917 1.857 73 H GLY 11 H GLY 11 15.071 -7.614 4.580 74 1HA GLY 11 2HA GLY 11 15.072 -9.085 6.422 75 2HA GLY 11 1HA GLY 11 16.737 -8.639 6.752 76 H HIS 12 H HIS 12 15.561 -5.702 6.331 77 HA HIS 12 HA HIS 12 14.800 -5.462 9.151 78 1HB HIS 12 2HB HIS 12 16.489 -3.975 9.107 79 2HB HIS 12 1HB HIS 12 16.522 -3.948 7.351 80 HD1 HIS 12 1HD HIS 12 15.106 -2.127 10.294 81 HD2 HIS 12 2HD HIS 12 15.197 -1.879 6.161 82 HE1 HIS 12 1HE HIS 12 14.310 0.199 9.753 83 HE2 HIS 12 2HE HIS 12 14.489 0.372 7.244 84 H GLY 13 H GLY 13 13.299 -3.518 9.559 85 1HA GLY 13 2HA GLY 13 10.893 -4.015 8.048 86 2HA GLY 13 1HA GLY 13 11.050 -2.958 9.441 87 H ILE 14 H ILE 14 9.458 -2.158 7.414 88 HA ILE 14 HA ILE 14 10.450 0.372 6.773 89 HB ILE 14 HB ILE 14 11.877 -1.054 5.226 90 1HG1 ILE 14 2HG1 ILE 14 11.161 0.510 3.183 91 2HG1 ILE 14 1HG1 ILE 14 10.251 1.309 4.460 92 1HG2 ILE 14 1HG2 ILE 14 10.681 -1.563 3.022 93 2HG2 ILE 14 2HG2 ILE 14 9.201 -1.512 3.974 94 3HG2 ILE 14 3HG2 ILE 14 10.462 -2.679 4.368 95 1HD1 ILE 14 1HD1 ILE 14 12.604 2.152 3.943 96 2HD1 ILE 14 2HD1 ILE 14 13.166 0.700 4.774 97 3HD1 ILE 14 3HD1 ILE 14 12.177 1.884 5.633 98 H ASP 15 H ASP 15 8.822 1.703 6.057 99 HA ASP 15 HA ASP 15 6.283 0.390 5.340 100 1HB ASP 15 2HB ASP 15 6.203 1.250 7.638 101 2HB ASP 15 1HB ASP 15 6.648 2.852 7.058 102 H LEU 16 H LEU 16 5.284 1.086 3.574 103 HA LEU 16 HA LEU 16 6.491 3.228 2.017 104 1HB LEU 16 2HB LEU 16 4.878 0.864 1.497 105 2HB LEU 16 1HB LEU 16 4.222 2.260 0.679 106 HG LEU 16 HG LEU 16 5.751 2.132 -0.941 107 1HD1 LEU 16 1HD1 LEU 16 8.194 1.858 -0.531 108 2HD1 LEU 16 2HD1 LEU 16 7.845 1.804 1.196 109 3HD1 LEU 16 3HD1 LEU 16 7.468 3.255 0.260 110 1HD2 LEU 16 1HD2 LEU 16 6.671 0.022 -1.379 111 2HD2 LEU 16 2HD2 LEU 16 5.230 -0.295 -0.414 112 3HD2 LEU 16 3HD2 LEU 16 6.823 -0.361 0.336 113 H ASP 17 H ASP 17 5.817 5.261 2.380 114 HA ASP 17 HA ASP 17 3.109 5.681 3.398 115 1HB ASP 17 2HB ASP 17 5.584 7.383 3.368 116 2HB ASP 17 1HB ASP 17 4.000 8.080 3.697 117 H ILE 18 H ILE 18 1.533 6.412 2.201 118 HA ILE 18 HA ILE 18 1.944 7.126 -0.557 119 HB ILE 18 HB ILE 18 -0.582 7.090 1.088 120 1HG1 ILE 18 2HG1 ILE 18 0.899 4.999 -0.440 121 2HG1 ILE 18 1HG1 ILE 18 0.082 4.870 1.106 122 1HG2 ILE 18 1HG2 ILE 18 -0.579 8.460 -1.048 123 2HG2 ILE 18 2HG2 ILE 18 -1.809 7.205 -0.915 124 3HG2 ILE 18 3HG2 ILE 18 -0.377 6.931 -1.905 125 1HD1 ILE 18 1HD1 ILE 18 -1.211 3.623 -0.377 126 2HD1 ILE 18 2HD1 ILE 18 -1.137 4.874 -1.619 127 3HD1 ILE 18 3HD1 ILE 18 -2.084 5.139 -0.153 128 HA PRO 19 HA PRO 19 2.360 11.503 0.405 129 1HB PRO 19 2HB PRO 19 1.913 11.773 -2.513 130 2HB PRO 19 1HB PRO 19 3.240 12.377 -1.516 131 1HG PRO 19 2HG PRO 19 3.600 10.306 -3.154 132 2HG PRO 19 1HG PRO 19 4.368 10.350 -1.556 133 1HD PRO 19 2HD PRO 19 1.945 8.843 -2.453 134 2HD PRO 19 1HD PRO 19 3.262 8.321 -1.384 135 H ASN 20 H ASN 20 0.862 12.874 1.044 136 HA ASN 20 HA ASN 20 -1.211 13.729 1.485 137 1HB ASN 20 2HB ASN 20 -0.968 13.968 -1.507 138 2HB ASN 20 1HB ASN 20 -2.275 14.719 -0.598 139 1HD2 ASN 20 1HD2 ASN 20 -1.272 15.824 1.505 140 2HD2 ASN 20 2HD2 ASN 20 0.001 16.935 1.145 141 H PHE 21 H PHE 21 -1.840 11.347 2.049 142 HA PHE 21 HA PHE 21 -4.360 10.831 0.688 143 1HB PHE 21 2HB PHE 21 -3.145 9.222 -0.421 144 2HB PHE 21 1HB PHE 21 -2.054 8.951 0.927 145 HD1 PHE 21 1HD PHE 21 -5.643 8.537 0.034 146 HD2 PHE 21 2HD PHE 21 -2.265 7.015 2.099 147 HE1 PHE 21 1HE PHE 21 -6.950 6.553 0.699 148 HE2 PHE 21 2HE PHE 21 -3.550 5.021 2.762 149 HZ PHE 21 HZ PHE 21 -5.899 4.790 2.059 150 H GLN 22 H GLN 22 -5.921 9.807 1.989 151 HA GLN 22 HA GLN 22 -5.210 9.343 4.793 152 1HB GLN 22 2HB GLN 22 -7.127 11.365 3.739 153 2HB GLN 22 1HB GLN 22 -7.564 10.513 5.213 154 1HG GLN 22 2HG GLN 22 -6.056 11.612 6.448 155 2HG GLN 22 1HG GLN 22 -4.832 11.564 5.181 156 1HE2 GLN 22 1HE2 GLN 22 -4.742 13.214 3.668 157 2HE2 GLN 22 2HE2 GLN 22 -5.567 14.716 3.888 158 H MET 23 H MET 23 -5.848 7.365 5.302 159 HA MET 23 HA MET 23 -7.842 5.990 3.740 160 1HB MET 23 2HB MET 23 -5.728 4.943 4.678 161 2HB MET 23 1HB MET 23 -6.504 5.000 6.254 162 1HG MET 23 2HG MET 23 -8.100 3.760 4.128 163 2HG MET 23 1HG MET 23 -6.621 2.903 4.557 164 1HE MET 23 1HE MET 23 -8.067 0.626 6.980 165 2HE MET 23 2HE MET 23 -6.472 1.378 6.947 166 3HE MET 23 3HE MET 23 -7.264 0.924 5.438 167 H THR 24 H THR 24 -9.680 7.309 4.224 168 HA THR 24 HA THR 24 -10.787 6.847 6.916 169 HB THR 24 HB THR 24 -12.302 8.884 5.944 170 HG1 THR 24 1HG THR 24 -10.837 10.346 4.967 171 1HG2 THR 24 1HG2 THR 24 -10.471 10.396 7.081 172 2HG2 THR 24 2HG2 THR 24 -9.865 8.832 7.626 173 3HG2 THR 24 3HG2 THR 24 -11.510 9.328 8.022 174 H ASP 25 H ASP 25 -13.383 7.359 6.606 175 HA ASP 25 HA ASP 25 -14.434 5.040 5.479 176 1HB ASP 25 2HB ASP 25 -16.646 6.139 5.739 177 2HB ASP 25 1HB ASP 25 -15.642 6.283 7.178 178 H ASP 26 H ASP 26 -13.840 8.176 4.068 179 HA ASP 26 HA ASP 26 -15.459 7.972 1.789 180 1HB ASP 26 2HB ASP 26 -13.987 9.680 0.810 181 2HB ASP 26 1HB ASP 26 -14.399 10.072 2.477 182 H ILE 27 H ILE 27 -12.389 6.534 2.574 183 HA ILE 27 HA ILE 27 -11.765 5.789 -0.126 184 HB ILE 27 HB ILE 27 -10.552 4.950 2.509 185 1HG1 ILE 27 2HG1 ILE 27 -10.137 7.272 2.177 186 2HG1 ILE 27 1HG1 ILE 27 -8.682 6.443 1.675 187 1HG2 ILE 27 1HG2 ILE 27 -8.673 4.105 1.202 188 2HG2 ILE 27 2HG2 ILE 27 -9.534 4.482 -0.289 189 3HG2 ILE 27 3HG2 ILE 27 -10.164 3.251 0.806 190 1HD1 ILE 27 1HD1 ILE 27 -8.905 7.913 -0.040 191 2HD1 ILE 27 2HD1 ILE 27 -10.667 7.925 0.058 192 3HD1 ILE 27 3HD1 ILE 27 -9.836 6.562 -0.690 193 H ASP 28 H ASP 28 -12.478 3.912 -1.150 194 HA ASP 28 HA ASP 28 -13.816 1.913 0.527 195 1HB ASP 28 2HB ASP 28 -14.843 3.325 -1.586 196 2HB ASP 28 1HB ASP 28 -14.346 1.822 -2.357 197 H GLU 29 H GLU 29 -11.680 2.274 -2.332 198 HA GLU 29 HA GLU 29 -10.789 -0.487 -1.767 199 1HB GLU 29 2HB GLU 29 -12.189 -0.446 -3.773 200 2HB GLU 29 1HB GLU 29 -11.141 0.764 -4.491 201 1HG GLU 29 2HG GLU 29 -9.286 -0.849 -4.455 202 2HG GLU 29 1HG GLU 29 -10.381 -2.062 -3.793 203 H VAL 30 H VAL 30 -8.740 -0.518 -1.123 204 HA VAL 30 HA VAL 30 -6.864 1.467 -2.245 205 HB VAL 30 HB VAL 30 -6.329 -0.039 0.308 206 1HG1 VAL 30 1HG1 VAL 30 -5.225 2.426 0.546 207 2HG1 VAL 30 2HG1 VAL 30 -5.117 2.168 -1.196 208 3HG1 VAL 30 3HG1 VAL 30 -4.388 1.007 -0.086 209 1HG2 VAL 30 1HG2 VAL 30 -7.697 2.646 0.161 210 2HG2 VAL 30 2HG2 VAL 30 -7.298 1.725 1.612 211 3HG2 VAL 30 3HG2 VAL 30 -8.529 1.128 0.500 212 H ARG 31 H ARG 31 -5.581 0.575 -3.755 213 HA ARG 31 HA ARG 31 -4.832 -2.256 -3.429 214 1HB ARG 31 2HB ARG 31 -4.531 -0.942 -6.079 215 2HB ARG 31 1HB ARG 31 -4.966 -2.596 -5.685 216 1HG ARG 31 2HG ARG 31 -7.209 -1.942 -5.139 217 2HG ARG 31 1HG ARG 31 -6.800 -0.236 -5.331 218 1HD ARG 31 2HD ARG 31 -7.986 -1.097 -7.288 219 2HD ARG 31 1HD ARG 31 -6.346 -0.597 -7.696 220 HE ARG 31 HE ARG 31 -6.070 -3.237 -7.204 221 1HH1 ARG 31 1HH1 ARG 31 -8.242 -1.417 -9.240 222 2HH1 ARG 31 2HH1 ARG 31 -8.408 -2.683 -10.410 223 1HH2 ARG 31 1HH2 ARG 31 -6.285 -4.904 -8.741 224 2HH2 ARG 31 2HH2 ARG 31 -7.297 -4.663 -10.127 225 H TRP 32 H TRP 32 -2.781 -2.831 -3.296 226 HA TRP 32 HA TRP 32 -0.701 -0.789 -3.729 227 1HB TRP 32 2HB TRP 32 -0.911 -3.040 -1.736 228 2HB TRP 32 1HB TRP 32 0.647 -2.352 -2.165 229 HD1 TRP 32 HD TRP 32 -2.589 -1.498 -0.292 230 HE1 TRP 32 1HE TRP 32 -2.154 0.564 1.186 231 HE3 TRP 32 3HE TRP 32 2.085 -0.274 -1.959 232 HZ2 TRP 32 2HZ TRP 32 -0.100 2.461 1.592 233 HZ3 TRP 32 3HZ TRP 32 3.212 1.684 -0.979 234 HH2 TRP 32 HH TRP 32 2.142 3.018 0.760 235 H GLU 33 H GLU 33 -0.612 -1.369 -5.965 236 HA GLU 33 HA GLU 33 0.273 -4.097 -6.544 237 1HB GLU 33 2HB GLU 33 -0.512 -1.890 -8.450 238 2HB GLU 33 1HB GLU 33 -0.175 -3.560 -8.882 239 1HG GLU 33 2HG GLU 33 -2.115 -4.338 -7.796 240 2HG GLU 33 1HG GLU 33 -2.363 -2.798 -6.976 241 H ARG 34 H ARG 34 2.079 -4.558 -7.785 242 HA ARG 34 HA ARG 34 4.031 -2.434 -8.239 243 1HB ARG 34 2HB ARG 34 4.374 -3.617 -5.963 244 2HB ARG 34 1HB ARG 34 4.884 -5.002 -6.919 245 1HG ARG 34 2HG ARG 34 6.334 -2.903 -7.982 246 2HG ARG 34 1HG ARG 34 6.318 -2.575 -6.248 247 1HD ARG 34 2HD ARG 34 8.151 -3.936 -6.375 248 2HD ARG 34 1HD ARG 34 6.894 -5.142 -6.102 249 HE ARG 34 HE ARG 34 7.011 -4.992 -8.794 250 1HH1 ARG 34 1HH1 ARG 34 9.446 -5.453 -6.337 251 2HH1 ARG 34 2HH1 ARG 34 10.475 -6.401 -7.357 252 1HH2 ARG 34 1HH2 ARG 34 8.362 -6.240 -10.137 253 2HH2 ARG 34 2HH2 ARG 34 9.860 -6.848 -9.514 254 H GLY 35 H GLY 35 4.554 -2.601 -10.329 255 1HA GLY 35 2HA GLY 35 5.030 -3.523 -12.387 256 2HA GLY 35 1HA GLY 35 5.649 -4.903 -11.495 257 H SER 36 H SER 36 4.710 -6.743 -11.952 258 HA SER 36 HA SER 36 1.912 -6.718 -12.880 259 1HB SER 36 2HB SER 36 3.717 -9.014 -13.509 260 2HB SER 36 1HB SER 36 2.376 -8.350 -14.443 261 HG SER 36 HG SER 36 4.770 -7.958 -15.043 262 H THR 37 H THR 37 2.444 -6.751 -10.154 263 HA THR 37 HA THR 37 1.282 -9.315 -9.428 264 HB THR 37 HB THR 37 3.893 -8.332 -8.261 265 HG1 THR 37 1HG THR 37 4.629 -10.360 -9.036 266 1HG2 THR 37 1HG2 THR 37 3.875 -10.403 -6.924 267 2HG2 THR 37 2HG2 THR 37 2.202 -10.669 -7.412 268 3HG2 THR 37 3HG2 THR 37 2.625 -9.252 -6.448 269 H LEU 38 H LEU 38 0.465 -9.339 -7.202 270 HA LEU 38 HA LEU 38 -0.274 -6.623 -6.316 271 1HB LEU 38 2HB LEU 38 -1.692 -9.211 -6.336 272 2HB LEU 38 1HB LEU 38 -1.847 -8.307 -4.851 273 HG LEU 38 HG LEU 38 -2.592 -7.244 -7.580 274 1HD1 LEU 38 1HD1 LEU 38 -3.991 -8.898 -5.631 275 2HD1 LEU 38 2HD1 LEU 38 -4.389 -8.540 -7.314 276 3HD1 LEU 38 3HD1 LEU 38 -4.858 -7.416 -6.040 277 1HD2 LEU 38 1HD2 LEU 38 -1.836 -5.671 -5.647 278 2HD2 LEU 38 2HD2 LEU 38 -3.402 -6.078 -4.948 279 3HD2 LEU 38 3HD2 LEU 38 -3.317 -5.314 -6.535 280 H VAL 39 H VAL 39 -0.065 -6.046 -4.152 281 HA VAL 39 HA VAL 39 1.633 -7.843 -2.560 282 HB VAL 39 HB VAL 39 1.665 -4.829 -2.750 283 1HG1 VAL 39 1HG1 VAL 39 3.421 -4.908 -0.998 284 2HG1 VAL 39 2HG1 VAL 39 3.028 -6.606 -0.734 285 3HG1 VAL 39 3HG1 VAL 39 1.818 -5.361 -0.418 286 1HG2 VAL 39 1HG2 VAL 39 2.957 -6.460 -4.347 287 2HG2 VAL 39 2HG2 VAL 39 4.049 -6.624 -2.972 288 3HG2 VAL 39 3HG2 VAL 39 3.773 -5.039 -3.692 289 H ALA 40 H ALA 40 -0.885 -5.370 -2.477 290 HA ALA 40 HA ALA 40 -2.295 -6.722 -0.402 291 1HB ALA 40 1HB ALA 40 -0.580 -5.709 0.989 292 2HB ALA 40 2HB ALA 40 -2.153 -4.981 1.314 293 3HB ALA 40 3HB ALA 40 -0.968 -4.118 0.334 294 H GLU 41 H GLU 41 -4.294 -6.509 -1.134 295 HA GLU 41 HA GLU 41 -5.172 -3.856 -2.066 296 1HB GLU 41 2HB GLU 41 -5.213 -6.353 -3.438 297 2HB GLU 41 1HB GLU 41 -6.877 -5.880 -3.121 298 1HG GLU 41 2HG GLU 41 -6.580 -3.806 -4.255 299 2HG GLU 41 1HG GLU 41 -4.844 -4.076 -4.399 300 H PHE 42 H PHE 42 -6.544 -2.953 -0.714 301 HA PHE 42 HA PHE 42 -8.190 -4.649 1.014 302 1HB PHE 42 2HB PHE 42 -6.938 -3.052 2.266 303 2HB PHE 42 1HB PHE 42 -7.382 -1.744 1.175 304 HD1 PHE 42 1HD PHE 42 -9.605 -0.756 1.262 305 HD2 PHE 42 2HD PHE 42 -8.421 -3.788 4.003 306 HE1 PHE 42 1HE PHE 42 -11.509 -0.183 2.709 307 HE2 PHE 42 2HE PHE 42 -10.323 -3.219 5.459 308 HZ PHE 42 HZ PHE 42 -11.871 -1.415 4.812 309 H LYS 43 H LYS 43 -10.431 -4.239 1.271 310 HA LYS 43 HA LYS 43 -11.702 -2.533 -0.732 311 1HB LYS 43 2HB LYS 43 -11.426 -5.057 -1.433 312 2HB LYS 43 1HB LYS 43 -12.795 -5.291 -0.356 313 1HG LYS 43 2HG LYS 43 -14.212 -3.997 -1.679 314 2HG LYS 43 1HG LYS 43 -12.868 -3.232 -2.529 315 1HD LYS 43 2HD LYS 43 -12.381 -5.746 -3.230 316 2HD LYS 43 1HD LYS 43 -14.115 -5.898 -2.941 317 1HE LYS 43 2HE LYS 43 -13.006 -3.692 -4.642 318 2HE LYS 43 1HE LYS 43 -13.313 -5.294 -5.311 319 1HZ LYS 43 1HZ LYS 43 -15.133 -3.409 -5.325 320 2HZ LYS 43 2HZ LYS 43 -15.462 -4.028 -3.786 321 3HZ LYS 43 3HZ LYS 43 -15.548 -5.039 -5.139 322 H ARG 44 H ARG 44 -13.737 -1.793 -0.155 323 HA ARG 44 HA ARG 44 -14.268 -1.488 2.559 324 1HB ARG 44 2HB ARG 44 -15.063 0.092 0.928 325 2HB ARG 44 1HB ARG 44 -16.093 -1.128 0.205 326 1HG ARG 44 2HG ARG 44 -17.337 0.449 1.618 327 2HG ARG 44 1HG ARG 44 -17.457 -1.217 2.189 328 1HD ARG 44 2HD ARG 44 -17.105 0.302 4.054 329 2HD ARG 44 1HD ARG 44 -15.717 -0.766 3.853 330 HE ARG 44 HE ARG 44 -15.215 1.583 2.428 331 1HH1 ARG 44 1HH1 ARG 44 -15.616 0.543 5.736 332 2HH1 ARG 44 2HH1 ARG 44 -14.589 1.780 6.380 333 1HH2 ARG 44 1HH2 ARG 44 -13.865 3.210 3.275 334 2HH2 ARG 44 2HH2 ARG 44 -13.596 3.295 4.984 335 H LYS 45 H LYS 45 -14.330 -3.341 3.530 336 HA LYS 45 HA LYS 45 -15.432 -5.000 4.688 337 1HB LYS 45 2HB LYS 45 -17.548 -3.715 3.619 338 2HB LYS 45 1HB LYS 45 -17.679 -5.252 2.775 339 1HG LYS 45 2HG LYS 45 -18.266 -6.384 4.639 340 2HG LYS 45 1HG LYS 45 -17.257 -5.392 5.693 341 1HD LYS 45 2HD LYS 45 -19.106 -3.577 4.902 342 2HD LYS 45 1HD LYS 45 -20.070 -5.055 4.892 343 1HE LYS 45 2HE LYS 45 -18.338 -4.664 7.246 344 2HE LYS 45 1HE LYS 45 -19.674 -3.525 7.079 345 1HZ LYS 45 1HZ LYS 45 -20.026 -5.745 8.332 346 2HZ LYS 45 2HZ LYS 45 -20.176 -6.408 6.783 347 3HZ LYS 45 3HZ LYS 45 -21.231 -5.185 7.283 348 H MET 46 H MET 46 -15.694 -5.227 1.152 349 HA MET 46 HA MET 46 -15.771 -7.962 0.844 350 1HB MET 46 2HB MET 46 -14.651 -5.746 -0.817 351 2HB MET 46 1HB MET 46 -14.313 -7.406 -1.289 352 1HG MET 46 2HG MET 46 -16.210 -7.154 -2.461 353 2HG MET 46 1HG MET 46 -16.954 -7.590 -0.924 354 1HE MET 46 1HE MET 46 -18.805 -6.566 -2.665 355 2HE MET 46 2HE MET 46 -19.435 -4.964 -2.282 356 3HE MET 46 3HE MET 46 -19.394 -6.216 -1.041 357 H LYS 47 H LYS 47 -14.251 -9.603 0.624 358 HA LYS 47 HA LYS 47 -12.091 -9.586 2.381 359 1HB LYS 47 2HB LYS 47 -13.016 -11.392 0.204 360 2HB LYS 47 1HB LYS 47 -11.383 -11.621 0.816 361 1HG LYS 47 2HG LYS 47 -13.849 -11.590 2.541 362 2HG LYS 47 1HG LYS 47 -13.089 -13.051 1.908 363 1HD LYS 47 2HD LYS 47 -11.346 -12.931 3.352 364 2HD LYS 47 1HD LYS 47 -11.314 -11.166 3.330 365 1HE LYS 47 2HE LYS 47 -13.489 -11.286 4.665 366 2HE LYS 47 1HE LYS 47 -13.101 -12.988 4.915 367 1HZ LYS 47 1HZ LYS 47 -10.802 -11.862 5.613 368 2HZ LYS 47 2HZ LYS 47 -12.053 -12.163 6.711 369 3HZ LYS 47 3HZ LYS 47 -11.863 -10.618 6.050 370 HA PRO 48 HA PRO 48 -9.086 -7.493 -0.186 371 1HB PRO 48 2HB PRO 48 -7.121 -7.313 1.613 372 2HB PRO 48 1HB PRO 48 -8.610 -6.377 1.789 373 1HG PRO 48 2HG PRO 48 -7.779 -8.891 3.172 374 2HG PRO 48 1HG PRO 48 -8.613 -7.472 3.830 375 1HD PRO 48 2HD PRO 48 -9.854 -9.827 3.061 376 2HD PRO 48 1HD PRO 48 -10.661 -8.253 3.206 377 H PHE 49 H PHE 49 -6.479 -7.832 -0.281 378 HA PHE 49 HA PHE 49 -5.933 -10.703 -0.536 379 1HB PHE 49 2HB PHE 49 -6.507 -10.043 -2.766 380 2HB PHE 49 1HB PHE 49 -5.506 -8.600 -2.662 381 HD1 PHE 49 1HD PHE 49 -5.449 -12.271 -2.937 382 HD2 PHE 49 2HD PHE 49 -3.159 -8.683 -3.081 383 HE1 PHE 49 1HE PHE 49 -3.548 -13.522 -3.873 384 HE2 PHE 49 2HE PHE 49 -1.262 -9.926 -4.018 385 HZ PHE 49 HZ PHE 49 -1.450 -12.350 -4.412 386 H LEU 50 H LEU 50 -4.383 -10.956 0.971 387 HA LEU 50 HA LEU 50 -2.225 -8.992 1.128 388 1HB LEU 50 2HB LEU 50 -3.442 -10.942 2.986 389 2HB LEU 50 1HB LEU 50 -1.705 -10.765 3.115 390 HG LEU 50 HG LEU 50 -3.776 -8.604 3.472 391 1HD1 LEU 50 1HD1 LEU 50 -2.578 -8.498 5.733 392 2HD1 LEU 50 2HD1 LEU 50 -1.942 -10.090 5.317 393 3HD1 LEU 50 3HD1 LEU 50 -3.683 -9.842 5.445 394 1HD2 LEU 50 1HD2 LEU 50 -1.395 -7.523 4.252 395 2HD2 LEU 50 2HD2 LEU 50 -2.191 -7.224 2.706 396 3HD2 LEU 50 3HD2 LEU 50 -0.929 -8.449 2.823 397 H LYS 51 H LYS 51 -0.556 -9.414 -0.202 398 HA LYS 51 HA LYS 51 -0.010 -11.676 -1.612 399 1HB LYS 51 2HB LYS 51 1.155 -9.579 -1.990 400 2HB LYS 51 1HB LYS 51 2.000 -9.737 -0.456 401 1HG LYS 51 2HG LYS 51 3.256 -11.595 -1.248 402 2HG LYS 51 1HG LYS 51 2.271 -11.712 -2.708 403 1HD LYS 51 2HD LYS 51 3.075 -9.440 -3.349 404 2HD LYS 51 1HD LYS 51 4.165 -9.486 -1.962 405 1HE LYS 51 2HE LYS 51 4.175 -11.653 -4.037 406 2HE LYS 51 1HE LYS 51 5.091 -10.164 -4.262 407 1HZ LYS 51 1HZ LYS 51 6.013 -10.720 -1.934 408 2HZ LYS 51 2HZ LYS 51 6.618 -11.554 -3.275 409 3HZ LYS 51 3HZ LYS 51 5.480 -12.292 -2.265 410 H SER 52 H SER 52 1.117 -10.959 1.677 411 HA SER 52 HA SER 52 1.185 -13.658 2.447 412 1HB SER 52 2HB SER 52 3.598 -14.052 2.603 413 2HB SER 52 1HB SER 52 3.124 -13.772 0.928 414 HG SER 52 HG SER 52 4.703 -12.370 1.035 415 H GLY 53 H GLY 53 2.232 -13.968 4.587 416 1HA GLY 53 2HA GLY 53 1.383 -12.058 6.405 417 2HA GLY 53 1HA GLY 53 2.522 -13.321 6.826 418 H ALA 54 H ALA 54 4.191 -11.865 4.457 419 HA ALA 54 HA ALA 54 5.824 -10.420 6.296 420 1HB ALA 54 1HB ALA 54 6.330 -11.693 3.979 421 2HB ALA 54 2HB ALA 54 7.407 -10.493 4.695 422 3HB ALA 54 3HB ALA 54 6.286 -10.022 3.417 423 H PHE 55 H PHE 55 2.977 -9.527 4.985 424 HA PHE 55 HA PHE 55 3.728 -6.688 5.043 425 1HB PHE 55 2HB PHE 55 1.730 -7.910 3.136 426 2HB PHE 55 1HB PHE 55 2.155 -6.212 3.243 427 HD1 PHE 55 1HD PHE 55 4.539 -5.550 2.757 428 HD2 PHE 55 2HD PHE 55 2.934 -9.350 1.738 429 HE1 PHE 55 1HE PHE 55 6.332 -5.851 1.103 430 HE2 PHE 55 2HE PHE 55 4.729 -9.671 0.085 431 HZ PHE 55 HZ PHE 55 6.432 -7.921 -0.234 432 H GLU 56 H GLU 56 2.011 -5.239 5.604 433 HA GLU 56 HA GLU 56 -0.429 -6.330 6.701 434 1HB GLU 56 2HB GLU 56 1.406 -4.794 8.542 435 2HB GLU 56 1HB GLU 56 -0.104 -5.594 8.953 436 1HG GLU 56 2HG GLU 56 0.941 -7.766 8.472 437 2HG GLU 56 1HG GLU 56 2.460 -6.939 8.130 438 H ILE 57 H ILE 57 -2.015 -4.955 6.265 439 HA ILE 57 HA ILE 57 -1.379 -2.297 5.319 440 HB ILE 57 HB ILE 57 -3.054 -3.715 4.158 441 1HG1 ILE 57 2HG1 ILE 57 -4.554 -1.325 5.132 442 2HG1 ILE 57 1HG1 ILE 57 -3.002 -1.073 4.340 443 1HG2 ILE 57 1HG2 ILE 57 -4.827 -4.623 5.153 444 2HG2 ILE 57 2HG2 ILE 57 -5.260 -3.109 5.944 445 3HG2 ILE 57 3HG2 ILE 57 -4.071 -4.179 6.683 446 1HD1 ILE 57 1HD1 ILE 57 -5.149 -2.732 3.076 447 2HD1 ILE 57 2HD1 ILE 57 -3.761 -1.949 2.318 448 3HD1 ILE 57 3HD1 ILE 57 -5.110 -0.977 2.910 449 H LEU 58 H LEU 58 -0.883 -0.909 6.914 450 HA LEU 58 HA LEU 58 -1.969 -0.903 9.499 451 1HB LEU 58 2HB LEU 58 -0.184 0.754 7.926 452 2HB LEU 58 1HB LEU 58 -1.209 1.731 8.960 453 HG LEU 58 HG LEU 58 -0.391 0.662 10.932 454 1HD1 LEU 58 1HD1 LEU 58 1.349 -1.136 10.764 455 2HD1 LEU 58 2HD1 LEU 58 0.948 -1.268 9.052 456 3HD1 LEU 58 3HD1 LEU 58 -0.275 -1.618 10.273 457 1HD2 LEU 58 1HD2 LEU 58 1.184 2.240 10.596 458 2HD2 LEU 58 2HD2 LEU 58 1.528 1.700 8.952 459 3HD2 LEU 58 3HD2 LEU 58 2.224 0.842 10.326 460 H ALA 59 H ALA 59 -3.194 0.981 10.445 461 HA ALA 59 HA ALA 59 -5.741 1.141 9.234 462 1HB ALA 59 1HB ALA 59 -5.993 3.019 11.058 463 2HB ALA 59 2HB ALA 59 -4.464 2.354 11.633 464 3HB ALA 59 3HB ALA 59 -5.887 1.317 11.512 465 H ASN 60 H ASN 60 -3.117 3.510 9.571 466 HA ASN 60 HA ASN 60 -4.394 5.706 8.440 467 1HB ASN 60 2HB ASN 60 -2.053 6.457 7.824 468 2HB ASN 60 1HB ASN 60 -2.310 6.065 9.521 469 1HD2 ASN 60 1HD2 ASN 60 -1.411 4.170 10.364 470 2HD2 ASN 60 2HD2 ASN 60 -0.116 3.349 9.570 471 H GLY 61 H GLY 61 -3.220 2.826 6.939 472 1HA GLY 61 2HA GLY 61 -3.996 2.207 4.764 473 2HA GLY 61 1HA GLY 61 -4.052 3.910 4.337 474 H ASP 62 H ASP 62 -1.355 2.313 5.940 475 HA ASP 62 HA ASP 62 0.256 2.798 3.522 476 1HB ASP 62 2HB ASP 62 0.909 3.108 6.437 477 2HB ASP 62 1HB ASP 62 2.189 2.856 5.257 478 H LEU 63 H LEU 63 1.972 1.322 3.066 479 HA LEU 63 HA LEU 63 1.241 -1.446 3.681 480 1HB LEU 63 2HB LEU 63 1.958 -0.610 1.407 481 2HB LEU 63 1HB LEU 63 3.574 -0.419 2.057 482 HG LEU 63 HG LEU 63 3.384 -2.937 2.654 483 1HD1 LEU 63 1HD1 LEU 63 1.866 -4.244 1.484 484 2HD1 LEU 63 2HD1 LEU 63 1.506 -2.961 0.325 485 3HD1 LEU 63 3HD1 LEU 63 0.890 -2.858 1.976 486 1HD2 LEU 63 1HD2 LEU 63 5.009 -2.397 1.112 487 2HD2 LEU 63 2HD2 LEU 63 3.854 -1.681 -0.012 488 3HD2 LEU 63 3HD2 LEU 63 3.948 -3.432 0.156 489 H LYS 64 H LYS 64 2.092 -2.582 5.318 490 HA LYS 64 HA LYS 64 4.550 -1.580 6.576 491 1HB LYS 64 2HB LYS 64 2.176 -2.126 7.741 492 2HB LYS 64 1HB LYS 64 2.967 -3.686 7.922 493 1HG LYS 64 2HG LYS 64 4.943 -2.086 8.768 494 2HG LYS 64 1HG LYS 64 3.548 -1.101 9.214 495 1HD LYS 64 2HD LYS 64 2.651 -2.833 10.571 496 2HD LYS 64 1HD LYS 64 3.801 -4.013 9.937 497 1HE LYS 64 2HE LYS 64 5.494 -2.147 10.911 498 2HE LYS 64 1HE LYS 64 4.140 -1.961 12.024 499 1HZ LYS 64 1HZ LYS 64 5.462 -3.576 13.005 500 2HZ LYS 64 2HZ LYS 64 5.811 -4.345 11.541 501 3HZ LYS 64 3HZ LYS 64 4.271 -4.491 12.225 502 H ILE 65 H ILE 65 6.321 -2.560 5.855 503 HA ILE 65 HA ILE 65 6.225 -5.370 5.043 504 HB ILE 65 HB ILE 65 8.693 -3.668 4.941 505 1HG1 ILE 65 2HG1 ILE 65 6.349 -3.589 3.027 506 2HG1 ILE 65 1HG1 ILE 65 7.053 -2.245 3.916 507 1HG2 ILE 65 1HG2 ILE 65 9.427 -5.609 4.118 508 2HG2 ILE 65 2HG2 ILE 65 8.532 -5.190 2.659 509 3HG2 ILE 65 3HG2 ILE 65 7.793 -6.226 3.877 510 1HD1 ILE 65 1HD1 ILE 65 9.090 -3.416 2.324 511 2HD1 ILE 65 2HD1 ILE 65 8.382 -1.805 2.214 512 3HD1 ILE 65 3HD1 ILE 65 7.670 -3.143 1.314 513 H LYS 66 H LYS 66 6.942 -6.972 6.338 514 HA LYS 66 HA LYS 66 8.000 -6.283 8.936 515 1HB LYS 66 2HB LYS 66 6.247 -7.979 8.740 516 2HB LYS 66 1HB LYS 66 7.315 -8.975 7.760 517 1HG LYS 66 2HG LYS 66 8.894 -8.909 9.787 518 2HG LYS 66 1HG LYS 66 7.478 -8.354 10.683 519 1HD LYS 66 2HD LYS 66 7.121 -10.560 10.985 520 2HD LYS 66 1HD LYS 66 6.433 -10.469 9.363 521 1HE LYS 66 2HE LYS 66 7.881 -12.230 9.111 522 2HE LYS 66 1HE LYS 66 8.914 -10.886 8.626 523 1HZ LYS 66 1HZ LYS 66 9.591 -10.859 11.085 524 2HZ LYS 66 2HZ LYS 66 10.223 -12.076 10.095 525 3HZ LYS 66 3HZ LYS 66 8.941 -12.421 11.144 526 H ASN 67 H ASN 67 9.145 -7.877 6.048 527 HA ASN 67 HA ASN 67 11.879 -7.620 7.016 528 1HB ASN 67 2HB ASN 67 11.096 -9.900 7.672 529 2HB ASN 67 1HB ASN 67 10.809 -10.252 5.972 530 1HD2 ASN 67 1HD2 ASN 67 12.691 -10.045 4.529 531 2HD2 ASN 67 2HD2 ASN 67 14.240 -10.510 5.140 532 H LEU 68 H LEU 68 12.768 -6.409 5.455 533 HA LEU 68 HA LEU 68 11.849 -6.156 2.856 534 1HB LEU 68 2HB LEU 68 14.470 -5.578 4.179 535 2HB LEU 68 1HB LEU 68 14.266 -5.323 2.455 536 HG LEU 68 HG LEU 68 12.221 -4.136 4.227 537 1HD1 LEU 68 1HD1 LEU 68 13.612 -2.189 4.703 538 2HD1 LEU 68 2HD1 LEU 68 14.997 -2.992 3.966 539 3HD1 LEU 68 3HD1 LEU 68 14.280 -3.643 5.439 540 1HD2 LEU 68 1HD2 LEU 68 11.722 -3.120 2.335 541 2HD2 LEU 68 2HD2 LEU 68 13.062 -3.943 1.538 542 3HD2 LEU 68 3HD2 LEU 68 13.318 -2.372 2.296 543 H THR 69 H THR 69 12.463 -6.970 0.913 544 HA THR 69 HA THR 69 14.426 -9.108 0.769 545 HB THR 69 HB THR 69 12.670 -10.524 -0.492 546 HG1 THR 69 1HG THR 69 10.574 -10.133 0.001 547 1HG2 THR 69 1HG2 THR 69 12.494 -10.199 2.490 548 2HG2 THR 69 2HG2 THR 69 13.544 -11.300 1.598 549 3HG2 THR 69 3HG2 THR 69 11.797 -11.536 1.575 550 H ARG 70 H ARG 70 14.775 -9.827 -1.500 551 HA ARG 70 HA ARG 70 15.340 -7.716 -3.197 552 1HB ARG 70 2HB ARG 70 14.656 -10.403 -4.348 553 2HB ARG 70 1HB ARG 70 15.926 -9.288 -4.823 554 1HG ARG 70 2HG ARG 70 17.311 -10.628 -3.712 555 2HG ARG 70 1HG ARG 70 16.619 -9.947 -2.240 556 1HD ARG 70 2HD ARG 70 15.436 -11.812 -1.774 557 2HD ARG 70 1HD ARG 70 15.092 -12.144 -3.470 558 HE ARG 70 HE ARG 70 16.844 -13.592 -3.457 559 1HH1 ARG 70 1HH1 ARG 70 17.357 -11.258 -0.914 560 2HH1 ARG 70 2HH1 ARG 70 18.803 -12.018 -0.337 561 1HH2 ARG 70 1HH2 ARG 70 18.745 -14.593 -2.701 562 2HH2 ARG 70 2HH2 ARG 70 19.591 -13.910 -1.352 563 H ASP 71 H ASP 71 12.593 -9.971 -3.523 564 HA ASP 71 HA ASP 71 11.363 -8.799 -5.700 565 1HB ASP 71 2HB ASP 71 10.668 -10.955 -4.758 566 2HB ASP 71 1HB ASP 71 10.027 -10.136 -3.337 567 H ASP 72 H ASP 72 11.554 -7.622 -2.451 568 HA ASP 72 HA ASP 72 9.292 -5.856 -2.672 569 1HB ASP 72 2HB ASP 72 10.635 -6.884 -0.554 570 2HB ASP 72 1HB ASP 72 11.348 -5.275 -0.632 571 H SER 73 H SER 73 12.502 -5.764 -3.779 572 HA SER 73 HA SER 73 12.814 -2.900 -3.652 573 1HB SER 73 2HB SER 73 14.672 -4.738 -3.674 574 2HB SER 73 1HB SER 73 14.460 -4.680 -5.425 575 HG SER 73 HG SER 73 14.821 -2.367 -5.225 576 H GLY 74 H GLY 74 12.029 -1.473 -5.082 577 1HA GLY 74 2HA GLY 74 12.084 -1.328 -7.706 578 2HA GLY 74 1HA GLY 74 10.780 -2.489 -7.498 579 H THR 75 H THR 75 9.639 -0.767 -8.673 580 HA THR 75 HA THR 75 8.875 1.590 -7.102 581 HB THR 75 HB THR 75 7.648 0.960 -9.740 582 HG1 THR 75 1HG THR 75 9.643 0.403 -10.341 583 1HG2 THR 75 1HG2 THR 75 9.005 3.454 -8.781 584 2HG2 THR 75 2HG2 THR 75 7.290 3.113 -8.554 585 3HG2 THR 75 3HG2 THR 75 7.951 3.270 -10.181 586 H TYR 76 H TYR 76 7.009 1.752 -6.017 587 HA TYR 76 HA TYR 76 5.035 -0.412 -6.304 588 1HB TYR 76 2HB TYR 76 5.695 1.422 -3.999 589 2HB TYR 76 1HB TYR 76 4.222 0.461 -4.041 590 HD1 TYR 76 1HD TYR 76 4.264 -1.594 -2.982 591 HD2 TYR 76 2HD TYR 76 7.906 0.002 -4.499 592 HE1 TYR 76 1HE TYR 76 5.493 -3.513 -2.041 593 HE2 TYR 76 2HE TYR 76 9.137 -1.906 -3.563 594 HH TYR 76 HH TYR 76 8.979 -3.633 -2.025 595 H ASN 77 H ASN 77 2.812 0.102 -6.462 596 HA ASN 77 HA ASN 77 2.208 2.924 -7.033 597 1HB ASN 77 2HB ASN 77 1.878 0.552 -8.787 598 2HB ASN 77 1HB ASN 77 0.571 1.729 -8.793 599 1HD2 ASN 77 1HD2 ASN 77 3.155 0.854 -10.445 600 2HD2 ASN 77 2HD2 ASN 77 3.690 2.378 -11.061 601 H VAL 78 H VAL 78 0.474 3.669 -5.988 602 HA VAL 78 HA VAL 78 -1.388 1.699 -4.841 603 HB VAL 78 HB VAL 78 -1.533 4.462 -3.811 604 1HG1 VAL 78 1HG1 VAL 78 -1.245 2.300 -1.906 605 2HG1 VAL 78 2HG1 VAL 78 -2.482 1.962 -3.112 606 3HG1 VAL 78 3HG1 VAL 78 -2.579 3.429 -2.146 607 1HG2 VAL 78 1HG2 VAL 78 0.393 3.621 -2.140 608 2HG2 VAL 78 2HG2 VAL 78 0.707 4.642 -3.545 609 3HG2 VAL 78 3HG2 VAL 78 0.978 2.901 -3.644 610 H THR 79 H THR 79 -3.468 1.731 -5.402 611 HA THR 79 HA THR 79 -4.451 4.012 -6.987 612 HB THR 79 HB THR 79 -5.976 1.565 -7.357 613 HG1 THR 79 1HG THR 79 -4.348 0.447 -8.495 614 1HG2 THR 79 1HG2 THR 79 -4.418 2.632 -9.597 615 2HG2 THR 79 2HG2 THR 79 -5.518 3.777 -8.828 616 3HG2 THR 79 3HG2 THR 79 -6.137 2.257 -9.476 617 H VAL 80 H VAL 80 -5.459 5.170 -5.436 618 HA VAL 80 HA VAL 80 -7.190 3.839 -3.507 619 HB VAL 80 HB VAL 80 -6.390 6.741 -3.789 620 1HG1 VAL 80 1HG1 VAL 80 -7.913 5.433 -1.541 621 2HG1 VAL 80 2HG1 VAL 80 -8.617 6.489 -2.763 622 3HG1 VAL 80 3HG1 VAL 80 -7.416 7.123 -1.637 623 1HG2 VAL 80 1HG2 VAL 80 -4.907 4.616 -2.836 624 2HG2 VAL 80 2HG2 VAL 80 -5.586 5.330 -1.375 625 3HG2 VAL 80 3HG2 VAL 80 -4.632 6.320 -2.478 626 H TYR 81 H TYR 81 -9.299 3.604 -3.786 627 HA TYR 81 HA TYR 81 -10.672 5.394 -5.676 628 1HB TYR 81 2HB TYR 81 -11.295 2.531 -5.018 629 2HB TYR 81 1HB TYR 81 -12.280 3.550 -6.033 630 HD1 TYR 81 1HD TYR 81 -11.422 4.314 -8.235 631 HD2 TYR 81 2HD TYR 81 -9.302 1.490 -5.863 632 HE1 TYR 81 1HE TYR 81 -10.101 3.660 -10.203 633 HE2 TYR 81 2HE TYR 81 -7.979 0.828 -7.824 634 HH TYR 81 HH TYR 81 -7.768 2.604 -10.587 635 H SER 82 H SER 82 -12.777 5.981 -5.216 636 HA SER 82 HA SER 82 -13.333 6.279 -2.381 637 1HB SER 82 2HB SER 82 -15.341 7.551 -3.911 638 2HB SER 82 1HB SER 82 -14.007 8.295 -3.028 639 HG SER 82 HG SER 82 -13.436 8.903 -4.967 640 H THR 83 H THR 83 -15.765 6.290 -1.832 641 HA THR 83 HA THR 83 -16.719 3.672 -1.928 642 HB THR 83 HB THR 83 -18.902 4.701 -1.149 643 HG1 THR 83 1HG THR 83 -17.411 7.104 -1.128 644 1HG2 THR 83 1HG2 THR 83 -18.172 5.128 0.995 645 2HG2 THR 83 2HG2 THR 83 -16.658 5.850 0.448 646 3HG2 THR 83 3HG2 THR 83 -16.890 4.104 0.348 647 H ASN 84 H ASN 84 -17.086 6.262 -4.191 648 HA ASN 84 HA ASN 84 -19.259 4.890 -5.582 649 1HB ASN 84 2HB ASN 84 -17.958 7.570 -6.109 650 2HB ASN 84 1HB ASN 84 -19.320 6.913 -7.011 651 1HD2 ASN 84 1HD2 ASN 84 -21.111 6.090 -5.417 652 2HD2 ASN 84 2HD2 ASN 84 -21.579 7.246 -4.221 653 H GLY 85 H GLY 85 -16.494 3.827 -5.475 654 1HA GLY 85 2HA GLY 85 -14.955 2.863 -6.879 655 2HA GLY 85 1HA GLY 85 -16.266 2.824 -8.047 656 H THR 86 H THR 86 -15.151 5.868 -6.807 657 HA THR 86 HA THR 86 -14.229 6.582 -9.479 658 HB THR 86 HB THR 86 -14.239 8.563 -7.259 659 HG1 THR 86 1HG THR 86 -16.273 8.359 -6.862 660 1HG2 THR 86 1HG2 THR 86 -14.629 8.560 -10.172 661 2HG2 THR 86 2HG2 THR 86 -13.881 9.762 -9.120 662 3HG2 THR 86 3HG2 THR 86 -15.637 9.679 -9.254 663 H ARG 87 H ARG 87 -12.180 7.338 -9.943 664 HA ARG 87 HA ARG 87 -10.063 6.289 -8.361 665 1HB ARG 87 2HB ARG 87 -9.633 8.349 -10.502 666 2HB ARG 87 1HB ARG 87 -8.621 6.982 -10.064 667 1HG ARG 87 2HG ARG 87 -11.128 5.967 -10.922 668 2HG ARG 87 1HG ARG 87 -10.581 7.158 -12.103 669 1HD ARG 87 2HD ARG 87 -8.530 6.001 -12.439 670 2HD ARG 87 1HD ARG 87 -8.830 4.942 -11.062 671 HE ARG 87 HE ARG 87 -10.144 3.627 -12.399 672 1HH1 ARG 87 1HH1 ARG 87 -9.596 6.679 -14.000 673 2HH1 ARG 87 2HH1 ARG 87 -10.307 6.165 -15.493 674 1HH2 ARG 87 1HH2 ARG 87 -11.078 2.949 -14.363 675 2HH2 ARG 87 2HH2 ARG 87 -11.148 4.049 -15.699 676 H ILE 88 H ILE 88 -9.599 7.158 -6.438 677 HA ILE 88 HA ILE 88 -9.929 9.975 -5.929 678 HB ILE 88 HB ILE 88 -8.736 7.839 -4.159 679 1HG1 ILE 88 2HG1 ILE 88 -11.536 8.975 -4.319 680 2HG1 ILE 88 1HG1 ILE 88 -11.049 7.324 -4.688 681 1HG2 ILE 88 1HG2 ILE 88 -9.905 10.048 -2.757 682 2HG2 ILE 88 2HG2 ILE 88 -8.698 10.638 -3.899 683 3HG2 ILE 88 3HG2 ILE 88 -8.254 9.432 -2.690 684 1HD1 ILE 88 1HD1 ILE 88 -10.782 6.769 -2.467 685 2HD1 ILE 88 2HD1 ILE 88 -12.169 7.857 -2.422 686 3HD1 ILE 88 3HD1 ILE 88 -10.573 8.446 -1.965 687 H LEU 89 H LEU 89 -7.109 7.868 -5.317 688 HA LEU 89 HA LEU 89 -5.396 9.894 -6.550 689 1HB LEU 89 2HB LEU 89 -5.289 10.600 -4.318 690 2HB LEU 89 1HB LEU 89 -5.267 8.960 -3.704 691 HG LEU 89 HG LEU 89 -2.960 9.756 -5.385 692 1HD1 LEU 89 1HD1 LEU 89 -2.916 10.620 -2.534 693 2HD1 LEU 89 2HD1 LEU 89 -3.628 11.685 -3.746 694 3HD1 LEU 89 3HD1 LEU 89 -1.946 11.176 -3.898 695 1HD2 LEU 89 1HD2 LEU 89 -2.186 8.622 -2.938 696 2HD2 LEU 89 2HD2 LEU 89 -2.261 7.834 -4.514 697 3HD2 LEU 89 3HD2 LEU 89 -3.648 7.765 -3.429 698 H ASN 90 H ASN 90 -3.842 9.066 -7.746 699 HA ASN 90 HA ASN 90 -3.120 6.231 -7.394 700 1HB ASN 90 2HB ASN 90 -4.221 7.426 -9.651 701 2HB ASN 90 1HB ASN 90 -2.499 7.365 -10.016 702 1HD2 ASN 90 1HD2 ASN 90 -1.852 5.028 -8.625 703 2HD2 ASN 90 2HD2 ASN 90 -2.590 3.691 -9.433 704 H LYS 91 H LYS 91 -1.220 6.226 -6.341 705 HA LYS 91 HA LYS 91 0.816 8.180 -7.212 706 1HB LYS 91 2HB LYS 91 0.419 6.948 -4.487 707 2HB LYS 91 1HB LYS 91 1.781 7.962 -4.928 708 1HG LYS 91 2HG LYS 91 -0.935 9.045 -5.391 709 2HG LYS 91 1HG LYS 91 -0.374 8.912 -3.723 710 1HD LYS 91 2HD LYS 91 0.461 10.973 -4.172 711 2HD LYS 91 1HD LYS 91 1.800 10.023 -4.820 712 1HE LYS 91 2HE LYS 91 0.282 10.100 -7.000 713 2HE LYS 91 1HE LYS 91 -0.295 11.579 -6.234 714 1HZ LYS 91 1HZ LYS 91 2.550 10.959 -6.819 715 2HZ LYS 91 2HZ LYS 91 1.961 12.397 -6.149 716 3HZ LYS 91 3HZ LYS 91 1.568 11.981 -7.741 717 H ALA 92 H ALA 92 3.031 7.568 -7.046 718 HA ALA 92 HA ALA 92 3.588 4.694 -7.098 719 1HB ALA 92 1HB ALA 92 4.680 4.742 -9.155 720 2HB ALA 92 2HB ALA 92 4.811 6.501 -9.150 721 3HB ALA 92 3HB ALA 92 3.250 5.735 -9.435 722 H LEU 93 H LEU 93 5.230 4.276 -5.751 723 HA LEU 93 HA LEU 93 7.195 6.418 -5.253 724 1HB LEU 93 2HB LEU 93 6.624 4.307 -3.218 725 2HB LEU 93 1HB LEU 93 7.261 5.924 -2.991 726 HG LEU 93 HG LEU 93 4.919 6.739 -3.687 727 1HD1 LEU 93 1HD1 LEU 93 3.695 5.010 -4.489 728 2HD1 LEU 93 2HD1 LEU 93 3.278 4.839 -2.785 729 3HD1 LEU 93 3HD1 LEU 93 4.525 3.814 -3.493 730 1HD2 LEU 93 1HD2 LEU 93 5.809 6.917 -1.424 731 2HD2 LEU 93 2HD2 LEU 93 5.305 5.262 -1.086 732 3HD2 LEU 93 3HD2 LEU 93 4.095 6.505 -1.398 733 H ASP 94 H ASP 94 9.319 5.651 -4.484 734 HA ASP 94 HA ASP 94 10.070 3.151 -5.845 735 1HB ASP 94 2HB ASP 94 11.440 5.783 -5.520 736 2HB ASP 94 1HB ASP 94 12.436 4.333 -5.607 737 H LEU 95 H LEU 95 11.132 1.579 -4.738 738 HA LEU 95 HA LEU 95 11.906 2.171 -1.962 739 1HB LEU 95 2HB LEU 95 9.685 0.702 -2.669 740 2HB LEU 95 1HB LEU 95 10.892 -0.544 -2.412 741 HG LEU 95 HG LEU 95 10.087 1.552 -0.395 742 1HD1 LEU 95 1HD1 LEU 95 8.731 0.035 0.607 743 2HD1 LEU 95 2HD1 LEU 95 9.642 -1.349 0.004 744 3HD1 LEU 95 3HD1 LEU 95 8.545 -0.481 -1.068 745 1HD2 LEU 95 1HD2 LEU 95 11.591 0.629 1.093 746 2HD2 LEU 95 2HD2 LEU 95 12.495 0.592 -0.420 747 3HD2 LEU 95 3HD2 LEU 95 11.725 -0.875 0.185 748 H ARG 96 H ARG 96 14.106 2.063 -2.191 749 HA ARG 96 HA ARG 96 15.278 -0.165 -3.662 750 1HB ARG 96 2HB ARG 96 17.162 1.657 -2.330 751 2HB ARG 96 1HB ARG 96 17.087 1.104 -3.989 752 1HG ARG 96 2HG ARG 96 15.402 3.310 -2.846 753 2HG ARG 96 1HG ARG 96 16.846 3.522 -3.834 754 1HD ARG 96 2HD ARG 96 14.175 2.405 -4.621 755 2HD ARG 96 1HD ARG 96 15.061 3.750 -5.336 756 HE ARG 96 HE ARG 96 16.705 1.689 -5.812 757 1HH1 ARG 96 1HH1 ARG 96 13.276 2.089 -6.331 758 2HH1 ARG 96 2HH1 ARG 96 13.232 1.022 -7.694 759 1HH2 ARG 96 1HH2 ARG 96 16.647 0.287 -7.604 760 2HH2 ARG 96 2HH2 ARG 96 15.145 0.000 -8.417 761 H ILE 97 H ILE 97 15.959 -1.942 -2.731 762 HA ILE 97 HA ILE 97 16.237 -1.995 0.193 763 HB ILE 97 HB ILE 97 16.050 -4.461 -1.494 764 1HG1 ILE 97 2HG1 ILE 97 14.158 -3.175 -2.241 765 2HG1 ILE 97 1HG1 ILE 97 13.572 -4.403 -1.123 766 1HG2 ILE 97 1HG2 ILE 97 14.844 -5.221 0.616 767 2HG2 ILE 97 2HG2 ILE 97 15.443 -3.735 1.351 768 3HG2 ILE 97 3HG2 ILE 97 16.579 -4.935 0.735 769 1HD1 ILE 97 1HD1 ILE 97 12.519 -2.775 -0.060 770 2HD1 ILE 97 2HD1 ILE 97 13.360 -1.537 -0.991 771 3HD1 ILE 97 3HD1 ILE 97 14.098 -2.193 0.469 772 H LEU 98 H LEU 98 18.329 -1.625 0.692 773 HA LEU 98 HA LEU 98 20.527 -2.407 -0.872 774 1HB LEU 98 2HB LEU 98 20.017 -1.183 1.760 775 2HB LEU 98 1HB LEU 98 21.537 -2.024 1.608 776 HG LEU 98 HG LEU 98 20.612 0.167 -0.234 777 1HD1 LEU 98 1HD1 LEU 98 21.712 1.715 1.015 778 2HD1 LEU 98 2HD1 LEU 98 22.872 0.546 1.647 779 3HD1 LEU 98 3HD1 LEU 98 21.238 0.613 2.307 780 1HD2 LEU 98 1HD2 LEU 98 22.462 -1.761 -0.742 781 2HD2 LEU 98 2HD2 LEU 98 23.462 -0.494 -0.033 782 3HD2 LEU 98 3HD2 LEU 98 22.473 -0.147 -1.451 783 H GLU 99 H GLU 99 21.326 -4.374 -1.102 784 HA GLU 99 HA GLU 99 20.480 -6.558 0.551 785 1HB GLU 99 2HB GLU 99 22.498 -6.407 -1.693 786 2HB GLU 99 1HB GLU 99 22.012 -7.899 -0.900 787 1HG GLU 99 2HG GLU 99 19.651 -7.355 -1.588 788 2HG GLU 99 1HG GLU 99 20.330 -6.073 -2.588 Start of MODEL 10 1 1H ARG 1 1H ARG 1 4.436 9.976 6.940 2 2H ARG 1 2H ARG 1 6.078 9.480 7.009 3 3H ARG 1 3H ARG 1 5.135 9.140 5.617 4 HA ARG 1 HA ARG 1 4.848 11.599 5.403 5 1HB ARG 1 2HB ARG 1 7.305 11.559 7.161 6 2HB ARG 1 1HB ARG 1 6.482 12.971 6.511 7 1HG ARG 1 2HG ARG 1 5.531 13.066 8.532 8 2HG ARG 1 1HG ARG 1 4.475 11.797 7.907 9 1HD ARG 1 2HD ARG 1 5.434 11.278 10.134 10 2HD ARG 1 1HD ARG 1 5.846 10.092 8.898 11 HE ARG 1 HE ARG 1 8.051 10.669 9.122 12 1HH1 ARG 1 1HH1 ARG 1 6.080 13.104 10.660 13 2HH1 ARG 1 2HH1 ARG 1 7.427 13.921 11.377 14 1HH2 ARG 1 1HH2 ARG 1 9.826 11.742 10.065 15 2HH2 ARG 1 2HH2 ARG 1 9.554 13.148 11.039 16 H ASP 2 H ASP 2 7.421 9.241 5.551 17 HA ASP 2 HA ASP 2 9.137 10.384 3.626 18 1HB ASP 2 2HB ASP 2 8.804 7.701 4.864 19 2HB ASP 2 1HB ASP 2 9.704 7.779 3.352 20 H SER 3 H SER 3 7.851 11.107 1.905 21 HA SER 3 HA SER 3 6.406 9.099 0.350 22 1HB SER 3 2HB SER 3 5.999 11.352 -1.051 23 2HB SER 3 1HB SER 3 5.034 10.931 0.363 24 HG SER 3 HG SER 3 5.767 12.669 1.260 25 H GLY 4 H GLY 4 6.774 8.824 -1.915 26 1HA GLY 4 2HA GLY 4 8.047 8.719 -3.841 27 2HA GLY 4 1HA GLY 4 9.052 10.004 -3.192 28 H THR 5 H THR 5 10.951 9.007 -3.876 29 HA THR 5 HA THR 5 11.764 6.401 -3.549 30 HB THR 5 HB THR 5 13.667 8.672 -3.022 31 HG1 THR 5 1HG THR 5 13.376 9.437 -4.948 32 1HG2 THR 5 1HG2 THR 5 13.942 5.920 -3.726 33 2HG2 THR 5 2HG2 THR 5 15.188 7.112 -3.354 34 3HG2 THR 5 3HG2 THR 5 14.602 6.935 -5.009 35 H VAL 6 H VAL 6 12.839 5.236 -2.030 36 HA VAL 6 HA VAL 6 13.090 6.346 0.657 37 HB VAL 6 HB VAL 6 10.854 5.010 0.132 38 1HG1 VAL 6 1HG1 VAL 6 10.934 2.750 0.318 39 2HG1 VAL 6 2HG1 VAL 6 12.528 2.759 1.076 40 3HG1 VAL 6 3HG1 VAL 6 12.365 3.118 -0.644 41 1HG2 VAL 6 1HG2 VAL 6 12.544 4.812 2.616 42 2HG2 VAL 6 2HG2 VAL 6 10.900 4.184 2.533 43 3HG2 VAL 6 3HG2 VAL 6 11.196 5.905 2.299 44 H TRP 7 H TRP 7 14.517 5.148 2.025 45 HA TRP 7 HA TRP 7 16.228 3.249 0.563 46 1HB TRP 7 2HB TRP 7 17.070 5.336 2.585 47 2HB TRP 7 1HB TRP 7 18.139 4.125 1.878 48 HD1 TRP 7 HD TRP 7 16.139 7.266 0.903 49 HE1 TRP 7 1HE TRP 7 17.138 8.225 -1.266 50 HE3 TRP 7 3HE TRP 7 19.495 3.557 -0.147 51 HZ2 TRP 7 2HZ TRP 7 19.095 7.504 -3.170 52 HZ3 TRP 7 3HZ TRP 7 20.894 3.767 -2.161 53 HH2 TRP 7 HH TRP 7 20.697 5.700 -3.641 54 H GLY 8 H GLY 8 16.586 1.337 1.483 55 1HA GLY 8 2HA GLY 8 16.207 1.021 4.374 56 2HA GLY 8 1HA GLY 8 15.113 0.116 3.349 57 H ALA 9 H ALA 9 16.386 -1.496 4.888 58 HA ALA 9 HA ALA 9 18.603 -2.561 3.269 59 1HB ALA 9 1HB ALA 9 19.638 -3.403 5.329 60 2HB ALA 9 2HB ALA 9 18.388 -2.594 6.277 61 3HB ALA 9 3HB ALA 9 19.522 -1.643 5.317 62 H LEU 10 H LEU 10 18.491 -4.661 2.746 63 HA LEU 10 HA LEU 10 16.084 -6.055 2.869 64 1HB LEU 10 2HB LEU 10 18.478 -6.402 1.597 65 2HB LEU 10 1HB LEU 10 18.502 -7.730 2.742 66 HG LEU 10 HG LEU 10 16.136 -8.268 1.807 67 1HD1 LEU 10 1HD1 LEU 10 16.390 -7.615 -0.779 68 2HD1 LEU 10 2HD1 LEU 10 17.131 -6.193 -0.046 69 3HD1 LEU 10 3HD1 LEU 10 15.479 -6.642 0.377 70 1HD2 LEU 10 1HD2 LEU 10 17.081 -9.804 0.333 71 2HD2 LEU 10 2HD2 LEU 10 18.358 -9.494 1.509 72 3HD2 LEU 10 3HD2 LEU 10 18.418 -8.728 -0.077 73 H GLY 11 H GLY 11 15.123 -7.300 4.325 74 1HA GLY 11 2HA GLY 11 15.012 -8.864 6.079 75 2HA GLY 11 1HA GLY 11 16.688 -8.511 6.469 76 H HIS 12 H HIS 12 15.476 -5.523 6.126 77 HA HIS 12 HA HIS 12 14.782 -5.381 8.973 78 1HB HIS 12 2HB HIS 12 16.451 -3.874 8.962 79 2HB HIS 12 1HB HIS 12 16.473 -3.799 7.208 80 HD1 HIS 12 1HD HIS 12 15.118 -2.048 10.210 81 HD2 HIS 12 2HD HIS 12 15.065 -1.726 6.079 82 HE1 HIS 12 1HE HIS 12 14.284 0.280 9.736 83 HE2 HIS 12 2HE HIS 12 14.373 0.497 7.226 84 H GLY 13 H GLY 13 13.269 -3.480 9.476 85 1HA GLY 13 2HA GLY 13 10.835 -3.948 8.020 86 2HA GLY 13 1HA GLY 13 11.033 -2.886 9.405 87 H ILE 14 H ILE 14 9.392 -2.135 7.357 88 HA ILE 14 HA ILE 14 10.365 0.406 6.704 89 HB ILE 14 HB ILE 14 11.791 -0.954 5.150 90 1HG1 ILE 14 2HG1 ILE 14 10.856 0.473 3.058 91 2HG1 ILE 14 1HG1 ILE 14 10.034 1.294 4.380 92 1HG2 ILE 14 1HG2 ILE 14 10.605 -1.668 3.015 93 2HG2 ILE 14 2HG2 ILE 14 9.119 -1.607 3.960 94 3HG2 ILE 14 3HG2 ILE 14 10.419 -2.701 4.431 95 1HD1 ILE 14 1HD1 ILE 14 12.003 2.031 5.321 96 2HD1 ILE 14 2HD1 ILE 14 12.348 2.128 3.594 97 3HD1 ILE 14 3HD1 ILE 14 12.968 0.775 4.543 98 H ASP 15 H ASP 15 8.723 1.727 6.076 99 HA ASP 15 HA ASP 15 6.164 0.426 5.407 100 1HB ASP 15 2HB ASP 15 6.599 1.706 7.716 101 2HB ASP 15 1HB ASP 15 6.157 3.093 6.724 102 H LEU 16 H LEU 16 5.425 0.904 3.464 103 HA LEU 16 HA LEU 16 6.551 3.040 1.899 104 1HB LEU 16 2HB LEU 16 4.929 0.681 1.455 105 2HB LEU 16 1HB LEU 16 4.243 2.052 0.621 106 HG LEU 16 HG LEU 16 5.690 1.830 -1.050 107 1HD1 LEU 16 1HD1 LEU 16 7.915 1.745 0.977 108 2HD1 LEU 16 2HD1 LEU 16 7.353 3.154 0.071 109 3HD1 LEU 16 3HD1 LEU 16 8.133 1.817 -0.770 110 1HD2 LEU 16 1HD2 LEU 16 5.375 -0.519 -0.689 111 2HD2 LEU 16 2HD2 LEU 16 6.663 -0.548 0.516 112 3HD2 LEU 16 3HD2 LEU 16 7.045 -0.231 -1.177 113 H ASP 17 H ASP 17 5.973 5.072 2.471 114 HA ASP 17 HA ASP 17 3.267 5.603 3.373 115 1HB ASP 17 2HB ASP 17 5.779 7.243 3.258 116 2HB ASP 17 1HB ASP 17 4.214 7.989 3.577 117 H ILE 18 H ILE 18 1.693 6.307 2.165 118 HA ILE 18 HA ILE 18 2.087 6.948 -0.615 119 HB ILE 18 HB ILE 18 -0.424 6.979 1.052 120 1HG1 ILE 18 2HG1 ILE 18 1.011 4.831 -0.439 121 2HG1 ILE 18 1HG1 ILE 18 0.218 4.751 1.120 122 1HG2 ILE 18 1HG2 ILE 18 -0.253 6.742 -1.935 123 2HG2 ILE 18 2HG2 ILE 18 -0.422 8.296 -1.118 124 3HG2 ILE 18 3HG2 ILE 18 -1.670 7.064 -0.937 125 1HD1 ILE 18 1HD1 ILE 18 -1.057 4.722 -1.581 126 2HD1 ILE 18 2HD1 ILE 18 -1.965 5.000 -0.093 127 3HD1 ILE 18 3HD1 ILE 18 -1.102 3.481 -0.329 128 HA PRO 19 HA PRO 19 2.540 11.343 0.264 129 1HB PRO 19 2HB PRO 19 2.107 11.576 -2.656 130 2HB PRO 19 1HB PRO 19 3.445 12.167 -1.666 131 1HG PRO 19 2HG PRO 19 3.760 10.067 -3.283 132 2HG PRO 19 1HG PRO 19 4.540 10.125 -1.691 133 1HD PRO 19 2HD PRO 19 2.088 8.640 -2.549 134 2HD PRO 19 1HD PRO 19 3.405 8.115 -1.480 135 H ASN 20 H ASN 20 1.056 12.756 0.851 136 HA ASN 20 HA ASN 20 -1.011 13.641 1.265 137 1HB ASN 20 2HB ASN 20 -0.497 13.882 -1.654 138 2HB ASN 20 1HB ASN 20 -2.090 14.343 -1.062 139 1HD2 ASN 20 1HD2 ASN 20 1.204 14.691 0.210 140 2HD2 ASN 20 2HD2 ASN 20 1.113 16.400 0.449 141 H PHE 21 H PHE 21 -1.657 11.291 1.918 142 HA PHE 21 HA PHE 21 -4.184 10.743 0.590 143 1HB PHE 21 2HB PHE 21 -2.988 9.100 -0.489 144 2HB PHE 21 1HB PHE 21 -1.882 8.861 0.854 145 HD1 PHE 21 1HD PHE 21 -5.480 8.424 0.002 146 HD2 PHE 21 2HD PHE 21 -2.087 6.966 2.091 147 HE1 PHE 21 1HE PHE 21 -6.777 6.458 0.736 148 HE2 PHE 21 2HE PHE 21 -3.365 4.994 2.824 149 HZ PHE 21 HZ PHE 21 -5.718 4.739 2.142 150 H GLN 22 H GLN 22 -5.735 9.755 1.935 151 HA GLN 22 HA GLN 22 -4.999 9.326 4.733 152 1HB GLN 22 2HB GLN 22 -6.841 11.420 3.692 153 2HB GLN 22 1HB GLN 22 -7.305 10.592 5.172 154 1HG GLN 22 2HG GLN 22 -4.838 11.171 5.874 155 2HG GLN 22 1HG GLN 22 -5.032 12.432 4.657 156 1HE2 GLN 22 1HE2 GLN 22 -5.496 14.282 5.591 157 2HE2 GLN 22 2HE2 GLN 22 -6.583 14.515 6.914 158 H MET 23 H MET 23 -5.701 7.377 5.268 159 HA MET 23 HA MET 23 -7.768 6.060 3.757 160 1HB MET 23 2HB MET 23 -5.740 4.887 4.622 161 2HB MET 23 1HB MET 23 -6.355 5.111 6.255 162 1HG MET 23 2HG MET 23 -8.252 3.861 4.412 163 2HG MET 23 1HG MET 23 -6.786 2.925 4.701 164 1HE MET 23 1HE MET 23 -9.989 3.985 5.496 165 2HE MET 23 2HE MET 23 -10.120 4.269 7.232 166 3HE MET 23 3HE MET 23 -10.432 2.662 6.574 167 H THR 24 H THR 24 -9.510 7.537 4.260 168 HA THR 24 HA THR 24 -10.638 7.112 6.949 169 HB THR 24 HB THR 24 -12.024 9.251 5.987 170 HG1 THR 24 1HG THR 24 -10.454 10.628 5.047 171 1HG2 THR 24 1HG2 THR 24 -11.190 10.270 7.766 172 2HG2 THR 24 2HG2 THR 24 -9.544 10.180 7.138 173 3HG2 THR 24 3HG2 THR 24 -10.223 8.821 8.036 174 H ASP 25 H ASP 25 -13.200 7.802 6.643 175 HA ASP 25 HA ASP 25 -14.411 5.564 5.530 176 1HB ASP 25 2HB ASP 25 -15.635 8.286 6.032 177 2HB ASP 25 1HB ASP 25 -16.535 6.795 5.777 178 H ASP 26 H ASP 26 -13.562 8.617 4.072 179 HA ASP 26 HA ASP 26 -15.175 8.474 1.775 180 1HB ASP 26 2HB ASP 26 -12.494 9.798 2.222 181 2HB ASP 26 1HB ASP 26 -13.473 10.025 0.776 182 H ILE 27 H ILE 27 -12.181 6.910 2.626 183 HA ILE 27 HA ILE 27 -11.638 6.040 -0.068 184 HB ILE 27 HB ILE 27 -10.316 5.298 2.544 185 1HG1 ILE 27 2HG1 ILE 27 -9.935 7.620 2.191 186 2HG1 ILE 27 1HG1 ILE 27 -8.499 6.809 1.617 187 1HG2 ILE 27 1HG2 ILE 27 -9.953 3.588 0.872 188 2HG2 ILE 27 2HG2 ILE 27 -8.467 4.497 1.141 189 3HG2 ILE 27 3HG2 ILE 27 -9.441 4.806 -0.296 190 1HD1 ILE 27 1HD1 ILE 27 -10.545 8.311 0.119 191 2HD1 ILE 27 2HD1 ILE 27 -9.823 6.915 -0.681 192 3HD1 ILE 27 3HD1 ILE 27 -8.797 8.232 -0.109 193 H ASP 28 H ASP 28 -12.419 4.114 -0.938 194 HA ASP 28 HA ASP 28 -13.649 2.218 0.934 195 1HB ASP 28 2HB ASP 28 -14.758 3.517 -1.265 196 2HB ASP 28 1HB ASP 28 -14.443 1.884 -1.841 197 H GLU 29 H GLU 29 -11.692 2.419 -2.067 198 HA GLU 29 HA GLU 29 -10.814 -0.330 -1.440 199 1HB GLU 29 2HB GLU 29 -12.368 -0.241 -3.379 200 2HB GLU 29 1HB GLU 29 -11.222 0.790 -4.214 201 1HG GLU 29 2HG GLU 29 -9.576 -0.983 -4.209 202 2HG GLU 29 1HG GLU 29 -10.671 -2.019 -3.293 203 H VAL 30 H VAL 30 -8.721 -0.411 -0.972 204 HA VAL 30 HA VAL 30 -6.879 1.471 -2.314 205 HB VAL 30 HB VAL 30 -6.407 0.260 0.425 206 1HG1 VAL 30 1HG1 VAL 30 -4.843 1.920 -1.419 207 2HG1 VAL 30 2HG1 VAL 30 -4.316 0.838 -0.129 208 3HG1 VAL 30 3HG1 VAL 30 -4.862 2.472 0.257 209 1HG2 VAL 30 1HG2 VAL 30 -7.071 2.303 1.420 210 2HG2 VAL 30 2HG2 VAL 30 -8.363 1.866 0.303 211 3HG2 VAL 30 3HG2 VAL 30 -7.196 3.110 -0.144 212 H ARG 31 H ARG 31 -5.553 0.460 -3.709 213 HA ARG 31 HA ARG 31 -4.857 -2.346 -3.144 214 1HB ARG 31 2HB ARG 31 -4.451 -2.345 -5.731 215 2HB ARG 31 1HB ARG 31 -6.070 -2.550 -5.080 216 1HG ARG 31 2HG ARG 31 -6.743 -0.441 -5.722 217 2HG ARG 31 1HG ARG 31 -5.091 0.180 -5.781 218 1HD ARG 31 2HD ARG 31 -6.209 -0.180 -8.014 219 2HD ARG 31 1HD ARG 31 -4.638 -0.954 -7.807 220 HE ARG 31 HE ARG 31 -6.586 -2.803 -7.077 221 1HH1 ARG 31 1HH1 ARG 31 -5.555 -1.094 -9.940 222 2HH1 ARG 31 2HH1 ARG 31 -6.073 -2.343 -11.023 223 1HH2 ARG 31 1HH2 ARG 31 -7.268 -4.445 -8.499 224 2HH2 ARG 31 2HH2 ARG 31 -7.046 -4.244 -10.205 225 H TRP 32 H TRP 32 -2.815 -2.975 -3.148 226 HA TRP 32 HA TRP 32 -0.737 -0.970 -3.740 227 1HB TRP 32 2HB TRP 32 -0.870 -3.206 -1.725 228 2HB TRP 32 1HB TRP 32 0.673 -2.548 -2.244 229 HD1 TRP 32 HD TRP 32 -2.427 -1.643 -0.176 230 HE1 TRP 32 1HE TRP 32 -1.876 0.426 1.251 231 HE3 TRP 32 3HE TRP 32 2.140 -0.487 -2.156 232 HZ2 TRP 32 2HZ TRP 32 0.222 2.307 1.498 233 HZ3 TRP 32 3HZ TRP 32 3.352 1.464 -1.272 234 HH2 TRP 32 HH TRP 32 2.410 2.829 0.520 235 H GLU 33 H GLU 33 -0.617 -1.505 -5.949 236 HA GLU 33 HA GLU 33 0.071 -4.276 -6.591 237 1HB GLU 33 2HB GLU 33 -0.599 -1.966 -8.420 238 2HB GLU 33 1HB GLU 33 -0.274 -3.614 -8.939 239 1HG GLU 33 2HG GLU 33 -2.221 -4.415 -7.769 240 2HG GLU 33 1HG GLU 33 -2.523 -2.806 -7.111 241 H ARG 34 H ARG 34 1.915 -4.914 -7.540 242 HA ARG 34 HA ARG 34 4.014 -2.915 -8.016 243 1HB ARG 34 2HB ARG 34 4.281 -4.087 -5.783 244 2HB ARG 34 1HB ARG 34 4.509 -5.581 -6.681 245 1HG ARG 34 2HG ARG 34 6.426 -4.465 -7.855 246 2HG ARG 34 1HG ARG 34 6.259 -3.139 -6.703 247 1HD ARG 34 2HD ARG 34 7.976 -4.700 -5.972 248 2HD ARG 34 1HD ARG 34 6.610 -4.704 -4.856 249 HE ARG 34 HE ARG 34 6.519 -6.740 -6.903 250 1HH1 ARG 34 1HH1 ARG 34 7.535 -5.931 -3.662 251 2HH1 ARG 34 2HH1 ARG 34 7.587 -7.580 -3.135 252 1HH2 ARG 34 1HH2 ARG 34 6.590 -8.906 -6.210 253 2HH2 ARG 34 2HH2 ARG 34 7.053 -9.268 -4.580 254 H GLY 35 H GLY 35 4.529 -3.061 -10.116 255 1HA GLY 35 2HA GLY 35 4.957 -3.965 -12.193 256 2HA GLY 35 1HA GLY 35 5.469 -5.405 -11.332 257 H SER 36 H SER 36 4.372 -7.165 -11.725 258 HA SER 36 HA SER 36 1.599 -6.927 -12.697 259 1HB SER 36 2HB SER 36 3.340 -7.743 -14.372 260 2HB SER 36 1HB SER 36 3.476 -9.194 -13.379 261 HG SER 36 HG SER 36 1.240 -9.539 -13.723 262 H THR 37 H THR 37 2.072 -7.029 -9.981 263 HA THR 37 HA THR 37 0.735 -9.508 -9.293 264 HB THR 37 HB THR 37 3.447 -8.793 -8.169 265 HG1 THR 37 1HG THR 37 4.114 -10.266 -9.479 266 1HG2 THR 37 1HG2 THR 37 3.255 -10.840 -6.813 267 2HG2 THR 37 2HG2 THR 37 1.554 -10.948 -7.263 268 3HG2 THR 37 3HG2 THR 37 2.132 -9.572 -6.320 269 H LEU 38 H LEU 38 -0.075 -9.518 -7.077 270 HA LEU 38 HA LEU 38 -0.634 -6.788 -6.133 271 1HB LEU 38 2HB LEU 38 -2.141 -9.303 -6.147 272 2HB LEU 38 1HB LEU 38 -2.160 -8.497 -4.598 273 HG LEU 38 HG LEU 38 -3.149 -7.378 -7.217 274 1HD1 LEU 38 1HD1 LEU 38 -5.077 -8.258 -6.570 275 2HD1 LEU 38 2HD1 LEU 38 -5.035 -7.234 -5.134 276 3HD1 LEU 38 3HD1 LEU 38 -4.343 -8.857 -5.081 277 1HD2 LEU 38 1HD2 LEU 38 -3.867 -5.453 -5.715 278 2HD2 LEU 38 2HD2 LEU 38 -2.157 -5.533 -6.140 279 3HD2 LEU 38 3HD2 LEU 38 -2.696 -6.068 -4.548 280 H VAL 39 H VAL 39 -0.343 -6.225 -3.971 281 HA VAL 39 HA VAL 39 1.387 -8.050 -2.446 282 HB VAL 39 HB VAL 39 1.507 -5.043 -2.678 283 1HG1 VAL 39 1HG1 VAL 39 2.928 -6.819 -0.698 284 2HG1 VAL 39 2HG1 VAL 39 1.724 -5.581 -0.335 285 3HG1 VAL 39 3HG1 VAL 39 3.299 -5.119 -0.983 286 1HG2 VAL 39 1HG2 VAL 39 3.535 -5.334 -3.735 287 2HG2 VAL 39 2HG2 VAL 39 2.692 -6.790 -4.270 288 3HG2 VAL 39 3HG2 VAL 39 3.846 -6.878 -2.939 289 H ALA 40 H ALA 40 -1.068 -5.517 -2.272 290 HA ALA 40 HA ALA 40 -2.483 -6.788 -0.184 291 1HB ALA 40 1HB ALA 40 -1.031 -4.306 0.710 292 2HB ALA 40 2HB ALA 40 -0.489 -5.944 1.080 293 3HB ALA 40 3HB ALA 40 -2.047 -5.372 1.679 294 H GLU 41 H GLU 41 -4.493 -6.292 -0.787 295 HA GLU 41 HA GLU 41 -5.085 -3.487 -1.427 296 1HB GLU 41 2HB GLU 41 -6.215 -4.027 -3.320 297 2HB GLU 41 1HB GLU 41 -5.138 -5.415 -3.294 298 1HG GLU 41 2HG GLU 41 -7.085 -6.455 -1.859 299 2HG GLU 41 1HG GLU 41 -8.036 -5.248 -2.707 300 H PHE 42 H PHE 42 -7.246 -2.801 -0.966 301 HA PHE 42 HA PHE 42 -8.647 -4.393 1.054 302 1HB PHE 42 2HB PHE 42 -7.363 -2.646 2.153 303 2HB PHE 42 1HB PHE 42 -8.061 -1.429 1.100 304 HD1 PHE 42 1HD PHE 42 -8.574 -3.479 4.054 305 HD2 PHE 42 2HD PHE 42 -10.406 -0.789 1.314 306 HE1 PHE 42 1HE PHE 42 -10.425 -3.130 5.639 307 HE2 PHE 42 2HE PHE 42 -12.258 -0.434 2.888 308 HZ PHE 42 HZ PHE 42 -12.270 -1.605 5.058 309 H LYS 43 H LYS 43 -10.877 -4.258 1.039 310 HA LYS 43 HA LYS 43 -12.203 -2.424 -0.781 311 1HB LYS 43 2HB LYS 43 -11.515 -4.862 -1.781 312 2HB LYS 43 1HB LYS 43 -13.113 -5.206 -1.132 313 1HG LYS 43 2HG LYS 43 -12.546 -2.920 -3.001 314 2HG LYS 43 1HG LYS 43 -13.048 -4.525 -3.541 315 1HD LYS 43 2HD LYS 43 -15.181 -4.220 -2.871 316 2HD LYS 43 1HD LYS 43 -14.707 -3.330 -1.422 317 1HE LYS 43 2HE LYS 43 -14.296 -1.341 -2.763 318 2HE LYS 43 1HE LYS 43 -14.713 -2.226 -4.230 319 1HZ LYS 43 1HZ LYS 43 -16.573 -1.764 -1.962 320 2HZ LYS 43 2HZ LYS 43 -16.952 -2.477 -3.449 321 3HZ LYS 43 3HZ LYS 43 -16.540 -0.838 -3.378 322 H ARG 44 H ARG 44 -13.749 -1.561 0.440 323 HA ARG 44 HA ARG 44 -14.687 -2.519 2.833 324 1HB ARG 44 2HB ARG 44 -15.034 -0.222 2.198 325 2HB ARG 44 1HB ARG 44 -16.069 -0.718 0.867 326 1HG ARG 44 2HG ARG 44 -17.864 -1.040 2.202 327 2HG ARG 44 1HG ARG 44 -16.889 -1.598 3.564 328 1HD ARG 44 2HD ARG 44 -17.173 1.260 2.641 329 2HD ARG 44 1HD ARG 44 -17.959 0.546 4.048 330 HE ARG 44 HE ARG 44 -15.140 0.233 4.180 331 1HH1 ARG 44 1HH1 ARG 44 -17.685 2.582 4.615 332 2HH1 ARG 44 2HH1 ARG 44 -16.787 3.530 5.751 333 1HH2 ARG 44 1HH2 ARG 44 -13.956 1.480 5.675 334 2HH2 ARG 44 2HH2 ARG 44 -14.670 2.906 6.353 335 H LYS 45 H LYS 45 -16.384 -2.628 -0.172 336 HA LYS 45 HA LYS 45 -18.282 -4.571 0.810 337 1HB LYS 45 2HB LYS 45 -17.923 -3.238 -1.875 338 2HB LYS 45 1HB LYS 45 -19.155 -4.456 -1.570 339 1HG LYS 45 2HG LYS 45 -18.909 -1.873 -0.043 340 2HG LYS 45 1HG LYS 45 -19.980 -2.125 -1.422 341 1HD LYS 45 2HD LYS 45 -21.480 -2.681 0.165 342 2HD LYS 45 1HD LYS 45 -20.653 -4.239 0.126 343 1HE LYS 45 2HE LYS 45 -19.649 -3.910 2.131 344 2HE LYS 45 1HE LYS 45 -19.486 -2.173 1.885 345 1HZ LYS 45 1HZ LYS 45 -21.151 -3.116 3.633 346 2HZ LYS 45 2HZ LYS 45 -22.166 -3.295 2.291 347 3HZ LYS 45 3HZ LYS 45 -21.567 -1.767 2.698 348 H MET 46 H MET 46 -15.799 -5.658 1.015 349 HA MET 46 HA MET 46 -16.028 -8.105 -0.275 350 1HB MET 46 2HB MET 46 -14.817 -6.060 -1.899 351 2HB MET 46 1HB MET 46 -13.644 -7.321 -1.555 352 1HG MET 46 2HG MET 46 -16.271 -8.329 -2.320 353 2HG MET 46 1HG MET 46 -15.483 -7.363 -3.566 354 1HE MET 46 1HE MET 46 -13.999 -11.051 -1.459 355 2HE MET 46 2HE MET 46 -15.433 -11.349 -2.440 356 3HE MET 46 3HE MET 46 -15.464 -10.108 -1.188 357 H LYS 47 H LYS 47 -13.527 -9.076 -0.416 358 HA LYS 47 HA LYS 47 -12.476 -8.590 2.289 359 1HB LYS 47 2HB LYS 47 -12.747 -11.024 0.600 360 2HB LYS 47 1HB LYS 47 -11.345 -10.928 1.657 361 1HG LYS 47 2HG LYS 47 -13.262 -10.244 3.401 362 2HG LYS 47 1HG LYS 47 -14.198 -11.271 2.313 363 1HD LYS 47 2HD LYS 47 -13.011 -13.153 2.850 364 2HD LYS 47 1HD LYS 47 -11.543 -12.250 3.230 365 1HE LYS 47 2HE LYS 47 -12.143 -12.781 5.348 366 2HE LYS 47 1HE LYS 47 -13.120 -11.323 5.174 367 1HZ LYS 47 1HZ LYS 47 -14.307 -13.857 4.330 368 2HZ LYS 47 2HZ LYS 47 -15.035 -12.510 5.047 369 3HZ LYS 47 3HZ LYS 47 -14.143 -13.591 5.993 370 HA PRO 48 HA PRO 48 -8.759 -7.046 0.438 371 1HB PRO 48 2HB PRO 48 -7.078 -7.252 2.539 372 2HB PRO 48 1HB PRO 48 -8.374 -6.052 2.480 373 1HG PRO 48 2HG PRO 48 -8.296 -8.689 3.893 374 2HG PRO 48 1HG PRO 48 -8.913 -7.129 4.467 375 1HD PRO 48 2HD PRO 48 -10.519 -9.110 3.508 376 2HD PRO 48 1HD PRO 48 -10.923 -7.387 3.386 377 H PHE 49 H PHE 49 -6.738 -7.704 -0.349 378 HA PHE 49 HA PHE 49 -6.247 -10.604 -0.183 379 1HB PHE 49 2HB PHE 49 -6.816 -10.082 -2.433 380 2HB PHE 49 1HB PHE 49 -5.794 -8.649 -2.439 381 HD1 PHE 49 1HD PHE 49 -3.417 -8.812 -2.802 382 HD2 PHE 49 2HD PHE 49 -5.844 -12.308 -2.634 383 HE1 PHE 49 1HE PHE 49 -1.574 -10.131 -3.739 384 HE2 PHE 49 2HE PHE 49 -3.998 -13.635 -3.573 385 HZ PHE 49 HZ PHE 49 -1.857 -12.548 -4.124 386 H LEU 50 H LEU 50 -4.701 -10.862 1.331 387 HA LEU 50 HA LEU 50 -2.425 -9.045 1.394 388 1HB LEU 50 2HB LEU 50 -3.674 -10.966 3.258 389 2HB LEU 50 1HB LEU 50 -1.925 -10.884 3.335 390 HG LEU 50 HG LEU 50 -3.855 -8.606 3.773 391 1HD1 LEU 50 1HD1 LEU 50 -2.610 -8.627 6.017 392 2HD1 LEU 50 2HD1 LEU 50 -2.115 -10.259 5.565 393 3HD1 LEU 50 3HD1 LEU 50 -3.828 -9.869 5.727 394 1HD2 LEU 50 1HD2 LEU 50 -0.975 -8.656 3.170 395 2HD2 LEU 50 2HD2 LEU 50 -1.457 -7.642 4.532 396 3HD2 LEU 50 3HD2 LEU 50 -2.166 -7.378 2.938 397 H LYS 51 H LYS 51 -0.759 -9.509 0.076 398 HA LYS 51 HA LYS 51 -0.357 -11.788 -1.386 399 1HB LYS 51 2HB LYS 51 0.871 -9.734 -1.799 400 2HB LYS 51 1HB LYS 51 1.746 -9.917 -0.286 401 1HG LYS 51 2HG LYS 51 2.899 -11.841 -1.109 402 2HG LYS 51 1HG LYS 51 1.898 -11.881 -2.561 403 1HD LYS 51 2HD LYS 51 2.866 -9.382 -2.745 404 2HD LYS 51 1HD LYS 51 4.197 -10.152 -1.881 405 1HE LYS 51 2HE LYS 51 4.474 -11.776 -3.609 406 2HE LYS 51 1HE LYS 51 2.991 -11.258 -4.409 407 1HZ LYS 51 1HZ LYS 51 4.014 -9.518 -5.366 408 2HZ LYS 51 2HZ LYS 51 5.416 -10.428 -5.117 409 3HZ LYS 51 3HZ LYS 51 5.001 -9.200 -4.031 410 H SER 52 H SER 52 0.975 -11.083 1.834 411 HA SER 52 HA SER 52 0.925 -13.774 2.648 412 1HB SER 52 2HB SER 52 3.287 -14.334 2.663 413 2HB SER 52 1HB SER 52 2.798 -13.945 1.014 414 HG SER 52 HG SER 52 3.614 -11.775 1.489 415 H GLY 53 H GLY 53 2.062 -14.105 4.742 416 1HA GLY 53 2HA GLY 53 1.385 -12.140 6.570 417 2HA GLY 53 1HA GLY 53 2.496 -13.440 6.952 418 H ALA 54 H ALA 54 4.104 -12.085 4.486 419 HA ALA 54 HA ALA 54 5.888 -10.695 6.212 420 1HB ALA 54 1HB ALA 54 6.191 -10.297 3.315 421 2HB ALA 54 2HB ALA 54 6.196 -11.973 3.862 422 3HB ALA 54 3HB ALA 54 7.365 -10.827 4.519 423 H PHE 55 H PHE 55 3.011 -9.698 5.004 424 HA PHE 55 HA PHE 55 3.850 -6.885 5.106 425 1HB PHE 55 2HB PHE 55 1.764 -7.984 3.217 426 2HB PHE 55 1HB PHE 55 2.271 -6.310 3.348 427 HD1 PHE 55 1HD PHE 55 4.643 -5.723 2.767 428 HD2 PHE 55 2HD PHE 55 2.887 -9.471 1.796 429 HE1 PHE 55 1HE PHE 55 6.365 -6.076 1.050 430 HE2 PHE 55 2HE PHE 55 4.611 -9.841 0.080 431 HZ PHE 55 HZ PHE 55 6.354 -8.141 -0.297 432 H GLU 56 H GLU 56 2.193 -5.401 5.740 433 HA GLU 56 HA GLU 56 -0.247 -6.462 6.879 434 1HB GLU 56 2HB GLU 56 2.015 -5.389 8.532 435 2HB GLU 56 1HB GLU 56 0.357 -5.149 9.062 436 1HG GLU 56 2HG GLU 56 0.593 -7.113 10.081 437 2HG GLU 56 1HG GLU 56 0.377 -7.811 8.476 438 H ILE 57 H ILE 57 -1.785 -5.101 6.261 439 HA ILE 57 HA ILE 57 -1.158 -2.489 5.285 440 HB ILE 57 HB ILE 57 -2.959 -3.875 4.307 441 1HG1 ILE 57 2HG1 ILE 57 -4.374 -1.451 5.278 442 2HG1 ILE 57 1HG1 ILE 57 -2.824 -1.202 4.483 443 1HG2 ILE 57 1HG2 ILE 57 -3.778 -4.252 6.906 444 2HG2 ILE 57 2HG2 ILE 57 -4.689 -4.683 5.460 445 3HG2 ILE 57 3HG2 ILE 57 -4.987 -3.142 6.260 446 1HD1 ILE 57 1HD1 ILE 57 -3.597 -1.892 2.454 447 2HD1 ILE 57 2HD1 ILE 57 -5.071 -1.201 3.134 448 3HD1 ILE 57 3HD1 ILE 57 -4.825 -2.947 3.156 449 H LEU 58 H LEU 58 -0.547 -1.006 6.716 450 HA LEU 58 HA LEU 58 -1.199 -0.797 9.386 451 1HB LEU 58 2HB LEU 58 0.125 0.791 7.426 452 2HB LEU 58 1HB LEU 58 -0.933 1.840 8.347 453 HG LEU 58 HG LEU 58 0.172 1.315 10.391 454 1HD1 LEU 58 1HD1 LEU 58 1.219 -0.986 8.847 455 2HD1 LEU 58 2HD1 LEU 58 0.680 -0.893 10.524 456 3HD1 LEU 58 3HD1 LEU 58 2.273 -0.285 10.074 457 1HD2 LEU 58 1HD2 LEU 58 1.519 2.927 9.577 458 2HD2 LEU 58 2HD2 LEU 58 1.773 2.089 8.045 459 3HD2 LEU 58 3HD2 LEU 58 2.690 1.612 9.475 460 H ALA 59 H ALA 59 -2.383 1.190 10.338 461 HA ALA 59 HA ALA 59 -5.141 0.881 9.794 462 1HB ALA 59 1HB ALA 59 -5.473 2.050 11.695 463 2HB ALA 59 2HB ALA 59 -4.298 3.292 11.266 464 3HB ALA 59 3HB ALA 59 -3.751 1.751 11.925 465 H ASN 60 H ASN 60 -2.734 3.096 8.612 466 HA ASN 60 HA ASN 60 -4.774 4.831 7.444 467 1HB ASN 60 2HB ASN 60 -3.011 6.380 6.967 468 2HB ASN 60 1HB ASN 60 -2.766 5.800 8.610 469 1HD2 ASN 60 1HD2 ASN 60 -1.387 6.240 5.579 470 2HD2 ASN 60 2HD2 ASN 60 0.078 5.364 5.835 471 H GLY 61 H GLY 61 -4.452 2.115 6.485 472 1HA GLY 61 2HA GLY 61 -4.367 0.977 4.493 473 2HA GLY 61 1HA GLY 61 -4.603 2.541 3.730 474 H ASP 62 H ASP 62 -1.834 1.965 5.751 475 HA ASP 62 HA ASP 62 -0.104 2.381 3.452 476 1HB ASP 62 2HB ASP 62 0.057 3.380 5.944 477 2HB ASP 62 1HB ASP 62 1.075 1.956 6.141 478 H LEU 63 H LEU 63 2.058 1.103 3.564 479 HA LEU 63 HA LEU 63 1.350 -1.774 3.793 480 1HB LEU 63 2HB LEU 63 1.971 -0.772 1.527 481 2HB LEU 63 1HB LEU 63 3.598 -0.605 2.159 482 HG LEU 63 HG LEU 63 3.363 -3.167 2.662 483 1HD1 LEU 63 1HD1 LEU 63 1.647 -3.106 0.227 484 2HD1 LEU 63 2HD1 LEU 63 0.893 -2.949 1.815 485 3HD1 LEU 63 3HD1 LEU 63 1.853 -4.381 1.432 486 1HD2 LEU 63 1HD2 LEU 63 4.029 -3.521 0.159 487 2HD2 LEU 63 2HD2 LEU 63 5.065 -2.582 1.233 488 3HD2 LEU 63 3HD2 LEU 63 3.985 -1.759 0.108 489 H LYS 64 H LYS 64 2.259 -2.796 5.470 490 HA LYS 64 HA LYS 64 4.776 -1.733 6.556 491 1HB LYS 64 2HB LYS 64 2.896 -1.794 8.134 492 2HB LYS 64 1HB LYS 64 2.713 -3.520 7.860 493 1HG LYS 64 2HG LYS 64 4.570 -4.056 9.084 494 2HG LYS 64 1HG LYS 64 5.347 -2.499 8.791 495 1HD LYS 64 2HD LYS 64 4.178 -1.447 10.468 496 2HD LYS 64 1HD LYS 64 2.822 -2.574 10.375 497 1HE LYS 64 2HE LYS 64 3.735 -3.364 12.287 498 2HE LYS 64 1HE LYS 64 4.746 -4.264 11.158 499 1HZ LYS 64 1HZ LYS 64 5.515 -1.614 12.236 500 2HZ LYS 64 2HZ LYS 64 6.494 -2.728 11.423 501 3HZ LYS 64 3HZ LYS 64 5.947 -3.069 12.986 502 H ILE 65 H ILE 65 6.476 -2.765 5.740 503 HA ILE 65 HA ILE 65 6.306 -5.570 4.987 504 HB ILE 65 HB ILE 65 8.830 -3.957 4.889 505 1HG1 ILE 65 2HG1 ILE 65 6.462 -3.752 3.015 506 2HG1 ILE 65 1HG1 ILE 65 7.261 -2.453 3.890 507 1HG2 ILE 65 1HG2 ILE 65 7.843 -6.474 3.822 508 2HG2 ILE 65 2HG2 ILE 65 9.497 -5.901 4.026 509 3HG2 ILE 65 3HG2 ILE 65 8.581 -5.454 2.589 510 1HD1 ILE 65 1HD1 ILE 65 9.207 -3.698 2.258 511 2HD1 ILE 65 2HD1 ILE 65 8.539 -2.070 2.135 512 3HD1 ILE 65 3HD1 ILE 65 7.775 -3.405 1.272 513 H LYS 66 H LYS 66 7.222 -7.247 6.088 514 HA LYS 66 HA LYS 66 8.090 -6.736 8.788 515 1HB LYS 66 2HB LYS 66 6.581 -8.599 8.328 516 2HB LYS 66 1HB LYS 66 7.790 -9.332 7.281 517 1HG LYS 66 2HG LYS 66 9.297 -9.368 9.341 518 2HG LYS 66 1HG LYS 66 7.830 -9.034 10.263 519 1HD LYS 66 2HD LYS 66 7.654 -11.279 10.324 520 2HD LYS 66 1HD LYS 66 6.989 -11.079 8.703 521 1HE LYS 66 2HE LYS 66 8.643 -12.785 8.584 522 2HE LYS 66 1HE LYS 66 9.313 -11.348 7.812 523 1HZ LYS 66 1HZ LYS 66 10.168 -10.997 10.296 524 2HZ LYS 66 2HZ LYS 66 11.055 -11.841 9.129 525 3HZ LYS 66 3HZ LYS 66 10.125 -12.688 10.261 526 H ASN 67 H ASN 67 9.508 -8.164 5.909 527 HA ASN 67 HA ASN 67 12.161 -7.458 6.869 528 1HB ASN 67 2HB ASN 67 11.144 -10.152 6.876 529 2HB ASN 67 1HB ASN 67 12.468 -10.024 5.722 530 1HD2 ASN 67 1HD2 ASN 67 14.102 -10.973 6.749 531 2HD2 ASN 67 2HD2 ASN 67 14.704 -10.514 8.302 532 H LEU 68 H LEU 68 12.910 -6.229 5.283 533 HA LEU 68 HA LEU 68 11.946 -6.089 2.706 534 1HB LEU 68 2HB LEU 68 14.563 -5.303 3.931 535 2HB LEU 68 1HB LEU 68 14.255 -5.050 2.221 536 HG LEU 68 HG LEU 68 12.216 -4.060 4.126 537 1HD1 LEU 68 1HD1 LEU 68 14.121 -3.275 5.285 538 2HD1 LEU 68 2HD1 LEU 68 13.534 -1.918 4.327 539 3HD1 LEU 68 3HD1 LEU 68 14.939 -2.833 3.788 540 1HD2 LEU 68 1HD2 LEU 68 13.173 -3.516 1.401 541 2HD2 LEU 68 2HD2 LEU 68 12.640 -2.112 2.328 542 3HD2 LEU 68 3HD2 LEU 68 11.541 -3.466 2.068 543 H THR 69 H THR 69 12.731 -6.728 0.709 544 HA THR 69 HA THR 69 14.770 -8.772 0.522 545 HB THR 69 HB THR 69 13.090 -10.278 -0.741 546 HG1 THR 69 1HG THR 69 11.073 -9.757 -0.617 547 1HG2 THR 69 1HG2 THR 69 12.387 -11.434 1.267 548 2HG2 THR 69 2HG2 THR 69 12.834 -10.036 2.244 549 3HG2 THR 69 3HG2 THR 69 14.076 -10.943 1.381 550 H ARG 70 H ARG 70 15.175 -9.414 -1.743 551 HA ARG 70 HA ARG 70 15.544 -7.246 -3.425 552 1HB ARG 70 2HB ARG 70 15.083 -9.971 -4.599 553 2HB ARG 70 1HB ARG 70 16.252 -8.747 -5.069 554 1HG ARG 70 2HG ARG 70 17.751 -9.981 -3.984 555 2HG ARG 70 1HG ARG 70 17.020 -9.367 -2.500 556 1HD ARG 70 2HD ARG 70 15.803 -11.297 -2.145 557 2HD ARG 70 1HD ARG 70 15.841 -11.757 -3.846 558 HE ARG 70 HE ARG 70 18.454 -11.795 -2.783 559 1HH1 ARG 70 1HH1 ARG 70 15.451 -13.571 -2.667 560 2HH1 ARG 70 2HH1 ARG 70 16.214 -15.082 -2.307 561 1HH2 ARG 70 1HH2 ARG 70 19.459 -13.784 -2.311 562 2HH2 ARG 70 2HH2 ARG 70 18.490 -15.204 -2.105 563 H ASP 71 H ASP 71 13.018 -9.742 -3.779 564 HA ASP 71 HA ASP 71 11.666 -8.567 -5.908 565 1HB ASP 71 2HB ASP 71 11.263 -10.872 -5.143 566 2HB ASP 71 1HB ASP 71 10.504 -10.252 -3.679 567 H ASP 72 H ASP 72 11.775 -7.621 -2.596 568 HA ASP 72 HA ASP 72 9.312 -6.095 -2.738 569 1HB ASP 72 2HB ASP 72 10.829 -7.203 -0.658 570 2HB ASP 72 1HB ASP 72 10.965 -5.458 -0.454 571 H SER 73 H SER 73 12.582 -5.613 -3.535 572 HA SER 73 HA SER 73 12.477 -2.728 -3.148 573 1HB SER 73 2HB SER 73 14.555 -4.200 -2.738 574 2HB SER 73 1HB SER 73 14.712 -4.235 -4.495 575 HG SER 73 HG SER 73 15.916 -2.526 -3.696 576 H GLY 74 H GLY 74 11.983 -1.300 -4.716 577 1HA GLY 74 2HA GLY 74 12.565 -1.202 -7.320 578 2HA GLY 74 1HA GLY 74 11.249 -2.363 -7.316 579 H THR 75 H THR 75 9.448 -1.292 -8.108 580 HA THR 75 HA THR 75 8.861 1.366 -6.931 581 HB THR 75 HB THR 75 8.703 0.373 -9.758 582 HG1 THR 75 1HG THR 75 10.426 1.734 -8.907 583 1HG2 THR 75 1HG2 THR 75 7.073 2.661 -8.687 584 2HG2 THR 75 2HG2 THR 75 6.448 1.152 -9.352 585 3HG2 THR 75 3HG2 THR 75 7.324 2.277 -10.390 586 H TYR 76 H TYR 76 6.967 1.541 -5.926 587 HA TYR 76 HA TYR 76 4.991 -0.615 -6.281 588 1HB TYR 76 2HB TYR 76 5.603 1.166 -3.920 589 2HB TYR 76 1HB TYR 76 4.132 0.204 -4.021 590 HD1 TYR 76 1HD TYR 76 4.152 -1.879 -3.018 591 HD2 TYR 76 2HD TYR 76 7.825 -0.232 -4.393 592 HE1 TYR 76 1HE TYR 76 5.359 -3.819 -2.099 593 HE2 TYR 76 2HE TYR 76 9.040 -2.161 -3.479 594 HH TYR 76 HH TYR 76 8.789 -3.904 -1.863 595 H ASN 77 H ASN 77 2.778 -0.073 -6.466 596 HA ASN 77 HA ASN 77 2.222 2.763 -7.012 597 1HB ASN 77 2HB ASN 77 1.886 0.419 -8.793 598 2HB ASN 77 1HB ASN 77 0.571 1.589 -8.786 599 1HD2 ASN 77 1HD2 ASN 77 3.084 0.757 -10.511 600 2HD2 ASN 77 2HD2 ASN 77 3.643 2.291 -11.076 601 H VAL 78 H VAL 78 0.530 3.526 -5.934 602 HA VAL 78 HA VAL 78 -1.402 1.596 -4.833 603 HB VAL 78 HB VAL 78 -1.457 4.330 -3.732 604 1HG1 VAL 78 1HG1 VAL 78 -1.168 2.141 -1.870 605 2HG1 VAL 78 2HG1 VAL 78 -2.420 1.816 -3.068 606 3HG1 VAL 78 3HG1 VAL 78 -2.502 3.275 -2.084 607 1HG2 VAL 78 1HG2 VAL 78 1.012 2.679 -3.590 608 2HG2 VAL 78 2HG2 VAL 78 0.477 3.494 -2.118 609 3HG2 VAL 78 3HG2 VAL 78 0.814 4.432 -3.573 610 H THR 79 H THR 79 -3.485 1.730 -5.386 611 HA THR 79 HA THR 79 -4.379 4.109 -6.876 612 HB THR 79 HB THR 79 -5.920 1.690 -7.420 613 HG1 THR 79 1HG THR 79 -3.831 0.749 -7.175 614 1HG2 THR 79 1HG2 THR 79 -5.463 4.035 -8.712 615 2HG2 THR 79 2HG2 THR 79 -6.158 2.587 -9.441 616 3HG2 THR 79 3HG2 THR 79 -4.434 2.917 -9.607 617 H VAL 80 H VAL 80 -5.343 5.173 -5.230 618 HA VAL 80 HA VAL 80 -7.115 3.804 -3.390 619 HB VAL 80 HB VAL 80 -6.344 6.718 -3.638 620 1HG1 VAL 80 1HG1 VAL 80 -7.910 5.411 -1.420 621 2HG1 VAL 80 2HG1 VAL 80 -8.604 6.435 -2.675 622 3HG1 VAL 80 3HG1 VAL 80 -7.441 7.109 -1.533 623 1HG2 VAL 80 1HG2 VAL 80 -4.610 6.294 -2.302 624 2HG2 VAL 80 2HG2 VAL 80 -4.893 4.584 -2.621 625 3HG2 VAL 80 3HG2 VAL 80 -5.598 5.342 -1.195 626 H TYR 81 H TYR 81 -9.246 3.639 -3.562 627 HA TYR 81 HA TYR 81 -10.616 5.322 -5.550 628 1HB TYR 81 2HB TYR 81 -11.331 2.535 -4.683 629 2HB TYR 81 1HB TYR 81 -12.205 3.492 -5.849 630 HD1 TYR 81 1HD TYR 81 -9.187 1.505 -5.260 631 HD2 TYR 81 2HD TYR 81 -11.335 3.837 -8.095 632 HE1 TYR 81 1HE TYR 81 -7.782 0.599 -7.060 633 HE2 TYR 81 2HE TYR 81 -9.933 2.941 -9.903 634 HH TYR 81 HH TYR 81 -8.538 0.970 -10.347 635 H SER 82 H SER 82 -12.705 5.982 -5.100 636 HA SER 82 HA SER 82 -13.222 6.456 -2.284 637 1HB SER 82 2HB SER 82 -15.256 7.628 -3.858 638 2HB SER 82 1HB SER 82 -13.905 8.428 -3.055 639 HG SER 82 HG SER 82 -14.038 8.762 -5.373 640 H THR 83 H THR 83 -15.659 6.518 -1.709 641 HA THR 83 HA THR 83 -16.611 3.877 -1.677 642 HB THR 83 HB THR 83 -18.816 5.172 -0.970 643 HG1 THR 83 1HG THR 83 -18.284 7.222 -0.157 644 1HG2 THR 83 1HG2 THR 83 -16.385 5.381 0.780 645 2HG2 THR 83 2HG2 THR 83 -17.297 3.891 0.540 646 3HG2 THR 83 3HG2 THR 83 -18.074 5.292 1.277 647 H ASN 84 H ASN 84 -16.933 6.335 -4.042 648 HA ASN 84 HA ASN 84 -19.304 5.115 -5.227 649 1HB ASN 84 2HB ASN 84 -18.596 7.711 -5.044 650 2HB ASN 84 1HB ASN 84 -17.919 7.330 -6.624 651 1HD2 ASN 84 1HD2 ASN 84 -20.708 8.086 -4.875 652 2HD2 ASN 84 2HD2 ASN 84 -21.859 7.876 -6.147 653 H GLY 85 H GLY 85 -16.576 3.825 -5.146 654 1HA GLY 85 2HA GLY 85 -15.288 2.529 -6.531 655 2HA GLY 85 1HA GLY 85 -16.646 2.577 -7.645 656 H THR 86 H THR 86 -15.203 5.575 -6.720 657 HA THR 86 HA THR 86 -14.174 5.877 -9.443 658 HB THR 86 HB THR 86 -13.997 8.251 -7.777 659 HG1 THR 86 1HG THR 86 -15.819 8.088 -6.782 660 1HG2 THR 86 1HG2 THR 86 -14.717 7.556 -10.447 661 2HG2 THR 86 2HG2 THR 86 -14.314 9.134 -9.772 662 3HG2 THR 86 3HG2 THR 86 -15.981 8.559 -9.734 663 H ARG 87 H ARG 87 -12.185 7.480 -9.470 664 HA ARG 87 HA ARG 87 -10.139 6.192 -7.815 665 1HB ARG 87 2HB ARG 87 -10.081 6.475 -10.440 666 2HB ARG 87 1HB ARG 87 -9.462 8.073 -10.040 667 1HG ARG 87 2HG ARG 87 -7.565 7.180 -8.967 668 2HG ARG 87 1HG ARG 87 -8.254 5.556 -8.937 669 1HD ARG 87 2HD ARG 87 -7.340 5.104 -10.908 670 2HD ARG 87 1HD ARG 87 -8.181 6.471 -11.637 671 HE ARG 87 HE ARG 87 -5.422 6.355 -10.835 672 1HH1 ARG 87 1HH1 ARG 87 -8.131 8.459 -11.477 673 2HH1 ARG 87 2HH1 ARG 87 -7.141 9.837 -11.820 674 1HH2 ARG 87 1HH2 ARG 87 -4.117 8.167 -11.287 675 2HH2 ARG 87 2HH2 ARG 87 -4.862 9.670 -11.714 676 H ILE 88 H ILE 88 -9.507 7.197 -6.042 677 HA ILE 88 HA ILE 88 -9.961 10.054 -5.738 678 HB ILE 88 HB ILE 88 -9.060 7.943 -3.781 679 1HG1 ILE 88 2HG1 ILE 88 -11.441 7.902 -4.484 680 2HG1 ILE 88 1HG1 ILE 88 -11.241 8.265 -2.773 681 1HG2 ILE 88 1HG2 ILE 88 -8.813 10.822 -3.631 682 2HG2 ILE 88 2HG2 ILE 88 -8.179 9.578 -2.552 683 3HG2 ILE 88 3HG2 ILE 88 -9.821 10.184 -2.331 684 1HD1 ILE 88 1HD1 ILE 88 -12.425 9.855 -4.898 685 2HD1 ILE 88 2HD1 ILE 88 -11.268 10.753 -3.916 686 3HD1 ILE 88 3HD1 ILE 88 -12.640 9.951 -3.150 687 H LEU 89 H LEU 89 -7.231 7.767 -5.541 688 HA LEU 89 HA LEU 89 -5.440 9.868 -6.413 689 1HB LEU 89 2HB LEU 89 -5.290 10.359 -4.129 690 2HB LEU 89 1HB LEU 89 -5.337 8.669 -3.667 691 HG LEU 89 HG LEU 89 -3.003 9.490 -5.287 692 1HD1 LEU 89 1HD1 LEU 89 -1.971 10.211 -2.981 693 2HD1 LEU 89 2HD1 LEU 89 -3.637 10.669 -2.632 694 3HD1 LEU 89 3HD1 LEU 89 -2.799 11.377 -4.013 695 1HD2 LEU 89 1HD2 LEU 89 -2.059 7.694 -4.323 696 2HD2 LEU 89 2HD2 LEU 89 -3.714 7.270 -3.884 697 3HD2 LEU 89 3HD2 LEU 89 -2.680 8.103 -2.724 698 H ASN 90 H ASN 90 -3.492 9.149 -7.220 699 HA ASN 90 HA ASN 90 -2.991 6.262 -7.271 700 1HB ASN 90 2HB ASN 90 -4.230 6.990 -9.361 701 2HB ASN 90 1HB ASN 90 -2.833 7.987 -9.752 702 1HD2 ASN 90 1HD2 ASN 90 -3.233 4.695 -8.487 703 2HD2 ASN 90 2HD2 ASN 90 -2.257 3.932 -9.691 704 H LYS 91 H LYS 91 -1.069 6.144 -6.264 705 HA LYS 91 HA LYS 91 0.991 8.107 -7.050 706 1HB LYS 91 2HB LYS 91 0.564 6.802 -4.364 707 2HB LYS 91 1HB LYS 91 1.950 7.800 -4.774 708 1HG LYS 91 2HG LYS 91 -0.761 8.934 -5.179 709 2HG LYS 91 1HG LYS 91 -0.153 8.776 -3.530 710 1HD LYS 91 2HD LYS 91 1.719 10.159 -3.997 711 2HD LYS 91 1HD LYS 91 1.414 10.102 -5.734 712 1HE LYS 91 2HE LYS 91 -0.624 11.375 -5.452 713 2HE LYS 91 1HE LYS 91 -0.425 11.357 -3.700 714 1HZ LYS 91 1HZ LYS 91 1.895 12.420 -4.456 715 2HZ LYS 91 2HZ LYS 91 0.525 13.342 -4.086 716 3HZ LYS 91 3HZ LYS 91 0.898 12.992 -5.699 717 H ALA 92 H ALA 92 3.177 7.448 -6.976 718 HA ALA 92 HA ALA 92 3.696 4.567 -7.042 719 1HB ALA 92 1HB ALA 92 3.302 5.610 -9.371 720 2HB ALA 92 2HB ALA 92 4.726 4.596 -9.131 721 3HB ALA 92 3HB ALA 92 4.883 6.353 -9.133 722 H LEU 93 H LEU 93 5.369 4.140 -5.735 723 HA LEU 93 HA LEU 93 7.339 6.283 -5.263 724 1HB LEU 93 2HB LEU 93 6.845 4.099 -3.283 725 2HB LEU 93 1HB LEU 93 7.495 5.706 -3.021 726 HG LEU 93 HG LEU 93 5.135 6.551 -3.618 727 1HD1 LEU 93 1HD1 LEU 93 4.731 3.619 -3.474 728 2HD1 LEU 93 2HD1 LEU 93 3.898 4.835 -4.442 729 3HD1 LEU 93 3HD1 LEU 93 3.505 4.646 -2.733 730 1HD2 LEU 93 1HD2 LEU 93 4.354 5.835 -1.235 731 2HD2 LEU 93 2HD2 LEU 93 5.753 6.892 -1.425 732 3HD2 LEU 93 3HD2 LEU 93 5.984 5.172 -1.109 733 H ASP 94 H ASP 94 9.507 5.601 -4.706 734 HA ASP 94 HA ASP 94 10.243 3.081 -6.039 735 1HB ASP 94 2HB ASP 94 12.039 5.473 -5.615 736 2HB ASP 94 1HB ASP 94 12.333 4.077 -6.648 737 H LEU 95 H LEU 95 10.579 1.572 -4.518 738 HA LEU 95 HA LEU 95 11.713 2.322 -1.946 739 1HB LEU 95 2HB LEU 95 9.752 0.534 -2.691 740 2HB LEU 95 1HB LEU 95 11.129 -0.510 -2.397 741 HG LEU 95 HG LEU 95 9.934 1.438 -0.430 742 1HD1 LEU 95 1HD1 LEU 95 8.787 -0.257 0.494 743 2HD1 LEU 95 2HD1 LEU 95 10.039 -1.445 0.132 744 3HD1 LEU 95 3HD1 LEU 95 8.908 -0.945 -1.125 745 1HD2 LEU 95 1HD2 LEU 95 12.493 0.922 -0.423 746 2HD2 LEU 95 2HD2 LEU 95 11.977 -0.615 0.273 747 3HD2 LEU 95 3HD2 LEU 95 11.574 0.901 1.081 748 H ARG 96 H ARG 96 13.909 2.582 -2.217 749 HA ARG 96 HA ARG 96 15.401 0.454 -3.560 750 1HB ARG 96 2HB ARG 96 17.019 2.661 -2.544 751 2HB ARG 96 1HB ARG 96 16.892 1.998 -4.161 752 1HG ARG 96 2HG ARG 96 14.966 3.976 -2.978 753 2HG ARG 96 1HG ARG 96 16.292 4.369 -4.071 754 1HD ARG 96 2HD ARG 96 13.773 2.845 -4.627 755 2HD ARG 96 1HD ARG 96 14.440 4.237 -5.479 756 HE ARG 96 HE ARG 96 14.988 1.496 -6.002 757 1HH1 ARG 96 1HH1 ARG 96 16.428 4.674 -6.041 758 2HH1 ARG 96 2HH1 ARG 96 17.581 4.273 -7.269 759 1HH2 ARG 96 1HH2 ARG 96 16.505 0.965 -7.616 760 2HH2 ARG 96 2HH2 ARG 96 17.625 2.168 -8.164 761 H ILE 97 H ILE 97 16.464 -1.047 -2.460 762 HA ILE 97 HA ILE 97 17.192 -0.504 0.335 763 HB ILE 97 HB ILE 97 15.990 -3.103 -0.605 764 1HG1 ILE 97 2HG1 ILE 97 14.320 -1.879 1.296 765 2HG1 ILE 97 1HG1 ILE 97 14.727 -0.616 0.144 766 1HG2 ILE 97 1HG2 ILE 97 15.995 -2.468 2.243 767 2HG2 ILE 97 2HG2 ILE 97 17.607 -2.628 1.548 768 3HG2 ILE 97 3HG2 ILE 97 16.451 -3.953 1.411 769 1HD1 ILE 97 1HD1 ILE 97 13.472 -1.515 -1.466 770 2HD1 ILE 97 2HD1 ILE 97 12.704 -2.399 -0.147 771 3HD1 ILE 97 3HD1 ILE 97 13.987 -3.159 -1.088 772 H LEU 98 H LEU 98 19.179 -1.164 0.917 773 HA LEU 98 HA LEU 98 20.892 -2.327 -1.060 774 1HB LEU 98 2HB LEU 98 21.149 -0.985 1.575 775 2HB LEU 98 1HB LEU 98 22.439 -2.045 1.078 776 HG LEU 98 HG LEU 98 21.446 0.341 -0.461 777 1HD1 LEU 98 1HD1 LEU 98 23.093 1.589 0.443 778 2HD1 LEU 98 2HD1 LEU 98 24.206 0.226 0.569 779 3HD1 LEU 98 3HD1 LEU 98 22.936 0.441 1.773 780 1HD2 LEU 98 1HD2 LEU 98 23.530 -1.733 -1.041 781 2HD2 LEU 98 2HD2 LEU 98 23.644 -0.110 -1.721 782 3HD2 LEU 98 3HD2 LEU 98 22.248 -1.123 -2.086 783 H GLU 99 H GLU 99 22.454 -4.002 -0.279 784 HA GLU 99 HA GLU 99 20.949 -6.217 0.875 785 1HB GLU 99 2HB GLU 99 23.587 -6.095 -0.588 786 2HB GLU 99 1HB GLU 99 22.939 -7.571 0.112 787 1HG GLU 99 2HG GLU 99 20.827 -6.811 -1.347 788 2HG GLU 99 1HG GLU 99 22.124 -6.100 -2.307 Start of MODEL 11 1 1H ARG 1 1H ARG 1 7.579 17.847 -7.920 2 2H ARG 1 2H ARG 1 6.677 17.336 -6.552 3 3H ARG 1 3H ARG 1 5.877 17.676 -8.031 4 HA ARG 1 HA ARG 1 6.825 15.845 -9.080 5 1HB ARG 1 2HB ARG 1 9.029 16.204 -7.860 6 2HB ARG 1 1HB ARG 1 8.335 15.294 -6.526 7 1HG ARG 1 2HG ARG 1 8.472 13.312 -7.621 8 2HG ARG 1 1HG ARG 1 8.237 14.046 -9.208 9 1HD ARG 1 2HD ARG 1 10.729 14.716 -7.749 10 2HD ARG 1 1HD ARG 1 10.589 13.084 -8.401 11 HE ARG 1 HE ARG 1 11.040 15.480 -9.872 12 1HH1 ARG 1 1HH1 ARG 1 9.511 12.348 -10.049 13 2HH1 ARG 1 2HH1 ARG 1 9.611 12.257 -11.774 14 1HH2 ARG 1 1HH2 ARG 1 11.171 15.363 -12.143 15 2HH2 ARG 1 2HH2 ARG 1 10.555 13.969 -12.964 16 H ASP 2 H ASP 2 5.930 13.758 -8.927 17 HA ASP 2 HA ASP 2 4.005 13.460 -6.725 18 1HB ASP 2 2HB ASP 2 3.980 12.587 -9.598 19 2HB ASP 2 1HB ASP 2 2.972 11.763 -8.413 20 H SER 3 H SER 3 6.421 11.733 -8.634 21 HA SER 3 HA SER 3 6.139 9.208 -7.458 22 1HB SER 3 2HB SER 3 8.723 9.132 -8.090 23 2HB SER 3 1HB SER 3 7.470 9.100 -9.331 24 HG SER 3 HG SER 3 7.934 11.121 -9.882 25 H GLY 4 H GLY 4 8.119 8.221 -6.202 26 1HA GLY 4 2HA GLY 4 9.188 10.020 -4.182 27 2HA GLY 4 1HA GLY 4 8.044 8.819 -3.599 28 H THR 5 H THR 5 10.569 8.844 -2.587 29 HA THR 5 HA THR 5 11.599 6.281 -3.553 30 HB THR 5 HB THR 5 13.457 8.586 -2.971 31 HG1 THR 5 1HG THR 5 13.111 9.284 -4.901 32 1HG2 THR 5 1HG2 THR 5 14.640 6.845 -4.759 33 2HG2 THR 5 2HG2 THR 5 13.832 5.796 -3.594 34 3HG2 THR 5 3HG2 THR 5 14.995 6.998 -3.038 35 H VAL 6 H VAL 6 12.649 5.063 -2.038 36 HA VAL 6 HA VAL 6 12.779 6.105 0.693 37 HB VAL 6 HB VAL 6 10.628 4.701 0.045 38 1HG1 VAL 6 1HG1 VAL 6 12.342 2.470 0.949 39 2HG1 VAL 6 2HG1 VAL 6 12.265 2.912 -0.757 40 3HG1 VAL 6 3HG1 VAL 6 10.796 2.446 0.101 41 1HG2 VAL 6 1HG2 VAL 6 12.250 4.461 2.569 42 2HG2 VAL 6 2HG2 VAL 6 10.640 3.759 2.406 43 3HG2 VAL 6 3HG2 VAL 6 10.859 5.503 2.260 44 H TRP 7 H TRP 7 14.254 5.012 2.055 45 HA TRP 7 HA TRP 7 16.067 3.167 0.646 46 1HB TRP 7 2HB TRP 7 16.778 5.301 2.671 47 2HB TRP 7 1HB TRP 7 17.909 4.122 2.012 48 HD1 TRP 7 HD TRP 7 15.887 7.220 0.983 49 HE1 TRP 7 1HE TRP 7 16.912 8.184 -1.173 50 HE3 TRP 7 3HE TRP 7 19.283 3.533 -0.015 51 HZ2 TRP 7 2HZ TRP 7 18.905 7.474 -3.046 52 HZ3 TRP 7 3HZ TRP 7 20.711 3.751 -2.008 53 HH2 TRP 7 HH TRP 7 20.523 5.681 -3.491 54 H GLY 8 H GLY 8 16.398 1.253 1.573 55 1HA GLY 8 2HA GLY 8 16.006 0.977 4.470 56 2HA GLY 8 1HA GLY 8 14.957 0.014 3.444 57 H ALA 9 H ALA 9 16.240 -1.549 5.010 58 HA ALA 9 HA ALA 9 18.516 -2.560 3.437 59 1HB ALA 9 1HB ALA 9 19.408 -1.506 5.429 60 2HB ALA 9 2HB ALA 9 19.626 -3.256 5.500 61 3HB ALA 9 3HB ALA 9 18.348 -2.488 6.442 62 H LEU 10 H LEU 10 18.488 -4.651 2.963 63 HA LEU 10 HA LEU 10 16.210 -6.216 3.139 64 1HB LEU 10 2HB LEU 10 18.276 -6.516 1.674 65 2HB LEU 10 1HB LEU 10 19.012 -7.319 3.044 66 HG LEU 10 HG LEU 10 16.545 -8.611 2.662 67 1HD1 LEU 10 1HD1 LEU 10 16.892 -9.392 0.287 68 2HD1 LEU 10 2HD1 LEU 10 17.942 -7.990 0.080 69 3HD1 LEU 10 3HD1 LEU 10 16.241 -7.765 0.488 70 1HD2 LEU 10 1HD2 LEU 10 18.711 -9.548 3.436 71 2HD2 LEU 10 2HD2 LEU 10 19.276 -9.505 1.766 72 3HD2 LEU 10 3HD2 LEU 10 17.907 -10.525 2.208 73 H GLY 11 H GLY 11 15.321 -7.501 4.625 74 1HA GLY 11 2HA GLY 11 15.269 -8.973 6.448 75 2HA GLY 11 1HA GLY 11 16.924 -8.526 6.829 76 H HIS 12 H HIS 12 15.600 -5.616 6.395 77 HA HIS 12 HA HIS 12 14.837 -5.414 9.222 78 1HB HIS 12 2HB HIS 12 16.563 -3.939 9.139 79 2HB HIS 12 1HB HIS 12 16.452 -3.756 7.395 80 HD1 HIS 12 1HD HIS 12 15.038 -1.867 6.489 81 HD2 HIS 12 2HD HIS 12 15.112 -2.045 10.633 82 HE1 HIS 12 1HE HIS 12 14.129 0.352 7.272 83 HE2 HIS 12 2HE HIS 12 14.083 0.174 9.787 84 H GLY 13 H GLY 13 13.255 -3.556 9.639 85 1HA GLY 13 2HA GLY 13 10.871 -4.100 8.159 86 2HA GLY 13 1HA GLY 13 11.051 -2.901 9.434 87 H ILE 14 H ILE 14 9.490 -1.902 7.772 88 HA ILE 14 HA ILE 14 10.452 0.402 6.745 89 HB ILE 14 HB ILE 14 11.915 -0.902 5.251 90 1HG1 ILE 14 2HG1 ILE 14 10.649 0.097 3.039 91 2HG1 ILE 14 1HG1 ILE 14 9.928 1.046 4.335 92 1HG2 ILE 14 1HG2 ILE 14 9.320 -2.030 4.284 93 2HG2 ILE 14 2HG2 ILE 14 10.762 -2.885 4.829 94 3HG2 ILE 14 3HG2 ILE 14 10.769 -2.039 3.282 95 1HD1 ILE 14 1HD1 ILE 14 11.888 2.081 4.854 96 2HD1 ILE 14 2HD1 ILE 14 12.127 1.815 3.127 97 3HD1 ILE 14 3HD1 ILE 14 12.880 0.730 4.300 98 H ASP 15 H ASP 15 8.772 1.656 6.086 99 HA ASP 15 HA ASP 15 6.281 0.271 5.340 100 1HB ASP 15 2HB ASP 15 6.185 1.083 7.672 101 2HB ASP 15 1HB ASP 15 6.511 2.718 7.104 102 H LEU 16 H LEU 16 5.440 0.892 3.476 103 HA LEU 16 HA LEU 16 6.571 3.090 2.004 104 1HB LEU 16 2HB LEU 16 4.856 0.799 1.469 105 2HB LEU 16 1HB LEU 16 4.255 2.236 0.680 106 HG LEU 16 HG LEU 16 5.695 1.966 -0.990 107 1HD1 LEU 16 1HD1 LEU 16 7.375 3.242 0.166 108 2HD1 LEU 16 2HD1 LEU 16 8.135 1.907 -0.695 109 3HD1 LEU 16 3HD1 LEU 16 7.905 1.808 1.049 110 1HD2 LEU 16 1HD2 LEU 16 7.125 -0.336 0.203 111 2HD2 LEU 16 2HD2 LEU 16 6.446 -0.130 -1.411 112 3HD2 LEU 16 3HD2 LEU 16 5.385 -0.484 -0.047 113 H ASP 17 H ASP 17 5.904 5.145 2.102 114 HA ASP 17 HA ASP 17 3.289 5.678 3.323 115 1HB ASP 17 2HB ASP 17 5.687 7.482 2.980 116 2HB ASP 17 1HB ASP 17 4.157 7.965 3.709 117 H ILE 18 H ILE 18 1.677 6.340 2.140 118 HA ILE 18 HA ILE 18 2.010 7.025 -0.638 119 HB ILE 18 HB ILE 18 -0.476 6.984 1.066 120 1HG1 ILE 18 2HG1 ILE 18 0.994 4.891 -0.472 121 2HG1 ILE 18 1HG1 ILE 18 0.221 4.771 1.094 122 1HG2 ILE 18 1HG2 ILE 18 -0.530 8.329 -1.086 123 2HG2 ILE 18 2HG2 ILE 18 -1.747 7.066 -0.913 124 3HG2 ILE 18 3HG2 ILE 18 -0.332 6.792 -1.928 125 1HD1 ILE 18 1HD1 ILE 18 -1.981 4.994 -0.109 126 2HD1 ILE 18 2HD1 ILE 18 -1.092 3.488 -0.337 127 3HD1 ILE 18 3HD1 ILE 18 -1.070 4.725 -1.595 128 HA PRO 19 HA PRO 19 2.436 11.412 0.275 129 1HB PRO 19 2HB PRO 19 1.902 11.644 -2.634 130 2HB PRO 19 1HB PRO 19 3.249 12.277 -1.682 131 1HG PRO 19 2HG PRO 19 3.590 10.188 -3.300 132 2HG PRO 19 1HG PRO 19 4.394 10.258 -1.719 133 1HD PRO 19 2HD PRO 19 1.964 8.720 -2.544 134 2HD PRO 19 1HD PRO 19 3.309 8.221 -1.499 135 H ASN 20 H ASN 20 0.956 12.783 0.947 136 HA ASN 20 HA ASN 20 -1.109 13.628 1.449 137 1HB ASN 20 2HB ASN 20 -0.305 14.873 -0.580 138 2HB ASN 20 1HB ASN 20 -1.329 13.823 -1.554 139 1HD2 ASN 20 1HD2 ASN 20 -1.570 15.796 1.388 140 2HD2 ASN 20 2HD2 ASN 20 -3.099 16.496 0.997 141 H PHE 21 H PHE 21 -1.719 11.243 2.022 142 HA PHE 21 HA PHE 21 -4.265 10.722 0.711 143 1HB PHE 21 2HB PHE 21 -3.060 9.112 -0.412 144 2HB PHE 21 1HB PHE 21 -1.953 8.844 0.925 145 HD1 PHE 21 1HD PHE 21 -2.151 6.909 2.103 146 HD2 PHE 21 2HD PHE 21 -5.553 8.435 0.080 147 HE1 PHE 21 1HE PHE 21 -3.430 4.918 2.783 148 HE2 PHE 21 2HE PHE 21 -6.853 6.451 0.758 149 HZ PHE 21 HZ PHE 21 -5.789 4.688 2.107 150 H GLN 22 H GLN 22 -5.802 9.702 2.042 151 HA GLN 22 HA GLN 22 -5.062 9.139 4.807 152 1HB GLN 22 2HB GLN 22 -6.808 11.382 3.913 153 2HB GLN 22 1HB GLN 22 -7.269 10.511 5.369 154 1HG GLN 22 2HG GLN 22 -5.177 11.043 6.416 155 2HG GLN 22 1HG GLN 22 -4.573 11.773 4.928 156 1HE2 GLN 22 1HE2 GLN 22 -6.659 12.149 7.668 157 2HE2 GLN 22 2HE2 GLN 22 -6.996 13.829 7.444 158 H MET 23 H MET 23 -5.841 7.182 5.195 159 HA MET 23 HA MET 23 -8.017 6.087 3.668 160 1HB MET 23 2HB MET 23 -5.973 4.819 4.529 161 2HB MET 23 1HB MET 23 -6.748 4.850 6.107 162 1HG MET 23 2HG MET 23 -8.767 3.880 4.633 163 2HG MET 23 1HG MET 23 -7.396 3.276 3.704 164 1HE MET 23 1HE MET 23 -7.481 -0.044 5.367 165 2HE MET 23 2HE MET 23 -7.002 0.927 3.976 166 3HE MET 23 3HE MET 23 -8.703 0.813 4.428 167 H THR 24 H THR 24 -9.602 7.717 4.339 168 HA THR 24 HA THR 24 -10.675 7.267 7.037 169 HB THR 24 HB THR 24 -12.111 9.368 6.042 170 HG1 THR 24 1HG THR 24 -10.787 10.648 4.859 171 1HG2 THR 24 1HG2 THR 24 -10.503 9.050 8.144 172 2HG2 THR 24 2HG2 THR 24 -11.122 10.619 7.628 173 3HG2 THR 24 3HG2 THR 24 -9.495 10.119 7.168 174 H ASP 25 H ASP 25 -13.250 7.942 6.824 175 HA ASP 25 HA ASP 25 -14.495 5.659 5.829 176 1HB ASP 25 2HB ASP 25 -15.556 8.378 6.575 177 2HB ASP 25 1HB ASP 25 -16.622 7.095 6.011 178 H ASP 26 H ASP 26 -13.766 8.701 4.280 179 HA ASP 26 HA ASP 26 -15.498 8.450 2.065 180 1HB ASP 26 2HB ASP 26 -13.862 10.060 0.974 181 2HB ASP 26 1HB ASP 26 -14.580 10.599 2.490 182 H ILE 27 H ILE 27 -12.421 7.026 2.821 183 HA ILE 27 HA ILE 27 -11.899 6.201 0.108 184 HB ILE 27 HB ILE 27 -10.504 5.553 2.706 185 1HG1 ILE 27 2HG1 ILE 27 -10.285 7.894 2.092 186 2HG1 ILE 27 1HG1 ILE 27 -8.765 7.073 1.805 187 1HG2 ILE 27 1HG2 ILE 27 -9.640 4.935 -0.114 188 2HG2 ILE 27 2HG2 ILE 27 -10.175 3.760 1.088 189 3HG2 ILE 27 3HG2 ILE 27 -8.686 4.667 1.344 190 1HD1 ILE 27 1HD1 ILE 27 -10.635 8.316 -0.096 191 2HD1 ILE 27 2HD1 ILE 27 -9.861 6.822 -0.621 192 3HD1 ILE 27 3HD1 ILE 27 -8.874 8.203 -0.136 193 H ASP 28 H ASP 28 -12.623 4.259 -0.772 194 HA ASP 28 HA ASP 28 -13.756 2.296 1.092 195 1HB ASP 28 2HB ASP 28 -14.869 3.552 -1.194 196 2HB ASP 28 1HB ASP 28 -14.647 1.851 -1.589 197 H GLU 29 H GLU 29 -11.838 2.613 -1.925 198 HA GLU 29 HA GLU 29 -10.859 -0.109 -1.354 199 1HB GLU 29 2HB GLU 29 -12.495 0.181 -3.354 200 2HB GLU 29 1HB GLU 29 -11.114 0.899 -4.167 201 1HG GLU 29 2HG GLU 29 -11.208 -1.843 -2.972 202 2HG GLU 29 1HG GLU 29 -11.395 -1.460 -4.680 203 H VAL 30 H VAL 30 -8.718 -0.483 -1.537 204 HA VAL 30 HA VAL 30 -6.961 1.527 -2.725 205 HB VAL 30 HB VAL 30 -6.655 0.594 0.140 206 1HG1 VAL 30 1HG1 VAL 30 -4.812 2.532 -0.145 207 2HG1 VAL 30 2HG1 VAL 30 -4.778 1.835 -1.765 208 3HG1 VAL 30 3HG1 VAL 30 -4.466 0.815 -0.360 209 1HG2 VAL 30 1HG2 VAL 30 -7.542 3.162 -1.105 210 2HG2 VAL 30 2HG2 VAL 30 -6.719 3.175 0.455 211 3HG2 VAL 30 3HG2 VAL 30 -8.227 2.281 0.262 212 H ARG 31 H ARG 31 -5.465 0.498 -3.940 213 HA ARG 31 HA ARG 31 -4.814 -2.288 -3.220 214 1HB ARG 31 2HB ARG 31 -4.471 -1.380 -6.031 215 2HB ARG 31 1HB ARG 31 -4.899 -2.964 -5.404 216 1HG ARG 31 2HG ARG 31 -7.078 -1.515 -4.696 217 2HG ARG 31 1HG ARG 31 -6.610 -0.725 -6.202 218 1HD ARG 31 2HD ARG 31 -6.543 -3.654 -6.294 219 2HD ARG 31 1HD ARG 31 -8.145 -2.973 -6.018 220 HE ARG 31 HE ARG 31 -6.588 -2.830 -8.433 221 1HH1 ARG 31 1HH1 ARG 31 -9.164 -1.364 -6.589 222 2HH1 ARG 31 2HH1 ARG 31 -9.901 -0.626 -7.972 223 1HH2 ARG 31 1HH2 ARG 31 -7.557 -1.859 -10.251 224 2HH2 ARG 31 2HH2 ARG 31 -8.989 -0.907 -10.051 225 H TRP 32 H TRP 32 -2.758 -2.951 -3.189 226 HA TRP 32 HA TRP 32 -0.662 -0.941 -3.704 227 1HB TRP 32 2HB TRP 32 -0.847 -3.171 -1.683 228 2HB TRP 32 1HB TRP 32 0.706 -2.501 -2.156 229 HD1 TRP 32 HD TRP 32 -2.482 -1.586 -0.219 230 HE1 TRP 32 1HE TRP 32 -1.982 0.473 1.239 231 HE3 TRP 32 3HE TRP 32 2.179 -0.462 -1.980 232 HZ2 TRP 32 2HZ TRP 32 0.117 2.341 1.592 233 HZ3 TRP 32 3HZ TRP 32 3.364 1.477 -1.036 234 HH2 TRP 32 HH TRP 32 2.355 2.845 0.715 235 H GLU 33 H GLU 33 -0.634 -1.540 -5.931 236 HA GLU 33 HA GLU 33 0.148 -4.288 -6.529 237 1HB GLU 33 2HB GLU 33 -0.518 -2.030 -8.420 238 2HB GLU 33 1HB GLU 33 -0.281 -3.716 -8.858 239 1HG GLU 33 2HG GLU 33 -2.222 -4.288 -7.398 240 2HG GLU 33 1HG GLU 33 -2.504 -2.559 -7.197 241 H ARG 34 H ARG 34 1.911 -4.826 -7.799 242 HA ARG 34 HA ARG 34 3.972 -2.818 -8.270 243 1HB ARG 34 2HB ARG 34 4.155 -4.189 -5.971 244 2HB ARG 34 1HB ARG 34 4.899 -5.366 -7.045 245 1HG ARG 34 2HG ARG 34 6.485 -3.616 -7.789 246 2HG ARG 34 1HG ARG 34 5.783 -2.525 -6.595 247 1HD ARG 34 2HD ARG 34 7.580 -3.357 -5.432 248 2HD ARG 34 1HD ARG 34 6.311 -4.475 -4.937 249 HE ARG 34 HE ARG 34 8.578 -5.046 -6.665 250 1HH1 ARG 34 1HH1 ARG 34 5.531 -6.143 -5.348 251 2HH1 ARG 34 2HH1 ARG 34 5.844 -7.809 -5.694 252 1HH2 ARG 34 1HH2 ARG 34 8.983 -7.237 -7.116 253 2HH2 ARG 34 2HH2 ARG 34 7.801 -8.431 -6.694 254 H GLY 35 H GLY 35 4.499 -3.060 -10.355 255 1HA GLY 35 2HA GLY 35 4.912 -4.055 -12.392 256 2HA GLY 35 1HA GLY 35 5.453 -5.446 -11.471 257 H SER 36 H SER 36 4.387 -7.238 -11.798 258 HA SER 36 HA SER 36 1.594 -7.081 -12.731 259 1HB SER 36 2HB SER 36 3.811 -8.966 -13.525 260 2HB SER 36 1HB SER 36 2.114 -9.351 -13.810 261 HG SER 36 HG SER 36 2.063 -7.214 -14.894 262 H THR 37 H THR 37 2.111 -7.086 -10.022 263 HA THR 37 HA THR 37 0.851 -9.582 -9.237 264 HB THR 37 HB THR 37 3.511 -8.708 -8.091 265 HG1 THR 37 1HG THR 37 2.792 -11.105 -9.418 266 1HG2 THR 37 1HG2 THR 37 3.409 -10.787 -6.765 267 2HG2 THR 37 2HG2 THR 37 1.724 -10.975 -7.248 268 3HG2 THR 37 3HG2 THR 37 2.214 -9.584 -6.278 269 H LEU 38 H LEU 38 0.067 -9.535 -6.999 270 HA LEU 38 HA LEU 38 -0.541 -6.774 -6.141 271 1HB LEU 38 2HB LEU 38 -2.067 -9.304 -6.097 272 2HB LEU 38 1HB LEU 38 -2.179 -8.348 -4.642 273 HG LEU 38 HG LEU 38 -2.838 -7.258 -7.379 274 1HD1 LEU 38 1HD1 LEU 38 -4.375 -8.892 -5.474 275 2HD1 LEU 38 2HD1 LEU 38 -4.583 -8.672 -7.212 276 3HD1 LEU 38 3HD1 LEU 38 -5.195 -7.455 -6.091 277 1HD2 LEU 38 1HD2 LEU 38 -2.192 -5.620 -5.639 278 2HD2 LEU 38 2HD2 LEU 38 -3.483 -6.244 -4.613 279 3HD2 LEU 38 3HD2 LEU 38 -3.874 -5.465 -6.146 280 H VAL 39 H VAL 39 -0.302 -6.194 -3.973 281 HA VAL 39 HA VAL 39 1.339 -8.055 -2.397 282 HB VAL 39 HB VAL 39 1.539 -5.053 -2.639 283 1HG1 VAL 39 1HG1 VAL 39 3.277 -5.159 -0.891 284 2HG1 VAL 39 2HG1 VAL 39 2.856 -6.848 -0.607 285 3HG1 VAL 39 3HG1 VAL 39 1.673 -5.579 -0.288 286 1HG2 VAL 39 1HG2 VAL 39 3.596 -5.401 -3.624 287 2HG2 VAL 39 2HG2 VAL 39 2.730 -6.833 -4.184 288 3HG2 VAL 39 3HG2 VAL 39 3.838 -6.951 -2.815 289 H ALA 40 H ALA 40 -1.070 -5.472 -2.291 290 HA ALA 40 HA ALA 40 -2.556 -6.711 -0.231 291 1HB ALA 40 1HB ALA 40 -2.076 -5.439 1.672 292 2HB ALA 40 2HB ALA 40 -1.169 -4.240 0.752 293 3HB ALA 40 3HB ALA 40 -0.495 -5.849 1.008 294 H GLU 41 H GLU 41 -4.552 -6.150 -0.806 295 HA GLU 41 HA GLU 41 -5.058 -3.330 -1.471 296 1HB GLU 41 2HB GLU 41 -6.454 -3.879 -3.248 297 2HB GLU 41 1HB GLU 41 -5.147 -5.043 -3.409 298 1HG GLU 41 2HG GLU 41 -7.023 -6.284 -1.769 299 2HG GLU 41 1HG GLU 41 -7.963 -5.477 -3.017 300 H PHE 42 H PHE 42 -7.258 -2.614 -1.063 301 HA PHE 42 HA PHE 42 -8.590 -4.098 1.091 302 1HB PHE 42 2HB PHE 42 -7.334 -2.191 1.985 303 2HB PHE 42 1HB PHE 42 -8.172 -1.111 0.882 304 HD1 PHE 42 1HD PHE 42 -10.311 -0.271 1.365 305 HD2 PHE 42 2HD PHE 42 -8.616 -3.308 3.817 306 HE1 PHE 42 1HE PHE 42 -12.097 0.075 3.020 307 HE2 PHE 42 2HE PHE 42 -10.399 -2.967 5.479 308 HZ PHE 42 HZ PHE 42 -12.143 -1.273 5.082 309 H LYS 43 H LYS 43 -10.849 -3.881 1.214 310 HA LYS 43 HA LYS 43 -12.289 -2.286 -0.696 311 1HB LYS 43 2HB LYS 43 -11.467 -4.551 -1.799 312 2HB LYS 43 1HB LYS 43 -12.854 -5.207 -0.940 313 1HG LYS 43 2HG LYS 43 -14.372 -3.972 -2.181 314 2HG LYS 43 1HG LYS 43 -13.153 -2.799 -2.687 315 1HD LYS 43 2HD LYS 43 -12.059 -4.636 -3.994 316 2HD LYS 43 1HD LYS 43 -13.452 -5.651 -3.616 317 1HE LYS 43 2HE LYS 43 -14.111 -4.822 -5.640 318 2HE LYS 43 1HE LYS 43 -14.782 -3.587 -4.575 319 1HZ LYS 43 1HZ LYS 43 -12.053 -3.215 -5.570 320 2HZ LYS 43 2HZ LYS 43 -13.239 -2.062 -5.216 321 3HZ LYS 43 3HZ LYS 43 -13.331 -2.957 -6.648 322 H ARG 44 H ARG 44 -13.808 -1.477 0.595 323 HA ARG 44 HA ARG 44 -14.681 -2.497 2.988 324 1HB ARG 44 2HB ARG 44 -15.121 -0.211 2.422 325 2HB ARG 44 1HB ARG 44 -16.111 -0.700 1.055 326 1HG ARG 44 2HG ARG 44 -17.560 0.022 2.799 327 2HG ARG 44 1HG ARG 44 -17.707 -1.732 2.667 328 1HD ARG 44 2HD ARG 44 -17.595 -1.011 5.003 329 2HD ARG 44 1HD ARG 44 -16.212 -2.014 4.568 330 HE ARG 44 HE ARG 44 -15.482 0.648 4.188 331 1HH1 ARG 44 1HH1 ARG 44 -16.357 -1.479 6.813 332 2HH1 ARG 44 2HH1 ARG 44 -15.407 -0.627 7.984 333 1HH2 ARG 44 1HH2 ARG 44 -14.233 1.769 5.727 334 2HH2 ARG 44 2HH2 ARG 44 -14.201 1.218 7.368 335 H LYS 45 H LYS 45 -16.418 -2.616 0.006 336 HA LYS 45 HA LYS 45 -18.233 -4.639 0.980 337 1HB LYS 45 2HB LYS 45 -18.631 -2.659 -0.755 338 2HB LYS 45 1HB LYS 45 -18.146 -3.897 -1.904 339 1HG LYS 45 2HG LYS 45 -19.922 -5.364 -1.035 340 2HG LYS 45 1HG LYS 45 -20.432 -4.067 0.046 341 1HD LYS 45 2HD LYS 45 -21.262 -2.777 -1.672 342 2HD LYS 45 1HD LYS 45 -20.206 -3.518 -2.877 343 1HE LYS 45 2HE LYS 45 -22.448 -4.252 -3.289 344 2HE LYS 45 1HE LYS 45 -21.526 -5.614 -2.655 345 1HZ LYS 45 1HZ LYS 45 -23.031 -3.941 -0.774 346 2HZ LYS 45 2HZ LYS 45 -22.662 -5.589 -0.691 347 3HZ LYS 45 3HZ LYS 45 -23.884 -5.049 -1.728 348 H MET 46 H MET 46 -15.722 -5.651 1.134 349 HA MET 46 HA MET 46 -15.896 -8.064 -0.256 350 1HB MET 46 2HB MET 46 -14.655 -5.921 -1.736 351 2HB MET 46 1HB MET 46 -13.490 -7.200 -1.428 352 1HG MET 46 2HG MET 46 -15.615 -8.655 -2.223 353 2HG MET 46 1HG MET 46 -15.869 -7.175 -3.146 354 1HE MET 46 1HE MET 46 -15.123 -10.311 -3.427 355 2HE MET 46 2HE MET 46 -13.646 -10.625 -4.340 356 3HE MET 46 3HE MET 46 -15.049 -9.925 -5.146 357 H LYS 47 H LYS 47 -13.382 -8.997 -0.355 358 HA LYS 47 HA LYS 47 -12.419 -8.603 2.396 359 1HB LYS 47 2HB LYS 47 -12.127 -10.993 0.566 360 2HB LYS 47 1HB LYS 47 -11.442 -10.873 2.181 361 1HG LYS 47 2HG LYS 47 -14.006 -10.341 2.748 362 2HG LYS 47 1HG LYS 47 -14.220 -11.369 1.330 363 1HD LYS 47 2HD LYS 47 -14.095 -13.047 2.828 364 2HD LYS 47 1HD LYS 47 -12.355 -12.774 2.707 365 1HE LYS 47 2HE LYS 47 -12.444 -11.288 4.638 366 2HE LYS 47 1HE LYS 47 -14.188 -11.521 4.748 367 1HZ LYS 47 1HZ LYS 47 -13.171 -12.946 6.325 368 2HZ LYS 47 2HZ LYS 47 -12.073 -13.552 5.190 369 3HZ LYS 47 3HZ LYS 47 -13.716 -13.934 5.063 370 HA PRO 48 HA PRO 48 -8.542 -7.228 0.774 371 1HB PRO 48 2HB PRO 48 -7.026 -8.101 3.013 372 2HB PRO 48 1HB PRO 48 -7.715 -6.505 2.738 373 1HG PRO 48 2HG PRO 48 -8.510 -8.279 4.722 374 2HG PRO 48 1HG PRO 48 -9.456 -6.901 4.136 375 1HD PRO 48 2HD PRO 48 -9.700 -9.798 3.462 376 2HD PRO 48 1HD PRO 48 -10.965 -8.562 3.628 377 H PHE 49 H PHE 49 -6.409 -7.861 0.107 378 HA PHE 49 HA PHE 49 -5.999 -10.771 -0.041 379 1HB PHE 49 2HB PHE 49 -6.744 -10.183 -2.218 380 2HB PHE 49 1HB PHE 49 -5.765 -8.721 -2.240 381 HD1 PHE 49 1HD PHE 49 -5.731 -12.368 -2.597 382 HD2 PHE 49 2HD PHE 49 -3.418 -8.798 -2.792 383 HE1 PHE 49 1HE PHE 49 -3.928 -13.597 -3.732 384 HE2 PHE 49 2HE PHE 49 -1.618 -10.017 -3.926 385 HZ PHE 49 HZ PHE 49 -1.866 -12.423 -4.397 386 H LEU 50 H LEU 50 -4.372 -10.970 1.428 387 HA LEU 50 HA LEU 50 -2.111 -9.144 1.319 388 1HB LEU 50 2HB LEU 50 -3.161 -11.149 3.243 389 2HB LEU 50 1HB LEU 50 -1.431 -10.898 3.232 390 HG LEU 50 HG LEU 50 -3.515 -8.768 3.714 391 1HD1 LEU 50 1HD1 LEU 50 -1.718 -10.339 5.527 392 2HD1 LEU 50 2HD1 LEU 50 -3.455 -10.062 5.653 393 3HD1 LEU 50 3HD1 LEU 50 -2.326 -8.747 5.983 394 1HD2 LEU 50 1HD2 LEU 50 -1.890 -7.419 2.963 395 2HD2 LEU 50 2HD2 LEU 50 -0.647 -8.660 3.117 396 3HD2 LEU 50 3HD2 LEU 50 -1.144 -7.729 4.533 397 H LYS 51 H LYS 51 -0.640 -9.599 -0.222 398 HA LYS 51 HA LYS 51 -0.308 -11.919 -1.632 399 1HB LYS 51 2HB LYS 51 0.772 -9.825 -2.246 400 2HB LYS 51 1HB LYS 51 1.844 -9.944 -0.858 401 1HG LYS 51 2HG LYS 51 2.355 -12.299 -2.073 402 2HG LYS 51 1HG LYS 51 1.961 -11.293 -3.467 403 1HD LYS 51 2HD LYS 51 3.748 -10.041 -1.498 404 2HD LYS 51 1HD LYS 51 4.420 -11.449 -2.324 405 1HE LYS 51 2HE LYS 51 4.036 -10.451 -4.468 406 2HE LYS 51 1HE LYS 51 3.144 -9.116 -3.741 407 1HZ LYS 51 1HZ LYS 51 5.492 -8.955 -2.464 408 2HZ LYS 51 2HZ LYS 51 5.111 -8.080 -3.860 409 3HZ LYS 51 3HZ LYS 51 5.997 -9.516 -3.978 410 H SER 52 H SER 52 0.994 -11.163 1.540 411 HA SER 52 HA SER 52 1.371 -13.878 2.195 412 1HB SER 52 2HB SER 52 3.828 -13.949 2.343 413 2HB SER 52 1HB SER 52 3.295 -13.704 0.680 414 HG SER 52 HG SER 52 4.736 -12.048 2.331 415 H GLY 53 H GLY 53 2.420 -14.158 4.327 416 1HA GLY 53 2HA GLY 53 1.416 -12.296 6.167 417 2HA GLY 53 1HA GLY 53 2.491 -13.606 6.607 418 H ALA 54 H ALA 54 4.215 -12.007 4.303 419 HA ALA 54 HA ALA 54 5.861 -10.729 6.275 420 1HB ALA 54 1HB ALA 54 6.388 -10.256 3.408 421 2HB ALA 54 2HB ALA 54 6.434 -11.932 3.957 422 3HB ALA 54 3HB ALA 54 7.487 -10.730 4.703 423 H PHE 55 H PHE 55 3.054 -9.694 5.067 424 HA PHE 55 HA PHE 55 3.909 -6.886 5.158 425 1HB PHE 55 2HB PHE 55 1.837 -7.994 3.262 426 2HB PHE 55 1HB PHE 55 2.322 -6.314 3.398 427 HD1 PHE 55 1HD PHE 55 3.028 -9.495 1.894 428 HD2 PHE 55 2HD PHE 55 4.647 -5.670 2.793 429 HE1 PHE 55 1HE PHE 55 4.774 -9.840 0.195 430 HE2 PHE 55 2HE PHE 55 6.392 -5.997 1.093 431 HZ PHE 55 HZ PHE 55 6.459 -8.090 -0.209 432 H GLU 56 H GLU 56 2.252 -5.391 5.769 433 HA GLU 56 HA GLU 56 -0.175 -6.457 6.946 434 1HB GLU 56 2HB GLU 56 1.657 -6.553 8.705 435 2HB GLU 56 1HB GLU 56 1.703 -4.797 8.633 436 1HG GLU 56 2HG GLU 56 0.321 -5.192 10.431 437 2HG GLU 56 1HG GLU 56 -0.827 -4.940 9.117 438 H ILE 57 H ILE 57 -1.737 -5.173 6.242 439 HA ILE 57 HA ILE 57 -1.159 -2.564 5.197 440 HB ILE 57 HB ILE 57 -2.833 -4.021 4.135 441 1HG1 ILE 57 2HG1 ILE 57 -4.337 -1.627 5.127 442 2HG1 ILE 57 1HG1 ILE 57 -2.866 -1.401 4.186 443 1HG2 ILE 57 1HG2 ILE 57 -5.053 -3.488 5.883 444 2HG2 ILE 57 2HG2 ILE 57 -3.789 -4.368 6.741 445 3HG2 ILE 57 3HG2 ILE 57 -4.466 -5.026 5.252 446 1HD1 ILE 57 1HD1 ILE 57 -4.834 -3.274 3.056 447 2HD1 ILE 57 2HD1 ILE 57 -3.842 -2.046 2.269 448 3HD1 ILE 57 3HD1 ILE 57 -5.317 -1.578 3.116 449 H LEU 58 H LEU 58 -0.594 -1.128 6.740 450 HA LEU 58 HA LEU 58 -1.543 -0.886 9.317 451 1HB LEU 58 2HB LEU 58 -0.001 0.698 7.487 452 2HB LEU 58 1HB LEU 58 -1.090 1.740 8.380 453 HG LEU 58 HG LEU 58 -0.148 1.084 10.472 454 1HD1 LEU 58 1HD1 LEU 58 1.795 -0.558 10.474 455 2HD1 LEU 58 2HD1 LEU 58 1.235 -1.050 8.875 456 3HD1 LEU 58 3HD1 LEU 58 0.177 -1.233 10.274 457 1HD2 LEU 58 1HD2 LEU 58 1.634 1.936 8.289 458 2HD2 LEU 58 2HD2 LEU 58 2.432 1.373 9.757 459 3HD2 LEU 58 3HD2 LEU 58 1.280 2.707 9.835 460 H ALA 59 H ALA 59 -2.919 0.852 10.240 461 HA ALA 59 HA ALA 59 -5.530 0.722 9.158 462 1HB ALA 59 1HB ALA 59 -4.256 2.021 11.495 463 2HB ALA 59 2HB ALA 59 -5.657 0.953 11.412 464 3HB ALA 59 3HB ALA 59 -5.816 2.653 10.969 465 H ASN 60 H ASN 60 -2.920 2.931 8.679 466 HA ASN 60 HA ASN 60 -4.693 4.970 7.563 467 1HB ASN 60 2HB ASN 60 -2.496 6.244 7.287 468 2HB ASN 60 1HB ASN 60 -3.030 5.934 8.936 469 1HD2 ASN 60 1HD2 ASN 60 -1.958 4.358 10.166 470 2HD2 ASN 60 2HD2 ASN 60 -0.361 3.835 9.762 471 H GLY 61 H GLY 61 -4.414 2.417 6.220 472 1HA GLY 61 2HA GLY 61 -4.124 1.589 4.097 473 2HA GLY 61 1HA GLY 61 -4.204 3.264 3.576 474 H ASP 62 H ASP 62 -1.733 1.875 5.679 475 HA ASP 62 HA ASP 62 0.250 2.511 3.596 476 1HB ASP 62 2HB ASP 62 0.239 2.838 6.533 477 2HB ASP 62 1HB ASP 62 1.745 2.229 5.854 478 H LEU 63 H LEU 63 2.135 1.131 3.426 479 HA LEU 63 HA LEU 63 1.408 -1.711 3.830 480 1HB LEU 63 2HB LEU 63 2.091 -0.719 1.560 481 2HB LEU 63 1HB LEU 63 3.717 -0.646 2.213 482 HG LEU 63 HG LEU 63 3.425 -3.170 2.674 483 1HD1 LEU 63 1HD1 LEU 63 0.909 -2.910 2.035 484 2HD1 LEU 63 2HD1 LEU 63 1.801 -4.355 1.553 485 3HD1 LEU 63 3HD1 LEU 63 1.515 -3.060 0.384 486 1HD2 LEU 63 1HD2 LEU 63 3.878 -3.563 0.127 487 2HD2 LEU 63 2HD2 LEU 63 5.028 -2.655 1.112 488 3HD2 LEU 63 3HD2 LEU 63 3.892 -1.801 0.069 489 H LYS 64 H LYS 64 2.332 -2.807 5.458 490 HA LYS 64 HA LYS 64 4.844 -1.755 6.576 491 1HB LYS 64 2HB LYS 64 2.497 -2.220 7.880 492 2HB LYS 64 1HB LYS 64 3.338 -3.740 8.151 493 1HG LYS 64 2HG LYS 64 5.311 -2.268 8.898 494 2HG LYS 64 1HG LYS 64 4.108 -0.983 9.017 495 1HD LYS 64 2HD LYS 64 3.838 -1.767 11.113 496 2HD LYS 64 1HD LYS 64 2.837 -2.986 10.322 497 1HE LYS 64 2HE LYS 64 4.356 -4.631 10.642 498 2HE LYS 64 1HE LYS 64 5.730 -3.551 10.410 499 1HZ LYS 64 1HZ LYS 64 4.051 -3.577 12.856 500 2HZ LYS 64 2HZ LYS 64 5.507 -2.748 12.624 501 3HZ LYS 64 3HZ LYS 64 5.499 -4.438 12.700 502 H ILE 65 H ILE 65 6.533 -2.824 5.766 503 HA ILE 65 HA ILE 65 6.321 -5.635 5.050 504 HB ILE 65 HB ILE 65 8.892 -4.106 4.965 505 1HG1 ILE 65 2HG1 ILE 65 6.569 -3.810 3.042 506 2HG1 ILE 65 1HG1 ILE 65 7.352 -2.541 3.975 507 1HG2 ILE 65 1HG2 ILE 65 7.764 -6.545 3.805 508 2HG2 ILE 65 2HG2 ILE 65 9.441 -6.115 4.143 509 3HG2 ILE 65 3HG2 ILE 65 8.667 -5.550 2.664 510 1HD1 ILE 65 1HD1 ILE 65 9.273 -3.880 2.312 511 2HD1 ILE 65 2HD1 ILE 65 8.817 -2.178 2.365 512 3HD1 ILE 65 3HD1 ILE 65 7.908 -3.302 1.355 513 H LYS 66 H LYS 66 7.290 -7.321 6.131 514 HA LYS 66 HA LYS 66 8.094 -6.796 8.855 515 1HB LYS 66 2HB LYS 66 6.574 -8.652 8.364 516 2HB LYS 66 1HB LYS 66 7.814 -9.407 7.372 517 1HG LYS 66 2HG LYS 66 9.237 -9.662 9.340 518 2HG LYS 66 1HG LYS 66 7.993 -8.903 10.336 519 1HD LYS 66 2HD LYS 66 6.512 -10.821 9.221 520 2HD LYS 66 1HD LYS 66 8.087 -11.616 9.142 521 1HE LYS 66 2HE LYS 66 7.575 -12.286 11.229 522 2HE LYS 66 1HE LYS 66 8.133 -10.673 11.674 523 1HZ LYS 66 1HZ LYS 66 6.051 -9.981 12.128 524 2HZ LYS 66 2HZ LYS 66 5.765 -11.631 12.370 525 3HZ LYS 66 3HZ LYS 66 5.338 -10.905 10.903 526 H ASN 67 H ASN 67 9.539 -8.280 6.016 527 HA ASN 67 HA ASN 67 12.186 -7.600 7.025 528 1HB ASN 67 2HB ASN 67 11.125 -10.284 6.947 529 2HB ASN 67 1HB ASN 67 12.497 -10.145 5.851 530 1HD2 ASN 67 1HD2 ASN 67 13.685 -11.528 7.208 531 2HD2 ASN 67 2HD2 ASN 67 14.379 -10.957 8.684 532 H LEU 68 H LEU 68 12.968 -6.348 5.473 533 HA LEU 68 HA LEU 68 12.065 -6.151 2.883 534 1HB LEU 68 2HB LEU 68 14.657 -5.430 4.192 535 2HB LEU 68 1HB LEU 68 14.414 -5.154 2.477 536 HG LEU 68 HG LEU 68 12.317 -4.147 4.302 537 1HD1 LEU 68 1HD1 LEU 68 13.606 -2.084 4.724 538 2HD1 LEU 68 2HD1 LEU 68 15.033 -2.868 4.050 539 3HD1 LEU 68 3HD1 LEU 68 14.293 -3.495 5.522 540 1HD2 LEU 68 1HD2 LEU 68 13.374 -3.635 1.631 541 2HD2 LEU 68 2HD2 LEU 68 12.952 -2.184 2.538 542 3HD2 LEU 68 3HD2 LEU 68 11.743 -3.439 2.265 543 H THR 69 H THR 69 12.686 -6.907 0.926 544 HA THR 69 HA THR 69 14.719 -9.007 0.791 545 HB THR 69 HB THR 69 13.024 -10.306 -0.684 546 HG1 THR 69 1HG THR 69 10.865 -9.975 0.001 547 1HG2 THR 69 1HG2 THR 69 12.644 -10.195 2.295 548 2HG2 THR 69 2HG2 THR 69 13.793 -11.205 1.418 549 3HG2 THR 69 3HG2 THR 69 12.059 -11.475 1.232 550 H ARG 70 H ARG 70 15.331 -9.553 -1.430 551 HA ARG 70 HA ARG 70 15.945 -7.339 -2.979 552 1HB ARG 70 2HB ARG 70 15.563 -10.016 -4.281 553 2HB ARG 70 1HB ARG 70 16.801 -8.807 -4.582 554 1HG ARG 70 2HG ARG 70 18.150 -10.088 -3.367 555 2HG ARG 70 1HG ARG 70 17.251 -9.527 -1.957 556 1HD ARG 70 2HD ARG 70 16.037 -11.465 -1.789 557 2HD ARG 70 1HD ARG 70 16.166 -11.820 -3.512 558 HE ARG 70 HE ARG 70 18.700 -11.984 -2.243 559 1HH1 ARG 70 1HH1 ARG 70 15.694 -13.710 -2.644 560 2HH1 ARG 70 2HH1 ARG 70 16.409 -15.267 -2.391 561 1HH2 ARG 70 1HH2 ARG 70 19.643 -14.030 -1.911 562 2HH2 ARG 70 2HH2 ARG 70 18.651 -15.449 -1.975 563 H ASP 71 H ASP 71 13.415 -9.755 -3.688 564 HA ASP 71 HA ASP 71 12.341 -8.534 -5.918 565 1HB ASP 71 2HB ASP 71 10.230 -9.781 -5.205 566 2HB ASP 71 1HB ASP 71 11.673 -10.743 -5.467 567 H ASP 72 H ASP 72 12.145 -7.550 -2.621 568 HA ASP 72 HA ASP 72 9.699 -6.069 -2.907 569 1HB ASP 72 2HB ASP 72 10.974 -7.040 -0.750 570 2HB ASP 72 1HB ASP 72 11.580 -5.386 -0.718 571 H SER 73 H SER 73 12.933 -5.518 -3.796 572 HA SER 73 HA SER 73 12.805 -2.635 -3.563 573 1HB SER 73 2HB SER 73 15.043 -2.665 -4.541 574 2HB SER 73 1HB SER 73 14.943 -3.840 -3.232 575 HG SER 73 HG SER 73 15.442 -4.227 -5.878 576 H GLY 74 H GLY 74 12.105 -1.270 -5.100 577 1HA GLY 74 2HA GLY 74 12.443 -1.261 -7.763 578 2HA GLY 74 1HA GLY 74 11.122 -2.402 -7.577 579 H THR 75 H THR 75 9.338 -1.279 -8.337 580 HA THR 75 HA THR 75 8.815 1.359 -7.087 581 HB THR 75 HB THR 75 8.579 0.440 -9.932 582 HG1 THR 75 1HG THR 75 10.314 1.788 -9.080 583 1HG2 THR 75 1HG2 THR 75 6.986 2.723 -8.799 584 2HG2 THR 75 2HG2 THR 75 6.327 1.209 -9.421 585 3HG2 THR 75 3HG2 THR 75 7.167 2.317 -10.505 586 H TYR 76 H TYR 76 6.923 1.548 -6.060 587 HA TYR 76 HA TYR 76 4.961 -0.629 -6.354 588 1HB TYR 76 2HB TYR 76 5.562 1.226 -4.046 589 2HB TYR 76 1HB TYR 76 4.114 0.228 -4.108 590 HD1 TYR 76 1HD TYR 76 7.816 -0.147 -4.500 591 HD2 TYR 76 2HD TYR 76 4.190 -1.813 -3.026 592 HE1 TYR 76 1HE TYR 76 9.080 -2.007 -3.513 593 HE2 TYR 76 2HE TYR 76 5.449 -3.685 -2.036 594 HH TYR 76 HH TYR 76 8.914 -4.056 -2.560 595 H ASN 77 H ASN 77 2.714 -0.087 -6.450 596 HA ASN 77 HA ASN 77 2.149 2.726 -7.093 597 1HB ASN 77 2HB ASN 77 1.820 0.341 -8.814 598 2HB ASN 77 1HB ASN 77 0.474 1.476 -8.808 599 1HD2 ASN 77 1HD2 ASN 77 2.838 0.682 -10.659 600 2HD2 ASN 77 2HD2 ASN 77 3.398 2.212 -11.232 601 H VAL 78 H VAL 78 0.482 3.509 -5.982 602 HA VAL 78 HA VAL 78 -1.430 1.593 -4.830 603 HB VAL 78 HB VAL 78 -1.514 4.334 -3.766 604 1HG1 VAL 78 1HG1 VAL 78 -2.504 3.272 -2.088 605 2HG1 VAL 78 2HG1 VAL 78 -1.139 2.171 -1.885 606 3HG1 VAL 78 3HG1 VAL 78 -2.403 1.806 -3.058 607 1HG2 VAL 78 1HG2 VAL 78 0.998 2.748 -3.650 608 2HG2 VAL 78 2HG2 VAL 78 0.467 3.561 -2.173 609 3HG2 VAL 78 3HG2 VAL 78 0.755 4.496 -3.643 610 H THR 79 H THR 79 -3.538 1.733 -5.291 611 HA THR 79 HA THR 79 -4.464 4.045 -6.862 612 HB THR 79 HB THR 79 -6.053 1.636 -7.247 613 HG1 THR 79 1HG THR 79 -4.017 0.626 -6.984 614 1HG2 THR 79 1HG2 THR 79 -4.868 3.773 -8.876 615 2HG2 THR 79 2HG2 THR 79 -6.463 3.024 -8.957 616 3HG2 THR 79 3HG2 THR 79 -5.071 2.215 -9.676 617 H VAL 80 H VAL 80 -5.538 5.229 -5.407 618 HA VAL 80 HA VAL 80 -7.220 3.920 -3.413 619 HB VAL 80 HB VAL 80 -6.498 6.836 -3.751 620 1HG1 VAL 80 1HG1 VAL 80 -8.672 6.516 -2.647 621 2HG1 VAL 80 2HG1 VAL 80 -7.457 7.181 -1.555 622 3HG1 VAL 80 3HG1 VAL 80 -7.898 5.475 -1.454 623 1HG2 VAL 80 1HG2 VAL 80 -4.944 4.729 -2.784 624 2HG2 VAL 80 2HG2 VAL 80 -5.541 5.556 -1.346 625 3HG2 VAL 80 3HG2 VAL 80 -4.649 6.453 -2.573 626 H TYR 81 H TYR 81 -9.364 3.814 -3.514 627 HA TYR 81 HA TYR 81 -10.745 5.466 -5.520 628 1HB TYR 81 2HB TYR 81 -11.321 2.629 -4.718 629 2HB TYR 81 1HB TYR 81 -12.371 3.592 -5.724 630 HD1 TYR 81 1HD TYR 81 -11.621 4.299 -7.987 631 HD2 TYR 81 2HD TYR 81 -9.349 1.590 -5.617 632 HE1 TYR 81 1HE TYR 81 -10.367 3.606 -9.986 633 HE2 TYR 81 2HE TYR 81 -8.093 0.891 -7.609 634 HH TYR 81 HH TYR 81 -7.554 1.591 -9.791 635 H SER 82 H SER 82 -12.896 6.010 -5.074 636 HA SER 82 HA SER 82 -13.373 6.526 -2.254 637 1HB SER 82 2HB SER 82 -15.477 7.640 -3.709 638 2HB SER 82 1HB SER 82 -14.054 8.475 -3.090 639 HG SER 82 HG SER 82 -13.016 7.962 -5.087 640 H THR 83 H THR 83 -15.863 6.593 -1.742 641 HA THR 83 HA THR 83 -16.724 3.913 -1.590 642 HB THR 83 HB THR 83 -18.878 4.939 -0.741 643 HG1 THR 83 1HG THR 83 -17.455 7.376 -0.906 644 1HG2 THR 83 1HG2 THR 83 -16.941 4.403 0.750 645 2HG2 THR 83 2HG2 THR 83 -18.008 5.684 1.326 646 3HG2 THR 83 3HG2 THR 83 -16.453 6.092 0.601 647 H ASN 84 H ASN 84 -17.209 6.363 -3.968 648 HA ASN 84 HA ASN 84 -19.445 4.922 -5.176 649 1HB ASN 84 2HB ASN 84 -18.258 7.643 -5.530 650 2HB ASN 84 1HB ASN 84 -19.169 6.934 -6.860 651 1HD2 ASN 84 1HD2 ASN 84 -19.884 9.264 -5.437 652 2HD2 ASN 84 2HD2 ASN 84 -21.382 8.956 -4.634 653 H GLY 85 H GLY 85 -16.589 3.954 -5.115 654 1HA GLY 85 2HA GLY 85 -15.168 2.835 -6.525 655 2HA GLY 85 1HA GLY 85 -16.514 2.778 -7.653 656 H THR 86 H THR 86 -15.280 5.836 -6.554 657 HA THR 86 HA THR 86 -14.416 6.423 -9.281 658 HB THR 86 HB THR 86 -14.322 8.525 -7.192 659 HG1 THR 86 1HG THR 86 -16.277 8.179 -6.562 660 1HG2 THR 86 1HG2 THR 86 -15.009 8.323 -10.063 661 2HG2 THR 86 2HG2 THR 86 -14.048 9.526 -9.203 662 3HG2 THR 86 3HG2 THR 86 -15.808 9.575 -9.111 663 H ARG 87 H ARG 87 -12.384 7.395 -9.732 664 HA ARG 87 HA ARG 87 -10.236 6.273 -8.209 665 1HB ARG 87 2HB ARG 87 -9.773 8.350 -10.308 666 2HB ARG 87 1HB ARG 87 -8.840 6.906 -9.943 667 1HG ARG 87 2HG ARG 87 -11.302 5.932 -10.762 668 2HG ARG 87 1HG ARG 87 -10.987 7.294 -11.839 669 1HD ARG 87 2HD ARG 87 -8.926 5.180 -11.280 670 2HD ARG 87 1HD ARG 87 -10.124 5.006 -12.562 671 HE ARG 87 HE ARG 87 -8.713 7.486 -12.715 672 1HH1 ARG 87 1HH1 ARG 87 -8.532 4.091 -13.501 673 2HH1 ARG 87 2HH1 ARG 87 -7.428 4.325 -14.813 674 1HH2 ARG 87 1HH2 ARG 87 -7.259 7.796 -14.442 675 2HH2 ARG 87 2HH2 ARG 87 -6.704 6.428 -15.347 676 H ILE 88 H ILE 88 -9.340 7.129 -6.468 677 HA ILE 88 HA ILE 88 -9.802 9.939 -5.847 678 HB ILE 88 HB ILE 88 -8.664 7.691 -4.187 679 1HG1 ILE 88 2HG1 ILE 88 -11.108 7.634 -4.643 680 2HG1 ILE 88 1HG1 ILE 88 -10.732 7.849 -2.937 681 1HG2 ILE 88 1HG2 ILE 88 -8.907 10.618 -3.625 682 2HG2 ILE 88 2HG2 ILE 88 -7.566 9.521 -3.291 683 3HG2 ILE 88 3HG2 ILE 88 -9.032 9.445 -2.313 684 1HD1 ILE 88 1HD1 ILE 88 -12.048 9.677 -4.834 685 2HD1 ILE 88 2HD1 ILE 88 -10.956 10.414 -3.662 686 3HD1 ILE 88 3HD1 ILE 88 -12.316 9.437 -3.108 687 H LEU 89 H LEU 89 -6.969 7.793 -5.438 688 HA LEU 89 HA LEU 89 -5.298 9.804 -6.732 689 1HB LEU 89 2HB LEU 89 -5.084 10.598 -4.551 690 2HB LEU 89 1HB LEU 89 -5.106 8.988 -3.857 691 HG LEU 89 HG LEU 89 -2.806 9.615 -5.616 692 1HD1 LEU 89 1HD1 LEU 89 -1.807 10.585 -3.332 693 2HD1 LEU 89 2HD1 LEU 89 -3.465 11.167 -3.191 694 3HD1 LEU 89 3HD1 LEU 89 -2.493 11.607 -4.595 695 1HD2 LEU 89 1HD2 LEU 89 -2.119 7.740 -4.641 696 2HD2 LEU 89 2HD2 LEU 89 -3.527 7.736 -3.582 697 3HD2 LEU 89 3HD2 LEU 89 -2.063 8.587 -3.096 698 H ASN 90 H ASN 90 -3.695 8.970 -7.880 699 HA ASN 90 HA ASN 90 -3.023 6.123 -7.513 700 1HB ASN 90 2HB ASN 90 -4.136 7.259 -9.764 701 2HB ASN 90 1HB ASN 90 -2.417 7.292 -10.142 702 1HD2 ASN 90 1HD2 ASN 90 -1.646 4.977 -8.762 703 2HD2 ASN 90 2HD2 ASN 90 -2.315 3.612 -9.581 704 H LYS 91 H LYS 91 -1.123 6.097 -6.458 705 HA LYS 91 HA LYS 91 0.942 8.015 -7.340 706 1HB LYS 91 2HB LYS 91 0.521 6.801 -4.609 707 2HB LYS 91 1HB LYS 91 1.911 7.776 -5.055 708 1HG LYS 91 2HG LYS 91 -0.768 8.937 -5.531 709 2HG LYS 91 1HG LYS 91 -0.227 8.786 -3.859 710 1HD LYS 91 2HD LYS 91 1.627 10.177 -4.215 711 2HD LYS 91 1HD LYS 91 1.518 10.017 -5.969 712 1HE LYS 91 2HE LYS 91 -0.791 11.149 -5.687 713 2HE LYS 91 1HE LYS 91 -0.177 11.641 -4.110 714 1HZ LYS 91 1HZ LYS 91 0.607 12.532 -6.769 715 2HZ LYS 91 2HZ LYS 91 1.853 12.369 -5.636 716 3HZ LYS 91 3HZ LYS 91 0.545 13.392 -5.311 717 H ALA 92 H ALA 92 3.134 7.374 -7.246 718 HA ALA 92 HA ALA 92 3.664 4.495 -7.242 719 1HB ALA 92 1HB ALA 92 3.274 5.492 -9.593 720 2HB ALA 92 2HB ALA 92 4.694 4.479 -9.328 721 3HB ALA 92 3HB ALA 92 4.857 6.235 -9.367 722 H LEU 93 H LEU 93 5.346 4.091 -5.935 723 HA LEU 93 HA LEU 93 7.321 6.241 -5.518 724 1HB LEU 93 2HB LEU 93 6.766 4.132 -3.467 725 2HB LEU 93 1HB LEU 93 7.485 5.716 -3.252 726 HG LEU 93 HG LEU 93 5.164 6.642 -3.880 727 1HD1 LEU 93 1HD1 LEU 93 3.440 4.859 -2.956 728 2HD1 LEU 93 2HD1 LEU 93 4.628 3.734 -3.616 729 3HD1 LEU 93 3HD1 LEU 93 3.875 4.936 -4.664 730 1HD2 LEU 93 1HD2 LEU 93 5.441 5.130 -1.287 731 2HD2 LEU 93 2HD2 LEU 93 4.450 6.557 -1.590 732 3HD2 LEU 93 3HD2 LEU 93 6.208 6.682 -1.626 733 H ASP 94 H ASP 94 9.477 5.533 -4.875 734 HA ASP 94 HA ASP 94 10.206 3.000 -6.186 735 1HB ASP 94 2HB ASP 94 11.716 5.592 -5.848 736 2HB ASP 94 1HB ASP 94 12.514 4.093 -6.318 737 H LEU 95 H LEU 95 10.700 1.420 -4.789 738 HA LEU 95 HA LEU 95 11.628 2.138 -2.113 739 1HB LEU 95 2HB LEU 95 9.704 0.388 -2.908 740 2HB LEU 95 1HB LEU 95 11.075 -0.690 -2.729 741 HG LEU 95 HG LEU 95 9.866 1.070 -0.603 742 1HD1 LEU 95 1HD1 LEU 95 9.239 -0.941 0.472 743 2HD1 LEU 95 2HD1 LEU 95 10.156 -1.918 -0.675 744 3HD1 LEU 95 3HD1 LEU 95 8.707 -1.064 -1.202 745 1HD2 LEU 95 1HD2 LEU 95 12.460 0.756 -0.671 746 2HD2 LEU 95 2HD2 LEU 95 12.077 -0.855 -0.065 747 3HD2 LEU 95 3HD2 LEU 95 11.576 0.573 0.843 748 H ARG 96 H ARG 96 13.817 2.408 -2.202 749 HA ARG 96 HA ARG 96 15.430 0.388 -3.568 750 1HB ARG 96 2HB ARG 96 16.909 2.560 -2.264 751 2HB ARG 96 1HB ARG 96 16.974 1.965 -3.909 752 1HG ARG 96 2HG ARG 96 14.877 3.846 -2.874 753 2HG ARG 96 1HG ARG 96 16.304 4.315 -3.794 754 1HD ARG 96 2HD ARG 96 13.955 2.673 -4.696 755 2HD ARG 96 1HD ARG 96 14.544 4.195 -5.360 756 HE ARG 96 HE ARG 96 16.629 2.550 -5.763 757 1HH1 ARG 96 1HH1 ARG 96 13.227 2.234 -6.475 758 2HH1 ARG 96 2HH1 ARG 96 13.484 1.224 -7.857 759 1HH2 ARG 96 1HH2 ARG 96 16.967 1.222 -7.581 760 2HH2 ARG 96 2HH2 ARG 96 15.606 0.649 -8.485 761 H ILE 97 H ILE 97 16.069 -1.296 -2.442 762 HA ILE 97 HA ILE 97 16.556 -0.967 0.446 763 HB ILE 97 HB ILE 97 15.922 -3.592 -0.869 764 1HG1 ILE 97 2HG1 ILE 97 13.807 -2.038 0.566 765 2HG1 ILE 97 1HG1 ILE 97 14.139 -1.652 -1.117 766 1HG2 ILE 97 1HG2 ILE 97 15.738 -4.434 1.233 767 2HG2 ILE 97 2HG2 ILE 97 15.193 -2.904 1.921 768 3HG2 ILE 97 3HG2 ILE 97 16.900 -3.148 1.553 769 1HD1 ILE 97 1HD1 ILE 97 13.558 -3.837 -1.819 770 2HD1 ILE 97 2HD1 ILE 97 12.283 -3.277 -0.738 771 3HD1 ILE 97 3HD1 ILE 97 13.493 -4.423 -0.159 772 H LEU 98 H LEU 98 18.607 -1.129 1.043 773 HA LEU 98 HA LEU 98 20.663 -1.984 -0.686 774 1HB LEU 98 2HB LEU 98 20.376 -0.936 2.057 775 2HB LEU 98 1HB LEU 98 21.803 -1.892 1.756 776 HG LEU 98 HG LEU 98 21.005 0.521 0.146 777 1HD1 LEU 98 1HD1 LEU 98 21.789 0.677 2.689 778 2HD1 LEU 98 2HD1 LEU 98 22.268 1.859 1.471 779 3HD1 LEU 98 3HD1 LEU 98 23.372 0.560 1.922 780 1HD2 LEU 98 1HD2 LEU 98 23.789 -0.400 0.157 781 2HD2 LEU 98 2HD2 LEU 98 22.779 0.150 -1.179 782 3HD2 LEU 98 3HD2 LEU 98 22.649 -1.512 -0.603 783 H GLU 99 H GLU 99 21.228 -4.004 -1.095 784 HA GLU 99 HA GLU 99 20.148 -6.248 0.208 785 1HB GLU 99 2HB GLU 99 22.546 -5.984 -1.609 786 2HB GLU 99 1HB GLU 99 21.895 -7.525 -1.071 787 1HG GLU 99 2HG GLU 99 19.673 -6.309 -2.062 788 2HG GLU 99 1HG GLU 99 20.932 -5.685 -3.128 Start of MODEL 12 1 1H ARG 1 1H ARG 1 12.702 12.529 3.833 2 2H ARG 1 2H ARG 1 12.807 10.834 3.586 3 3H ARG 1 3H ARG 1 11.720 11.469 4.753 4 HA ARG 1 HA ARG 1 10.328 12.344 3.171 5 1HB ARG 1 2HB ARG 1 12.759 12.063 1.469 6 2HB ARG 1 1HB ARG 1 11.192 11.968 0.678 7 1HG ARG 1 2HG ARG 1 11.440 14.192 0.515 8 2HG ARG 1 1HG ARG 1 10.830 14.177 2.170 9 1HD ARG 1 2HD ARG 1 12.833 14.732 3.055 10 2HD ARG 1 1HD ARG 1 13.736 13.791 1.868 11 HE ARG 1 HE ARG 1 12.769 15.883 0.434 12 1HH1 ARG 1 1HH1 ARG 1 14.633 15.625 3.372 13 2HH1 ARG 1 2HH1 ARG 1 15.466 17.123 3.123 14 1HH2 ARG 1 1HH2 ARG 1 13.863 17.854 0.104 15 2HH2 ARG 1 2HH2 ARG 1 15.028 18.389 1.268 16 H ASP 2 H ASP 2 9.188 10.527 3.926 17 HA ASP 2 HA ASP 2 9.659 7.880 3.090 18 1HB ASP 2 2HB ASP 2 7.013 9.068 3.945 19 2HB ASP 2 1HB ASP 2 7.479 7.371 4.004 20 H SER 3 H SER 3 7.632 10.452 1.777 21 HA SER 3 HA SER 3 6.229 8.957 -0.123 22 1HB SER 3 2HB SER 3 6.236 11.265 -1.374 23 2HB SER 3 1HB SER 3 5.382 11.101 0.159 24 HG SER 3 HG SER 3 7.114 12.889 -0.331 25 H GLY 4 H GLY 4 6.679 8.246 -2.148 26 1HA GLY 4 2HA GLY 4 7.872 7.836 -4.083 27 2HA GLY 4 1HA GLY 4 8.906 9.194 -3.672 28 H THR 5 H THR 5 10.779 8.122 -4.264 29 HA THR 5 HA THR 5 11.632 5.589 -3.660 30 HB THR 5 HB THR 5 13.474 7.967 -3.429 31 HG1 THR 5 1HG THR 5 12.922 8.486 -5.369 32 1HG2 THR 5 1HG2 THR 5 14.654 6.126 -5.053 33 2HG2 THR 5 2HG2 THR 5 13.821 5.114 -3.872 34 3HG2 THR 5 3HG2 THR 5 14.974 6.335 -3.330 35 H VAL 6 H VAL 6 12.411 4.509 -2.018 36 HA VAL 6 HA VAL 6 12.750 5.891 0.546 37 HB VAL 6 HB VAL 6 10.583 4.406 0.066 38 1HG1 VAL 6 1HG1 VAL 6 11.892 2.469 -0.518 39 2HG1 VAL 6 2HG1 VAL 6 10.817 2.171 0.851 40 3HG1 VAL 6 3HG1 VAL 6 12.543 2.417 1.119 41 1HG2 VAL 6 1HG2 VAL 6 10.539 3.878 2.544 42 2HG2 VAL 6 2HG2 VAL 6 10.793 5.571 2.124 43 3HG2 VAL 6 3HG2 VAL 6 12.157 4.572 2.629 44 H TRP 7 H TRP 7 14.326 5.050 1.915 45 HA TRP 7 HA TRP 7 16.131 3.102 0.648 46 1HB TRP 7 2HB TRP 7 16.752 5.328 2.600 47 2HB TRP 7 1HB TRP 7 17.928 4.164 1.993 48 HD1 TRP 7 HD TRP 7 15.816 7.154 0.834 49 HE1 TRP 7 1HE TRP 7 16.809 8.050 -1.365 50 HE3 TRP 7 3HE TRP 7 19.308 3.523 -0.003 51 HZ2 TRP 7 2HZ TRP 7 18.820 7.315 -3.208 52 HZ3 TRP 7 3HZ TRP 7 20.732 3.692 -2.007 53 HH2 TRP 7 HH TRP 7 20.489 5.549 -3.575 54 H GLY 8 H GLY 8 16.454 1.213 1.626 55 1HA GLY 8 2HA GLY 8 16.058 1.034 4.534 56 2HA GLY 8 1HA GLY 8 15.021 0.035 3.538 57 H ALA 9 H ALA 9 16.286 -1.473 5.151 58 HA ALA 9 HA ALA 9 18.634 -2.481 3.679 59 1HB ALA 9 1HB ALA 9 19.580 -3.242 5.802 60 2HB ALA 9 2HB ALA 9 18.241 -2.486 6.666 61 3HB ALA 9 3HB ALA 9 19.382 -1.491 5.761 62 H LEU 10 H LEU 10 18.619 -4.564 3.141 63 HA LEU 10 HA LEU 10 16.292 -6.080 3.160 64 1HB LEU 10 2HB LEU 10 18.576 -6.331 1.867 65 2HB LEU 10 1HB LEU 10 18.962 -7.433 3.173 66 HG LEU 10 HG LEU 10 16.515 -8.375 2.389 67 1HD1 LEU 10 1HD1 LEU 10 17.141 -8.537 -0.213 68 2HD1 LEU 10 2HD1 LEU 10 17.735 -6.914 0.134 69 3HD1 LEU 10 3HD1 LEU 10 16.049 -7.321 0.447 70 1HD2 LEU 10 1HD2 LEU 10 17.880 -10.083 1.128 71 2HD2 LEU 10 2HD2 LEU 10 18.328 -9.819 2.813 72 3HD2 LEU 10 3HD2 LEU 10 19.295 -9.108 1.522 73 H GLY 11 H GLY 11 15.342 -7.446 4.533 74 1HA GLY 11 2HA GLY 11 15.184 -8.959 6.311 75 2HA GLY 11 1HA GLY 11 16.826 -8.547 6.779 76 H HIS 12 H HIS 12 15.505 -5.610 6.358 77 HA HIS 12 HA HIS 12 14.658 -5.482 9.168 78 1HB HIS 12 2HB HIS 12 16.372 -3.997 9.189 79 2HB HIS 12 1HB HIS 12 16.331 -3.778 7.445 80 HD1 HIS 12 1HD HIS 12 14.969 -1.863 6.523 81 HD2 HIS 12 2HD HIS 12 14.841 -2.144 10.660 82 HE1 HIS 12 1HE HIS 12 14.027 0.339 7.316 83 HE2 HIS 12 2HE HIS 12 14.043 0.175 9.832 84 H GLY 13 H GLY 13 13.050 -3.671 9.600 85 1HA GLY 13 2HA GLY 13 10.719 -4.166 8.024 86 2HA GLY 13 1HA GLY 13 10.851 -3.014 9.347 87 H ILE 14 H ILE 14 9.323 -1.996 7.639 88 HA ILE 14 HA ILE 14 10.351 0.351 6.727 89 HB ILE 14 HB ILE 14 11.783 -0.982 5.203 90 1HG1 ILE 14 2HG1 ILE 14 10.652 0.220 3.034 91 2HG1 ILE 14 1HG1 ILE 14 9.916 1.120 4.355 92 1HG2 ILE 14 1HG2 ILE 14 10.331 -1.762 3.099 93 2HG2 ILE 14 2HG2 ILE 14 9.180 -2.087 4.390 94 3HG2 ILE 14 3HG2 ILE 14 10.774 -2.836 4.423 95 1HD1 ILE 14 1HD1 ILE 14 12.192 1.865 3.287 96 2HD1 ILE 14 2HD1 ILE 14 12.852 0.679 4.413 97 3HD1 ILE 14 3HD1 ILE 14 11.896 2.034 5.017 98 H ASP 15 H ASP 15 8.725 1.672 6.097 99 HA ASP 15 HA ASP 15 6.165 0.396 5.384 100 1HB ASP 15 2HB ASP 15 6.626 1.722 7.709 101 2HB ASP 15 1HB ASP 15 6.059 3.043 6.692 102 H LEU 16 H LEU 16 5.159 1.107 3.610 103 HA LEU 16 HA LEU 16 6.436 3.223 2.054 104 1HB LEU 16 2HB LEU 16 4.746 0.895 1.495 105 2HB LEU 16 1HB LEU 16 4.262 2.312 0.597 106 HG LEU 16 HG LEU 16 5.862 1.969 -0.911 107 1HD1 LEU 16 1HD1 LEU 16 7.816 1.779 1.373 108 2HD1 LEU 16 2HD1 LEU 16 7.506 3.169 0.330 109 3HD1 LEU 16 3HD1 LEU 16 8.268 1.724 -0.330 110 1HD2 LEU 16 1HD2 LEU 16 5.277 -0.406 -0.229 111 2HD2 LEU 16 2HD2 LEU 16 6.823 -0.426 0.615 112 3HD2 LEU 16 3HD2 LEU 16 6.774 -0.173 -1.129 113 H ASP 17 H ASP 17 5.804 5.236 2.538 114 HA ASP 17 HA ASP 17 3.087 5.711 3.461 115 1HB ASP 17 2HB ASP 17 5.493 7.522 3.283 116 2HB ASP 17 1HB ASP 17 3.911 8.039 3.861 117 H ILE 18 H ILE 18 1.515 6.362 2.225 118 HA ILE 18 HA ILE 18 1.933 7.082 -0.530 119 HB ILE 18 HB ILE 18 -0.600 6.999 1.107 120 1HG1 ILE 18 2HG1 ILE 18 0.920 4.950 -0.440 121 2HG1 ILE 18 1HG1 ILE 18 0.120 4.792 1.108 122 1HG2 ILE 18 1HG2 ILE 18 -0.387 6.868 -1.887 123 2HG2 ILE 18 2HG2 ILE 18 -0.616 8.386 -1.019 124 3HG2 ILE 18 3HG2 ILE 18 -1.826 7.110 -0.898 125 1HD1 ILE 18 1HD1 ILE 18 -1.115 4.775 -1.606 126 2HD1 ILE 18 2HD1 ILE 18 -2.062 5.030 -0.138 127 3HD1 ILE 18 3HD1 ILE 18 -1.162 3.529 -0.358 128 HA PRO 19 HA PRO 19 2.301 11.464 0.425 129 1HB PRO 19 2HB PRO 19 1.826 11.719 -2.492 130 2HB PRO 19 1HB PRO 19 3.148 12.353 -1.506 131 1HG PRO 19 2HG PRO 19 3.541 10.283 -3.133 132 2HG PRO 19 1HG PRO 19 4.309 10.343 -1.535 133 1HD PRO 19 2HD PRO 19 1.908 8.798 -2.428 134 2HD PRO 19 1HD PRO 19 3.233 8.297 -1.360 135 H ASN 20 H ASN 20 0.799 12.816 1.083 136 HA ASN 20 HA ASN 20 -1.279 13.645 1.552 137 1HB ASN 20 2HB ASN 20 -0.342 14.661 -0.731 138 2HB ASN 20 1HB ASN 20 -1.817 13.929 -1.355 139 1HD2 ASN 20 1HD2 ASN 20 -0.830 15.785 1.509 140 2HD2 ASN 20 2HD2 ASN 20 -2.157 16.890 1.457 141 H PHE 21 H PHE 21 -1.889 11.248 2.079 142 HA PHE 21 HA PHE 21 -4.404 10.737 0.702 143 1HB PHE 21 2HB PHE 21 -3.177 9.130 -0.395 144 2HB PHE 21 1HB PHE 21 -2.095 8.861 0.962 145 HD1 PHE 21 1HD PHE 21 -5.686 8.468 0.075 146 HD2 PHE 21 2HD PHE 21 -2.303 6.905 2.099 147 HE1 PHE 21 1HE PHE 21 -6.999 6.482 0.724 148 HE2 PHE 21 2HE PHE 21 -3.594 4.910 2.748 149 HZ PHE 21 HZ PHE 21 -5.950 4.698 2.058 150 H GLN 22 H GLN 22 -5.973 9.695 1.983 151 HA GLN 22 HA GLN 22 -5.313 9.110 4.760 152 1HB GLN 22 2HB GLN 22 -7.036 11.372 3.850 153 2HB GLN 22 1HB GLN 22 -7.500 10.502 5.306 154 1HG GLN 22 2HG GLN 22 -5.850 11.397 6.522 155 2HG GLN 22 1HG GLN 22 -4.679 11.279 5.208 156 1HE2 GLN 22 1HE2 GLN 22 -7.253 13.201 6.587 157 2HE2 GLN 22 2HE2 GLN 22 -6.836 14.679 5.797 158 H MET 23 H MET 23 -6.142 7.174 5.137 159 HA MET 23 HA MET 23 -8.278 6.108 3.534 160 1HB MET 23 2HB MET 23 -6.330 4.763 4.373 161 2HB MET 23 1HB MET 23 -7.005 4.894 5.990 162 1HG MET 23 2HG MET 23 -8.850 3.894 3.935 163 2HG MET 23 1HG MET 23 -7.478 2.849 4.300 164 1HE MET 23 1HE MET 23 -8.349 0.768 5.915 165 2HE MET 23 2HE MET 23 -9.505 1.276 4.685 166 3HE MET 23 3HE MET 23 -10.053 0.956 6.330 167 H THR 24 H THR 24 -9.956 7.615 4.087 168 HA THR 24 HA THR 24 -11.069 7.261 6.786 169 HB THR 24 HB THR 24 -12.533 9.288 5.768 170 HG1 THR 24 1HG THR 24 -11.633 10.012 4.035 171 1HG2 THR 24 1HG2 THR 24 -10.932 9.167 7.821 172 2HG2 THR 24 2HG2 THR 24 -11.391 10.725 7.131 173 3HG2 THR 24 3HG2 THR 24 -9.821 10.019 6.747 174 H ASP 25 H ASP 25 -13.647 7.828 6.522 175 HA ASP 25 HA ASP 25 -14.799 5.489 5.537 176 1HB ASP 25 2HB ASP 25 -16.961 6.612 5.871 177 2HB ASP 25 1HB ASP 25 -15.879 6.887 7.232 178 H ASP 26 H ASP 26 -14.226 8.576 3.994 179 HA ASP 26 HA ASP 26 -15.906 8.238 1.758 180 1HB ASP 26 2HB ASP 26 -13.555 9.957 2.405 181 2HB ASP 26 1HB ASP 26 -14.050 9.831 0.720 182 H ILE 27 H ILE 27 -12.838 6.871 2.575 183 HA ILE 27 HA ILE 27 -12.126 6.160 -0.115 184 HB ILE 27 HB ILE 27 -10.993 5.362 2.567 185 1HG1 ILE 27 2HG1 ILE 27 -10.634 7.703 1.986 186 2HG1 ILE 27 1HG1 ILE 27 -9.125 6.818 1.869 187 1HG2 ILE 27 1HG2 ILE 27 -9.897 4.739 -0.171 188 2HG2 ILE 27 2HG2 ILE 27 -10.599 3.573 0.951 189 3HG2 ILE 27 3HG2 ILE 27 -9.103 4.406 1.366 190 1HD1 ILE 27 1HD1 ILE 27 -8.978 7.961 -0.066 191 2HD1 ILE 27 2HD1 ILE 27 -10.728 8.120 -0.231 192 3HD1 ILE 27 3HD1 ILE 27 -9.935 6.605 -0.662 193 H ASP 28 H ASP 28 -12.790 4.293 -1.187 194 HA ASP 28 HA ASP 28 -14.261 2.309 0.382 195 1HB ASP 28 2HB ASP 28 -15.078 3.660 -1.820 196 2HB ASP 28 1HB ASP 28 -14.416 2.210 -2.563 197 H GLU 29 H GLU 29 -11.673 2.649 -2.049 198 HA GLU 29 HA GLU 29 -10.803 -0.032 -1.240 199 1HB GLU 29 2HB GLU 29 -10.919 0.696 -4.165 200 2HB GLU 29 1HB GLU 29 -10.495 -0.853 -3.457 201 1HG GLU 29 2HG GLU 29 -12.896 -0.701 -2.449 202 2HG GLU 29 1HG GLU 29 -13.158 0.411 -3.795 203 H VAL 30 H VAL 30 -8.670 -0.544 -1.613 204 HA VAL 30 HA VAL 30 -6.852 1.556 -2.512 205 HB VAL 30 HB VAL 30 -6.521 0.252 0.195 206 1HG1 VAL 30 1HG1 VAL 30 -4.813 1.917 -1.517 207 2HG1 VAL 30 2HG1 VAL 30 -4.381 0.794 -0.229 208 3HG1 VAL 30 3HG1 VAL 30 -4.904 2.430 0.168 209 1HG2 VAL 30 1HG2 VAL 30 -8.252 1.729 0.595 210 2HG2 VAL 30 2HG2 VAL 30 -7.691 2.881 -0.616 211 3HG2 VAL 30 3HG2 VAL 30 -6.838 2.732 0.921 212 H ARG 31 H ARG 31 -5.516 0.579 -3.921 213 HA ARG 31 HA ARG 31 -4.852 -2.255 -3.454 214 1HB ARG 31 2HB ARG 31 -4.513 -1.097 -6.168 215 2HB ARG 31 1HB ARG 31 -5.020 -2.708 -5.687 216 1HG ARG 31 2HG ARG 31 -7.193 -1.576 -4.915 217 2HG ARG 31 1HG ARG 31 -6.656 -0.213 -5.899 218 1HD ARG 31 2HD ARG 31 -7.214 -3.030 -6.803 219 2HD ARG 31 1HD ARG 31 -8.089 -1.566 -7.246 220 HE ARG 31 HE ARG 31 -5.309 -1.514 -7.972 221 1HH1 ARG 31 1HH1 ARG 31 -8.504 -2.505 -8.963 222 2HH1 ARG 31 2HH1 ARG 31 -8.118 -2.502 -10.652 223 1HH2 ARG 31 1HH2 ARG 31 -4.799 -1.509 -10.192 224 2HH2 ARG 31 2HH2 ARG 31 -6.015 -1.938 -11.350 225 H TRP 32 H TRP 32 -2.801 -2.881 -3.333 226 HA TRP 32 HA TRP 32 -0.688 -0.883 -3.811 227 1HB TRP 32 2HB TRP 32 -0.914 -3.143 -1.831 228 2HB TRP 32 1HB TRP 32 0.656 -2.501 -2.288 229 HD1 TRP 32 HD TRP 32 -2.493 -1.592 -0.317 230 HE1 TRP 32 1HE TRP 32 -1.979 0.458 1.154 231 HE3 TRP 32 3HE TRP 32 2.134 -0.430 -2.141 232 HZ2 TRP 32 2HZ TRP 32 0.118 2.331 1.491 233 HZ3 TRP 32 3HZ TRP 32 3.325 1.507 -1.198 234 HH2 TRP 32 HH TRP 32 2.339 2.854 0.582 235 H GLU 33 H GLU 33 -0.632 -1.439 -6.053 236 HA GLU 33 HA GLU 33 0.179 -4.180 -6.672 237 1HB GLU 33 2HB GLU 33 -0.577 -1.927 -8.536 238 2HB GLU 33 1HB GLU 33 -0.252 -3.589 -9.008 239 1HG GLU 33 2HG GLU 33 -2.186 -4.377 -7.884 240 2HG GLU 33 1HG GLU 33 -2.443 -2.817 -7.103 241 H ARG 34 H ARG 34 2.005 -4.715 -7.781 242 HA ARG 34 HA ARG 34 4.004 -2.631 -8.274 243 1HB ARG 34 2HB ARG 34 4.356 -3.763 -6.014 244 2HB ARG 34 1HB ARG 34 4.703 -5.234 -6.912 245 1HG ARG 34 2HG ARG 34 6.383 -3.562 -8.155 246 2HG ARG 34 1HG ARG 34 6.323 -2.794 -6.567 247 1HD ARG 34 2HD ARG 34 7.444 -4.474 -5.572 248 2HD ARG 34 1HD ARG 34 6.624 -5.715 -6.518 249 HE ARG 34 HE ARG 34 9.145 -4.467 -7.108 250 1HH1 ARG 34 1HH1 ARG 34 6.401 -6.149 -8.458 251 2HH1 ARG 34 2HH1 ARG 34 7.272 -6.719 -9.840 252 1HH2 ARG 34 1HH2 ARG 34 10.292 -5.216 -8.927 253 2HH2 ARG 34 2HH2 ARG 34 9.482 -6.190 -10.107 254 H GLY 35 H GLY 35 4.556 -2.802 -10.357 255 1HA GLY 35 2HA GLY 35 5.006 -3.726 -12.420 256 2HA GLY 35 1HA GLY 35 5.561 -5.137 -11.537 257 H SER 36 H SER 36 4.538 -6.935 -11.968 258 HA SER 36 HA SER 36 1.750 -6.791 -12.916 259 1HB SER 36 2HB SER 36 4.077 -8.421 -13.839 260 2HB SER 36 1HB SER 36 2.469 -9.142 -13.926 261 HG SER 36 HG SER 36 1.832 -7.577 -15.318 262 H THR 37 H THR 37 2.252 -6.875 -10.198 263 HA THR 37 HA THR 37 1.003 -9.401 -9.502 264 HB THR 37 HB THR 37 3.658 -8.555 -8.330 265 HG1 THR 37 1HG THR 37 2.946 -10.937 -9.686 266 1HG2 THR 37 1HG2 THR 37 1.868 -10.835 -7.529 267 2HG2 THR 37 2HG2 THR 37 2.364 -9.465 -6.533 268 3HG2 THR 37 3HG2 THR 37 3.554 -10.660 -7.046 269 H LEU 38 H LEU 38 0.197 -9.429 -7.274 270 HA LEU 38 HA LEU 38 -0.444 -6.706 -6.347 271 1HB LEU 38 2HB LEU 38 -1.919 -9.253 -6.367 272 2HB LEU 38 1HB LEU 38 -2.005 -8.390 -4.854 273 HG LEU 38 HG LEU 38 -2.858 -7.306 -7.540 274 1HD1 LEU 38 1HD1 LEU 38 -4.992 -7.273 -5.812 275 2HD1 LEU 38 2HD1 LEU 38 -4.188 -8.794 -5.418 276 3HD1 LEU 38 3HD1 LEU 38 -4.704 -8.471 -7.074 277 1HD2 LEU 38 1HD2 LEU 38 -2.809 -6.073 -4.790 278 2HD2 LEU 38 2HD2 LEU 38 -3.763 -5.441 -6.131 279 3HD2 LEU 38 3HD2 LEU 38 -2.004 -5.491 -6.247 280 H VAL 39 H VAL 39 -0.176 -6.142 -4.185 281 HA VAL 39 HA VAL 39 1.522 -7.978 -2.639 282 HB VAL 39 HB VAL 39 1.629 -4.969 -2.840 283 1HG1 VAL 39 1HG1 VAL 39 1.810 -5.502 -0.503 284 2HG1 VAL 39 2HG1 VAL 39 3.406 -5.068 -1.118 285 3HG1 VAL 39 3HG1 VAL 39 2.998 -6.761 -0.840 286 1HG2 VAL 39 1HG2 VAL 39 3.625 -5.238 -3.925 287 2HG2 VAL 39 2HG2 VAL 39 2.871 -6.765 -4.386 288 3HG2 VAL 39 3HG2 VAL 39 4.021 -6.717 -3.049 289 H ALA 40 H ALA 40 -0.939 -5.449 -2.491 290 HA ALA 40 HA ALA 40 -2.320 -6.771 -0.379 291 1HB ALA 40 1HB ALA 40 -0.914 -4.202 0.328 292 2HB ALA 40 2HB ALA 40 -0.545 -5.804 0.967 293 3HB ALA 40 3HB ALA 40 -2.092 -5.042 1.337 294 H GLU 41 H GLU 41 -4.316 -6.520 -1.101 295 HA GLU 41 HA GLU 41 -5.162 -3.845 -1.996 296 1HB GLU 41 2HB GLU 41 -5.320 -6.343 -3.348 297 2HB GLU 41 1HB GLU 41 -6.960 -5.846 -2.953 298 1HG GLU 41 2HG GLU 41 -6.633 -3.737 -4.074 299 2HG GLU 41 1HG GLU 41 -4.945 -4.137 -4.385 300 H PHE 42 H PHE 42 -6.531 -2.881 -0.689 301 HA PHE 42 HA PHE 42 -8.137 -4.518 1.146 302 1HB PHE 42 2HB PHE 42 -6.726 -2.953 2.305 303 2HB PHE 42 1HB PHE 42 -7.266 -1.627 1.283 304 HD1 PHE 42 1HD PHE 42 -8.086 -3.771 4.118 305 HD2 PHE 42 2HD PHE 42 -9.444 -0.613 1.607 306 HE1 PHE 42 1HE PHE 42 -9.858 -3.247 5.743 307 HE2 PHE 42 2HE PHE 42 -11.218 -0.083 3.229 308 HZ PHE 42 HZ PHE 42 -11.426 -1.400 5.300 309 H LYS 43 H LYS 43 -10.336 -3.838 1.597 310 HA LYS 43 HA LYS 43 -11.624 -2.097 -0.331 311 1HB LYS 43 2HB LYS 43 -11.438 -4.567 -1.202 312 2HB LYS 43 1HB LYS 43 -12.765 -4.852 -0.085 313 1HG LYS 43 2HG LYS 43 -14.208 -3.436 -1.255 314 2HG LYS 43 1HG LYS 43 -12.884 -2.663 -2.127 315 1HD LYS 43 2HD LYS 43 -13.582 -5.574 -2.451 316 2HD LYS 43 1HD LYS 43 -14.278 -4.301 -3.456 317 1HE LYS 43 2HE LYS 43 -11.644 -3.707 -3.635 318 2HE LYS 43 1HE LYS 43 -11.573 -5.460 -3.464 319 1HZ LYS 43 1HZ LYS 43 -13.462 -4.303 -5.389 320 2HZ LYS 43 2HZ LYS 43 -12.652 -5.787 -5.437 321 3HZ LYS 43 3HZ LYS 43 -11.821 -4.360 -5.799 322 H ARG 44 H ARG 44 -13.612 -1.332 0.359 323 HA ARG 44 HA ARG 44 -14.062 -1.169 3.095 324 1HB ARG 44 2HB ARG 44 -14.937 0.269 1.076 325 2HB ARG 44 1HB ARG 44 -16.323 -0.797 1.217 326 1HG ARG 44 2HG ARG 44 -17.106 0.607 2.744 327 2HG ARG 44 1HG ARG 44 -15.849 -0.011 3.815 328 1HD ARG 44 2HD ARG 44 -15.473 2.307 1.928 329 2HD ARG 44 1HD ARG 44 -15.924 2.480 3.623 330 HE ARG 44 HE ARG 44 -13.320 1.860 2.574 331 1HH1 ARG 44 1HH1 ARG 44 -15.418 1.614 5.353 332 2HH1 ARG 44 2HH1 ARG 44 -14.113 1.479 6.483 333 1HH2 ARG 44 1HH2 ARG 44 -11.603 1.686 4.059 334 2HH2 ARG 44 2HH2 ARG 44 -11.946 1.520 5.748 335 H LYS 45 H LYS 45 -14.138 -3.094 3.965 336 HA LYS 45 HA LYS 45 -15.251 -4.787 5.059 337 1HB LYS 45 2HB LYS 45 -17.361 -3.387 4.120 338 2HB LYS 45 1HB LYS 45 -17.559 -4.877 3.208 339 1HG LYS 45 2HG LYS 45 -17.195 -4.873 6.186 340 2HG LYS 45 1HG LYS 45 -18.779 -4.694 5.428 341 1HD LYS 45 2HD LYS 45 -18.806 -6.848 4.658 342 2HD LYS 45 1HD LYS 45 -17.047 -6.940 4.535 343 1HE LYS 45 2HE LYS 45 -18.729 -7.102 7.030 344 2HE LYS 45 1HE LYS 45 -17.742 -8.376 6.316 345 1HZ LYS 45 1HZ LYS 45 -16.893 -5.995 7.819 346 2HZ LYS 45 2HZ LYS 45 -15.838 -6.684 6.690 347 3HZ LYS 45 3HZ LYS 45 -16.400 -7.606 7.992 348 H MET 46 H MET 46 -15.628 -4.804 1.525 349 HA MET 46 HA MET 46 -15.798 -7.505 1.053 350 1HB MET 46 2HB MET 46 -14.643 -5.230 -0.489 351 2HB MET 46 1HB MET 46 -14.329 -6.862 -1.062 352 1HG MET 46 2HG MET 46 -16.238 -6.579 -2.185 353 2HG MET 46 1HG MET 46 -16.992 -6.990 -0.646 354 1HE MET 46 1HE MET 46 -18.450 -4.301 0.850 355 2HE MET 46 2HE MET 46 -18.448 -6.000 0.379 356 3HE MET 46 3HE MET 46 -19.466 -4.848 -0.485 357 H LYS 47 H LYS 47 -14.369 -9.198 0.765 358 HA LYS 47 HA LYS 47 -12.173 -9.354 2.463 359 1HB LYS 47 2HB LYS 47 -13.196 -11.019 0.211 360 2HB LYS 47 1HB LYS 47 -11.587 -11.358 0.834 361 1HG LYS 47 2HG LYS 47 -14.076 -11.265 2.523 362 2HG LYS 47 1HG LYS 47 -13.377 -12.738 1.848 363 1HD LYS 47 2HD LYS 47 -11.692 -12.779 3.349 364 2HD LYS 47 1HD LYS 47 -11.508 -11.024 3.342 365 1HE LYS 47 2HE LYS 47 -12.386 -11.172 5.409 366 2HE LYS 47 1HE LYS 47 -13.917 -11.263 4.539 367 1HZ LYS 47 1HZ LYS 47 -13.913 -13.032 6.067 368 2HZ LYS 47 2HZ LYS 47 -12.335 -13.496 5.672 369 3HZ LYS 47 3HZ LYS 47 -13.590 -13.743 4.565 370 HA PRO 48 HA PRO 48 -9.121 -7.311 -0.089 371 1HB PRO 48 2HB PRO 48 -7.133 -7.248 1.689 372 2HB PRO 48 1HB PRO 48 -8.588 -6.270 1.914 373 1HG PRO 48 2HG PRO 48 -7.817 -8.845 3.216 374 2HG PRO 48 1HG PRO 48 -8.610 -7.424 3.920 375 1HD PRO 48 2HD PRO 48 -9.909 -9.732 3.080 376 2HD PRO 48 1HD PRO 48 -10.680 -8.151 3.313 377 H PHE 49 H PHE 49 -6.493 -7.763 -0.123 378 HA PHE 49 HA PHE 49 -6.058 -10.634 -0.478 379 1HB PHE 49 2HB PHE 49 -6.658 -9.904 -2.686 380 2HB PHE 49 1HB PHE 49 -5.582 -8.516 -2.581 381 HD1 PHE 49 1HD PHE 49 -5.714 -12.183 -2.905 382 HD2 PHE 49 2HD PHE 49 -3.252 -8.711 -3.048 383 HE1 PHE 49 1HE PHE 49 -3.892 -13.515 -3.887 384 HE2 PHE 49 2HE PHE 49 -1.434 -10.032 -4.030 385 HZ PHE 49 HZ PHE 49 -1.747 -12.440 -4.448 386 H LEU 50 H LEU 50 -4.495 -10.937 1.014 387 HA LEU 50 HA LEU 50 -2.276 -9.041 1.147 388 1HB LEU 50 2HB LEU 50 -3.508 -10.988 3.000 389 2HB LEU 50 1HB LEU 50 -1.764 -10.859 3.096 390 HG LEU 50 HG LEU 50 -3.767 -8.646 3.524 391 1HD1 LEU 50 1HD1 LEU 50 -3.688 -9.900 5.481 392 2HD1 LEU 50 2HD1 LEU 50 -2.510 -8.618 5.766 393 3HD1 LEU 50 3HD1 LEU 50 -1.964 -10.233 5.312 394 1HD2 LEU 50 1HD2 LEU 50 -2.134 -7.339 2.700 395 2HD2 LEU 50 2HD2 LEU 50 -0.897 -8.579 2.895 396 3HD2 LEU 50 3HD2 LEU 50 -1.391 -7.600 4.279 397 H LYS 51 H LYS 51 -0.683 -9.492 -0.270 398 HA LYS 51 HA LYS 51 -0.226 -11.764 -1.693 399 1HB LYS 51 2HB LYS 51 0.963 -9.691 -2.118 400 2HB LYS 51 1HB LYS 51 1.856 -9.858 -0.614 401 1HG LYS 51 2HG LYS 51 2.838 -11.965 -1.523 402 2HG LYS 51 1HG LYS 51 2.063 -11.592 -3.063 403 1HD LYS 51 2HD LYS 51 3.669 -9.427 -1.862 404 2HD LYS 51 1HD LYS 51 4.569 -10.835 -2.427 405 1HE LYS 51 2HE LYS 51 2.885 -10.431 -4.511 406 2HE LYS 51 1HE LYS 51 3.115 -8.777 -3.946 407 1HZ LYS 51 1HZ LYS 51 4.876 -8.960 -5.345 408 2HZ LYS 51 2HZ LYS 51 5.050 -10.627 -5.120 409 3HZ LYS 51 3HZ LYS 51 5.616 -9.552 -3.943 410 H SER 52 H SER 52 0.941 -11.089 1.577 411 HA SER 52 HA SER 52 1.027 -13.786 2.322 412 1HB SER 52 2HB SER 52 3.485 -14.120 2.487 413 2HB SER 52 1HB SER 52 2.930 -13.982 0.819 414 HG SER 52 HG SER 52 3.525 -11.691 1.032 415 H GLY 53 H GLY 53 2.071 -14.112 4.454 416 1HA GLY 53 2HA GLY 53 1.276 -12.174 6.273 417 2HA GLY 53 1HA GLY 53 2.373 -13.475 6.693 418 H ALA 54 H ALA 54 4.065 -12.057 4.305 419 HA ALA 54 HA ALA 54 5.768 -10.688 6.135 420 1HB ALA 54 1HB ALA 54 6.200 -11.951 3.798 421 2HB ALA 54 2HB ALA 54 7.327 -10.800 4.516 422 3HB ALA 54 3HB ALA 54 6.210 -10.272 3.258 423 H PHE 55 H PHE 55 2.940 -9.686 4.856 424 HA PHE 55 HA PHE 55 3.789 -6.875 4.948 425 1HB PHE 55 2HB PHE 55 1.728 -7.997 3.049 426 2HB PHE 55 1HB PHE 55 2.217 -6.317 3.173 427 HD1 PHE 55 1HD PHE 55 4.606 -5.725 2.651 428 HD2 PHE 55 2HD PHE 55 2.872 -9.471 1.633 429 HE1 PHE 55 1HE PHE 55 6.369 -6.077 0.977 430 HE2 PHE 55 2HE PHE 55 4.638 -9.839 -0.041 431 HZ PHE 55 HZ PHE 55 6.391 -8.139 -0.372 432 H GLU 56 H GLU 56 2.146 -5.377 5.552 433 HA GLU 56 HA GLU 56 -0.310 -6.407 6.691 434 1HB GLU 56 2HB GLU 56 1.994 -5.467 8.323 435 2HB GLU 56 1HB GLU 56 0.393 -4.943 8.823 436 1HG GLU 56 2HG GLU 56 0.632 -7.806 8.227 437 2HG GLU 56 1HG GLU 56 1.573 -7.242 9.607 438 H ILE 57 H ILE 57 -1.816 -5.068 5.982 439 HA ILE 57 HA ILE 57 -1.172 -2.453 5.015 440 HB ILE 57 HB ILE 57 -2.892 -3.830 3.930 441 1HG1 ILE 57 2HG1 ILE 57 -4.303 -1.413 5.014 442 2HG1 ILE 57 1HG1 ILE 57 -2.863 -1.226 4.018 443 1HG2 ILE 57 1HG2 ILE 57 -4.528 -4.836 5.040 444 2HG2 ILE 57 2HG2 ILE 57 -5.092 -3.300 5.697 445 3HG2 ILE 57 3HG2 ILE 57 -3.841 -4.213 6.540 446 1HD1 ILE 57 1HD1 ILE 57 -4.827 -3.041 2.872 447 2HD1 ILE 57 2HD1 ILE 57 -3.974 -1.680 2.145 448 3HD1 ILE 57 3HD1 ILE 57 -5.429 -1.401 3.102 449 H LEU 58 H LEU 58 -0.538 -1.091 6.612 450 HA LEU 58 HA LEU 58 -1.416 -0.850 9.189 451 1HB LEU 58 2HB LEU 58 0.042 0.762 7.327 452 2HB LEU 58 1HB LEU 58 -1.045 1.794 8.236 453 HG LEU 58 HG LEU 58 -0.045 1.171 10.311 454 1HD1 LEU 58 1HD1 LEU 58 0.315 -1.140 10.131 455 2HD1 LEU 58 2HD1 LEU 58 1.926 -0.439 10.280 456 3HD1 LEU 58 3HD1 LEU 58 1.333 -0.957 8.703 457 1HD2 LEU 58 1HD2 LEU 58 2.513 1.496 9.537 458 2HD2 LEU 58 2HD2 LEU 58 1.341 2.811 9.625 459 3HD2 LEU 58 3HD2 LEU 58 1.674 2.029 8.080 460 H ALA 59 H ALA 59 -2.710 1.010 10.131 461 HA ALA 59 HA ALA 59 -5.394 0.788 9.257 462 1HB ALA 59 1HB ALA 59 -4.380 1.309 11.617 463 2HB ALA 59 2HB ALA 59 -5.966 1.933 11.160 464 3HB ALA 59 3HB ALA 59 -4.551 2.983 11.086 465 H ASN 60 H ASN 60 -2.857 3.032 8.509 466 HA ASN 60 HA ASN 60 -4.748 4.937 7.350 467 1HB ASN 60 2HB ASN 60 -2.811 6.407 7.067 468 2HB ASN 60 1HB ASN 60 -2.931 5.844 8.730 469 1HD2 ASN 60 1HD2 ASN 60 -1.503 4.162 9.417 470 2HD2 ASN 60 2HD2 ASN 60 0.031 3.960 8.648 471 H GLY 61 H GLY 61 -4.437 2.331 6.141 472 1HA GLY 61 2HA GLY 61 -4.199 1.397 4.056 473 2HA GLY 61 1HA GLY 61 -4.311 3.040 3.444 474 H ASP 62 H ASP 62 -1.786 1.872 5.587 475 HA ASP 62 HA ASP 62 0.171 2.472 3.485 476 1HB ASP 62 2HB ASP 62 0.085 3.202 6.166 477 2HB ASP 62 1HB ASP 62 1.279 1.910 6.124 478 H LEU 63 H LEU 63 2.164 1.106 3.466 479 HA LEU 63 HA LEU 63 1.394 -1.751 3.710 480 1HB LEU 63 2HB LEU 63 2.079 -0.721 1.461 481 2HB LEU 63 1HB LEU 63 3.704 -0.653 2.118 482 HG LEU 63 HG LEU 63 3.400 -3.188 2.547 483 1HD1 LEU 63 1HD1 LEU 63 1.539 -3.035 0.219 484 2HD1 LEU 63 2HD1 LEU 63 0.900 -2.914 1.860 485 3HD1 LEU 63 3HD1 LEU 63 1.800 -4.351 1.369 486 1HD2 LEU 63 1HD2 LEU 63 3.879 -1.820 -0.069 487 2HD2 LEU 63 2HD2 LEU 63 3.959 -3.577 0.053 488 3HD2 LEU 63 3HD2 LEU 63 5.036 -2.575 1.026 489 H LYS 64 H LYS 64 2.299 -2.857 5.339 490 HA LYS 64 HA LYS 64 4.815 -1.839 6.474 491 1HB LYS 64 2HB LYS 64 2.486 -2.290 7.777 492 2HB LYS 64 1HB LYS 64 3.261 -3.855 7.981 493 1HG LYS 64 2HG LYS 64 4.889 -1.455 8.567 494 2HG LYS 64 1HG LYS 64 3.593 -1.857 9.695 495 1HD LYS 64 2HD LYS 64 5.435 -4.020 8.802 496 2HD LYS 64 1HD LYS 64 6.017 -2.850 9.988 497 1HE LYS 64 2HE LYS 64 3.369 -4.174 10.384 498 2HE LYS 64 1HE LYS 64 4.849 -5.048 10.776 499 1HZ LYS 64 1HZ LYS 64 5.406 -3.520 12.417 500 2HZ LYS 64 2HZ LYS 64 3.736 -3.699 12.611 501 3HZ LYS 64 3HZ LYS 64 4.354 -2.333 11.828 502 H ILE 65 H ILE 65 6.531 -2.900 5.742 503 HA ILE 65 HA ILE 65 6.311 -5.700 4.937 504 HB ILE 65 HB ILE 65 8.867 -4.141 4.853 505 1HG1 ILE 65 2HG1 ILE 65 6.521 -3.854 2.957 506 2HG1 ILE 65 1HG1 ILE 65 7.305 -2.586 3.892 507 1HG2 ILE 65 1HG2 ILE 65 8.598 -5.577 2.532 508 2HG2 ILE 65 2HG2 ILE 65 7.794 -6.601 3.721 509 3HG2 ILE 65 3HG2 ILE 65 9.466 -6.099 3.973 510 1HD1 ILE 65 1HD1 ILE 65 7.892 -3.483 1.260 511 2HD1 ILE 65 2HD1 ILE 65 9.296 -3.772 2.288 512 3HD1 ILE 65 3HD1 ILE 65 8.609 -2.153 2.170 513 H LYS 66 H LYS 66 7.207 -7.393 6.049 514 HA LYS 66 HA LYS 66 8.046 -6.890 8.750 515 1HB LYS 66 2HB LYS 66 7.784 -9.172 9.141 516 2HB LYS 66 1HB LYS 66 6.564 -8.815 7.929 517 1HG LYS 66 2HG LYS 66 7.939 -9.761 6.194 518 2HG LYS 66 1HG LYS 66 9.267 -10.000 7.332 519 1HD LYS 66 2HD LYS 66 6.692 -11.207 8.102 520 2HD LYS 66 1HD LYS 66 7.475 -11.912 6.686 521 1HE LYS 66 2HE LYS 66 8.392 -13.164 8.388 522 2HE LYS 66 1HE LYS 66 9.598 -11.891 8.198 523 1HZ LYS 66 1HZ LYS 66 7.399 -11.593 10.140 524 2HZ LYS 66 2HZ LYS 66 8.918 -10.848 10.130 525 3HZ LYS 66 3HZ LYS 66 8.782 -12.483 10.542 526 H ASN 67 H ASN 67 9.544 -8.261 5.888 527 HA ASN 67 HA ASN 67 12.163 -7.532 6.919 528 1HB ASN 67 2HB ASN 67 11.184 -10.240 6.863 529 2HB ASN 67 1HB ASN 67 12.534 -10.077 5.745 530 1HD2 ASN 67 1HD2 ASN 67 11.928 -8.394 8.788 531 2HD2 ASN 67 2HD2 ASN 67 13.347 -8.966 9.591 532 H LEU 68 H LEU 68 12.971 -6.302 5.378 533 HA LEU 68 HA LEU 68 12.088 -6.091 2.780 534 1HB LEU 68 2HB LEU 68 14.665 -5.368 4.121 535 2HB LEU 68 1HB LEU 68 14.438 -5.086 2.408 536 HG LEU 68 HG LEU 68 12.308 -4.079 4.181 537 1HD1 LEU 68 1HD1 LEU 68 15.037 -2.804 4.064 538 2HD1 LEU 68 2HD1 LEU 68 14.256 -3.480 5.491 539 3HD1 LEU 68 3HD1 LEU 68 13.587 -2.047 4.719 540 1HD2 LEU 68 1HD2 LEU 68 12.098 -2.419 2.568 541 2HD2 LEU 68 2HD2 LEU 68 12.518 -3.861 1.646 542 3HD2 LEU 68 3HD2 LEU 68 13.747 -2.644 1.988 543 H THR 69 H THR 69 12.779 -6.825 0.818 544 HA THR 69 HA THR 69 14.837 -8.888 0.712 545 HB THR 69 HB THR 69 13.170 -10.276 -0.717 546 HG1 THR 69 1HG THR 69 11.373 -8.770 0.875 547 1HG2 THR 69 1HG2 THR 69 12.820 -10.124 2.265 548 2HG2 THR 69 2HG2 THR 69 14.006 -11.100 1.396 549 3HG2 THR 69 3HG2 THR 69 12.285 -11.448 1.231 550 H ARG 70 H ARG 70 15.474 -9.441 -1.482 551 HA ARG 70 HA ARG 70 15.991 -7.255 -3.088 552 1HB ARG 70 2HB ARG 70 16.242 -9.079 -4.951 553 2HB ARG 70 1HB ARG 70 17.345 -9.050 -3.585 554 1HG ARG 70 2HG ARG 70 16.757 -11.099 -2.984 555 2HG ARG 70 1HG ARG 70 15.048 -10.666 -2.973 556 1HD ARG 70 2HD ARG 70 14.685 -11.508 -5.039 557 2HD ARG 70 1HD ARG 70 16.267 -11.006 -5.634 558 HE ARG 70 HE ARG 70 15.565 -13.565 -4.629 559 1HH1 ARG 70 1HH1 ARG 70 18.187 -11.265 -4.736 560 2HH1 ARG 70 2HH1 ARG 70 19.419 -12.472 -4.571 561 1HH2 ARG 70 1HH2 ARG 70 17.183 -15.154 -4.412 562 2HH2 ARG 70 2HH2 ARG 70 18.848 -14.680 -4.387 563 H ASP 71 H ASP 71 13.509 -9.746 -3.729 564 HA ASP 71 HA ASP 71 12.394 -8.625 -5.981 565 1HB ASP 71 2HB ASP 71 10.294 -9.844 -5.179 566 2HB ASP 71 1HB ASP 71 11.735 -10.812 -5.433 567 H ASP 72 H ASP 72 12.159 -7.581 -2.690 568 HA ASP 72 HA ASP 72 9.740 -6.081 -3.015 569 1HB ASP 72 2HB ASP 72 11.105 -6.969 -0.843 570 2HB ASP 72 1HB ASP 72 11.600 -5.277 -0.867 571 H SER 73 H SER 73 12.970 -5.572 -3.944 572 HA SER 73 HA SER 73 12.933 -2.698 -3.770 573 1HB SER 73 2HB SER 73 14.995 -4.304 -3.766 574 2HB SER 73 1HB SER 73 14.828 -4.239 -5.520 575 HG SER 73 HG SER 73 16.194 -2.591 -4.271 576 H GLY 74 H GLY 74 11.887 -1.404 -5.142 577 1HA GLY 74 2HA GLY 74 12.056 -1.348 -7.861 578 2HA GLY 74 1HA GLY 74 10.728 -2.455 -7.540 579 H THR 75 H THR 75 9.128 -1.093 -8.419 580 HA THR 75 HA THR 75 8.670 1.432 -6.930 581 HB THR 75 HB THR 75 8.321 0.686 -9.814 582 HG1 THR 75 1HG THR 75 9.477 2.474 -10.111 583 1HG2 THR 75 1HG2 THR 75 6.926 2.611 -10.243 584 2HG2 THR 75 2HG2 THR 75 6.808 2.937 -8.515 585 3HG2 THR 75 3HG2 THR 75 6.096 1.470 -9.187 586 H TYR 76 H TYR 76 6.813 1.625 -5.838 587 HA TYR 76 HA TYR 76 4.801 -0.498 -6.152 588 1HB TYR 76 2HB TYR 76 5.509 1.264 -3.803 589 2HB TYR 76 1HB TYR 76 4.051 0.278 -3.848 590 HD1 TYR 76 1HD TYR 76 4.133 -1.886 -3.013 591 HD2 TYR 76 2HD TYR 76 7.753 -0.019 -4.245 592 HE1 TYR 76 1HE TYR 76 5.413 -3.812 -2.165 593 HE2 TYR 76 2HE TYR 76 9.036 -1.934 -3.407 594 HH TYR 76 HH TYR 76 8.885 -4.085 -2.669 595 H ASN 77 H ASN 77 2.815 -0.001 -6.856 596 HA ASN 77 HA ASN 77 2.144 2.853 -7.140 597 1HB ASN 77 2HB ASN 77 2.048 0.627 -8.988 598 2HB ASN 77 1HB ASN 77 0.462 1.373 -8.827 599 1HD2 ASN 77 1HD2 ASN 77 2.230 1.349 -11.111 600 2HD2 ASN 77 2HD2 ASN 77 2.567 3.001 -11.487 601 H VAL 78 H VAL 78 0.487 3.602 -5.980 602 HA VAL 78 HA VAL 78 -1.403 1.649 -4.861 603 HB VAL 78 HB VAL 78 -1.560 4.393 -3.809 604 1HG1 VAL 78 1HG1 VAL 78 -1.165 2.234 -1.924 605 2HG1 VAL 78 2HG1 VAL 78 -2.416 1.857 -3.107 606 3HG1 VAL 78 3HG1 VAL 78 -2.542 3.317 -2.133 607 1HG2 VAL 78 1HG2 VAL 78 0.419 3.648 -2.190 608 2HG2 VAL 78 2HG2 VAL 78 0.698 4.607 -3.645 609 3HG2 VAL 78 3HG2 VAL 78 0.984 2.867 -3.671 610 H THR 79 H THR 79 -3.517 1.740 -5.318 611 HA THR 79 HA THR 79 -4.486 4.014 -6.919 612 HB THR 79 HB THR 79 -5.999 1.546 -7.291 613 HG1 THR 79 1HG THR 79 -4.417 0.242 -7.646 614 1HG2 THR 79 1HG2 THR 79 -6.209 2.251 -9.411 615 2HG2 THR 79 2HG2 THR 79 -4.521 2.748 -9.532 616 3HG2 THR 79 3HG2 THR 79 -5.692 3.789 -8.719 617 H VAL 80 H VAL 80 -5.449 5.158 -5.320 618 HA VAL 80 HA VAL 80 -7.180 3.847 -3.390 619 HB VAL 80 HB VAL 80 -6.456 6.761 -3.762 620 1HG1 VAL 80 1HG1 VAL 80 -7.507 7.172 -1.615 621 2HG1 VAL 80 2HG1 VAL 80 -7.993 5.479 -1.508 622 3HG1 VAL 80 3HG1 VAL 80 -8.680 6.516 -2.757 623 1HG2 VAL 80 1HG2 VAL 80 -5.640 5.496 -1.283 624 2HG2 VAL 80 2HG2 VAL 80 -4.687 6.414 -2.448 625 3HG2 VAL 80 3HG2 VAL 80 -4.950 4.687 -2.690 626 H TYR 81 H TYR 81 -9.319 3.662 -3.554 627 HA TYR 81 HA TYR 81 -10.684 5.198 -5.666 628 1HB TYR 81 2HB TYR 81 -11.319 2.486 -4.550 629 2HB TYR 81 1HB TYR 81 -12.437 3.386 -5.538 630 HD1 TYR 81 1HD TYR 81 -12.601 1.755 -7.251 631 HD2 TYR 81 2HD TYR 81 -8.799 3.349 -6.211 632 HE1 TYR 81 1HE TYR 81 -11.638 0.795 -9.301 633 HE2 TYR 81 2HE TYR 81 -7.829 2.402 -8.253 634 HH TYR 81 HH TYR 81 -9.479 0.118 -10.180 635 H SER 82 H SER 82 -12.753 5.917 -5.298 636 HA SER 82 HA SER 82 -13.279 6.700 -2.542 637 1HB SER 82 2HB SER 82 -15.211 7.857 -4.219 638 2HB SER 82 1HB SER 82 -13.795 8.633 -3.514 639 HG SER 82 HG SER 82 -12.622 7.919 -5.382 640 H THR 83 H THR 83 -15.760 6.971 -2.116 641 HA THR 83 HA THR 83 -16.848 4.360 -1.942 642 HB THR 83 HB THR 83 -18.952 5.747 -1.233 643 HG1 THR 83 1HG THR 83 -17.983 7.701 -2.176 644 1HG2 THR 83 1HG2 THR 83 -18.275 5.685 0.923 645 2HG2 THR 83 2HG2 THR 83 -16.686 6.360 0.564 646 3HG2 THR 83 3HG2 THR 83 -17.023 4.664 0.220 647 H ASN 84 H ASN 84 -16.994 6.757 -4.383 648 HA ASN 84 HA ASN 84 -19.465 5.737 -5.528 649 1HB ASN 84 2HB ASN 84 -18.628 8.216 -5.499 650 2HB ASN 84 1HB ASN 84 -17.687 7.720 -6.902 651 1HD2 ASN 84 1HD2 ASN 84 -18.662 7.543 -8.828 652 2HD2 ASN 84 2HD2 ASN 84 -20.349 7.795 -9.102 653 H GLY 85 H GLY 85 -16.630 4.355 -5.399 654 1HA GLY 85 2HA GLY 85 -15.677 2.694 -6.680 655 2HA GLY 85 1HA GLY 85 -16.980 2.911 -7.839 656 H THR 86 H THR 86 -15.031 5.623 -6.900 657 HA THR 86 HA THR 86 -13.882 5.675 -9.602 658 HB THR 86 HB THR 86 -13.455 8.100 -8.091 659 HG1 THR 86 1HG THR 86 -15.582 8.674 -7.763 660 1HG2 THR 86 1HG2 THR 86 -15.421 8.357 -10.156 661 2HG2 THR 86 2HG2 THR 86 -14.067 7.375 -10.716 662 3HG2 THR 86 3HG2 THR 86 -13.779 8.996 -10.081 663 H ARG 87 H ARG 87 -11.772 7.359 -9.260 664 HA ARG 87 HA ARG 87 -10.013 5.876 -7.417 665 1HB ARG 87 2HB ARG 87 -9.019 7.175 -9.938 666 2HB ARG 87 1HB ARG 87 -8.262 5.911 -8.978 667 1HG ARG 87 2HG ARG 87 -9.878 4.298 -9.735 668 2HG ARG 87 1HG ARG 87 -10.782 5.552 -10.586 669 1HD ARG 87 2HD ARG 87 -8.365 5.910 -11.694 670 2HD ARG 87 1HD ARG 87 -8.260 4.191 -11.318 671 HE ARG 87 HE ARG 87 -9.881 5.427 -13.338 672 1HH1 ARG 87 1HH1 ARG 87 -9.562 2.652 -11.246 673 2HH1 ARG 87 2HH1 ARG 87 -10.506 1.619 -12.266 674 1HH2 ARG 87 1HH2 ARG 87 -11.124 4.070 -14.680 675 2HH2 ARG 87 2HH2 ARG 87 -11.393 2.424 -14.215 676 H ILE 88 H ILE 88 -9.903 7.244 -5.721 677 HA ILE 88 HA ILE 88 -9.939 10.029 -5.794 678 HB ILE 88 HB ILE 88 -8.686 8.204 -3.741 679 1HG1 ILE 88 2HG1 ILE 88 -11.116 7.896 -4.125 680 2HG1 ILE 88 1HG1 ILE 88 -10.758 8.503 -2.511 681 1HG2 ILE 88 1HG2 ILE 88 -9.510 10.604 -2.540 682 2HG2 ILE 88 2HG2 ILE 88 -8.589 11.061 -3.972 683 3HG2 ILE 88 3HG2 ILE 88 -7.863 10.014 -2.753 684 1HD1 ILE 88 1HD1 ILE 88 -11.140 10.820 -3.845 685 2HD1 ILE 88 2HD1 ILE 88 -12.401 9.952 -2.968 686 3HD1 ILE 88 3HD1 ILE 88 -12.238 9.748 -4.713 687 H LEU 89 H LEU 89 -7.067 7.967 -5.225 688 HA LEU 89 HA LEU 89 -5.471 9.877 -6.752 689 1HB LEU 89 2HB LEU 89 -5.019 10.832 -4.719 690 2HB LEU 89 1HB LEU 89 -5.233 9.332 -3.840 691 HG LEU 89 HG LEU 89 -2.861 9.622 -5.636 692 1HD1 LEU 89 1HD1 LEU 89 -3.348 11.090 -3.100 693 2HD1 LEU 89 2HD1 LEU 89 -2.426 11.567 -4.526 694 3HD1 LEU 89 3HD1 LEU 89 -1.744 10.412 -3.380 695 1HD2 LEU 89 1HD2 LEU 89 -3.688 7.993 -3.293 696 2HD2 LEU 89 2HD2 LEU 89 -1.973 8.349 -3.493 697 3HD2 LEU 89 3HD2 LEU 89 -2.853 7.511 -4.769 698 H ASN 90 H ASN 90 -3.750 9.042 -7.777 699 HA ASN 90 HA ASN 90 -3.137 6.189 -7.363 700 1HB ASN 90 2HB ASN 90 -4.348 6.532 -9.490 701 2HB ASN 90 1HB ASN 90 -3.139 7.711 -9.985 702 1HD2 ASN 90 1HD2 ASN 90 -3.194 4.412 -8.669 703 2HD2 ASN 90 2HD2 ASN 90 -2.046 3.767 -9.787 704 H LYS 91 H LYS 91 -1.202 6.152 -6.370 705 HA LYS 91 HA LYS 91 0.845 8.056 -7.324 706 1HB LYS 91 2HB LYS 91 0.464 6.925 -4.555 707 2HB LYS 91 1HB LYS 91 1.837 7.900 -5.047 708 1HG LYS 91 2HG LYS 91 -0.947 8.928 -5.380 709 2HG LYS 91 1HG LYS 91 -0.136 9.009 -3.815 710 1HD LYS 91 2HD LYS 91 0.507 11.027 -4.663 711 2HD LYS 91 1HD LYS 91 1.813 10.026 -5.301 712 1HE LYS 91 2HE LYS 91 -0.521 10.069 -7.037 713 2HE LYS 91 1HE LYS 91 0.150 11.675 -6.764 714 1HZ LYS 91 1HZ LYS 91 1.990 11.194 -7.926 715 2HZ LYS 91 2HZ LYS 91 1.047 9.969 -8.613 716 3HZ LYS 91 3HZ LYS 91 2.097 9.610 -7.338 717 H ALA 92 H ALA 92 3.065 7.411 -7.088 718 HA ALA 92 HA ALA 92 3.567 4.529 -7.079 719 1HB ALA 92 1HB ALA 92 3.302 5.747 -9.442 720 2HB ALA 92 2HB ALA 92 4.439 4.425 -9.170 721 3HB ALA 92 3HB ALA 92 5.003 6.095 -9.137 722 H LEU 93 H LEU 93 5.200 4.112 -5.730 723 HA LEU 93 HA LEU 93 7.199 6.230 -5.263 724 1HB LEU 93 2HB LEU 93 6.624 4.136 -3.213 725 2HB LEU 93 1HB LEU 93 7.263 5.755 -2.999 726 HG LEU 93 HG LEU 93 4.922 6.572 -3.679 727 1HD1 LEU 93 1HD1 LEU 93 4.521 3.649 -3.499 728 2HD1 LEU 93 2HD1 LEU 93 3.684 4.855 -4.479 729 3HD1 LEU 93 3HD1 LEU 93 3.280 4.671 -2.771 730 1HD2 LEU 93 1HD2 LEU 93 5.073 5.058 -1.086 731 2HD2 LEU 93 2HD2 LEU 93 4.201 6.551 -1.430 732 3HD2 LEU 93 3HD2 LEU 93 5.964 6.552 -1.373 733 H ASP 94 H ASP 94 9.326 5.449 -4.539 734 HA ASP 94 HA ASP 94 10.021 2.934 -5.895 735 1HB ASP 94 2HB ASP 94 11.372 5.560 -5.641 736 2HB ASP 94 1HB ASP 94 12.415 4.143 -5.554 737 H LEU 95 H LEU 95 11.354 1.433 -4.860 738 HA LEU 95 HA LEU 95 11.961 1.952 -2.035 739 1HB LEU 95 2HB LEU 95 9.833 0.416 -2.801 740 2HB LEU 95 1HB LEU 95 11.096 -0.791 -2.651 741 HG LEU 95 HG LEU 95 10.127 1.079 -0.498 742 1HD1 LEU 95 1HD1 LEU 95 8.689 -0.537 -0.046 743 2HD1 LEU 95 2HD1 LEU 95 10.048 -1.607 0.297 744 3HD1 LEU 95 3HD1 LEU 95 9.359 -1.549 -1.324 745 1HD2 LEU 95 1HD2 LEU 95 12.220 -1.056 -0.196 746 2HD2 LEU 95 2HD2 LEU 95 11.759 0.203 0.952 747 3HD2 LEU 95 3HD2 LEU 95 12.622 0.631 -0.523 748 H ARG 96 H ARG 96 14.080 1.599 -1.705 749 HA ARG 96 HA ARG 96 15.385 -0.521 -3.282 750 1HB ARG 96 2HB ARG 96 17.502 0.999 -2.642 751 2HB ARG 96 1HB ARG 96 16.584 1.191 -4.128 752 1HG ARG 96 2HG ARG 96 15.237 2.952 -2.967 753 2HG ARG 96 1HG ARG 96 16.355 2.826 -1.609 754 1HD ARG 96 2HD ARG 96 16.634 4.278 -4.082 755 2HD ARG 96 1HD ARG 96 17.614 4.354 -2.624 756 HE ARG 96 HE ARG 96 18.668 2.216 -3.667 757 1HH1 ARG 96 1HH1 ARG 96 17.623 5.079 -5.380 758 2HH1 ARG 96 2HH1 ARG 96 18.762 4.870 -6.666 759 1HH2 ARG 96 1HH2 ARG 96 20.162 1.950 -5.356 760 2HH2 ARG 96 2HH2 ARG 96 20.201 3.098 -6.653 761 H ILE 97 H ILE 97 16.196 -2.130 -2.181 762 HA ILE 97 HA ILE 97 16.496 -1.863 0.725 763 HB ILE 97 HB ILE 97 16.378 -4.394 -0.911 764 1HG1 ILE 97 2HG1 ILE 97 14.056 -4.316 0.519 765 2HG1 ILE 97 1HG1 ILE 97 14.271 -2.613 0.123 766 1HG2 ILE 97 1HG2 ILE 97 17.513 -4.610 1.248 767 2HG2 ILE 97 2HG2 ILE 97 15.986 -5.493 1.222 768 3HG2 ILE 97 3HG2 ILE 97 16.094 -3.943 2.056 769 1HD1 ILE 97 1HD1 ILE 97 12.887 -3.892 -1.495 770 2HD1 ILE 97 2HD1 ILE 97 14.326 -4.824 -1.910 771 3HD1 ILE 97 3HD1 ILE 97 14.284 -3.087 -2.209 772 H LEU 98 H LEU 98 18.538 -1.244 1.184 773 HA LEU 98 HA LEU 98 20.820 -1.908 -0.286 774 1HB LEU 98 2HB LEU 98 20.146 -0.602 2.265 775 2HB LEU 98 1HB LEU 98 21.736 -1.315 2.196 776 HG LEU 98 HG LEU 98 20.682 0.689 0.216 777 1HD1 LEU 98 1HD1 LEU 98 21.180 1.341 2.726 778 2HD1 LEU 98 2HD1 LEU 98 21.658 2.386 1.387 779 3HD1 LEU 98 3HD1 LEU 98 22.847 1.328 2.148 780 1HD2 LEU 98 1HD2 LEU 98 22.694 -1.103 -0.151 781 2HD2 LEU 98 2HD2 LEU 98 23.571 0.276 0.511 782 3HD2 LEU 98 3HD2 LEU 98 22.591 0.469 -0.943 783 H GLU 99 H GLU 99 21.953 -3.712 -0.323 784 HA GLU 99 HA GLU 99 21.203 -6.024 1.110 785 1HB GLU 99 2HB GLU 99 23.730 -5.430 -0.439 786 2HB GLU 99 1HB GLU 99 23.261 -7.023 0.138 787 1HG GLU 99 2HG GLU 99 21.046 -6.339 -1.229 788 2HG GLU 99 1HG GLU 99 22.271 -5.469 -2.151 Start of MODEL 13 1 1H ARG 1 1H ARG 1 11.597 15.651 -7.730 2 2H ARG 1 2H ARG 1 11.297 14.572 -6.429 3 3H ARG 1 3H ARG 1 11.996 16.111 -6.128 4 HA ARG 1 HA ARG 1 9.782 16.249 -5.499 5 1HB ARG 1 2HB ARG 1 9.993 17.420 -8.276 6 2HB ARG 1 1HB ARG 1 9.046 18.036 -6.929 7 1HG ARG 1 2HG ARG 1 11.461 18.122 -5.804 8 2HG ARG 1 1HG ARG 1 11.935 18.290 -7.496 9 1HD ARG 1 2HD ARG 1 10.929 20.322 -7.721 10 2HD ARG 1 1HD ARG 1 9.676 19.954 -6.536 11 HE ARG 1 HE ARG 1 12.238 20.182 -5.316 12 1HH1 ARG 1 1HH1 ARG 1 9.594 22.059 -6.609 13 2HH1 ARG 1 2HH1 ARG 1 9.926 23.439 -5.619 14 1HH2 ARG 1 1HH2 ARG 1 12.674 21.997 -4.013 15 2HH2 ARG 1 2HH2 ARG 1 11.675 23.405 -4.145 16 H ASP 2 H ASP 2 7.504 16.099 -6.047 17 HA ASP 2 HA ASP 2 5.659 14.996 -6.786 18 1HB ASP 2 2HB ASP 2 7.398 15.101 -9.178 19 2HB ASP 2 1HB ASP 2 6.114 13.896 -9.219 20 H SER 3 H SER 3 8.042 12.943 -8.426 21 HA SER 3 HA SER 3 6.926 10.614 -7.107 22 1HB SER 3 2HB SER 3 8.554 9.377 -8.599 23 2HB SER 3 1HB SER 3 7.357 10.354 -9.449 24 HG SER 3 HG SER 3 9.452 10.671 -10.292 25 H GLY 4 H GLY 4 7.588 10.519 -5.015 26 1HA GLY 4 2HA GLY 4 10.245 11.163 -4.184 27 2HA GLY 4 1HA GLY 4 9.006 10.396 -3.202 28 H THR 5 H THR 5 11.699 9.672 -3.077 29 HA THR 5 HA THR 5 11.522 6.900 -4.019 30 HB THR 5 HB THR 5 13.955 8.679 -4.278 31 HG1 THR 5 1HG THR 5 12.310 7.431 -6.221 32 1HG2 THR 5 1HG2 THR 5 15.211 6.866 -4.305 33 2HG2 THR 5 2HG2 THR 5 14.306 6.297 -5.707 34 3HG2 THR 5 3HG2 THR 5 13.795 5.838 -4.082 35 H VAL 6 H VAL 6 11.657 5.590 -2.319 36 HA VAL 6 HA VAL 6 12.900 6.526 0.108 37 HB VAL 6 HB VAL 6 11.832 4.400 0.962 38 1HG1 VAL 6 1HG1 VAL 6 10.951 6.511 1.595 39 2HG1 VAL 6 2HG1 VAL 6 9.587 5.504 1.111 40 3HG1 VAL 6 3HG1 VAL 6 10.215 6.729 0.007 41 1HG2 VAL 6 1HG2 VAL 6 11.245 4.030 -1.714 42 2HG2 VAL 6 2HG2 VAL 6 9.712 4.383 -0.920 43 3HG2 VAL 6 3HG2 VAL 6 10.725 3.058 -0.345 44 H TRP 7 H TRP 7 13.725 4.564 1.433 45 HA TRP 7 HA TRP 7 15.359 2.717 -0.111 46 1HB TRP 7 2HB TRP 7 16.500 4.809 1.748 47 2HB TRP 7 1HB TRP 7 17.402 3.393 1.223 48 HD1 TRP 7 HD TRP 7 15.765 6.564 -0.252 49 HE1 TRP 7 1HE TRP 7 17.005 7.169 -2.424 50 HE3 TRP 7 3HE TRP 7 18.902 2.538 -0.545 51 HZ2 TRP 7 2HZ TRP 7 19.043 6.085 -4.047 52 HZ3 TRP 7 3HZ TRP 7 20.468 2.399 -2.438 53 HH2 TRP 7 HH TRP 7 20.536 4.137 -4.153 54 H GLY 8 H GLY 8 16.430 1.089 1.310 55 1HA GLY 8 2HA GLY 8 15.737 0.892 4.066 56 2HA GLY 8 1HA GLY 8 14.659 -0.085 3.088 57 H ALA 9 H ALA 9 15.962 -1.562 4.799 58 HA ALA 9 HA ALA 9 18.232 -2.692 3.297 59 1HB ALA 9 1HB ALA 9 17.812 -2.676 6.281 60 2HB ALA 9 2HB ALA 9 19.007 -1.738 5.385 61 3HB ALA 9 3HB ALA 9 19.124 -3.498 5.436 62 H LEU 10 H LEU 10 18.162 -4.802 2.793 63 HA LEU 10 HA LEU 10 15.742 -6.200 2.817 64 1HB LEU 10 2HB LEU 10 18.163 -6.542 1.615 65 2HB LEU 10 1HB LEU 10 18.190 -7.847 2.785 66 HG LEU 10 HG LEU 10 15.841 -8.430 1.802 67 1HD1 LEU 10 1HD1 LEU 10 16.210 -7.857 -0.798 68 2HD1 LEU 10 2HD1 LEU 10 16.888 -6.402 -0.067 69 3HD1 LEU 10 3HD1 LEU 10 15.226 -6.873 0.286 70 1HD2 LEU 10 1HD2 LEU 10 18.117 -9.624 1.615 71 2HD2 LEU 10 2HD2 LEU 10 18.157 -8.954 -0.015 72 3HD2 LEU 10 3HD2 LEU 10 16.845 -10.030 0.464 73 H GLY 11 H GLY 11 14.767 -7.529 4.199 74 1HA GLY 11 2HA GLY 11 14.519 -8.986 5.996 75 2HA GLY 11 1HA GLY 11 16.221 -8.768 6.374 76 H HIS 12 H HIS 12 15.103 -5.701 6.014 77 HA HIS 12 HA HIS 12 14.558 -5.502 8.889 78 1HB HIS 12 2HB HIS 12 16.290 -4.065 8.757 79 2HB HIS 12 1HB HIS 12 16.188 -3.982 7.006 80 HD1 HIS 12 1HD HIS 12 15.188 -2.174 10.095 81 HD2 HIS 12 2HD HIS 12 14.705 -1.889 5.991 82 HE1 HIS 12 1HE HIS 12 14.404 0.183 9.683 83 HE2 HIS 12 2HE HIS 12 14.235 0.372 7.173 84 H GLY 13 H GLY 13 13.113 -3.577 9.446 85 1HA GLY 13 2HA GLY 13 10.632 -3.952 8.005 86 2HA GLY 13 1HA GLY 13 10.852 -3.026 9.480 87 H ILE 14 H ILE 14 9.220 -2.120 7.432 88 HA ILE 14 HA ILE 14 10.206 0.482 7.050 89 HB ILE 14 HB ILE 14 11.657 -0.724 5.400 90 1HG1 ILE 14 2HG1 ILE 14 10.715 0.859 3.420 91 2HG1 ILE 14 1HG1 ILE 14 9.883 1.564 4.800 92 1HG2 ILE 14 1HG2 ILE 14 10.553 -1.325 3.223 93 2HG2 ILE 14 2HG2 ILE 14 9.012 -1.252 4.074 94 3HG2 ILE 14 3HG2 ILE 14 10.238 -2.419 4.569 95 1HD1 ILE 14 1HD1 ILE 14 12.167 2.507 4.110 96 2HD1 ILE 14 2HD1 ILE 14 12.828 1.066 4.885 97 3HD1 ILE 14 3HD1 ILE 14 11.859 2.208 5.820 98 H ASP 15 H ASP 15 8.579 1.860 6.531 99 HA ASP 15 HA ASP 15 6.022 0.637 5.726 100 1HB ASP 15 2HB ASP 15 6.449 1.826 8.094 101 2HB ASP 15 1HB ASP 15 6.020 3.247 7.147 102 H LEU 16 H LEU 16 5.346 1.203 3.779 103 HA LEU 16 HA LEU 16 6.526 3.442 2.386 104 1HB LEU 16 2HB LEU 16 5.015 1.059 1.702 105 2HB LEU 16 1HB LEU 16 4.379 2.458 0.872 106 HG LEU 16 HG LEU 16 5.995 2.366 -0.659 107 1HD1 LEU 16 1HD1 LEU 16 7.550 3.617 0.639 108 2HD1 LEU 16 2HD1 LEU 16 8.422 2.279 -0.106 109 3HD1 LEU 16 3HD1 LEU 16 7.980 2.199 1.599 110 1HD2 LEU 16 1HD2 LEU 16 7.583 0.270 -0.407 111 2HD2 LEU 16 2HD2 LEU 16 5.883 0.107 -0.849 112 3HD2 LEU 16 3HD2 LEU 16 6.392 -0.173 0.816 113 H ASP 17 H ASP 17 5.822 5.447 2.688 114 HA ASP 17 HA ASP 17 3.090 5.880 3.607 115 1HB ASP 17 2HB ASP 17 5.425 7.782 3.373 116 2HB ASP 17 1HB ASP 17 3.840 8.208 4.012 117 H ILE 18 H ILE 18 1.518 6.485 2.336 118 HA ILE 18 HA ILE 18 1.959 7.115 -0.434 119 HB ILE 18 HB ILE 18 -0.591 7.080 1.175 120 1HG1 ILE 18 2HG1 ILE 18 0.950 4.979 -0.280 121 2HG1 ILE 18 1HG1 ILE 18 0.131 4.875 1.263 122 1HG2 ILE 18 1HG2 ILE 18 -0.580 8.388 -1.004 123 2HG2 ILE 18 2HG2 ILE 18 -1.794 7.119 -0.844 124 3HG2 ILE 18 3HG2 ILE 18 -0.345 6.835 -1.808 125 1HD1 ILE 18 1HD1 ILE 18 -1.112 3.552 -0.205 126 2HD1 ILE 18 2HD1 ILE 18 -1.092 4.794 -1.459 127 3HD1 ILE 18 3HD1 ILE 18 -2.036 5.038 0.012 128 HA PRO 19 HA PRO 19 2.303 11.529 0.372 129 1HB PRO 19 2HB PRO 19 1.858 11.676 -2.558 130 2HB PRO 19 1HB PRO 19 3.164 12.355 -1.581 131 1HG PRO 19 2HG PRO 19 3.590 10.228 -3.125 132 2HG PRO 19 1HG PRO 19 4.337 10.352 -1.520 133 1HD PRO 19 2HD PRO 19 1.958 8.759 -2.387 134 2HD PRO 19 1HD PRO 19 3.272 8.306 -1.283 135 H ASN 20 H ASN 20 0.787 12.896 0.968 136 HA ASN 20 HA ASN 20 -1.300 13.729 1.385 137 1HB ASN 20 2HB ASN 20 -0.350 14.674 -0.918 138 2HB ASN 20 1HB ASN 20 -1.805 13.899 -1.539 139 1HD2 ASN 20 1HD2 ASN 20 -0.849 15.917 1.223 140 2HD2 ASN 20 2HD2 ASN 20 -2.204 16.983 1.129 141 H PHE 21 H PHE 21 -1.901 11.353 1.999 142 HA PHE 21 HA PHE 21 -4.402 10.772 0.629 143 1HB PHE 21 2HB PHE 21 -3.147 9.155 -0.427 144 2HB PHE 21 1HB PHE 21 -2.077 8.926 0.946 145 HD1 PHE 21 1HD PHE 21 -2.291 7.018 2.163 146 HD2 PHE 21 2HD PHE 21 -5.644 8.458 0.002 147 HE1 PHE 21 1HE PHE 21 -3.568 5.027 2.849 148 HE2 PHE 21 2HE PHE 21 -6.943 6.474 0.686 149 HZ PHE 21 HZ PHE 21 -5.902 4.754 2.107 150 H GLN 22 H GLN 22 -5.948 9.698 1.932 151 HA GLN 22 HA GLN 22 -5.272 9.315 4.752 152 1HB GLN 22 2HB GLN 22 -6.472 11.641 3.929 153 2HB GLN 22 1HB GLN 22 -7.858 10.648 4.360 154 1HG GLN 22 2HG GLN 22 -5.511 11.116 6.180 155 2HG GLN 22 1HG GLN 22 -6.973 12.101 6.188 156 1HE2 GLN 22 1HE2 GLN 22 -8.024 11.601 7.980 157 2HE2 GLN 22 2HE2 GLN 22 -8.404 10.002 8.517 158 H MET 23 H MET 23 -5.923 7.350 5.295 159 HA MET 23 HA MET 23 -7.885 5.941 3.721 160 1HB MET 23 2HB MET 23 -5.725 5.026 4.892 161 2HB MET 23 1HB MET 23 -6.776 4.887 6.295 162 1HG MET 23 2HG MET 23 -8.301 3.716 4.388 163 2HG MET 23 1HG MET 23 -6.680 3.295 3.837 164 1HE MET 23 1HE MET 23 -8.456 1.263 4.175 165 2HE MET 23 2HE MET 23 -9.324 1.227 5.711 166 3HE MET 23 3HE MET 23 -8.005 0.093 5.416 167 H THR 24 H THR 24 -9.682 7.385 4.190 168 HA THR 24 HA THR 24 -10.855 6.948 6.855 169 HB THR 24 HB THR 24 -12.149 8.969 6.505 170 HG1 THR 24 1HG THR 24 -11.893 10.173 4.608 171 1HG2 THR 24 1HG2 THR 24 -10.527 10.538 6.805 172 2HG2 THR 24 2HG2 THR 24 -9.485 9.863 5.552 173 3HG2 THR 24 3HG2 THR 24 -9.605 9.068 7.122 174 H ASP 25 H ASP 25 -13.454 7.465 6.457 175 HA ASP 25 HA ASP 25 -14.464 5.087 5.388 176 1HB ASP 25 2HB ASP 25 -15.989 7.669 5.784 177 2HB ASP 25 1HB ASP 25 -16.664 6.043 5.725 178 H ASP 26 H ASP 26 -13.877 8.198 3.924 179 HA ASP 26 HA ASP 26 -15.478 7.935 1.635 180 1HB ASP 26 2HB ASP 26 -12.839 9.393 1.903 181 2HB ASP 26 1HB ASP 26 -14.045 9.656 0.647 182 H ILE 27 H ILE 27 -12.412 6.532 2.480 183 HA ILE 27 HA ILE 27 -11.741 5.764 -0.203 184 HB ILE 27 HB ILE 27 -10.560 4.946 2.454 185 1HG1 ILE 27 2HG1 ILE 27 -10.153 7.267 2.152 186 2HG1 ILE 27 1HG1 ILE 27 -8.691 6.462 1.636 187 1HG2 ILE 27 1HG2 ILE 27 -9.500 4.498 -0.331 188 2HG2 ILE 27 2HG2 ILE 27 -10.122 3.258 0.758 189 3HG2 ILE 27 3HG2 ILE 27 -8.648 4.134 1.169 190 1HD1 ILE 27 1HD1 ILE 27 -8.931 7.955 -0.056 191 2HD1 ILE 27 2HD1 ILE 27 -10.693 7.946 0.041 192 3HD1 ILE 27 3HD1 ILE 27 -9.847 6.603 -0.725 193 H ASP 28 H ASP 28 -12.428 3.874 -1.218 194 HA ASP 28 HA ASP 28 -13.764 1.875 0.462 195 1HB ASP 28 2HB ASP 28 -14.777 3.269 -1.680 196 2HB ASP 28 1HB ASP 28 -14.287 1.747 -2.416 197 H GLU 29 H GLU 29 -11.603 2.240 -2.380 198 HA GLU 29 HA GLU 29 -10.696 -0.509 -1.792 199 1HB GLU 29 2HB GLU 29 -12.110 -0.481 -3.798 200 2HB GLU 29 1HB GLU 29 -11.044 0.702 -4.535 201 1HG GLU 29 2HG GLU 29 -9.208 -0.944 -4.441 202 2HG GLU 29 1HG GLU 29 -10.344 -2.128 -3.797 203 H VAL 30 H VAL 30 -8.647 -0.523 -1.160 204 HA VAL 30 HA VAL 30 -6.772 1.425 -2.355 205 HB VAL 30 HB VAL 30 -6.362 0.101 0.337 206 1HG1 VAL 30 1HG1 VAL 30 -4.946 2.356 0.431 207 2HG1 VAL 30 2HG1 VAL 30 -4.908 2.079 -1.310 208 3HG1 VAL 30 3HG1 VAL 30 -4.299 0.843 -0.207 209 1HG2 VAL 30 1HG2 VAL 30 -6.986 2.928 0.447 210 2HG2 VAL 30 2HG2 VAL 30 -7.669 1.587 1.366 211 3HG2 VAL 30 3HG2 VAL 30 -8.324 1.994 -0.220 212 H ARG 31 H ARG 31 -5.395 0.470 -3.744 213 HA ARG 31 HA ARG 31 -4.657 -2.332 -3.214 214 1HB ARG 31 2HB ARG 31 -4.354 -2.570 -5.664 215 2HB ARG 31 1HB ARG 31 -6.010 -2.219 -5.193 216 1HG ARG 31 2HG ARG 31 -5.460 0.217 -5.702 217 2HG ARG 31 1HG ARG 31 -4.015 -0.405 -6.503 218 1HD ARG 31 2HD ARG 31 -6.889 -1.017 -7.168 219 2HD ARG 31 1HD ARG 31 -5.730 -0.126 -8.153 220 HE ARG 31 HE ARG 31 -4.713 -2.692 -7.665 221 1HH1 ARG 31 1HH1 ARG 31 -7.297 -1.140 -9.424 222 2HH1 ARG 31 2HH1 ARG 31 -7.372 -2.367 -10.645 223 1HH2 ARG 31 1HH2 ARG 31 -4.811 -4.307 -9.269 224 2HH2 ARG 31 2HH2 ARG 31 -5.960 -4.166 -10.556 225 H TRP 32 H TRP 32 -2.606 -2.889 -3.111 226 HA TRP 32 HA TRP 32 -0.551 -0.850 -3.664 227 1HB TRP 32 2HB TRP 32 -0.703 -3.088 -1.651 228 2HB TRP 32 1HB TRP 32 0.848 -2.418 -2.136 229 HD1 TRP 32 HD TRP 32 -2.302 -1.543 -0.134 230 HE1 TRP 32 1HE TRP 32 -1.799 0.517 1.321 231 HE3 TRP 32 3HE TRP 32 2.288 -0.308 -2.026 232 HZ2 TRP 32 2HZ TRP 32 0.263 2.422 1.622 233 HZ3 TRP 32 3HZ TRP 32 3.455 1.652 -1.100 234 HH2 TRP 32 HH TRP 32 2.461 2.986 0.685 235 H GLU 33 H GLU 33 -0.490 -1.428 -5.892 236 HA GLU 33 HA GLU 33 0.287 -4.168 -6.520 237 1HB GLU 33 2HB GLU 33 -0.340 -1.867 -8.373 238 2HB GLU 33 1HB GLU 33 -0.059 -3.534 -8.858 239 1HG GLU 33 2HG GLU 33 -2.033 -4.241 -7.625 240 2HG GLU 33 1HG GLU 33 -2.311 -2.579 -7.104 241 H ARG 34 H ARG 34 2.080 -4.728 -7.711 242 HA ARG 34 HA ARG 34 4.189 -2.734 -8.070 243 1HB ARG 34 2HB ARG 34 4.645 -3.754 -5.895 244 2HB ARG 34 1HB ARG 34 4.527 -5.359 -6.600 245 1HG ARG 34 2HG ARG 34 6.450 -4.327 -8.160 246 2HG ARG 34 1HG ARG 34 6.734 -3.408 -6.679 247 1HD ARG 34 2HD ARG 34 8.067 -5.453 -6.721 248 2HD ARG 34 1HD ARG 34 6.889 -5.482 -5.410 249 HE ARG 34 HE ARG 34 6.025 -6.757 -7.854 250 1HH1 ARG 34 1HH1 ARG 34 7.600 -7.180 -4.766 251 2HH1 ARG 34 2HH1 ARG 34 7.280 -8.880 -4.697 252 1HH2 ARG 34 1HH2 ARG 34 5.608 -8.993 -7.763 253 2HH2 ARG 34 2HH2 ARG 34 6.151 -9.909 -6.398 254 H GLY 35 H GLY 35 4.647 -2.848 -10.186 255 1HA GLY 35 2HA GLY 35 5.067 -3.727 -12.275 256 2HA GLY 35 1HA GLY 35 5.627 -5.160 -11.433 257 H SER 36 H SER 36 4.577 -6.945 -11.849 258 HA SER 36 HA SER 36 1.787 -6.765 -12.781 259 1HB SER 36 2HB SER 36 3.710 -7.609 -14.369 260 2HB SER 36 1HB SER 36 3.526 -9.108 -13.461 261 HG SER 36 HG SER 36 1.301 -9.074 -14.037 262 H THR 37 H THR 37 2.303 -6.862 -10.066 263 HA THR 37 HA THR 37 1.023 -9.372 -9.369 264 HB THR 37 HB THR 37 3.714 -8.575 -8.246 265 HG1 THR 37 1HG THR 37 4.077 -9.752 -10.020 266 1HG2 THR 37 1HG2 THR 37 1.904 -10.808 -7.362 267 2HG2 THR 37 2HG2 THR 37 2.411 -9.413 -6.408 268 3HG2 THR 37 3HG2 THR 37 3.595 -10.624 -6.898 269 H LEU 38 H LEU 38 0.237 -9.398 -7.136 270 HA LEU 38 HA LEU 38 -0.375 -6.673 -6.193 271 1HB LEU 38 2HB LEU 38 -1.854 -9.218 -6.197 272 2HB LEU 38 1HB LEU 38 -1.914 -8.362 -4.678 273 HG LEU 38 HG LEU 38 -2.812 -7.264 -7.345 274 1HD1 LEU 38 1HD1 LEU 38 -4.644 -8.440 -6.854 275 2HD1 LEU 38 2HD1 LEU 38 -4.919 -7.243 -5.591 276 3HD1 LEU 38 3HD1 LEU 38 -4.105 -8.761 -5.205 277 1HD2 LEU 38 1HD2 LEU 38 -3.695 -5.407 -5.912 278 2HD2 LEU 38 2HD2 LEU 38 -1.938 -5.457 -6.054 279 3HD2 LEU 38 3HD2 LEU 38 -2.721 -6.047 -4.588 280 H VAL 39 H VAL 39 -0.073 -6.111 -4.034 281 HA VAL 39 HA VAL 39 1.647 -7.954 -2.517 282 HB VAL 39 HB VAL 39 1.740 -4.941 -2.702 283 1HG1 VAL 39 1HG1 VAL 39 3.550 -5.044 -1.020 284 2HG1 VAL 39 2HG1 VAL 39 3.168 -6.745 -0.754 285 3HG1 VAL 39 3HG1 VAL 39 1.974 -5.502 -0.376 286 1HG2 VAL 39 1HG2 VAL 39 2.931 -6.630 -4.339 287 2HG2 VAL 39 2HG2 VAL 39 4.088 -6.761 -3.013 288 3HG2 VAL 39 3HG2 VAL 39 3.778 -5.193 -3.760 289 H ALA 40 H ALA 40 -0.799 -5.414 -2.323 290 HA ALA 40 HA ALA 40 -2.170 -6.740 -0.204 291 1HB ALA 40 1HB ALA 40 -0.374 -5.794 1.130 292 2HB ALA 40 2HB ALA 40 -1.910 -5.018 1.518 293 3HB ALA 40 3HB ALA 40 -0.731 -4.186 0.501 294 H GLU 41 H GLU 41 -4.175 -6.461 -0.885 295 HA GLU 41 HA GLU 41 -5.003 -3.777 -1.771 296 1HB GLU 41 2HB GLU 41 -5.173 -6.267 -3.135 297 2HB GLU 41 1HB GLU 41 -6.811 -5.760 -2.742 298 1HG GLU 41 2HG GLU 41 -6.467 -3.648 -3.854 299 2HG GLU 41 1HG GLU 41 -4.781 -4.057 -4.164 300 H PHE 42 H PHE 42 -6.376 -2.818 -0.469 301 HA PHE 42 HA PHE 42 -7.926 -4.407 1.435 302 1HB PHE 42 2HB PHE 42 -6.719 -2.686 2.530 303 2HB PHE 42 1HB PHE 42 -7.166 -1.489 1.323 304 HD1 PHE 42 1HD PHE 42 -8.117 -3.147 4.393 305 HD2 PHE 42 2HD PHE 42 -9.465 -0.597 1.265 306 HE1 PHE 42 1HE PHE 42 -10.014 -2.439 5.792 307 HE2 PHE 42 2HE PHE 42 -11.362 0.117 2.656 308 HZ PHE 42 HZ PHE 42 -11.639 -0.804 4.925 309 H LYS 43 H LYS 43 -10.171 -4.033 1.740 310 HA LYS 43 HA LYS 43 -11.590 -2.470 -0.250 311 1HB LYS 43 2HB LYS 43 -11.104 -4.976 -0.992 312 2HB LYS 43 1HB LYS 43 -12.509 -5.290 0.016 313 1HG LYS 43 2HG LYS 43 -13.501 -4.994 -2.020 314 2HG LYS 43 1HG LYS 43 -13.567 -3.348 -1.388 315 1HD LYS 43 2HD LYS 43 -12.065 -2.571 -2.890 316 2HD LYS 43 1HD LYS 43 -11.119 -4.061 -2.870 317 1HE LYS 43 2HE LYS 43 -13.398 -4.926 -4.043 318 2HE LYS 43 1HE LYS 43 -13.357 -3.256 -4.606 319 1HZ LYS 43 1HZ LYS 43 -10.836 -3.992 -5.036 320 2HZ LYS 43 2HZ LYS 43 -12.058 -4.135 -6.197 321 3HZ LYS 43 3HZ LYS 43 -11.613 -5.478 -5.269 322 H ARG 44 H ARG 44 -13.142 -1.424 0.772 323 HA ARG 44 HA ARG 44 -13.805 -1.533 3.382 324 1HB ARG 44 2HB ARG 44 -14.619 -0.013 1.321 325 2HB ARG 44 1HB ARG 44 -16.073 -0.950 1.609 326 1HG ARG 44 2HG ARG 44 -16.601 0.496 3.197 327 2HG ARG 44 1HG ARG 44 -15.248 -0.139 4.135 328 1HD ARG 44 2HD ARG 44 -14.873 2.014 2.077 329 2HD ARG 44 1HD ARG 44 -15.348 2.390 3.731 330 HE ARG 44 HE ARG 44 -12.754 1.551 2.819 331 1HH1 ARG 44 1HH1 ARG 44 -14.910 1.720 5.558 332 2HH1 ARG 44 2HH1 ARG 44 -13.633 1.668 6.725 333 1HH2 ARG 44 1HH2 ARG 44 -11.072 1.482 4.354 334 2HH2 ARG 44 2HH2 ARG 44 -11.454 1.533 6.042 335 H LYS 45 H LYS 45 -14.057 -3.410 4.229 336 HA LYS 45 HA LYS 45 -15.285 -5.081 5.212 337 1HB LYS 45 2HB LYS 45 -17.523 -5.003 5.072 338 2HB LYS 45 1HB LYS 45 -17.279 -3.599 4.047 339 1HG LYS 45 2HG LYS 45 -17.353 -5.091 2.068 340 2HG LYS 45 1HG LYS 45 -17.725 -6.437 3.144 341 1HD LYS 45 2HD LYS 45 -19.375 -3.928 2.843 342 2HD LYS 45 1HD LYS 45 -19.745 -5.491 2.109 343 1HE LYS 45 2HE LYS 45 -20.990 -5.786 3.960 344 2HE LYS 45 1HE LYS 45 -19.446 -6.215 4.696 345 1HZ LYS 45 1HZ LYS 45 -21.015 -4.417 5.755 346 2HZ LYS 45 2HZ LYS 45 -20.220 -3.392 4.669 347 3HZ LYS 45 3HZ LYS 45 -19.331 -4.257 5.819 348 H MET 46 H MET 46 -15.408 -5.061 1.665 349 HA MET 46 HA MET 46 -15.603 -7.765 1.176 350 1HB MET 46 2HB MET 46 -14.389 -5.491 -0.303 351 2HB MET 46 1HB MET 46 -13.962 -7.110 -0.836 352 1HG MET 46 2HG MET 46 -16.608 -7.405 -0.674 353 2HG MET 46 1HG MET 46 -16.536 -5.672 -0.989 354 1HE MET 46 1HE MET 46 -17.908 -5.953 -3.058 355 2HE MET 46 2HE MET 46 -17.983 -7.713 -3.150 356 3HE MET 46 3HE MET 46 -17.419 -6.782 -4.537 357 H LYS 47 H LYS 47 -14.017 -9.373 0.592 358 HA LYS 47 HA LYS 47 -11.982 -9.637 2.542 359 1HB LYS 47 2HB LYS 47 -12.840 -11.220 0.155 360 2HB LYS 47 1HB LYS 47 -11.323 -11.614 0.952 361 1HG LYS 47 2HG LYS 47 -12.930 -11.520 3.092 362 2HG LYS 47 1HG LYS 47 -14.101 -11.999 1.860 363 1HD LYS 47 2HD LYS 47 -13.182 -14.045 1.600 364 2HD LYS 47 1HD LYS 47 -11.535 -13.442 1.795 365 1HE LYS 47 2HE LYS 47 -13.412 -13.585 4.127 366 2HE LYS 47 1HE LYS 47 -12.515 -15.009 3.600 367 1HZ LYS 47 1HZ LYS 47 -11.134 -12.457 4.141 368 2HZ LYS 47 2HZ LYS 47 -10.494 -14.022 4.115 369 3HZ LYS 47 3HZ LYS 47 -11.489 -13.536 5.394 370 HA PRO 48 HA PRO 48 -8.906 -7.281 0.219 371 1HB PRO 48 2HB PRO 48 -7.131 -7.876 2.436 372 2HB PRO 48 1HB PRO 48 -7.735 -6.317 1.888 373 1HG PRO 48 2HG PRO 48 -8.516 -7.454 4.220 374 2HG PRO 48 1HG PRO 48 -9.565 -6.390 3.266 375 1HD PRO 48 2HD PRO 48 -9.568 -9.373 3.469 376 2HD PRO 48 1HD PRO 48 -10.935 -8.244 3.365 377 H PHE 49 H PHE 49 -6.336 -7.736 0.076 378 HA PHE 49 HA PHE 49 -5.910 -10.609 -0.308 379 1HB PHE 49 2HB PHE 49 -6.546 -9.851 -2.495 380 2HB PHE 49 1HB PHE 49 -5.460 -8.469 -2.394 381 HD1 PHE 49 1HD PHE 49 -3.116 -8.689 -2.847 382 HD2 PHE 49 2HD PHE 49 -5.642 -12.117 -2.814 383 HE1 PHE 49 1HE PHE 49 -1.315 -10.015 -3.858 384 HE2 PHE 49 2HE PHE 49 -3.846 -13.450 -3.838 385 HZ PHE 49 HZ PHE 49 -1.678 -12.400 -4.359 386 H LEU 50 H LEU 50 -4.383 -10.845 1.270 387 HA LEU 50 HA LEU 50 -2.102 -9.027 1.306 388 1HB LEU 50 2HB LEU 50 -3.305 -10.967 3.197 389 2HB LEU 50 1HB LEU 50 -1.561 -10.815 3.254 390 HG LEU 50 HG LEU 50 -3.573 -8.607 3.688 391 1HD1 LEU 50 1HD1 LEU 50 -2.389 -8.541 5.933 392 2HD1 LEU 50 2HD1 LEU 50 -1.721 -10.117 5.506 393 3HD1 LEU 50 3HD1 LEU 50 -3.466 -9.908 5.640 394 1HD2 LEU 50 1HD2 LEU 50 -0.713 -8.543 3.038 395 2HD2 LEU 50 2HD2 LEU 50 -1.181 -7.574 4.437 396 3HD2 LEU 50 3HD2 LEU 50 -1.947 -7.296 2.871 397 H LYS 51 H LYS 51 -0.472 -9.509 -0.038 398 HA LYS 51 HA LYS 51 -0.117 -11.586 -1.676 399 1HB LYS 51 2HB LYS 51 1.342 -9.693 -1.749 400 2HB LYS 51 1HB LYS 51 2.060 -10.111 -0.198 401 1HG LYS 51 2HG LYS 51 3.609 -10.731 -1.876 402 2HG LYS 51 1HG LYS 51 2.893 -12.225 -1.268 403 1HD LYS 51 2HD LYS 51 1.198 -11.630 -3.298 404 2HD LYS 51 1HD LYS 51 2.712 -10.980 -3.929 405 1HE LYS 51 2HE LYS 51 2.328 -13.330 -4.584 406 2HE LYS 51 1HE LYS 51 3.800 -13.113 -3.636 407 1HZ LYS 51 1HZ LYS 51 1.343 -13.789 -2.202 408 2HZ LYS 51 2HZ LYS 51 2.941 -14.233 -1.874 409 3HZ LYS 51 3HZ LYS 51 2.084 -15.013 -3.105 410 H SER 52 H SER 52 2.327 -11.754 0.872 411 HA SER 52 HA SER 52 1.611 -14.595 1.202 412 1HB SER 52 2HB SER 52 4.392 -13.458 1.487 413 2HB SER 52 1HB SER 52 3.922 -15.155 1.376 414 HG SER 52 HG SER 52 4.414 -13.372 -0.602 415 H GLY 53 H GLY 53 0.895 -12.123 2.830 416 1HA GLY 53 2HA GLY 53 0.417 -11.841 5.072 417 2HA GLY 53 1HA GLY 53 1.194 -13.386 5.387 418 H ALA 54 H ALA 54 3.459 -11.649 3.688 419 HA ALA 54 HA ALA 54 4.920 -11.051 6.108 420 1HB ALA 54 1HB ALA 54 6.810 -10.854 4.775 421 2HB ALA 54 2HB ALA 54 5.881 -10.377 3.354 422 3HB ALA 54 3HB ALA 54 5.846 -12.051 3.909 423 H PHE 55 H PHE 55 2.563 -9.453 4.599 424 HA PHE 55 HA PHE 55 3.704 -6.812 5.214 425 1HB PHE 55 2HB PHE 55 1.608 -7.385 3.118 426 2HB PHE 55 1HB PHE 55 2.411 -5.850 3.427 427 HD1 PHE 55 1HD PHE 55 4.666 -5.458 2.687 428 HD2 PHE 55 2HD PHE 55 2.733 -9.166 1.928 429 HE1 PHE 55 1HE PHE 55 6.393 -6.008 1.027 430 HE2 PHE 55 2HE PHE 55 4.459 -9.732 0.267 431 HZ PHE 55 HZ PHE 55 6.294 -8.152 -0.185 432 H GLU 56 H GLU 56 2.156 -5.217 5.925 433 HA GLU 56 HA GLU 56 -0.388 -6.264 6.903 434 1HB GLU 56 2HB GLU 56 1.846 -5.192 8.584 435 2HB GLU 56 1HB GLU 56 0.187 -4.872 9.071 436 1HG GLU 56 2HG GLU 56 -0.264 -7.272 9.109 437 2HG GLU 56 1HG GLU 56 1.400 -7.591 8.623 438 H ILE 57 H ILE 57 -1.936 -4.930 6.281 439 HA ILE 57 HA ILE 57 -1.312 -2.318 5.275 440 HB ILE 57 HB ILE 57 -3.049 -3.736 4.239 441 1HG1 ILE 57 2HG1 ILE 57 -4.538 -1.338 5.173 442 2HG1 ILE 57 1HG1 ILE 57 -2.978 -1.069 4.402 443 1HG2 ILE 57 1HG2 ILE 57 -3.959 -4.101 6.826 444 2HG2 ILE 57 2HG2 ILE 57 -4.771 -4.611 5.346 445 3HG2 ILE 57 3HG2 ILE 57 -5.179 -3.064 6.087 446 1HD1 ILE 57 1HD1 ILE 57 -4.815 -2.898 3.006 447 2HD1 ILE 57 2HD1 ILE 57 -3.732 -1.663 2.367 448 3HD1 ILE 57 3HD1 ILE 57 -5.285 -1.199 3.063 449 H LEU 58 H LEU 58 -0.770 -0.821 6.730 450 HA LEU 58 HA LEU 58 -1.602 -0.618 9.365 451 1HB LEU 58 2HB LEU 58 -0.128 0.979 7.491 452 2HB LEU 58 1HB LEU 58 -1.189 2.015 8.425 453 HG LEU 58 HG LEU 58 -0.172 1.360 10.479 454 1HD1 LEU 58 1HD1 LEU 58 0.172 -0.933 10.351 455 2HD1 LEU 58 2HD1 LEU 58 1.811 -0.282 10.342 456 3HD1 LEU 58 3HD1 LEU 58 1.065 -0.814 8.835 457 1HD2 LEU 58 1HD2 LEU 58 1.239 2.977 9.789 458 2HD2 LEU 58 2HD2 LEU 58 1.542 2.199 8.235 459 3HD2 LEU 58 3HD2 LEU 58 2.383 1.639 9.681 460 H ALA 59 H ALA 59 -2.899 1.213 10.309 461 HA ALA 59 HA ALA 59 -5.569 1.042 9.377 462 1HB ALA 59 1HB ALA 59 -4.622 1.461 11.772 463 2HB ALA 59 2HB ALA 59 -6.169 2.161 11.296 464 3HB ALA 59 3HB ALA 59 -4.714 3.157 11.300 465 H ASN 60 H ASN 60 -2.991 3.260 8.718 466 HA ASN 60 HA ASN 60 -4.839 5.238 7.614 467 1HB ASN 60 2HB ASN 60 -2.891 6.689 7.395 468 2HB ASN 60 1HB ASN 60 -2.990 6.046 9.031 469 1HD2 ASN 60 1HD2 ASN 60 -1.572 4.310 9.606 470 2HD2 ASN 60 2HD2 ASN 60 -0.051 4.134 8.804 471 H GLY 61 H GLY 61 -4.576 2.662 6.331 472 1HA GLY 61 2HA GLY 61 -4.348 1.777 4.226 473 2HA GLY 61 1HA GLY 61 -4.452 3.437 3.658 474 H ASP 62 H ASP 62 -1.921 2.200 5.753 475 HA ASP 62 HA ASP 62 0.026 2.833 3.651 476 1HB ASP 62 2HB ASP 62 -0.032 3.513 6.339 477 2HB ASP 62 1HB ASP 62 1.137 2.199 6.275 478 H LEU 63 H LEU 63 2.115 1.452 3.873 479 HA LEU 63 HA LEU 63 1.284 -1.404 3.944 480 1HB LEU 63 2HB LEU 63 1.961 -0.388 1.717 481 2HB LEU 63 1HB LEU 63 3.580 -0.230 2.374 482 HG LEU 63 HG LEU 63 3.399 -2.781 2.816 483 1HD1 LEU 63 1HD1 LEU 63 1.901 -4.018 1.536 484 2HD1 LEU 63 2HD1 LEU 63 1.505 -2.647 0.501 485 3HD1 LEU 63 3HD1 LEU 63 0.915 -2.696 2.163 486 1HD2 LEU 63 1HD2 LEU 63 5.027 -2.258 1.315 487 2HD2 LEU 63 2HD2 LEU 63 3.942 -1.309 0.299 488 3HD2 LEU 63 3HD2 LEU 63 3.900 -3.071 0.229 489 H LYS 64 H LYS 64 2.173 -2.561 5.548 490 HA LYS 64 HA LYS 64 4.673 -1.574 6.745 491 1HB LYS 64 2HB LYS 64 2.319 -2.107 7.991 492 2HB LYS 64 1HB LYS 64 3.137 -3.653 8.171 493 1HG LYS 64 2HG LYS 64 5.121 -2.241 9.028 494 2HG LYS 64 1HG LYS 64 3.912 -0.974 9.243 495 1HD LYS 64 2HD LYS 64 2.567 -2.789 10.496 496 2HD LYS 64 1HD LYS 64 4.107 -3.647 10.586 497 1HE LYS 64 2HE LYS 64 5.115 -1.680 11.667 498 2HE LYS 64 1HE LYS 64 3.553 -0.865 11.612 499 1HZ LYS 64 1HZ LYS 64 2.674 -2.767 12.951 500 2HZ LYS 64 2HZ LYS 64 3.785 -1.782 13.761 501 3HZ LYS 64 3HZ LYS 64 4.271 -3.287 13.161 502 H ILE 65 H ILE 65 6.334 -2.570 5.764 503 HA ILE 65 HA ILE 65 6.160 -5.332 4.916 504 HB ILE 65 HB ILE 65 8.707 -3.746 4.978 505 1HG1 ILE 65 2HG1 ILE 65 6.401 -3.447 3.045 506 2HG1 ILE 65 1HG1 ILE 65 7.194 -2.191 3.982 507 1HG2 ILE 65 1HG2 ILE 65 8.535 -5.149 2.615 508 2HG2 ILE 65 2HG2 ILE 65 7.749 -6.214 3.779 509 3HG2 ILE 65 3HG2 ILE 65 9.397 -5.656 4.064 510 1HD1 ILE 65 1HD1 ILE 65 9.251 -3.196 2.483 511 2HD1 ILE 65 2HD1 ILE 65 8.313 -1.748 2.115 512 3HD1 ILE 65 3HD1 ILE 65 7.877 -3.292 1.381 513 H LYS 66 H LYS 66 6.756 -7.064 6.086 514 HA LYS 66 HA LYS 66 7.687 -6.720 8.770 515 1HB LYS 66 2HB LYS 66 6.106 -8.488 8.268 516 2HB LYS 66 1HB LYS 66 7.236 -9.213 7.133 517 1HG LYS 66 2HG LYS 66 8.658 -9.946 8.843 518 2HG LYS 66 1HG LYS 66 7.910 -8.883 10.036 519 1HD LYS 66 2HD LYS 66 5.777 -10.362 9.265 520 2HD LYS 66 1HD LYS 66 7.079 -11.538 9.077 521 1HE LYS 66 2HE LYS 66 6.341 -11.822 11.282 522 2HE LYS 66 1HE LYS 66 7.805 -10.851 11.424 523 1HZ LYS 66 1HZ LYS 66 6.639 -9.013 12.043 524 2HZ LYS 66 2HZ LYS 66 5.618 -10.201 12.680 525 3HZ LYS 66 3HZ LYS 66 5.237 -9.460 11.207 526 H ASN 67 H ASN 67 9.062 -8.065 5.838 527 HA ASN 67 HA ASN 67 11.736 -7.490 6.806 528 1HB ASN 67 2HB ASN 67 10.642 -10.138 6.867 529 2HB ASN 67 1HB ASN 67 11.917 -10.082 5.654 530 1HD2 ASN 67 1HD2 ASN 67 11.597 -8.319 8.699 531 2HD2 ASN 67 2HD2 ASN 67 13.044 -8.935 9.411 532 H LEU 68 H LEU 68 12.524 -6.286 5.204 533 HA LEU 68 HA LEU 68 11.544 -6.176 2.617 534 1HB LEU 68 2HB LEU 68 14.157 -5.363 3.839 535 2HB LEU 68 1HB LEU 68 13.834 -5.118 2.133 536 HG LEU 68 HG LEU 68 11.773 -4.134 4.000 537 1HD1 LEU 68 1HD1 LEU 68 13.047 -2.033 4.377 538 2HD1 LEU 68 2HD1 LEU 68 14.484 -2.848 3.756 539 3HD1 LEU 68 3HD1 LEU 68 13.705 -3.429 5.226 540 1HD2 LEU 68 1HD2 LEU 68 12.299 -3.900 1.321 541 2HD2 LEU 68 2HD2 LEU 68 12.837 -2.351 1.970 542 3HD2 LEU 68 3HD2 LEU 68 11.186 -2.902 2.249 543 H THR 69 H THR 69 12.381 -6.840 0.627 544 HA THR 69 HA THR 69 14.419 -8.899 0.548 545 HB THR 69 HB THR 69 12.786 -10.421 -0.744 546 HG1 THR 69 1HG THR 69 10.955 -8.830 0.723 547 1HG2 THR 69 1HG2 THR 69 12.407 -10.093 2.219 548 2HG2 THR 69 2HG2 THR 69 13.656 -11.054 1.428 549 3HG2 THR 69 3HG2 THR 69 11.959 -11.507 1.265 550 H ARG 70 H ARG 70 14.883 -9.609 -1.691 551 HA ARG 70 HA ARG 70 15.380 -7.492 -3.394 552 1HB ARG 70 2HB ARG 70 14.988 -10.380 -4.196 553 2HB ARG 70 1HB ARG 70 15.845 -9.158 -5.123 554 1HG ARG 70 2HG ARG 70 16.640 -10.251 -2.433 555 2HG ARG 70 1HG ARG 70 17.415 -10.589 -3.982 556 1HD ARG 70 2HD ARG 70 17.835 -8.099 -4.161 557 2HD ARG 70 1HD ARG 70 17.337 -7.987 -2.474 558 HE ARG 70 HE ARG 70 19.360 -8.855 -1.861 559 1HH1 ARG 70 1HH1 ARG 70 18.855 -9.488 -5.255 560 2HH1 ARG 70 2HH1 ARG 70 20.453 -10.103 -5.507 561 1HH2 ARG 70 1HH2 ARG 70 21.464 -9.664 -2.190 562 2HH2 ARG 70 2HH2 ARG 70 21.935 -10.204 -3.767 563 H ASP 71 H ASP 71 12.782 -9.911 -3.778 564 HA ASP 71 HA ASP 71 11.594 -8.751 -6.016 565 1HB ASP 71 2HB ASP 71 11.082 -11.029 -5.222 566 2HB ASP 71 1HB ASP 71 10.250 -10.349 -3.826 567 H ASP 72 H ASP 72 11.592 -7.700 -2.749 568 HA ASP 72 HA ASP 72 9.174 -6.121 -3.048 569 1HB ASP 72 2HB ASP 72 10.565 -7.207 -0.862 570 2HB ASP 72 1HB ASP 72 10.717 -5.460 -0.697 571 H SER 73 H SER 73 12.511 -5.751 -3.663 572 HA SER 73 HA SER 73 12.555 -2.886 -3.278 573 1HB SER 73 2HB SER 73 14.766 -3.589 -4.846 574 2HB SER 73 1HB SER 73 14.740 -3.354 -3.101 575 HG SER 73 HG SER 73 15.453 -5.496 -4.153 576 H GLY 74 H GLY 74 12.112 -1.362 -4.760 577 1HA GLY 74 2HA GLY 74 12.545 -1.163 -7.372 578 2HA GLY 74 1HA GLY 74 11.179 -2.267 -7.363 579 H THR 75 H THR 75 9.397 -1.081 -8.010 580 HA THR 75 HA THR 75 8.965 1.502 -6.624 581 HB THR 75 HB THR 75 8.781 0.790 -9.523 582 HG1 THR 75 1HG THR 75 10.481 2.083 -8.493 583 1HG2 THR 75 1HG2 THR 75 7.122 2.955 -8.255 584 2HG2 THR 75 2HG2 THR 75 6.520 1.520 -9.087 585 3HG2 THR 75 3HG2 THR 75 7.405 2.754 -9.984 586 H TYR 76 H TYR 76 7.121 1.627 -5.531 587 HA TYR 76 HA TYR 76 5.099 -0.458 -5.918 588 1HB TYR 76 2HB TYR 76 5.634 1.481 -3.667 589 2HB TYR 76 1HB TYR 76 4.157 0.529 -3.754 590 HD1 TYR 76 1HD TYR 76 7.840 0.288 -3.508 591 HD2 TYR 76 2HD TYR 76 4.127 -1.730 -3.055 592 HE1 TYR 76 1HE TYR 76 8.999 -1.579 -2.407 593 HE2 TYR 76 2HE TYR 76 5.275 -3.606 -1.952 594 HH TYR 76 HH TYR 76 8.713 -3.884 -1.901 595 H ASN 77 H ASN 77 2.885 0.057 -6.179 596 HA ASN 77 HA ASN 77 2.315 2.843 -6.921 597 1HB ASN 77 2HB ASN 77 2.095 0.407 -8.590 598 2HB ASN 77 1HB ASN 77 0.742 1.528 -8.680 599 1HD2 ASN 77 1HD2 ASN 77 3.322 0.701 -10.296 600 2HD2 ASN 77 2HD2 ASN 77 3.849 2.224 -10.920 601 H VAL 78 H VAL 78 0.658 3.607 -5.784 602 HA VAL 78 HA VAL 78 -1.310 1.686 -4.743 603 HB VAL 78 HB VAL 78 -1.402 4.414 -3.640 604 1HG1 VAL 78 1HG1 VAL 78 -1.108 2.237 -1.772 605 2HG1 VAL 78 2HG1 VAL 78 -2.326 1.874 -2.994 606 3HG1 VAL 78 3HG1 VAL 78 -2.466 3.334 -2.020 607 1HG2 VAL 78 1HG2 VAL 78 0.507 3.750 -2.012 608 2HG2 VAL 78 2HG2 VAL 78 0.916 4.461 -3.574 609 3HG2 VAL 78 3HG2 VAL 78 1.052 2.718 -3.337 610 H THR 79 H THR 79 -3.349 1.769 -5.420 611 HA THR 79 HA THR 79 -4.239 4.160 -6.896 612 HB THR 79 HB THR 79 -5.759 1.754 -7.497 613 HG1 THR 79 1HG THR 79 -4.050 0.776 -8.709 614 1HG2 THR 79 1HG2 THR 79 -5.871 2.627 -9.545 615 2HG2 THR 79 2HG2 THR 79 -4.139 2.957 -9.610 616 3HG2 THR 79 3HG2 THR 79 -5.222 4.077 -8.780 617 H VAL 80 H VAL 80 -5.275 5.214 -5.290 618 HA VAL 80 HA VAL 80 -7.071 3.811 -3.497 619 HB VAL 80 HB VAL 80 -6.310 6.730 -3.702 620 1HG1 VAL 80 1HG1 VAL 80 -7.970 5.398 -1.567 621 2HG1 VAL 80 2HG1 VAL 80 -8.597 6.463 -2.823 622 3HG1 VAL 80 3HG1 VAL 80 -7.475 7.091 -1.617 623 1HG2 VAL 80 1HG2 VAL 80 -4.860 4.626 -2.684 624 2HG2 VAL 80 2HG2 VAL 80 -5.660 5.281 -1.256 625 3HG2 VAL 80 3HG2 VAL 80 -4.653 6.324 -2.258 626 H TYR 81 H TYR 81 -9.189 3.600 -3.760 627 HA TYR 81 HA TYR 81 -10.532 5.335 -5.720 628 1HB TYR 81 2HB TYR 81 -11.155 2.478 -5.033 629 2HB TYR 81 1HB TYR 81 -12.094 3.472 -6.114 630 HD1 TYR 81 1HD TYR 81 -9.110 1.440 -5.758 631 HD2 TYR 81 2HD TYR 81 -11.147 4.180 -8.295 632 HE1 TYR 81 1HE TYR 81 -7.695 0.739 -7.641 633 HE2 TYR 81 2HE TYR 81 -9.733 3.489 -10.184 634 HH TYR 81 HH TYR 81 -7.599 2.453 -10.605 635 H SER 82 H SER 82 -12.643 5.918 -5.309 636 HA SER 82 HA SER 82 -13.269 6.230 -2.491 637 1HB SER 82 2HB SER 82 -15.249 7.472 -4.081 638 2HB SER 82 1HB SER 82 -13.950 8.235 -3.167 639 HG SER 82 HG SER 82 -14.237 8.084 -5.804 640 H THR 83 H THR 83 -15.714 6.219 -1.996 641 HA THR 83 HA THR 83 -16.635 3.578 -2.150 642 HB THR 83 HB THR 83 -18.839 4.596 -1.364 643 HG1 THR 83 1HG THR 83 -17.315 6.967 -1.157 644 1HG2 THR 83 1HG2 THR 83 -18.057 5.164 0.827 645 2HG2 THR 83 2HG2 THR 83 -16.420 5.416 0.220 646 3HG2 THR 83 3HG2 THR 83 -17.123 3.798 0.216 647 H ASN 84 H ASN 84 -17.150 6.321 -4.236 648 HA ASN 84 HA ASN 84 -19.367 5.168 -5.646 649 1HB ASN 84 2HB ASN 84 -18.713 7.676 -5.392 650 2HB ASN 84 1HB ASN 84 -17.650 7.362 -6.759 651 1HD2 ASN 84 1HD2 ASN 84 -18.544 8.135 -8.522 652 2HD2 ASN 84 2HD2 ASN 84 -20.200 7.965 -8.985 653 H GLY 85 H GLY 85 -16.145 4.398 -5.611 654 1HA GLY 85 2HA GLY 85 -15.038 2.839 -6.923 655 2HA GLY 85 1HA GLY 85 -16.395 2.859 -8.039 656 H THR 86 H THR 86 -14.827 5.812 -7.067 657 HA THR 86 HA THR 86 -13.833 6.116 -9.815 658 HB THR 86 HB THR 86 -13.790 8.495 -8.099 659 HG1 THR 86 1HG THR 86 -15.720 8.311 -7.346 660 1HG2 THR 86 1HG2 THR 86 -13.750 9.308 -10.165 661 2HG2 THR 86 2HG2 THR 86 -15.485 8.990 -10.192 662 3HG2 THR 86 3HG2 THR 86 -14.360 7.807 -10.862 663 H ARG 87 H ARG 87 -11.805 7.425 -10.039 664 HA ARG 87 HA ARG 87 -9.772 6.283 -8.334 665 1HB ARG 87 2HB ARG 87 -9.046 8.320 -10.371 666 2HB ARG 87 1HB ARG 87 -8.269 6.793 -9.982 667 1HG ARG 87 2HG ARG 87 -9.113 6.115 -11.936 668 2HG ARG 87 1HG ARG 87 -10.621 5.934 -11.037 669 1HD ARG 87 2HD ARG 87 -11.359 7.217 -12.774 670 2HD ARG 87 1HD ARG 87 -10.884 8.487 -11.647 671 HE ARG 87 HE ARG 87 -8.694 7.824 -13.284 672 1HH1 ARG 87 1HH1 ARG 87 -11.803 9.402 -13.456 673 2HH1 ARG 87 2HH1 ARG 87 -11.341 10.445 -14.759 674 1HH2 ARG 87 1HH2 ARG 87 -8.086 9.196 -14.998 675 2HH2 ARG 87 2HH2 ARG 87 -9.231 10.328 -15.635 676 H ILE 88 H ILE 88 -9.201 7.201 -6.482 677 HA ILE 88 HA ILE 88 -9.692 10.039 -6.053 678 HB ILE 88 HB ILE 88 -8.740 7.911 -4.133 679 1HG1 ILE 88 2HG1 ILE 88 -11.438 9.208 -4.563 680 2HG1 ILE 88 1HG1 ILE 88 -11.025 7.515 -4.813 681 1HG2 ILE 88 1HG2 ILE 88 -8.635 10.747 -3.928 682 2HG2 ILE 88 2HG2 ILE 88 -8.191 9.537 -2.724 683 3HG2 ILE 88 3HG2 ILE 88 -9.844 10.149 -2.791 684 1HD1 ILE 88 1HD1 ILE 88 -12.111 8.663 -2.532 685 2HD1 ILE 88 2HD1 ILE 88 -10.429 8.332 -2.117 686 3HD1 ILE 88 3HD1 ILE 88 -11.466 7.031 -2.699 687 H LEU 89 H LEU 89 -6.962 7.900 -5.183 688 HA LEU 89 HA LEU 89 -5.133 9.959 -6.196 689 1HB LEU 89 2HB LEU 89 -5.216 10.418 -3.871 690 2HB LEU 89 1HB LEU 89 -5.118 8.717 -3.458 691 HG LEU 89 HG LEU 89 -2.819 9.858 -4.945 692 1HD1 LEU 89 1HD1 LEU 89 -2.027 11.225 -3.343 693 2HD1 LEU 89 2HD1 LEU 89 -2.699 10.255 -2.033 694 3HD1 LEU 89 3HD1 LEU 89 -3.730 11.380 -2.915 695 1HD2 LEU 89 1HD2 LEU 89 -1.863 8.443 -2.837 696 2HD2 LEU 89 2HD2 LEU 89 -2.246 7.751 -4.412 697 3HD2 LEU 89 3HD2 LEU 89 -3.418 7.656 -3.098 698 H ASN 90 H ASN 90 -3.515 9.200 -7.363 699 HA ASN 90 HA ASN 90 -2.847 6.335 -7.185 700 1HB ASN 90 2HB ASN 90 -4.028 6.873 -9.295 701 2HB ASN 90 1HB ASN 90 -2.802 8.084 -9.660 702 1HD2 ASN 90 1HD2 ASN 90 -2.636 4.763 -8.425 703 2HD2 ASN 90 2HD2 ASN 90 -1.569 4.179 -9.651 704 H LYS 91 H LYS 91 -0.941 6.234 -6.150 705 HA LYS 91 HA LYS 91 1.121 8.206 -6.913 706 1HB LYS 91 2HB LYS 91 0.679 6.876 -4.241 707 2HB LYS 91 1HB LYS 91 2.069 7.876 -4.631 708 1HG LYS 91 2HG LYS 91 -0.663 8.993 -5.013 709 2HG LYS 91 1HG LYS 91 -0.003 8.864 -3.381 710 1HD LYS 91 2HD LYS 91 0.675 10.985 -4.008 711 2HD LYS 91 1HD LYS 91 2.087 10.011 -4.422 712 1HE LYS 91 2HE LYS 91 0.244 10.061 -6.625 713 2HE LYS 91 1HE LYS 91 0.607 11.706 -6.104 714 1HZ LYS 91 1HZ LYS 91 2.336 9.733 -7.344 715 2HZ LYS 91 2HZ LYS 91 3.042 10.640 -6.105 716 3HZ LYS 91 3HZ LYS 91 2.371 11.421 -7.446 717 H ALA 92 H ALA 92 3.292 7.551 -6.941 718 HA ALA 92 HA ALA 92 3.819 4.672 -6.963 719 1HB ALA 92 1HB ALA 92 4.877 6.423 -9.153 720 2HB ALA 92 2HB ALA 92 3.312 5.626 -9.292 721 3HB ALA 92 3HB ALA 92 4.777 4.663 -9.092 722 H LEU 93 H LEU 93 5.535 4.274 -5.720 723 HA LEU 93 HA LEU 93 7.584 6.379 -5.445 724 1HB LEU 93 2HB LEU 93 6.978 4.346 -3.319 725 2HB LEU 93 1HB LEU 93 7.872 5.847 -3.168 726 HG LEU 93 HG LEU 93 5.632 7.004 -3.713 727 1HD1 LEU 93 1HD1 LEU 93 3.783 5.430 -2.658 728 2HD1 LEU 93 2HD1 LEU 93 4.812 4.177 -3.351 729 3HD1 LEU 93 3HD1 LEU 93 4.131 5.432 -4.386 730 1HD2 LEU 93 1HD2 LEU 93 4.980 6.958 -1.366 731 2HD2 LEU 93 2HD2 LEU 93 6.732 7.072 -1.530 732 3HD2 LEU 93 3HD2 LEU 93 5.985 5.532 -1.105 733 H ASP 94 H ASP 94 9.735 5.542 -4.761 734 HA ASP 94 HA ASP 94 10.276 2.891 -5.929 735 1HB ASP 94 2HB ASP 94 12.145 5.257 -6.082 736 2HB ASP 94 1HB ASP 94 12.303 3.710 -6.906 737 H LEU 95 H LEU 95 10.740 1.618 -4.239 738 HA LEU 95 HA LEU 95 12.347 2.680 -2.021 739 1HB LEU 95 2HB LEU 95 10.125 1.537 -1.592 740 2HB LEU 95 1HB LEU 95 10.872 0.045 -2.129 741 HG LEU 95 HG LEU 95 12.015 1.624 0.164 742 1HD1 LEU 95 1HD1 LEU 95 9.785 -0.388 0.182 743 2HD1 LEU 95 2HD1 LEU 95 9.807 1.231 0.883 744 3HD1 LEU 95 3HD1 LEU 95 10.782 -0.053 1.597 745 1HD2 LEU 95 1HD2 LEU 95 12.245 -1.211 -0.819 746 2HD2 LEU 95 2HD2 LEU 95 12.803 -0.691 0.771 747 3HD2 LEU 95 3HD2 LEU 95 13.520 0.001 -0.685 748 H ARG 96 H ARG 96 14.469 2.340 -2.171 749 HA ARG 96 HA ARG 96 15.430 -0.009 -3.632 750 1HB ARG 96 2HB ARG 96 17.513 1.757 -2.598 751 2HB ARG 96 1HB ARG 96 17.208 1.195 -4.228 752 1HG ARG 96 2HG ARG 96 15.786 3.495 -2.931 753 2HG ARG 96 1HG ARG 96 17.138 3.632 -4.051 754 1HD ARG 96 2HD ARG 96 14.348 2.672 -4.579 755 2HD ARG 96 1HD ARG 96 15.248 3.951 -5.390 756 HE ARG 96 HE ARG 96 16.720 1.851 -6.039 757 1HH1 ARG 96 1HH1 ARG 96 13.245 2.209 -6.046 758 2HH1 ARG 96 2HH1 ARG 96 13.009 1.081 -7.338 759 1HH2 ARG 96 1HH2 ARG 96 16.406 0.372 -7.737 760 2HH2 ARG 96 2HH2 ARG 96 14.802 0.039 -8.297 761 H ILE 97 H ILE 97 15.711 -1.783 -2.472 762 HA ILE 97 HA ILE 97 16.353 -1.574 0.368 763 HB ILE 97 HB ILE 97 15.862 -4.152 -1.088 764 1HG1 ILE 97 2HG1 ILE 97 13.671 -2.560 0.228 765 2HG1 ILE 97 1HG1 ILE 97 14.022 -2.390 -1.487 766 1HG2 ILE 97 1HG2 ILE 97 16.724 -3.881 1.347 767 2HG2 ILE 97 2HG2 ILE 97 15.455 -5.052 0.995 768 3HG2 ILE 97 3HG2 ILE 97 15.042 -3.493 1.706 769 1HD1 ILE 97 1HD1 ILE 97 13.192 -4.909 -0.072 770 2HD1 ILE 97 2HD1 ILE 97 13.622 -4.797 -1.777 771 3HD1 ILE 97 3HD1 ILE 97 12.210 -3.935 -1.166 772 H LEU 98 H LEU 98 18.459 -1.434 0.825 773 HA LEU 98 HA LEU 98 20.531 -2.394 -0.809 774 1HB LEU 98 2HB LEU 98 20.211 -1.102 1.820 775 2HB LEU 98 1HB LEU 98 21.655 -2.060 1.629 776 HG LEU 98 HG LEU 98 20.818 0.259 -0.094 777 1HD1 LEU 98 1HD1 LEU 98 23.203 0.955 0.887 778 2HD1 LEU 98 2HD1 LEU 98 22.634 -0.054 2.217 779 3HD1 LEU 98 3HD1 LEU 98 21.684 1.338 1.698 780 1HD2 LEU 98 1HD2 LEU 98 22.915 -1.816 -0.410 781 2HD2 LEU 98 2HD2 LEU 98 23.331 -0.156 -0.836 782 3HD2 LEU 98 3HD2 LEU 98 21.977 -0.957 -1.631 783 H GLU 99 H GLU 99 21.319 -4.369 -0.962 784 HA GLU 99 HA GLU 99 20.242 -6.585 0.369 785 1HB GLU 99 2HB GLU 99 22.963 -6.494 -0.933 786 2HB GLU 99 1HB GLU 99 21.918 -7.893 -0.731 787 1HG GLU 99 2HG GLU 99 21.344 -7.490 -2.850 788 2HG GLU 99 1HG GLU 99 20.305 -6.247 -2.153 Start of MODEL 14 1 1H ARG 1 1H ARG 1 8.576 15.828 -5.855 2 2H ARG 1 2H ARG 1 7.637 15.714 -7.286 3 3H ARG 1 3H ARG 1 8.340 14.305 -6.603 4 HA ARG 1 HA ARG 1 7.000 14.809 -4.574 5 1HB ARG 1 2HB ARG 1 5.025 16.190 -4.949 6 2HB ARG 1 1HB ARG 1 6.484 17.124 -5.247 7 1HG ARG 1 2HG ARG 1 6.175 17.044 -7.586 8 2HG ARG 1 1HG ARG 1 4.929 15.801 -7.449 9 1HD ARG 1 2HD ARG 1 3.481 17.409 -6.284 10 2HD ARG 1 1HD ARG 1 4.721 18.647 -6.472 11 HE ARG 1 HE ARG 1 4.051 18.934 -8.638 12 1HH1 ARG 1 1HH1 ARG 1 2.782 15.901 -7.468 13 2HH1 ARG 1 2HH1 ARG 1 1.806 15.624 -8.872 14 1HH2 ARG 1 1HH2 ARG 1 2.768 18.572 -10.485 15 2HH2 ARG 1 2HH2 ARG 1 1.799 17.140 -10.585 16 H ASP 2 H ASP 2 6.451 14.267 -7.993 17 HA ASP 2 HA ASP 2 4.171 12.580 -7.654 18 1HB ASP 2 2HB ASP 2 5.073 13.888 -9.774 19 2HB ASP 2 1HB ASP 2 5.922 12.373 -10.066 20 H SER 3 H SER 3 7.628 12.004 -8.199 21 HA SER 3 HA SER 3 7.205 9.137 -7.773 22 1HB SER 3 2HB SER 3 9.808 9.239 -8.353 23 2HB SER 3 1HB SER 3 8.573 9.256 -9.612 24 HG SER 3 HG SER 3 10.369 11.167 -8.940 25 H GLY 4 H GLY 4 7.520 8.306 -5.822 26 1HA GLY 4 2HA GLY 4 9.048 9.860 -3.856 27 2HA GLY 4 1HA GLY 4 7.915 8.568 -3.491 28 H THR 5 H THR 5 10.346 8.603 -2.260 29 HA THR 5 HA THR 5 11.533 6.145 -3.284 30 HB THR 5 HB THR 5 13.250 8.539 -2.608 31 HG1 THR 5 1HG THR 5 12.575 7.481 -5.152 32 1HG2 THR 5 1HG2 THR 5 13.823 5.751 -3.123 33 2HG2 THR 5 2HG2 THR 5 14.861 7.025 -2.481 34 3HG2 THR 5 3HG2 THR 5 14.676 6.831 -4.224 35 H VAL 6 H VAL 6 12.561 4.918 -1.769 36 HA VAL 6 HA VAL 6 12.548 5.874 0.995 37 HB VAL 6 HB VAL 6 10.483 4.412 0.201 38 1HG1 VAL 6 1HG1 VAL 6 10.725 2.160 0.231 39 2HG1 VAL 6 2HG1 VAL 6 12.241 2.227 1.133 40 3HG1 VAL 6 3HG1 VAL 6 12.202 2.703 -0.566 41 1HG2 VAL 6 1HG2 VAL 6 10.572 5.169 2.443 42 2HG2 VAL 6 2HG2 VAL 6 11.980 4.166 2.800 43 3HG2 VAL 6 3HG2 VAL 6 10.407 3.417 2.537 44 H TRP 7 H TRP 7 14.111 4.939 2.320 45 HA TRP 7 HA TRP 7 16.007 3.162 0.932 46 1HB TRP 7 2HB TRP 7 16.555 5.294 3.005 47 2HB TRP 7 1HB TRP 7 17.763 4.167 2.394 48 HD1 TRP 7 HD TRP 7 15.648 7.172 1.275 49 HE1 TRP 7 1HE TRP 7 16.724 8.186 -0.831 50 HE3 TRP 7 3HE TRP 7 19.256 3.650 0.439 51 HZ2 TRP 7 2HZ TRP 7 18.832 7.574 -2.611 52 HZ3 TRP 7 3HZ TRP 7 20.762 3.937 -1.487 53 HH2 TRP 7 HH TRP 7 20.553 5.859 -2.979 54 H GLY 8 H GLY 8 16.365 1.230 1.794 55 1HA GLY 8 2HA GLY 8 16.044 0.841 4.676 56 2HA GLY 8 1HA GLY 8 14.932 -0.058 3.664 57 H ALA 9 H ALA 9 16.342 -1.649 5.178 58 HA ALA 9 HA ALA 9 18.524 -2.627 3.457 59 1HB ALA 9 1HB ALA 9 18.341 -2.787 6.462 60 2HB ALA 9 2HB ALA 9 19.449 -1.779 5.530 61 3HB ALA 9 3HB ALA 9 19.594 -3.536 5.473 62 H LEU 10 H LEU 10 18.457 -4.711 2.852 63 HA LEU 10 HA LEU 10 16.080 -6.157 2.923 64 1HB LEU 10 2HB LEU 10 18.488 -6.425 1.656 65 2HB LEU 10 1HB LEU 10 18.530 -7.785 2.761 66 HG LEU 10 HG LEU 10 16.166 -8.321 1.783 67 1HD1 LEU 10 1HD1 LEU 10 16.550 -7.604 -0.800 68 2HD1 LEU 10 2HD1 LEU 10 17.149 -6.174 0.034 69 3HD1 LEU 10 3HD1 LEU 10 15.506 -6.739 0.327 70 1HD2 LEU 10 1HD2 LEU 10 18.604 -8.724 0.068 71 2HD2 LEU 10 2HD2 LEU 10 17.173 -9.749 0.164 72 3HD2 LEU 10 3HD2 LEU 10 18.269 -9.634 1.540 73 H GLY 11 H GLY 11 15.131 -7.454 4.347 74 1HA GLY 11 2HA GLY 11 15.094 -9.099 6.048 75 2HA GLY 11 1HA GLY 11 16.730 -8.641 6.492 76 H HIS 12 H HIS 12 15.401 -5.725 6.195 77 HA HIS 12 HA HIS 12 14.524 -5.708 8.996 78 1HB HIS 12 2HB HIS 12 16.181 -4.194 9.168 79 2HB HIS 12 1HB HIS 12 16.323 -4.039 7.423 80 HD1 HIS 12 1HD HIS 12 14.729 -2.444 10.401 81 HD2 HIS 12 2HD HIS 12 14.995 -1.919 6.300 82 HE1 HIS 12 1HE HIS 12 13.911 -0.101 9.978 83 HE2 HIS 12 2HE HIS 12 14.196 0.241 7.496 84 H GLY 13 H GLY 13 12.970 -3.792 9.445 85 1HA GLY 13 2HA GLY 13 10.666 -4.223 7.763 86 2HA GLY 13 1HA GLY 13 10.721 -3.256 9.228 87 H ILE 14 H ILE 14 9.222 -2.216 7.346 88 HA ILE 14 HA ILE 14 10.285 0.303 6.856 89 HB ILE 14 HB ILE 14 11.701 -1.021 5.221 90 1HG1 ILE 14 2HG1 ILE 14 10.985 0.675 3.277 91 2HG1 ILE 14 1HG1 ILE 14 10.099 1.399 4.614 92 1HG2 ILE 14 1HG2 ILE 14 9.032 -1.367 3.905 93 2HG2 ILE 14 2HG2 ILE 14 10.257 -2.582 4.270 94 3HG2 ILE 14 3HG2 ILE 14 10.536 -1.404 2.988 95 1HD1 ILE 14 1HD1 ILE 14 12.998 0.727 4.893 96 2HD1 ILE 14 2HD1 ILE 14 12.033 1.907 5.782 97 3HD1 ILE 14 3HD1 ILE 14 12.480 2.217 4.105 98 H ASP 15 H ASP 15 8.697 1.715 6.255 99 HA ASP 15 HA ASP 15 6.105 0.515 5.524 100 1HB ASP 15 2HB ASP 15 6.576 1.813 7.819 101 2HB ASP 15 1HB ASP 15 6.196 3.199 6.803 102 H LEU 16 H LEU 16 5.245 1.092 3.656 103 HA LEU 16 HA LEU 16 6.505 3.176 2.066 104 1HB LEU 16 2HB LEU 16 4.913 0.799 1.576 105 2HB LEU 16 1HB LEU 16 4.271 2.164 0.695 106 HG LEU 16 HG LEU 16 5.854 2.011 -0.873 107 1HD1 LEU 16 1HD1 LEU 16 8.289 1.722 -0.367 108 2HD1 LEU 16 2HD1 LEU 16 7.869 1.747 1.345 109 3HD1 LEU 16 3HD1 LEU 16 7.541 3.156 0.333 110 1HD2 LEU 16 1HD2 LEU 16 6.155 -0.534 0.628 111 2HD2 LEU 16 2HD2 LEU 16 7.279 -0.185 -0.685 112 3HD2 LEU 16 3HD2 LEU 16 5.546 -0.245 -1.002 113 H ASP 17 H ASP 17 5.888 5.197 2.593 114 HA ASP 17 HA ASP 17 3.162 5.715 3.438 115 1HB ASP 17 2HB ASP 17 5.578 7.510 3.221 116 2HB ASP 17 1HB ASP 17 3.996 8.050 3.775 117 H ILE 18 H ILE 18 1.600 6.351 2.176 118 HA ILE 18 HA ILE 18 2.032 6.966 -0.599 119 HB ILE 18 HB ILE 18 -0.501 7.003 1.034 120 1HG1 ILE 18 2HG1 ILE 18 0.963 4.855 -0.429 121 2HG1 ILE 18 1HG1 ILE 18 0.152 4.779 1.121 122 1HG2 ILE 18 1HG2 ILE 18 -1.725 7.070 -0.972 123 2HG2 ILE 18 2HG2 ILE 18 -0.293 6.750 -1.950 124 3HG2 ILE 18 3HG2 ILE 18 -0.480 8.307 -1.145 125 1HD1 ILE 18 1HD1 ILE 18 -1.142 3.492 -0.337 126 2HD1 ILE 18 2HD1 ILE 18 -1.090 4.729 -1.593 127 3HD1 ILE 18 3HD1 ILE 18 -2.018 5.007 -0.119 128 HA PRO 19 HA PRO 19 2.487 11.373 0.202 129 1HB PRO 19 2HB PRO 19 2.031 11.533 -2.726 130 2HB PRO 19 1HB PRO 19 3.361 12.175 -1.755 131 1HG PRO 19 2HG PRO 19 3.721 10.041 -3.305 132 2HG PRO 19 1HG PRO 19 4.481 10.142 -1.706 133 1HD PRO 19 2HD PRO 19 2.052 8.616 -2.558 134 2HD PRO 19 1HD PRO 19 3.362 8.124 -1.467 135 H ASN 20 H ASN 20 1.006 12.778 0.799 136 HA ASN 20 HA ASN 20 -1.058 13.665 1.222 137 1HB ASN 20 2HB ASN 20 -0.670 13.861 -1.741 138 2HB ASN 20 1HB ASN 20 -2.138 14.488 -0.998 139 1HD2 ASN 20 1HD2 ASN 20 1.363 14.536 -0.405 140 2HD2 ASN 20 2HD2 ASN 20 1.449 16.223 -0.042 141 H PHE 21 H PHE 21 -1.709 11.307 1.859 142 HA PHE 21 HA PHE 21 -4.234 10.774 0.513 143 1HB PHE 21 2HB PHE 21 -3.031 9.119 -0.542 144 2HB PHE 21 1HB PHE 21 -1.947 8.880 0.819 145 HD1 PHE 21 1HD PHE 21 -2.183 6.982 2.047 146 HD2 PHE 21 2HD PHE 21 -5.538 8.482 -0.068 147 HE1 PHE 21 1HE PHE 21 -3.492 5.023 2.766 148 HE2 PHE 21 2HE PHE 21 -6.868 6.531 0.648 149 HZ PHE 21 HZ PHE 21 -5.842 4.798 2.063 150 H GLN 22 H GLN 22 -5.794 9.753 1.837 151 HA GLN 22 HA GLN 22 -5.102 9.385 4.656 152 1HB GLN 22 2HB GLN 22 -6.970 11.416 3.543 153 2HB GLN 22 1HB GLN 22 -7.454 10.595 5.021 154 1HG GLN 22 2HG GLN 22 -5.523 11.369 6.175 155 2HG GLN 22 1HG GLN 22 -4.812 11.989 4.686 156 1HE2 GLN 22 1HE2 GLN 22 -7.741 12.317 6.659 157 2HE2 GLN 22 2HE2 GLN 22 -7.901 14.025 6.447 158 H MET 23 H MET 23 -5.773 7.434 5.224 159 HA MET 23 HA MET 23 -7.793 6.051 3.695 160 1HB MET 23 2HB MET 23 -5.673 5.005 4.645 161 2HB MET 23 1HB MET 23 -6.458 5.078 6.216 162 1HG MET 23 2HG MET 23 -8.010 3.821 4.051 163 2HG MET 23 1HG MET 23 -6.571 2.955 4.585 164 1HE MET 23 1HE MET 23 -9.642 2.581 4.437 165 2HE MET 23 2HE MET 23 -10.564 3.115 5.843 166 3HE MET 23 3HE MET 23 -9.929 1.471 5.778 167 H THR 24 H THR 24 -9.632 7.351 4.157 168 HA THR 24 HA THR 24 -10.721 6.934 6.865 169 HB THR 24 HB THR 24 -11.955 9.017 6.626 170 HG1 THR 24 1HG THR 24 -10.648 9.306 4.128 171 1HG2 THR 24 1HG2 THR 24 -9.144 8.904 6.788 172 2HG2 THR 24 2HG2 THR 24 -10.231 10.146 7.409 173 3HG2 THR 24 3HG2 THR 24 -9.562 10.291 5.784 174 H ASP 25 H ASP 25 -13.305 7.566 6.545 175 HA ASP 25 HA ASP 25 -14.438 5.288 5.406 176 1HB ASP 25 2HB ASP 25 -15.617 7.951 6.186 177 2HB ASP 25 1HB ASP 25 -16.610 6.643 5.551 178 H ASP 26 H ASP 26 -13.697 8.398 4.013 179 HA ASP 26 HA ASP 26 -15.322 8.250 1.721 180 1HB ASP 26 2HB ASP 26 -13.719 10.156 2.755 181 2HB ASP 26 1HB ASP 26 -12.680 9.569 1.459 182 H ILE 27 H ILE 27 -12.283 6.760 2.527 183 HA ILE 27 HA ILE 27 -11.727 5.980 -0.197 184 HB ILE 27 HB ILE 27 -10.340 5.270 2.390 185 1HG1 ILE 27 2HG1 ILE 27 -10.116 7.629 1.961 186 2HG1 ILE 27 1HG1 ILE 27 -8.610 6.860 1.519 187 1HG2 ILE 27 1HG2 ILE 27 -9.465 4.817 -0.459 188 2HG2 ILE 27 2HG2 ILE 27 -9.954 3.574 0.694 189 3HG2 ILE 27 3HG2 ILE 27 -8.491 4.515 0.979 190 1HD1 ILE 27 1HD1 ILE 27 -9.836 6.807 -0.856 191 2HD1 ILE 27 2HD1 ILE 27 -8.836 8.153 -0.306 192 3HD1 ILE 27 3HD1 ILE 27 -10.593 8.237 -0.157 193 H ASP 28 H ASP 28 -12.443 4.040 -1.095 194 HA ASP 28 HA ASP 28 -13.566 2.061 0.757 195 1HB ASP 28 2HB ASP 28 -14.708 3.339 -1.475 196 2HB ASP 28 1HB ASP 28 -14.422 1.674 -1.964 197 H GLU 29 H GLU 29 -11.650 2.400 -2.259 198 HA GLU 29 HA GLU 29 -10.708 -0.351 -1.731 199 1HB GLU 29 2HB GLU 29 -12.229 -0.154 -3.707 200 2HB GLU 29 1HB GLU 29 -11.040 0.891 -4.462 201 1HG GLU 29 2HG GLU 29 -9.430 -0.892 -4.515 202 2HG GLU 29 1HG GLU 29 -10.522 -1.947 -3.617 203 H VAL 30 H VAL 30 -8.622 -0.438 -1.233 204 HA VAL 30 HA VAL 30 -6.772 1.495 -2.484 205 HB VAL 30 HB VAL 30 -6.437 0.364 0.309 206 1HG1 VAL 30 1HG1 VAL 30 -4.805 2.134 -1.440 207 2HG1 VAL 30 2HG1 VAL 30 -4.300 0.826 -0.369 208 3HG1 VAL 30 3HG1 VAL 30 -4.778 2.388 0.304 209 1HG2 VAL 30 1HG2 VAL 30 -7.289 2.291 1.223 210 2HG2 VAL 30 2HG2 VAL 30 -8.328 2.119 -0.192 211 3HG2 VAL 30 3HG2 VAL 30 -6.973 3.248 -0.226 212 H ARG 31 H ARG 31 -5.530 0.409 -3.898 213 HA ARG 31 HA ARG 31 -4.738 -2.341 -3.208 214 1HB ARG 31 2HB ARG 31 -4.484 -2.741 -5.608 215 2HB ARG 31 1HB ARG 31 -6.115 -2.217 -5.213 216 1HG ARG 31 2HG ARG 31 -5.214 0.145 -5.826 217 2HG ARG 31 1HG ARG 31 -3.959 -0.762 -6.672 218 1HD ARG 31 2HD ARG 31 -6.935 -0.893 -7.115 219 2HD ARG 31 1HD ARG 31 -5.711 -0.287 -8.229 220 HE ARG 31 HE ARG 31 -5.055 -2.919 -7.696 221 1HH1 ARG 31 1HH1 ARG 31 -7.726 -1.186 -9.122 222 2HH1 ARG 31 2HH1 ARG 31 -8.167 -2.484 -10.180 223 1HH2 ARG 31 1HH2 ARG 31 -5.633 -4.629 -9.085 224 2HH2 ARG 31 2HH2 ARG 31 -6.979 -4.440 -10.157 225 H TRP 32 H TRP 32 -2.669 -2.959 -3.244 226 HA TRP 32 HA TRP 32 -0.631 -0.895 -3.780 227 1HB TRP 32 2HB TRP 32 -0.718 -3.151 -1.781 228 2HB TRP 32 1HB TRP 32 0.805 -2.427 -2.272 229 HD1 TRP 32 HD TRP 32 -2.378 -1.635 -0.267 230 HE1 TRP 32 1HE TRP 32 -1.915 0.419 1.208 231 HE3 TRP 32 3HE TRP 32 2.216 -0.343 -2.094 232 HZ2 TRP 32 2HZ TRP 32 0.128 2.343 1.549 233 HZ3 TRP 32 3HZ TRP 32 3.355 1.621 -1.143 234 HH2 TRP 32 HH TRP 32 2.331 2.932 0.643 235 H GLU 33 H GLU 33 -0.636 -1.485 -6.017 236 HA GLU 33 HA GLU 33 0.193 -4.209 -6.649 237 1HB GLU 33 2HB GLU 33 -0.522 -1.932 -8.500 238 2HB GLU 33 1HB GLU 33 -0.221 -3.596 -8.981 239 1HG GLU 33 2HG GLU 33 -2.190 -4.366 -8.005 240 2HG GLU 33 1HG GLU 33 -2.373 -2.918 -7.016 241 H ARG 34 H ARG 34 2.042 -4.783 -7.645 242 HA ARG 34 HA ARG 34 4.069 -2.720 -8.140 243 1HB ARG 34 2HB ARG 34 4.391 -3.883 -5.898 244 2HB ARG 34 1HB ARG 34 4.696 -5.357 -6.807 245 1HG ARG 34 2HG ARG 34 6.285 -3.057 -7.676 246 2HG ARG 34 1HG ARG 34 6.596 -3.580 -6.019 247 1HD ARG 34 2HD ARG 34 8.031 -4.992 -7.048 248 2HD ARG 34 1HD ARG 34 6.574 -5.966 -7.239 249 HE ARG 34 HE ARG 34 6.647 -5.580 -9.496 250 1HH1 ARG 34 1HH1 ARG 34 8.797 -3.348 -7.891 251 2HH1 ARG 34 2HH1 ARG 34 9.496 -2.767 -9.365 252 1HH2 ARG 34 1HH2 ARG 34 7.565 -4.816 -11.435 253 2HH2 ARG 34 2HH2 ARG 34 8.796 -3.599 -11.377 254 H GLY 35 H GLY 35 4.678 -2.877 -10.212 255 1HA GLY 35 2HA GLY 35 5.126 -3.782 -12.283 256 2HA GLY 35 1HA GLY 35 5.609 -5.228 -11.417 257 H SER 36 H SER 36 4.500 -6.977 -11.824 258 HA SER 36 HA SER 36 1.742 -6.710 -12.831 259 1HB SER 36 2HB SER 36 2.103 -8.680 -14.212 260 2HB SER 36 1HB SER 36 3.351 -7.485 -14.566 261 HG SER 36 HG SER 36 3.624 -9.744 -12.865 262 H THR 37 H THR 37 2.174 -6.848 -10.114 263 HA THR 37 HA THR 37 0.810 -9.318 -9.468 264 HB THR 37 HB THR 37 3.528 -8.673 -8.315 265 HG1 THR 37 1HG THR 37 4.056 -10.696 -9.187 266 1HG2 THR 37 1HG2 THR 37 1.595 -10.824 -7.490 267 2HG2 THR 37 2HG2 THR 37 2.195 -9.492 -6.500 268 3HG2 THR 37 3HG2 THR 37 3.295 -10.764 -7.030 269 H LEU 38 H LEU 38 0.002 -9.352 -7.248 270 HA LEU 38 HA LEU 38 -0.489 -6.626 -6.256 271 1HB LEU 38 2HB LEU 38 -2.071 -9.096 -6.316 272 2HB LEU 38 1HB LEU 38 -2.078 -8.307 -4.759 273 HG LEU 38 HG LEU 38 -3.011 -7.132 -7.375 274 1HD1 LEU 38 1HD1 LEU 38 -4.266 -8.535 -5.187 275 2HD1 LEU 38 2HD1 LEU 38 -4.934 -8.048 -6.746 276 3HD1 LEU 38 3HD1 LEU 38 -4.946 -6.920 -5.390 277 1HD2 LEU 38 1HD2 LEU 38 -3.687 -5.206 -5.846 278 2HD2 LEU 38 2HD2 LEU 38 -1.982 -5.323 -6.281 279 3HD2 LEU 38 3HD2 LEU 38 -2.526 -5.864 -4.693 280 H VAL 39 H VAL 39 -0.174 -6.105 -4.086 281 HA VAL 39 HA VAL 39 1.504 -8.010 -2.601 282 HB VAL 39 HB VAL 39 1.694 -5.007 -2.793 283 1HG1 VAL 39 1HG1 VAL 39 3.017 -6.820 -0.779 284 2HG1 VAL 39 2HG1 VAL 39 1.861 -5.528 -0.449 285 3HG1 VAL 39 3HG1 VAL 39 3.465 -5.138 -1.070 286 1HG2 VAL 39 1HG2 VAL 39 4.044 -6.808 -2.981 287 2HG2 VAL 39 2HG2 VAL 39 3.669 -5.344 -3.891 288 3HG2 VAL 39 3HG2 VAL 39 2.888 -6.870 -4.312 289 H ALA 40 H ALA 40 -0.925 -5.456 -2.374 290 HA ALA 40 HA ALA 40 -2.324 -6.752 -0.286 291 1HB ALA 40 1HB ALA 40 -0.918 -4.257 0.630 292 2HB ALA 40 2HB ALA 40 -0.290 -5.878 0.935 293 3HB ALA 40 3HB ALA 40 -1.853 -5.400 1.594 294 H GLU 41 H GLU 41 -4.366 -6.226 -0.760 295 HA GLU 41 HA GLU 41 -4.928 -3.436 -1.494 296 1HB GLU 41 2HB GLU 41 -6.194 -4.047 -3.275 297 2HB GLU 41 1HB GLU 41 -5.165 -5.471 -3.234 298 1HG GLU 41 2HG GLU 41 -7.040 -6.362 -1.622 299 2HG GLU 41 1HG GLU 41 -8.009 -5.162 -2.460 300 H PHE 42 H PHE 42 -7.048 -2.669 -0.923 301 HA PHE 42 HA PHE 42 -8.225 -4.063 1.374 302 1HB PHE 42 2HB PHE 42 -7.046 -2.121 2.143 303 2HB PHE 42 1HB PHE 42 -7.773 -1.115 0.905 304 HD1 PHE 42 1HD PHE 42 -9.993 -0.270 1.120 305 HD2 PHE 42 2HD PHE 42 -8.350 -2.823 4.101 306 HE1 PHE 42 1HE PHE 42 -11.824 0.339 2.639 307 HE2 PHE 42 2HE PHE 42 -10.179 -2.217 5.632 308 HZ PHE 42 HZ PHE 42 -11.921 -0.634 4.902 309 H LYS 43 H LYS 43 -10.386 -4.352 1.358 310 HA LYS 43 HA LYS 43 -11.958 -2.947 -0.692 311 1HB LYS 43 2HB LYS 43 -11.314 -5.620 -0.822 312 2HB LYS 43 1HB LYS 43 -12.900 -5.650 -0.065 313 1HG LYS 43 2HG LYS 43 -13.897 -4.535 -1.904 314 2HG LYS 43 1HG LYS 43 -12.324 -4.151 -2.605 315 1HD LYS 43 2HD LYS 43 -12.222 -6.881 -2.387 316 2HD LYS 43 1HD LYS 43 -13.917 -6.596 -2.785 317 1HE LYS 43 2HE LYS 43 -12.884 -4.994 -4.593 318 2HE LYS 43 1HE LYS 43 -11.463 -6.015 -4.375 319 1HZ LYS 43 1HZ LYS 43 -12.526 -7.170 -5.996 320 2HZ LYS 43 2HZ LYS 43 -14.071 -6.678 -5.517 321 3HZ LYS 43 3HZ LYS 43 -13.267 -7.892 -4.658 322 H ARG 44 H ARG 44 -13.382 -1.715 0.328 323 HA ARG 44 HA ARG 44 -14.079 -1.664 2.937 324 1HB ARG 44 2HB ARG 44 -14.689 0.080 1.376 325 2HB ARG 44 1HB ARG 44 -15.854 -0.984 0.614 326 1HG ARG 44 2HG ARG 44 -16.976 0.579 2.077 327 2HG ARG 44 1HG ARG 44 -17.134 -1.064 2.701 328 1HD ARG 44 2HD ARG 44 -16.619 0.597 4.459 329 2HD ARG 44 1HD ARG 44 -15.399 -0.668 4.323 330 HE ARG 44 HE ARG 44 -14.658 1.543 2.739 331 1HH1 ARG 44 1HH1 ARG 44 -14.918 0.573 6.082 332 2HH1 ARG 44 2HH1 ARG 44 -13.666 1.642 6.619 333 1HH2 ARG 44 1HH2 ARG 44 -13.010 2.948 3.444 334 2HH2 ARG 44 2HH2 ARG 44 -12.583 2.989 5.121 335 H LYS 45 H LYS 45 -14.405 -3.470 3.863 336 HA LYS 45 HA LYS 45 -15.708 -5.058 4.910 337 1HB LYS 45 2HB LYS 45 -17.780 -4.792 2.741 338 2HB LYS 45 1HB LYS 45 -17.991 -5.373 4.388 339 1HG LYS 45 2HG LYS 45 -17.067 -2.802 4.739 340 2HG LYS 45 1HG LYS 45 -18.123 -2.672 3.331 341 1HD LYS 45 2HD LYS 45 -19.872 -3.898 4.652 342 2HD LYS 45 1HD LYS 45 -18.822 -3.738 6.062 343 1HE LYS 45 2HE LYS 45 -18.954 -1.356 5.982 344 2HE LYS 45 1HE LYS 45 -19.771 -1.398 4.420 345 1HZ LYS 45 1HZ LYS 45 -21.564 -2.700 5.660 346 2HZ LYS 45 2HZ LYS 45 -21.467 -1.034 5.942 347 3HZ LYS 45 3HZ LYS 45 -20.839 -2.121 7.076 348 H MET 46 H MET 46 -15.761 -5.191 1.361 349 HA MET 46 HA MET 46 -15.973 -7.946 1.057 350 1HB MET 46 2HB MET 46 -14.787 -5.771 -0.625 351 2HB MET 46 1HB MET 46 -14.563 -7.448 -1.102 352 1HG MET 46 2HG MET 46 -16.673 -7.665 -1.795 353 2HG MET 46 1HG MET 46 -17.321 -6.765 -0.425 354 1HE MET 46 1HE MET 46 -19.168 -5.008 -1.918 355 2HE MET 46 2HE MET 46 -18.834 -6.575 -2.656 356 3HE MET 46 3HE MET 46 -18.773 -5.109 -3.634 357 H LYS 47 H LYS 47 -14.439 -9.590 0.691 358 HA LYS 47 HA LYS 47 -12.274 -9.634 2.467 359 1HB LYS 47 2HB LYS 47 -11.620 -11.727 1.222 360 2HB LYS 47 1HB LYS 47 -13.263 -11.701 1.847 361 1HG LYS 47 2HG LYS 47 -12.973 -10.706 -0.898 362 2HG LYS 47 1HG LYS 47 -12.583 -12.412 -0.674 363 1HD LYS 47 2HD LYS 47 -14.726 -12.975 -0.246 364 2HD LYS 47 1HD LYS 47 -15.038 -11.497 0.668 365 1HE LYS 47 2HE LYS 47 -16.354 -11.675 -1.434 366 2HE LYS 47 1HE LYS 47 -15.334 -10.240 -1.352 367 1HZ LYS 47 1HZ LYS 47 -15.397 -11.730 -3.483 368 2HZ LYS 47 2HZ LYS 47 -14.254 -12.644 -2.634 369 3HZ LYS 47 3HZ LYS 47 -13.951 -11.014 -2.971 370 HA PRO 48 HA PRO 48 -9.456 -7.289 -0.182 371 1HB PRO 48 2HB PRO 48 -7.593 -7.488 2.028 372 2HB PRO 48 1HB PRO 48 -8.350 -6.056 1.342 373 1HG PRO 48 2HG PRO 48 -8.962 -7.016 3.807 374 2HG PRO 48 1HG PRO 48 -10.114 -6.128 2.795 375 1HD PRO 48 2HD PRO 48 -9.890 -9.067 3.287 376 2HD PRO 48 1HD PRO 48 -11.340 -8.057 3.110 377 H PHE 49 H PHE 49 -6.772 -7.595 -0.130 378 HA PHE 49 HA PHE 49 -6.256 -10.470 -0.390 379 1HB PHE 49 2HB PHE 49 -6.778 -9.764 -2.636 380 2HB PHE 49 1HB PHE 49 -5.695 -8.383 -2.502 381 HD1 PHE 49 1HD PHE 49 -5.808 -12.074 -2.650 382 HD2 PHE 49 2HD PHE 49 -3.392 -8.583 -2.993 383 HE1 PHE 49 1HE PHE 49 -3.965 -13.437 -3.545 384 HE2 PHE 49 2HE PHE 49 -1.555 -9.937 -3.888 385 HZ PHE 49 HZ PHE 49 -1.833 -12.369 -4.163 386 H LEU 50 H LEU 50 -4.624 -10.907 0.924 387 HA LEU 50 HA LEU 50 -2.476 -8.938 1.237 388 1HB LEU 50 2HB LEU 50 -3.767 -10.915 3.034 389 2HB LEU 50 1HB LEU 50 -2.042 -10.696 3.228 390 HG LEU 50 HG LEU 50 -4.170 -8.579 3.513 391 1HD1 LEU 50 1HD1 LEU 50 -2.499 -10.158 5.410 392 2HD1 LEU 50 2HD1 LEU 50 -4.207 -9.726 5.500 393 3HD1 LEU 50 3HD1 LEU 50 -2.971 -8.512 5.832 394 1HD2 LEU 50 1HD2 LEU 50 -1.418 -8.309 2.805 395 2HD2 LEU 50 2HD2 LEU 50 -1.668 -7.654 4.425 396 3HD2 LEU 50 3HD2 LEU 50 -2.628 -7.055 3.070 397 H LYS 51 H LYS 51 -0.754 -9.412 -0.024 398 HA LYS 51 HA LYS 51 -0.257 -11.680 -1.446 399 1HB LYS 51 2HB LYS 51 1.028 -9.645 -1.753 400 2HB LYS 51 1HB LYS 51 1.785 -9.847 -0.181 401 1HG LYS 51 2HG LYS 51 3.086 -11.644 -0.905 402 2HG LYS 51 1HG LYS 51 2.072 -11.923 -2.322 403 1HD LYS 51 2HD LYS 51 2.898 -9.985 -3.407 404 2HD LYS 51 1HD LYS 51 3.668 -9.400 -1.930 405 1HE LYS 51 2HE LYS 51 4.521 -12.065 -2.861 406 2HE LYS 51 1HE LYS 51 4.973 -10.710 -3.894 407 1HZ LYS 51 1HZ LYS 51 6.723 -10.983 -2.376 408 2HZ LYS 51 2HZ LYS 51 5.682 -11.149 -1.054 409 3HZ LYS 51 3HZ LYS 51 5.860 -9.645 -1.805 410 H SER 52 H SER 52 0.977 -11.016 1.830 411 HA SER 52 HA SER 52 0.729 -13.661 2.706 412 1HB SER 52 2HB SER 52 2.895 -13.436 1.006 413 2HB SER 52 1HB SER 52 3.629 -13.279 2.602 414 HG SER 52 HG SER 52 1.888 -15.369 1.790 415 H GLY 53 H GLY 53 1.958 -14.035 4.787 416 1HA GLY 53 2HA GLY 53 1.372 -12.052 6.612 417 2HA GLY 53 1HA GLY 53 2.503 -13.345 6.966 418 H ALA 54 H ALA 54 4.021 -11.994 4.437 419 HA ALA 54 HA ALA 54 5.844 -10.579 6.105 420 1HB ALA 54 1HB ALA 54 7.282 -10.706 4.374 421 2HB ALA 54 2HB ALA 54 6.062 -10.241 3.189 422 3HB ALA 54 3HB ALA 54 6.124 -11.899 3.787 423 H PHE 55 H PHE 55 2.930 -9.594 5.007 424 HA PHE 55 HA PHE 55 3.759 -6.785 5.094 425 1HB PHE 55 2HB PHE 55 1.726 -7.844 3.126 426 2HB PHE 55 1HB PHE 55 2.278 -6.183 3.278 427 HD1 PHE 55 1HD PHE 55 2.952 -9.439 1.881 428 HD2 PHE 55 2HD PHE 55 4.577 -5.587 2.629 429 HE1 PHE 55 1HE PHE 55 4.710 -9.866 0.214 430 HE2 PHE 55 2HE PHE 55 6.339 -5.996 0.964 431 HZ PHE 55 HZ PHE 55 6.409 -8.141 -0.249 432 H GLU 56 H GLU 56 2.077 -5.310 5.687 433 HA GLU 56 HA GLU 56 -0.403 -6.399 6.718 434 1HB GLU 56 2HB GLU 56 1.260 -6.669 8.571 435 2HB GLU 56 1HB GLU 56 1.495 -4.927 8.558 436 1HG GLU 56 2HG GLU 56 -0.071 -4.928 10.148 437 2HG GLU 56 1HG GLU 56 -1.197 -5.079 8.799 438 H ILE 57 H ILE 57 -1.938 -5.043 6.098 439 HA ILE 57 HA ILE 57 -1.307 -2.418 5.147 440 HB ILE 57 HB ILE 57 -3.055 -3.805 4.091 441 1HG1 ILE 57 2HG1 ILE 57 -4.543 -1.429 5.087 442 2HG1 ILE 57 1HG1 ILE 57 -2.989 -1.140 4.312 443 1HG2 ILE 57 1HG2 ILE 57 -3.953 -4.212 6.682 444 2HG2 ILE 57 2HG2 ILE 57 -4.757 -4.714 5.197 445 3HG2 ILE 57 3HG2 ILE 57 -5.182 -3.180 5.953 446 1HD1 ILE 57 1HD1 ILE 57 -5.053 -2.844 2.985 447 2HD1 ILE 57 2HD1 ILE 57 -3.718 -1.940 2.268 448 3HD1 ILE 57 3HD1 ILE 57 -5.130 -1.084 2.889 449 H LEU 58 H LEU 58 -0.765 -0.929 6.613 450 HA LEU 58 HA LEU 58 -1.570 -0.761 9.257 451 1HB LEU 58 2HB LEU 58 -0.196 0.924 7.346 452 2HB LEU 58 1HB LEU 58 -1.188 1.882 8.427 453 HG LEU 58 HG LEU 58 -0.026 1.026 10.356 454 1HD1 LEU 58 1HD1 LEU 58 1.642 -0.634 10.302 455 2HD1 LEU 58 2HD1 LEU 58 1.726 -0.604 8.541 456 3HD1 LEU 58 3HD1 LEU 58 0.308 -1.276 9.345 457 1HD2 LEU 58 1HD2 LEU 58 2.400 1.635 9.584 458 2HD2 LEU 58 2HD2 LEU 58 1.135 2.863 9.616 459 3HD2 LEU 58 3HD2 LEU 58 1.584 2.099 8.092 460 H ALA 59 H ALA 59 -2.841 1.119 10.205 461 HA ALA 59 HA ALA 59 -5.534 0.903 9.355 462 1HB ALA 59 1HB ALA 59 -4.332 2.860 11.308 463 2HB ALA 59 2HB ALA 59 -4.885 1.232 11.699 464 3HB ALA 59 3HB ALA 59 -6.040 2.448 11.154 465 H ASN 60 H ASN 60 -2.998 3.141 8.590 466 HA ASN 60 HA ASN 60 -4.897 5.056 7.462 467 1HB ASN 60 2HB ASN 60 -2.988 6.540 7.182 468 2HB ASN 60 1HB ASN 60 -3.035 5.926 8.832 469 1HD2 ASN 60 1HD2 ASN 60 -1.567 4.226 9.401 470 2HD2 ASN 60 2HD2 ASN 60 -0.061 4.072 8.570 471 H GLY 61 H GLY 61 -4.604 2.450 6.247 472 1HA GLY 61 2HA GLY 61 -4.414 1.520 4.158 473 2HA GLY 61 1HA GLY 61 -4.529 3.164 3.550 474 H ASP 62 H ASP 62 -1.952 2.087 5.660 475 HA ASP 62 HA ASP 62 -0.046 2.652 3.512 476 1HB ASP 62 2HB ASP 62 -0.049 3.440 6.128 477 2HB ASP 62 1HB ASP 62 1.020 2.043 6.187 478 H LEU 63 H LEU 63 2.054 1.284 3.719 479 HA LEU 63 HA LEU 63 1.239 -1.575 3.817 480 1HB LEU 63 2HB LEU 63 1.907 -0.561 1.583 481 2HB LEU 63 1HB LEU 63 3.527 -0.405 2.235 482 HG LEU 63 HG LEU 63 3.328 -2.960 2.685 483 1HD1 LEU 63 1HD1 LEU 63 1.799 -4.184 1.480 484 2HD1 LEU 63 2HD1 LEU 63 1.524 -2.887 0.313 485 3HD1 LEU 63 3HD1 LEU 63 0.833 -2.778 1.932 486 1HD2 LEU 63 1HD2 LEU 63 4.978 -2.380 1.205 487 2HD2 LEU 63 2HD2 LEU 63 3.870 -1.513 0.141 488 3HD2 LEU 63 3HD2 LEU 63 3.894 -3.276 0.140 489 H LYS 64 H LYS 64 2.140 -2.715 5.426 490 HA LYS 64 HA LYS 64 4.627 -1.697 6.619 491 1HB LYS 64 2HB LYS 64 2.235 -2.376 7.820 492 2HB LYS 64 1HB LYS 64 3.228 -3.799 8.097 493 1HG LYS 64 2HG LYS 64 4.418 -1.140 8.664 494 2HG LYS 64 1HG LYS 64 3.201 -1.768 9.778 495 1HD LYS 64 2HD LYS 64 4.513 -3.811 10.064 496 2HD LYS 64 1HD LYS 64 5.726 -3.194 8.939 497 1HE LYS 64 2HE LYS 64 6.411 -2.884 11.271 498 2HE LYS 64 1HE LYS 64 6.203 -1.342 10.441 499 1HZ LYS 64 1HZ LYS 64 3.983 -2.487 12.001 500 2HZ LYS 64 2HZ LYS 64 4.293 -0.869 11.614 501 3HZ LYS 64 3HZ LYS 64 5.226 -1.650 12.788 502 H ILE 65 H ILE 65 6.331 -2.670 5.717 503 HA ILE 65 HA ILE 65 6.205 -5.454 4.886 504 HB ILE 65 HB ILE 65 8.704 -3.794 4.855 505 1HG1 ILE 65 2HG1 ILE 65 6.357 -3.607 2.955 506 2HG1 ILE 65 1HG1 ILE 65 7.117 -2.307 3.858 507 1HG2 ILE 65 1HG2 ILE 65 8.511 -5.254 2.525 508 2HG2 ILE 65 2HG2 ILE 65 7.792 -6.313 3.735 509 3HG2 ILE 65 3HG2 ILE 65 9.430 -5.700 3.960 510 1HD1 ILE 65 1HD1 ILE 65 7.751 -3.341 1.249 511 2HD1 ILE 65 2HD1 ILE 65 9.162 -3.363 2.307 512 3HD1 ILE 65 3HD1 ILE 65 8.285 -1.856 2.038 513 H LYS 66 H LYS 66 7.123 -7.152 5.961 514 HA LYS 66 HA LYS 66 8.070 -6.621 8.653 515 1HB LYS 66 2HB LYS 66 6.348 -8.343 8.261 516 2HB LYS 66 1HB LYS 66 7.506 -9.258 7.304 517 1HG LYS 66 2HG LYS 66 8.913 -8.990 9.570 518 2HG LYS 66 1HG LYS 66 7.275 -8.957 10.227 519 1HD LYS 66 2HD LYS 66 6.797 -11.101 9.490 520 2HD LYS 66 1HD LYS 66 8.048 -11.059 8.246 521 1HE LYS 66 2HE LYS 66 9.739 -11.525 9.743 522 2HE LYS 66 1HE LYS 66 8.832 -10.902 11.121 523 1HZ LYS 66 1HZ LYS 66 8.067 -13.371 9.672 524 2HZ LYS 66 2HZ LYS 66 7.490 -12.827 11.165 525 3HZ LYS 66 3HZ LYS 66 9.084 -13.375 11.024 526 H ASN 67 H ASN 67 9.254 -8.122 5.716 527 HA ASN 67 HA ASN 67 11.983 -7.824 6.703 528 1HB ASN 67 2HB ASN 67 11.368 -10.125 7.269 529 2HB ASN 67 1HB ASN 67 10.867 -10.417 5.606 530 1HD2 ASN 67 1HD2 ASN 67 13.281 -10.881 7.762 531 2HD2 ASN 67 2HD2 ASN 67 14.609 -11.091 6.677 532 H LEU 68 H LEU 68 12.829 -6.492 5.227 533 HA LEU 68 HA LEU 68 11.929 -6.164 2.617 534 1HB LEU 68 2HB LEU 68 14.515 -5.494 3.980 535 2HB LEU 68 1HB LEU 68 14.248 -5.120 2.287 536 HG LEU 68 HG LEU 68 12.165 -4.235 4.179 537 1HD1 LEU 68 1HD1 LEU 68 14.855 -2.883 3.998 538 2HD1 LEU 68 2HD1 LEU 68 14.187 -3.684 5.419 539 3HD1 LEU 68 3HD1 LEU 68 13.425 -2.225 4.792 540 1HD2 LEU 68 1HD2 LEU 68 12.835 -3.797 1.515 541 2HD2 LEU 68 2HD2 LEU 68 13.185 -2.280 2.342 542 3HD2 LEU 68 3HD2 LEU 68 11.577 -2.995 2.449 543 H THR 69 H THR 69 12.662 -6.826 0.651 544 HA THR 69 HA THR 69 14.741 -8.857 0.489 545 HB THR 69 HB THR 69 13.089 -10.275 -0.930 546 HG1 THR 69 1HG THR 69 11.250 -9.200 -1.006 547 1HG2 THR 69 1HG2 THR 69 13.984 -11.109 1.152 548 2HG2 THR 69 2HG2 THR 69 12.267 -11.492 1.023 549 3HG2 THR 69 3HG2 THR 69 12.800 -10.170 2.062 550 H ARG 70 H ARG 70 15.365 -9.368 -1.715 551 HA ARG 70 HA ARG 70 15.793 -7.161 -3.317 552 1HB ARG 70 2HB ARG 70 15.777 -10.105 -3.920 553 2HB ARG 70 1HB ARG 70 16.114 -8.930 -5.182 554 1HG ARG 70 2HG ARG 70 17.646 -9.101 -2.599 555 2HG ARG 70 1HG ARG 70 18.133 -9.897 -4.096 556 1HD ARG 70 2HD ARG 70 17.515 -7.028 -4.325 557 2HD ARG 70 1HD ARG 70 18.933 -7.421 -3.355 558 HE ARG 70 HE ARG 70 18.687 -7.607 -6.193 559 1HH1 ARG 70 1HH1 ARG 70 20.273 -9.005 -3.416 560 2HH1 ARG 70 2HH1 ARG 70 21.630 -9.580 -4.323 561 1HH2 ARG 70 1HH2 ARG 70 20.472 -8.363 -7.388 562 2HH2 ARG 70 2HH2 ARG 70 21.745 -9.216 -6.579 563 H ASP 71 H ASP 71 13.407 -9.738 -3.952 564 HA ASP 71 HA ASP 71 12.197 -8.595 -6.168 565 1HB ASP 71 2HB ASP 71 11.768 -10.899 -5.429 566 2HB ASP 71 1HB ASP 71 10.895 -10.290 -4.026 567 H ASP 72 H ASP 72 11.987 -7.664 -2.849 568 HA ASP 72 HA ASP 72 9.516 -6.213 -3.145 569 1HB ASP 72 2HB ASP 72 10.864 -7.229 -0.986 570 2HB ASP 72 1HB ASP 72 11.227 -5.510 -0.861 571 H SER 73 H SER 73 12.780 -5.606 -3.888 572 HA SER 73 HA SER 73 12.640 -2.739 -3.538 573 1HB SER 73 2HB SER 73 14.899 -2.695 -4.060 574 2HB SER 73 1HB SER 73 14.742 -4.327 -3.412 575 HG SER 73 HG SER 73 15.634 -3.645 -5.775 576 H GLY 74 H GLY 74 12.294 -1.219 -5.106 577 1HA GLY 74 2HA GLY 74 12.581 -1.112 -7.717 578 2HA GLY 74 1HA GLY 74 11.244 -2.244 -7.635 579 H THR 75 H THR 75 9.345 -1.190 -8.145 580 HA THR 75 HA THR 75 8.886 1.444 -6.874 581 HB THR 75 HB THR 75 8.775 0.696 -9.763 582 HG1 THR 75 1HG THR 75 9.576 2.805 -9.941 583 1HG2 THR 75 1HG2 THR 75 6.973 2.787 -8.568 584 2HG2 THR 75 2HG2 THR 75 6.466 1.306 -9.380 585 3HG2 THR 75 3HG2 THR 75 7.301 2.566 -10.287 586 H TYR 76 H TYR 76 6.989 1.596 -5.861 587 HA TYR 76 HA TYR 76 5.018 -0.547 -6.270 588 1HB TYR 76 2HB TYR 76 5.589 1.271 -3.933 589 2HB TYR 76 1HB TYR 76 4.097 0.344 -4.047 590 HD1 TYR 76 1HD TYR 76 4.037 -1.759 -3.078 591 HD2 TYR 76 2HD TYR 76 7.791 -0.146 -4.259 592 HE1 TYR 76 1HE TYR 76 5.177 -3.705 -2.093 593 HE2 TYR 76 2HE TYR 76 8.940 -2.086 -3.276 594 HH TYR 76 HH TYR 76 8.512 -4.343 -2.619 595 H ASN 77 H ASN 77 2.785 -0.025 -6.440 596 HA ASN 77 HA ASN 77 2.205 2.786 -7.079 597 1HB ASN 77 2HB ASN 77 1.967 0.414 -8.823 598 2HB ASN 77 1HB ASN 77 0.574 1.491 -8.826 599 1HD2 ASN 77 1HD2 ASN 77 3.403 0.838 -10.314 600 2HD2 ASN 77 2HD2 ASN 77 3.745 2.388 -10.996 601 H VAL 78 H VAL 78 0.550 3.535 -5.937 602 HA VAL 78 HA VAL 78 -1.382 1.599 -4.854 603 HB VAL 78 HB VAL 78 -1.440 4.341 -3.764 604 1HG1 VAL 78 1HG1 VAL 78 -2.521 3.299 -2.132 605 2HG1 VAL 78 2HG1 VAL 78 -1.190 2.166 -1.885 606 3HG1 VAL 78 3HG1 VAL 78 -2.424 1.830 -3.099 607 1HG2 VAL 78 1HG2 VAL 78 0.862 4.367 -3.668 608 2HG2 VAL 78 2HG2 VAL 78 0.990 2.615 -3.505 609 3HG2 VAL 78 3HG2 VAL 78 0.462 3.594 -2.134 610 H THR 79 H THR 79 -3.426 1.659 -5.516 611 HA THR 79 HA THR 79 -4.347 4.030 -7.002 612 HB THR 79 HB THR 79 -5.912 1.626 -7.489 613 HG1 THR 79 1HG THR 79 -3.136 1.559 -8.040 614 1HG2 THR 79 1HG2 THR 79 -4.340 2.740 -9.684 615 2HG2 THR 79 2HG2 THR 79 -5.372 3.905 -8.855 616 3HG2 THR 79 3HG2 THR 79 -6.074 2.445 -9.554 617 H VAL 80 H VAL 80 -5.319 5.140 -5.396 618 HA VAL 80 HA VAL 80 -7.106 3.806 -3.535 619 HB VAL 80 HB VAL 80 -6.291 6.707 -3.791 620 1HG1 VAL 80 1HG1 VAL 80 -8.550 6.460 -2.826 621 2HG1 VAL 80 2HG1 VAL 80 -7.377 7.106 -1.679 622 3HG1 VAL 80 3HG1 VAL 80 -7.875 5.415 -1.577 623 1HG2 VAL 80 1HG2 VAL 80 -5.560 5.309 -1.350 624 2HG2 VAL 80 2HG2 VAL 80 -4.566 6.268 -2.445 625 3HG2 VAL 80 3HG2 VAL 80 -4.857 4.563 -2.785 626 H TYR 81 H TYR 81 -9.254 3.738 -3.673 627 HA TYR 81 HA TYR 81 -10.579 5.473 -5.644 628 1HB TYR 81 2HB TYR 81 -11.179 2.601 -5.008 629 2HB TYR 81 1HB TYR 81 -12.201 3.618 -5.987 630 HD1 TYR 81 1HD TYR 81 -11.335 4.496 -8.172 631 HD2 TYR 81 2HD TYR 81 -9.249 1.543 -5.929 632 HE1 TYR 81 1HE TYR 81 -10.037 3.901 -10.174 633 HE2 TYR 81 2HE TYR 81 -7.948 0.939 -7.925 634 HH TYR 81 HH TYR 81 -8.760 2.051 -11.057 635 H SER 82 H SER 82 -12.728 6.006 -5.222 636 HA SER 82 HA SER 82 -13.290 6.387 -2.401 637 1HB SER 82 2HB SER 82 -15.372 7.494 -3.947 638 2HB SER 82 1HB SER 82 -14.050 8.343 -3.146 639 HG SER 82 HG SER 82 -14.189 8.729 -5.436 640 H THR 83 H THR 83 -15.758 6.340 -1.882 641 HA THR 83 HA THR 83 -16.570 3.648 -1.894 642 HB THR 83 HB THR 83 -18.772 4.614 -1.050 643 HG1 THR 83 1HG THR 83 -18.670 6.839 -0.515 644 1HG2 THR 83 1HG2 THR 83 -17.926 5.281 1.082 645 2HG2 THR 83 2HG2 THR 83 -16.330 5.598 0.401 646 3HG2 THR 83 3HG2 THR 83 -16.945 3.947 0.478 647 H ASN 84 H ASN 84 -17.059 6.186 -4.172 648 HA ASN 84 HA ASN 84 -19.264 4.773 -5.468 649 1HB ASN 84 2HB ASN 84 -18.094 7.517 -5.720 650 2HB ASN 84 1HB ASN 84 -19.027 6.849 -7.057 651 1HD2 ASN 84 1HD2 ASN 84 -19.230 7.146 -3.525 652 2HD2 ASN 84 2HD2 ASN 84 -20.903 7.572 -3.488 653 H GLY 85 H GLY 85 -16.430 3.798 -5.418 654 1HA GLY 85 2HA GLY 85 -14.951 2.791 -6.853 655 2HA GLY 85 1HA GLY 85 -16.295 2.724 -7.982 656 H THR 86 H THR 86 -15.114 5.777 -6.796 657 HA THR 86 HA THR 86 -14.260 6.446 -9.512 658 HB THR 86 HB THR 86 -14.251 8.539 -7.424 659 HG1 THR 86 1HG THR 86 -16.625 7.230 -8.242 660 1HG2 THR 86 1HG2 THR 86 -14.130 9.619 -9.383 661 2HG2 THR 86 2HG2 THR 86 -15.883 9.428 -9.366 662 3HG2 THR 86 3HG2 THR 86 -14.882 8.301 -10.282 663 H ARG 87 H ARG 87 -12.286 7.674 -9.840 664 HA ARG 87 HA ARG 87 -10.097 6.541 -8.360 665 1HB ARG 87 2HB ARG 87 -9.654 8.748 -10.313 666 2HB ARG 87 1HB ARG 87 -8.727 7.277 -10.054 667 1HG ARG 87 2HG ARG 87 -9.661 6.580 -11.954 668 2HG ARG 87 1HG ARG 87 -11.100 6.291 -10.974 669 1HD ARG 87 2HD ARG 87 -12.213 8.043 -11.859 670 2HD ARG 87 1HD ARG 87 -10.766 9.047 -11.952 671 HE ARG 87 HE ARG 87 -10.695 6.940 -13.860 672 1HH1 ARG 87 1HH1 ARG 87 -12.106 10.068 -13.228 673 2HH1 ARG 87 2HH1 ARG 87 -12.314 10.452 -14.904 674 1HH2 ARG 87 1HH2 ARG 87 -10.968 7.442 -16.065 675 2HH2 ARG 87 2HH2 ARG 87 -11.669 8.961 -16.515 676 H ILE 88 H ILE 88 -9.542 7.318 -6.445 677 HA ILE 88 HA ILE 88 -9.975 10.133 -5.827 678 HB ILE 88 HB ILE 88 -9.150 7.812 -4.082 679 1HG1 ILE 88 2HG1 ILE 88 -11.509 7.848 -4.858 680 2HG1 ILE 88 1HG1 ILE 88 -11.362 8.037 -3.113 681 1HG2 ILE 88 1HG2 ILE 88 -8.265 9.351 -2.722 682 2HG2 ILE 88 2HG2 ILE 88 -9.929 9.834 -2.392 683 3HG2 ILE 88 3HG2 ILE 88 -8.990 10.686 -3.618 684 1HD1 ILE 88 1HD1 ILE 88 -11.347 10.631 -4.074 685 2HD1 ILE 88 2HD1 ILE 88 -12.700 9.791 -3.315 686 3HD1 ILE 88 3HD1 ILE 88 -12.541 9.799 -5.072 687 H LEU 89 H LEU 89 -7.299 7.769 -5.720 688 HA LEU 89 HA LEU 89 -5.436 9.876 -6.403 689 1HB LEU 89 2HB LEU 89 -5.406 10.213 -4.068 690 2HB LEU 89 1HB LEU 89 -5.409 8.492 -3.737 691 HG LEU 89 HG LEU 89 -3.068 9.488 -5.239 692 1HD1 LEU 89 1HD1 LEU 89 -2.166 10.846 -3.695 693 2HD1 LEU 89 2HD1 LEU 89 -2.838 9.932 -2.346 694 3HD1 LEU 89 3HD1 LEU 89 -3.840 11.100 -3.207 695 1HD2 LEU 89 1HD2 LEU 89 -3.727 7.161 -4.023 696 2HD2 LEU 89 2HD2 LEU 89 -2.789 7.945 -2.752 697 3HD2 LEU 89 3HD2 LEU 89 -2.073 7.679 -4.342 698 H ASN 90 H ASN 90 -3.460 9.158 -7.154 699 HA ASN 90 HA ASN 90 -2.979 6.278 -7.316 700 1HB ASN 90 2HB ASN 90 -4.197 6.928 -9.389 701 2HB ASN 90 1HB ASN 90 -2.935 8.106 -9.734 702 1HD2 ASN 90 1HD2 ASN 90 -2.871 4.747 -8.599 703 2HD2 ASN 90 2HD2 ASN 90 -1.839 4.163 -9.855 704 H LYS 91 H LYS 91 -1.059 6.150 -6.300 705 HA LYS 91 HA LYS 91 0.991 8.145 -7.038 706 1HB LYS 91 2HB LYS 91 0.574 6.766 -4.387 707 2HB LYS 91 1HB LYS 91 1.954 7.782 -4.771 708 1HG LYS 91 2HG LYS 91 -0.721 8.959 -5.196 709 2HG LYS 91 1HG LYS 91 -0.222 8.681 -3.526 710 1HD LYS 91 2HD LYS 91 0.567 10.820 -3.910 711 2HD LYS 91 1HD LYS 91 1.986 9.838 -4.277 712 1HE LYS 91 2HE LYS 91 1.591 10.014 -6.624 713 2HE LYS 91 1HE LYS 91 0.016 10.761 -6.360 714 1HZ LYS 91 1HZ LYS 91 2.699 11.928 -6.033 715 2HZ LYS 91 2HZ LYS 91 1.401 12.551 -5.145 716 3HZ LYS 91 3HZ LYS 91 1.349 12.557 -6.836 717 H ALA 92 H ALA 92 3.201 7.482 -6.894 718 HA ALA 92 HA ALA 92 3.722 4.612 -7.076 719 1HB ALA 92 1HB ALA 92 4.629 6.598 -9.158 720 2HB ALA 92 2HB ALA 92 3.354 5.401 -9.378 721 3HB ALA 92 3HB ALA 92 5.019 4.878 -9.116 722 H LEU 93 H LEU 93 5.384 4.153 -5.765 723 HA LEU 93 HA LEU 93 7.387 6.265 -5.279 724 1HB LEU 93 2HB LEU 93 6.776 4.129 -3.271 725 2HB LEU 93 1HB LEU 93 7.520 5.697 -3.022 726 HG LEU 93 HG LEU 93 5.220 6.674 -3.656 727 1HD1 LEU 93 1HD1 LEU 93 3.906 5.007 -4.474 728 2HD1 LEU 93 2HD1 LEU 93 3.460 4.904 -2.770 729 3HD1 LEU 93 3HD1 LEU 93 4.635 3.773 -3.445 730 1HD2 LEU 93 1HD2 LEU 93 5.961 6.945 -1.449 731 2HD2 LEU 93 2HD2 LEU 93 5.843 5.220 -1.104 732 3HD2 LEU 93 3HD2 LEU 93 4.378 6.184 -1.297 733 H ASP 94 H ASP 94 9.521 5.485 -4.597 734 HA ASP 94 HA ASP 94 10.211 2.974 -5.969 735 1HB ASP 94 2HB ASP 94 11.602 5.604 -5.715 736 2HB ASP 94 1HB ASP 94 12.589 4.149 -5.831 737 H LEU 95 H LEU 95 10.959 1.344 -4.745 738 HA LEU 95 HA LEU 95 11.708 1.949 -1.973 739 1HB LEU 95 2HB LEU 95 9.856 0.205 -2.878 740 2HB LEU 95 1HB LEU 95 11.250 -0.852 -2.805 741 HG LEU 95 HG LEU 95 9.906 0.611 -0.547 742 1HD1 LEU 95 1HD1 LEU 95 10.216 -2.194 -1.430 743 2HD1 LEU 95 2HD1 LEU 95 8.846 -1.385 -0.670 744 3HD1 LEU 95 3HD1 LEU 95 10.230 -1.880 0.304 745 1HD2 LEU 95 1HD2 LEU 95 11.665 0.282 0.882 746 2HD2 LEU 95 2HD2 LEU 95 12.534 0.661 -0.602 747 3HD2 LEU 95 3HD2 LEU 95 12.359 -1.017 -0.090 748 H ARG 96 H ARG 96 13.887 2.278 -1.972 749 HA ARG 96 HA ARG 96 15.602 0.395 -3.403 750 1HB ARG 96 2HB ARG 96 16.978 2.533 -1.946 751 2HB ARG 96 1HB ARG 96 17.095 2.041 -3.622 752 1HG ARG 96 2HG ARG 96 14.917 3.789 -2.521 753 2HG ARG 96 1HG ARG 96 16.346 4.359 -3.379 754 1HD ARG 96 2HD ARG 96 14.069 2.705 -4.432 755 2HD ARG 96 1HD ARG 96 14.627 4.281 -4.991 756 HE ARG 96 HE ARG 96 16.769 2.720 -5.441 757 1HH1 ARG 96 1HH1 ARG 96 13.393 2.359 -6.253 758 2HH1 ARG 96 2HH1 ARG 96 13.709 1.441 -7.688 759 1HH2 ARG 96 1HH2 ARG 96 17.185 1.515 -7.327 760 2HH2 ARG 96 2HH2 ARG 96 15.860 0.963 -8.298 761 H ILE 97 H ILE 97 16.059 -1.376 -2.309 762 HA ILE 97 HA ILE 97 16.540 -1.175 0.587 763 HB ILE 97 HB ILE 97 16.034 -3.756 -0.857 764 1HG1 ILE 97 2HG1 ILE 97 13.815 -2.242 0.480 765 2HG1 ILE 97 1HG1 ILE 97 14.205 -1.915 -1.204 766 1HG2 ILE 97 1HG2 ILE 97 15.847 -4.674 1.192 767 2HG2 ILE 97 2HG2 ILE 97 15.070 -3.248 1.880 768 3HG2 ILE 97 3HG2 ILE 97 16.819 -3.281 1.668 769 1HD1 ILE 97 1HD1 ILE 97 13.694 -4.704 -0.264 770 2HD1 ILE 97 2HD1 ILE 97 13.574 -4.033 -1.890 771 3HD1 ILE 97 3HD1 ILE 97 12.368 -3.616 -0.675 772 H LEU 98 H LEU 98 18.628 -1.135 1.100 773 HA LEU 98 HA LEU 98 20.705 -1.970 -0.596 774 1HB LEU 98 2HB LEU 98 20.379 -0.880 2.121 775 2HB LEU 98 1HB LEU 98 21.827 -1.816 1.860 776 HG LEU 98 HG LEU 98 20.983 0.620 0.309 777 1HD1 LEU 98 1HD1 LEU 98 23.377 1.232 1.354 778 2HD1 LEU 98 2HD1 LEU 98 22.770 0.154 2.611 779 3HD1 LEU 98 3HD1 LEU 98 21.848 1.588 2.158 780 1HD2 LEU 98 1HD2 LEU 98 22.131 -0.582 -1.284 781 2HD2 LEU 98 2HD2 LEU 98 23.176 -1.364 -0.098 782 3HD2 LEU 98 3HD2 LEU 98 23.438 0.326 -0.526 783 H GLU 99 H GLU 99 21.376 -3.961 -0.964 784 HA GLU 99 HA GLU 99 20.351 -6.244 0.289 785 1HB GLU 99 2HB GLU 99 22.918 -5.962 -1.284 786 2HB GLU 99 1HB GLU 99 22.104 -7.478 -0.920 787 1HG GLU 99 2HG GLU 99 21.250 -7.178 -2.975 788 2HG GLU 99 1HG GLU 99 20.091 -6.173 -2.106 Start of MODEL 15 1 1H ARG 1 1H ARG 1 9.360 16.285 3.742 2 2H ARG 1 2H ARG 1 9.964 14.697 3.503 3 3H ARG 1 3H ARG 1 8.709 14.978 4.639 4 HA ARG 1 HA ARG 1 7.268 15.689 2.860 5 1HB ARG 1 2HB ARG 1 9.577 16.072 1.493 6 2HB ARG 1 1HB ARG 1 9.088 14.515 0.840 7 1HG ARG 1 2HG ARG 1 7.966 15.785 -0.630 8 2HG ARG 1 1HG ARG 1 6.760 15.854 0.656 9 1HD ARG 1 2HD ARG 1 8.972 17.862 0.568 10 2HD ARG 1 1HD ARG 1 7.571 18.049 -0.487 11 HE ARG 1 HE ARG 1 7.682 18.600 2.287 12 1HH1 ARG 1 1HH1 ARG 1 5.569 17.296 -0.164 13 2HH1 ARG 1 2HH1 ARG 1 4.118 17.734 0.675 14 1HH2 ARG 1 1HH2 ARG 1 5.777 19.178 3.393 15 2HH2 ARG 1 2HH2 ARG 1 4.237 18.803 2.694 16 H ASP 2 H ASP 2 6.765 13.867 0.881 17 HA ASP 2 HA ASP 2 6.916 11.248 2.207 18 1HB ASP 2 2HB ASP 2 4.638 12.689 2.261 19 2HB ASP 2 1HB ASP 2 4.427 11.864 0.721 20 H SER 3 H SER 3 5.578 12.628 -0.800 21 HA SER 3 HA SER 3 6.127 10.389 -2.388 22 1HB SER 3 2HB SER 3 4.736 12.677 -2.778 23 2HB SER 3 1HB SER 3 6.176 13.028 -3.732 24 HG SER 3 HG SER 3 4.129 11.560 -4.440 25 H GLY 4 H GLY 4 8.041 9.558 -2.880 26 1HA GLY 4 2HA GLY 4 10.041 10.775 -4.306 27 2HA GLY 4 1HA GLY 4 10.469 11.062 -2.626 28 H THR 5 H THR 5 12.068 9.592 -4.393 29 HA THR 5 HA THR 5 11.678 6.805 -4.212 30 HB THR 5 HB THR 5 14.227 8.390 -4.581 31 HG1 THR 5 1HG THR 5 13.557 8.620 -6.538 32 1HG2 THR 5 1HG2 THR 5 14.339 5.899 -5.895 33 2HG2 THR 5 2HG2 THR 5 13.903 5.598 -4.210 34 3HG2 THR 5 3HG2 THR 5 15.367 6.505 -4.596 35 H VAL 6 H VAL 6 11.740 5.561 -2.456 36 HA VAL 6 HA VAL 6 13.062 6.503 -0.077 37 HB VAL 6 HB VAL 6 11.916 4.462 0.857 38 1HG1 VAL 6 1HG1 VAL 6 10.374 6.797 -0.195 39 2HG1 VAL 6 2HG1 VAL 6 11.096 6.617 1.404 40 3HG1 VAL 6 3HG1 VAL 6 9.702 5.636 0.950 41 1HG2 VAL 6 1HG2 VAL 6 11.288 4.030 -1.819 42 2HG2 VAL 6 2HG2 VAL 6 9.781 4.394 -0.983 43 3HG2 VAL 6 3HG2 VAL 6 10.815 3.083 -0.415 44 H TRP 7 H TRP 7 13.820 4.551 1.302 45 HA TRP 7 HA TRP 7 15.386 2.616 -0.214 46 1HB TRP 7 2HB TRP 7 16.583 4.647 1.681 47 2HB TRP 7 1HB TRP 7 17.436 3.211 1.128 48 HD1 TRP 7 HD TRP 7 15.946 6.486 -0.268 49 HE1 TRP 7 1HE TRP 7 17.207 7.084 -2.431 50 HE3 TRP 7 3HE TRP 7 18.872 2.315 -0.680 51 HZ2 TRP 7 2HZ TRP 7 19.181 5.939 -4.091 52 HZ3 TRP 7 3HZ TRP 7 20.421 2.145 -2.585 53 HH2 TRP 7 HH TRP 7 20.571 3.920 -4.254 54 H GLY 8 H GLY 8 16.364 0.948 1.221 55 1HA GLY 8 2HA GLY 8 15.550 0.796 3.967 56 2HA GLY 8 1HA GLY 8 14.551 -0.218 2.937 57 H ALA 9 H ALA 9 15.765 -1.660 4.729 58 HA ALA 9 HA ALA 9 18.139 -2.761 3.370 59 1HB ALA 9 1HB ALA 9 18.980 -3.469 5.559 60 2HB ALA 9 2HB ALA 9 17.616 -2.662 6.336 61 3HB ALA 9 3HB ALA 9 18.812 -1.717 5.449 62 H LEU 10 H LEU 10 18.139 -4.878 2.921 63 HA LEU 10 HA LEU 10 15.761 -6.355 2.941 64 1HB LEU 10 2HB LEU 10 18.228 -6.643 1.792 65 2HB LEU 10 1HB LEU 10 18.241 -7.941 2.969 66 HG LEU 10 HG LEU 10 15.942 -8.587 1.933 67 1HD1 LEU 10 1HD1 LEU 10 16.365 -7.962 -0.664 68 2HD1 LEU 10 2HD1 LEU 10 16.913 -6.483 0.122 69 3HD1 LEU 10 3HD1 LEU 10 15.277 -7.077 0.405 70 1HD2 LEU 10 1HD2 LEU 10 17.012 -10.148 0.610 71 2HD2 LEU 10 2HD2 LEU 10 18.272 -9.692 1.758 72 3HD2 LEU 10 3HD2 LEU 10 18.281 -9.023 0.126 73 H GLY 11 H GLY 11 14.828 -7.711 4.339 74 1HA GLY 11 2HA GLY 11 14.627 -9.128 6.175 75 2HA GLY 11 1HA GLY 11 16.309 -8.811 6.572 76 H HIS 12 H HIS 12 15.092 -5.818 6.102 77 HA HIS 12 HA HIS 12 14.418 -5.545 8.947 78 1HB HIS 12 2HB HIS 12 16.226 -4.173 8.776 79 2HB HIS 12 1HB HIS 12 16.042 -3.974 7.038 80 HD1 HIS 12 1HD HIS 12 14.672 -2.028 6.210 81 HD2 HIS 12 2HD HIS 12 14.969 -2.208 10.343 82 HE1 HIS 12 1HE HIS 12 13.971 0.254 7.034 83 HE2 HIS 12 2HE HIS 12 14.046 0.076 9.548 84 H GLY 13 H GLY 13 12.911 -3.628 9.366 85 1HA GLY 13 2HA GLY 13 10.528 -4.072 7.805 86 2HA GLY 13 1HA GLY 13 10.674 -3.027 9.211 87 H ILE 14 H ILE 14 9.174 -1.813 7.649 88 HA ILE 14 HA ILE 14 10.210 0.569 6.909 89 HB ILE 14 HB ILE 14 11.655 -0.623 5.286 90 1HG1 ILE 14 2HG1 ILE 14 10.514 0.732 3.214 91 2HG1 ILE 14 1HG1 ILE 14 9.769 1.522 4.600 92 1HG2 ILE 14 1HG2 ILE 14 10.501 -2.458 4.519 93 2HG2 ILE 14 2HG2 ILE 14 10.407 -1.357 3.144 94 3HG2 ILE 14 3HG2 ILE 14 9.027 -1.538 4.223 95 1HD1 ILE 14 1HD1 ILE 14 12.721 1.098 4.540 96 2HD1 ILE 14 2HD1 ILE 14 11.777 2.329 5.383 97 3HD1 ILE 14 3HD1 ILE 14 11.993 2.427 3.636 98 H ASP 15 H ASP 15 8.579 1.939 6.383 99 HA ASP 15 HA ASP 15 6.013 0.698 5.632 100 1HB ASP 15 2HB ASP 15 6.080 1.631 7.937 101 2HB ASP 15 1HB ASP 15 6.423 3.217 7.254 102 H LEU 16 H LEU 16 5.336 1.197 3.671 103 HA LEU 16 HA LEU 16 6.463 3.425 2.217 104 1HB LEU 16 2HB LEU 16 5.002 0.988 1.602 105 2HB LEU 16 1HB LEU 16 4.332 2.353 0.740 106 HG LEU 16 HG LEU 16 5.937 2.249 -0.798 107 1HD1 LEU 16 1HD1 LEU 16 7.470 3.576 0.451 108 2HD1 LEU 16 2HD1 LEU 16 8.370 2.237 -0.257 109 3HD1 LEU 16 3HD1 LEU 16 7.938 2.199 1.451 110 1HD2 LEU 16 1HD2 LEU 16 5.799 -0.046 -0.822 111 2HD2 LEU 16 2HD2 LEU 16 6.527 -0.214 0.775 112 3HD2 LEU 16 3HD2 LEU 16 7.530 0.213 -0.611 113 H ASP 17 H ASP 17 5.741 5.372 2.875 114 HA ASP 17 HA ASP 17 2.967 5.738 3.612 115 1HB ASP 17 2HB ASP 17 5.350 7.581 3.590 116 2HB ASP 17 1HB ASP 17 3.723 8.139 3.971 117 H ILE 18 H ILE 18 1.419 6.369 2.327 118 HA ILE 18 HA ILE 18 1.904 7.023 -0.423 119 HB ILE 18 HB ILE 18 -0.664 7.013 1.158 120 1HG1 ILE 18 2HG1 ILE 18 0.864 4.915 -0.316 121 2HG1 ILE 18 1HG1 ILE 18 0.033 4.798 1.220 122 1HG2 ILE 18 1HG2 ILE 18 -0.615 8.351 -1.005 123 2HG2 ILE 18 2HG2 ILE 18 -1.849 7.100 -0.869 124 3HG2 ILE 18 3HG2 ILE 18 -0.399 6.805 -1.826 125 1HD1 ILE 18 1HD1 ILE 18 -1.159 4.747 -1.515 126 2HD1 ILE 18 2HD1 ILE 18 -2.122 5.018 -0.060 127 3HD1 ILE 18 3HD1 ILE 18 -1.224 3.512 -0.256 128 HA PRO 19 HA PRO 19 2.340 11.427 0.371 129 1HB PRO 19 2HB PRO 19 1.867 11.559 -2.559 130 2HB PRO 19 1HB PRO 19 3.184 12.239 -1.597 131 1HG PRO 19 2HG PRO 19 3.592 10.095 -3.118 132 2HG PRO 19 1HG PRO 19 4.338 10.224 -1.514 133 1HD PRO 19 2HD PRO 19 1.947 8.644 -2.371 134 2HD PRO 19 1HD PRO 19 3.251 8.192 -1.256 135 H ASN 20 H ASN 20 0.855 12.810 0.995 136 HA ASN 20 HA ASN 20 -1.212 13.682 1.437 137 1HB ASN 20 2HB ASN 20 -0.689 14.002 -1.472 138 2HB ASN 20 1HB ASN 20 -2.280 14.457 -0.871 139 1HD2 ASN 20 1HD2 ASN 20 1.021 14.749 0.402 140 2HD2 ASN 20 2HD2 ASN 20 0.938 16.449 0.696 141 H PHE 21 H PHE 21 -1.860 11.299 2.008 142 HA PHE 21 HA PHE 21 -4.380 10.804 0.633 143 1HB PHE 21 2HB PHE 21 -3.163 9.159 -0.430 144 2HB PHE 21 1HB PHE 21 -2.108 8.890 0.948 145 HD1 PHE 21 1HD PHE 21 -2.377 6.964 2.123 146 HD2 PHE 21 2HD PHE 21 -5.688 8.556 0.008 147 HE1 PHE 21 1HE PHE 21 -3.720 5.009 2.788 148 HE2 PHE 21 2HE PHE 21 -7.055 6.610 0.671 149 HZ PHE 21 HZ PHE 21 -6.067 4.833 2.059 150 H GLN 22 H GLN 22 -5.973 9.835 1.932 151 HA GLN 22 HA GLN 22 -5.308 9.394 4.751 152 1HB GLN 22 2HB GLN 22 -7.197 11.434 3.657 153 2HB GLN 22 1HB GLN 22 -7.599 10.639 5.172 154 1HG GLN 22 2HG GLN 22 -6.413 12.268 6.119 155 2HG GLN 22 1HG GLN 22 -5.004 11.348 5.594 156 1HE2 GLN 22 1HE2 GLN 22 -6.342 14.328 5.633 157 2HE2 GLN 22 2HE2 GLN 22 -5.539 15.034 4.275 158 H MET 23 H MET 23 -6.005 7.438 5.267 159 HA MET 23 HA MET 23 -8.035 6.116 3.703 160 1HB MET 23 2HB MET 23 -5.990 4.963 4.583 161 2HB MET 23 1HB MET 23 -6.655 5.130 6.203 162 1HG MET 23 2HG MET 23 -8.449 3.888 4.240 163 2HG MET 23 1HG MET 23 -6.993 2.970 4.620 164 1HE MET 23 1HE MET 23 -10.213 4.236 5.344 165 2HE MET 23 2HE MET 23 -10.532 4.130 7.076 166 3HE MET 23 3HE MET 23 -10.731 2.706 6.053 167 H THR 24 H THR 24 -9.814 7.528 4.199 168 HA THR 24 HA THR 24 -10.931 7.110 6.893 169 HB THR 24 HB THR 24 -12.406 9.162 5.908 170 HG1 THR 24 1HG THR 24 -11.406 9.768 4.149 171 1HG2 THR 24 1HG2 THR 24 -9.772 9.924 7.039 172 2HG2 THR 24 2HG2 THR 24 -10.858 8.939 8.018 173 3HG2 THR 24 3HG2 THR 24 -11.388 10.514 7.426 174 H ASP 25 H ASP 25 -13.516 7.667 6.592 175 HA ASP 25 HA ASP 25 -14.622 5.357 5.504 176 1HB ASP 25 2HB ASP 25 -15.824 8.011 6.265 177 2HB ASP 25 1HB ASP 25 -16.814 6.703 5.626 178 H ASP 26 H ASP 26 -13.967 8.458 4.046 179 HA ASP 26 HA ASP 26 -15.600 8.204 1.764 180 1HB ASP 26 2HB ASP 26 -14.167 10.225 2.732 181 2HB ASP 26 1HB ASP 26 -12.989 9.633 1.565 182 H ILE 27 H ILE 27 -12.500 6.861 2.594 183 HA ILE 27 HA ILE 27 -11.858 6.089 -0.102 184 HB ILE 27 HB ILE 27 -10.576 5.405 2.544 185 1HG1 ILE 27 2HG1 ILE 27 -10.326 7.745 2.032 186 2HG1 ILE 27 1HG1 ILE 27 -8.802 6.952 1.696 187 1HG2 ILE 27 1HG2 ILE 27 -9.565 4.854 -0.243 188 2HG2 ILE 27 2HG2 ILE 27 -10.146 3.647 0.905 189 3HG2 ILE 27 3HG2 ILE 27 -8.684 4.568 1.256 190 1HD1 ILE 27 1HD1 ILE 27 -9.009 8.284 -0.144 191 2HD1 ILE 27 2HD1 ILE 27 -10.768 8.148 -0.177 192 3HD1 ILE 27 3HD1 ILE 27 -9.769 6.805 -0.733 193 H ASP 28 H ASP 28 -12.488 4.149 -1.062 194 HA ASP 28 HA ASP 28 -13.710 2.144 0.693 195 1HB ASP 28 2HB ASP 28 -14.782 3.442 -1.508 196 2HB ASP 28 1HB ASP 28 -14.311 1.869 -2.145 197 H GLU 29 H GLU 29 -11.629 2.516 -2.209 198 HA GLU 29 HA GLU 29 -10.629 -0.192 -1.580 199 1HB GLU 29 2HB GLU 29 -11.981 -0.320 -3.576 200 2HB GLU 29 1HB GLU 29 -11.098 1.008 -4.308 201 1HG GLU 29 2HG GLU 29 -10.496 -1.253 -5.156 202 2HG GLU 29 1HG GLU 29 -9.142 -0.305 -4.547 203 H VAL 30 H VAL 30 -8.495 -0.488 -1.460 204 HA VAL 30 HA VAL 30 -6.682 1.588 -2.471 205 HB VAL 30 HB VAL 30 -6.338 0.318 0.252 206 1HG1 VAL 30 1HG1 VAL 30 -4.741 2.118 -1.445 207 2HG1 VAL 30 2HG1 VAL 30 -4.231 0.971 -0.205 208 3HG1 VAL 30 3HG1 VAL 30 -4.842 2.559 0.261 209 1HG2 VAL 30 1HG2 VAL 30 -8.329 1.909 -0.004 210 2HG2 VAL 30 2HG2 VAL 30 -7.122 3.178 -0.221 211 3HG2 VAL 30 3HG2 VAL 30 -7.169 2.251 1.279 212 H ARG 31 H ARG 31 -5.577 0.493 -3.996 213 HA ARG 31 HA ARG 31 -4.802 -2.282 -3.431 214 1HB ARG 31 2HB ARG 31 -4.390 -1.184 -6.149 215 2HB ARG 31 1HB ARG 31 -4.975 -2.762 -5.646 216 1HG ARG 31 2HG ARG 31 -7.164 -1.854 -5.189 217 2HG ARG 31 1HG ARG 31 -6.595 -0.225 -5.559 218 1HD ARG 31 2HD ARG 31 -7.427 -0.676 -7.604 219 2HD ARG 31 1HD ARG 31 -5.891 -1.514 -7.824 220 HE ARG 31 HE ARG 31 -7.564 -3.386 -6.732 221 1HH1 ARG 31 1HH1 ARG 31 -7.636 -1.355 -9.569 222 2HH1 ARG 31 2HH1 ARG 31 -8.564 -2.479 -10.503 223 1HH2 ARG 31 1HH2 ARG 31 -8.784 -4.865 -7.960 224 2HH2 ARG 31 2HH2 ARG 31 -9.217 -4.472 -9.589 225 H TRP 32 H TRP 32 -2.773 -2.898 -3.225 226 HA TRP 32 HA TRP 32 -0.635 -0.925 -3.693 227 1HB TRP 32 2HB TRP 32 -0.925 -3.171 -1.705 228 2HB TRP 32 1HB TRP 32 0.662 -2.552 -2.136 229 HD1 TRP 32 HD TRP 32 -2.506 -1.597 -0.217 230 HE1 TRP 32 1HE TRP 32 -1.996 0.464 1.239 231 HE3 TRP 32 3HE TRP 32 2.155 -0.483 -1.996 232 HZ2 TRP 32 2HZ TRP 32 0.104 2.327 1.575 233 HZ3 TRP 32 3HZ TRP 32 3.348 1.457 -1.056 234 HH2 TRP 32 HH TRP 32 2.340 2.828 0.693 235 H GLU 33 H GLU 33 -0.567 -1.499 -5.935 236 HA GLU 33 HA GLU 33 0.244 -4.246 -6.527 237 1HB GLU 33 2HB GLU 33 -0.487 -2.013 -8.422 238 2HB GLU 33 1HB GLU 33 -0.202 -3.693 -8.859 239 1HG GLU 33 2HG GLU 33 -2.128 -4.353 -7.479 240 2HG GLU 33 1HG GLU 33 -2.430 -2.653 -7.124 241 H ARG 34 H ARG 34 1.954 -4.678 -7.997 242 HA ARG 34 HA ARG 34 3.982 -2.642 -8.407 243 1HB ARG 34 2HB ARG 34 4.563 -3.526 -6.200 244 2HB ARG 34 1HB ARG 34 4.521 -5.168 -6.828 245 1HG ARG 34 2HG ARG 34 6.314 -4.004 -8.504 246 2HG ARG 34 1HG ARG 34 6.621 -3.135 -6.998 247 1HD ARG 34 2HD ARG 34 8.041 -5.102 -7.158 248 2HD ARG 34 1HD ARG 34 6.894 -5.269 -5.829 249 HE ARG 34 HE ARG 34 6.011 -6.447 -8.305 250 1HH1 ARG 34 1HH1 ARG 34 7.801 -6.963 -5.353 251 2HH1 ARG 34 2HH1 ARG 34 7.609 -8.684 -5.391 252 1HH2 ARG 34 1HH2 ARG 34 5.758 -8.709 -8.356 253 2HH2 ARG 34 2HH2 ARG 34 6.451 -9.675 -7.096 254 H GLY 35 H GLY 35 4.386 -2.841 -10.525 255 1HA GLY 35 2HA GLY 35 4.787 -3.796 -12.581 256 2HA GLY 35 1HA GLY 35 5.446 -5.157 -11.691 257 H SER 36 H SER 36 4.498 -7.010 -12.067 258 HA SER 36 HA SER 36 1.671 -7.014 -12.897 259 1HB SER 36 2HB SER 36 2.372 -9.324 -13.901 260 2HB SER 36 1HB SER 36 2.801 -7.845 -14.761 261 HG SER 36 HG SER 36 4.876 -8.007 -13.970 262 H THR 37 H THR 37 2.297 -6.979 -10.192 263 HA THR 37 HA THR 37 1.183 -9.536 -9.366 264 HB THR 37 HB THR 37 3.777 -8.467 -8.238 265 HG1 THR 37 1HG THR 37 4.438 -9.602 -9.898 266 1HG2 THR 37 1HG2 THR 37 3.833 -10.582 -6.949 267 2HG2 THR 37 2HG2 THR 37 2.154 -10.857 -7.410 268 3HG2 THR 37 3HG2 THR 37 2.581 -9.455 -6.427 269 H LEU 38 H LEU 38 0.424 -9.512 -7.117 270 HA LEU 38 HA LEU 38 -0.321 -6.778 -6.274 271 1HB LEU 38 2HB LEU 38 -1.753 -9.365 -6.244 272 2HB LEU 38 1HB LEU 38 -1.919 -8.403 -4.797 273 HG LEU 38 HG LEU 38 -2.601 -7.396 -7.562 274 1HD1 LEU 38 1HD1 LEU 38 -4.048 -9.079 -5.680 275 2HD1 LEU 38 2HD1 LEU 38 -4.399 -8.701 -7.368 276 3HD1 LEU 38 3HD1 LEU 38 -4.919 -7.600 -6.093 277 1HD2 LEU 38 1HD2 LEU 38 -1.932 -5.780 -5.678 278 2HD2 LEU 38 2HD2 LEU 38 -3.455 -6.253 -4.924 279 3HD2 LEU 38 3HD2 LEU 38 -3.457 -5.495 -6.516 280 H VAL 39 H VAL 39 -0.134 -6.199 -4.108 281 HA VAL 39 HA VAL 39 1.561 -7.987 -2.501 282 HB VAL 39 HB VAL 39 1.611 -4.973 -2.703 283 1HG1 VAL 39 1HG1 VAL 39 3.049 -6.753 -0.740 284 2HG1 VAL 39 2HG1 VAL 39 1.795 -5.569 -0.370 285 3HG1 VAL 39 3HG1 VAL 39 3.365 -5.033 -0.974 286 1HG2 VAL 39 1HG2 VAL 39 3.592 -5.189 -3.816 287 2HG2 VAL 39 2HG2 VAL 39 2.894 -6.749 -4.258 288 3HG2 VAL 39 3HG2 VAL 39 4.050 -6.644 -2.929 289 H ALA 40 H ALA 40 -0.913 -5.470 -2.436 290 HA ALA 40 HA ALA 40 -2.332 -6.786 -0.330 291 1HB ALA 40 1HB ALA 40 -0.612 -5.737 1.027 292 2HB ALA 40 2HB ALA 40 -2.182 -4.996 1.337 293 3HB ALA 40 3HB ALA 40 -0.997 -4.164 0.329 294 H GLU 41 H GLU 41 -4.338 -6.586 -1.056 295 HA GLU 41 HA GLU 41 -5.204 -3.967 -2.089 296 1HB GLU 41 2HB GLU 41 -5.297 -6.522 -3.330 297 2HB GLU 41 1HB GLU 41 -6.953 -6.045 -2.979 298 1HG GLU 41 2HG GLU 41 -6.718 -4.031 -4.224 299 2HG GLU 41 1HG GLU 41 -4.983 -4.284 -4.404 300 H PHE 42 H PHE 42 -6.467 -2.976 -0.687 301 HA PHE 42 HA PHE 42 -8.192 -4.570 1.070 302 1HB PHE 42 2HB PHE 42 -6.753 -3.120 2.313 303 2HB PHE 42 1HB PHE 42 -7.138 -1.748 1.282 304 HD1 PHE 42 1HD PHE 42 -8.066 -3.638 4.199 305 HD2 PHE 42 2HD PHE 42 -9.429 -0.757 1.378 306 HE1 PHE 42 1HE PHE 42 -9.861 -2.976 5.747 307 HE2 PHE 42 2HE PHE 42 -11.225 -0.090 2.919 308 HZ PHE 42 HZ PHE 42 -11.444 -1.200 5.108 309 H LYS 43 H LYS 43 -10.277 -4.687 0.611 310 HA LYS 43 HA LYS 43 -11.515 -2.498 -0.927 311 1HB LYS 43 2HB LYS 43 -11.227 -4.805 -2.060 312 2HB LYS 43 1HB LYS 43 -12.510 -5.336 -0.981 313 1HG LYS 43 2HG LYS 43 -14.111 -4.154 -2.073 314 2HG LYS 43 1HG LYS 43 -12.993 -2.878 -2.561 315 1HD LYS 43 2HD LYS 43 -12.137 -4.164 -4.338 316 2HD LYS 43 1HD LYS 43 -12.847 -5.652 -3.708 317 1HE LYS 43 2HE LYS 43 -15.104 -4.437 -4.050 318 2HE LYS 43 1HE LYS 43 -14.182 -3.362 -5.101 319 1HZ LYS 43 1HZ LYS 43 -13.697 -5.088 -6.563 320 2HZ LYS 43 2HZ LYS 43 -15.314 -5.365 -6.155 321 3HZ LYS 43 3HZ LYS 43 -14.094 -6.295 -5.445 322 H ARG 44 H ARG 44 -13.295 -1.569 -0.069 323 HA ARG 44 HA ARG 44 -13.978 -1.814 2.555 324 1HB ARG 44 2HB ARG 44 -14.696 0.061 1.160 325 2HB ARG 44 1HB ARG 44 -15.812 -1.001 0.313 326 1HG ARG 44 2HG ARG 44 -16.949 0.398 1.961 327 2HG ARG 44 1HG ARG 44 -17.098 -1.318 2.343 328 1HD ARG 44 2HD ARG 44 -16.629 -0.121 4.369 329 2HD ARG 44 1HD ARG 44 -15.208 -1.071 3.935 330 HE ARG 44 HE ARG 44 -14.032 0.874 3.638 331 1HH1 ARG 44 1HH1 ARG 44 -17.438 1.618 3.821 332 2HH1 ARG 44 2HH1 ARG 44 -17.187 3.329 3.901 333 1HH2 ARG 44 1HH2 ARG 44 -13.702 3.125 3.743 334 2HH2 ARG 44 2HH2 ARG 44 -15.067 4.185 3.856 335 H LYS 45 H LYS 45 -14.992 -3.766 -0.024 336 HA LYS 45 HA LYS 45 -17.119 -5.062 1.438 337 1HB LYS 45 2HB LYS 45 -17.138 -4.723 -1.060 338 2HB LYS 45 1HB LYS 45 -15.871 -5.938 -1.169 339 1HG LYS 45 2HG LYS 45 -17.670 -7.310 0.262 340 2HG LYS 45 1HG LYS 45 -18.754 -6.245 -0.636 341 1HD LYS 45 2HD LYS 45 -18.135 -7.121 -2.681 342 2HD LYS 45 1HD LYS 45 -16.574 -7.686 -2.082 343 1HE LYS 45 2HE LYS 45 -19.290 -8.879 -1.564 344 2HE LYS 45 1HE LYS 45 -17.946 -9.603 -2.448 345 1HZ LYS 45 1HZ LYS 45 -17.779 -10.615 -0.411 346 2HZ LYS 45 2HZ LYS 45 -18.286 -9.250 0.451 347 3HZ LYS 45 3HZ LYS 45 -16.724 -9.309 -0.196 348 H MET 46 H MET 46 -14.729 -5.191 2.836 349 HA MET 46 HA MET 46 -13.154 -6.612 3.765 350 1HB MET 46 2HB MET 46 -15.671 -7.382 4.334 351 2HB MET 46 1HB MET 46 -15.080 -8.850 3.575 352 1HG MET 46 2HG MET 46 -13.040 -8.276 5.267 353 2HG MET 46 1HG MET 46 -14.425 -7.668 6.172 354 1HE MET 46 1HE MET 46 -13.395 -11.140 7.688 355 2HE MET 46 2HE MET 46 -14.337 -9.766 8.264 356 3HE MET 46 3HE MET 46 -12.791 -9.500 7.458 357 H LYS 47 H LYS 47 -12.782 -9.357 3.608 358 HA LYS 47 HA LYS 47 -11.566 -10.891 2.443 359 1HB LYS 47 2HB LYS 47 -13.754 -10.069 0.623 360 2HB LYS 47 1HB LYS 47 -12.428 -10.965 -0.107 361 1HG LYS 47 2HG LYS 47 -14.006 -11.892 2.283 362 2HG LYS 47 1HG LYS 47 -14.306 -12.393 0.618 363 1HD LYS 47 2HD LYS 47 -12.513 -13.769 0.573 364 2HD LYS 47 1HD LYS 47 -11.529 -12.685 1.559 365 1HE LYS 47 2HE LYS 47 -13.823 -14.120 2.813 366 2HE LYS 47 1HE LYS 47 -12.327 -15.000 2.498 367 1HZ LYS 47 1HZ LYS 47 -12.579 -13.891 4.752 368 2HZ LYS 47 2HZ LYS 47 -12.333 -12.423 3.948 369 3HZ LYS 47 3HZ LYS 47 -11.131 -13.613 3.922 370 HA PRO 48 HA PRO 48 -8.867 -7.723 0.391 371 1HB PRO 48 2HB PRO 48 -6.907 -8.003 2.428 372 2HB PRO 48 1HB PRO 48 -7.952 -6.618 2.129 373 1HG PRO 48 2HG PRO 48 -8.063 -8.268 4.364 374 2HG PRO 48 1HG PRO 48 -9.348 -7.175 3.826 375 1HD PRO 48 2HD PRO 48 -9.084 -10.123 3.453 376 2HD PRO 48 1HD PRO 48 -10.542 -9.141 3.711 377 H PHE 49 H PHE 49 -6.435 -8.001 -0.131 378 HA PHE 49 HA PHE 49 -5.810 -10.868 -0.384 379 1HB PHE 49 2HB PHE 49 -6.513 -10.144 -2.563 380 2HB PHE 49 1HB PHE 49 -5.495 -8.708 -2.474 381 HD1 PHE 49 1HD PHE 49 -3.152 -8.812 -2.968 382 HD2 PHE 49 2HD PHE 49 -5.506 -12.359 -2.890 383 HE1 PHE 49 1HE PHE 49 -1.315 -10.048 -4.026 384 HE2 PHE 49 2HE PHE 49 -3.667 -13.603 -3.952 385 HZ PHE 49 HZ PHE 49 -1.566 -12.448 -4.517 386 H LEU 50 H LEU 50 -4.250 -11.065 1.141 387 HA LEU 50 HA LEU 50 -2.062 -9.133 1.187 388 1HB LEU 50 2HB LEU 50 -3.191 -11.112 3.078 389 2HB LEU 50 1HB LEU 50 -1.454 -10.897 3.141 390 HG LEU 50 HG LEU 50 -3.550 -8.770 3.572 391 1HD1 LEU 50 1HD1 LEU 50 -2.340 -8.670 5.814 392 2HD1 LEU 50 2HD1 LEU 50 -1.650 -10.234 5.376 393 3HD1 LEU 50 3HD1 LEU 50 -3.399 -10.051 5.525 394 1HD2 LEU 50 1HD2 LEU 50 -0.686 -8.596 2.933 395 2HD2 LEU 50 2HD2 LEU 50 -1.212 -7.631 4.313 396 3HD2 LEU 50 3HD2 LEU 50 -1.971 -7.406 2.735 397 H LYS 51 H LYS 51 -0.583 -9.571 -0.358 398 HA LYS 51 HA LYS 51 -0.086 -11.867 -1.715 399 1HB LYS 51 2HB LYS 51 0.973 -9.775 -2.303 400 2HB LYS 51 1HB LYS 51 1.937 -9.805 -0.832 401 1HG LYS 51 2HG LYS 51 3.088 -11.812 -1.640 402 2HG LYS 51 1HG LYS 51 2.132 -11.753 -3.121 403 1HD LYS 51 2HD LYS 51 3.066 -9.336 -3.317 404 2HD LYS 51 1HD LYS 51 4.293 -9.907 -2.185 405 1HE LYS 51 2HE LYS 51 3.665 -11.491 -4.642 406 2HE LYS 51 1HE LYS 51 4.712 -10.076 -4.749 407 1HZ LYS 51 1HZ LYS 51 5.988 -12.099 -4.421 408 2HZ LYS 51 2HZ LYS 51 5.157 -12.423 -2.985 409 3HZ LYS 51 3HZ LYS 51 6.163 -11.067 -3.091 410 H SER 52 H SER 52 1.825 -10.890 1.151 411 HA SER 52 HA SER 52 2.040 -13.703 1.896 412 1HB SER 52 2HB SER 52 4.518 -13.426 2.267 413 2HB SER 52 1HB SER 52 4.025 -13.430 0.575 414 HG SER 52 HG SER 52 5.019 -11.590 0.468 415 H GLY 53 H GLY 53 2.966 -13.987 4.078 416 1HA GLY 53 2HA GLY 53 1.702 -12.297 5.922 417 2HA GLY 53 1HA GLY 53 2.862 -13.526 6.377 418 H ALA 54 H ALA 54 4.590 -11.714 4.256 419 HA ALA 54 HA ALA 54 5.978 -10.366 6.370 420 1HB ALA 54 1HB ALA 54 6.600 -9.852 3.508 421 2HB ALA 54 2HB ALA 54 6.885 -11.463 4.166 422 3HB ALA 54 3HB ALA 54 7.688 -10.066 4.880 423 H PHE 55 H PHE 55 3.200 -9.541 4.920 424 HA PHE 55 HA PHE 55 3.812 -6.666 5.063 425 1HB PHE 55 2HB PHE 55 1.816 -7.970 3.212 426 2HB PHE 55 1HB PHE 55 2.194 -6.257 3.296 427 HD1 PHE 55 1HD PHE 55 2.915 -9.292 1.657 428 HD2 PHE 55 2HD PHE 55 4.661 -5.627 2.906 429 HE1 PHE 55 1HE PHE 55 4.703 -9.582 -0.009 430 HE2 PHE 55 2HE PHE 55 6.448 -5.899 1.245 431 HZ PHE 55 HZ PHE 55 6.475 -7.884 -0.216 432 H GLU 56 H GLU 56 2.064 -5.291 5.664 433 HA GLU 56 HA GLU 56 -0.319 -6.450 6.802 434 1HB GLU 56 2HB GLU 56 1.620 -6.542 8.542 435 2HB GLU 56 1HB GLU 56 1.368 -4.806 8.667 436 1HG GLU 56 2HG GLU 56 -0.996 -5.229 9.241 437 2HG GLU 56 1HG GLU 56 -0.661 -6.960 9.213 438 H ILE 57 H ILE 57 -1.941 -5.111 6.375 439 HA ILE 57 HA ILE 57 -1.375 -2.439 5.430 440 HB ILE 57 HB ILE 57 -3.040 -3.900 4.300 441 1HG1 ILE 57 2HG1 ILE 57 -4.661 -1.595 5.200 442 2HG1 ILE 57 1HG1 ILE 57 -3.053 -1.214 4.591 443 1HG2 ILE 57 1HG2 ILE 57 -5.214 -3.302 6.141 444 2HG2 ILE 57 2HG2 ILE 57 -4.006 -4.387 6.826 445 3HG2 ILE 57 3HG2 ILE 57 -4.809 -4.805 5.313 446 1HD1 ILE 57 1HD1 ILE 57 -5.031 -1.210 2.959 447 2HD1 ILE 57 2HD1 ILE 57 -4.904 -2.967 3.033 448 3HD1 ILE 57 3HD1 ILE 57 -3.537 -2.008 2.468 449 H LEU 58 H LEU 58 -0.996 -0.932 6.919 450 HA LEU 58 HA LEU 58 -2.005 -0.973 9.556 451 1HB LEU 58 2HB LEU 58 -0.309 0.735 7.935 452 2HB LEU 58 1HB LEU 58 -1.344 1.677 8.990 453 HG LEU 58 HG LEU 58 -0.443 0.649 10.945 454 1HD1 LEU 58 1HD1 LEU 58 0.842 -1.273 9.026 455 2HD1 LEU 58 2HD1 LEU 58 -0.248 -1.623 10.368 456 3HD1 LEU 58 3HD1 LEU 58 1.398 -1.078 10.688 457 1HD2 LEU 58 1HD2 LEU 58 1.432 1.687 8.905 458 2HD2 LEU 58 2HD2 LEU 58 2.138 0.927 10.332 459 3HD2 LEU 58 3HD2 LEU 58 1.048 2.301 10.513 460 H ALA 59 H ALA 59 -3.193 1.050 10.437 461 HA ALA 59 HA ALA 59 -5.796 1.057 9.281 462 1HB ALA 59 1HB ALA 59 -4.514 2.322 11.645 463 2HB ALA 59 2HB ALA 59 -5.941 1.289 11.548 464 3HB ALA 59 3HB ALA 59 -6.043 2.985 11.070 465 H ASN 60 H ASN 60 -3.212 3.480 9.512 466 HA ASN 60 HA ASN 60 -4.561 5.624 8.355 467 1HB ASN 60 2HB ASN 60 -2.265 6.447 7.730 468 2HB ASN 60 1HB ASN 60 -2.457 6.012 9.426 469 1HD2 ASN 60 1HD2 ASN 60 -1.469 4.139 10.206 470 2HD2 ASN 60 2HD2 ASN 60 -0.177 3.372 9.355 471 H GLY 61 H GLY 61 -3.254 2.760 6.907 472 1HA GLY 61 2HA GLY 61 -4.063 2.065 4.754 473 2HA GLY 61 1HA GLY 61 -4.146 3.756 4.285 474 H ASP 62 H ASP 62 -1.419 2.291 5.941 475 HA ASP 62 HA ASP 62 0.191 2.738 3.517 476 1HB ASP 62 2HB ASP 62 0.818 3.089 6.431 477 2HB ASP 62 1HB ASP 62 2.113 2.821 5.269 478 H LEU 63 H LEU 63 1.930 1.272 3.082 479 HA LEU 63 HA LEU 63 1.219 -1.496 3.737 480 1HB LEU 63 2HB LEU 63 1.910 -0.701 1.442 481 2HB LEU 63 1HB LEU 63 3.532 -0.481 2.074 482 HG LEU 63 HG LEU 63 3.344 -2.993 2.739 483 1HD1 LEU 63 1HD1 LEU 63 1.466 -3.024 0.402 484 2HD1 LEU 63 2HD1 LEU 63 0.873 -2.975 2.065 485 3HD1 LEU 63 3HD1 LEU 63 1.866 -4.330 1.521 486 1HD2 LEU 63 1HD2 LEU 63 3.911 -3.523 0.230 487 2HD2 LEU 63 2HD2 LEU 63 4.992 -2.537 1.213 488 3HD2 LEU 63 3HD2 LEU 63 3.882 -1.766 0.080 489 H LYS 64 H LYS 64 2.075 -2.582 5.403 490 HA LYS 64 HA LYS 64 4.529 -1.538 6.627 491 1HB LYS 64 2HB LYS 64 2.171 -2.116 7.807 492 2HB LYS 64 1HB LYS 64 2.988 -3.660 7.997 493 1HG LYS 64 2HG LYS 64 4.422 -1.164 8.758 494 2HG LYS 64 1HG LYS 64 3.178 -1.808 9.831 495 1HD LYS 64 2HD LYS 64 5.142 -3.759 8.809 496 2HD LYS 64 1HD LYS 64 5.768 -2.546 9.928 497 1HE LYS 64 2HE LYS 64 3.605 -3.215 11.293 498 2HE LYS 64 1HE LYS 64 3.781 -4.712 10.380 499 1HZ LYS 64 1HZ LYS 64 5.676 -5.258 11.463 500 2HZ LYS 64 2HZ LYS 64 4.987 -4.311 12.682 501 3HZ LYS 64 3HZ LYS 64 6.172 -3.654 11.672 502 H ILE 65 H ILE 65 6.324 -2.495 5.961 503 HA ILE 65 HA ILE 65 6.291 -5.328 5.190 504 HB ILE 65 HB ILE 65 8.709 -3.576 5.002 505 1HG1 ILE 65 2HG1 ILE 65 6.359 -3.579 3.097 506 2HG1 ILE 65 1HG1 ILE 65 7.016 -2.205 3.973 507 1HG2 ILE 65 1HG2 ILE 65 9.380 -5.623 4.338 508 2HG2 ILE 65 2HG2 ILE 65 8.716 -5.093 2.795 509 3HG2 ILE 65 3HG2 ILE 65 7.758 -6.123 3.859 510 1HD1 ILE 65 1HD1 ILE 65 9.050 -3.412 2.346 511 2HD1 ILE 65 2HD1 ILE 65 8.429 -1.762 2.332 512 3HD1 ILE 65 3HD1 ILE 65 7.631 -3.014 1.378 513 H LYS 66 H LYS 66 6.974 -6.833 6.632 514 HA LYS 66 HA LYS 66 8.323 -5.922 9.041 515 1HB LYS 66 2HB LYS 66 8.117 -8.527 9.525 516 2HB LYS 66 1HB LYS 66 6.785 -7.416 9.784 517 1HG LYS 66 2HG LYS 66 5.858 -8.034 7.601 518 2HG LYS 66 1HG LYS 66 7.191 -9.171 7.374 519 1HD LYS 66 2HD LYS 66 5.625 -10.601 8.230 520 2HD LYS 66 1HD LYS 66 6.354 -10.040 9.735 521 1HE LYS 66 2HE LYS 66 3.876 -10.032 9.777 522 2HE LYS 66 1HE LYS 66 4.587 -8.444 10.060 523 1HZ LYS 66 1HZ LYS 66 3.774 -9.244 7.343 524 2HZ LYS 66 2HZ LYS 66 3.935 -7.690 7.993 525 3HZ LYS 66 3HZ LYS 66 2.623 -8.660 8.437 526 H ASN 67 H ASN 67 8.993 -7.842 6.226 527 HA ASN 67 HA ASN 67 11.831 -7.813 6.930 528 1HB ASN 67 2HB ASN 67 10.973 -10.021 7.620 529 2HB ASN 67 1HB ASN 67 10.366 -10.290 5.990 530 1HD2 ASN 67 1HD2 ASN 67 12.817 -10.968 8.040 531 2HD2 ASN 67 2HD2 ASN 67 14.065 -11.332 6.902 532 H LEU 68 H LEU 68 12.569 -6.516 5.332 533 HA LEU 68 HA LEU 68 11.448 -6.328 2.773 534 1HB LEU 68 2HB LEU 68 14.073 -5.500 3.956 535 2HB LEU 68 1HB LEU 68 13.729 -5.253 2.253 536 HG LEU 68 HG LEU 68 11.716 -4.285 4.195 537 1HD1 LEU 68 1HD1 LEU 68 12.955 -2.160 4.472 538 2HD1 LEU 68 2HD1 LEU 68 14.364 -2.925 3.738 539 3HD1 LEU 68 3HD1 LEU 68 13.733 -3.526 5.269 540 1HD2 LEU 68 1HD2 LEU 68 12.624 -2.546 2.050 541 2HD2 LEU 68 2HD2 LEU 68 11.001 -3.101 2.458 542 3HD2 LEU 68 3HD2 LEU 68 12.062 -4.120 1.487 543 H THR 69 H THR 69 12.317 -6.924 0.753 544 HA THR 69 HA THR 69 14.330 -9.007 0.652 545 HB THR 69 HB THR 69 12.674 -10.440 -0.741 546 HG1 THR 69 1HG THR 69 10.760 -9.610 -0.823 547 1HG2 THR 69 1HG2 THR 69 12.355 -10.253 2.241 548 2HG2 THR 69 2HG2 THR 69 13.545 -11.220 1.370 549 3HG2 THR 69 3HG2 THR 69 11.829 -11.600 1.232 550 H ARG 70 H ARG 70 14.995 -9.539 -1.516 551 HA ARG 70 HA ARG 70 15.420 -7.361 -3.159 552 1HB ARG 70 2HB ARG 70 15.673 -9.260 -5.000 553 2HB ARG 70 1HB ARG 70 16.851 -9.050 -3.714 554 1HG ARG 70 2HG ARG 70 16.299 -10.992 -2.701 555 2HG ARG 70 1HG ARG 70 14.597 -10.871 -3.145 556 1HD ARG 70 2HD ARG 70 16.042 -11.166 -5.546 557 2HD ARG 70 1HD ARG 70 16.698 -12.346 -4.412 558 HE ARG 70 HE ARG 70 14.717 -13.500 -4.504 559 1HH1 ARG 70 1HH1 ARG 70 14.281 -10.356 -5.957 560 2HH1 ARG 70 2HH1 ARG 70 12.712 -10.729 -6.590 561 1HH2 ARG 70 1HH2 ARG 70 12.655 -13.990 -5.337 562 2HH2 ARG 70 2HH2 ARG 70 11.789 -12.791 -6.237 563 H ASP 71 H ASP 71 13.035 -9.955 -3.758 564 HA ASP 71 HA ASP 71 11.873 -8.910 -6.036 565 1HB ASP 71 2HB ASP 71 11.370 -11.153 -5.169 566 2HB ASP 71 1HB ASP 71 10.502 -10.440 -3.813 567 H ASP 72 H ASP 72 11.590 -7.822 -2.758 568 HA ASP 72 HA ASP 72 9.212 -6.250 -3.269 569 1HB ASP 72 2HB ASP 72 10.834 -6.966 -0.917 570 2HB ASP 72 1HB ASP 72 10.151 -5.343 -0.874 571 H SER 73 H SER 73 12.569 -5.869 -3.689 572 HA SER 73 HA SER 73 12.654 -3.020 -3.319 573 1HB SER 73 2HB SER 73 14.920 -3.152 -3.909 574 2HB SER 73 1HB SER 73 14.617 -4.720 -3.161 575 HG SER 73 HG SER 73 15.589 -5.252 -5.014 576 H GLY 74 H GLY 74 12.068 -1.499 -4.745 577 1HA GLY 74 2HA GLY 74 12.524 -1.235 -7.364 578 2HA GLY 74 1HA GLY 74 11.174 -2.357 -7.370 579 H THR 75 H THR 75 9.377 -1.178 -8.001 580 HA THR 75 HA THR 75 8.914 1.371 -6.565 581 HB THR 75 HB THR 75 8.751 0.716 -9.477 582 HG1 THR 75 1HG THR 75 10.416 1.991 -9.061 583 1HG2 THR 75 1HG2 THR 75 7.354 2.664 -9.915 584 2HG2 THR 75 2HG2 THR 75 7.065 2.844 -8.184 585 3HG2 THR 75 3HG2 THR 75 6.478 1.414 -9.033 586 H TYR 76 H TYR 76 7.033 1.521 -5.532 587 HA TYR 76 HA TYR 76 5.028 -0.582 -5.952 588 1HB TYR 76 2HB TYR 76 5.516 1.326 -3.660 589 2HB TYR 76 1HB TYR 76 4.080 0.314 -3.770 590 HD1 TYR 76 1HD TYR 76 7.773 0.212 -3.537 591 HD2 TYR 76 2HD TYR 76 4.140 -1.946 -3.075 592 HE1 TYR 76 1HE TYR 76 9.008 -1.619 -2.459 593 HE2 TYR 76 2HE TYR 76 5.366 -3.787 -1.994 594 HH TYR 76 HH TYR 76 8.853 -3.859 -1.879 595 H ASN 77 H ASN 77 2.830 -0.062 -6.266 596 HA ASN 77 HA ASN 77 2.286 2.747 -6.954 597 1HB ASN 77 2HB ASN 77 1.994 0.313 -8.624 598 2HB ASN 77 1HB ASN 77 0.690 1.492 -8.719 599 1HD2 ASN 77 1HD2 ASN 77 3.303 0.551 -10.270 600 2HD2 ASN 77 2HD2 ASN 77 3.870 2.049 -10.917 601 H VAL 78 H VAL 78 0.615 3.543 -5.857 602 HA VAL 78 HA VAL 78 -1.372 1.646 -4.808 603 HB VAL 78 HB VAL 78 -1.423 4.368 -3.687 604 1HG1 VAL 78 1HG1 VAL 78 -2.526 3.291 -2.093 605 2HG1 VAL 78 2HG1 VAL 78 -1.181 2.181 -1.828 606 3HG1 VAL 78 3HG1 VAL 78 -2.385 1.830 -3.066 607 1HG2 VAL 78 1HG2 VAL 78 0.460 3.747 -2.069 608 2HG2 VAL 78 2HG2 VAL 78 0.923 4.315 -3.675 609 3HG2 VAL 78 3HG2 VAL 78 0.974 2.591 -3.301 610 H THR 79 H THR 79 -3.432 1.793 -5.420 611 HA THR 79 HA THR 79 -4.279 4.191 -6.907 612 HB THR 79 HB THR 79 -5.825 1.795 -7.513 613 HG1 THR 79 1HG THR 79 -4.266 0.468 -7.883 614 1HG2 THR 79 1HG2 THR 79 -5.258 4.136 -8.782 615 2HG2 THR 79 2HG2 THR 79 -5.979 2.712 -9.533 616 3HG2 THR 79 3HG2 THR 79 -4.241 2.985 -9.647 617 H VAL 80 H VAL 80 -5.289 5.245 -5.279 618 HA VAL 80 HA VAL 80 -7.122 3.863 -3.510 619 HB VAL 80 HB VAL 80 -6.249 6.749 -3.693 620 1HG1 VAL 80 1HG1 VAL 80 -7.475 7.175 -1.641 621 2HG1 VAL 80 2HG1 VAL 80 -8.101 5.524 -1.653 622 3HG1 VAL 80 3HG1 VAL 80 -8.573 6.657 -2.919 623 1HG2 VAL 80 1HG2 VAL 80 -4.851 4.700 -2.691 624 2HG2 VAL 80 2HG2 VAL 80 -5.819 5.100 -1.272 625 3HG2 VAL 80 3HG2 VAL 80 -4.788 6.326 -2.011 626 H TYR 81 H TYR 81 -9.294 3.871 -3.616 627 HA TYR 81 HA TYR 81 -10.570 5.607 -5.615 628 1HB TYR 81 2HB TYR 81 -11.082 2.701 -5.093 629 2HB TYR 81 1HB TYR 81 -12.222 3.715 -5.936 630 HD1 TYR 81 1HD TYR 81 -9.060 1.938 -6.160 631 HD2 TYR 81 2HD TYR 81 -11.667 4.640 -8.156 632 HE1 TYR 81 1HE TYR 81 -7.866 1.521 -8.267 633 HE2 TYR 81 2HE TYR 81 -10.478 4.233 -10.271 634 HH TYR 81 HH TYR 81 -9.065 2.581 -11.300 635 H SER 82 H SER 82 -12.762 6.064 -5.250 636 HA SER 82 HA SER 82 -13.381 6.423 -2.435 637 1HB SER 82 2HB SER 82 -15.425 7.547 -4.021 638 2HB SER 82 1HB SER 82 -14.132 8.383 -3.163 639 HG SER 82 HG SER 82 -14.097 7.424 -5.830 640 H THR 83 H THR 83 -15.843 6.349 -1.954 641 HA THR 83 HA THR 83 -16.653 3.663 -2.017 642 HB THR 83 HB THR 83 -18.956 4.818 -1.388 643 HG1 THR 83 1HG THR 83 -18.675 6.884 -0.631 644 1HG2 THR 83 1HG2 THR 83 -17.421 3.606 0.169 645 2HG2 THR 83 2HG2 THR 83 -18.329 4.937 0.890 646 3HG2 THR 83 3HG2 THR 83 -16.627 5.150 0.477 647 H ASN 84 H ASN 84 -17.168 6.260 -4.250 648 HA ASN 84 HA ASN 84 -19.277 4.793 -5.642 649 1HB ASN 84 2HB ASN 84 -18.187 7.586 -5.868 650 2HB ASN 84 1HB ASN 84 -19.189 6.901 -7.143 651 1HD2 ASN 84 1HD2 ASN 84 -19.823 9.160 -5.560 652 2HD2 ASN 84 2HD2 ASN 84 -21.247 8.785 -4.657 653 H GLY 85 H GLY 85 -16.450 3.885 -5.567 654 1HA GLY 85 2HA GLY 85 -14.894 2.993 -6.996 655 2HA GLY 85 1HA GLY 85 -16.201 2.940 -8.168 656 H THR 86 H THR 86 -15.237 6.002 -6.862 657 HA THR 86 HA THR 86 -14.348 6.826 -9.506 658 HB THR 86 HB THR 86 -14.284 8.770 -7.280 659 HG1 THR 86 1HG THR 86 -16.334 8.668 -6.785 660 1HG2 THR 86 1HG2 THR 86 -14.120 9.875 -9.261 661 2HG2 THR 86 2HG2 THR 86 -15.869 9.909 -9.034 662 3HG2 THR 86 3HG2 THR 86 -15.143 8.723 -10.119 663 H ARG 87 H ARG 87 -12.369 8.024 -9.817 664 HA ARG 87 HA ARG 87 -10.170 6.819 -8.394 665 1HB ARG 87 2HB ARG 87 -9.648 9.023 -10.309 666 2HB ARG 87 1HB ARG 87 -8.842 7.472 -10.133 667 1HG ARG 87 2HG ARG 87 -9.864 6.962 -12.050 668 2HG ARG 87 1HG ARG 87 -11.285 6.700 -11.039 669 1HD ARG 87 2HD ARG 87 -11.070 9.484 -11.636 670 2HD ARG 87 1HD ARG 87 -10.942 8.566 -13.136 671 HE ARG 87 HE ARG 87 -13.075 7.465 -11.836 672 1HH1 ARG 87 1HH1 ARG 87 -12.222 10.683 -12.879 673 2HH1 ARG 87 2HH1 ARG 87 -13.864 11.175 -13.124 674 1HH2 ARG 87 1HH2 ARG 87 -15.236 8.109 -12.155 675 2HH2 ARG 87 2HH2 ARG 87 -15.576 9.714 -12.712 676 H ILE 88 H ILE 88 -9.345 7.608 -6.584 677 HA ILE 88 HA ILE 88 -9.771 10.441 -5.950 678 HB ILE 88 HB ILE 88 -8.998 8.145 -4.146 679 1HG1 ILE 88 2HG1 ILE 88 -11.569 9.709 -4.461 680 2HG1 ILE 88 1HG1 ILE 88 -11.316 8.013 -4.858 681 1HG2 ILE 88 1HG2 ILE 88 -9.890 10.363 -2.651 682 2HG2 ILE 88 2HG2 ILE 88 -8.688 10.967 -3.790 683 3HG2 ILE 88 3HG2 ILE 88 -8.275 9.655 -2.687 684 1HD1 ILE 88 1HD1 ILE 88 -11.653 7.361 -2.755 685 2HD1 ILE 88 2HD1 ILE 88 -12.361 8.960 -2.527 686 3HD1 ILE 88 3HD1 ILE 88 -10.677 8.670 -2.091 687 H LEU 89 H LEU 89 -7.208 8.059 -5.211 688 HA LEU 89 HA LEU 89 -5.237 10.059 -6.071 689 1HB LEU 89 2HB LEU 89 -5.306 10.271 -3.697 690 2HB LEU 89 1HB LEU 89 -5.266 8.532 -3.477 691 HG LEU 89 HG LEU 89 -2.945 9.704 -4.888 692 1HD1 LEU 89 1HD1 LEU 89 -2.778 11.367 -3.363 693 2HD1 LEU 89 2HD1 LEU 89 -2.070 10.076 -2.393 694 3HD1 LEU 89 3HD1 LEU 89 -3.761 10.521 -2.167 695 1HD2 LEU 89 1HD2 LEU 89 -2.773 7.419 -4.497 696 2HD2 LEU 89 2HD2 LEU 89 -3.477 7.541 -2.885 697 3HD2 LEU 89 3HD2 LEU 89 -1.838 8.120 -3.177 698 H ASN 90 H ASN 90 -3.289 9.286 -6.816 699 HA ASN 90 HA ASN 90 -2.889 6.403 -7.047 700 1HB ASN 90 2HB ASN 90 -3.977 7.838 -9.162 701 2HB ASN 90 1HB ASN 90 -2.261 7.781 -9.549 702 1HD2 ASN 90 1HD2 ASN 90 -1.649 5.304 -8.406 703 2HD2 ASN 90 2HD2 ASN 90 -2.422 4.069 -9.335 704 H LYS 91 H LYS 91 -0.955 6.200 -6.069 705 HA LYS 91 HA LYS 91 1.132 8.158 -6.795 706 1HB LYS 91 2HB LYS 91 0.694 6.791 -4.143 707 2HB LYS 91 1HB LYS 91 2.084 7.793 -4.529 708 1HG LYS 91 2HG LYS 91 -0.713 8.842 -4.755 709 2HG LYS 91 1HG LYS 91 0.159 8.844 -3.221 710 1HD LYS 91 2HD LYS 91 1.849 10.269 -4.079 711 2HD LYS 91 1HD LYS 91 1.284 10.053 -5.737 712 1HE LYS 91 2HE LYS 91 -0.675 11.325 -5.330 713 2HE LYS 91 1HE LYS 91 -0.404 11.311 -3.588 714 1HZ LYS 91 1HZ LYS 91 1.718 12.474 -5.197 715 2HZ LYS 91 2HZ LYS 91 1.076 12.983 -3.718 716 3HZ LYS 91 3HZ LYS 91 0.267 13.343 -5.158 717 H ALA 92 H ALA 92 3.282 7.465 -6.854 718 HA ALA 92 HA ALA 92 3.778 4.583 -6.894 719 1HB ALA 92 1HB ALA 92 3.277 5.768 -9.221 720 2HB ALA 92 2HB ALA 92 4.474 4.483 -9.058 721 3HB ALA 92 3HB ALA 92 4.987 6.169 -9.086 722 H LEU 93 H LEU 93 5.536 4.162 -5.712 723 HA LEU 93 HA LEU 93 7.601 6.256 -5.484 724 1HB LEU 93 2HB LEU 93 7.062 4.269 -3.305 725 2HB LEU 93 1HB LEU 93 7.896 5.809 -3.208 726 HG LEU 93 HG LEU 93 5.601 6.861 -3.739 727 1HD1 LEU 93 1HD1 LEU 93 3.844 5.222 -2.603 728 2HD1 LEU 93 2HD1 LEU 93 4.906 4.011 -3.321 729 3HD1 LEU 93 3HD1 LEU 93 4.141 5.230 -4.341 730 1HD2 LEU 93 1HD2 LEU 93 4.978 6.811 -1.370 731 2HD2 LEU 93 2HD2 LEU 93 6.713 7.048 -1.582 732 3HD2 LEU 93 3HD2 LEU 93 6.089 5.468 -1.108 733 H ASP 94 H ASP 94 9.751 5.399 -4.806 734 HA ASP 94 HA ASP 94 10.241 2.718 -5.925 735 1HB ASP 94 2HB ASP 94 12.092 5.091 -6.199 736 2HB ASP 94 1HB ASP 94 12.293 3.498 -6.923 737 H LEU 95 H LEU 95 10.700 1.501 -4.196 738 HA LEU 95 HA LEU 95 12.374 2.592 -2.045 739 1HB LEU 95 2HB LEU 95 10.133 1.480 -1.571 740 2HB LEU 95 1HB LEU 95 10.877 -0.031 -2.053 741 HG LEU 95 HG LEU 95 12.047 1.623 0.170 742 1HD1 LEU 95 1HD1 LEU 95 10.057 1.324 1.200 743 2HD1 LEU 95 2HD1 LEU 95 10.730 -0.277 1.506 744 3HD1 LEU 95 3HD1 LEU 95 9.602 -0.035 0.172 745 1HD2 LEU 95 1HD2 LEU 95 12.835 -0.637 0.874 746 2HD2 LEU 95 2HD2 LEU 95 13.486 -0.094 -0.673 747 3HD2 LEU 95 3HD2 LEU 95 12.181 -1.278 -0.633 748 H ARG 96 H ARG 96 14.491 2.195 -2.202 749 HA ARG 96 HA ARG 96 15.381 -0.191 -3.648 750 1HB ARG 96 2HB ARG 96 17.535 1.497 -2.679 751 2HB ARG 96 1HB ARG 96 17.145 0.996 -4.312 752 1HG ARG 96 2HG ARG 96 15.939 3.333 -2.866 753 2HG ARG 96 1HG ARG 96 17.170 3.408 -4.122 754 1HD ARG 96 2HD ARG 96 14.280 3.106 -4.351 755 2HD ARG 96 1HD ARG 96 15.458 3.658 -5.539 756 HE ARG 96 HE ARG 96 14.366 1.017 -5.280 757 1HH1 ARG 96 1HH1 ARG 96 17.093 2.872 -6.419 758 2HH1 ARG 96 2HH1 ARG 96 17.575 1.683 -7.583 759 1HH2 ARG 96 1HH2 ARG 96 14.998 -0.547 -6.811 760 2HH2 ARG 96 2HH2 ARG 96 16.385 -0.257 -7.805 761 H ILE 97 H ILE 97 15.524 -1.946 -2.420 762 HA ILE 97 HA ILE 97 16.228 -1.720 0.394 763 HB ILE 97 HB ILE 97 15.667 -4.285 -1.069 764 1HG1 ILE 97 2HG1 ILE 97 13.569 -2.646 0.344 765 2HG1 ILE 97 1HG1 ILE 97 13.856 -2.491 -1.385 766 1HG2 ILE 97 1HG2 ILE 97 16.625 -4.107 1.326 767 2HG2 ILE 97 2HG2 ILE 97 15.285 -5.209 1.017 768 3HG2 ILE 97 3HG2 ILE 97 14.983 -3.644 1.770 769 1HD1 ILE 97 1HD1 ILE 97 12.006 -3.987 -0.940 770 2HD1 ILE 97 2HD1 ILE 97 13.049 -5.005 0.055 771 3HD1 ILE 97 3HD1 ILE 97 13.349 -4.860 -1.676 772 H LEU 98 H LEU 98 18.336 -1.592 0.845 773 HA LEU 98 HA LEU 98 20.400 -2.571 -0.784 774 1HB LEU 98 2HB LEU 98 20.088 -1.284 1.844 775 2HB LEU 98 1HB LEU 98 21.523 -2.257 1.660 776 HG LEU 98 HG LEU 98 20.718 0.071 -0.067 777 1HD1 LEU 98 1HD1 LEU 98 22.287 1.342 1.019 778 2HD1 LEU 98 2HD1 LEU 98 23.224 -0.060 1.538 779 3HD1 LEU 98 3HD1 LEU 98 21.707 0.335 2.346 780 1HD2 LEU 98 1HD2 LEU 98 22.785 -2.033 -0.379 781 2HD2 LEU 98 2HD2 LEU 98 23.235 -0.377 -0.790 782 3HD2 LEU 98 3HD2 LEU 98 21.873 -1.148 -1.602 783 H GLU 99 H GLU 99 21.032 -4.596 -1.021 784 HA GLU 99 HA GLU 99 20.204 -6.621 0.903 785 1HB GLU 99 2HB GLU 99 21.687 -7.064 -1.685 786 2HB GLU 99 1HB GLU 99 20.758 -8.238 -0.764 787 1HG GLU 99 2HG GLU 99 19.206 -7.790 -2.327 788 2HG GLU 99 1HG GLU 99 18.832 -6.450 -1.243 Start of MODEL 16 1 1H ARG 1 1H ARG 1 4.297 15.937 -5.879 2 2H ARG 1 2H ARG 1 3.418 15.337 -7.225 3 3H ARG 1 3H ARG 1 2.939 16.801 -6.467 4 HA ARG 1 HA ARG 1 4.006 17.482 -8.348 5 1HB ARG 1 2HB ARG 1 4.897 18.158 -5.893 6 2HB ARG 1 1HB ARG 1 6.390 17.533 -6.582 7 1HG ARG 1 2HG ARG 1 6.569 19.724 -7.167 8 2HG ARG 1 1HG ARG 1 5.730 19.102 -8.589 9 1HD ARG 1 2HD ARG 1 3.779 20.143 -8.064 10 2HD ARG 1 1HD ARG 1 4.052 20.014 -6.327 11 HE ARG 1 HE ARG 1 4.719 22.216 -8.000 12 1HH1 ARG 1 1HH1 ARG 1 5.761 20.457 -5.172 13 2HH1 ARG 1 2HH1 ARG 1 6.582 21.813 -4.478 14 1HH2 ARG 1 1HH2 ARG 1 5.800 24.001 -7.088 15 2HH2 ARG 1 2HH2 ARG 1 6.604 23.826 -5.564 16 H ASP 2 H ASP 2 5.743 14.844 -6.790 17 HA ASP 2 HA ASP 2 6.609 13.846 -9.347 18 1HB ASP 2 2HB ASP 2 8.593 14.959 -7.367 19 2HB ASP 2 1HB ASP 2 9.046 13.756 -8.572 20 H SER 3 H SER 3 7.946 11.798 -9.038 21 HA SER 3 HA SER 3 6.525 10.006 -7.424 22 1HB SER 3 2HB SER 3 9.327 9.452 -8.366 23 2HB SER 3 1HB SER 3 7.967 8.338 -8.229 24 HG SER 3 HG SER 3 8.601 10.140 -10.245 25 H GLY 4 H GLY 4 8.110 8.387 -6.043 26 1HA GLY 4 2HA GLY 4 9.570 10.072 -4.117 27 2HA GLY 4 1HA GLY 4 8.322 8.971 -3.551 28 H THR 5 H THR 5 10.975 8.873 -2.662 29 HA THR 5 HA THR 5 11.707 6.186 -3.582 30 HB THR 5 HB THR 5 13.797 8.305 -3.095 31 HG1 THR 5 1HG THR 5 13.682 8.897 -5.118 32 1HG2 THR 5 1HG2 THR 5 13.832 5.489 -3.896 33 2HG2 THR 5 2HG2 THR 5 15.070 6.468 -3.107 34 3HG2 THR 5 3HG2 THR 5 14.856 6.558 -4.856 35 H VAL 6 H VAL 6 12.925 4.974 -2.123 36 HA VAL 6 HA VAL 6 13.269 5.967 0.573 37 HB VAL 6 HB VAL 6 10.846 4.945 -0.028 38 1HG1 VAL 6 1HG1 VAL 6 10.718 2.688 0.907 39 2HG1 VAL 6 2HG1 VAL 6 12.477 2.620 0.847 40 3HG1 VAL 6 3HG1 VAL 6 11.548 2.824 -0.642 41 1HG2 VAL 6 1HG2 VAL 6 12.342 4.758 2.580 42 2HG2 VAL 6 2HG2 VAL 6 10.619 4.419 2.426 43 3HG2 VAL 6 3HG2 VAL 6 11.233 6.029 2.057 44 H TRP 7 H TRP 7 14.789 4.814 1.725 45 HA TRP 7 HA TRP 7 15.993 2.525 0.312 46 1HB TRP 7 2HB TRP 7 17.355 4.524 2.131 47 2HB TRP 7 1HB TRP 7 18.137 3.171 1.318 48 HD1 TRP 7 HD TRP 7 16.447 6.543 0.511 49 HE1 TRP 7 1HE TRP 7 17.345 7.371 -1.755 50 HE3 TRP 7 3HE TRP 7 19.239 2.465 -0.792 51 HZ2 TRP 7 2HZ TRP 7 19.017 6.419 -3.822 52 HZ3 TRP 7 3HZ TRP 7 20.458 2.504 -2.931 53 HH2 TRP 7 HH TRP 7 20.348 4.441 -4.412 54 H GLY 8 H GLY 8 16.428 0.672 1.421 55 1HA GLY 8 2HA GLY 8 16.125 0.655 4.333 56 2HA GLY 8 1HA GLY 8 14.964 -0.306 3.437 57 H ALA 9 H ALA 9 16.347 -1.768 5.128 58 HA ALA 9 HA ALA 9 18.514 -2.968 3.531 59 1HB ALA 9 1HB ALA 9 18.211 -2.932 6.529 60 2HB ALA 9 2HB ALA 9 19.380 -2.011 5.581 61 3HB ALA 9 3HB ALA 9 19.479 -3.771 5.636 62 H LEU 10 H LEU 10 18.401 -5.070 3.044 63 HA LEU 10 HA LEU 10 15.993 -6.459 3.110 64 1HB LEU 10 2HB LEU 10 18.084 -6.894 1.700 65 2HB LEU 10 1HB LEU 10 18.699 -7.785 3.077 66 HG LEU 10 HG LEU 10 16.152 -8.857 2.598 67 1HD1 LEU 10 1HD1 LEU 10 16.482 -9.602 0.203 68 2HD1 LEU 10 2HD1 LEU 10 17.643 -8.281 0.056 69 3HD1 LEU 10 3HD1 LEU 10 15.957 -7.935 0.441 70 1HD2 LEU 10 1HD2 LEU 10 18.800 -9.966 1.698 71 2HD2 LEU 10 2HD2 LEU 10 17.350 -10.864 2.146 72 3HD2 LEU 10 3HD2 LEU 10 18.248 -9.972 3.373 73 H GLY 11 H GLY 11 14.965 -7.653 4.563 74 1HA GLY 11 2HA GLY 11 14.784 -9.159 6.366 75 2HA GLY 11 1HA GLY 11 16.435 -8.776 6.823 76 H HIS 12 H HIS 12 15.278 -5.803 6.343 77 HA HIS 12 HA HIS 12 14.388 -5.588 9.130 78 1HB HIS 12 2HB HIS 12 16.097 -4.125 9.202 79 2HB HIS 12 1HB HIS 12 16.229 -4.075 7.450 80 HD1 HIS 12 1HD HIS 12 14.691 -2.267 10.338 81 HD2 HIS 12 2HD HIS 12 14.993 -1.972 6.219 82 HE1 HIS 12 1HE HIS 12 13.969 0.081 9.789 83 HE2 HIS 12 2HE HIS 12 14.277 0.280 7.294 84 H GLY 13 H GLY 13 12.893 -3.595 9.458 85 1HA GLY 13 2HA GLY 13 10.611 -4.040 7.719 86 2HA GLY 13 1HA GLY 13 10.617 -3.126 9.217 87 H ILE 14 H ILE 14 9.178 -2.049 7.305 88 HA ILE 14 HA ILE 14 10.241 0.496 6.934 89 HB ILE 14 HB ILE 14 11.589 -0.977 5.220 90 1HG1 ILE 14 2HG1 ILE 14 11.482 1.046 3.600 91 2HG1 ILE 14 1HG1 ILE 14 10.385 1.740 4.789 92 1HG2 ILE 14 1HG2 ILE 14 10.603 -1.116 3.026 93 2HG2 ILE 14 2HG2 ILE 14 9.119 -0.366 3.608 94 3HG2 ILE 14 3HG2 ILE 14 9.582 -1.966 4.185 95 1HD1 ILE 14 1HD1 ILE 14 12.064 1.726 6.463 96 2HD1 ILE 14 2HD1 ILE 14 12.775 2.423 5.007 97 3HD1 ILE 14 3HD1 ILE 14 13.144 0.758 5.458 98 H ASP 15 H ASP 15 8.691 1.940 6.183 99 HA ASP 15 HA ASP 15 6.110 0.727 5.436 100 1HB ASP 15 2HB ASP 15 6.102 1.656 7.727 101 2HB ASP 15 1HB ASP 15 6.544 3.230 7.075 102 H LEU 16 H LEU 16 5.184 1.404 3.624 103 HA LEU 16 HA LEU 16 6.459 3.543 2.103 104 1HB LEU 16 2HB LEU 16 4.882 1.155 1.494 105 2HB LEU 16 1HB LEU 16 4.347 2.552 0.590 106 HG LEU 16 HG LEU 16 5.996 2.307 -0.885 107 1HD1 LEU 16 1HD1 LEU 16 7.565 3.550 0.406 108 2HD1 LEU 16 2HD1 LEU 16 8.398 2.142 -0.248 109 3HD1 LEU 16 3HD1 LEU 16 7.901 2.160 1.443 110 1HD2 LEU 16 1HD2 LEU 16 5.492 -0.111 -0.176 111 2HD2 LEU 16 2HD2 LEU 16 7.079 -0.059 0.590 112 3HD2 LEU 16 3HD2 LEU 16 6.931 0.202 -1.147 113 H ASP 17 H ASP 17 5.767 5.510 2.732 114 HA ASP 17 HA ASP 17 3.009 5.915 3.511 115 1HB ASP 17 2HB ASP 17 5.384 7.770 3.404 116 2HB ASP 17 1HB ASP 17 3.769 8.284 3.888 117 H ILE 18 H ILE 18 1.450 6.528 2.238 118 HA ILE 18 HA ILE 18 1.903 7.195 -0.518 119 HB ILE 18 HB ILE 18 -0.649 7.136 1.085 120 1HG1 ILE 18 2HG1 ILE 18 0.897 5.068 -0.409 121 2HG1 ILE 18 1HG1 ILE 18 0.084 4.933 1.134 122 1HG2 ILE 18 1HG2 ILE 18 -0.408 6.941 -1.901 123 2HG2 ILE 18 2HG2 ILE 18 -0.641 8.482 -1.074 124 3HG2 ILE 18 3HG2 ILE 18 -1.855 7.211 -0.929 125 1HD1 ILE 18 1HD1 ILE 18 -2.088 5.131 -0.124 126 2HD1 ILE 18 2HD1 ILE 18 -1.175 3.635 -0.328 127 3HD1 ILE 18 3HD1 ILE 18 -1.136 4.873 -1.587 128 HA PRO 19 HA PRO 19 2.245 11.603 0.307 129 1HB PRO 19 2HB PRO 19 1.788 11.762 -2.620 130 2HB PRO 19 1HB PRO 19 3.096 12.440 -1.646 131 1HG PRO 19 2HG PRO 19 3.522 10.320 -3.199 132 2HG PRO 19 1HG PRO 19 4.274 10.439 -1.597 133 1HD PRO 19 2HD PRO 19 1.896 8.843 -2.463 134 2HD PRO 19 1HD PRO 19 3.213 8.392 -1.363 135 H ASN 20 H ASN 20 0.728 12.961 0.919 136 HA ASN 20 HA ASN 20 -1.357 13.794 1.347 137 1HB ASN 20 2HB ASN 20 -0.430 14.834 -0.869 138 2HB ASN 20 1HB ASN 20 -1.760 13.952 -1.612 139 1HD2 ASN 20 1HD2 ASN 20 -1.367 15.794 1.397 140 2HD2 ASN 20 2HD2 ASN 20 -2.731 16.823 1.144 141 H PHE 21 H PHE 21 -1.953 11.406 1.946 142 HA PHE 21 HA PHE 21 -4.464 10.843 0.588 143 1HB PHE 21 2HB PHE 21 -3.224 9.225 -0.484 144 2HB PHE 21 1HB PHE 21 -2.143 8.987 0.880 145 HD1 PHE 21 1HD PHE 21 -5.724 8.547 -0.025 146 HD2 PHE 21 2HD PHE 21 -2.350 7.065 2.072 147 HE1 PHE 21 1HE PHE 21 -7.029 6.569 0.668 148 HE2 PHE 21 2HE PHE 21 -3.631 5.078 2.765 149 HZ PHE 21 HZ PHE 21 -5.979 4.830 2.059 150 H GLN 22 H GLN 22 -6.010 9.786 1.901 151 HA GLN 22 HA GLN 22 -5.313 9.361 4.708 152 1HB GLN 22 2HB GLN 22 -7.171 11.433 3.655 153 2HB GLN 22 1HB GLN 22 -7.650 10.581 5.117 154 1HG GLN 22 2HG GLN 22 -5.656 11.289 6.248 155 2HG GLN 22 1HG GLN 22 -5.026 12.011 4.768 156 1HE2 GLN 22 1HE2 GLN 22 -6.682 12.579 7.598 157 2HE2 GLN 22 2HE2 GLN 22 -7.350 14.125 7.215 158 H MET 23 H MET 23 -5.994 7.399 5.226 159 HA MET 23 HA MET 23 -8.008 6.058 3.664 160 1HB MET 23 2HB MET 23 -5.879 5.046 4.749 161 2HB MET 23 1HB MET 23 -6.845 4.987 6.217 162 1HG MET 23 2HG MET 23 -8.537 3.844 4.439 163 2HG MET 23 1HG MET 23 -6.976 3.338 3.797 164 1HE MET 23 1HE MET 23 -6.637 0.321 5.035 165 2HE MET 23 2HE MET 23 -5.348 1.185 5.871 166 3HE MET 23 3HE MET 23 -5.855 1.700 4.263 167 H THR 24 H THR 24 -9.740 7.579 4.181 168 HA THR 24 HA THR 24 -10.890 7.189 6.858 169 HB THR 24 HB THR 24 -12.213 9.186 6.434 170 HG1 THR 24 1HG THR 24 -10.910 9.343 3.924 171 1HG2 THR 24 1HG2 THR 24 -9.377 9.212 6.534 172 2HG2 THR 24 2HG2 THR 24 -10.521 10.411 7.139 173 3HG2 THR 24 3HG2 THR 24 -9.919 10.522 5.485 174 H ASP 25 H ASP 25 -13.502 7.685 6.479 175 HA ASP 25 HA ASP 25 -14.523 5.258 5.543 176 1HB ASP 25 2HB ASP 25 -15.905 7.903 6.022 177 2HB ASP 25 1HB ASP 25 -16.754 6.396 5.695 178 H ASP 26 H ASP 26 -13.996 8.308 3.924 179 HA ASP 26 HA ASP 26 -15.617 7.899 1.667 180 1HB ASP 26 2HB ASP 26 -14.124 9.964 2.534 181 2HB ASP 26 1HB ASP 26 -13.049 9.336 1.290 182 H ILE 27 H ILE 27 -12.514 6.612 2.549 183 HA ILE 27 HA ILE 27 -11.798 5.763 -0.089 184 HB ILE 27 HB ILE 27 -10.686 5.054 2.628 185 1HG1 ILE 27 2HG1 ILE 27 -10.256 7.350 2.169 186 2HG1 ILE 27 1HG1 ILE 27 -8.782 6.495 1.778 187 1HG2 ILE 27 1HG2 ILE 27 -10.237 3.256 1.037 188 2HG2 ILE 27 2HG2 ILE 27 -8.763 4.121 1.466 189 3HG2 ILE 27 3HG2 ILE 27 -9.538 4.422 -0.086 190 1HD1 ILE 27 1HD1 ILE 27 -10.746 7.798 -0.035 191 2HD1 ILE 27 2HD1 ILE 27 -9.753 6.468 -0.632 192 3HD1 ILE 27 3HD1 ILE 27 -8.987 7.927 -0.001 193 H ASP 28 H ASP 28 -12.406 3.828 -1.078 194 HA ASP 28 HA ASP 28 -13.820 1.881 0.601 195 1HB ASP 28 2HB ASP 28 -14.810 3.213 -1.544 196 2HB ASP 28 1HB ASP 28 -14.194 1.758 -2.322 197 H GLU 29 H GLU 29 -11.552 2.156 -2.171 198 HA GLU 29 HA GLU 29 -10.635 -0.547 -1.418 199 1HB GLU 29 2HB GLU 29 -12.061 -0.720 -3.395 200 2HB GLU 29 1HB GLU 29 -11.058 0.451 -4.236 201 1HG GLU 29 2HG GLU 29 -9.157 -1.109 -4.080 202 2HG GLU 29 1HG GLU 29 -10.221 -2.289 -3.315 203 H VAL 30 H VAL 30 -8.577 -0.485 -0.809 204 HA VAL 30 HA VAL 30 -6.765 1.475 -2.064 205 HB VAL 30 HB VAL 30 -6.075 -0.039 0.446 206 1HG1 VAL 30 1HG1 VAL 30 -4.185 1.062 -0.052 207 2HG1 VAL 30 2HG1 VAL 30 -5.018 2.440 0.670 208 3HG1 VAL 30 3HG1 VAL 30 -5.011 2.232 -1.082 209 1HG2 VAL 30 1HG2 VAL 30 -6.881 2.353 1.422 210 2HG2 VAL 30 2HG2 VAL 30 -7.879 0.899 1.422 211 3HG2 VAL 30 3HG2 VAL 30 -8.075 2.103 0.148 212 H ARG 31 H ARG 31 -5.533 0.605 -3.632 213 HA ARG 31 HA ARG 31 -4.783 -2.232 -3.374 214 1HB ARG 31 2HB ARG 31 -4.550 -0.877 -6.008 215 2HB ARG 31 1HB ARG 31 -5.005 -2.530 -5.627 216 1HG ARG 31 2HG ARG 31 -7.148 -1.362 -4.641 217 2HG ARG 31 1HG ARG 31 -6.684 -0.085 -5.767 218 1HD ARG 31 2HD ARG 31 -7.260 -2.972 -6.413 219 2HD ARG 31 1HD ARG 31 -8.223 -1.566 -6.866 220 HE ARG 31 HE ARG 31 -5.520 -1.492 -7.847 221 1HH1 ARG 31 1HH1 ARG 31 -8.768 -2.602 -8.479 222 2HH1 ARG 31 2HH1 ARG 31 -8.538 -2.690 -10.193 223 1HH2 ARG 31 1HH2 ARG 31 -5.217 -1.606 -10.101 224 2HH2 ARG 31 2HH2 ARG 31 -6.523 -2.125 -11.114 225 H TRP 32 H TRP 32 -2.741 -2.814 -3.268 226 HA TRP 32 HA TRP 32 -0.648 -0.801 -3.768 227 1HB TRP 32 2HB TRP 32 -0.841 -3.044 -1.766 228 2HB TRP 32 1HB TRP 32 0.721 -2.393 -2.245 229 HD1 TRP 32 HD TRP 32 -2.429 -1.473 -0.268 230 HE1 TRP 32 1HE TRP 32 -1.911 0.591 1.181 231 HE3 TRP 32 3HE TRP 32 2.197 -0.328 -2.114 232 HZ2 TRP 32 2HZ TRP 32 0.181 2.468 1.488 233 HZ3 TRP 32 3HZ TRP 32 3.389 1.619 -1.192 234 HH2 TRP 32 HH TRP 32 2.400 2.985 0.573 235 H GLU 33 H GLU 33 -0.562 -1.356 -5.996 236 HA GLU 33 HA GLU 33 0.214 -4.108 -6.616 237 1HB GLU 33 2HB GLU 33 -0.500 -1.844 -8.483 238 2HB GLU 33 1HB GLU 33 -0.208 -3.514 -8.950 239 1HG GLU 33 2HG GLU 33 -2.133 -4.165 -7.490 240 2HG GLU 33 1HG GLU 33 -2.475 -2.447 -7.288 241 H ARG 34 H ARG 34 2.018 -4.643 -7.802 242 HA ARG 34 HA ARG 34 4.047 -2.583 -8.246 243 1HB ARG 34 2HB ARG 34 4.303 -3.886 -5.994 244 2HB ARG 34 1HB ARG 34 4.847 -5.205 -7.022 245 1HG ARG 34 2HG ARG 34 6.307 -3.050 -7.928 246 2HG ARG 34 1HG ARG 34 6.236 -2.799 -6.183 247 1HD ARG 34 2HD ARG 34 7.983 -4.202 -6.116 248 2HD ARG 34 1HD ARG 34 6.771 -5.465 -6.331 249 HE ARG 34 HE ARG 34 7.750 -4.365 -8.800 250 1HH1 ARG 34 1HH1 ARG 34 8.292 -6.756 -6.317 251 2HH1 ARG 34 2HH1 ARG 34 9.212 -7.800 -7.347 252 1HH2 ARG 34 1HH2 ARG 34 8.960 -5.737 -10.157 253 2HH2 ARG 34 2HH2 ARG 34 9.593 -7.222 -9.527 254 H GLY 35 H GLY 35 4.521 -2.724 -10.351 255 1HA GLY 35 2HA GLY 35 4.956 -3.620 -12.427 256 2HA GLY 35 1HA GLY 35 5.550 -5.030 -11.568 257 H SER 36 H SER 36 4.567 -6.839 -12.058 258 HA SER 36 HA SER 36 1.762 -6.729 -12.958 259 1HB SER 36 2HB SER 36 3.794 -8.859 -13.661 260 2HB SER 36 1HB SER 36 2.185 -8.650 -14.351 261 HG SER 36 HG SER 36 3.099 -7.402 -15.757 262 H THR 37 H THR 37 2.320 -6.818 -10.236 263 HA THR 37 HA THR 37 1.091 -9.356 -9.535 264 HB THR 37 HB THR 37 3.725 -8.461 -8.349 265 HG1 THR 37 1HG THR 37 4.141 -9.538 -10.203 266 1HG2 THR 37 1HG2 THR 37 2.462 -9.431 -6.572 267 2HG2 THR 37 2HG2 THR 37 3.659 -10.608 -7.115 268 3HG2 THR 37 3HG2 THR 37 1.970 -10.783 -7.594 269 H LEU 38 H LEU 38 0.296 -9.388 -7.299 270 HA LEU 38 HA LEU 38 -0.374 -6.667 -6.384 271 1HB LEU 38 2HB LEU 38 -1.829 -9.230 -6.388 272 2HB LEU 38 1HB LEU 38 -1.932 -8.346 -4.887 273 HG LEU 38 HG LEU 38 -2.738 -7.241 -7.580 274 1HD1 LEU 38 1HD1 LEU 38 -4.957 -7.379 -5.971 275 2HD1 LEU 38 2HD1 LEU 38 -4.105 -8.880 -5.596 276 3HD1 LEU 38 3HD1 LEU 38 -4.549 -8.509 -7.263 277 1HD2 LEU 38 1HD2 LEU 38 -1.890 -5.683 -5.688 278 2HD2 LEU 38 2HD2 LEU 38 -3.418 -6.083 -4.905 279 3HD2 LEU 38 3HD2 LEU 38 -3.416 -5.310 -6.489 280 H VAL 39 H VAL 39 -0.090 -6.086 -4.231 281 HA VAL 39 HA VAL 39 1.599 -7.920 -2.672 282 HB VAL 39 HB VAL 39 1.704 -4.911 -2.887 283 1HG1 VAL 39 1HG1 VAL 39 1.868 -5.450 -0.542 284 2HG1 VAL 39 2HG1 VAL 39 3.458 -4.984 -1.149 285 3HG1 VAL 39 3HG1 VAL 39 3.082 -6.685 -0.875 286 1HG2 VAL 39 1HG2 VAL 39 2.981 -6.800 -4.360 287 2HG2 VAL 39 2HG2 VAL 39 4.138 -6.574 -3.049 288 3HG2 VAL 39 3HG2 VAL 39 3.644 -5.196 -4.034 289 H ALA 40 H ALA 40 -0.872 -5.402 -2.543 290 HA ALA 40 HA ALA 40 -2.250 -6.722 -0.427 291 1HB ALA 40 1HB ALA 40 -0.496 -5.717 0.918 292 2HB ALA 40 2HB ALA 40 -2.053 -4.967 1.268 293 3HB ALA 40 3HB ALA 40 -0.878 -4.128 0.256 294 H GLU 41 H GLU 41 -4.256 -6.500 -1.144 295 HA GLU 41 HA GLU 41 -5.131 -3.839 -2.050 296 1HB GLU 41 2HB GLU 41 -5.201 -6.314 -3.447 297 2HB GLU 41 1HB GLU 41 -6.861 -5.860 -3.082 298 1HG GLU 41 2HG GLU 41 -6.607 -3.767 -4.189 299 2HG GLU 41 1HG GLU 41 -4.874 -4.023 -4.379 300 H PHE 42 H PHE 42 -6.382 -2.947 -0.587 301 HA PHE 42 HA PHE 42 -8.106 -4.646 1.065 302 1HB PHE 42 2HB PHE 42 -6.710 -3.260 2.404 303 2HB PHE 42 1HB PHE 42 -7.057 -1.840 1.427 304 HD1 PHE 42 1HD PHE 42 -9.243 -0.735 1.582 305 HD2 PHE 42 2HD PHE 42 -8.167 -3.940 4.167 306 HE1 PHE 42 1HE PHE 42 -11.076 -0.120 3.097 307 HE2 PHE 42 2HE PHE 42 -9.999 -3.327 5.693 308 HZ PHE 42 HZ PHE 42 -11.457 -1.415 5.159 309 H LYS 43 H LYS 43 -10.285 -3.890 1.537 310 HA LYS 43 HA LYS 43 -11.455 -2.012 -0.352 311 1HB LYS 43 2HB LYS 43 -11.531 -4.786 -0.827 312 2HB LYS 43 1HB LYS 43 -13.136 -4.349 -0.259 313 1HG LYS 43 2HG LYS 43 -13.641 -3.265 -2.147 314 2HG LYS 43 1HG LYS 43 -12.046 -2.515 -2.257 315 1HD LYS 43 2HD LYS 43 -11.791 -3.884 -4.027 316 2HD LYS 43 1HD LYS 43 -11.435 -5.100 -2.798 317 1HE LYS 43 2HE LYS 43 -13.423 -6.162 -3.078 318 2HE LYS 43 1HE LYS 43 -14.285 -4.675 -3.471 319 1HZ LYS 43 1HZ LYS 43 -13.606 -4.768 -5.670 320 2HZ LYS 43 2HZ LYS 43 -13.915 -6.392 -5.312 321 3HZ LYS 43 3HZ LYS 43 -12.323 -5.824 -5.351 322 H ARG 44 H ARG 44 -13.929 -1.916 0.106 323 HA ARG 44 HA ARG 44 -14.248 -1.709 2.990 324 1HB ARG 44 2HB ARG 44 -14.707 0.186 1.174 325 2HB ARG 44 1HB ARG 44 -16.269 -0.613 1.123 326 1HG ARG 44 2HG ARG 44 -16.184 1.322 2.664 327 2HG ARG 44 1HG ARG 44 -16.646 -0.192 3.440 328 1HD ARG 44 2HD ARG 44 -15.039 1.175 4.756 329 2HD ARG 44 1HD ARG 44 -14.462 -0.447 4.388 330 HE ARG 44 HE ARG 44 -13.423 1.033 2.383 331 1HH1 ARG 44 1HH1 ARG 44 -13.393 1.383 5.855 332 2HH1 ARG 44 2HH1 ARG 44 -11.860 2.186 5.886 333 1HH2 ARG 44 1HH2 ARG 44 -11.403 2.089 2.424 334 2HH2 ARG 44 2HH2 ARG 44 -10.731 2.587 3.940 335 H LYS 45 H LYS 45 -14.992 -3.455 3.754 336 HA LYS 45 HA LYS 45 -16.582 -4.994 4.400 337 1HB LYS 45 2HB LYS 45 -18.148 -3.328 2.958 338 2HB LYS 45 1HB LYS 45 -18.233 -4.768 1.952 339 1HG LYS 45 2HG LYS 45 -18.968 -4.564 4.864 340 2HG LYS 45 1HG LYS 45 -20.075 -4.739 3.501 341 1HD LYS 45 2HD LYS 45 -19.181 -6.931 3.008 342 2HD LYS 45 1HD LYS 45 -17.965 -6.752 4.273 343 1HE LYS 45 2HE LYS 45 -20.019 -6.394 5.826 344 2HE LYS 45 1HE LYS 45 -20.915 -7.176 4.525 345 1HZ LYS 45 1HZ LYS 45 -19.857 -9.158 4.863 346 2HZ LYS 45 2HZ LYS 45 -19.878 -8.571 6.449 347 3HZ LYS 45 3HZ LYS 45 -18.468 -8.452 5.522 348 H MET 46 H MET 46 -15.917 -4.898 0.911 349 HA MET 46 HA MET 46 -16.167 -7.630 0.395 350 1HB MET 46 2HB MET 46 -14.653 -5.405 -0.912 351 2HB MET 46 1HB MET 46 -14.339 -7.058 -1.420 352 1HG MET 46 2HG MET 46 -17.093 -6.898 -1.404 353 2HG MET 46 1HG MET 46 -16.585 -5.322 -2.008 354 1HE MET 46 1HE MET 46 -18.052 -6.041 -4.055 355 2HE MET 46 2HE MET 46 -17.172 -6.556 -5.494 356 3HE MET 46 3HE MET 46 -16.675 -5.100 -4.631 357 H LYS 47 H LYS 47 -14.080 -8.896 -0.442 358 HA LYS 47 HA LYS 47 -12.415 -9.195 1.930 359 1HB LYS 47 2HB LYS 47 -11.674 -11.305 0.844 360 2HB LYS 47 1HB LYS 47 -13.412 -11.219 1.090 361 1HG LYS 47 2HG LYS 47 -12.402 -10.281 -1.522 362 2HG LYS 47 1HG LYS 47 -12.296 -12.013 -1.199 363 1HD LYS 47 2HD LYS 47 -14.534 -12.294 -1.283 364 2HD LYS 47 1HD LYS 47 -14.860 -10.751 -0.493 365 1HE LYS 47 2HE LYS 47 -15.664 -10.827 -2.827 366 2HE LYS 47 1HE LYS 47 -14.468 -9.561 -2.552 367 1HZ LYS 47 1HZ LYS 47 -12.778 -11.095 -3.463 368 2HZ LYS 47 2HZ LYS 47 -13.966 -10.673 -4.590 369 3HZ LYS 47 3HZ LYS 47 -14.007 -12.192 -3.847 370 HA PRO 48 HA PRO 48 -9.021 -7.202 -0.170 371 1HB PRO 48 2HB PRO 48 -7.227 -7.309 1.802 372 2HB PRO 48 1HB PRO 48 -8.668 -6.292 1.933 373 1HG PRO 48 2HG PRO 48 -8.112 -8.959 3.157 374 2HG PRO 48 1HG PRO 48 -8.932 -7.552 3.857 375 1HD PRO 48 2HD PRO 48 -10.205 -9.764 2.758 376 2HD PRO 48 1HD PRO 48 -10.949 -8.172 2.998 377 H PHE 49 H PHE 49 -6.486 -7.690 -0.202 378 HA PHE 49 HA PHE 49 -6.017 -10.564 -0.497 379 1HB PHE 49 2HB PHE 49 -6.592 -9.879 -2.725 380 2HB PHE 49 1HB PHE 49 -5.532 -8.478 -2.629 381 HD1 PHE 49 1HD PHE 49 -5.610 -12.158 -2.854 382 HD2 PHE 49 2HD PHE 49 -3.208 -8.649 -3.099 383 HE1 PHE 49 1HE PHE 49 -3.763 -13.487 -3.790 384 HE2 PHE 49 2HE PHE 49 -1.366 -9.970 -4.037 385 HZ PHE 49 HZ PHE 49 -1.637 -12.393 -4.380 386 H LEU 50 H LEU 50 -4.444 -10.870 0.969 387 HA LEU 50 HA LEU 50 -2.252 -8.940 1.116 388 1HB LEU 50 2HB LEU 50 -3.503 -10.846 2.996 389 2HB LEU 50 1HB LEU 50 -1.761 -10.714 3.111 390 HG LEU 50 HG LEU 50 -3.775 -8.499 3.472 391 1HD1 LEU 50 1HD1 LEU 50 -3.690 -9.715 5.456 392 2HD1 LEU 50 2HD1 LEU 50 -2.536 -8.407 5.718 393 3HD1 LEU 50 3HD1 LEU 50 -1.959 -10.022 5.307 394 1HD2 LEU 50 1HD2 LEU 50 -1.330 -7.497 4.218 395 2HD2 LEU 50 2HD2 LEU 50 -2.177 -7.139 2.712 396 3HD2 LEU 50 3HD2 LEU 50 -0.953 -8.407 2.753 397 H LYS 51 H LYS 51 -0.611 -9.410 -0.233 398 HA LYS 51 HA LYS 51 -0.123 -11.695 -1.624 399 1HB LYS 51 2HB LYS 51 1.078 -9.621 -2.029 400 2HB LYS 51 1HB LYS 51 1.940 -9.790 -0.507 401 1HG LYS 51 2HG LYS 51 3.171 -11.645 -1.303 402 2HG LYS 51 1HG LYS 51 2.134 -11.813 -2.720 403 1HD LYS 51 2HD LYS 51 2.938 -9.354 -3.196 404 2HD LYS 51 1HD LYS 51 4.288 -9.828 -2.162 405 1HE LYS 51 2HE LYS 51 4.438 -11.905 -3.678 406 2HE LYS 51 1HE LYS 51 3.434 -10.980 -4.796 407 1HZ LYS 51 1HZ LYS 51 5.107 -9.249 -4.829 408 2HZ LYS 51 2HZ LYS 51 5.797 -10.728 -5.273 409 3HZ LYS 51 3HZ LYS 51 6.063 -10.104 -3.723 410 H SER 52 H SER 52 1.268 -10.921 1.570 411 HA SER 52 HA SER 52 1.226 -13.635 2.393 412 1HB SER 52 2HB SER 52 3.571 -14.150 2.432 413 2HB SER 52 1HB SER 52 3.166 -13.655 0.789 414 HG SER 52 HG SER 52 4.203 -11.770 1.082 415 H GLY 53 H GLY 53 2.306 -13.941 4.517 416 1HA GLY 53 2HA GLY 53 1.509 -12.004 6.333 417 2HA GLY 53 1HA GLY 53 2.634 -13.282 6.747 418 H ALA 54 H ALA 54 4.288 -11.865 4.341 419 HA ALA 54 HA ALA 54 5.975 -10.440 6.145 420 1HB ALA 54 1HB ALA 54 6.393 -10.053 3.260 421 2HB ALA 54 2HB ALA 54 6.416 -11.725 3.820 422 3HB ALA 54 3HB ALA 54 7.526 -10.546 4.518 423 H PHE 55 H PHE 55 3.120 -9.507 4.883 424 HA PHE 55 HA PHE 55 3.907 -6.678 4.941 425 1HB PHE 55 2HB PHE 55 1.882 -7.866 3.039 426 2HB PHE 55 1HB PHE 55 2.331 -6.172 3.151 427 HD1 PHE 55 1HD PHE 55 4.753 -5.562 2.675 428 HD2 PHE 55 2HD PHE 55 3.022 -9.292 1.594 429 HE1 PHE 55 1HE PHE 55 6.527 -5.892 1.005 430 HE2 PHE 55 2HE PHE 55 4.797 -9.636 -0.077 431 HZ PHE 55 HZ PHE 55 6.552 -7.934 -0.374 432 H GLU 56 H GLU 56 2.200 -5.214 5.520 433 HA GLU 56 HA GLU 56 -0.244 -6.295 6.617 434 1HB GLU 56 2HB GLU 56 1.895 -5.088 8.373 435 2HB GLU 56 1HB GLU 56 0.210 -5.184 8.861 436 1HG GLU 56 2HG GLU 56 0.287 -7.617 8.648 437 2HG GLU 56 1HG GLU 56 1.981 -7.516 8.168 438 H ILE 57 H ILE 57 -1.832 -4.892 6.270 439 HA ILE 57 HA ILE 57 -1.174 -2.233 5.326 440 HB ILE 57 HB ILE 57 -2.866 -3.614 4.153 441 1HG1 ILE 57 2HG1 ILE 57 -4.344 -1.234 5.186 442 2HG1 ILE 57 1HG1 ILE 57 -2.800 -0.979 4.379 443 1HG2 ILE 57 1HG2 ILE 57 -4.616 -4.552 5.154 444 2HG2 ILE 57 2HG2 ILE 57 -5.070 -3.040 5.939 445 3HG2 ILE 57 3HG2 ILE 57 -3.877 -4.097 6.688 446 1HD1 ILE 57 1HD1 ILE 57 -3.592 -1.856 2.356 447 2HD1 ILE 57 2HD1 ILE 57 -4.891 -0.826 2.960 448 3HD1 ILE 57 3HD1 ILE 57 -5.004 -2.578 3.128 449 H LEU 58 H LEU 58 -0.654 -0.872 6.937 450 HA LEU 58 HA LEU 58 -1.686 -0.877 9.531 451 1HB LEU 58 2HB LEU 58 0.021 0.815 7.921 452 2HB LEU 58 1HB LEU 58 -1.009 1.779 8.963 453 HG LEU 58 HG LEU 58 -0.137 0.737 10.931 454 1HD1 LEU 58 1HD1 LEU 58 1.244 -1.150 9.035 455 2HD1 LEU 58 2HD1 LEU 58 0.044 -1.541 10.266 456 3HD1 LEU 58 3HD1 LEU 58 1.654 -1.005 10.744 457 1HD2 LEU 58 1HD2 LEU 58 2.439 1.035 10.379 458 2HD2 LEU 58 2HD2 LEU 58 1.339 2.409 10.485 459 3HD2 LEU 58 3HD2 LEU 58 1.779 1.752 8.909 460 H ALA 59 H ALA 59 -2.867 1.097 10.477 461 HA ALA 59 HA ALA 59 -5.482 1.146 9.390 462 1HB ALA 59 1HB ALA 59 -4.117 2.445 11.689 463 2HB ALA 59 2HB ALA 59 -5.544 1.410 11.658 464 3HB ALA 59 3HB ALA 59 -5.668 3.096 11.157 465 H ASN 60 H ASN 60 -2.876 3.553 9.496 466 HA ASN 60 HA ASN 60 -4.258 5.686 8.345 467 1HB ASN 60 2HB ASN 60 -1.980 6.502 7.658 468 2HB ASN 60 1HB ASN 60 -2.126 6.083 9.362 469 1HD2 ASN 60 1HD2 ASN 60 -1.112 4.219 10.133 470 2HD2 ASN 60 2HD2 ASN 60 0.156 3.444 9.253 471 H GLY 61 H GLY 61 -2.984 2.799 6.916 472 1HA GLY 61 2HA GLY 61 -3.829 2.060 4.794 473 2HA GLY 61 1HA GLY 61 -3.949 3.741 4.300 474 H ASP 62 H ASP 62 -1.163 2.321 5.902 475 HA ASP 62 HA ASP 62 0.382 2.778 3.438 476 1HB ASP 62 2HB ASP 62 1.083 3.124 6.337 477 2HB ASP 62 1HB ASP 62 2.347 2.883 5.136 478 H LEU 63 H LEU 63 2.124 1.327 2.959 479 HA LEU 63 HA LEU 63 1.440 -1.448 3.592 480 1HB LEU 63 2HB LEU 63 2.166 -0.570 1.313 481 2HB LEU 63 1HB LEU 63 3.786 -0.448 1.974 482 HG LEU 63 HG LEU 63 3.528 -2.955 2.534 483 1HD1 LEU 63 1HD1 LEU 63 1.574 -2.902 0.268 484 2HD1 LEU 63 2HD1 LEU 63 1.024 -2.809 1.941 485 3HD1 LEU 63 3HD1 LEU 63 1.944 -4.212 1.392 486 1HD2 LEU 63 1HD2 LEU 63 5.124 -2.473 0.946 487 2HD2 LEU 63 2HD2 LEU 63 3.965 -1.709 -0.142 488 3HD2 LEU 63 3HD2 LEU 63 3.998 -3.465 0.019 489 H LYS 64 H LYS 64 2.311 -2.577 5.220 490 HA LYS 64 HA LYS 64 4.781 -1.560 6.444 491 1HB LYS 64 2HB LYS 64 2.814 -1.671 7.921 492 2HB LYS 64 1HB LYS 64 2.678 -3.395 7.607 493 1HG LYS 64 2HG LYS 64 3.911 -3.674 9.433 494 2HG LYS 64 1HG LYS 64 5.278 -3.127 8.460 495 1HD LYS 64 2HD LYS 64 4.173 -0.758 9.214 496 2HD LYS 64 1HD LYS 64 3.829 -1.766 10.622 497 1HE LYS 64 2HE LYS 64 6.329 -2.457 10.393 498 2HE LYS 64 1HE LYS 64 6.464 -0.972 9.453 499 1HZ LYS 64 1HZ LYS 64 6.044 -1.329 12.304 500 2HZ LYS 64 2HZ LYS 64 5.155 -0.082 11.586 501 3HZ LYS 64 3HZ LYS 64 6.843 -0.091 11.472 502 H ILE 65 H ILE 65 6.529 -2.575 5.728 503 HA ILE 65 HA ILE 65 6.399 -5.385 4.935 504 HB ILE 65 HB ILE 65 8.904 -3.736 4.847 505 1HG1 ILE 65 2HG1 ILE 65 6.591 -3.604 2.897 506 2HG1 ILE 65 1HG1 ILE 65 7.279 -2.277 3.824 507 1HG2 ILE 65 1HG2 ILE 65 8.764 -5.227 2.568 508 2HG2 ILE 65 2HG2 ILE 65 7.920 -6.252 3.727 509 3HG2 ILE 65 3HG2 ILE 65 9.568 -5.720 4.056 510 1HD1 ILE 65 1HD1 ILE 65 8.496 -1.809 2.034 511 2HD1 ILE 65 2HD1 ILE 65 8.060 -3.331 1.254 512 3HD1 ILE 65 3HD1 ILE 65 9.420 -3.272 2.375 513 H LYS 66 H LYS 66 6.911 -6.951 6.338 514 HA LYS 66 HA LYS 66 8.075 -6.296 8.887 515 1HB LYS 66 2HB LYS 66 6.258 -7.914 8.765 516 2HB LYS 66 1HB LYS 66 7.231 -8.953 7.733 517 1HG LYS 66 2HG LYS 66 8.394 -8.232 10.349 518 2HG LYS 66 1HG LYS 66 6.994 -9.306 10.369 519 1HD LYS 66 2HD LYS 66 8.106 -11.000 9.310 520 2HD LYS 66 1HD LYS 66 9.179 -9.899 8.443 521 1HE LYS 66 2HE LYS 66 10.380 -9.445 10.535 522 2HE LYS 66 1HE LYS 66 9.322 -10.574 11.380 523 1HZ LYS 66 1HZ LYS 66 10.187 -12.142 9.444 524 2HZ LYS 66 2HZ LYS 66 11.017 -11.970 10.908 525 3HZ LYS 66 3HZ LYS 66 11.522 -11.107 9.544 526 H ASN 67 H ASN 67 9.090 -7.953 5.991 527 HA ASN 67 HA ASN 67 11.854 -7.835 6.920 528 1HB ASN 67 2HB ASN 67 11.088 -10.084 7.532 529 2HB ASN 67 1HB ASN 67 10.556 -10.363 5.877 530 1HD2 ASN 67 1HD2 ASN 67 12.867 -11.145 7.960 531 2HD2 ASN 67 2HD2 ASN 67 14.203 -11.379 6.890 532 H LEU 68 H LEU 68 12.712 -6.544 5.396 533 HA LEU 68 HA LEU 68 11.772 -6.246 2.796 534 1HB LEU 68 2HB LEU 68 14.380 -5.614 4.127 535 2HB LEU 68 1HB LEU 68 14.143 -5.303 2.417 536 HG LEU 68 HG LEU 68 12.062 -4.268 4.231 537 1HD1 LEU 68 1HD1 LEU 68 13.369 -2.298 4.826 538 2HD1 LEU 68 2HD1 LEU 68 14.794 -3.005 4.063 539 3HD1 LEU 68 3HD1 LEU 68 14.094 -3.759 5.493 540 1HD2 LEU 68 1HD2 LEU 68 13.510 -2.878 2.010 541 2HD2 LEU 68 2HD2 LEU 68 11.897 -2.559 2.649 542 3HD2 LEU 68 3HD2 LEU 68 12.200 -4.021 1.713 543 H THR 69 H THR 69 12.393 -7.030 0.846 544 HA THR 69 HA THR 69 14.397 -9.151 0.737 545 HB THR 69 HB THR 69 12.721 -10.497 -0.685 546 HG1 THR 69 1HG THR 69 10.990 -9.247 -0.907 547 1HG2 THR 69 1HG2 THR 69 12.335 -10.249 2.284 548 2HG2 THR 69 2HG2 THR 69 13.411 -11.358 1.432 549 3HG2 THR 69 3HG2 THR 69 11.662 -11.539 1.286 550 H ARG 70 H ARG 70 14.854 -9.817 -1.545 551 HA ARG 70 HA ARG 70 15.608 -7.673 -3.113 552 1HB ARG 70 2HB ARG 70 14.925 -10.458 -4.078 553 2HB ARG 70 1HB ARG 70 15.904 -9.282 -4.944 554 1HG ARG 70 2HG ARG 70 16.586 -10.529 -2.288 555 2HG ARG 70 1HG ARG 70 17.287 -10.958 -3.851 556 1HD ARG 70 2HD ARG 70 17.753 -8.317 -3.861 557 2HD ARG 70 1HD ARG 70 17.777 -8.609 -2.123 558 HE ARG 70 HE ARG 70 19.759 -9.733 -2.369 559 1HH1 ARG 70 1HH1 ARG 70 18.293 -9.313 -5.507 560 2HH1 ARG 70 2HH1 ARG 70 19.684 -9.876 -6.371 561 1HH2 ARG 70 1HH2 ARG 70 21.590 -10.474 -3.503 562 2HH2 ARG 70 2HH2 ARG 70 21.556 -10.536 -5.233 563 H ASP 71 H ASP 71 12.779 -9.772 -3.677 564 HA ASP 71 HA ASP 71 11.732 -8.461 -5.873 565 1HB ASP 71 2HB ASP 71 10.892 -10.620 -5.063 566 2HB ASP 71 1HB ASP 71 10.206 -9.829 -3.647 567 H ASP 72 H ASP 72 11.766 -7.440 -2.560 568 HA ASP 72 HA ASP 72 9.585 -5.607 -2.765 569 1HB ASP 72 2HB ASP 72 11.858 -5.600 -0.769 570 2HB ASP 72 1HB ASP 72 10.316 -4.768 -0.604 571 H SER 73 H SER 73 12.765 -5.542 -3.939 572 HA SER 73 HA SER 73 13.091 -2.675 -3.801 573 1HB SER 73 2HB SER 73 15.229 -3.009 -4.638 574 2HB SER 73 1HB SER 73 14.935 -4.561 -3.855 575 HG SER 73 HG SER 73 15.534 -5.211 -5.798 576 H GLY 74 H GLY 74 12.032 -1.341 -5.128 577 1HA GLY 74 2HA GLY 74 12.154 -1.237 -7.831 578 2HA GLY 74 1HA GLY 74 10.814 -2.334 -7.533 579 H THR 75 H THR 75 9.183 -0.969 -8.317 580 HA THR 75 HA THR 75 8.772 1.523 -6.764 581 HB THR 75 HB THR 75 8.476 0.914 -9.681 582 HG1 THR 75 1HG THR 75 9.842 2.486 -9.792 583 1HG2 THR 75 1HG2 THR 75 7.075 2.848 -10.057 584 2HG2 THR 75 2HG2 THR 75 6.907 3.090 -8.319 585 3HG2 THR 75 3HG2 THR 75 6.227 1.651 -9.080 586 H TYR 76 H TYR 76 6.900 1.701 -5.691 587 HA TYR 76 HA TYR 76 4.885 -0.402 -6.076 588 1HB TYR 76 2HB TYR 76 5.514 1.379 -3.718 589 2HB TYR 76 1HB TYR 76 4.072 0.374 -3.798 590 HD1 TYR 76 1HD TYR 76 4.157 -1.861 -3.103 591 HD2 TYR 76 2HD TYR 76 7.788 0.197 -3.930 592 HE1 TYR 76 1HE TYR 76 5.438 -3.763 -2.206 593 HE2 TYR 76 2HE TYR 76 9.068 -1.697 -3.041 594 HH TYR 76 HH TYR 76 8.973 -3.655 -1.970 595 H ASN 77 H ASN 77 2.883 0.082 -6.766 596 HA ASN 77 HA ASN 77 2.218 2.935 -7.100 597 1HB ASN 77 2HB ASN 77 2.167 0.706 -8.942 598 2HB ASN 77 1HB ASN 77 0.568 1.431 -8.804 599 1HD2 ASN 77 1HD2 ASN 77 2.400 1.423 -11.051 600 2HD2 ASN 77 2HD2 ASN 77 2.710 3.080 -11.430 601 H VAL 78 H VAL 78 0.552 3.675 -5.947 602 HA VAL 78 HA VAL 78 -1.334 1.713 -4.840 603 HB VAL 78 HB VAL 78 -1.475 4.470 -3.797 604 1HG1 VAL 78 1HG1 VAL 78 -2.510 3.418 -2.141 605 2HG1 VAL 78 2HG1 VAL 78 -1.150 2.320 -1.897 606 3HG1 VAL 78 3HG1 VAL 78 -2.382 1.946 -3.098 607 1HG2 VAL 78 1HG2 VAL 78 0.834 4.560 -3.721 608 2HG2 VAL 78 2HG2 VAL 78 1.006 2.819 -3.495 609 3HG2 VAL 78 3HG2 VAL 78 0.450 3.833 -2.159 610 H THR 79 H THR 79 -3.398 1.718 -5.446 611 HA THR 79 HA THR 79 -4.403 4.030 -6.970 612 HB THR 79 HB THR 79 -5.902 1.581 -7.412 613 HG1 THR 79 1HG THR 79 -4.373 0.250 -7.917 614 1HG2 THR 79 1HG2 THR 79 -5.337 3.858 -8.826 615 2HG2 THR 79 2HG2 THR 79 -6.134 2.414 -9.453 616 3HG2 THR 79 3HG2 THR 79 -4.394 2.623 -9.660 617 H VAL 80 H VAL 80 -5.408 5.131 -5.376 618 HA VAL 80 HA VAL 80 -7.102 3.754 -3.461 619 HB VAL 80 HB VAL 80 -6.381 6.673 -3.782 620 1HG1 VAL 80 1HG1 VAL 80 -8.640 6.422 -2.826 621 2HG1 VAL 80 2HG1 VAL 80 -7.484 7.097 -1.677 622 3HG1 VAL 80 3HG1 VAL 80 -7.966 5.402 -1.555 623 1HG2 VAL 80 1HG2 VAL 80 -4.847 4.659 -2.788 624 2HG2 VAL 80 2HG2 VAL 80 -5.662 5.224 -1.331 625 3HG2 VAL 80 3HG2 VAL 80 -4.718 6.349 -2.305 626 H TYR 81 H TYR 81 -9.198 3.420 -3.728 627 HA TYR 81 HA TYR 81 -10.642 5.075 -5.687 628 1HB TYR 81 2HB TYR 81 -11.230 2.260 -4.815 629 2HB TYR 81 1HB TYR 81 -12.186 3.183 -5.944 630 HD1 TYR 81 1HD TYR 81 -11.310 3.710 -8.189 631 HD2 TYR 81 2HD TYR 81 -9.154 1.225 -5.492 632 HE1 TYR 81 1HE TYR 81 -9.920 2.906 -10.050 633 HE2 TYR 81 2HE TYR 81 -7.760 0.413 -7.348 634 HH TYR 81 HH TYR 81 -7.784 1.885 -10.447 635 H SER 82 H SER 82 -12.739 5.673 -5.245 636 HA SER 82 HA SER 82 -13.294 6.122 -2.428 637 1HB SER 82 2HB SER 82 -15.299 7.306 -4.034 638 2HB SER 82 1HB SER 82 -13.979 8.099 -3.176 639 HG SER 82 HG SER 82 -13.373 8.611 -5.129 640 H THR 83 H THR 83 -15.711 6.143 -1.864 641 HA THR 83 HA THR 83 -16.667 3.509 -1.904 642 HB THR 83 HB THR 83 -18.823 4.598 -1.059 643 HG1 THR 83 1HG THR 83 -18.565 6.799 -0.475 644 1HG2 THR 83 1HG2 THR 83 -17.161 3.763 0.502 645 2HG2 THR 83 2HG2 THR 83 -17.887 5.262 1.083 646 3HG2 THR 83 3HG2 THR 83 -16.271 5.280 0.378 647 H ASN 84 H ASN 84 -16.983 6.024 -4.215 648 HA ASN 84 HA ASN 84 -19.326 4.803 -5.456 649 1HB ASN 84 2HB ASN 84 -17.774 7.286 -6.220 650 2HB ASN 84 1HB ASN 84 -19.265 6.739 -6.979 651 1HD2 ASN 84 1HD2 ASN 84 -17.857 7.884 -3.973 652 2HD2 ASN 84 2HD2 ASN 84 -19.322 8.517 -3.311 653 H GLY 85 H GLY 85 -16.611 3.523 -5.385 654 1HA GLY 85 2HA GLY 85 -15.270 2.305 -6.791 655 2HA GLY 85 1HA GLY 85 -16.623 2.348 -7.909 656 H THR 86 H THR 86 -15.202 5.336 -6.890 657 HA THR 86 HA THR 86 -14.171 5.718 -9.607 658 HB THR 86 HB THR 86 -14.092 8.073 -7.905 659 HG1 THR 86 1HG THR 86 -15.851 7.510 -6.840 660 1HG2 THR 86 1HG2 THR 86 -14.751 7.393 -10.596 661 2HG2 THR 86 2HG2 THR 86 -14.400 8.973 -9.894 662 3HG2 THR 86 3HG2 THR 86 -16.051 8.352 -9.890 663 H ARG 87 H ARG 87 -12.232 7.370 -9.589 664 HA ARG 87 HA ARG 87 -10.173 6.133 -7.911 665 1HB ARG 87 2HB ARG 87 -10.093 6.443 -10.540 666 2HB ARG 87 1HB ARG 87 -9.504 8.044 -10.109 667 1HG ARG 87 2HG ARG 87 -7.689 7.036 -8.828 668 2HG ARG 87 1HG ARG 87 -8.284 5.429 -9.249 669 1HD ARG 87 2HD ARG 87 -8.012 6.115 -11.671 670 2HD ARG 87 1HD ARG 87 -7.133 7.523 -11.077 671 HE ARG 87 HE ARG 87 -5.854 5.465 -9.886 672 1HH1 ARG 87 1HH1 ARG 87 -6.729 6.118 -13.202 673 2HH1 ARG 87 2HH1 ARG 87 -5.381 5.253 -13.859 674 1HH2 ARG 87 1HH2 ARG 87 -4.081 4.325 -10.750 675 2HH2 ARG 87 2HH2 ARG 87 -3.877 4.234 -12.467 676 H ILE 88 H ILE 88 -9.281 7.180 -6.263 677 HA ILE 88 HA ILE 88 -9.913 10.023 -5.921 678 HB ILE 88 HB ILE 88 -8.919 8.010 -3.902 679 1HG1 ILE 88 2HG1 ILE 88 -11.647 9.247 -4.336 680 2HG1 ILE 88 1HG1 ILE 88 -11.211 7.559 -4.587 681 1HG2 ILE 88 1HG2 ILE 88 -10.072 10.307 -2.692 682 2HG2 ILE 88 2HG2 ILE 88 -8.852 10.846 -3.844 683 3HG2 ILE 88 3HG2 ILE 88 -8.417 9.709 -2.567 684 1HD1 ILE 88 1HD1 ILE 88 -12.303 8.652 -2.309 685 2HD1 ILE 88 2HD1 ILE 88 -10.598 8.457 -1.905 686 3HD1 ILE 88 3HD1 ILE 88 -11.539 7.069 -2.449 687 H LEU 89 H LEU 89 -7.158 7.864 -5.170 688 HA LEU 89 HA LEU 89 -5.360 9.932 -6.201 689 1HB LEU 89 2HB LEU 89 -5.398 10.404 -3.871 690 2HB LEU 89 1HB LEU 89 -5.253 8.708 -3.455 691 HG LEU 89 HG LEU 89 -3.024 9.880 -5.022 692 1HD1 LEU 89 1HD1 LEU 89 -2.199 11.272 -3.453 693 2HD1 LEU 89 2HD1 LEU 89 -2.842 10.320 -2.114 694 3HD1 LEU 89 3HD1 LEU 89 -3.897 11.422 -2.998 695 1HD2 LEU 89 1HD2 LEU 89 -1.976 8.514 -2.922 696 2HD2 LEU 89 2HD2 LEU 89 -2.390 7.794 -4.477 697 3HD2 LEU 89 3HD2 LEU 89 -3.522 7.691 -3.129 698 H ASN 90 H ASN 90 -3.791 9.161 -7.415 699 HA ASN 90 HA ASN 90 -3.094 6.304 -7.218 700 1HB ASN 90 2HB ASN 90 -4.339 6.782 -9.296 701 2HB ASN 90 1HB ASN 90 -3.165 8.026 -9.713 702 1HD2 ASN 90 1HD2 ASN 90 -2.806 4.742 -8.428 703 2HD2 ASN 90 2HD2 ASN 90 -1.782 4.174 -9.698 704 H LYS 91 H LYS 91 -1.155 6.240 -6.237 705 HA LYS 91 HA LYS 91 0.868 8.209 -7.108 706 1HB LYS 91 2HB LYS 91 0.516 6.963 -4.384 707 2HB LYS 91 1HB LYS 91 1.863 7.990 -4.844 708 1HG LYS 91 2HG LYS 91 -0.932 8.983 -5.146 709 2HG LYS 91 1HG LYS 91 -0.157 8.984 -3.562 710 1HD LYS 91 2HD LYS 91 1.504 10.482 -4.247 711 2HD LYS 91 1HD LYS 91 1.203 10.173 -5.958 712 1HE LYS 91 2HE LYS 91 -1.178 11.131 -5.361 713 2HE LYS 91 1HE LYS 91 -0.291 11.893 -4.040 714 1HZ LYS 91 1HZ LYS 91 0.529 12.115 -6.880 715 2HZ LYS 91 2HZ LYS 91 1.101 13.014 -5.567 716 3HZ LYS 91 3HZ LYS 91 -0.482 13.239 -6.120 717 H ALA 92 H ALA 92 3.091 7.556 -6.953 718 HA ALA 92 HA ALA 92 3.593 4.675 -7.016 719 1HB ALA 92 1HB ALA 92 4.537 4.650 -9.112 720 2HB ALA 92 2HB ALA 92 4.868 6.383 -9.100 721 3HB ALA 92 3HB ALA 92 3.223 5.804 -9.347 722 H LEU 93 H LEU 93 5.244 4.243 -5.700 723 HA LEU 93 HA LEU 93 7.283 6.331 -5.276 724 1HB LEU 93 2HB LEU 93 6.511 4.230 -3.262 725 2HB LEU 93 1HB LEU 93 7.504 5.652 -3.005 726 HG LEU 93 HG LEU 93 5.359 6.980 -3.613 727 1HD1 LEU 93 1HD1 LEU 93 3.750 5.557 -4.325 728 2HD1 LEU 93 2HD1 LEU 93 3.409 5.464 -2.598 729 3HD1 LEU 93 3HD1 LEU 93 4.368 4.205 -3.376 730 1HD2 LEU 93 1HD2 LEU 93 6.325 7.058 -1.422 731 2HD2 LEU 93 2HD2 LEU 93 5.692 5.458 -1.033 732 3HD2 LEU 93 3HD2 LEU 93 4.586 6.815 -1.253 733 H ASP 94 H ASP 94 9.399 5.459 -4.514 734 HA ASP 94 HA ASP 94 9.989 2.863 -5.776 735 1HB ASP 94 2HB ASP 94 11.797 5.289 -5.736 736 2HB ASP 94 1HB ASP 94 12.136 3.744 -6.511 737 H LEU 95 H LEU 95 11.154 1.440 -4.589 738 HA LEU 95 HA LEU 95 12.372 2.417 -2.090 739 1HB LEU 95 2HB LEU 95 10.190 1.272 -1.724 740 2HB LEU 95 1HB LEU 95 10.872 -0.168 -2.442 741 HG LEU 95 HG LEU 95 12.375 0.963 -0.160 742 1HD1 LEU 95 1HD1 LEU 95 9.945 1.156 0.454 743 2HD1 LEU 95 2HD1 LEU 95 10.932 0.144 1.509 744 3HD1 LEU 95 3HD1 LEU 95 9.861 -0.601 0.323 745 1HD2 LEU 95 1HD2 LEU 95 11.659 -1.753 -1.194 746 2HD2 LEU 95 2HD2 LEU 95 12.461 -1.500 0.357 747 3HD2 LEU 95 3HD2 LEU 95 13.240 -0.972 -1.138 748 H ARG 96 H ARG 96 14.430 1.683 -1.748 749 HA ARG 96 HA ARG 96 15.467 -0.384 -3.546 750 1HB ARG 96 2HB ARG 96 17.509 1.143 -2.160 751 2HB ARG 96 1HB ARG 96 17.270 0.871 -3.869 752 1HG ARG 96 2HG ARG 96 15.752 2.938 -2.320 753 2HG ARG 96 1HG ARG 96 17.256 3.263 -3.173 754 1HD ARG 96 2HD ARG 96 14.573 2.536 -4.286 755 2HD ARG 96 1HD ARG 96 15.612 3.899 -4.695 756 HE ARG 96 HE ARG 96 17.111 1.859 -5.511 757 1HH1 ARG 96 1HH1 ARG 96 13.716 2.518 -6.006 758 2HH1 ARG 96 2HH1 ARG 96 13.653 1.692 -7.526 759 1HH2 ARG 96 1HH2 ARG 96 17.025 0.776 -7.510 760 2HH2 ARG 96 2HH2 ARG 96 15.529 0.704 -8.380 761 H ILE 97 H ILE 97 16.297 -2.211 -2.737 762 HA ILE 97 HA ILE 97 16.308 -2.528 0.179 763 HB ILE 97 HB ILE 97 16.561 -4.753 -1.833 764 1HG1 ILE 97 2HG1 ILE 97 14.497 -3.346 -2.230 765 2HG1 ILE 97 1HG1 ILE 97 14.193 -5.040 -1.861 766 1HG2 ILE 97 1HG2 ILE 97 16.069 -4.540 1.088 767 2HG2 ILE 97 2HG2 ILE 97 17.054 -5.689 0.184 768 3HG2 ILE 97 3HG2 ILE 97 15.299 -5.861 0.206 769 1HD1 ILE 97 1HD1 ILE 97 13.635 -4.456 0.424 770 2HD1 ILE 97 2HD1 ILE 97 12.635 -3.559 -0.719 771 3HD1 ILE 97 3HD1 ILE 97 13.986 -2.761 0.087 772 H LEU 98 H LEU 98 18.299 -1.911 0.912 773 HA LEU 98 HA LEU 98 20.712 -2.486 -0.462 774 1HB LEU 98 2HB LEU 98 19.867 -1.191 2.059 775 2HB LEU 98 1HB LEU 98 21.488 -1.825 2.015 776 HG LEU 98 HG LEU 98 20.379 0.130 0.017 777 1HD1 LEU 98 1HD1 LEU 98 21.305 1.879 1.197 778 2HD1 LEU 98 2HD1 LEU 98 22.408 0.833 2.092 779 3HD1 LEU 98 3HD1 LEU 98 20.692 0.858 2.497 780 1HD2 LEU 98 1HD2 LEU 98 23.274 -0.099 0.400 781 2HD2 LEU 98 2HD2 LEU 98 22.329 0.013 -1.085 782 3HD2 LEU 98 3HD2 LEU 98 22.513 -1.541 -0.270 783 H GLU 99 H GLU 99 21.783 -4.332 -0.431 784 HA GLU 99 HA GLU 99 20.958 -6.607 0.982 785 1HB GLU 99 2HB GLU 99 23.553 -5.954 -0.411 786 2HB GLU 99 1HB GLU 99 23.215 -7.532 0.287 787 1HG GLU 99 2HG GLU 99 21.122 -6.540 -1.498 788 2HG GLU 99 1HG GLU 99 22.683 -6.799 -2.277 Start of MODEL 17 1 1H ARG 1 1H ARG 1 12.867 16.302 1.552 2 2H ARG 1 2H ARG 1 13.265 14.995 2.591 3 3H ARG 1 3H ARG 1 12.006 16.081 3.017 4 HA ARG 1 HA ARG 1 10.629 15.326 1.339 5 1HB ARG 1 2HB ARG 1 11.444 13.629 -0.293 6 2HB ARG 1 1HB ARG 1 12.267 15.178 -0.429 7 1HG ARG 1 2HG ARG 1 13.539 13.184 1.331 8 2HG ARG 1 1HG ARG 1 13.534 12.819 -0.396 9 1HD ARG 1 2HD ARG 1 14.277 15.577 0.315 10 2HD ARG 1 1HD ARG 1 15.409 14.332 0.840 11 HE ARG 1 HE ARG 1 15.074 15.286 -1.790 12 1HH1 ARG 1 1HH1 ARG 1 15.579 12.314 -0.035 13 2HH1 ARG 1 2HH1 ARG 1 16.386 11.528 -1.349 14 1HH2 ARG 1 1HH2 ARG 1 16.134 14.254 -3.521 15 2HH2 ARG 1 2HH2 ARG 1 16.702 12.630 -3.329 16 H ASP 2 H ASP 2 9.218 13.764 1.919 17 HA ASP 2 HA ASP 2 10.190 11.725 3.804 18 1HB ASP 2 2HB ASP 2 7.337 12.658 3.453 19 2HB ASP 2 1HB ASP 2 7.995 11.690 4.768 20 H SER 3 H SER 3 7.429 12.029 1.563 21 HA SER 3 HA SER 3 7.279 9.231 1.110 22 1HB SER 3 2HB SER 3 5.648 11.430 0.600 23 2HB SER 3 1HB SER 3 6.082 10.837 -1.003 24 HG SER 3 HG SER 3 4.837 9.413 1.105 25 H GLY 4 H GLY 4 6.956 8.940 -1.619 26 1HA GLY 4 2HA GLY 4 8.098 8.691 -3.610 27 2HA GLY 4 1HA GLY 4 9.209 9.940 -3.071 28 H THR 5 H THR 5 11.010 8.824 -3.831 29 HA THR 5 HA THR 5 11.713 6.194 -3.477 30 HB THR 5 HB THR 5 13.767 8.350 -3.077 31 HG1 THR 5 1HG THR 5 12.605 7.674 -5.570 32 1HG2 THR 5 1HG2 THR 5 13.828 5.593 -3.792 33 2HG2 THR 5 2HG2 THR 5 15.167 6.705 -3.508 34 3HG2 THR 5 3HG2 THR 5 14.465 6.564 -5.120 35 H VAL 6 H VAL 6 12.778 4.998 -1.988 36 HA VAL 6 HA VAL 6 13.215 6.141 0.661 37 HB VAL 6 HB VAL 6 10.885 4.906 0.199 38 1HG1 VAL 6 1HG1 VAL 6 10.914 2.630 0.830 39 2HG1 VAL 6 2HG1 VAL 6 12.659 2.683 1.090 40 3HG1 VAL 6 3HG1 VAL 6 12.001 2.891 -0.534 41 1HG2 VAL 6 1HG2 VAL 6 11.295 5.938 2.300 42 2HG2 VAL 6 2HG2 VAL 6 12.567 4.780 2.696 43 3HG2 VAL 6 3HG2 VAL 6 10.883 4.259 2.645 44 H TRP 7 H TRP 7 14.721 5.001 1.930 45 HA TRP 7 HA TRP 7 16.205 2.916 0.472 46 1HB TRP 7 2HB TRP 7 17.279 5.038 2.342 47 2HB TRP 7 1HB TRP 7 18.237 3.733 1.646 48 HD1 TRP 7 HD TRP 7 16.432 6.975 0.653 49 HE1 TRP 7 1HE TRP 7 17.351 7.758 -1.620 50 HE3 TRP 7 3HE TRP 7 19.366 2.941 -0.464 51 HZ2 TRP 7 2HZ TRP 7 19.093 6.792 -3.621 52 HZ3 TRP 7 3HZ TRP 7 20.627 2.948 -2.578 53 HH2 TRP 7 HH TRP 7 20.491 4.834 -4.123 54 H GLY 8 H GLY 8 16.421 1.005 1.441 55 1HA GLY 8 2HA GLY 8 16.200 0.872 4.374 56 2HA GLY 8 1HA GLY 8 15.051 -0.063 3.441 57 H ALA 9 H ALA 9 16.353 -1.618 5.036 58 HA ALA 9 HA ALA 9 18.514 -2.797 3.418 59 1HB ALA 9 1HB ALA 9 18.343 -2.708 6.426 60 2HB ALA 9 2HB ALA 9 19.475 -1.810 5.413 61 3HB ALA 9 3HB ALA 9 19.566 -3.570 5.493 62 H LEU 10 H LEU 10 18.360 -4.904 2.964 63 HA LEU 10 HA LEU 10 15.957 -6.277 3.143 64 1HB LEU 10 2HB LEU 10 18.344 -6.714 1.916 65 2HB LEU 10 1HB LEU 10 18.390 -7.953 3.154 66 HG LEU 10 HG LEU 10 15.997 -8.546 2.235 67 1HD1 LEU 10 1HD1 LEU 10 15.403 -7.162 0.573 68 2HD1 LEU 10 2HD1 LEU 10 16.470 -8.161 -0.414 69 3HD1 LEU 10 3HD1 LEU 10 17.061 -6.646 0.270 70 1HD2 LEU 10 1HD2 LEU 10 18.341 -9.258 0.513 71 2HD2 LEU 10 2HD2 LEU 10 16.965 -10.254 0.982 72 3HD2 LEU 10 3HD2 LEU 10 18.200 -9.841 2.171 73 H GLY 11 H GLY 11 14.995 -7.566 4.586 74 1HA GLY 11 2HA GLY 11 14.802 -8.978 6.433 75 2HA GLY 11 1HA GLY 11 16.488 -8.670 6.816 76 H HIS 12 H HIS 12 15.357 -5.653 6.362 77 HA HIS 12 HA HIS 12 14.685 -5.399 9.206 78 1HB HIS 12 2HB HIS 12 16.394 -3.938 9.128 79 2HB HIS 12 1HB HIS 12 16.390 -3.908 7.372 80 HD1 HIS 12 1HD HIS 12 15.129 -2.047 10.347 81 HD2 HIS 12 2HD HIS 12 15.003 -1.840 6.212 82 HE1 HIS 12 1HE HIS 12 14.340 0.286 9.824 83 HE2 HIS 12 2HE HIS 12 14.182 0.362 7.309 84 H GLY 13 H GLY 13 13.215 -3.465 9.666 85 1HA GLY 13 2HA GLY 13 10.762 -3.918 8.235 86 2HA GLY 13 1HA GLY 13 10.989 -2.833 9.598 87 H ILE 14 H ILE 14 9.362 -2.156 7.466 88 HA ILE 14 HA ILE 14 10.336 0.385 6.796 89 HB ILE 14 HB ILE 14 11.808 -1.004 5.308 90 1HG1 ILE 14 2HG1 ILE 14 10.929 0.372 3.161 91 2HG1 ILE 14 1HG1 ILE 14 10.060 1.218 4.437 92 1HG2 ILE 14 1HG2 ILE 14 9.167 -1.699 4.082 93 2HG2 ILE 14 2HG2 ILE 14 10.472 -2.771 4.584 94 3HG2 ILE 14 3HG2 ILE 14 10.663 -1.757 3.155 95 1HD1 ILE 14 1HD1 ILE 14 12.008 1.964 5.440 96 2HD1 ILE 14 2HD1 ILE 14 12.372 2.077 3.719 97 3HD1 ILE 14 3HD1 ILE 14 12.999 0.726 4.666 98 H ASP 15 H ASP 15 8.702 1.684 6.079 99 HA ASP 15 HA ASP 15 6.192 0.352 5.298 100 1HB ASP 15 2HB ASP 15 5.976 1.129 7.586 101 2HB ASP 15 1HB ASP 15 6.543 2.732 7.131 102 H LEU 16 H LEU 16 5.183 1.114 3.546 103 HA LEU 16 HA LEU 16 6.441 3.261 2.038 104 1HB LEU 16 2HB LEU 16 4.699 0.979 1.473 105 2HB LEU 16 1HB LEU 16 4.181 2.426 0.644 106 HG LEU 16 HG LEU 16 5.697 2.115 -0.951 107 1HD1 LEU 16 1HD1 LEU 16 7.396 3.279 0.274 108 2HD1 LEU 16 2HD1 LEU 16 8.118 1.881 -0.519 109 3HD1 LEU 16 3HD1 LEU 16 7.778 1.830 1.209 110 1HD2 LEU 16 1HD2 LEU 16 6.753 -0.316 0.443 111 2HD2 LEU 16 2HD2 LEU 16 6.560 -0.023 -1.285 112 3HD2 LEU 16 3HD2 LEU 16 5.141 -0.281 -0.271 113 H ASP 17 H ASP 17 5.744 5.316 2.149 114 HA ASP 17 HA ASP 17 3.092 5.797 3.310 115 1HB ASP 17 2HB ASP 17 5.563 7.506 3.146 116 2HB ASP 17 1HB ASP 17 3.990 8.169 3.581 117 H ILE 18 H ILE 18 1.498 6.489 2.113 118 HA ILE 18 HA ILE 18 1.876 7.130 -0.666 119 HB ILE 18 HB ILE 18 -0.635 7.173 1.004 120 1HG1 ILE 18 2HG1 ILE 18 0.819 5.021 -0.466 121 2HG1 ILE 18 1HG1 ILE 18 0.011 4.947 1.087 122 1HG2 ILE 18 1HG2 ILE 18 -1.873 7.228 -1.004 123 2HG2 ILE 18 2HG2 ILE 18 -0.440 6.928 -1.985 124 3HG2 ILE 18 3HG2 ILE 18 -0.640 8.477 -1.169 125 1HD1 ILE 18 1HD1 ILE 18 -2.160 5.205 -0.189 126 2HD1 ILE 18 2HD1 ILE 18 -1.311 3.665 -0.325 127 3HD1 ILE 18 3HD1 ILE 18 -1.210 4.846 -1.632 128 HA PRO 19 HA PRO 19 2.381 11.524 0.152 129 1HB PRO 19 2HB PRO 19 1.909 11.713 -2.766 130 2HB PRO 19 1HB PRO 19 3.259 12.319 -1.802 131 1HG PRO 19 2HG PRO 19 3.552 10.189 -3.383 132 2HG PRO 19 1HG PRO 19 4.347 10.273 -1.799 133 1HD PRO 19 2HD PRO 19 1.887 8.777 -2.611 134 2HD PRO 19 1HD PRO 19 3.208 8.273 -1.538 135 H ASN 20 H ASN 20 0.924 12.953 0.754 136 HA ASN 20 HA ASN 20 -1.130 13.856 1.195 137 1HB ASN 20 2HB ASN 20 -0.159 14.767 -1.116 138 2HB ASN 20 1HB ASN 20 -1.654 14.062 -1.720 139 1HD2 ASN 20 1HD2 ASN 20 -3.572 14.602 -0.154 140 2HD2 ASN 20 2HD2 ASN 20 -3.718 16.279 0.235 141 H PHE 21 H PHE 21 -1.814 11.496 1.797 142 HA PHE 21 HA PHE 21 -4.338 11.014 0.422 143 1HB PHE 21 2HB PHE 21 -3.170 9.313 -0.588 144 2HB PHE 21 1HB PHE 21 -2.094 9.079 0.781 145 HD1 PHE 21 1HD PHE 21 -5.703 8.774 -0.060 146 HD2 PHE 21 2HD PHE 21 -2.352 7.170 1.987 147 HE1 PHE 21 1HE PHE 21 -7.082 6.871 0.697 148 HE2 PHE 21 2HE PHE 21 -3.709 5.257 2.741 149 HZ PHE 21 HZ PHE 21 -6.081 5.107 2.093 150 H GLN 22 H GLN 22 -5.955 10.096 1.730 151 HA GLN 22 HA GLN 22 -5.317 9.797 4.580 152 1HB GLN 22 2HB GLN 22 -7.219 11.711 3.325 153 2HB GLN 22 1HB GLN 22 -7.719 10.938 4.823 154 1HG GLN 22 2HG GLN 22 -6.082 11.964 6.062 155 2HG GLN 22 1HG GLN 22 -5.029 12.207 4.669 156 1HE2 GLN 22 1HE2 GLN 22 -4.723 14.373 4.993 157 2HE2 GLN 22 2HE2 GLN 22 -5.975 15.548 4.797 158 H MET 23 H MET 23 -5.923 7.840 5.194 159 HA MET 23 HA MET 23 -7.942 6.388 3.697 160 1HB MET 23 2HB MET 23 -5.858 5.257 4.343 161 2HB MET 23 1HB MET 23 -6.235 5.526 6.038 162 1HG MET 23 2HG MET 23 -7.062 3.451 5.929 163 2HG MET 23 1HG MET 23 -8.473 4.254 5.242 164 1HE MET 23 1HE MET 23 -9.065 1.791 4.383 165 2HE MET 23 2HE MET 23 -8.848 1.610 2.642 166 3HE MET 23 3HE MET 23 -9.593 3.071 3.291 167 H THR 24 H THR 24 -9.784 7.635 4.301 168 HA THR 24 HA THR 24 -10.672 7.185 7.075 169 HB THR 24 HB THR 24 -12.056 9.172 6.870 170 HG1 THR 24 1HG THR 24 -11.915 10.436 4.966 171 1HG2 THR 24 1HG2 THR 24 -10.453 10.838 6.948 172 2HG2 THR 24 2HG2 THR 24 -9.426 10.043 5.754 173 3HG2 THR 24 3HG2 THR 24 -9.551 9.386 7.386 174 H ASP 25 H ASP 25 -13.308 7.627 6.927 175 HA ASP 25 HA ASP 25 -14.352 5.241 5.921 176 1HB ASP 25 2HB ASP 25 -16.581 6.285 6.326 177 2HB ASP 25 1HB ASP 25 -15.483 6.430 7.695 178 H ASP 26 H ASP 26 -14.007 8.393 4.454 179 HA ASP 26 HA ASP 26 -15.776 8.068 2.295 180 1HB ASP 26 2HB ASP 26 -13.457 9.833 2.897 181 2HB ASP 26 1HB ASP 26 -13.967 9.716 1.216 182 H ILE 27 H ILE 27 -12.620 6.780 2.904 183 HA ILE 27 HA ILE 27 -12.043 6.142 0.169 184 HB ILE 27 HB ILE 27 -10.753 5.326 2.771 185 1HG1 ILE 27 2HG1 ILE 27 -10.484 7.681 2.142 186 2HG1 ILE 27 1HG1 ILE 27 -8.959 6.821 2.017 187 1HG2 ILE 27 1HG2 ILE 27 -8.916 4.401 1.461 188 2HG2 ILE 27 2HG2 ILE 27 -9.804 4.722 -0.028 189 3HG2 ILE 27 3HG2 ILE 27 -10.422 3.545 1.133 190 1HD1 ILE 27 1HD1 ILE 27 -10.688 7.934 -0.127 191 2HD1 ILE 27 2HD1 ILE 27 -9.666 6.542 -0.483 192 3HD1 ILE 27 3HD1 ILE 27 -8.941 8.045 0.088 193 H ASP 28 H ASP 28 -12.719 4.289 -0.920 194 HA ASP 28 HA ASP 28 -14.093 2.250 0.660 195 1HB ASP 28 2HB ASP 28 -14.972 3.608 -1.519 196 2HB ASP 28 1HB ASP 28 -14.311 2.166 -2.280 197 H GLU 29 H GLU 29 -11.564 2.665 -1.819 198 HA GLU 29 HA GLU 29 -10.612 0.002 -1.044 199 1HB GLU 29 2HB GLU 29 -10.844 0.727 -3.963 200 2HB GLU 29 1HB GLU 29 -10.347 -0.808 -3.274 201 1HG GLU 29 2HG GLU 29 -12.734 -0.668 -2.170 202 2HG GLU 29 1HG GLU 29 -13.048 0.351 -3.576 203 H VAL 30 H VAL 30 -8.489 -0.459 -1.452 204 HA VAL 30 HA VAL 30 -6.731 1.661 -2.422 205 HB VAL 30 HB VAL 30 -6.338 0.396 0.296 206 1HG1 VAL 30 1HG1 VAL 30 -4.625 1.959 -1.486 207 2HG1 VAL 30 2HG1 VAL 30 -4.202 0.923 -0.124 208 3HG1 VAL 30 3HG1 VAL 30 -4.711 2.588 0.160 209 1HG2 VAL 30 1HG2 VAL 30 -8.024 1.896 0.736 210 2HG2 VAL 30 2HG2 VAL 30 -7.528 2.996 -0.549 211 3HG2 VAL 30 3HG2 VAL 30 -6.603 2.918 0.950 212 H ARG 31 H ARG 31 -5.745 0.550 -4.023 213 HA ARG 31 HA ARG 31 -4.953 -2.226 -3.522 214 1HB ARG 31 2HB ARG 31 -4.575 -1.084 -6.224 215 2HB ARG 31 1HB ARG 31 -5.193 -2.655 -5.737 216 1HG ARG 31 2HG ARG 31 -7.325 -1.543 -5.085 217 2HG ARG 31 1HG ARG 31 -6.693 -0.047 -5.775 218 1HD ARG 31 2HD ARG 31 -7.765 -0.798 -7.620 219 2HD ARG 31 1HD ARG 31 -6.262 -1.693 -7.841 220 HE ARG 31 HE ARG 31 -7.766 -3.379 -6.359 221 1HH1 ARG 31 1HH1 ARG 31 -8.361 -1.648 -9.330 222 2HH1 ARG 31 2HH1 ARG 31 -9.444 -2.845 -9.956 223 1HH2 ARG 31 1HH2 ARG 31 -9.190 -4.955 -7.182 224 2HH2 ARG 31 2HH2 ARG 31 -9.915 -4.722 -8.736 225 H TRP 32 H TRP 32 -2.940 -2.790 -3.187 226 HA TRP 32 HA TRP 32 -0.786 -0.864 -3.733 227 1HB TRP 32 2HB TRP 32 -1.101 -3.084 -1.726 228 2HB TRP 32 1HB TRP 32 0.497 -2.506 -2.174 229 HD1 TRP 32 HD TRP 32 -2.586 -1.530 -0.165 230 HE1 TRP 32 1HE TRP 32 -2.038 0.559 1.239 231 HE3 TRP 32 3HE TRP 32 1.967 -0.382 -2.172 232 HZ2 TRP 32 2HZ TRP 32 0.054 2.457 1.456 233 HZ3 TRP 32 3HZ TRP 32 3.176 1.586 -1.319 234 HH2 TRP 32 HH TRP 32 2.239 2.972 0.459 235 H GLU 33 H GLU 33 -0.679 -1.442 -5.965 236 HA GLU 33 HA GLU 33 0.173 -4.196 -6.509 237 1HB GLU 33 2HB GLU 33 -0.737 -2.051 -8.431 238 2HB GLU 33 1HB GLU 33 -0.345 -3.713 -8.853 239 1HG GLU 33 2HG GLU 33 -2.325 -4.489 -8.163 240 2HG GLU 33 1HG GLU 33 -2.355 -3.444 -6.743 241 H ARG 34 H ARG 34 1.893 -4.608 -7.959 242 HA ARG 34 HA ARG 34 3.797 -2.471 -8.475 243 1HB ARG 34 2HB ARG 34 4.403 -3.370 -6.239 244 2HB ARG 34 1HB ARG 34 4.567 -4.970 -6.950 245 1HG ARG 34 2HG ARG 34 6.139 -2.902 -8.294 246 2HG ARG 34 1HG ARG 34 6.592 -3.183 -6.611 247 1HD ARG 34 2HD ARG 34 7.835 -4.857 -7.430 248 2HD ARG 34 1HD ARG 34 6.307 -5.729 -7.547 249 HE ARG 34 HE ARG 34 6.682 -4.213 -9.881 250 1HH1 ARG 34 1HH1 ARG 34 7.999 -7.011 -8.265 251 2HH1 ARG 34 2HH1 ARG 34 8.513 -7.773 -9.732 252 1HH2 ARG 34 1HH2 ARG 34 7.358 -5.213 -11.813 253 2HH2 ARG 34 2HH2 ARG 34 8.149 -6.753 -11.747 254 H GLY 35 H GLY 35 4.301 -2.677 -10.565 255 1HA GLY 35 2HA GLY 35 4.725 -3.631 -12.618 256 2HA GLY 35 1HA GLY 35 5.374 -4.992 -11.718 257 H SER 36 H SER 36 4.445 -6.845 -12.147 258 HA SER 36 HA SER 36 1.620 -6.853 -12.989 259 1HB SER 36 2HB SER 36 3.134 -7.555 -14.789 260 2HB SER 36 1HB SER 36 3.816 -8.798 -13.741 261 HG SER 36 HG SER 36 1.708 -9.734 -13.658 262 H THR 37 H THR 37 2.235 -6.864 -10.280 263 HA THR 37 HA THR 37 1.142 -9.450 -9.511 264 HB THR 37 HB THR 37 3.731 -8.368 -8.385 265 HG1 THR 37 1HG THR 37 4.444 -9.581 -9.942 266 1HG2 THR 37 1HG2 THR 37 2.128 -10.751 -7.493 267 2HG2 THR 37 2HG2 THR 37 2.508 -9.308 -6.550 268 3HG2 THR 37 3HG2 THR 37 3.794 -10.418 -7.022 269 H LEU 38 H LEU 38 0.348 -9.473 -7.280 270 HA LEU 38 HA LEU 38 -0.460 -6.771 -6.411 271 1HB LEU 38 2HB LEU 38 -1.825 -9.386 -6.434 272 2HB LEU 38 1HB LEU 38 -2.009 -8.480 -4.952 273 HG LEU 38 HG LEU 38 -2.815 -7.546 -7.708 274 1HD1 LEU 38 1HD1 LEU 38 -4.674 -8.670 -7.242 275 2HD1 LEU 38 2HD1 LEU 38 -4.965 -7.503 -5.953 276 3HD1 LEU 38 3HD1 LEU 38 -4.133 -9.018 -5.599 277 1HD2 LEU 38 1HD2 LEU 38 -2.821 -6.164 -5.033 278 2HD2 LEU 38 2HD2 LEU 38 -3.833 -5.651 -6.384 279 3HD2 LEU 38 3HD2 LEU 38 -2.076 -5.622 -6.537 280 H VAL 39 H VAL 39 -0.235 -6.168 -4.259 281 HA VAL 39 HA VAL 39 1.471 -7.945 -2.650 282 HB VAL 39 HB VAL 39 1.462 -4.928 -2.828 283 1HG1 VAL 39 1HG1 VAL 39 2.922 -6.697 -0.870 284 2HG1 VAL 39 2HG1 VAL 39 1.642 -5.542 -0.499 285 3HG1 VAL 39 3HG1 VAL 39 3.203 -4.970 -1.087 286 1HG2 VAL 39 1HG2 VAL 39 2.744 -6.451 -4.490 287 2HG2 VAL 39 2HG2 VAL 39 3.831 -6.747 -3.133 288 3HG2 VAL 39 3HG2 VAL 39 3.608 -5.106 -3.740 289 H ALA 40 H ALA 40 -1.059 -5.485 -2.582 290 HA ALA 40 HA ALA 40 -2.476 -6.845 -0.515 291 1HB ALA 40 1HB ALA 40 -2.351 -5.107 1.203 292 2HB ALA 40 2HB ALA 40 -1.168 -4.234 0.230 293 3HB ALA 40 3HB ALA 40 -0.772 -5.824 0.883 294 H GLU 41 H GLU 41 -4.464 -6.649 -1.275 295 HA GLU 41 HA GLU 41 -5.354 -4.016 -2.245 296 1HB GLU 41 2HB GLU 41 -5.421 -6.535 -3.538 297 2HB GLU 41 1HB GLU 41 -7.084 -6.114 -3.147 298 1HG GLU 41 2HG GLU 41 -6.916 -4.053 -4.337 299 2HG GLU 41 1HG GLU 41 -5.183 -4.278 -4.573 300 H PHE 42 H PHE 42 -6.571 -3.055 -0.788 301 HA PHE 42 HA PHE 42 -8.394 -4.684 0.846 302 1HB PHE 42 2HB PHE 42 -6.786 -3.486 2.194 303 2HB PHE 42 1HB PHE 42 -7.158 -1.975 1.372 304 HD1 PHE 42 1HD PHE 42 -8.077 -4.239 4.022 305 HD2 PHE 42 2HD PHE 42 -9.376 -0.908 1.712 306 HE1 PHE 42 1HE PHE 42 -9.791 -3.737 5.716 307 HE2 PHE 42 2HE PHE 42 -11.091 -0.399 3.403 308 HZ PHE 42 HZ PHE 42 -11.299 -1.814 5.408 309 H LYS 43 H LYS 43 -10.431 -4.628 0.191 310 HA LYS 43 HA LYS 43 -11.482 -2.118 -0.943 311 1HB LYS 43 2HB LYS 43 -12.998 -3.450 -2.317 312 2HB LYS 43 1HB LYS 43 -11.326 -3.888 -2.641 313 1HG LYS 43 2HG LYS 43 -11.656 -5.806 -1.025 314 2HG LYS 43 1HG LYS 43 -13.379 -5.430 -1.086 315 1HD LYS 43 2HD LYS 43 -13.602 -6.170 -3.231 316 2HD LYS 43 1HD LYS 43 -11.954 -5.722 -3.671 317 1HE LYS 43 2HE LYS 43 -11.861 -8.035 -3.677 318 2HE LYS 43 1HE LYS 43 -11.267 -7.634 -2.067 319 1HZ LYS 43 1HZ LYS 43 -13.844 -7.860 -1.548 320 2HZ LYS 43 2HZ LYS 43 -12.791 -9.181 -1.496 321 3HZ LYS 43 3HZ LYS 43 -13.756 -8.924 -2.861 322 H ARG 44 H ARG 44 -13.479 -1.405 -0.232 323 HA ARG 44 HA ARG 44 -14.240 -1.934 2.343 324 1HB ARG 44 2HB ARG 44 -14.958 0.050 1.084 325 2HB ARG 44 1HB ARG 44 -16.032 -0.962 0.129 326 1HG ARG 44 2HG ARG 44 -17.342 0.144 1.775 327 2HG ARG 44 1HG ARG 44 -17.226 -1.555 2.238 328 1HD ARG 44 2HD ARG 44 -16.922 -0.171 4.189 329 2HD ARG 44 1HD ARG 44 -15.401 -0.972 3.795 330 HE ARG 44 HE ARG 44 -15.344 1.494 2.541 331 1HH1 ARG 44 1HH1 ARG 44 -15.537 0.286 5.809 332 2HH1 ARG 44 2HH1 ARG 44 -14.732 1.656 6.496 333 1HH2 ARG 44 1HH2 ARG 44 -14.285 3.298 3.443 334 2HH2 ARG 44 2HH2 ARG 44 -14.022 3.366 5.154 335 H LYS 45 H LYS 45 -14.987 -3.711 -0.434 336 HA LYS 45 HA LYS 45 -17.203 -5.150 0.718 337 1HB LYS 45 2HB LYS 45 -15.708 -5.278 -1.871 338 2HB LYS 45 1HB LYS 45 -16.715 -6.638 -1.393 339 1HG LYS 45 2HG LYS 45 -18.220 -5.443 -2.608 340 2HG LYS 45 1HG LYS 45 -18.505 -4.744 -1.014 341 1HD LYS 45 2HD LYS 45 -17.057 -2.871 -1.546 342 2HD LYS 45 1HD LYS 45 -16.672 -3.586 -3.112 343 1HE LYS 45 2HE LYS 45 -19.298 -2.467 -2.167 344 2HE LYS 45 1HE LYS 45 -18.311 -1.934 -3.526 345 1HZ LYS 45 1HZ LYS 45 -19.864 -4.452 -3.317 346 2HZ LYS 45 2HZ LYS 45 -18.758 -4.138 -4.557 347 3HZ LYS 45 3HZ LYS 45 -20.131 -3.166 -4.384 348 H MET 46 H MET 46 -14.866 -5.261 2.304 349 HA MET 46 HA MET 46 -13.336 -6.700 3.285 350 1HB MET 46 2HB MET 46 -15.893 -7.435 3.733 351 2HB MET 46 1HB MET 46 -15.277 -8.915 3.017 352 1HG MET 46 2HG MET 46 -14.083 -9.440 4.830 353 2HG MET 46 1HG MET 46 -13.532 -7.783 5.065 354 1HE MET 46 1HE MET 46 -16.564 -6.083 6.513 355 2HE MET 46 2HE MET 46 -15.051 -5.982 5.613 356 3HE MET 46 3HE MET 46 -15.023 -6.183 7.364 357 H LYS 47 H LYS 47 -13.035 -9.469 3.137 358 HA LYS 47 HA LYS 47 -11.766 -11.008 2.035 359 1HB LYS 47 2HB LYS 47 -13.867 -10.179 0.108 360 2HB LYS 47 1HB LYS 47 -12.539 -11.140 -0.525 361 1HG LYS 47 2HG LYS 47 -13.179 -13.008 0.576 362 2HG LYS 47 1HG LYS 47 -13.806 -12.111 1.960 363 1HD LYS 47 2HD LYS 47 -15.567 -11.319 0.111 364 2HD LYS 47 1HD LYS 47 -15.141 -12.892 -0.567 365 1HE LYS 47 2HE LYS 47 -16.137 -14.034 1.109 366 2HE LYS 47 1HE LYS 47 -15.684 -12.845 2.330 367 1HZ LYS 47 1HZ LYS 47 -17.439 -11.415 1.027 368 2HZ LYS 47 2HZ LYS 47 -17.913 -12.494 2.240 369 3HZ LYS 47 3HZ LYS 47 -18.050 -12.938 0.615 370 HA PRO 48 HA PRO 48 -9.034 -7.800 0.023 371 1HB PRO 48 2HB PRO 48 -7.091 -7.690 1.872 372 2HB PRO 48 1HB PRO 48 -8.575 -6.743 2.030 373 1HG PRO 48 2HG PRO 48 -7.813 -9.310 3.362 374 2HG PRO 48 1HG PRO 48 -8.633 -7.894 4.044 375 1HD PRO 48 2HD PRO 48 -9.922 -10.182 3.225 376 2HD PRO 48 1HD PRO 48 -10.685 -8.583 3.304 377 H PHE 49 H PHE 49 -6.537 -8.082 -0.335 378 HA PHE 49 HA PHE 49 -5.900 -10.947 -0.533 379 1HB PHE 49 2HB PHE 49 -6.568 -10.333 -2.748 380 2HB PHE 49 1HB PHE 49 -5.606 -8.857 -2.695 381 HD1 PHE 49 1HD PHE 49 -5.472 -12.521 -2.973 382 HD2 PHE 49 2HD PHE 49 -3.253 -8.890 -3.154 383 HE1 PHE 49 1HE PHE 49 -3.570 -13.732 -3.955 384 HE2 PHE 49 2HE PHE 49 -1.355 -10.093 -4.138 385 HZ PHE 49 HZ PHE 49 -1.506 -12.518 -4.536 386 H LEU 50 H LEU 50 -4.372 -11.041 1.045 387 HA LEU 50 HA LEU 50 -2.201 -9.093 1.030 388 1HB LEU 50 2HB LEU 50 -3.332 -11.009 2.990 389 2HB LEU 50 1HB LEU 50 -1.604 -10.743 3.075 390 HG LEU 50 HG LEU 50 -3.750 -8.638 3.346 391 1HD1 LEU 50 1HD1 LEU 50 -3.697 -9.787 5.366 392 2HD1 LEU 50 2HD1 LEU 50 -2.588 -8.441 5.633 393 3HD1 LEU 50 3HD1 LEU 50 -1.955 -10.051 5.284 394 1HD2 LEU 50 1HD2 LEU 50 -2.164 -7.262 2.569 395 2HD2 LEU 50 2HD2 LEU 50 -0.884 -8.456 2.779 396 3HD2 LEU 50 3HD2 LEU 50 -1.417 -7.484 4.152 397 H LYS 51 H LYS 51 -0.622 -9.577 -0.393 398 HA LYS 51 HA LYS 51 -0.094 -11.879 -1.712 399 1HB LYS 51 2HB LYS 51 1.061 -9.791 -2.189 400 2HB LYS 51 1HB LYS 51 1.959 -9.914 -0.684 401 1HG LYS 51 2HG LYS 51 3.080 -11.913 -1.495 402 2HG LYS 51 1HG LYS 51 2.150 -11.838 -2.993 403 1HD LYS 51 2HD LYS 51 3.249 -9.902 -3.714 404 2HD LYS 51 1HD LYS 51 3.850 -9.533 -2.097 405 1HE LYS 51 2HE LYS 51 5.032 -11.892 -2.427 406 2HE LYS 51 1HE LYS 51 4.878 -11.440 -4.126 407 1HZ LYS 51 1HZ LYS 51 5.983 -9.502 -2.211 408 2HZ LYS 51 2HZ LYS 51 6.271 -9.652 -3.870 409 3HZ LYS 51 3HZ LYS 51 6.969 -10.749 -2.788 410 H SER 52 H SER 52 0.984 -11.107 1.561 411 HA SER 52 HA SER 52 1.126 -13.771 2.379 412 1HB SER 52 2HB SER 52 3.275 -13.242 0.761 413 2HB SER 52 1HB SER 52 3.940 -12.917 2.363 414 HG SER 52 HG SER 52 2.669 -15.301 1.492 415 H GLY 53 H GLY 53 2.202 -14.020 4.518 416 1HA GLY 53 2HA GLY 53 1.334 -12.070 6.291 417 2HA GLY 53 1HA GLY 53 2.471 -13.323 6.743 418 H ALA 54 H ALA 54 4.114 -11.875 4.325 419 HA ALA 54 HA ALA 54 5.772 -10.430 6.141 420 1HB ALA 54 1HB ALA 54 6.194 -10.029 3.257 421 2HB ALA 54 2HB ALA 54 6.245 -11.701 3.816 422 3HB ALA 54 3HB ALA 54 7.331 -10.504 4.519 423 H PHE 55 H PHE 55 2.901 -9.530 4.906 424 HA PHE 55 HA PHE 55 3.660 -6.693 4.944 425 1HB PHE 55 2HB PHE 55 1.633 -7.914 3.067 426 2HB PHE 55 1HB PHE 55 2.053 -6.213 3.170 427 HD1 PHE 55 1HD PHE 55 4.548 -5.643 2.786 428 HD2 PHE 55 2HD PHE 55 2.694 -9.243 1.507 429 HE1 PHE 55 1HE PHE 55 6.316 -5.943 1.103 430 HE2 PHE 55 2HE PHE 55 4.461 -9.563 -0.177 431 HZ PHE 55 HZ PHE 55 6.277 -7.911 -0.380 432 H GLU 56 H GLU 56 1.948 -5.241 5.528 433 HA GLU 56 HA GLU 56 -0.490 -6.312 6.630 434 1HB GLU 56 2HB GLU 56 1.743 -5.312 8.371 435 2HB GLU 56 1HB GLU 56 0.072 -5.095 8.873 436 1HG GLU 56 2HG GLU 56 1.455 -7.704 8.299 437 2HG GLU 56 1HG GLU 56 0.975 -7.083 9.877 438 H ILE 57 H ILE 57 -2.038 -4.900 6.191 439 HA ILE 57 HA ILE 57 -1.362 -2.242 5.303 440 HB ILE 57 HB ILE 57 -3.101 -3.564 4.152 441 1HG1 ILE 57 2HG1 ILE 57 -4.548 -1.209 5.276 442 2HG1 ILE 57 1HG1 ILE 57 -3.016 -0.932 4.452 443 1HG2 ILE 57 1HG2 ILE 57 -5.271 -3.032 5.978 444 2HG2 ILE 57 2HG2 ILE 57 -4.055 -4.070 6.720 445 3HG2 ILE 57 3HG2 ILE 57 -4.802 -4.540 5.195 446 1HD1 ILE 57 1HD1 ILE 57 -5.274 -2.464 3.204 447 2HD1 ILE 57 2HD1 ILE 57 -3.843 -1.791 2.420 448 3HD1 ILE 57 3HD1 ILE 57 -5.092 -0.716 3.050 449 H LEU 58 H LEU 58 -0.793 -0.881 6.896 450 HA LEU 58 HA LEU 58 -1.768 -0.873 9.514 451 1HB LEU 58 2HB LEU 58 -0.046 0.764 7.882 452 2HB LEU 58 1HB LEU 58 -1.063 1.778 8.887 453 HG LEU 58 HG LEU 58 -0.214 0.805 10.891 454 1HD1 LEU 58 1HD1 LEU 58 1.617 -0.983 10.663 455 2HD1 LEU 58 2HD1 LEU 58 0.945 -1.262 9.057 456 3HD1 LEU 58 3HD1 LEU 58 -0.065 -1.483 10.485 457 1HD2 LEU 58 1HD2 LEU 58 1.693 1.722 8.835 458 2HD2 LEU 58 2HD2 LEU 58 2.389 0.954 10.262 459 3HD2 LEU 58 3HD2 LEU 58 1.351 2.370 10.440 460 H ALA 59 H ALA 59 -2.865 1.182 10.457 461 HA ALA 59 HA ALA 59 -5.513 1.254 9.417 462 1HB ALA 59 1HB ALA 59 -5.491 1.470 11.706 463 2HB ALA 59 2HB ALA 59 -5.688 3.151 11.210 464 3HB ALA 59 3HB ALA 59 -4.102 2.556 11.700 465 H ASN 60 H ASN 60 -2.870 3.622 9.537 466 HA ASN 60 HA ASN 60 -4.228 5.785 8.419 467 1HB ASN 60 2HB ASN 60 -1.943 6.581 7.728 468 2HB ASN 60 1HB ASN 60 -2.091 6.151 9.430 469 1HD2 ASN 60 1HD2 ASN 60 -1.108 4.257 10.180 470 2HD2 ASN 60 2HD2 ASN 60 0.156 3.481 9.293 471 H GLY 61 H GLY 61 -3.106 2.874 6.953 472 1HA GLY 61 2HA GLY 61 -3.957 2.200 4.823 473 2HA GLY 61 1HA GLY 61 -4.025 3.892 4.354 474 H ASP 62 H ASP 62 -1.279 2.329 5.906 475 HA ASP 62 HA ASP 62 0.251 2.744 3.422 476 1HB ASP 62 2HB ASP 62 0.975 3.170 6.301 477 2HB ASP 62 1HB ASP 62 2.236 2.824 5.124 478 H LEU 63 H LEU 63 1.968 1.261 2.967 479 HA LEU 63 HA LEU 63 1.244 -1.493 3.629 480 1HB LEU 63 2HB LEU 63 1.998 -0.654 1.352 481 2HB LEU 63 1HB LEU 63 3.612 -0.523 2.024 482 HG LEU 63 HG LEU 63 3.321 -3.032 2.616 483 1HD1 LEU 63 1HD1 LEU 63 1.431 -2.917 0.289 484 2HD1 LEU 63 2HD1 LEU 63 0.859 -2.925 1.958 485 3HD1 LEU 63 3HD1 LEU 63 1.802 -4.285 1.344 486 1HD2 LEU 63 1HD2 LEU 63 4.985 -2.549 1.095 487 2HD2 LEU 63 2HD2 LEU 63 3.869 -1.800 -0.046 488 3HD2 LEU 63 3HD2 LEU 63 3.901 -3.553 0.131 489 H LYS 64 H LYS 64 2.070 -2.603 5.295 490 HA LYS 64 HA LYS 64 4.543 -1.619 6.537 491 1HB LYS 64 2HB LYS 64 2.162 -2.094 7.718 492 2HB LYS 64 1HB LYS 64 2.917 -3.669 7.920 493 1HG LYS 64 2HG LYS 64 4.933 -2.111 8.742 494 2HG LYS 64 1HG LYS 64 3.567 -1.077 9.168 495 1HD LYS 64 2HD LYS 64 2.560 -3.055 10.340 496 2HD LYS 64 1HD LYS 64 4.080 -3.909 10.065 497 1HE LYS 64 2HE LYS 64 3.603 -1.443 11.720 498 2HE LYS 64 1HE LYS 64 4.194 -3.015 12.256 499 1HZ LYS 64 1HZ LYS 64 6.040 -1.557 12.139 500 2HZ LYS 64 2HZ LYS 64 5.628 -1.026 10.587 501 3HZ LYS 64 3HZ LYS 64 6.177 -2.608 10.821 502 H ILE 65 H ILE 65 6.297 -2.654 5.842 503 HA ILE 65 HA ILE 65 6.132 -5.452 5.026 504 HB ILE 65 HB ILE 65 8.656 -3.827 5.004 505 1HG1 ILE 65 2HG1 ILE 65 6.375 -3.695 3.019 506 2HG1 ILE 65 1HG1 ILE 65 7.089 -2.366 3.921 507 1HG2 ILE 65 1HG2 ILE 65 9.387 -5.760 4.175 508 2HG2 ILE 65 2HG2 ILE 65 8.476 -5.375 2.716 509 3HG2 ILE 65 3HG2 ILE 65 7.750 -6.380 3.968 510 1HD1 ILE 65 1HD1 ILE 65 7.759 -3.298 1.343 511 2HD1 ILE 65 2HD1 ILE 65 9.140 -3.603 2.398 512 3HD1 ILE 65 3HD1 ILE 65 8.480 -1.974 2.258 513 H LYS 66 H LYS 66 6.965 -7.128 6.180 514 HA LYS 66 HA LYS 66 7.785 -6.603 8.893 515 1HB LYS 66 2HB LYS 66 6.244 -8.440 8.414 516 2HB LYS 66 1HB LYS 66 7.468 -9.214 7.417 517 1HG LYS 66 2HG LYS 66 8.826 -8.962 9.730 518 2HG LYS 66 1HG LYS 66 7.178 -9.129 10.342 519 1HD LYS 66 2HD LYS 66 7.016 -11.285 9.684 520 2HD LYS 66 1HD LYS 66 7.939 -11.010 8.205 521 1HE LYS 66 2HE LYS 66 9.967 -11.334 9.252 522 2HE LYS 66 1HE LYS 66 9.333 -10.908 10.841 523 1HZ LYS 66 1HZ LYS 66 8.431 -13.349 9.446 524 2HZ LYS 66 2HZ LYS 66 8.368 -12.989 11.098 525 3HZ LYS 66 3HZ LYS 66 9.852 -13.347 10.367 526 H ASN 67 H ASN 67 9.232 -8.085 6.059 527 HA ASN 67 HA ASN 67 11.877 -7.418 7.060 528 1HB ASN 67 2HB ASN 67 10.813 -10.089 7.124 529 2HB ASN 67 1HB ASN 67 12.147 -10.022 5.977 530 1HD2 ASN 67 1HD2 ASN 67 11.662 -8.189 8.954 531 2HD2 ASN 67 2HD2 ASN 67 13.073 -8.779 9.757 532 H LEU 68 H LEU 68 12.691 -6.247 5.460 533 HA LEU 68 HA LEU 68 11.795 -6.097 2.875 534 1HB LEU 68 2HB LEU 68 14.421 -5.467 4.156 535 2HB LEU 68 1HB LEU 68 14.201 -5.249 2.430 536 HG LEU 68 HG LEU 68 12.148 -4.052 4.187 537 1HD1 LEU 68 1HD1 LEU 68 13.528 -2.072 4.605 538 2HD1 LEU 68 2HD1 LEU 68 14.924 -2.908 3.925 539 3HD1 LEU 68 3HD1 LEU 68 14.173 -3.502 5.406 540 1HD2 LEU 68 1HD2 LEU 68 13.102 -2.242 2.296 541 2HD2 LEU 68 2HD2 LEU 68 11.632 -3.211 2.208 542 3HD2 LEU 68 3HD2 LEU 68 13.127 -3.814 1.496 543 H THR 69 H THR 69 12.424 -6.901 0.914 544 HA THR 69 HA THR 69 14.336 -9.107 0.835 545 HB THR 69 HB THR 69 12.554 -10.344 -0.620 546 HG1 THR 69 1HG THR 69 10.905 -8.738 1.033 547 1HG2 THR 69 1HG2 THR 69 11.645 -11.512 1.298 548 2HG2 THR 69 2HG2 THR 69 12.220 -10.232 2.366 549 3HG2 THR 69 3HG2 THR 69 13.376 -11.237 1.491 550 H ARG 70 H ARG 70 15.040 -9.652 -1.306 551 HA ARG 70 HA ARG 70 15.659 -7.504 -2.925 552 1HB ARG 70 2HB ARG 70 15.831 -9.412 -4.766 553 2HB ARG 70 1HB ARG 70 16.982 -9.291 -3.445 554 1HG ARG 70 2HG ARG 70 16.354 -11.241 -2.561 555 2HG ARG 70 1HG ARG 70 14.639 -10.910 -2.806 556 1HD ARG 70 2HD ARG 70 15.587 -12.870 -4.090 557 2HD ARG 70 1HD ARG 70 14.713 -11.671 -5.041 558 HE ARG 70 HE ARG 70 16.641 -11.245 -6.180 559 1HH1 ARG 70 1HH1 ARG 70 17.464 -12.816 -3.174 560 2HH1 ARG 70 2HH1 ARG 70 19.145 -12.956 -3.563 561 1HH2 ARG 70 1HH2 ARG 70 18.853 -11.428 -6.694 562 2HH2 ARG 70 2HH2 ARG 70 19.934 -12.168 -5.561 563 H ASP 71 H ASP 71 13.134 -9.934 -3.620 564 HA ASP 71 HA ASP 71 12.108 -8.793 -5.917 565 1HB ASP 71 2HB ASP 71 11.448 -11.014 -5.101 566 2HB ASP 71 1HB ASP 71 10.582 -10.271 -3.760 567 H ASP 72 H ASP 72 11.803 -7.717 -2.641 568 HA ASP 72 HA ASP 72 9.481 -6.090 -3.080 569 1HB ASP 72 2HB ASP 72 10.962 -6.966 -0.841 570 2HB ASP 72 1HB ASP 72 11.040 -5.207 -0.825 571 H SER 73 H SER 73 12.801 -5.751 -3.786 572 HA SER 73 HA SER 73 12.922 -2.889 -3.596 573 1HB SER 73 2HB SER 73 15.125 -3.072 -4.408 574 2HB SER 73 1HB SER 73 14.889 -4.563 -3.496 575 HG SER 73 HG SER 73 15.779 -4.563 -5.812 576 H GLY 74 H GLY 74 11.944 -1.538 -4.969 577 1HA GLY 74 2HA GLY 74 12.268 -1.374 -7.658 578 2HA GLY 74 1HA GLY 74 10.921 -2.488 -7.472 579 H THR 75 H THR 75 9.478 -1.020 -8.473 580 HA THR 75 HA THR 75 8.896 1.441 -6.927 581 HB THR 75 HB THR 75 8.654 0.713 -9.829 582 HG1 THR 75 1HG THR 75 9.597 2.949 -8.378 583 1HG2 THR 75 1HG2 THR 75 7.279 2.633 -10.302 584 2HG2 THR 75 2HG2 THR 75 7.117 2.977 -8.581 585 3HG2 THR 75 3HG2 THR 75 6.411 1.509 -9.258 586 H TYR 76 H TYR 76 6.988 1.627 -5.919 587 HA TYR 76 HA TYR 76 5.020 -0.525 -6.296 588 1HB TYR 76 2HB TYR 76 5.599 1.293 -3.957 589 2HB TYR 76 1HB TYR 76 4.140 0.312 -4.051 590 HD1 TYR 76 1HD TYR 76 7.853 -0.064 -4.346 591 HD2 TYR 76 2HD TYR 76 4.176 -1.780 -3.061 592 HE1 TYR 76 1HE TYR 76 9.081 -1.957 -3.379 593 HE2 TYR 76 2HE TYR 76 5.401 -3.684 -2.090 594 HH TYR 76 HH TYR 76 8.875 -4.052 -2.521 595 H ASN 77 H ASN 77 2.775 0.004 -6.412 596 HA ASN 77 HA ASN 77 2.190 2.817 -7.032 597 1HB ASN 77 2HB ASN 77 1.893 0.441 -8.777 598 2HB ASN 77 1HB ASN 77 0.553 1.582 -8.783 599 1HD2 ASN 77 1HD2 ASN 77 3.074 0.776 -10.504 600 2HD2 ASN 77 2HD2 ASN 77 3.597 2.312 -11.098 601 H VAL 78 H VAL 78 0.493 3.568 -5.934 602 HA VAL 78 HA VAL 78 -1.386 1.609 -4.797 603 HB VAL 78 HB VAL 78 -1.524 4.388 -3.803 604 1HG1 VAL 78 1HG1 VAL 78 -2.491 1.896 -3.079 605 2HG1 VAL 78 2HG1 VAL 78 -2.601 3.383 -2.144 606 3HG1 VAL 78 3HG1 VAL 78 -1.270 2.262 -1.862 607 1HG2 VAL 78 1HG2 VAL 78 0.951 2.755 -3.515 608 2HG2 VAL 78 2HG2 VAL 78 0.370 3.655 -2.111 609 3HG2 VAL 78 3HG2 VAL 78 0.748 4.506 -3.610 610 H THR 79 H THR 79 -3.495 1.679 -5.266 611 HA THR 79 HA THR 79 -4.474 3.925 -6.900 612 HB THR 79 HB THR 79 -5.997 1.458 -7.212 613 HG1 THR 79 1HG THR 79 -4.482 0.199 -8.076 614 1HG2 THR 79 1HG2 THR 79 -4.554 2.554 -9.509 615 2HG2 THR 79 2HG2 THR 79 -5.621 3.691 -8.684 616 3HG2 THR 79 3HG2 THR 79 -6.264 2.172 -9.310 617 H VAL 80 H VAL 80 -5.378 5.085 -5.276 618 HA VAL 80 HA VAL 80 -7.096 3.823 -3.313 619 HB VAL 80 HB VAL 80 -6.313 6.709 -3.759 620 1HG1 VAL 80 1HG1 VAL 80 -7.929 5.593 -1.472 621 2HG1 VAL 80 2HG1 VAL 80 -8.589 6.542 -2.804 622 3HG1 VAL 80 3HG1 VAL 80 -7.424 7.270 -1.697 623 1HG2 VAL 80 1HG2 VAL 80 -5.649 5.333 -1.245 624 2HG2 VAL 80 2HG2 VAL 80 -4.679 6.420 -2.236 625 3HG2 VAL 80 3HG2 VAL 80 -4.823 4.720 -2.677 626 H TYR 81 H TYR 81 -9.250 3.712 -3.368 627 HA TYR 81 HA TYR 81 -10.657 5.185 -5.502 628 1HB TYR 81 2HB TYR 81 -11.224 2.470 -4.360 629 2HB TYR 81 1HB TYR 81 -12.403 3.357 -5.285 630 HD1 TYR 81 1HD TYR 81 -12.645 1.780 -7.022 631 HD2 TYR 81 2HD TYR 81 -8.790 3.323 -6.112 632 HE1 TYR 81 1HE TYR 81 -11.775 0.842 -9.123 633 HE2 TYR 81 2HE TYR 81 -7.912 2.400 -8.206 634 HH TYR 81 HH TYR 81 -8.520 0.514 -9.781 635 H SER 82 H SER 82 -12.725 5.884 -5.080 636 HA SER 82 HA SER 82 -13.187 6.678 -2.315 637 1HB SER 82 2HB SER 82 -15.180 7.803 -3.941 638 2HB SER 82 1HB SER 82 -13.749 8.601 -3.295 639 HG SER 82 HG SER 82 -14.016 8.672 -5.640 640 H THR 83 H THR 83 -15.706 6.936 -1.898 641 HA THR 83 HA THR 83 -16.726 4.321 -1.596 642 HB THR 83 HB THR 83 -18.914 5.775 -1.128 643 HG1 THR 83 1HG THR 83 -18.106 7.717 -1.881 644 1HG2 THR 83 1HG2 THR 83 -16.760 4.872 0.466 645 2HG2 THR 83 2HG2 THR 83 -18.423 5.210 0.946 646 3HG2 THR 83 3HG2 THR 83 -17.208 6.487 1.015 647 H ASN 84 H ASN 84 -17.003 6.646 -4.137 648 HA ASN 84 HA ASN 84 -19.353 5.427 -5.302 649 1HB ASN 84 2HB ASN 84 -17.591 7.741 -6.001 650 2HB ASN 84 1HB ASN 84 -18.628 7.048 -7.244 651 1HD2 ASN 84 1HD2 ASN 84 -18.739 8.209 -3.900 652 2HD2 ASN 84 2HD2 ASN 84 -20.305 8.929 -4.020 653 H GLY 85 H GLY 85 -16.141 4.596 -5.213 654 1HA GLY 85 2HA GLY 85 -15.183 2.754 -6.289 655 2HA GLY 85 1HA GLY 85 -16.486 2.793 -7.466 656 H THR 86 H THR 86 -14.896 5.775 -6.830 657 HA THR 86 HA THR 86 -13.550 5.577 -9.438 658 HB THR 86 HB THR 86 -13.857 8.227 -8.155 659 HG1 THR 86 1HG THR 86 -15.910 8.031 -7.866 660 1HG2 THR 86 1HG2 THR 86 -14.718 8.766 -10.470 661 2HG2 THR 86 2HG2 THR 86 -14.228 7.133 -10.919 662 3HG2 THR 86 3HG2 THR 86 -13.027 8.287 -10.342 663 H ARG 87 H ARG 87 -11.398 6.088 -9.657 664 HA ARG 87 HA ARG 87 -9.724 5.677 -7.432 665 1HB ARG 87 2HB ARG 87 -8.813 7.027 -9.960 666 2HB ARG 87 1HB ARG 87 -7.907 5.953 -8.903 667 1HG ARG 87 2HG ARG 87 -8.346 4.407 -10.452 668 2HG ARG 87 1HG ARG 87 -9.937 4.331 -9.689 669 1HD ARG 87 2HD ARG 87 -10.683 4.734 -11.774 670 2HD ARG 87 1HD ARG 87 -10.294 6.408 -11.382 671 HE ARG 87 HE ARG 87 -8.004 5.192 -12.431 672 1HH1 ARG 87 1HH1 ARG 87 -11.189 6.175 -13.464 673 2HH1 ARG 87 2HH1 ARG 87 -10.709 6.447 -15.105 674 1HH2 ARG 87 1HH2 ARG 87 -7.371 5.550 -14.589 675 2HH2 ARG 87 2HH2 ARG 87 -8.542 6.092 -15.745 676 H ILE 88 H ILE 88 -9.511 7.031 -5.795 677 HA ILE 88 HA ILE 88 -9.924 9.866 -6.071 678 HB ILE 88 HB ILE 88 -9.174 8.123 -3.729 679 1HG1 ILE 88 2HG1 ILE 88 -11.488 7.957 -4.484 680 2HG1 ILE 88 1HG1 ILE 88 -11.411 8.764 -2.921 681 1HG2 ILE 88 1HG2 ILE 88 -8.282 9.927 -2.759 682 2HG2 ILE 88 2HG2 ILE 88 -9.931 10.544 -2.659 683 3HG2 ILE 88 3HG2 ILE 88 -8.900 11.007 -4.012 684 1HD1 ILE 88 1HD1 ILE 88 -12.331 9.756 -5.511 685 2HD1 ILE 88 2HD1 ILE 88 -11.309 10.878 -4.614 686 3HD1 ILE 88 3HD1 ILE 88 -12.780 10.245 -3.878 687 H LEU 89 H LEU 89 -7.167 7.709 -5.494 688 HA LEU 89 HA LEU 89 -5.381 9.795 -6.422 689 1HB LEU 89 2HB LEU 89 -5.402 10.372 -4.124 690 2HB LEU 89 1HB LEU 89 -5.292 8.695 -3.626 691 HG LEU 89 HG LEU 89 -3.029 9.764 -5.223 692 1HD1 LEU 89 1HD1 LEU 89 -2.213 11.215 -3.715 693 2HD1 LEU 89 2HD1 LEU 89 -2.830 10.299 -2.340 694 3HD1 LEU 89 3HD1 LEU 89 -3.903 11.374 -3.239 695 1HD2 LEU 89 1HD2 LEU 89 -2.155 8.439 -2.935 696 2HD2 LEU 89 2HD2 LEU 89 -2.273 7.778 -4.565 697 3HD2 LEU 89 3HD2 LEU 89 -3.607 7.571 -3.433 698 H ASN 90 H ASN 90 -3.860 8.970 -7.654 699 HA ASN 90 HA ASN 90 -3.135 6.130 -7.340 700 1HB ASN 90 2HB ASN 90 -4.368 6.583 -9.448 701 2HB ASN 90 1HB ASN 90 -3.148 7.773 -9.889 702 1HD2 ASN 90 1HD2 ASN 90 -3.024 4.485 -8.557 703 2HD2 ASN 90 2HD2 ASN 90 -1.959 3.855 -9.763 704 H LYS 91 H LYS 91 -1.214 6.105 -6.330 705 HA LYS 91 HA LYS 91 0.807 8.069 -7.212 706 1HB LYS 91 2HB LYS 91 0.432 6.843 -4.482 707 2HB LYS 91 1HB LYS 91 1.795 7.852 -4.937 708 1HG LYS 91 2HG LYS 91 -0.908 8.958 -5.396 709 2HG LYS 91 1HG LYS 91 -0.366 8.802 -3.723 710 1HD LYS 91 2HD LYS 91 1.427 10.257 -4.039 711 2HD LYS 91 1HD LYS 91 1.393 10.067 -5.794 712 1HE LYS 91 2HE LYS 91 -1.037 11.101 -5.453 713 2HE LYS 91 1HE LYS 91 -0.255 11.791 -4.031 714 1HZ LYS 91 1HZ LYS 91 0.284 13.381 -5.519 715 2HZ LYS 91 2HZ LYS 91 0.202 12.345 -6.854 716 3HZ LYS 91 3HZ LYS 91 1.571 12.336 -5.859 717 H ALA 92 H ALA 92 3.027 7.457 -7.039 718 HA ALA 92 HA ALA 92 3.590 4.585 -7.095 719 1HB ALA 92 1HB ALA 92 4.802 6.387 -9.157 720 2HB ALA 92 2HB ALA 92 3.235 5.629 -9.432 721 3HB ALA 92 3HB ALA 92 4.663 4.630 -9.160 722 H LEU 93 H LEU 93 5.242 4.179 -5.754 723 HA LEU 93 HA LEU 93 7.190 6.339 -5.263 724 1HB LEU 93 2HB LEU 93 6.595 4.198 -3.254 725 2HB LEU 93 1HB LEU 93 7.311 5.779 -3.001 726 HG LEU 93 HG LEU 93 5.002 6.712 -3.674 727 1HD1 LEU 93 1HD1 LEU 93 4.472 3.805 -3.471 728 2HD1 LEU 93 2HD1 LEU 93 3.711 5.030 -4.486 729 3HD1 LEU 93 3HD1 LEU 93 3.274 4.901 -2.782 730 1HD2 LEU 93 1HD2 LEU 93 4.150 6.027 -1.280 731 2HD2 LEU 93 2HD2 LEU 93 5.530 7.106 -1.483 732 3HD2 LEU 93 3HD2 LEU 93 5.791 5.399 -1.124 733 H ASP 94 H ASP 94 9.331 5.614 -4.540 734 HA ASP 94 HA ASP 94 10.103 3.114 -5.888 735 1HB ASP 94 2HB ASP 94 11.659 5.664 -5.424 736 2HB ASP 94 1HB ASP 94 12.385 4.179 -6.029 737 H LEU 95 H LEU 95 10.781 1.507 -4.602 738 HA LEU 95 HA LEU 95 11.773 2.212 -1.919 739 1HB LEU 95 2HB LEU 95 9.577 0.671 -2.572 740 2HB LEU 95 1HB LEU 95 10.817 -0.533 -2.284 741 HG LEU 95 HG LEU 95 9.970 1.604 -0.330 742 1HD1 LEU 95 1HD1 LEU 95 8.461 -0.468 -0.919 743 2HD1 LEU 95 2HD1 LEU 95 8.674 0.071 0.745 744 3HD1 LEU 95 3HD1 LEU 95 9.598 -1.303 0.137 745 1HD2 LEU 95 1HD2 LEU 95 11.506 0.768 1.177 746 2HD2 LEU 95 2HD2 LEU 95 12.401 0.704 -0.340 747 3HD2 LEU 95 3HD2 LEU 95 11.673 -0.761 0.318 748 H ARG 96 H ARG 96 13.965 2.127 -2.143 749 HA ARG 96 HA ARG 96 15.169 -0.100 -3.596 750 1HB ARG 96 2HB ARG 96 17.043 1.780 -2.353 751 2HB ARG 96 1HB ARG 96 16.919 1.222 -4.007 752 1HG ARG 96 2HG ARG 96 15.224 3.393 -2.812 753 2HG ARG 96 1HG ARG 96 16.643 3.641 -3.828 754 1HD ARG 96 2HD ARG 96 13.992 2.443 -4.573 755 2HD ARG 96 1HD ARG 96 14.799 3.842 -5.276 756 HE ARG 96 HE ARG 96 16.523 1.855 -5.822 757 1HH1 ARG 96 1HH1 ARG 96 13.077 2.156 -6.294 758 2HH1 ARG 96 2HH1 ARG 96 13.053 1.130 -7.688 759 1HH2 ARG 96 1HH2 ARG 96 16.492 0.508 -7.655 760 2HH2 ARG 96 2HH2 ARG 96 14.990 0.195 -8.461 761 H ILE 97 H ILE 97 15.945 -1.830 -2.633 762 HA ILE 97 HA ILE 97 16.275 -1.779 0.289 763 HB ILE 97 HB ILE 97 16.090 -4.320 -1.277 764 1HG1 ILE 97 2HG1 ILE 97 14.164 -3.182 -2.094 765 2HG1 ILE 97 1HG1 ILE 97 13.597 -4.254 -0.821 766 1HG2 ILE 97 1HG2 ILE 97 16.699 -4.278 1.134 767 2HG2 ILE 97 2HG2 ILE 97 15.250 -5.213 0.773 768 3HG2 ILE 97 3HG2 ILE 97 15.106 -3.603 1.476 769 1HD1 ILE 97 1HD1 ILE 97 13.490 -1.358 -1.017 770 2HD1 ILE 97 2HD1 ILE 97 14.101 -1.933 0.535 771 3HD1 ILE 97 3HD1 ILE 97 12.526 -2.471 -0.048 772 H LEU 98 H LEU 98 18.321 -1.604 0.907 773 HA LEU 98 HA LEU 98 20.529 -2.309 -0.717 774 1HB LEU 98 2HB LEU 98 20.031 -1.134 1.947 775 2HB LEU 98 1HB LEU 98 21.566 -1.933 1.733 776 HG LEU 98 HG LEU 98 20.509 0.355 0.091 777 1HD1 LEU 98 1HD1 LEU 98 21.877 1.758 1.260 778 2HD1 LEU 98 2HD1 LEU 98 23.014 0.479 1.686 779 3HD1 LEU 98 3HD1 LEU 98 21.472 0.608 2.534 780 1HD2 LEU 98 1HD2 LEU 98 23.012 0.264 -0.683 781 2HD2 LEU 98 2HD2 LEU 98 21.794 -0.751 -1.457 782 3HD2 LEU 98 3HD2 LEU 98 22.869 -1.436 -0.237 783 H GLU 99 H GLU 99 21.417 -4.242 -0.907 784 HA GLU 99 HA GLU 99 20.528 -6.455 0.696 785 1HB GLU 99 2HB GLU 99 22.641 -6.310 -1.462 786 2HB GLU 99 1HB GLU 99 22.036 -7.794 -0.736 787 1HG GLU 99 2HG GLU 99 20.682 -7.795 -2.523 788 2HG GLU 99 1HG GLU 99 19.719 -6.699 -1.534 Start of MODEL 18 1 1H ARG 1 1H ARG 1 8.165 16.255 -9.840 2 2H ARG 1 2H ARG 1 8.889 17.467 -10.816 3 3H ARG 1 3H ARG 1 9.845 16.571 -9.708 4 HA ARG 1 HA ARG 1 8.577 15.666 -12.194 5 1HB ARG 1 2HB ARG 1 10.995 16.794 -11.737 6 2HB ARG 1 1HB ARG 1 11.391 15.104 -11.461 7 1HG ARG 1 2HG ARG 1 11.819 15.794 -13.768 8 2HG ARG 1 1HG ARG 1 10.601 14.521 -13.672 9 1HD ARG 1 2HD ARG 1 8.952 15.860 -14.439 10 2HD ARG 1 1HD ARG 1 9.571 17.280 -13.597 11 HE ARG 1 HE ARG 1 10.145 16.475 -16.296 12 1HH1 ARG 1 1HH1 ARG 1 11.286 18.307 -13.554 13 2HH1 ARG 1 2HH1 ARG 1 12.277 19.357 -14.509 14 1HH2 ARG 1 1HH2 ARG 1 11.447 17.855 -17.554 15 2HH2 ARG 1 2HH2 ARG 1 12.368 19.102 -16.781 16 H ASP 2 H ASP 2 10.779 14.413 -9.681 17 HA ASP 2 HA ASP 2 9.968 11.715 -10.130 18 1HB ASP 2 2HB ASP 2 12.233 12.460 -9.287 19 2HB ASP 2 1HB ASP 2 11.468 12.780 -7.734 20 H SER 3 H SER 3 8.813 10.336 -8.743 21 HA SER 3 HA SER 3 6.631 11.616 -7.378 22 1HB SER 3 2HB SER 3 5.827 9.296 -7.002 23 2HB SER 3 1HB SER 3 6.202 9.614 -8.696 24 HG SER 3 HG SER 3 8.104 8.477 -8.471 25 H GLY 4 H GLY 4 8.560 8.867 -6.208 26 1HA GLY 4 2HA GLY 4 9.389 10.300 -3.843 27 2HA GLY 4 1HA GLY 4 8.137 9.106 -3.540 28 H THR 5 H THR 5 10.714 9.038 -2.410 29 HA THR 5 HA THR 5 11.611 6.443 -3.422 30 HB THR 5 HB THR 5 13.587 8.629 -2.771 31 HG1 THR 5 1HG THR 5 12.636 7.822 -5.317 32 1HG2 THR 5 1HG2 THR 5 14.983 6.898 -2.792 33 2HG2 THR 5 2HG2 THR 5 14.764 6.924 -4.542 34 3HG2 THR 5 3HG2 THR 5 13.798 5.833 -3.548 35 H VAL 6 H VAL 6 12.738 5.192 -1.930 36 HA VAL 6 HA VAL 6 12.809 6.144 0.827 37 HB VAL 6 HB VAL 6 10.632 4.825 0.091 38 1HG1 VAL 6 1HG1 VAL 6 12.260 2.998 -0.682 39 2HG1 VAL 6 2HG1 VAL 6 10.718 2.577 0.065 40 3HG1 VAL 6 3HG1 VAL 6 12.209 2.509 1.009 41 1HG2 VAL 6 1HG2 VAL 6 10.828 5.575 2.327 42 2HG2 VAL 6 2HG2 VAL 6 12.174 4.481 2.653 43 3HG2 VAL 6 3HG2 VAL 6 10.549 3.837 2.433 44 H TRP 7 H TRP 7 14.332 5.110 2.122 45 HA TRP 7 HA TRP 7 16.100 3.229 0.703 46 1HB TRP 7 2HB TRP 7 16.814 5.241 2.848 47 2HB TRP 7 1HB TRP 7 17.938 4.108 2.099 48 HD1 TRP 7 HD TRP 7 15.947 7.295 1.329 49 HE1 TRP 7 1HE TRP 7 16.944 8.397 -0.772 50 HE3 TRP 7 3HE TRP 7 19.254 3.635 -0.009 51 HZ2 TRP 7 2HZ TRP 7 18.883 7.793 -2.736 52 HZ3 TRP 7 3HZ TRP 7 20.644 3.975 -2.012 53 HH2 TRP 7 HH TRP 7 20.461 6.011 -3.345 54 H GLY 8 H GLY 8 16.428 1.278 1.571 55 1HA GLY 8 2HA GLY 8 15.951 0.892 4.442 56 2HA GLY 8 1HA GLY 8 14.933 -0.028 3.352 57 H ALA 9 H ALA 9 16.186 -1.638 4.910 58 HA ALA 9 HA ALA 9 18.485 -2.613 3.350 59 1HB ALA 9 1HB ALA 9 19.542 -3.384 5.422 60 2HB ALA 9 2HB ALA 9 18.256 -2.618 6.355 61 3HB ALA 9 3HB ALA 9 19.351 -1.630 5.387 62 H LEU 10 H LEU 10 18.457 -4.711 2.833 63 HA LEU 10 HA LEU 10 16.129 -6.221 2.949 64 1HB LEU 10 2HB LEU 10 18.564 -6.482 1.738 65 2HB LEU 10 1HB LEU 10 18.630 -7.780 2.913 66 HG LEU 10 HG LEU 10 16.281 -8.413 1.905 67 1HD1 LEU 10 1HD1 LEU 10 15.697 -6.915 0.322 68 2HD1 LEU 10 2HD1 LEU 10 16.744 -7.903 -0.699 69 3HD1 LEU 10 3HD1 LEU 10 17.362 -6.418 0.024 70 1HD2 LEU 10 1HD2 LEU 10 18.708 -8.948 0.230 71 2HD2 LEU 10 2HD2 LEU 10 17.343 -10.011 0.573 72 3HD2 LEU 10 3HD2 LEU 10 18.512 -9.639 1.840 73 H GLY 11 H GLY 11 15.257 -7.652 4.333 74 1HA GLY 11 2HA GLY 11 15.162 -9.126 6.141 75 2HA GLY 11 1HA GLY 11 16.811 -8.687 6.557 76 H HIS 12 H HIS 12 15.524 -5.763 6.170 77 HA HIS 12 HA HIS 12 14.701 -5.617 8.984 78 1HB HIS 12 2HB HIS 12 16.438 -4.151 8.964 79 2HB HIS 12 1HB HIS 12 16.358 -3.928 7.221 80 HD1 HIS 12 1HD HIS 12 14.939 -2.025 6.335 81 HD2 HIS 12 2HD HIS 12 15.000 -2.270 10.476 82 HE1 HIS 12 1HE HIS 12 14.035 0.185 7.151 83 HE2 HIS 12 2HE HIS 12 14.166 0.042 9.665 84 H GLY 13 H GLY 13 13.114 -3.785 9.421 85 1HA GLY 13 2HA GLY 13 10.764 -4.264 7.865 86 2HA GLY 13 1HA GLY 13 10.915 -3.116 9.188 87 H ILE 14 H ILE 14 9.416 -1.990 7.590 88 HA ILE 14 HA ILE 14 10.447 0.317 6.646 89 HB ILE 14 HB ILE 14 11.867 -0.960 5.095 90 1HG1 ILE 14 2HG1 ILE 14 10.601 0.143 2.926 91 2HG1 ILE 14 1HG1 ILE 14 9.925 1.068 4.261 92 1HG2 ILE 14 1HG2 ILE 14 9.241 -2.003 4.115 93 2HG2 ILE 14 2HG2 ILE 14 10.677 -2.901 4.602 94 3HG2 ILE 14 3HG2 ILE 14 10.675 -1.993 3.089 95 1HD1 ILE 14 1HD1 ILE 14 12.858 0.680 4.228 96 2HD1 ILE 14 2HD1 ILE 14 11.898 2.067 4.746 97 3HD1 ILE 14 3HD1 ILE 14 12.159 1.769 3.028 98 H ASP 15 H ASP 15 8.822 1.650 6.051 99 HA ASP 15 HA ASP 15 6.247 0.394 5.361 100 1HB ASP 15 2HB ASP 15 6.735 1.751 7.652 101 2HB ASP 15 1HB ASP 15 6.213 3.074 6.615 102 H LEU 16 H LEU 16 5.188 1.116 3.613 103 HA LEU 16 HA LEU 16 6.494 3.163 1.980 104 1HB LEU 16 2HB LEU 16 4.734 0.861 1.497 105 2HB LEU 16 1HB LEU 16 4.300 2.270 0.561 106 HG LEU 16 HG LEU 16 5.886 1.835 -0.939 107 1HD1 LEU 16 1HD1 LEU 16 8.280 1.471 -0.353 108 2HD1 LEU 16 2HD1 LEU 16 7.832 1.606 1.345 109 3HD1 LEU 16 3HD1 LEU 16 7.596 2.976 0.259 110 1HD2 LEU 16 1HD2 LEU 16 5.231 -0.524 0.046 111 2HD2 LEU 16 2HD2 LEU 16 6.941 -0.547 0.469 112 3HD2 LEU 16 3HD2 LEU 16 6.452 -0.342 -1.213 113 H ASP 17 H ASP 17 5.908 5.183 2.570 114 HA ASP 17 HA ASP 17 3.203 5.703 3.481 115 1HB ASP 17 2HB ASP 17 5.548 7.585 3.192 116 2HB ASP 17 1HB ASP 17 4.011 7.964 3.964 117 H ILE 18 H ILE 18 1.623 6.326 2.240 118 HA ILE 18 HA ILE 18 2.029 7.035 -0.519 119 HB ILE 18 HB ILE 18 -0.506 6.975 1.114 120 1HG1 ILE 18 2HG1 ILE 18 1.005 4.892 -0.398 121 2HG1 ILE 18 1HG1 ILE 18 0.198 4.762 1.150 122 1HG2 ILE 18 1HG2 ILE 18 -1.721 7.059 -0.900 123 2HG2 ILE 18 2HG2 ILE 18 -0.277 6.795 -1.876 124 3HG2 ILE 18 3HG2 ILE 18 -0.505 8.328 -1.035 125 1HD1 ILE 18 1HD1 ILE 18 -1.042 4.747 -1.565 126 2HD1 ILE 18 2HD1 ILE 18 -1.977 4.983 -0.086 127 3HD1 ILE 18 3HD1 ILE 18 -1.075 3.487 -0.331 128 HA PRO 19 HA PRO 19 2.370 11.425 0.425 129 1HB PRO 19 2HB PRO 19 1.972 11.676 -2.500 130 2HB PRO 19 1HB PRO 19 3.278 12.294 -1.483 131 1HG PRO 19 2HG PRO 19 3.676 10.221 -3.112 132 2HG PRO 19 1HG PRO 19 4.426 10.280 -1.505 133 1HD PRO 19 2HD PRO 19 2.026 8.745 -2.424 134 2HD PRO 19 1HD PRO 19 3.337 8.240 -1.339 135 H ASN 20 H ASN 20 0.847 12.796 1.010 136 HA ASN 20 HA ASN 20 -1.245 13.627 1.408 137 1HB ASN 20 2HB ASN 20 -0.689 13.933 -1.498 138 2HB ASN 20 1HB ASN 20 -2.299 14.355 -0.922 139 1HD2 ASN 20 1HD2 ASN 20 0.939 14.725 0.475 140 2HD2 ASN 20 2HD2 ASN 20 0.824 16.432 0.718 141 H PHE 21 H PHE 21 -1.852 11.252 2.004 142 HA PHE 21 HA PHE 21 -4.341 10.674 0.613 143 1HB PHE 21 2HB PHE 21 -3.084 9.072 -0.458 144 2HB PHE 21 1HB PHE 21 -2.008 8.836 0.910 145 HD1 PHE 21 1HD PHE 21 -5.574 8.346 -0.037 146 HD2 PHE 21 2HD PHE 21 -2.207 6.918 2.111 147 HE1 PHE 21 1HE PHE 21 -6.855 6.347 0.636 148 HE2 PHE 21 2HE PHE 21 -3.466 4.911 2.783 149 HZ PHE 21 HZ PHE 21 -5.797 4.625 2.041 150 H GLN 22 H GLN 22 -5.903 9.642 1.907 151 HA GLN 22 HA GLN 22 -5.231 9.156 4.709 152 1HB GLN 22 2HB GLN 22 -7.030 11.296 3.690 153 2HB GLN 22 1HB GLN 22 -7.538 10.429 5.133 154 1HG GLN 22 2HG GLN 22 -5.598 11.097 6.322 155 2HG GLN 22 1HG GLN 22 -4.843 11.728 4.859 156 1HE2 GLN 22 1HE2 GLN 22 -5.334 13.102 7.342 157 2HE2 GLN 22 2HE2 GLN 22 -6.358 14.444 6.977 158 H MET 23 H MET 23 -5.955 7.197 5.171 159 HA MET 23 HA MET 23 -7.996 5.934 3.585 160 1HB MET 23 2HB MET 23 -6.011 4.714 4.460 161 2HB MET 23 1HB MET 23 -6.636 4.928 6.090 162 1HG MET 23 2HG MET 23 -8.556 3.735 4.244 163 2HG MET 23 1HG MET 23 -7.094 2.777 4.474 164 1HE MET 23 1HE MET 23 -8.307 0.666 7.172 165 2HE MET 23 2HE MET 23 -7.406 0.918 5.678 166 3HE MET 23 3HE MET 23 -9.168 0.862 5.646 167 H THR 24 H THR 24 -9.724 7.440 4.089 168 HA THR 24 HA THR 24 -10.884 7.064 6.765 169 HB THR 24 HB THR 24 -12.181 9.087 6.339 170 HG1 THR 24 1HG THR 24 -12.166 10.093 4.436 171 1HG2 THR 24 1HG2 THR 24 -10.549 10.546 6.801 172 2HG2 THR 24 2HG2 THR 24 -9.581 10.072 5.406 173 3HG2 THR 24 3HG2 THR 24 -9.543 9.100 6.876 174 H ASP 25 H ASP 25 -13.480 7.591 6.405 175 HA ASP 25 HA ASP 25 -14.545 5.202 5.432 176 1HB ASP 25 2HB ASP 25 -15.685 7.828 6.269 177 2HB ASP 25 1HB ASP 25 -16.735 6.713 5.399 178 H ASP 26 H ASP 26 -14.065 8.307 3.871 179 HA ASP 26 HA ASP 26 -15.652 7.916 1.599 180 1HB ASP 26 2HB ASP 26 -13.179 9.557 2.106 181 2HB ASP 26 1HB ASP 26 -13.953 9.531 0.525 182 H ILE 27 H ILE 27 -12.591 6.568 2.490 183 HA ILE 27 HA ILE 27 -11.818 5.800 -0.156 184 HB ILE 27 HB ILE 27 -10.798 5.005 2.571 185 1HG1 ILE 27 2HG1 ILE 27 -10.327 7.308 2.086 186 2HG1 ILE 27 1HG1 ILE 27 -8.847 6.404 1.839 187 1HG2 ILE 27 1HG2 ILE 27 -9.590 4.358 -0.115 188 2HG2 ILE 27 2HG2 ILE 27 -10.369 3.203 0.968 189 3HG2 ILE 27 3HG2 ILE 27 -8.881 4.009 1.460 190 1HD1 ILE 27 1HD1 ILE 27 -9.662 6.332 -0.644 191 2HD1 ILE 27 2HD1 ILE 27 -8.847 7.758 0.000 192 3HD1 ILE 27 3HD1 ILE 27 -10.606 7.737 -0.148 193 H ASP 28 H ASP 28 -12.435 3.920 -1.237 194 HA ASP 28 HA ASP 28 -13.977 1.955 0.303 195 1HB ASP 28 2HB ASP 28 -14.792 3.369 -1.862 196 2HB ASP 28 1HB ASP 28 -14.155 1.927 -2.644 197 H GLU 29 H GLU 29 -11.557 2.241 -2.338 198 HA GLU 29 HA GLU 29 -10.687 -0.468 -1.562 199 1HB GLU 29 2HB GLU 29 -12.094 -0.662 -3.549 200 2HB GLU 29 1HB GLU 29 -11.085 0.498 -4.396 201 1HG GLU 29 2HG GLU 29 -9.189 -1.069 -4.219 202 2HG GLU 29 1HG GLU 29 -10.263 -2.239 -3.452 203 H VAL 30 H VAL 30 -8.622 -0.450 -0.974 204 HA VAL 30 HA VAL 30 -6.778 1.487 -2.234 205 HB VAL 30 HB VAL 30 -6.212 0.051 0.364 206 1HG1 VAL 30 1HG1 VAL 30 -4.905 2.103 -1.268 207 2HG1 VAL 30 2HG1 VAL 30 -4.225 0.961 -0.109 208 3HG1 VAL 30 3HG1 VAL 30 -4.968 2.457 0.459 209 1HG2 VAL 30 1HG2 VAL 30 -7.036 1.955 1.588 210 2HG2 VAL 30 2HG2 VAL 30 -8.332 1.331 0.568 211 3HG2 VAL 30 3HG2 VAL 30 -7.458 2.786 0.091 212 H ARG 31 H ARG 31 -5.510 0.565 -3.749 213 HA ARG 31 HA ARG 31 -4.777 -2.266 -3.380 214 1HB ARG 31 2HB ARG 31 -4.492 -1.018 -6.057 215 2HB ARG 31 1HB ARG 31 -4.974 -2.649 -5.618 216 1HG ARG 31 2HG ARG 31 -7.142 -1.529 -4.762 217 2HG ARG 31 1HG ARG 31 -6.636 -0.173 -5.771 218 1HD ARG 31 2HD ARG 31 -8.105 -1.569 -7.053 219 2HD ARG 31 1HD ARG 31 -6.471 -1.739 -7.693 220 HE ARG 31 HE ARG 31 -6.979 -3.746 -5.771 221 1HH1 ARG 31 1HH1 ARG 31 -7.794 -2.835 -9.039 222 2HH1 ARG 31 2HH1 ARG 31 -8.081 -4.463 -9.554 223 1HH2 ARG 31 1HH2 ARG 31 -7.354 -5.887 -6.446 224 2HH2 ARG 31 2HH2 ARG 31 -7.832 -6.196 -8.083 225 H TRP 32 H TRP 32 -2.741 -2.878 -3.291 226 HA TRP 32 HA TRP 32 -0.629 -0.878 -3.765 227 1HB TRP 32 2HB TRP 32 -0.843 -3.141 -1.786 228 2HB TRP 32 1HB TRP 32 0.719 -2.483 -2.243 229 HD1 TRP 32 HD TRP 32 -2.451 -1.583 -0.282 230 HE1 TRP 32 1HE TRP 32 -1.937 0.458 1.200 231 HE3 TRP 32 3HE TRP 32 2.193 -0.437 -2.070 232 HZ2 TRP 32 2HZ TRP 32 0.167 2.317 1.557 233 HZ3 TRP 32 3HZ TRP 32 3.389 1.488 -1.112 234 HH2 TRP 32 HH TRP 32 2.394 2.834 0.664 235 H GLU 33 H GLU 33 -0.500 -1.403 -5.990 236 HA GLU 33 HA GLU 33 0.242 -4.166 -6.620 237 1HB GLU 33 2HB GLU 33 -0.478 -1.890 -8.470 238 2HB GLU 33 1HB GLU 33 -0.155 -3.547 -8.960 239 1HG GLU 33 2HG GLU 33 -2.119 -4.345 -7.995 240 2HG GLU 33 1HG GLU 33 -2.321 -2.906 -6.997 241 H ARG 34 H ARG 34 2.064 -4.737 -7.701 242 HA ARG 34 HA ARG 34 4.104 -2.693 -8.196 243 1HB ARG 34 2HB ARG 34 4.268 -4.100 -5.926 244 2HB ARG 34 1HB ARG 34 5.002 -5.275 -7.009 245 1HG ARG 34 2HG ARG 34 6.479 -3.286 -7.765 246 2HG ARG 34 1HG ARG 34 5.960 -2.552 -6.246 247 1HD ARG 34 2HD ARG 34 8.093 -3.755 -6.020 248 2HD ARG 34 1HD ARG 34 6.826 -4.439 -5.001 249 HE ARG 34 HE ARG 34 6.998 -6.390 -6.175 250 1HH1 ARG 34 1HH1 ARG 34 8.464 -3.836 -8.048 251 2HH1 ARG 34 2HH1 ARG 34 9.077 -4.908 -9.262 252 1HH2 ARG 34 1HH2 ARG 34 7.805 -7.801 -7.770 253 2HH2 ARG 34 2HH2 ARG 34 8.703 -7.159 -9.104 254 H GLY 35 H GLY 35 4.710 -2.894 -10.263 255 1HA GLY 35 2HA GLY 35 5.149 -3.840 -12.319 256 2HA GLY 35 1HA GLY 35 5.632 -5.271 -11.425 257 H SER 36 H SER 36 4.527 -7.025 -11.829 258 HA SER 36 HA SER 36 1.760 -6.769 -12.812 259 1HB SER 36 2HB SER 36 3.871 -8.795 -13.585 260 2HB SER 36 1HB SER 36 2.176 -8.906 -14.056 261 HG SER 36 HG SER 36 2.765 -7.707 -15.673 262 H THR 37 H THR 37 2.215 -6.882 -10.099 263 HA THR 37 HA THR 37 0.880 -9.365 -9.423 264 HB THR 37 HB THR 37 3.574 -8.636 -8.261 265 HG1 THR 37 1HG THR 37 2.644 -10.801 -9.822 266 1HG2 THR 37 1HG2 THR 37 2.243 -9.465 -6.447 267 2HG2 THR 37 2HG2 THR 37 3.388 -10.710 -6.947 268 3HG2 THR 37 3HG2 THR 37 1.694 -10.829 -7.422 269 H LEU 38 H LEU 38 0.070 -9.378 -7.196 270 HA LEU 38 HA LEU 38 -0.467 -6.640 -6.253 271 1HB LEU 38 2HB LEU 38 -2.036 -9.131 -6.274 272 2HB LEU 38 1HB LEU 38 -2.085 -8.268 -4.758 273 HG LEU 38 HG LEU 38 -2.934 -7.185 -7.445 274 1HD1 LEU 38 1HD1 LEU 38 -4.281 -8.467 -5.179 275 2HD1 LEU 38 2HD1 LEU 38 -4.792 -8.296 -6.861 276 3HD1 LEU 38 3HD1 LEU 38 -5.027 -6.964 -5.729 277 1HD2 LEU 38 1HD2 LEU 38 -1.979 -5.356 -6.292 278 2HD2 LEU 38 2HD2 LEU 38 -2.659 -5.875 -4.750 279 3HD2 LEU 38 3HD2 LEU 38 -3.716 -5.247 -6.014 280 H VAL 39 H VAL 39 -0.159 -6.090 -4.091 281 HA VAL 39 HA VAL 39 1.504 -7.984 -2.576 282 HB VAL 39 HB VAL 39 1.664 -4.977 -2.764 283 1HG1 VAL 39 1HG1 VAL 39 1.822 -5.509 -0.421 284 2HG1 VAL 39 2HG1 VAL 39 3.425 -5.094 -1.030 285 3HG1 VAL 39 3HG1 VAL 39 2.997 -6.782 -0.750 286 1HG2 VAL 39 1HG2 VAL 39 3.682 -5.287 -3.812 287 2HG2 VAL 39 2HG2 VAL 39 2.874 -6.776 -4.310 288 3HG2 VAL 39 3HG2 VAL 39 4.011 -6.798 -2.961 289 H ALA 40 H ALA 40 -0.944 -5.451 -2.385 290 HA ALA 40 HA ALA 40 -2.334 -6.758 -0.287 291 1HB ALA 40 1HB ALA 40 -0.390 -5.823 0.972 292 2HB ALA 40 2HB ALA 40 -1.966 -5.269 1.539 293 3HB ALA 40 3HB ALA 40 -0.964 -4.210 0.547 294 H GLU 41 H GLU 41 -4.357 -6.365 -0.919 295 HA GLU 41 HA GLU 41 -5.040 -3.627 -1.733 296 1HB GLU 41 2HB GLU 41 -6.105 -4.404 -3.549 297 2HB GLU 41 1HB GLU 41 -5.239 -5.906 -3.267 298 1HG GLU 41 2HG GLU 41 -7.218 -6.516 -1.758 299 2HG GLU 41 1HG GLU 41 -8.049 -5.204 -2.568 300 H PHE 42 H PHE 42 -7.012 -2.804 -1.049 301 HA PHE 42 HA PHE 42 -8.349 -4.247 1.115 302 1HB PHE 42 2HB PHE 42 -6.930 -2.557 2.082 303 2HB PHE 42 1HB PHE 42 -7.559 -1.337 0.990 304 HD1 PHE 42 1HD PHE 42 -8.227 -3.283 4.012 305 HD2 PHE 42 2HD PHE 42 -9.745 -0.385 1.291 306 HE1 PHE 42 1HE PHE 42 -9.990 -2.692 5.626 307 HE2 PHE 42 2HE PHE 42 -11.508 0.209 2.891 308 HZ PHE 42 HZ PHE 42 -11.634 -0.942 5.069 309 H LYS 43 H LYS 43 -10.554 -3.578 1.508 310 HA LYS 43 HA LYS 43 -11.855 -2.042 -0.592 311 1HB LYS 43 2HB LYS 43 -12.127 -4.969 -0.220 312 2HB LYS 43 1HB LYS 43 -13.619 -4.076 -0.483 313 1HG LYS 43 2HG LYS 43 -13.143 -4.453 -2.643 314 2HG LYS 43 1HG LYS 43 -12.106 -3.038 -2.448 315 1HD LYS 43 2HD LYS 43 -10.174 -4.383 -2.161 316 2HD LYS 43 1HD LYS 43 -11.138 -5.849 -1.972 317 1HE LYS 43 2HE LYS 43 -11.609 -4.438 -4.491 318 2HE LYS 43 1HE LYS 43 -9.952 -5.009 -4.294 319 1HZ LYS 43 1HZ LYS 43 -10.583 -7.156 -4.407 320 2HZ LYS 43 2HZ LYS 43 -11.898 -6.520 -5.259 321 3HZ LYS 43 3HZ LYS 43 -12.058 -6.899 -3.618 322 H ARG 44 H ARG 44 -14.267 -1.842 -0.067 323 HA ARG 44 HA ARG 44 -14.510 -1.251 2.760 324 1HB ARG 44 2HB ARG 44 -15.232 0.171 0.539 325 2HB ARG 44 1HB ARG 44 -16.750 -0.573 1.006 326 1HG ARG 44 2HG ARG 44 -15.556 0.440 3.356 327 2HG ARG 44 1HG ARG 44 -15.456 1.698 2.123 328 1HD ARG 44 2HD ARG 44 -17.549 1.660 3.572 329 2HD ARG 44 1HD ARG 44 -17.784 1.746 1.826 330 HE ARG 44 HE ARG 44 -17.819 -0.946 2.588 331 1HH1 ARG 44 1HH1 ARG 44 -19.729 1.947 2.997 332 2HH1 ARG 44 2HH1 ARG 44 -21.225 1.088 3.151 333 1HH2 ARG 44 1HH2 ARG 44 -19.789 -2.076 2.787 334 2HH2 ARG 44 2HH2 ARG 44 -21.259 -1.195 3.032 335 H LYS 45 H LYS 45 -15.034 -2.967 3.783 336 HA LYS 45 HA LYS 45 -16.467 -4.493 4.751 337 1HB LYS 45 2HB LYS 45 -18.319 -3.140 3.570 338 2HB LYS 45 1HB LYS 45 -18.254 -4.386 2.331 339 1HG LYS 45 2HG LYS 45 -18.485 -5.945 4.487 340 2HG LYS 45 1HG LYS 45 -19.301 -4.501 5.090 341 1HD LYS 45 2HD LYS 45 -20.729 -4.525 3.059 342 2HD LYS 45 1HD LYS 45 -19.970 -6.047 2.587 343 1HE LYS 45 2HE LYS 45 -20.809 -7.136 4.562 344 2HE LYS 45 1HE LYS 45 -21.438 -5.609 5.183 345 1HZ LYS 45 1HZ LYS 45 -22.357 -6.602 2.571 346 2HZ LYS 45 2HZ LYS 45 -23.155 -5.601 3.677 347 3HZ LYS 45 3HZ LYS 45 -23.012 -7.258 3.987 348 H MET 46 H MET 46 -16.070 -4.796 1.232 349 HA MET 46 HA MET 46 -16.190 -7.573 1.046 350 1HB MET 46 2HB MET 46 -16.047 -5.799 -0.825 351 2HB MET 46 1HB MET 46 -14.304 -5.930 -0.627 352 1HG MET 46 2HG MET 46 -14.217 -8.018 -1.523 353 2HG MET 46 1HG MET 46 -15.845 -8.435 -0.992 354 1HE MET 46 1HE MET 46 -15.004 -9.303 -4.013 355 2HE MET 46 2HE MET 46 -16.591 -8.902 -4.671 356 3HE MET 46 3HE MET 46 -16.456 -9.594 -3.054 357 H LYS 47 H LYS 47 -14.239 -8.978 0.421 358 HA LYS 47 HA LYS 47 -12.356 -8.837 2.619 359 1HB LYS 47 2HB LYS 47 -12.921 -10.911 0.507 360 2HB LYS 47 1HB LYS 47 -11.582 -11.060 1.635 361 1HG LYS 47 2HG LYS 47 -13.525 -10.626 3.395 362 2HG LYS 47 1HG LYS 47 -14.492 -11.328 2.095 363 1HD LYS 47 2HD LYS 47 -13.569 -13.382 2.341 364 2HD LYS 47 1HD LYS 47 -11.979 -12.733 2.744 365 1HE LYS 47 2HE LYS 47 -14.351 -12.725 4.604 366 2HE LYS 47 1HE LYS 47 -13.079 -13.945 4.616 367 1HZ LYS 47 1HZ LYS 47 -12.836 -11.062 5.252 368 2HZ LYS 47 2HZ LYS 47 -11.491 -12.046 4.965 369 3HZ LYS 47 3HZ LYS 47 -12.521 -12.382 6.264 370 HA PRO 48 HA PRO 48 -9.175 -7.096 0.030 371 1HB PRO 48 2HB PRO 48 -7.199 -7.016 1.838 372 2HB PRO 48 1HB PRO 48 -8.609 -5.958 1.959 373 1HG PRO 48 2HG PRO 48 -7.971 -8.447 3.469 374 2HG PRO 48 1HG PRO 48 -8.748 -6.957 4.032 375 1HD PRO 48 2HD PRO 48 -10.076 -9.298 3.329 376 2HD PRO 48 1HD PRO 48 -10.816 -7.689 3.427 377 H PHE 49 H PHE 49 -6.659 -7.569 -0.208 378 HA PHE 49 HA PHE 49 -6.247 -10.478 -0.352 379 1HB PHE 49 2HB PHE 49 -6.798 -9.862 -2.592 380 2HB PHE 49 1HB PHE 49 -5.763 -8.441 -2.526 381 HD1 PHE 49 1HD PHE 49 -3.418 -8.592 -2.970 382 HD2 PHE 49 2HD PHE 49 -5.799 -12.115 -2.733 383 HE1 PHE 49 1HE PHE 49 -1.567 -9.897 -3.905 384 HE2 PHE 49 2HE PHE 49 -3.945 -13.431 -3.674 385 HZ PHE 49 HZ PHE 49 -1.823 -12.323 -4.258 386 H LEU 50 H LEU 50 -4.669 -10.826 1.093 387 HA LEU 50 HA LEU 50 -2.435 -8.948 1.243 388 1HB LEU 50 2HB LEU 50 -3.698 -10.883 3.091 389 2HB LEU 50 1HB LEU 50 -1.955 -10.760 3.201 390 HG LEU 50 HG LEU 50 -3.949 -8.534 3.602 391 1HD1 LEU 50 1HD1 LEU 50 -2.691 -8.523 5.859 392 2HD1 LEU 50 2HD1 LEU 50 -2.213 -10.161 5.414 393 3HD1 LEU 50 3HD1 LEU 50 -3.921 -9.753 5.570 394 1HD2 LEU 50 1HD2 LEU 50 -1.084 -8.488 2.984 395 2HD2 LEU 50 2HD2 LEU 50 -1.551 -7.536 4.396 396 3HD2 LEU 50 3HD2 LEU 50 -2.303 -7.224 2.830 397 H LYS 51 H LYS 51 -0.738 -9.414 -0.034 398 HA LYS 51 HA LYS 51 -0.306 -11.678 -1.501 399 1HB LYS 51 2HB LYS 51 0.949 -9.619 -1.838 400 2HB LYS 51 1HB LYS 51 1.793 -9.856 -0.315 401 1HG LYS 51 2HG LYS 51 2.897 -11.814 -1.175 402 2HG LYS 51 1HG LYS 51 1.962 -11.725 -2.669 403 1HD LYS 51 2HD LYS 51 3.055 -9.242 -2.589 404 2HD LYS 51 1HD LYS 51 4.325 -10.195 -1.818 405 1HE LYS 51 2HE LYS 51 4.040 -11.798 -3.806 406 2HE LYS 51 1HE LYS 51 3.171 -10.471 -4.575 407 1HZ LYS 51 1HZ LYS 51 6.013 -10.706 -3.926 408 2HZ LYS 51 2HZ LYS 51 5.318 -9.167 -3.839 409 3HZ LYS 51 3HZ LYS 51 5.268 -10.036 -5.290 410 H SER 52 H SER 52 0.915 -11.028 1.771 411 HA SER 52 HA SER 52 0.821 -13.720 2.559 412 1HB SER 52 2HB SER 52 3.050 -14.459 2.467 413 2HB SER 52 1HB SER 52 2.803 -13.690 0.899 414 HG SER 52 HG SER 52 4.508 -12.586 1.443 415 H GLY 53 H GLY 53 1.925 -14.082 4.673 416 1HA GLY 53 2HA GLY 53 1.230 -12.123 6.503 417 2HA GLY 53 1HA GLY 53 2.324 -13.435 6.897 418 H ALA 54 H ALA 54 3.979 -12.069 4.464 419 HA ALA 54 HA ALA 54 5.734 -10.692 6.241 420 1HB ALA 54 1HB ALA 54 7.262 -10.858 4.597 421 2HB ALA 54 2HB ALA 54 6.132 -10.335 3.349 422 3HB ALA 54 3HB ALA 54 6.107 -12.003 3.919 423 H PHE 55 H PHE 55 2.894 -9.672 5.009 424 HA PHE 55 HA PHE 55 3.774 -6.872 5.061 425 1HB PHE 55 2HB PHE 55 1.710 -7.973 3.148 426 2HB PHE 55 1HB PHE 55 2.228 -6.302 3.269 427 HD1 PHE 55 1HD PHE 55 4.575 -5.713 2.688 428 HD2 PHE 55 2HD PHE 55 2.889 -9.514 1.811 429 HE1 PHE 55 1HE PHE 55 6.331 -6.092 1.008 430 HE2 PHE 55 2HE PHE 55 4.649 -9.913 0.134 431 HZ PHE 55 HZ PHE 55 6.373 -8.200 -0.268 432 H GLU 56 H GLU 56 2.133 -5.354 5.647 433 HA GLU 56 HA GLU 56 -0.345 -6.365 6.756 434 1HB GLU 56 2HB GLU 56 1.410 -6.607 8.561 435 2HB GLU 56 1HB GLU 56 1.572 -4.856 8.542 436 1HG GLU 56 2HG GLU 56 -0.574 -4.528 9.391 437 2HG GLU 56 1HG GLU 56 -1.081 -6.169 8.992 438 H ILE 57 H ILE 57 -1.845 -5.002 6.076 439 HA ILE 57 HA ILE 57 -1.178 -2.395 5.104 440 HB ILE 57 HB ILE 57 -2.938 -3.755 4.050 441 1HG1 ILE 57 2HG1 ILE 57 -4.324 -1.322 5.106 442 2HG1 ILE 57 1HG1 ILE 57 -2.847 -1.131 4.168 443 1HG2 ILE 57 1HG2 ILE 57 -5.082 -3.143 5.875 444 2HG2 ILE 57 2HG2 ILE 57 -3.849 -4.128 6.659 445 3HG2 ILE 57 3HG2 ILE 57 -4.611 -4.689 5.172 446 1HD1 ILE 57 1HD1 ILE 57 -4.987 -2.853 3.052 447 2HD1 ILE 57 2HD1 ILE 57 -3.825 -1.809 2.233 448 3HD1 ILE 57 3HD1 ILE 57 -5.225 -1.105 3.042 449 H LEU 58 H LEU 58 -0.533 -0.999 6.649 450 HA LEU 58 HA LEU 58 -1.360 -0.768 9.256 451 1HB LEU 58 2HB LEU 58 0.119 0.812 7.388 452 2HB LEU 58 1HB LEU 58 -0.945 1.869 8.293 453 HG LEU 58 HG LEU 58 0.049 1.253 10.366 454 1HD1 LEU 58 1HD1 LEU 58 1.257 -0.982 8.788 455 2HD1 LEU 58 2HD1 LEU 58 0.372 -1.040 10.311 456 3HD1 LEU 58 3HD1 LEU 58 2.021 -0.418 10.274 457 1HD2 LEU 58 1HD2 LEU 58 2.621 1.465 9.558 458 2HD2 LEU 58 2HD2 LEU 58 1.505 2.824 9.682 459 3HD2 LEU 58 3HD2 LEU 58 1.776 2.043 8.123 460 H ALA 59 H ALA 59 -2.620 1.076 10.234 461 HA ALA 59 HA ALA 59 -5.311 0.930 9.365 462 1HB ALA 59 1HB ALA 59 -4.654 1.201 11.720 463 2HB ALA 59 2HB ALA 59 -5.803 2.433 11.197 464 3HB ALA 59 3HB ALA 59 -4.093 2.833 11.360 465 H ASN 60 H ASN 60 -2.730 3.127 8.647 466 HA ASN 60 HA ASN 60 -4.584 5.110 7.560 467 1HB ASN 60 2HB ASN 60 -2.623 6.542 7.293 468 2HB ASN 60 1HB ASN 60 -2.713 5.921 8.939 469 1HD2 ASN 60 1HD2 ASN 60 -1.304 4.186 9.527 470 2HD2 ASN 60 2HD2 ASN 60 0.205 3.980 8.712 471 H GLY 61 H GLY 61 -4.350 2.520 6.293 472 1HA GLY 61 2HA GLY 61 -4.170 1.624 4.187 473 2HA GLY 61 1HA GLY 61 -4.257 3.282 3.611 474 H ASP 62 H ASP 62 -1.718 2.013 5.681 475 HA ASP 62 HA ASP 62 0.203 2.578 3.532 476 1HB ASP 62 2HB ASP 62 0.190 3.317 6.228 477 2HB ASP 62 1HB ASP 62 1.403 2.046 6.121 478 H LEU 63 H LEU 63 2.192 1.181 3.531 479 HA LEU 63 HA LEU 63 1.371 -1.659 3.818 480 1HB LEU 63 2HB LEU 63 2.023 -0.687 1.541 481 2HB LEU 63 1HB LEU 63 3.661 -0.606 2.165 482 HG LEU 63 HG LEU 63 3.353 -3.137 2.649 483 1HD1 LEU 63 1HD1 LEU 63 1.469 -2.990 0.336 484 2HD1 LEU 63 2HD1 LEU 63 0.854 -2.885 1.987 485 3HD1 LEU 63 3HD1 LEU 63 1.754 -4.314 1.472 486 1HD2 LEU 63 1HD2 LEU 63 4.980 -2.523 1.107 487 2HD2 LEU 63 2HD2 LEU 63 3.801 -1.827 -0.002 488 3HD2 LEU 63 3HD2 LEU 63 3.913 -3.575 0.176 489 H LYS 64 H LYS 64 2.288 -2.762 5.440 490 HA LYS 64 HA LYS 64 4.832 -1.769 6.530 491 1HB LYS 64 2HB LYS 64 2.515 -2.215 7.864 492 2HB LYS 64 1HB LYS 64 3.295 -3.778 8.060 493 1HG LYS 64 2HG LYS 64 4.969 -1.412 8.609 494 2HG LYS 64 1HG LYS 64 3.648 -1.722 9.738 495 1HD LYS 64 2HD LYS 64 5.266 -4.068 8.981 496 2HD LYS 64 1HD LYS 64 6.096 -2.842 9.941 497 1HE LYS 64 2HE LYS 64 5.080 -4.536 11.371 498 2HE LYS 64 1HE LYS 64 4.336 -2.959 11.626 499 1HZ LYS 64 1HZ LYS 64 2.571 -4.464 11.514 500 2HZ LYS 64 2HZ LYS 64 3.224 -5.295 10.195 501 3HZ LYS 64 3HZ LYS 64 2.591 -3.741 9.984 502 H ILE 65 H ILE 65 6.526 -2.839 5.751 503 HA ILE 65 HA ILE 65 6.267 -5.630 4.944 504 HB ILE 65 HB ILE 65 8.832 -4.083 4.842 505 1HG1 ILE 65 2HG1 ILE 65 6.475 -3.823 2.956 506 2HG1 ILE 65 1HG1 ILE 65 7.271 -2.542 3.861 507 1HG2 ILE 65 1HG2 ILE 65 7.737 -6.544 3.700 508 2HG2 ILE 65 2HG2 ILE 65 9.408 -6.083 4.023 509 3HG2 ILE 65 3HG2 ILE 65 8.614 -5.537 2.550 510 1HD1 ILE 65 1HD1 ILE 65 9.237 -3.774 2.249 511 2HD1 ILE 65 2HD1 ILE 65 8.574 -2.144 2.127 512 3HD1 ILE 65 3HD1 ILE 65 7.824 -3.470 1.238 513 H LYS 66 H LYS 66 7.198 -7.343 5.996 514 HA LYS 66 HA LYS 66 8.076 -6.875 8.705 515 1HB LYS 66 2HB LYS 66 6.501 -8.685 8.227 516 2HB LYS 66 1HB LYS 66 7.696 -9.456 7.193 517 1HG LYS 66 2HG LYS 66 9.174 -9.714 9.157 518 2HG LYS 66 1HG LYS 66 7.897 -9.035 10.168 519 1HD LYS 66 2HD LYS 66 6.527 -10.978 8.880 520 2HD LYS 66 1HD LYS 66 8.133 -11.707 8.946 521 1HE LYS 66 2HE LYS 66 8.165 -11.218 11.396 522 2HE LYS 66 1HE LYS 66 6.484 -10.704 11.260 523 1HZ LYS 66 1HZ LYS 66 7.587 -13.413 10.775 524 2HZ LYS 66 2HZ LYS 66 6.014 -12.965 10.344 525 3HZ LYS 66 3HZ LYS 66 6.482 -12.945 11.969 526 H ASN 67 H ASN 67 9.431 -8.353 5.818 527 HA ASN 67 HA ASN 67 12.111 -7.758 6.797 528 1HB ASN 67 2HB ASN 67 11.009 -10.373 6.835 529 2HB ASN 67 1HB ASN 67 12.194 -10.333 5.533 530 1HD2 ASN 67 1HD2 ASN 67 13.895 -11.358 6.341 531 2HD2 ASN 67 2HD2 ASN 67 14.695 -10.959 7.820 532 H LEU 68 H LEU 68 12.890 -6.488 5.259 533 HA LEU 68 HA LEU 68 11.968 -6.265 2.666 534 1HB LEU 68 2HB LEU 68 14.549 -5.522 3.986 535 2HB LEU 68 1HB LEU 68 14.306 -5.242 2.272 536 HG LEU 68 HG LEU 68 12.223 -4.253 4.133 537 1HD1 LEU 68 1HD1 LEU 68 14.192 -3.539 5.297 538 2HD1 LEU 68 2HD1 LEU 68 13.512 -2.152 4.452 539 3HD1 LEU 68 3HD1 LEU 68 14.929 -2.973 3.799 540 1HD2 LEU 68 1HD2 LEU 68 12.859 -2.317 2.283 541 2HD2 LEU 68 2HD2 LEU 68 11.554 -3.497 2.155 542 3HD2 LEU 68 3HD2 LEU 68 13.116 -3.826 1.410 543 H THR 69 H THR 69 12.790 -6.871 0.674 544 HA THR 69 HA THR 69 14.834 -8.923 0.523 545 HB THR 69 HB THR 69 13.185 -10.356 -0.878 546 HG1 THR 69 1HG THR 69 11.072 -10.081 -0.459 547 1HG2 THR 69 1HG2 THR 69 12.351 -11.545 1.094 548 2HG2 THR 69 2HG2 THR 69 12.907 -10.215 2.111 549 3HG2 THR 69 3HG2 THR 69 14.072 -11.178 1.202 550 H ARG 70 H ARG 70 15.442 -9.435 -1.686 551 HA ARG 70 HA ARG 70 15.845 -7.218 -3.285 552 1HB ARG 70 2HB ARG 70 16.030 -9.095 -5.172 553 2HB ARG 70 1HB ARG 70 17.255 -8.886 -3.930 554 1HG ARG 70 2HG ARG 70 16.792 -10.854 -2.953 555 2HG ARG 70 1HG ARG 70 15.056 -10.706 -3.229 556 1HD ARG 70 2HD ARG 70 15.148 -11.768 -5.225 557 2HD ARG 70 1HD ARG 70 16.721 -11.086 -5.635 558 HE ARG 70 HE ARG 70 16.235 -13.631 -4.514 559 1HH1 ARG 70 1HH1 ARG 70 18.451 -10.943 -4.293 560 2HH1 ARG 70 2HH1 ARG 70 19.780 -11.920 -3.768 561 1HH2 ARG 70 1HH2 ARG 70 17.983 -14.917 -3.822 562 2HH2 ARG 70 2HH2 ARG 70 19.515 -14.176 -3.501 563 H ASP 71 H ASP 71 13.451 -9.796 -3.896 564 HA ASP 71 HA ASP 71 12.232 -8.650 -6.108 565 1HB ASP 71 2HB ASP 71 11.806 -10.956 -5.367 566 2HB ASP 71 1HB ASP 71 10.940 -10.346 -3.959 567 H ASP 72 H ASP 72 12.045 -7.726 -2.785 568 HA ASP 72 HA ASP 72 9.568 -6.280 -3.042 569 1HB ASP 72 2HB ASP 72 10.949 -7.278 -0.907 570 2HB ASP 72 1HB ASP 72 11.345 -5.564 -0.807 571 H SER 73 H SER 73 12.804 -5.662 -3.877 572 HA SER 73 HA SER 73 12.714 -2.807 -3.507 573 1HB SER 73 2HB SER 73 14.806 -4.385 -3.581 574 2HB SER 73 1HB SER 73 14.671 -4.175 -5.326 575 HG SER 73 HG SER 73 15.444 -2.236 -5.125 576 H GLY 74 H GLY 74 11.899 -1.337 -4.890 577 1HA GLY 74 2HA GLY 74 12.052 -1.084 -7.528 578 2HA GLY 74 1HA GLY 74 10.777 -2.288 -7.385 579 H THR 75 H THR 75 9.630 -0.536 -8.533 580 HA THR 75 HA THR 75 8.782 1.740 -6.895 581 HB THR 75 HB THR 75 7.602 1.165 -9.567 582 HG1 THR 75 1HG THR 75 9.457 0.998 -10.491 583 1HG2 THR 75 1HG2 THR 75 7.498 3.412 -9.821 584 2HG2 THR 75 2HG2 THR 75 8.946 3.698 -8.857 585 3HG2 THR 75 3HG2 THR 75 7.421 3.311 -8.063 586 H TYR 76 H TYR 76 6.986 1.733 -5.715 587 HA TYR 76 HA TYR 76 5.007 -0.398 -6.144 588 1HB TYR 76 2HB TYR 76 5.715 1.276 -3.741 589 2HB TYR 76 1HB TYR 76 4.200 0.384 -3.825 590 HD1 TYR 76 1HD TYR 76 7.848 -0.217 -4.385 591 HD2 TYR 76 2HD TYR 76 4.168 -1.713 -2.865 592 HE1 TYR 76 1HE TYR 76 8.999 -2.234 -3.586 593 HE2 TYR 76 2HE TYR 76 5.318 -3.736 -2.060 594 HH TYR 76 HH TYR 76 8.762 -4.269 -2.673 595 H ASN 77 H ASN 77 2.999 0.081 -6.833 596 HA ASN 77 HA ASN 77 2.289 2.930 -7.047 597 1HB ASN 77 2HB ASN 77 1.739 0.576 -8.827 598 2HB ASN 77 1HB ASN 77 0.716 2.006 -8.889 599 1HD2 ASN 77 1HD2 ASN 77 3.981 0.812 -9.306 600 2HD2 ASN 77 2HD2 ASN 77 4.520 2.089 -10.338 601 H VAL 78 H VAL 78 0.582 3.634 -5.942 602 HA VAL 78 HA VAL 78 -1.274 1.632 -4.843 603 HB VAL 78 HB VAL 78 -1.416 4.382 -3.769 604 1HG1 VAL 78 1HG1 VAL 78 -2.462 3.330 -2.119 605 2HG1 VAL 78 2HG1 VAL 78 -1.129 2.197 -1.894 606 3HG1 VAL 78 3HG1 VAL 78 -2.370 1.873 -3.103 607 1HG2 VAL 78 1HG2 VAL 78 0.506 3.559 -2.114 608 2HG2 VAL 78 2HG2 VAL 78 0.843 4.529 -3.549 609 3HG2 VAL 78 3HG2 VAL 78 1.081 2.781 -3.591 610 H THR 79 H THR 79 -3.305 1.599 -5.550 611 HA THR 79 HA THR 79 -4.313 3.942 -7.021 612 HB THR 79 HB THR 79 -5.823 1.513 -7.497 613 HG1 THR 79 1HG THR 79 -3.804 0.507 -7.147 614 1HG2 THR 79 1HG2 THR 79 -6.013 2.364 -9.535 615 2HG2 THR 79 2HG2 THR 79 -4.267 2.532 -9.719 616 3HG2 THR 79 3HG2 THR 79 -5.192 3.788 -8.895 617 H VAL 80 H VAL 80 -5.331 5.040 -5.438 618 HA VAL 80 HA VAL 80 -7.071 3.649 -3.567 619 HB VAL 80 HB VAL 80 -6.274 6.556 -3.786 620 1HG1 VAL 80 1HG1 VAL 80 -7.379 6.937 -1.678 621 2HG1 VAL 80 2HG1 VAL 80 -7.889 5.248 -1.604 622 3HG1 VAL 80 3HG1 VAL 80 -8.543 6.313 -2.847 623 1HG2 VAL 80 1HG2 VAL 80 -4.624 6.146 -2.316 624 2HG2 VAL 80 2HG2 VAL 80 -4.787 4.478 -2.862 625 3HG2 VAL 80 3HG2 VAL 80 -5.596 5.005 -1.387 626 H TYR 81 H TYR 81 -9.179 3.408 -3.845 627 HA TYR 81 HA TYR 81 -10.534 5.132 -5.806 628 1HB TYR 81 2HB TYR 81 -11.269 2.347 -4.941 629 2HB TYR 81 1HB TYR 81 -12.144 3.311 -6.105 630 HD1 TYR 81 1HD TYR 81 -11.278 3.664 -8.349 631 HD2 TYR 81 2HD TYR 81 -9.125 1.321 -5.525 632 HE1 TYR 81 1HE TYR 81 -9.875 2.778 -10.162 633 HE2 TYR 81 2HE TYR 81 -7.719 0.426 -7.330 634 HH TYR 81 HH TYR 81 -7.684 1.761 -10.467 635 H SER 82 H SER 82 -12.614 5.817 -5.383 636 HA SER 82 HA SER 82 -13.169 6.282 -2.568 637 1HB SER 82 2HB SER 82 -15.124 7.559 -4.138 638 2HB SER 82 1HB SER 82 -13.741 8.289 -3.327 639 HG SER 82 HG SER 82 -14.082 7.591 -6.001 640 H THR 83 H THR 83 -15.596 6.421 -2.038 641 HA THR 83 HA THR 83 -16.656 3.823 -2.066 642 HB THR 83 HB THR 83 -18.738 4.923 -1.180 643 HG1 THR 83 1HG THR 83 -17.214 7.302 -1.328 644 1HG2 THR 83 1HG2 THR 83 -16.574 4.383 0.187 645 2HG2 THR 83 2HG2 THR 83 -17.897 5.303 0.904 646 3HG2 THR 83 3HG2 THR 83 -16.468 6.141 0.298 647 H ASN 84 H ASN 84 -16.833 6.317 -4.409 648 HA ASN 84 HA ASN 84 -19.234 5.224 -5.648 649 1HB ASN 84 2HB ASN 84 -17.508 7.610 -6.327 650 2HB ASN 84 1HB ASN 84 -18.895 7.104 -7.287 651 1HD2 ASN 84 1HD2 ASN 84 -20.608 8.285 -6.900 652 2HD2 ASN 84 2HD2 ASN 84 -21.077 8.942 -5.372 653 H GLY 85 H GLY 85 -16.574 3.789 -5.521 654 1HA GLY 85 2HA GLY 85 -15.349 2.415 -6.886 655 2HA GLY 85 1HA GLY 85 -16.676 2.553 -8.028 656 H THR 86 H THR 86 -15.131 5.478 -7.088 657 HA THR 86 HA THR 86 -13.932 5.663 -9.757 658 HB THR 86 HB THR 86 -13.845 8.116 -8.213 659 HG1 THR 86 1HG THR 86 -15.863 8.318 -7.616 660 1HG2 THR 86 1HG2 THR 86 -14.364 7.303 -10.874 661 2HG2 THR 86 2HG2 THR 86 -14.101 8.929 -10.245 662 3HG2 THR 86 3HG2 THR 86 -15.733 8.263 -10.312 663 H ARG 87 H ARG 87 -11.966 7.378 -9.605 664 HA ARG 87 HA ARG 87 -10.044 6.092 -7.798 665 1HB ARG 87 2HB ARG 87 -9.792 6.344 -10.419 666 2HB ARG 87 1HB ARG 87 -9.193 7.941 -9.985 667 1HG ARG 87 2HG ARG 87 -8.095 5.384 -8.843 668 2HG ARG 87 1HG ARG 87 -7.439 6.185 -10.273 669 1HD ARG 87 2HD ARG 87 -7.534 7.201 -7.445 670 2HD ARG 87 1HD ARG 87 -6.116 6.903 -8.451 671 HE ARG 87 HE ARG 87 -7.687 9.276 -8.371 672 1HH1 ARG 87 1HH1 ARG 87 -5.778 7.270 -10.494 673 2HH1 ARG 87 2HH1 ARG 87 -5.380 8.568 -11.568 674 1HH2 ARG 87 1HH2 ARG 87 -7.165 10.985 -9.782 675 2HH2 ARG 87 2HH2 ARG 87 -6.166 10.678 -11.163 676 H ILE 88 H ILE 88 -9.239 7.147 -6.113 677 HA ILE 88 HA ILE 88 -9.839 10.001 -5.841 678 HB ILE 88 HB ILE 88 -9.024 7.936 -3.797 679 1HG1 ILE 88 2HG1 ILE 88 -11.363 7.844 -4.613 680 2HG1 ILE 88 1HG1 ILE 88 -11.260 8.268 -2.908 681 1HG2 ILE 88 1HG2 ILE 88 -9.870 10.169 -2.412 682 2HG2 ILE 88 2HG2 ILE 88 -8.861 10.835 -3.695 683 3HG2 ILE 88 3HG2 ILE 88 -8.202 9.626 -2.594 684 1HD1 ILE 88 1HD1 ILE 88 -12.646 9.931 -3.411 685 2HD1 ILE 88 2HD1 ILE 88 -12.354 9.764 -5.142 686 3HD1 ILE 88 3HD1 ILE 88 -11.249 10.714 -4.150 687 H LEU 89 H LEU 89 -7.110 7.773 -5.199 688 HA LEU 89 HA LEU 89 -5.287 9.872 -6.087 689 1HB LEU 89 2HB LEU 89 -5.374 10.291 -3.744 690 2HB LEU 89 1HB LEU 89 -5.219 8.586 -3.368 691 HG LEU 89 HG LEU 89 -2.980 9.805 -4.879 692 1HD1 LEU 89 1HD1 LEU 89 -1.980 10.733 -2.847 693 2HD1 LEU 89 2HD1 LEU 89 -3.468 10.396 -1.963 694 3HD1 LEU 89 3HD1 LEU 89 -3.472 11.570 -3.280 695 1HD2 LEU 89 1HD2 LEU 89 -2.347 7.710 -4.356 696 2HD2 LEU 89 2HD2 LEU 89 -3.483 7.591 -3.013 697 3HD2 LEU 89 3HD2 LEU 89 -1.943 8.419 -2.792 698 H ASN 90 H ASN 90 -3.782 9.098 -7.365 699 HA ASN 90 HA ASN 90 -3.058 6.246 -7.183 700 1HB ASN 90 2HB ASN 90 -4.298 6.751 -9.257 701 2HB ASN 90 1HB ASN 90 -3.123 8.002 -9.653 702 1HD2 ASN 90 1HD2 ASN 90 -2.788 4.694 -8.426 703 2HD2 ASN 90 2HD2 ASN 90 -1.752 4.144 -9.695 704 H LYS 91 H LYS 91 -1.134 6.197 -6.167 705 HA LYS 91 HA LYS 91 0.892 8.172 -7.015 706 1HB LYS 91 2HB LYS 91 0.526 6.896 -4.306 707 2HB LYS 91 1HB LYS 91 1.874 7.930 -4.746 708 1HG LYS 91 2HG LYS 91 -0.923 8.918 -5.050 709 2HG LYS 91 1HG LYS 91 -0.149 8.910 -3.464 710 1HD LYS 91 2HD LYS 91 0.563 10.956 -4.102 711 2HD LYS 91 1HD LYS 91 1.806 10.029 -4.946 712 1HE LYS 91 2HE LYS 91 0.804 10.310 -7.007 713 2HE LYS 91 1HE LYS 91 -0.790 10.596 -6.308 714 1HZ LYS 91 1HZ LYS 91 -0.182 12.690 -6.967 715 2HZ LYS 91 2HZ LYS 91 1.459 12.460 -6.625 716 3HZ LYS 91 3HZ LYS 91 0.360 12.706 -5.363 717 H ALA 92 H ALA 92 3.131 7.518 -6.741 718 HA ALA 92 HA ALA 92 3.648 4.646 -6.868 719 1HB ALA 92 1HB ALA 92 4.463 6.615 -9.000 720 2HB ALA 92 2HB ALA 92 3.390 5.227 -9.184 721 3HB ALA 92 3HB ALA 92 5.106 4.979 -8.857 722 H LEU 93 H LEU 93 5.246 4.222 -5.482 723 HA LEU 93 HA LEU 93 7.207 6.352 -4.921 724 1HB LEU 93 2HB LEU 93 6.701 4.098 -3.025 725 2HB LEU 93 1HB LEU 93 7.298 5.713 -2.696 726 HG LEU 93 HG LEU 93 4.932 6.508 -3.338 727 1HD1 LEU 93 1HD1 LEU 93 3.343 4.524 -2.542 728 2HD1 LEU 93 2HD1 LEU 93 4.615 3.567 -3.301 729 3HD1 LEU 93 3HD1 LEU 93 3.756 4.791 -4.235 730 1HD2 LEU 93 1HD2 LEU 93 4.113 5.682 -0.994 731 2HD2 LEU 93 2HD2 LEU 93 5.459 6.815 -1.123 732 3HD2 LEU 93 3HD2 LEU 93 5.772 5.101 -0.848 733 H ASP 94 H ASP 94 9.380 5.704 -4.413 734 HA ASP 94 HA ASP 94 10.160 3.262 -5.845 735 1HB ASP 94 2HB ASP 94 11.619 5.840 -5.286 736 2HB ASP 94 1HB ASP 94 12.466 4.391 -5.819 737 H LEU 95 H LEU 95 10.814 1.585 -4.666 738 HA LEU 95 HA LEU 95 11.699 2.087 -1.903 739 1HB LEU 95 2HB LEU 95 9.722 0.702 -1.985 740 2HB LEU 95 1HB LEU 95 10.475 -0.385 -3.127 741 HG LEU 95 HG LEU 95 11.905 -1.309 -1.510 742 1HD1 LEU 95 1HD1 LEU 95 12.485 0.873 -0.436 743 2HD1 LEU 95 2HD1 LEU 95 12.269 -0.476 0.679 744 3HD1 LEU 95 3HD1 LEU 95 10.996 0.730 0.500 745 1HD2 LEU 95 1HD2 LEU 95 10.372 -2.465 -0.332 746 2HD2 LEU 95 2HD2 LEU 95 9.237 -1.575 -1.349 747 3HD2 LEU 95 3HD2 LEU 95 9.589 -1.009 0.284 748 H ARG 96 H ARG 96 13.890 2.317 -2.073 749 HA ARG 96 HA ARG 96 15.398 0.298 -3.552 750 1HB ARG 96 2HB ARG 96 16.984 2.375 -2.223 751 2HB ARG 96 1HB ARG 96 16.979 1.838 -3.889 752 1HG ARG 96 2HG ARG 96 14.979 3.746 -2.719 753 2HG ARG 96 1HG ARG 96 16.389 4.203 -3.670 754 1HD ARG 96 2HD ARG 96 13.956 2.677 -4.549 755 2HD ARG 96 1HD ARG 96 14.585 4.195 -5.184 756 HE ARG 96 HE ARG 96 16.589 2.484 -5.705 757 1HH1 ARG 96 1HH1 ARG 96 13.156 2.321 -6.314 758 2HH1 ARG 96 2HH1 ARG 96 13.329 1.345 -7.733 759 1HH2 ARG 96 1HH2 ARG 96 16.817 1.201 -7.572 760 2HH2 ARG 96 2HH2 ARG 96 15.405 0.708 -8.447 761 H ILE 97 H ILE 97 15.866 -1.468 -2.465 762 HA ILE 97 HA ILE 97 16.381 -1.290 0.419 763 HB ILE 97 HB ILE 97 15.982 -3.853 -1.087 764 1HG1 ILE 97 2HG1 ILE 97 13.716 -2.404 0.259 765 2HG1 ILE 97 1HG1 ILE 97 14.092 -2.105 -1.433 766 1HG2 ILE 97 1HG2 ILE 97 15.041 -3.374 1.682 767 2HG2 ILE 97 2HG2 ILE 97 16.779 -3.493 1.412 768 3HG2 ILE 97 3HG2 ILE 97 15.722 -4.827 0.950 769 1HD1 ILE 97 1HD1 ILE 97 13.728 -4.429 -1.959 770 2HD1 ILE 97 2HD1 ILE 97 12.314 -3.756 -1.148 771 3HD1 ILE 97 3HD1 ILE 97 13.431 -4.793 -0.260 772 H LEU 98 H LEU 98 18.457 -1.179 0.960 773 HA LEU 98 HA LEU 98 20.585 -1.937 -0.720 774 1HB LEU 98 2HB LEU 98 20.192 -0.846 1.990 775 2HB LEU 98 1HB LEU 98 21.679 -1.722 1.742 776 HG LEU 98 HG LEU 98 20.745 0.673 0.181 777 1HD1 LEU 98 1HD1 LEU 98 22.222 1.953 1.370 778 2HD1 LEU 98 2HD1 LEU 98 23.260 0.584 1.767 779 3HD1 LEU 98 3HD1 LEU 98 21.730 0.806 2.616 780 1HD2 LEU 98 1HD2 LEU 98 23.316 0.384 -0.524 781 2HD2 LEU 98 2HD2 LEU 98 21.979 -0.309 -1.441 782 3HD2 LEU 98 3HD2 LEU 98 22.879 -1.311 -0.303 783 H GLU 99 H GLU 99 21.328 -3.907 -1.064 784 HA GLU 99 HA GLU 99 20.372 -6.215 0.200 785 1HB GLU 99 2HB GLU 99 22.838 -5.741 -1.473 786 2HB GLU 99 1HB GLU 99 22.348 -7.335 -0.918 787 1HG GLU 99 2HG GLU 99 20.277 -5.770 -2.304 788 2HG GLU 99 1HG GLU 99 21.646 -6.283 -3.287 Start of MODEL 19 1 1H ARG 1 1H ARG 1 11.376 12.340 6.096 2 2H ARG 1 2H ARG 1 9.665 12.460 6.161 3 3H ARG 1 3H ARG 1 10.605 13.817 5.695 4 HA ARG 1 HA ARG 1 9.764 13.008 3.743 5 1HB ARG 1 2HB ARG 1 12.416 13.183 4.202 6 2HB ARG 1 1HB ARG 1 12.323 11.508 3.676 7 1HG ARG 1 2HG ARG 1 10.896 13.470 2.003 8 2HG ARG 1 1HG ARG 1 12.657 13.577 2.006 9 1HD ARG 1 2HD ARG 1 12.762 11.167 1.459 10 2HD ARG 1 1HD ARG 1 11.002 11.140 1.360 11 HE ARG 1 HE ARG 1 11.685 13.100 -0.372 12 1HH1 ARG 1 1HH1 ARG 1 12.719 9.789 0.006 13 2HH1 ARG 1 2HH1 ARG 1 13.051 9.568 -1.679 14 1HH2 ARG 1 1HH2 ARG 1 12.121 12.812 -2.589 15 2HH2 ARG 1 2HH2 ARG 1 12.712 11.284 -3.153 16 H ASP 2 H ASP 2 9.202 11.290 2.327 17 HA ASP 2 HA ASP 2 9.597 8.567 2.866 18 1HB ASP 2 2HB ASP 2 7.784 9.641 4.646 19 2HB ASP 2 1HB ASP 2 6.743 8.972 3.392 20 H SER 3 H SER 3 7.393 10.992 1.550 21 HA SER 3 HA SER 3 6.136 9.431 -0.391 22 1HB SER 3 2HB SER 3 5.187 11.547 -0.040 23 2HB SER 3 1HB SER 3 6.739 12.371 -0.190 24 HG SER 3 HG SER 3 5.386 12.611 -2.049 25 H GLY 4 H GLY 4 6.842 8.485 -2.191 26 1HA GLY 4 2HA GLY 4 8.021 8.345 -4.222 27 2HA GLY 4 1HA GLY 4 9.054 9.659 -3.684 28 H THR 5 H THR 5 10.940 8.601 -4.231 29 HA THR 5 HA THR 5 11.740 6.029 -3.760 30 HB THR 5 HB THR 5 13.583 8.357 -3.231 31 HG1 THR 5 1HG THR 5 13.571 8.861 -5.294 32 1HG2 THR 5 1HG2 THR 5 15.152 6.813 -3.310 33 2HG2 THR 5 2HG2 THR 5 14.711 6.502 -4.989 34 3HG2 THR 5 3HG2 THR 5 13.965 5.565 -3.693 35 H VAL 6 H VAL 6 12.703 4.891 -2.168 36 HA VAL 6 HA VAL 6 12.773 6.057 0.515 37 HB VAL 6 HB VAL 6 10.649 4.615 -0.171 38 1HG1 VAL 6 1HG1 VAL 6 12.301 2.443 0.954 39 2HG1 VAL 6 2HG1 VAL 6 12.316 2.786 -0.776 40 3HG1 VAL 6 3HG1 VAL 6 10.801 2.373 0.026 41 1HG2 VAL 6 1HG2 VAL 6 10.769 5.553 2.002 42 2HG2 VAL 6 2HG2 VAL 6 12.133 4.526 2.448 43 3HG2 VAL 6 3HG2 VAL 6 10.530 3.823 2.239 44 H TRP 7 H TRP 7 14.338 5.178 1.878 45 HA TRP 7 HA TRP 7 16.178 3.282 0.576 46 1HB TRP 7 2HB TRP 7 16.773 5.417 2.636 47 2HB TRP 7 1HB TRP 7 17.953 4.280 1.989 48 HD1 TRP 7 HD TRP 7 15.865 7.331 0.952 49 HE1 TRP 7 1HE TRP 7 16.908 8.351 -1.168 50 HE3 TRP 7 3HE TRP 7 19.390 3.758 -0.013 51 HZ2 TRP 7 2HZ TRP 7 18.959 7.724 -3.006 52 HZ3 TRP 7 3HZ TRP 7 20.853 4.043 -1.972 53 HH2 TRP 7 HH TRP 7 20.640 5.985 -3.436 54 H GLY 8 H GLY 8 16.554 1.378 1.509 55 1HA GLY 8 2HA GLY 8 16.174 1.055 4.387 56 2HA GLY 8 1HA GLY 8 15.048 0.163 3.386 57 H ALA 9 H ALA 9 16.405 -1.427 4.949 58 HA ALA 9 HA ALA 9 18.581 -2.501 3.278 59 1HB ALA 9 1HB ALA 9 18.346 -2.597 6.281 60 2HB ALA 9 2HB ALA 9 19.494 -1.637 5.349 61 3HB ALA 9 3HB ALA 9 19.595 -3.398 5.326 62 H LEU 10 H LEU 10 18.469 -4.595 2.709 63 HA LEU 10 HA LEU 10 16.040 -5.974 2.817 64 1HB LEU 10 2HB LEU 10 18.391 -6.298 1.479 65 2HB LEU 10 1HB LEU 10 18.450 -7.651 2.594 66 HG LEU 10 HG LEU 10 16.075 -8.196 1.731 67 1HD1 LEU 10 1HD1 LEU 10 16.275 -7.394 -0.861 68 2HD1 LEU 10 2HD1 LEU 10 16.870 -5.973 -0.006 69 3HD1 LEU 10 3HD1 LEU 10 15.269 -6.615 0.360 70 1HD2 LEU 10 1HD2 LEU 10 18.290 -8.524 -0.264 71 2HD2 LEU 10 2HD2 LEU 10 16.971 -9.632 0.114 72 3HD2 LEU 10 3HD2 LEU 10 18.275 -9.384 1.274 73 H GLY 11 H GLY 11 15.089 -7.222 4.263 74 1HA GLY 11 2HA GLY 11 14.983 -8.830 5.978 75 2HA GLY 11 1HA GLY 11 16.674 -8.520 6.342 76 H HIS 12 H HIS 12 15.440 -5.514 6.061 77 HA HIS 12 HA HIS 12 14.844 -5.403 8.934 78 1HB HIS 12 2HB HIS 12 16.521 -3.909 8.913 79 2HB HIS 12 1HB HIS 12 16.517 -3.823 7.160 80 HD1 HIS 12 1HD HIS 12 15.333 -2.036 10.190 81 HD2 HIS 12 2HD HIS 12 15.027 -1.748 6.067 82 HE1 HIS 12 1HE HIS 12 14.515 0.303 9.747 83 HE2 HIS 12 2HE HIS 12 14.451 0.496 7.233 84 H GLY 13 H GLY 13 13.367 -3.510 9.516 85 1HA GLY 13 2HA GLY 13 10.892 -3.910 8.101 86 2HA GLY 13 1HA GLY 13 11.129 -2.905 9.522 87 H ILE 14 H ILE 14 9.484 -2.170 7.369 88 HA ILE 14 HA ILE 14 10.401 0.438 6.878 89 HB ILE 14 HB ILE 14 11.926 -0.829 5.333 90 1HG1 ILE 14 2HG1 ILE 14 11.047 0.662 3.264 91 2HG1 ILE 14 1HG1 ILE 14 10.138 1.405 4.576 92 1HG2 ILE 14 1HG2 ILE 14 9.333 -1.419 3.928 93 2HG2 ILE 14 2HG2 ILE 14 10.519 -2.571 4.542 94 3HG2 ILE 14 3HG2 ILE 14 10.914 -1.549 3.159 95 1HD1 ILE 14 1HD1 ILE 14 12.428 2.374 3.958 96 2HD1 ILE 14 2HD1 ILE 14 13.087 0.973 4.804 97 3HD1 ILE 14 3HD1 ILE 14 12.057 2.120 5.663 98 H ASP 15 H ASP 15 8.753 1.735 6.236 99 HA ASP 15 HA ASP 15 6.260 0.395 5.414 100 1HB ASP 15 2HB ASP 15 6.086 1.299 7.677 101 2HB ASP 15 1HB ASP 15 6.603 2.882 7.106 102 H LEU 16 H LEU 16 5.362 1.011 3.566 103 HA LEU 16 HA LEU 16 6.604 3.141 2.021 104 1HB LEU 16 2HB LEU 16 5.046 0.747 1.481 105 2HB LEU 16 1HB LEU 16 4.400 2.118 0.611 106 HG LEU 16 HG LEU 16 6.012 2.017 -0.935 107 1HD1 LEU 16 1HD1 LEU 16 8.444 1.681 -0.392 108 2HD1 LEU 16 2HD1 LEU 16 7.988 1.708 1.309 109 3HD1 LEU 16 3HD1 LEU 16 7.697 3.122 0.295 110 1HD2 LEU 16 1HD2 LEU 16 5.618 -0.261 -1.028 111 2HD2 LEU 16 2HD2 LEU 16 6.406 -0.562 0.521 112 3HD2 LEU 16 3HD2 LEU 16 7.375 -0.168 -0.900 113 H ASP 17 H ASP 17 5.939 5.146 2.569 114 HA ASP 17 HA ASP 17 3.201 5.584 3.418 115 1HB ASP 17 2HB ASP 17 5.672 7.284 3.371 116 2HB ASP 17 1HB ASP 17 4.087 8.008 3.627 117 H ILE 18 H ILE 18 1.624 6.285 2.204 118 HA ILE 18 HA ILE 18 2.029 6.898 -0.578 119 HB ILE 18 HB ILE 18 -0.489 6.952 1.079 120 1HG1 ILE 18 2HG1 ILE 18 0.953 4.789 -0.386 121 2HG1 ILE 18 1HG1 ILE 18 0.155 4.724 1.172 122 1HG2 ILE 18 1HG2 ILE 18 -0.306 6.681 -1.905 123 2HG2 ILE 18 2HG2 ILE 18 -0.478 8.244 -1.106 124 3HG2 ILE 18 3HG2 ILE 18 -1.728 7.014 -0.917 125 1HD1 ILE 18 1HD1 ILE 18 -1.117 4.671 -1.530 126 2HD1 ILE 18 2HD1 ILE 18 -2.025 4.950 -0.042 127 3HD1 ILE 18 3HD1 ILE 18 -1.154 3.433 -0.272 128 HA PRO 19 HA PRO 19 2.504 11.302 0.229 129 1HB PRO 19 2HB PRO 19 2.055 11.477 -2.695 130 2HB PRO 19 1HB PRO 19 3.393 12.095 -1.722 131 1HG PRO 19 2HG PRO 19 3.718 9.963 -3.290 132 2HG PRO 19 1HG PRO 19 4.491 10.052 -1.696 133 1HD PRO 19 2HD PRO 19 2.042 8.551 -2.535 134 2HD PRO 19 1HD PRO 19 3.355 8.046 -1.453 135 H ASN 20 H ASN 20 1.030 12.720 0.816 136 HA ASN 20 HA ASN 20 -1.031 13.619 1.233 137 1HB ASN 20 2HB ASN 20 -0.538 13.837 -1.696 138 2HB ASN 20 1HB ASN 20 -2.112 14.334 -1.081 139 1HD2 ASN 20 1HD2 ASN 20 -1.827 15.666 1.062 140 2HD2 ASN 20 2HD2 ASN 20 -0.703 16.972 0.936 141 H PHE 21 H PHE 21 -1.690 11.272 1.893 142 HA PHE 21 HA PHE 21 -4.219 10.734 0.562 143 1HB PHE 21 2HB PHE 21 -3.027 9.074 -0.495 144 2HB PHE 21 1HB PHE 21 -1.933 8.838 0.859 145 HD1 PHE 21 1HD PHE 21 -2.164 6.951 2.104 146 HD2 PHE 21 2HD PHE 21 -5.529 8.432 -0.009 147 HE1 PHE 21 1HE PHE 21 -3.466 4.995 2.841 148 HE2 PHE 21 2HE PHE 21 -6.852 6.483 0.726 149 HZ PHE 21 HZ PHE 21 -5.819 4.761 2.148 150 H GLN 22 H GLN 22 -5.769 9.709 1.903 151 HA GLN 22 HA GLN 22 -5.057 9.334 4.714 152 1HB GLN 22 2HB GLN 22 -6.923 11.389 3.630 153 2HB GLN 22 1HB GLN 22 -7.368 10.585 5.129 154 1HG GLN 22 2HG GLN 22 -4.847 11.221 5.728 155 2HG GLN 22 1HG GLN 22 -5.200 12.510 4.577 156 1HE2 GLN 22 1HE2 GLN 22 -4.980 13.983 6.332 157 2HE2 GLN 22 2HE2 GLN 22 -6.278 14.216 7.449 158 H MET 23 H MET 23 -5.708 7.354 5.205 159 HA MET 23 HA MET 23 -7.784 6.031 3.714 160 1HB MET 23 2HB MET 23 -5.706 4.902 4.582 161 2HB MET 23 1HB MET 23 -6.377 5.051 6.200 162 1HG MET 23 2HG MET 23 -8.107 3.788 4.173 163 2HG MET 23 1HG MET 23 -6.677 2.883 4.667 164 1HE MET 23 1HE MET 23 -10.205 4.437 6.659 165 2HE MET 23 2HE MET 23 -10.582 2.758 6.273 166 3HE MET 23 3HE MET 23 -9.989 3.840 5.013 167 H THR 24 H THR 24 -9.585 7.382 4.213 168 HA THR 24 HA THR 24 -10.655 6.963 6.928 169 HB THR 24 HB THR 24 -12.097 9.073 5.998 170 HG1 THR 24 1HG THR 24 -9.463 9.458 5.029 171 1HG2 THR 24 1HG2 THR 24 -10.008 8.702 7.898 172 2HG2 THR 24 2HG2 THR 24 -11.312 9.890 7.890 173 3HG2 THR 24 3HG2 THR 24 -9.787 10.249 7.080 174 H ASP 25 H ASP 25 -13.232 7.590 6.659 175 HA ASP 25 HA ASP 25 -14.404 5.332 5.537 176 1HB ASP 25 2HB ASP 25 -15.516 8.004 6.359 177 2HB ASP 25 1HB ASP 25 -16.555 6.763 5.666 178 H ASP 26 H ASP 26 -13.643 8.420 4.108 179 HA ASP 26 HA ASP 26 -15.296 8.261 1.834 180 1HB ASP 26 2HB ASP 26 -13.837 10.231 2.789 181 2HB ASP 26 1HB ASP 26 -12.608 9.577 1.709 182 H ILE 27 H ILE 27 -12.256 6.767 2.628 183 HA ILE 27 HA ILE 27 -11.721 5.967 -0.095 184 HB ILE 27 HB ILE 27 -10.320 5.264 2.487 185 1HG1 ILE 27 2HG1 ILE 27 -10.085 7.618 2.056 186 2HG1 ILE 27 1HG1 ILE 27 -8.588 6.844 1.593 187 1HG2 ILE 27 1HG2 ILE 27 -9.950 3.561 0.794 188 2HG2 ILE 27 2HG2 ILE 27 -8.482 4.499 1.064 189 3HG2 ILE 27 3HG2 ILE 27 -9.468 4.798 -0.366 190 1HD1 ILE 27 1HD1 ILE 27 -9.850 6.797 -0.766 191 2HD1 ILE 27 2HD1 ILE 27 -8.832 8.135 -0.229 192 3HD1 ILE 27 3HD1 ILE 27 -10.585 8.234 -0.054 193 H ASP 28 H ASP 28 -12.451 4.025 -0.975 194 HA ASP 28 HA ASP 28 -13.568 2.061 0.896 195 1HB ASP 28 2HB ASP 28 -14.731 3.336 -1.323 196 2HB ASP 28 1HB ASP 28 -14.447 1.670 -1.820 197 H GLU 29 H GLU 29 -11.677 2.378 -2.136 198 HA GLU 29 HA GLU 29 -10.752 -0.380 -1.612 199 1HB GLU 29 2HB GLU 29 -12.276 -0.169 -3.584 200 2HB GLU 29 1HB GLU 29 -11.081 0.868 -4.339 201 1HG GLU 29 2HG GLU 29 -9.484 -0.926 -4.398 202 2HG GLU 29 1HG GLU 29 -10.582 -1.974 -3.500 203 H VAL 30 H VAL 30 -8.666 -0.476 -1.113 204 HA VAL 30 HA VAL 30 -6.807 1.449 -2.364 205 HB VAL 30 HB VAL 30 -6.430 0.258 0.398 206 1HG1 VAL 30 1HG1 VAL 30 -4.315 0.789 -0.246 207 2HG1 VAL 30 2HG1 VAL 30 -4.827 2.356 0.383 208 3HG1 VAL 30 3HG1 VAL 30 -4.847 2.054 -1.354 209 1HG2 VAL 30 1HG2 VAL 30 -6.766 2.860 0.900 210 2HG2 VAL 30 2HG2 VAL 30 -8.101 1.707 0.919 211 3HG2 VAL 30 3HG2 VAL 30 -7.824 2.712 -0.504 212 H ARG 31 H ARG 31 -5.526 0.401 -3.771 213 HA ARG 31 HA ARG 31 -4.783 -2.381 -3.150 214 1HB ARG 31 2HB ARG 31 -4.368 -2.490 -5.687 215 2HB ARG 31 1HB ARG 31 -6.030 -2.501 -5.111 216 1HG ARG 31 2HG ARG 31 -6.318 -0.202 -5.690 217 2HG ARG 31 1HG ARG 31 -4.602 -0.030 -6.066 218 1HD ARG 31 2HD ARG 31 -6.152 -0.287 -8.045 219 2HD ARG 31 1HD ARG 31 -4.786 -1.399 -7.981 220 HE ARG 31 HE ARG 31 -7.127 -2.498 -6.775 221 1HH1 ARG 31 1HH1 ARG 31 -5.564 -1.908 -9.839 222 2HH1 ARG 31 2HH1 ARG 31 -6.371 -3.211 -10.643 223 1HH2 ARG 31 1HH2 ARG 31 -8.190 -4.213 -7.832 224 2HH2 ARG 31 2HH2 ARG 31 -7.862 -4.520 -9.505 225 H TRP 32 H TRP 32 -2.731 -3.008 -3.157 226 HA TRP 32 HA TRP 32 -0.663 -0.979 -3.705 227 1HB TRP 32 2HB TRP 32 -0.789 -3.221 -1.694 228 2HB TRP 32 1HB TRP 32 0.747 -2.527 -2.188 229 HD1 TRP 32 HD TRP 32 -2.414 -1.681 -0.177 230 HE1 TRP 32 1HE TRP 32 -1.919 0.379 1.280 231 HE3 TRP 32 3HE TRP 32 2.183 -0.448 -2.043 232 HZ2 TRP 32 2HZ TRP 32 0.145 2.283 1.596 233 HZ3 TRP 32 3HZ TRP 32 3.349 1.510 -1.112 234 HH2 TRP 32 HH TRP 32 2.348 2.844 0.669 235 H GLU 33 H GLU 33 -0.597 -1.547 -5.926 236 HA GLU 33 HA GLU 33 0.164 -4.299 -6.549 237 1HB GLU 33 2HB GLU 33 -0.517 -2.019 -8.409 238 2HB GLU 33 1HB GLU 33 -0.235 -3.686 -8.886 239 1HG GLU 33 2HG GLU 33 -2.212 -4.430 -7.879 240 2HG GLU 33 1HG GLU 33 -2.392 -2.947 -6.943 241 H ARG 34 H ARG 34 2.016 -4.901 -7.522 242 HA ARG 34 HA ARG 34 4.067 -2.861 -8.020 243 1HB ARG 34 2HB ARG 34 4.221 -4.258 -5.771 244 2HB ARG 34 1HB ARG 34 4.877 -5.487 -6.843 245 1HG ARG 34 2HG ARG 34 6.344 -3.378 -7.619 246 2HG ARG 34 1HG ARG 34 6.046 -2.941 -5.935 247 1HD ARG 34 2HD ARG 34 7.339 -4.609 -5.140 248 2HD ARG 34 1HD ARG 34 6.826 -5.741 -6.391 249 HE ARG 34 HE ARG 34 9.143 -4.050 -6.430 250 1HH1 ARG 34 1HH1 ARG 34 6.821 -5.740 -8.413 251 2HH1 ARG 34 2HH1 ARG 34 7.884 -5.856 -9.775 252 1HH2 ARG 34 1HH2 ARG 34 10.542 -4.203 -8.221 253 2HH2 ARG 34 2HH2 ARG 34 9.996 -4.984 -9.667 254 H GLY 35 H GLY 35 4.689 -3.028 -10.086 255 1HA GLY 35 2HA GLY 35 5.136 -3.939 -12.156 256 2HA GLY 35 1HA GLY 35 5.597 -5.391 -11.285 257 H SER 36 H SER 36 4.472 -7.126 -11.712 258 HA SER 36 HA SER 36 1.718 -6.825 -12.720 259 1HB SER 36 2HB SER 36 3.957 -8.597 -13.629 260 2HB SER 36 1HB SER 36 2.292 -9.148 -13.814 261 HG SER 36 HG SER 36 2.037 -7.788 -15.393 262 H THR 37 H THR 37 2.144 -6.988 -10.006 263 HA THR 37 HA THR 37 0.777 -9.467 -9.385 264 HB THR 37 HB THR 37 3.475 -8.800 -8.198 265 HG1 THR 37 1HG THR 37 3.994 -10.022 -9.831 266 1HG2 THR 37 1HG2 THR 37 2.121 -9.630 -6.400 267 2HG2 THR 37 2HG2 THR 37 3.247 -10.889 -6.912 268 3HG2 THR 37 3HG2 THR 37 1.553 -10.972 -7.397 269 H LEU 38 H LEU 38 -0.058 -9.513 -7.175 270 HA LEU 38 HA LEU 38 -0.621 -6.797 -6.199 271 1HB LEU 38 2HB LEU 38 -2.114 -9.320 -6.229 272 2HB LEU 38 1HB LEU 38 -2.135 -8.529 -4.674 273 HG LEU 38 HG LEU 38 -3.152 -7.411 -7.282 274 1HD1 LEU 38 1HD1 LEU 38 -5.075 -8.274 -6.600 275 2HD1 LEU 38 2HD1 LEU 38 -4.999 -7.262 -5.157 276 3HD1 LEU 38 3HD1 LEU 38 -4.311 -8.888 -5.132 277 1HD2 LEU 38 1HD2 LEU 38 -3.857 -5.482 -5.770 278 2HD2 LEU 38 2HD2 LEU 38 -2.159 -5.551 -6.243 279 3HD2 LEU 38 3HD2 LEU 38 -2.648 -6.082 -4.633 280 H VAL 39 H VAL 39 -0.310 -6.234 -4.044 281 HA VAL 39 HA VAL 39 1.421 -8.069 -2.530 282 HB VAL 39 HB VAL 39 1.530 -5.058 -2.730 283 1HG1 VAL 39 1HG1 VAL 39 1.800 -5.652 -0.407 284 2HG1 VAL 39 2HG1 VAL 39 3.356 -5.161 -1.077 285 3HG1 VAL 39 3HG1 VAL 39 3.003 -6.872 -0.824 286 1HG2 VAL 39 1HG2 VAL 39 3.942 -6.735 -3.045 287 2HG2 VAL 39 2HG2 VAL 39 3.416 -5.328 -3.970 288 3HG2 VAL 39 3HG2 VAL 39 2.721 -6.916 -4.305 289 H ALA 40 H ALA 40 -1.008 -5.513 -2.334 290 HA ALA 40 HA ALA 40 -2.429 -6.794 -0.250 291 1HB ALA 40 1HB ALA 40 -0.463 -5.984 1.041 292 2HB ALA 40 2HB ALA 40 -2.002 -5.331 1.603 293 3HB ALA 40 3HB ALA 40 -0.926 -4.333 0.626 294 H GLU 41 H GLU 41 -4.441 -6.296 -0.841 295 HA GLU 41 HA GLU 41 -5.034 -3.491 -1.478 296 1HB GLU 41 2HB GLU 41 -6.170 -4.026 -3.370 297 2HB GLU 41 1HB GLU 41 -5.089 -5.412 -3.350 298 1HG GLU 41 2HG GLU 41 -7.030 -6.461 -1.913 299 2HG GLU 41 1HG GLU 41 -7.986 -5.256 -2.761 300 H PHE 42 H PHE 42 -7.201 -2.808 -1.015 301 HA PHE 42 HA PHE 42 -8.577 -4.398 1.025 302 1HB PHE 42 2HB PHE 42 -7.344 -2.609 2.098 303 2HB PHE 42 1HB PHE 42 -8.036 -1.425 1.004 304 HD1 PHE 42 1HD PHE 42 -8.552 -3.362 4.023 305 HD2 PHE 42 2HD PHE 42 -10.413 -0.838 1.147 306 HE1 PHE 42 1HE PHE 42 -10.428 -2.985 5.571 307 HE2 PHE 42 2HE PHE 42 -12.289 -0.456 2.684 308 HZ PHE 42 HZ PHE 42 -12.301 -1.530 4.904 309 H LYS 43 H LYS 43 -10.797 -4.369 0.968 310 HA LYS 43 HA LYS 43 -12.164 -2.592 -0.892 311 1HB LYS 43 2HB LYS 43 -11.431 -5.002 -1.854 312 2HB LYS 43 1HB LYS 43 -12.965 -5.438 -1.112 313 1HG LYS 43 2HG LYS 43 -14.180 -4.313 -2.641 314 2HG LYS 43 1HG LYS 43 -12.990 -3.020 -2.797 315 1HD LYS 43 2HD LYS 43 -12.568 -3.961 -4.796 316 2HD LYS 43 1HD LYS 43 -11.629 -5.120 -3.854 317 1HE LYS 43 2HE LYS 43 -13.612 -6.576 -3.716 318 2HE LYS 43 1HE LYS 43 -14.503 -5.429 -4.715 319 1HZ LYS 43 1HZ LYS 43 -12.100 -6.976 -5.521 320 2HZ LYS 43 2HZ LYS 43 -12.847 -5.798 -6.478 321 3HZ LYS 43 3HZ LYS 43 -13.683 -7.212 -6.072 322 H ARG 44 H ARG 44 -13.696 -1.701 0.324 323 HA ARG 44 HA ARG 44 -14.628 -2.601 2.743 324 1HB ARG 44 2HB ARG 44 -14.986 -0.324 2.055 325 2HB ARG 44 1HB ARG 44 -16.011 -0.854 0.731 326 1HG ARG 44 2HG ARG 44 -17.732 -1.527 2.221 327 2HG ARG 44 1HG ARG 44 -16.677 -1.337 3.623 328 1HD ARG 44 2HD ARG 44 -17.563 0.899 1.803 329 2HD ARG 44 1HD ARG 44 -18.290 0.518 3.363 330 HE ARG 44 HE ARG 44 -15.455 0.979 3.486 331 1HH1 ARG 44 1HH1 ARG 44 -18.605 2.480 3.554 332 2HH1 ARG 44 2HH1 ARG 44 -18.059 3.876 4.421 333 1HH2 ARG 44 1HH2 ARG 44 -14.736 2.815 4.627 334 2HH2 ARG 44 2HH2 ARG 44 -15.863 4.067 5.029 335 H LYS 45 H LYS 45 -16.325 -2.795 -0.258 336 HA LYS 45 HA LYS 45 -18.222 -4.711 0.776 337 1HB LYS 45 2HB LYS 45 -17.887 -3.228 -1.795 338 2HB LYS 45 1HB LYS 45 -18.873 -4.684 -1.789 339 1HG LYS 45 2HG LYS 45 -20.478 -3.759 -0.424 340 2HG LYS 45 1HG LYS 45 -19.366 -2.567 0.253 341 1HD LYS 45 2HD LYS 45 -19.833 -2.366 -2.649 342 2HD LYS 45 1HD LYS 45 -21.229 -2.010 -1.628 343 1HE LYS 45 2HE LYS 45 -18.559 -0.782 -1.051 344 2HE LYS 45 1HE LYS 45 -19.616 -0.092 -2.281 345 1HZ LYS 45 1HZ LYS 45 -21.093 0.622 -0.745 346 2HZ LYS 45 2HZ LYS 45 -19.722 0.634 0.246 347 3HZ LYS 45 3HZ LYS 45 -20.807 -0.661 0.319 348 H MET 46 H MET 46 -15.732 -5.787 1.016 349 HA MET 46 HA MET 46 -15.956 -8.280 -0.170 350 1HB MET 46 2HB MET 46 -14.793 -6.301 -1.905 351 2HB MET 46 1HB MET 46 -13.599 -7.532 -1.522 352 1HG MET 46 2HG MET 46 -16.246 -8.567 -2.215 353 2HG MET 46 1HG MET 46 -15.427 -7.701 -3.512 354 1HE MET 46 1HE MET 46 -13.104 -8.603 -4.679 355 2HE MET 46 2HE MET 46 -12.052 -9.686 -3.767 356 3HE MET 46 3HE MET 46 -12.508 -8.122 -3.090 357 H LYS 47 H LYS 47 -13.446 -9.235 -0.312 358 HA LYS 47 HA LYS 47 -12.362 -8.630 2.353 359 1HB LYS 47 2HB LYS 47 -12.271 -11.141 0.682 360 2HB LYS 47 1HB LYS 47 -11.301 -10.922 2.132 361 1HG LYS 47 2HG LYS 47 -14.201 -10.427 2.395 362 2HG LYS 47 1HG LYS 47 -13.695 -12.098 2.138 363 1HD LYS 47 2HD LYS 47 -11.923 -11.346 4.026 364 2HD LYS 47 1HD LYS 47 -13.298 -10.329 4.464 365 1HE LYS 47 2HE LYS 47 -14.563 -12.088 5.112 366 2HE LYS 47 1HE LYS 47 -13.913 -13.151 3.866 367 1HZ LYS 47 1HZ LYS 47 -12.968 -14.083 5.688 368 2HZ LYS 47 2HZ LYS 47 -12.935 -12.641 6.570 369 3HZ LYS 47 3HZ LYS 47 -11.777 -12.924 5.372 370 HA PRO 48 HA PRO 48 -8.709 -7.062 0.398 371 1HB PRO 48 2HB PRO 48 -6.978 -7.226 2.475 372 2HB PRO 48 1HB PRO 48 -8.263 -6.015 2.395 373 1HG PRO 48 2HG PRO 48 -8.189 -8.605 3.893 374 2HG PRO 48 1HG PRO 48 -8.786 -7.020 4.422 375 1HD PRO 48 2HD PRO 48 -10.429 -9.008 3.567 376 2HD PRO 48 1HD PRO 48 -10.807 -7.286 3.357 377 H PHE 49 H PHE 49 -6.684 -7.711 -0.404 378 HA PHE 49 HA PHE 49 -6.183 -10.607 -0.222 379 1HB PHE 49 2HB PHE 49 -6.759 -10.086 -2.471 380 2HB PHE 49 1HB PHE 49 -5.730 -8.658 -2.483 381 HD1 PHE 49 1HD PHE 49 -5.793 -12.321 -2.650 382 HD2 PHE 49 2HD PHE 49 -3.362 -8.829 -2.871 383 HE1 PHE 49 1HE PHE 49 -3.955 -13.660 -3.587 384 HE2 PHE 49 2HE PHE 49 -1.530 -10.160 -3.811 385 HZ PHE 49 HZ PHE 49 -1.817 -12.580 -4.167 386 H LEU 50 H LEU 50 -4.626 -10.877 1.274 387 HA LEU 50 HA LEU 50 -2.346 -9.060 1.325 388 1HB LEU 50 2HB LEU 50 -3.601 -10.959 3.211 389 2HB LEU 50 1HB LEU 50 -1.853 -10.868 3.290 390 HG LEU 50 HG LEU 50 -3.791 -8.591 3.690 391 1HD1 LEU 50 1HD1 LEU 50 -2.591 -8.578 5.947 392 2HD1 LEU 50 2HD1 LEU 50 -2.041 -10.198 5.520 393 3HD1 LEU 50 3HD1 LEU 50 -3.766 -9.859 5.653 394 1HD2 LEU 50 1HD2 LEU 50 -0.903 -8.646 3.118 395 2HD2 LEU 50 2HD2 LEU 50 -1.407 -7.606 4.453 396 3HD2 LEU 50 3HD2 LEU 50 -2.096 -7.377 2.844 397 H LYS 51 H LYS 51 -0.695 -9.553 -0.005 398 HA LYS 51 HA LYS 51 -0.307 -11.866 -1.422 399 1HB LYS 51 2HB LYS 51 0.919 -9.819 -1.889 400 2HB LYS 51 1HB LYS 51 1.809 -9.975 -0.383 401 1HG LYS 51 2HG LYS 51 3.143 -11.656 -1.183 402 2HG LYS 51 1HG LYS 51 1.946 -12.189 -2.366 403 1HD LYS 51 2HD LYS 51 2.632 -10.701 -3.928 404 2HD LYS 51 1HD LYS 51 3.005 -9.458 -2.732 405 1HE LYS 51 2HE LYS 51 4.981 -10.408 -3.974 406 2HE LYS 51 1HE LYS 51 5.090 -10.450 -2.214 407 1HZ LYS 51 1HZ LYS 51 4.010 -12.790 -3.617 408 2HZ LYS 51 2HZ LYS 51 4.871 -12.710 -2.165 409 3HZ LYS 51 3HZ LYS 51 5.682 -12.537 -3.638 410 H SER 52 H SER 52 1.086 -11.078 1.757 411 HA SER 52 HA SER 52 1.025 -13.755 2.638 412 1HB SER 52 2HB SER 52 3.131 -13.368 0.926 413 2HB SER 52 1HB SER 52 3.879 -13.059 2.492 414 HG SER 52 HG SER 52 3.605 -15.359 1.522 415 H GLY 53 H GLY 53 2.199 -14.035 4.732 416 1HA GLY 53 2HA GLY 53 1.491 -12.049 6.525 417 2HA GLY 53 1HA GLY 53 2.623 -13.324 6.928 418 H ALA 54 H ALA 54 4.189 -11.954 4.427 419 HA ALA 54 HA ALA 54 5.961 -10.526 6.139 420 1HB ALA 54 1HB ALA 54 6.247 -10.146 3.238 421 2HB ALA 54 2HB ALA 54 6.283 -11.818 3.797 422 3HB ALA 54 3HB ALA 54 7.434 -10.648 4.442 423 H PHE 55 H PHE 55 3.059 -9.578 4.977 424 HA PHE 55 HA PHE 55 3.857 -6.753 5.037 425 1HB PHE 55 2HB PHE 55 1.795 -7.916 3.161 426 2HB PHE 55 1HB PHE 55 2.246 -6.226 3.282 427 HD1 PHE 55 1HD PHE 55 2.890 -9.316 1.666 428 HD2 PHE 55 2HD PHE 55 4.675 -5.624 2.780 429 HE1 PHE 55 1HE PHE 55 4.626 -9.646 -0.047 430 HE2 PHE 55 2HE PHE 55 6.411 -5.936 1.067 431 HZ PHE 55 HZ PHE 55 6.391 -7.953 -0.350 432 H GLU 56 H GLU 56 2.157 -5.288 5.654 433 HA GLU 56 HA GLU 56 -0.252 -6.396 6.814 434 1HB GLU 56 2HB GLU 56 2.033 -5.383 8.442 435 2HB GLU 56 1HB GLU 56 0.406 -4.977 8.970 436 1HG GLU 56 2HG GLU 56 -0.155 -7.379 8.979 437 2HG GLU 56 1HG GLU 56 1.515 -7.742 8.546 438 H ILE 57 H ILE 57 -1.862 -5.049 6.382 439 HA ILE 57 HA ILE 57 -1.278 -2.384 5.418 440 HB ILE 57 HB ILE 57 -2.940 -3.830 4.275 441 1HG1 ILE 57 2HG1 ILE 57 -4.517 -1.496 5.227 442 2HG1 ILE 57 1HG1 ILE 57 -2.940 -1.166 4.517 443 1HG2 ILE 57 1HG2 ILE 57 -4.690 -4.764 5.288 444 2HG2 ILE 57 2HG2 ILE 57 -5.139 -3.256 6.082 445 3HG2 ILE 57 3HG2 ILE 57 -3.926 -4.307 6.809 446 1HD1 ILE 57 1HD1 ILE 57 -3.570 -2.100 2.449 447 2HD1 ILE 57 2HD1 ILE 57 -4.920 -1.084 2.960 448 3HD1 ILE 57 3HD1 ILE 57 -5.017 -2.836 3.138 449 H LEU 58 H LEU 58 -0.841 -0.933 6.956 450 HA LEU 58 HA LEU 58 -1.874 -0.947 9.569 451 1HB LEU 58 2HB LEU 58 -0.175 0.759 7.948 452 2HB LEU 58 1HB LEU 58 -1.205 1.701 9.009 453 HG LEU 58 HG LEU 58 -0.304 0.653 10.958 454 1HD1 LEU 58 1HD1 LEU 58 1.483 -1.083 10.752 455 2HD1 LEU 58 2HD1 LEU 58 1.079 -1.211 9.040 456 3HD1 LEU 58 3HD1 LEU 58 -0.124 -1.620 10.264 457 1HD2 LEU 58 1HD2 LEU 58 1.551 1.738 8.931 458 2HD2 LEU 58 2HD2 LEU 58 2.280 0.945 10.327 459 3HD2 LEU 58 3HD2 LEU 58 1.185 2.308 10.559 460 H ALA 59 H ALA 59 -3.056 1.073 10.457 461 HA ALA 59 HA ALA 59 -5.658 1.093 9.300 462 1HB ALA 59 1HB ALA 59 -5.868 1.343 11.543 463 2HB ALA 59 2HB ALA 59 -5.840 3.052 11.106 464 3HB ALA 59 3HB ALA 59 -4.374 2.267 11.692 465 H ASN 60 H ASN 60 -3.071 3.511 9.555 466 HA ASN 60 HA ASN 60 -4.418 5.660 8.402 467 1HB ASN 60 2HB ASN 60 -2.117 6.489 7.793 468 2HB ASN 60 1HB ASN 60 -2.326 6.056 9.486 469 1HD2 ASN 60 1HD2 ASN 60 -1.347 4.177 10.276 470 2HD2 ASN 60 2HD2 ASN 60 -0.042 3.416 9.440 471 H GLY 61 H GLY 61 -3.187 2.783 6.951 472 1HA GLY 61 2HA GLY 61 -3.957 2.112 4.787 473 2HA GLY 61 1HA GLY 61 -4.038 3.807 4.330 474 H ASP 62 H ASP 62 -1.318 2.280 5.962 475 HA ASP 62 HA ASP 62 0.290 2.753 3.538 476 1HB ASP 62 2HB ASP 62 0.903 3.136 6.448 477 2HB ASP 62 1HB ASP 62 2.212 2.817 5.315 478 H LEU 63 H LEU 63 2.045 1.297 3.119 479 HA LEU 63 HA LEU 63 1.333 -1.474 3.759 480 1HB LEU 63 2HB LEU 63 2.023 -0.629 1.467 481 2HB LEU 63 1HB LEU 63 3.650 -0.473 2.100 482 HG LEU 63 HG LEU 63 3.409 -2.986 2.700 483 1HD1 LEU 63 1HD1 LEU 63 0.918 -2.874 2.070 484 2HD1 LEU 63 2HD1 LEU 63 1.860 -4.261 1.517 485 3HD1 LEU 63 3HD1 LEU 63 1.488 -2.943 0.402 486 1HD2 LEU 63 1HD2 LEU 63 5.029 -2.516 1.141 487 2HD2 LEU 63 2HD2 LEU 63 3.897 -1.729 0.043 488 3HD2 LEU 63 3HD2 LEU 63 3.913 -3.486 0.181 489 H LYS 64 H LYS 64 2.212 -2.586 5.397 490 HA LYS 64 HA LYS 64 4.700 -1.575 6.590 491 1HB LYS 64 2HB LYS 64 2.765 -1.698 8.096 492 2HB LYS 64 1HB LYS 64 2.602 -3.415 7.754 493 1HG LYS 64 2HG LYS 64 3.781 -3.627 9.652 494 2HG LYS 64 1HG LYS 64 5.159 -3.347 8.583 495 1HD LYS 64 2HD LYS 64 3.777 -0.985 9.752 496 2HD LYS 64 1HD LYS 64 4.819 -1.949 10.803 497 1HE LYS 64 2HE LYS 64 5.658 -0.774 8.155 498 2HE LYS 64 1HE LYS 64 5.986 -0.043 9.725 499 1HZ LYS 64 1HZ LYS 64 7.906 -1.239 9.122 500 2HZ LYS 64 2HZ LYS 64 7.024 -2.608 8.668 501 3HZ LYS 64 3HZ LYS 64 7.139 -2.181 10.300 502 H ILE 65 H ILE 65 6.432 -2.573 5.781 503 HA ILE 65 HA ILE 65 6.289 -5.369 4.972 504 HB ILE 65 HB ILE 65 8.785 -3.699 4.895 505 1HG1 ILE 65 2HG1 ILE 65 6.478 -3.636 2.933 506 2HG1 ILE 65 1HG1 ILE 65 7.124 -2.287 3.858 507 1HG2 ILE 65 1HG2 ILE 65 8.604 -5.238 2.613 508 2HG2 ILE 65 2HG2 ILE 65 7.900 -6.265 3.861 509 3HG2 ILE 65 3HG2 ILE 65 9.531 -5.625 4.061 510 1HD1 ILE 65 1HD1 ILE 65 9.281 -3.298 2.394 511 2HD1 ILE 65 2HD1 ILE 65 8.401 -1.793 2.126 512 3HD1 ILE 65 3HD1 ILE 65 7.910 -3.264 1.284 513 H LYS 66 H LYS 66 7.119 -7.040 6.111 514 HA LYS 66 HA LYS 66 8.020 -6.538 8.796 515 1HB LYS 66 2HB LYS 66 6.484 -8.379 8.358 516 2HB LYS 66 1HB LYS 66 7.665 -9.128 7.292 517 1HG LYS 66 2HG LYS 66 8.542 -8.570 10.058 518 2HG LYS 66 1HG LYS 66 7.336 -9.840 9.841 519 1HD LYS 66 2HD LYS 66 8.950 -10.661 7.963 520 2HD LYS 66 1HD LYS 66 10.147 -9.696 8.829 521 1HE LYS 66 2HE LYS 66 8.512 -11.981 9.922 522 2HE LYS 66 1HE LYS 66 10.249 -11.967 9.618 523 1HZ LYS 66 1HZ LYS 66 10.038 -9.899 11.261 524 2HZ LYS 66 2HZ LYS 66 10.302 -11.478 11.803 525 3HZ LYS 66 3HZ LYS 66 8.741 -10.826 11.827 526 H ASN 67 H ASN 67 9.409 -7.983 5.913 527 HA ASN 67 HA ASN 67 12.072 -7.301 6.852 528 1HB ASN 67 2HB ASN 67 11.034 -9.979 6.942 529 2HB ASN 67 1HB ASN 67 12.334 -9.902 5.757 530 1HD2 ASN 67 1HD2 ASN 67 13.981 -10.841 6.772 531 2HD2 ASN 67 2HD2 ASN 67 14.620 -10.349 8.299 532 H LEU 68 H LEU 68 12.849 -6.129 5.235 533 HA LEU 68 HA LEU 68 11.876 -6.025 2.657 534 1HB LEU 68 2HB LEU 68 14.512 -5.273 3.864 535 2HB LEU 68 1HB LEU 68 14.203 -5.044 2.152 536 HG LEU 68 HG LEU 68 12.181 -3.973 4.020 537 1HD1 LEU 68 1HD1 LEU 68 14.896 -2.715 3.600 538 2HD1 LEU 68 2HD1 LEU 68 14.204 -3.321 5.167 539 3HD1 LEU 68 3HD1 LEU 68 13.494 -1.917 4.375 540 1HD2 LEU 68 1HD2 LEU 68 12.968 -3.677 1.292 541 2HD2 LEU 68 2HD2 LEU 68 12.994 -2.107 2.092 542 3HD2 LEU 68 3HD2 LEU 68 11.526 -3.083 2.108 543 H THR 69 H THR 69 12.607 -6.765 0.677 544 HA THR 69 HA THR 69 14.624 -8.850 0.578 545 HB THR 69 HB THR 69 12.914 -10.330 -0.692 546 HG1 THR 69 1HG THR 69 11.138 -8.861 0.955 547 1HG2 THR 69 1HG2 THR 69 12.108 -11.382 1.381 548 2HG2 THR 69 2HG2 THR 69 12.757 -10.019 2.293 549 3HG2 THR 69 3HG2 THR 69 13.844 -11.073 1.389 550 H ARG 70 H ARG 70 15.172 -9.495 -1.606 551 HA ARG 70 HA ARG 70 15.562 -7.391 -3.352 552 1HB ARG 70 2HB ARG 70 15.643 -10.354 -3.622 553 2HB ARG 70 1HB ARG 70 15.660 -9.405 -5.102 554 1HG ARG 70 2HG ARG 70 17.623 -9.208 -2.829 555 2HG ARG 70 1HG ARG 70 17.913 -9.922 -4.416 556 1HD ARG 70 2HD ARG 70 17.061 -7.472 -5.144 557 2HD ARG 70 1HD ARG 70 17.811 -7.090 -3.594 558 HE ARG 70 HE ARG 70 19.658 -8.625 -4.892 559 1HH1 ARG 70 1HH1 ARG 70 17.962 -5.666 -5.630 560 2HH1 ARG 70 2HH1 ARG 70 19.244 -5.027 -6.602 561 1HH2 ARG 70 1HH2 ARG 70 21.347 -7.785 -6.170 562 2HH2 ARG 70 2HH2 ARG 70 21.166 -6.228 -6.909 563 H ASP 71 H ASP 71 13.130 -9.979 -3.749 564 HA ASP 71 HA ASP 71 11.862 -8.950 -5.981 565 1HB ASP 71 2HB ASP 71 9.879 -10.281 -5.081 566 2HB ASP 71 1HB ASP 71 11.361 -11.170 -5.378 567 H ASP 72 H ASP 72 11.779 -7.848 -2.715 568 HA ASP 72 HA ASP 72 9.310 -6.353 -3.119 569 1HB ASP 72 2HB ASP 72 10.887 -7.227 -0.808 570 2HB ASP 72 1HB ASP 72 10.279 -5.581 -0.664 571 H SER 73 H SER 73 12.068 -5.816 -4.415 572 HA SER 73 HA SER 73 12.312 -3.001 -3.587 573 1HB SER 73 2HB SER 73 14.292 -4.930 -3.789 574 2HB SER 73 1HB SER 73 14.459 -4.021 -5.291 575 HG SER 73 HG SER 73 15.264 -2.432 -4.191 576 H GLY 74 H GLY 74 12.374 -1.375 -5.167 577 1HA GLY 74 2HA GLY 74 12.620 -1.111 -7.703 578 2HA GLY 74 1HA GLY 74 11.277 -2.233 -7.766 579 H THR 75 H THR 75 9.304 -1.248 -8.059 580 HA THR 75 HA THR 75 8.872 1.380 -6.777 581 HB THR 75 HB THR 75 8.808 0.722 -9.684 582 HG1 THR 75 1HG THR 75 9.761 2.662 -9.814 583 1HG2 THR 75 1HG2 THR 75 6.923 2.731 -8.477 584 2HG2 THR 75 2HG2 THR 75 6.472 1.256 -9.332 585 3HG2 THR 75 3HG2 THR 75 7.291 2.558 -10.193 586 H TYR 76 H TYR 76 6.963 1.523 -5.785 587 HA TYR 76 HA TYR 76 4.991 -0.609 -6.245 588 1HB TYR 76 2HB TYR 76 5.552 1.170 -3.876 589 2HB TYR 76 1HB TYR 76 4.058 0.250 -4.011 590 HD1 TYR 76 1HD TYR 76 7.754 -0.245 -4.202 591 HD2 TYR 76 2HD TYR 76 3.986 -1.875 -3.085 592 HE1 TYR 76 1HE TYR 76 8.886 -2.204 -3.247 593 HE2 TYR 76 2HE TYR 76 5.117 -3.840 -2.124 594 HH TYR 76 HH TYR 76 8.528 -4.391 -2.550 595 H ASN 77 H ASN 77 2.754 -0.077 -6.401 596 HA ASN 77 HA ASN 77 2.185 2.744 -7.008 597 1HB ASN 77 2HB ASN 77 1.900 0.382 -8.767 598 2HB ASN 77 1HB ASN 77 0.546 1.507 -8.769 599 1HD2 ASN 77 1HD2 ASN 77 3.001 0.751 -10.552 600 2HD2 ASN 77 2HD2 ASN 77 3.539 2.297 -11.108 601 H VAL 78 H VAL 78 0.504 3.496 -5.897 602 HA VAL 78 HA VAL 78 -1.412 1.550 -4.802 603 HB VAL 78 HB VAL 78 -1.464 4.284 -3.692 604 1HG1 VAL 78 1HG1 VAL 78 -2.531 3.227 -2.060 605 2HG1 VAL 78 2HG1 VAL 78 -1.196 2.097 -1.830 606 3HG1 VAL 78 3HG1 VAL 78 -2.436 1.765 -3.037 607 1HG2 VAL 78 1HG2 VAL 78 0.957 2.537 -3.421 608 2HG2 VAL 78 2HG2 VAL 78 0.451 3.583 -2.091 609 3HG2 VAL 78 3HG2 VAL 78 0.855 4.282 -3.659 610 H THR 79 H THR 79 -3.457 1.608 -5.468 611 HA THR 79 HA THR 79 -4.386 3.995 -6.922 612 HB THR 79 HB THR 79 -5.957 1.602 -7.430 613 HG1 THR 79 1HG THR 79 -4.297 0.568 -8.666 614 1HG2 THR 79 1HG2 THR 79 -4.418 2.646 -9.650 615 2HG2 THR 79 2HG2 THR 79 -5.306 3.901 -8.785 616 3HG2 THR 79 3HG2 THR 79 -6.163 2.506 -9.443 617 H VAL 80 H VAL 80 -5.355 5.090 -5.308 618 HA VAL 80 HA VAL 80 -7.135 3.745 -3.449 619 HB VAL 80 HB VAL 80 -6.305 6.642 -3.691 620 1HG1 VAL 80 1HG1 VAL 80 -8.570 6.415 -2.735 621 2HG1 VAL 80 2HG1 VAL 80 -7.395 7.047 -1.582 622 3HG1 VAL 80 3HG1 VAL 80 -7.909 5.362 -1.486 623 1HG2 VAL 80 1HG2 VAL 80 -4.875 4.502 -2.707 624 2HG2 VAL 80 2HG2 VAL 80 -5.602 5.199 -1.260 625 3HG2 VAL 80 3HG2 VAL 80 -4.603 6.199 -2.313 626 H TYR 81 H TYR 81 -9.294 3.719 -3.545 627 HA TYR 81 HA TYR 81 -10.616 5.455 -5.514 628 1HB TYR 81 2HB TYR 81 -11.220 2.581 -4.892 629 2HB TYR 81 1HB TYR 81 -12.245 3.607 -5.859 630 HD1 TYR 81 1HD TYR 81 -11.378 4.508 -8.038 631 HD2 TYR 81 2HD TYR 81 -9.305 1.519 -5.830 632 HE1 TYR 81 1HE TYR 81 -10.082 3.930 -10.047 633 HE2 TYR 81 2HE TYR 81 -8.009 0.930 -7.834 634 HH TYR 81 HH TYR 81 -8.002 2.869 -10.656 635 H SER 82 H SER 82 -12.763 5.990 -5.086 636 HA SER 82 HA SER 82 -13.313 6.374 -2.264 637 1HB SER 82 2HB SER 82 -15.403 7.476 -3.803 638 2HB SER 82 1HB SER 82 -14.080 8.327 -3.009 639 HG SER 82 HG SER 82 -14.155 7.320 -5.658 640 H THR 83 H THR 83 -15.774 6.324 -1.727 641 HA THR 83 HA THR 83 -16.588 3.632 -1.737 642 HB THR 83 HB THR 83 -18.840 4.732 -0.979 643 HG1 THR 83 1HG THR 83 -18.684 6.840 -0.413 644 1HG2 THR 83 1HG2 THR 83 -16.323 5.108 0.624 645 2HG2 THR 83 2HG2 THR 83 -17.346 3.671 0.600 646 3HG2 THR 83 3HG2 THR 83 -17.967 5.185 1.256 647 H ASN 84 H ASN 84 -17.096 6.178 -4.002 648 HA ASN 84 HA ASN 84 -19.310 4.765 -5.285 649 1HB ASN 84 2HB ASN 84 -18.060 7.455 -5.877 650 2HB ASN 84 1HB ASN 84 -19.425 6.769 -6.754 651 1HD2 ASN 84 1HD2 ASN 84 -19.624 9.203 -5.532 652 2HD2 ASN 84 2HD2 ASN 84 -20.694 9.092 -4.182 653 H GLY 85 H GLY 85 -16.471 3.801 -5.264 654 1HA GLY 85 2HA GLY 85 -15.003 2.802 -6.716 655 2HA GLY 85 1HA GLY 85 -16.354 2.743 -7.838 656 H THR 86 H THR 86 -15.151 5.779 -6.628 657 HA THR 86 HA THR 86 -14.316 6.473 -9.346 658 HB THR 86 HB THR 86 -14.314 8.546 -7.236 659 HG1 THR 86 1HG THR 86 -16.714 7.341 -8.143 660 1HG2 THR 86 1HG2 THR 86 -14.941 8.340 -10.101 661 2HG2 THR 86 2HG2 THR 86 -14.165 9.637 -9.192 662 3HG2 THR 86 3HG2 THR 86 -15.920 9.475 -9.170 663 H ARG 87 H ARG 87 -12.342 7.688 -9.683 664 HA ARG 87 HA ARG 87 -10.148 6.558 -8.212 665 1HB ARG 87 2HB ARG 87 -9.719 8.778 -10.155 666 2HB ARG 87 1HB ARG 87 -8.784 7.310 -9.904 667 1HG ARG 87 2HG ARG 87 -9.720 6.602 -11.797 668 2HG ARG 87 1HG ARG 87 -11.166 6.327 -10.822 669 1HD ARG 87 2HD ARG 87 -11.558 8.892 -11.355 670 2HD ARG 87 1HD ARG 87 -10.550 8.505 -12.748 671 HE ARG 87 HE ARG 87 -12.443 6.539 -12.705 672 1HH1 ARG 87 1HH1 ARG 87 -12.522 10.027 -12.799 673 2HH1 ARG 87 2HH1 ARG 87 -14.011 10.094 -13.680 674 1HH2 ARG 87 1HH2 ARG 87 -14.402 6.626 -13.864 675 2HH2 ARG 87 2HH2 ARG 87 -15.079 8.163 -14.284 676 H ILE 88 H ILE 88 -9.601 7.328 -6.287 677 HA ILE 88 HA ILE 88 -10.029 10.143 -5.662 678 HB ILE 88 HB ILE 88 -9.222 7.814 -3.919 679 1HG1 ILE 88 2HG1 ILE 88 -11.575 7.855 -4.706 680 2HG1 ILE 88 1HG1 ILE 88 -11.439 8.046 -2.961 681 1HG2 ILE 88 1HG2 ILE 88 -8.341 9.347 -2.550 682 2HG2 ILE 88 2HG2 ILE 88 -10.006 9.834 -2.230 683 3HG2 ILE 88 3HG2 ILE 88 -9.057 10.686 -3.447 684 1HD1 ILE 88 1HD1 ILE 88 -12.763 9.808 -3.168 685 2HD1 ILE 88 2HD1 ILE 88 -12.611 9.801 -4.925 686 3HD1 ILE 88 3HD1 ILE 88 -11.411 10.637 -3.939 687 H LEU 89 H LEU 89 -7.363 7.767 -5.486 688 HA LEU 89 HA LEU 89 -5.485 9.878 -6.155 689 1HB LEU 89 2HB LEU 89 -5.446 10.170 -3.821 690 2HB LEU 89 1HB LEU 89 -5.501 8.446 -3.516 691 HG LEU 89 HG LEU 89 -3.117 9.432 -4.970 692 1HD1 LEU 89 1HD1 LEU 89 -3.819 10.262 -2.190 693 2HD1 LEU 89 2HD1 LEU 89 -3.030 11.180 -3.473 694 3HD1 LEU 89 3HD1 LEU 89 -2.139 9.927 -2.610 695 1HD2 LEU 89 1HD2 LEU 89 -2.972 7.741 -2.552 696 2HD2 LEU 89 2HD2 LEU 89 -2.144 7.583 -4.100 697 3HD2 LEU 89 3HD2 LEU 89 -3.820 7.059 -3.940 698 H ASN 90 H ASN 90 -3.499 9.157 -6.897 699 HA ASN 90 HA ASN 90 -3.042 6.280 -7.124 700 1HB ASN 90 2HB ASN 90 -4.127 7.734 -9.243 701 2HB ASN 90 1HB ASN 90 -2.409 7.651 -9.621 702 1HD2 ASN 90 1HD2 ASN 90 -1.840 5.169 -8.466 703 2HD2 ASN 90 2HD2 ASN 90 -2.624 3.942 -9.397 704 H LYS 91 H LYS 91 -1.120 6.122 -6.113 705 HA LYS 91 HA LYS 91 0.948 8.101 -6.838 706 1HB LYS 91 2HB LYS 91 0.535 6.728 -4.184 707 2HB LYS 91 1HB LYS 91 1.887 7.781 -4.570 708 1HG LYS 91 2HG LYS 91 -0.853 8.846 -4.955 709 2HG LYS 91 1HG LYS 91 -0.263 8.645 -3.304 710 1HD LYS 91 2HD LYS 91 0.491 10.760 -3.702 711 2HD LYS 91 1HD LYS 91 1.871 9.850 -4.325 712 1HE LYS 91 2HE LYS 91 0.282 9.957 -6.521 713 2HE LYS 91 1HE LYS 91 -0.119 11.487 -5.742 714 1HZ LYS 91 1HZ LYS 91 2.645 10.590 -6.353 715 2HZ LYS 91 2HZ LYS 91 2.184 12.101 -5.747 716 3HZ LYS 91 3HZ LYS 91 1.747 11.652 -7.318 717 H ALA 92 H ALA 92 3.131 7.424 -6.784 718 HA ALA 92 HA ALA 92 3.627 4.543 -6.883 719 1HB ALA 92 1HB ALA 92 4.353 4.489 -9.023 720 2HB ALA 92 2HB ALA 92 4.996 6.130 -8.958 721 3HB ALA 92 3HB ALA 92 3.269 5.869 -9.196 722 H LEU 93 H LEU 93 5.342 4.074 -5.648 723 HA LEU 93 HA LEU 93 7.368 6.177 -5.229 724 1HB LEU 93 2HB LEU 93 6.841 4.092 -3.157 725 2HB LEU 93 1HB LEU 93 7.516 5.699 -2.970 726 HG LEU 93 HG LEU 93 5.161 6.553 -3.565 727 1HD1 LEU 93 1HD1 LEU 93 4.722 3.638 -3.344 728 2HD1 LEU 93 2HD1 LEU 93 3.870 4.847 -4.304 729 3HD1 LEU 93 3HD1 LEU 93 3.527 4.686 -2.582 730 1HD2 LEU 93 1HD2 LEU 93 6.156 5.372 -1.048 731 2HD2 LEU 93 2HD2 LEU 93 4.435 5.754 -1.113 732 3HD2 LEU 93 3HD2 LEU 93 5.630 7.018 -1.403 733 H ASP 94 H ASP 94 9.504 5.355 -4.551 734 HA ASP 94 HA ASP 94 10.117 2.820 -5.918 735 1HB ASP 94 2HB ASP 94 11.550 5.429 -5.740 736 2HB ASP 94 1HB ASP 94 12.523 3.964 -5.824 737 H LEU 95 H LEU 95 11.095 1.222 -4.796 738 HA LEU 95 HA LEU 95 11.855 1.819 -2.011 739 1HB LEU 95 2HB LEU 95 9.948 0.314 -2.145 740 2HB LEU 95 1HB LEU 95 10.836 -0.762 -3.202 741 HG LEU 95 HG LEU 95 12.217 -1.541 -1.485 742 1HD1 LEU 95 1HD1 LEU 95 11.165 0.542 0.405 743 2HD1 LEU 95 2HD1 LEU 95 12.654 0.740 -0.520 744 3HD1 LEU 95 3HD1 LEU 95 12.509 -0.572 0.648 745 1HD2 LEU 95 1HD2 LEU 95 10.685 -2.728 -0.368 746 2HD2 LEU 95 2HD2 LEU 95 9.518 -1.842 -1.348 747 3HD2 LEU 95 3HD2 LEU 95 9.899 -1.289 0.281 748 H ARG 96 H ARG 96 14.040 2.170 -2.189 749 HA ARG 96 HA ARG 96 15.668 0.192 -3.592 750 1HB ARG 96 2HB ARG 96 17.122 2.374 -2.270 751 2HB ARG 96 1HB ARG 96 17.188 1.797 -3.922 752 1HG ARG 96 2HG ARG 96 15.108 3.663 -2.828 753 2HG ARG 96 1HG ARG 96 16.473 4.109 -3.846 754 1HD ARG 96 2HD ARG 96 13.962 2.680 -4.545 755 2HD ARG 96 1HD ARG 96 14.831 3.930 -5.433 756 HE ARG 96 HE ARG 96 15.145 1.109 -5.699 757 1HH1 ARG 96 1HH1 ARG 96 16.843 4.149 -5.923 758 2HH1 ARG 96 2HH1 ARG 96 18.021 3.552 -7.043 759 1HH2 ARG 96 1HH2 ARG 96 16.692 0.321 -7.174 760 2HH2 ARG 96 2HH2 ARG 96 17.935 1.380 -7.754 761 H ILE 97 H ILE 97 16.111 -1.545 -2.437 762 HA ILE 97 HA ILE 97 16.641 -1.255 0.438 763 HB ILE 97 HB ILE 97 16.257 -3.916 -0.863 764 1HG1 ILE 97 2HG1 ILE 97 13.891 -2.374 0.165 765 2HG1 ILE 97 1HG1 ILE 97 14.393 -2.203 -1.511 766 1HG2 ILE 97 1HG2 ILE 97 16.826 -3.207 1.662 767 2HG2 ILE 97 2HG2 ILE 97 15.936 -4.668 1.237 768 3HG2 ILE 97 3HG2 ILE 97 15.065 -3.220 1.741 769 1HD1 ILE 97 1HD1 ILE 97 13.651 -4.792 -0.173 770 2HD1 ILE 97 2HD1 ILE 97 14.101 -4.582 -1.864 771 3HD1 ILE 97 3HD1 ILE 97 12.618 -3.852 -1.249 772 H LEU 98 H LEU 98 18.741 -1.088 0.888 773 HA LEU 98 HA LEU 98 20.822 -1.989 -0.757 774 1HB LEU 98 2HB LEU 98 20.488 -0.748 1.894 775 2HB LEU 98 1HB LEU 98 21.950 -1.674 1.683 776 HG LEU 98 HG LEU 98 21.084 0.572 -0.122 777 1HD1 LEU 98 1HD1 LEU 98 21.659 1.815 1.672 778 2HD1 LEU 98 2HD1 LEU 98 23.292 1.501 1.085 779 3HD1 LEU 98 3HD1 LEU 98 22.623 0.527 2.395 780 1HD2 LEU 98 1HD2 LEU 98 22.884 0.161 -1.402 781 2HD2 LEU 98 2HD2 LEU 98 22.794 -1.456 -0.706 782 3HD2 LEU 98 3HD2 LEU 98 23.897 -0.262 -0.022 783 H GLU 99 H GLU 99 21.690 -3.929 -0.924 784 HA GLU 99 HA GLU 99 20.711 -6.119 0.665 785 1HB GLU 99 2HB GLU 99 22.757 -5.997 -1.556 786 2HB GLU 99 1HB GLU 99 22.230 -7.487 -0.784 787 1HG GLU 99 2HG GLU 99 20.807 -7.535 -2.522 788 2HG GLU 99 1HG GLU 99 19.846 -6.498 -1.470 Start of MODEL 20 1 1H ARG 1 1H ARG 1 9.752 14.682 5.952 2 2H ARG 1 2H ARG 1 8.570 13.971 6.974 3 3H ARG 1 3H ARG 1 8.443 15.625 6.531 4 HA ARG 1 HA ARG 1 6.913 14.217 5.334 5 1HB ARG 1 2HB ARG 1 8.378 16.316 4.477 6 2HB ARG 1 1HB ARG 1 8.863 15.114 3.287 7 1HG ARG 1 2HG ARG 1 6.047 15.996 3.884 8 2HG ARG 1 1HG ARG 1 7.004 16.421 2.464 9 1HD ARG 1 2HD ARG 1 5.832 14.684 1.583 10 2HD ARG 1 1HD ARG 1 7.176 13.776 2.274 11 HE ARG 1 HE ARG 1 5.671 12.757 3.636 12 1HH1 ARG 1 1HH1 ARG 1 4.352 15.851 2.706 13 2HH1 ARG 1 2HH1 ARG 1 2.854 15.604 3.539 14 1HH2 ARG 1 1HH2 ARG 1 3.700 12.429 4.731 15 2HH2 ARG 1 2HH2 ARG 1 2.484 13.662 4.689 16 H ASP 2 H ASP 2 6.773 12.059 5.178 17 HA ASP 2 HA ASP 2 8.979 10.580 3.927 18 1HB ASP 2 2HB ASP 2 7.999 9.939 6.225 19 2HB ASP 2 1HB ASP 2 6.618 9.330 5.317 20 H SER 3 H SER 3 8.773 10.212 1.828 21 HA SER 3 HA SER 3 6.599 8.860 0.689 22 1HB SER 3 2HB SER 3 6.191 11.065 -0.886 23 2HB SER 3 1HB SER 3 5.148 10.581 0.450 24 HG SER 3 HG SER 3 6.908 12.693 0.254 25 H GLY 4 H GLY 4 6.782 8.734 -1.729 26 1HA GLY 4 2HA GLY 4 8.035 8.428 -3.634 27 2HA GLY 4 1HA GLY 4 9.066 9.732 -3.070 28 H THR 5 H THR 5 10.944 8.720 -3.738 29 HA THR 5 HA THR 5 11.784 6.138 -3.392 30 HB THR 5 HB THR 5 13.656 8.433 -2.852 31 HG1 THR 5 1HG THR 5 13.676 8.909 -4.995 32 1HG2 THR 5 1HG2 THR 5 15.166 6.837 -3.085 33 2HG2 THR 5 2HG2 THR 5 14.705 6.756 -4.786 34 3HG2 THR 5 3HG2 THR 5 13.952 5.672 -3.614 35 H VAL 6 H VAL 6 12.659 4.910 -1.860 36 HA VAL 6 HA VAL 6 12.906 6.017 0.843 37 HB VAL 6 HB VAL 6 10.746 4.602 0.223 38 1HG1 VAL 6 1HG1 VAL 6 12.490 2.406 1.170 39 2HG1 VAL 6 2HG1 VAL 6 12.342 2.789 -0.546 40 3HG1 VAL 6 3HG1 VAL 6 10.910 2.340 0.384 41 1HG2 VAL 6 1HG2 VAL 6 12.362 4.425 2.757 42 2HG2 VAL 6 2HG2 VAL 6 10.748 3.731 2.609 43 3HG2 VAL 6 3HG2 VAL 6 10.979 5.468 2.416 44 H TRP 7 H TRP 7 14.420 4.966 2.188 45 HA TRP 7 HA TRP 7 16.219 3.113 0.768 46 1HB TRP 7 2HB TRP 7 16.915 5.234 2.811 47 2HB TRP 7 1HB TRP 7 18.054 4.059 2.159 48 HD1 TRP 7 HD TRP 7 16.062 7.176 1.145 49 HE1 TRP 7 1HE TRP 7 17.091 8.140 -1.008 50 HE3 TRP 7 3HE TRP 7 19.406 3.452 0.107 51 HZ2 TRP 7 2HZ TRP 7 19.061 7.417 -2.896 52 HZ3 TRP 7 3HZ TRP 7 20.826 3.664 -1.892 53 HH2 TRP 7 HH TRP 7 20.656 5.607 -3.362 54 H GLY 8 H GLY 8 16.499 1.173 1.654 55 1HA GLY 8 2HA GLY 8 16.189 0.854 4.551 56 2HA GLY 8 1HA GLY 8 15.053 -0.031 3.556 57 H ALA 9 H ALA 9 16.402 -1.633 5.104 58 HA ALA 9 HA ALA 9 18.552 -2.727 3.414 59 1HB ALA 9 1HB ALA 9 18.390 -2.775 6.424 60 2HB ALA 9 2HB ALA 9 19.516 -1.830 5.448 61 3HB ALA 9 3HB ALA 9 19.615 -3.591 5.451 62 H LEU 10 H LEU 10 18.423 -4.824 2.883 63 HA LEU 10 HA LEU 10 16.022 -6.208 2.992 64 1HB LEU 10 2HB LEU 10 18.430 -6.589 1.770 65 2HB LEU 10 1HB LEU 10 18.443 -7.893 2.941 66 HG LEU 10 HG LEU 10 16.062 -8.415 1.957 67 1HD1 LEU 10 1HD1 LEU 10 17.199 -6.449 0.080 68 2HD1 LEU 10 2HD1 LEU 10 15.519 -6.881 0.397 69 3HD1 LEU 10 3HD1 LEU 10 16.510 -7.899 -0.648 70 1HD2 LEU 10 1HD2 LEU 10 17.044 -10.024 0.551 71 2HD2 LEU 10 2HD2 LEU 10 18.196 -9.763 1.859 72 3HD2 LEU 10 3HD2 LEU 10 18.474 -9.030 0.279 73 H GLY 11 H GLY 11 15.059 -7.563 4.375 74 1HA GLY 11 2HA GLY 11 14.861 -9.048 6.160 75 2HA GLY 11 1HA GLY 11 16.545 -8.753 6.563 76 H HIS 12 H HIS 12 15.376 -5.728 6.211 77 HA HIS 12 HA HIS 12 14.698 -5.586 9.065 78 1HB HIS 12 2HB HIS 12 16.403 -4.121 9.069 79 2HB HIS 12 1HB HIS 12 16.428 -4.031 7.316 80 HD1 HIS 12 1HD HIS 12 15.179 -2.253 10.335 81 HD2 HIS 12 2HD HIS 12 15.016 -1.930 6.208 82 HE1 HIS 12 1HE HIS 12 14.398 0.097 9.884 83 HE2 HIS 12 2HE HIS 12 14.421 0.311 7.371 84 H GLY 13 H GLY 13 13.228 -3.667 9.588 85 1HA GLY 13 2HA GLY 13 10.794 -4.056 8.100 86 2HA GLY 13 1HA GLY 13 10.992 -3.058 9.530 87 H ILE 14 H ILE 14 9.407 -2.285 7.378 88 HA ILE 14 HA ILE 14 10.356 0.312 6.904 89 HB ILE 14 HB ILE 14 11.876 -0.999 5.365 90 1HG1 ILE 14 2HG1 ILE 14 11.124 0.581 3.332 91 2HG1 ILE 14 1HG1 ILE 14 10.174 1.314 4.620 92 1HG2 ILE 14 1HG2 ILE 14 10.374 -2.654 4.523 93 2HG2 ILE 14 2HG2 ILE 14 10.896 -1.648 3.173 94 3HG2 ILE 14 3HG2 ILE 14 9.295 -1.419 3.874 95 1HD1 ILE 14 1HD1 ILE 14 13.101 0.801 4.967 96 2HD1 ILE 14 2HD1 ILE 14 12.060 1.947 5.814 97 3HD1 ILE 14 3HD1 ILE 14 12.512 2.241 4.135 98 H ASP 15 H ASP 15 8.720 1.625 6.231 99 HA ASP 15 HA ASP 15 6.257 0.305 5.296 100 1HB ASP 15 2HB ASP 15 6.033 1.007 7.641 101 2HB ASP 15 1HB ASP 15 6.468 2.653 7.194 102 H LEU 16 H LEU 16 5.421 1.057 3.470 103 HA LEU 16 HA LEU 16 6.668 3.309 2.143 104 1HB LEU 16 2HB LEU 16 4.929 1.066 1.400 105 2HB LEU 16 1HB LEU 16 4.491 2.557 0.602 106 HG LEU 16 HG LEU 16 6.045 2.195 -0.941 107 1HD1 LEU 16 1HD1 LEU 16 8.443 2.131 -0.437 108 2HD1 LEU 16 2HD1 LEU 16 8.071 2.024 1.282 109 3HD1 LEU 16 3HD1 LEU 16 7.622 3.467 0.368 110 1HD2 LEU 16 1HD2 LEU 16 6.938 0.094 -1.229 111 2HD2 LEU 16 2HD2 LEU 16 5.586 -0.221 -0.141 112 3HD2 LEU 16 3HD2 LEU 16 7.229 -0.136 0.495 113 H ASP 17 H ASP 17 5.939 5.355 2.227 114 HA ASP 17 HA ASP 17 3.277 5.792 3.384 115 1HB ASP 17 2HB ASP 17 5.737 7.521 3.272 116 2HB ASP 17 1HB ASP 17 4.156 8.166 3.705 117 H ILE 18 H ILE 18 1.689 6.483 2.194 118 HA ILE 18 HA ILE 18 2.070 7.218 -0.563 119 HB ILE 18 HB ILE 18 -0.447 7.111 1.093 120 1HG1 ILE 18 2HG1 ILE 18 1.081 5.074 -0.464 121 2HG1 ILE 18 1HG1 ILE 18 0.296 4.912 1.092 122 1HG2 ILE 18 1HG2 ILE 18 -0.249 6.974 -1.902 123 2HG2 ILE 18 2HG2 ILE 18 -0.485 8.494 -1.040 124 3HG2 ILE 18 3HG2 ILE 18 -1.684 7.208 -0.907 125 1HD1 ILE 18 1HD1 ILE 18 -0.962 4.881 -1.610 126 2HD1 ILE 18 2HD1 ILE 18 -1.898 5.131 -0.135 127 3HD1 ILE 18 3HD1 ILE 18 -0.990 3.636 -0.359 128 HA PRO 19 HA PRO 19 2.403 11.600 0.407 129 1HB PRO 19 2HB PRO 19 1.915 11.862 -2.506 130 2HB PRO 19 1HB PRO 19 3.240 12.498 -1.523 131 1HG PRO 19 2HG PRO 19 3.628 10.435 -3.168 132 2HG PRO 19 1HG PRO 19 4.415 10.498 -1.579 133 1HD PRO 19 2HD PRO 19 2.022 8.927 -2.450 134 2HD PRO 19 1HD PRO 19 3.360 8.444 -1.389 135 H ASN 20 H ASN 20 0.886 12.941 1.064 136 HA ASN 20 HA ASN 20 -1.203 13.744 1.535 137 1HB ASN 20 2HB ASN 20 -0.285 14.767 -0.752 138 2HB ASN 20 1HB ASN 20 -1.751 14.013 -1.372 139 1HD2 ASN 20 1HD2 ASN 20 -3.668 14.407 0.271 140 2HD2 ASN 20 2HD2 ASN 20 -3.893 16.068 0.689 141 H PHE 21 H PHE 21 -1.783 11.347 2.076 142 HA PHE 21 HA PHE 21 -4.299 10.796 0.720 143 1HB PHE 21 2HB PHE 21 -3.046 9.227 -0.411 144 2HB PHE 21 1HB PHE 21 -1.957 8.957 0.939 145 HD1 PHE 21 1HD PHE 21 -5.532 8.487 0.011 146 HD2 PHE 21 2HD PHE 21 -2.144 7.011 2.099 147 HE1 PHE 21 1HE PHE 21 -6.802 6.467 0.637 148 HE2 PHE 21 2HE PHE 21 -3.395 4.985 2.725 149 HZ PHE 21 HZ PHE 21 -5.731 4.712 1.991 150 H GLN 22 H GLN 22 -5.836 9.734 2.018 151 HA GLN 22 HA GLN 22 -5.103 9.249 4.812 152 1HB GLN 22 2HB GLN 22 -7.049 11.259 3.793 153 2HB GLN 22 1HB GLN 22 -7.479 10.374 5.251 154 1HG GLN 22 2HG GLN 22 -6.388 12.024 6.289 155 2HG GLN 22 1HG GLN 22 -4.948 11.109 5.842 156 1HE2 GLN 22 1HE2 GLN 22 -5.402 14.005 6.267 157 2HE2 GLN 22 2HE2 GLN 22 -4.847 14.769 4.821 158 H MET 23 H MET 23 -5.711 7.257 5.305 159 HA MET 23 HA MET 23 -7.722 5.890 3.744 160 1HB MET 23 2HB MET 23 -5.586 4.814 4.522 161 2HB MET 23 1HB MET 23 -6.225 4.869 6.159 162 1HG MET 23 2HG MET 23 -7.987 3.629 4.162 163 2HG MET 23 1HG MET 23 -6.482 2.769 4.490 164 1HE MET 23 1HE MET 23 -10.130 3.436 6.983 165 2HE MET 23 2HE MET 23 -10.118 2.130 5.797 166 3HE MET 23 3HE MET 23 -9.779 3.784 5.289 167 H THR 24 H THR 24 -9.554 7.180 4.347 168 HA THR 24 HA THR 24 -10.567 6.571 7.047 169 HB THR 24 HB THR 24 -11.861 8.630 6.945 170 HG1 THR 24 1HG THR 24 -10.627 9.060 4.429 171 1HG2 THR 24 1HG2 THR 24 -10.069 10.325 6.828 172 2HG2 THR 24 2HG2 THR 24 -8.976 9.077 6.229 173 3HG2 THR 24 3HG2 THR 24 -9.668 8.942 7.846 174 H ASP 25 H ASP 25 -13.173 7.150 6.831 175 HA ASP 25 HA ASP 25 -14.286 4.905 5.616 176 1HB ASP 25 2HB ASP 25 -15.503 7.501 6.547 177 2HB ASP 25 1HB ASP 25 -16.483 6.200 5.877 178 H ASP 26 H ASP 26 -13.662 8.096 4.352 179 HA ASP 26 HA ASP 26 -15.342 8.066 2.115 180 1HB ASP 26 2HB ASP 26 -13.645 9.883 3.155 181 2HB ASP 26 1HB ASP 26 -12.676 9.321 1.797 182 H ILE 27 H ILE 27 -12.392 6.374 2.757 183 HA ILE 27 HA ILE 27 -11.861 5.770 -0.010 184 HB ILE 27 HB ILE 27 -10.604 4.743 2.537 185 1HG1 ILE 27 2HG1 ILE 27 -10.154 7.097 2.238 186 2HG1 ILE 27 1HG1 ILE 27 -8.712 6.203 1.811 187 1HG2 ILE 27 1HG2 ILE 27 -10.354 3.120 0.740 188 2HG2 ILE 27 2HG2 ILE 27 -8.812 3.882 1.121 189 3HG2 ILE 27 3HG2 ILE 27 -9.707 4.374 -0.316 190 1HD1 ILE 27 1HD1 ILE 27 -10.512 7.813 0.119 191 2HD1 ILE 27 2HD1 ILE 27 -9.794 6.376 -0.608 192 3HD1 ILE 27 3HD1 ILE 27 -8.757 7.636 0.067 193 H ASP 28 H ASP 28 -12.710 3.984 -1.094 194 HA ASP 28 HA ASP 28 -14.088 1.973 0.537 195 1HB ASP 28 2HB ASP 28 -15.000 3.518 -1.620 196 2HB ASP 28 1HB ASP 28 -14.793 1.893 -2.263 197 H GLU 29 H GLU 29 -12.020 2.361 -2.373 198 HA GLU 29 HA GLU 29 -11.264 -0.465 -1.967 199 1HB GLU 29 2HB GLU 29 -12.771 -0.075 -3.946 200 2HB GLU 29 1HB GLU 29 -11.482 0.876 -4.661 201 1HG GLU 29 2HG GLU 29 -10.042 -1.035 -4.754 202 2HG GLU 29 1HG GLU 29 -11.210 -2.007 -3.861 203 H VAL 30 H VAL 30 -9.185 -0.670 -1.459 204 HA VAL 30 HA VAL 30 -7.250 1.255 -2.590 205 HB VAL 30 HB VAL 30 -6.830 -0.215 0.018 206 1HG1 VAL 30 1HG1 VAL 30 -5.282 1.628 -1.620 207 2HG1 VAL 30 2HG1 VAL 30 -4.764 0.537 -0.335 208 3HG1 VAL 30 3HG1 VAL 30 -5.409 2.130 0.066 209 1HG2 VAL 30 1HG2 VAL 30 -8.607 1.076 0.676 210 2HG2 VAL 30 2HG2 VAL 30 -8.285 2.327 -0.526 211 3HG2 VAL 30 3HG2 VAL 30 -7.284 2.215 0.921 212 H ARG 31 H ARG 31 -5.314 0.429 -3.391 213 HA ARG 31 HA ARG 31 -4.837 -2.432 -3.211 214 1HB ARG 31 2HB ARG 31 -4.690 -2.723 -5.629 215 2HB ARG 31 1HB ARG 31 -6.302 -2.216 -5.152 216 1HG ARG 31 2HG ARG 31 -5.660 0.120 -5.771 217 2HG ARG 31 1HG ARG 31 -4.161 -0.538 -6.431 218 1HD ARG 31 2HD ARG 31 -6.978 -1.106 -7.328 219 2HD ARG 31 1HD ARG 31 -5.698 -0.302 -8.236 220 HE ARG 31 HE ARG 31 -4.747 -2.821 -7.624 221 1HH1 ARG 31 1HH1 ARG 31 -7.422 -1.473 -9.415 222 2HH1 ARG 31 2HH1 ARG 31 -7.511 -2.799 -10.523 223 1HH2 ARG 31 1HH2 ARG 31 -4.863 -4.568 -9.082 224 2HH2 ARG 31 2HH2 ARG 31 -6.059 -4.557 -10.335 225 H TRP 32 H TRP 32 -2.760 -2.938 -3.148 226 HA TRP 32 HA TRP 32 -0.776 -0.854 -3.780 227 1HB TRP 32 2HB TRP 32 -0.807 -3.084 -1.761 228 2HB TRP 32 1HB TRP 32 0.718 -2.424 -2.326 229 HD1 TRP 32 HD TRP 32 -2.374 -1.461 -0.252 230 HE1 TRP 32 1HE TRP 32 -1.783 0.600 1.172 231 HE3 TRP 32 3HE TRP 32 2.240 -0.433 -2.193 232 HZ2 TRP 32 2HZ TRP 32 0.363 2.431 1.431 233 HZ3 TRP 32 3HZ TRP 32 3.497 1.489 -1.304 234 HH2 TRP 32 HH TRP 32 2.574 2.887 0.472 235 H GLU 33 H GLU 33 -0.627 -1.340 -5.986 236 HA GLU 33 HA GLU 33 0.111 -4.080 -6.690 237 1HB GLU 33 2HB GLU 33 -0.569 -1.743 -8.478 238 2HB GLU 33 1HB GLU 33 -0.273 -3.391 -9.012 239 1HG GLU 33 2HG GLU 33 -2.207 -4.118 -7.626 240 2HG GLU 33 1HG GLU 33 -2.546 -2.418 -7.302 241 H ARG 34 H ARG 34 1.916 -4.639 -7.815 242 HA ARG 34 HA ARG 34 3.984 -2.622 -8.267 243 1HB ARG 34 2HB ARG 34 4.196 -3.900 -5.990 244 2HB ARG 34 1HB ARG 34 4.737 -5.236 -6.998 245 1HG ARG 34 2HG ARG 34 6.298 -3.274 -7.963 246 2HG ARG 34 1HG ARG 34 6.088 -2.713 -6.303 247 1HD ARG 34 2HD ARG 34 7.307 -4.403 -5.441 248 2HD ARG 34 1HD ARG 34 6.684 -5.579 -6.597 249 HE ARG 34 HE ARG 34 9.088 -4.022 -6.831 250 1HH1 ARG 34 1HH1 ARG 34 6.623 -5.757 -8.590 251 2HH1 ARG 34 2HH1 ARG 34 7.632 -6.043 -9.969 252 1HH2 ARG 34 1HH2 ARG 34 10.415 -4.396 -8.643 253 2HH2 ARG 34 2HH2 ARG 34 9.785 -5.270 -9.999 254 H GLY 35 H GLY 35 4.543 -2.822 -10.349 255 1HA GLY 35 2HA GLY 35 4.972 -3.773 -12.404 256 2HA GLY 35 1HA GLY 35 5.475 -5.196 -11.511 257 H SER 36 H SER 36 4.382 -6.961 -11.898 258 HA SER 36 HA SER 36 1.602 -6.732 -12.852 259 1HB SER 36 2HB SER 36 3.631 -8.856 -13.590 260 2HB SER 36 1HB SER 36 1.970 -8.764 -14.175 261 HG SER 36 HG SER 36 4.197 -7.307 -14.919 262 H THR 37 H THR 37 2.089 -6.825 -10.143 263 HA THR 37 HA THR 37 0.788 -9.321 -9.437 264 HB THR 37 HB THR 37 3.463 -8.535 -8.266 265 HG1 THR 37 1HG THR 37 2.670 -10.829 -9.730 266 1HG2 THR 37 1HG2 THR 37 1.631 -10.791 -7.493 267 2HG2 THR 37 2HG2 THR 37 2.159 -9.445 -6.479 268 3HG2 THR 37 3HG2 THR 37 3.322 -10.658 -7.012 269 H LEU 38 H LEU 38 0.011 -9.326 -7.190 270 HA LEU 38 HA LEU 38 -0.554 -6.579 -6.263 271 1HB LEU 38 2HB LEU 38 -2.086 -9.113 -6.195 272 2HB LEU 38 1HB LEU 38 -2.168 -8.144 -4.746 273 HG LEU 38 HG LEU 38 -2.812 -6.952 -7.433 274 1HD1 LEU 38 1HD1 LEU 38 -4.364 -8.834 -5.772 275 2HD1 LEU 38 2HD1 LEU 38 -4.451 -8.506 -7.505 276 3HD1 LEU 38 3HD1 LEU 38 -5.225 -7.409 -6.361 277 1HD2 LEU 38 1HD2 LEU 38 -4.360 -5.722 -5.631 278 2HD2 LEU 38 2HD2 LEU 38 -2.726 -5.184 -6.017 279 3HD2 LEU 38 3HD2 LEU 38 -3.013 -6.174 -4.587 280 H VAL 39 H VAL 39 -0.274 -6.045 -4.087 281 HA VAL 39 HA VAL 39 1.412 -7.928 -2.587 282 HB VAL 39 HB VAL 39 1.602 -4.925 -2.794 283 1HG1 VAL 39 1HG1 VAL 39 3.380 -5.047 -1.085 284 2HG1 VAL 39 2HG1 VAL 39 2.958 -6.736 -0.802 285 3HG1 VAL 39 3HG1 VAL 39 1.787 -5.464 -0.452 286 1HG2 VAL 39 1HG2 VAL 39 3.585 -5.260 -3.889 287 2HG2 VAL 39 2HG2 VAL 39 2.774 -6.761 -4.342 288 3HG2 VAL 39 3HG2 VAL 39 3.936 -6.752 -3.015 289 H ALA 40 H ALA 40 -1.009 -5.368 -2.380 290 HA ALA 40 HA ALA 40 -2.407 -6.642 -0.275 291 1HB ALA 40 1HB ALA 40 -1.006 -4.139 0.621 292 2HB ALA 40 2HB ALA 40 -0.360 -5.754 0.924 293 3HB ALA 40 3HB ALA 40 -1.925 -5.289 1.593 294 H GLU 41 H GLU 41 -4.429 -6.144 -0.852 295 HA GLU 41 HA GLU 41 -5.035 -3.325 -1.410 296 1HB GLU 41 2HB GLU 41 -6.265 -3.802 -3.296 297 2HB GLU 41 1HB GLU 41 -4.995 -5.011 -3.422 298 1HG GLU 41 2HG GLU 41 -6.911 -6.296 -1.947 299 2HG GLU 41 1HG GLU 41 -7.859 -5.332 -3.068 300 H PHE 42 H PHE 42 -7.171 -2.670 -0.913 301 HA PHE 42 HA PHE 42 -8.495 -4.334 1.107 302 1HB PHE 42 2HB PHE 42 -7.497 -2.417 2.149 303 2HB PHE 42 1HB PHE 42 -8.159 -1.340 0.932 304 HD1 PHE 42 1HD PHE 42 -10.364 -0.517 1.068 305 HD2 PHE 42 2HD PHE 42 -9.001 -3.442 3.842 306 HE1 PHE 42 1HE PHE 42 -12.356 -0.121 2.450 307 HE2 PHE 42 2HE PHE 42 -10.993 -3.051 5.236 308 HZ PHE 42 HZ PHE 42 -12.674 -1.389 4.540 309 H LYS 43 H LYS 43 -10.796 -4.112 1.272 310 HA LYS 43 HA LYS 43 -12.219 -2.782 -0.872 311 1HB LYS 43 2HB LYS 43 -11.470 -5.249 -1.503 312 2HB LYS 43 1HB LYS 43 -12.873 -5.675 -0.534 313 1HG LYS 43 2HG LYS 43 -14.190 -4.076 -1.994 314 2HG LYS 43 1HG LYS 43 -12.781 -4.051 -3.056 315 1HD LYS 43 2HD LYS 43 -13.107 -6.717 -2.706 316 2HD LYS 43 1HD LYS 43 -14.780 -6.164 -2.607 317 1HE LYS 43 2HE LYS 43 -14.813 -5.433 -4.774 318 2HE LYS 43 1HE LYS 43 -13.081 -5.110 -4.805 319 1HZ LYS 43 1HZ LYS 43 -12.598 -7.356 -5.130 320 2HZ LYS 43 2HZ LYS 43 -13.918 -7.071 -6.147 321 3HZ LYS 43 3HZ LYS 43 -14.145 -7.865 -4.671 322 H ARG 44 H ARG 44 -13.872 -1.796 0.090 323 HA ARG 44 HA ARG 44 -14.643 -2.103 2.687 324 1HB ARG 44 2HB ARG 44 -15.309 -0.164 1.433 325 2HB ARG 44 1HB ARG 44 -16.290 -1.147 0.359 326 1HG ARG 44 2HG ARG 44 -18.040 -0.807 1.668 327 2HG ARG 44 1HG ARG 44 -17.204 -1.623 2.990 328 1HD ARG 44 2HD ARG 44 -17.294 1.308 2.348 329 2HD ARG 44 1HD ARG 44 -17.767 0.492 3.838 330 HE ARG 44 HE ARG 44 -15.121 1.330 3.078 331 1HH1 ARG 44 1HH1 ARG 44 -16.975 -0.849 5.077 332 2HH1 ARG 44 2HH1 ARG 44 -15.706 -1.065 6.235 333 1HH2 ARG 44 1HH2 ARG 44 -13.451 1.047 4.601 334 2HH2 ARG 44 2HH2 ARG 44 -13.706 0.012 5.966 335 H LYS 45 H LYS 45 -15.499 -4.042 0.055 336 HA LYS 45 HA LYS 45 -17.763 -5.307 1.287 337 1HB LYS 45 2HB LYS 45 -16.161 -5.825 -1.198 338 2HB LYS 45 1HB LYS 45 -17.326 -7.011 -0.626 339 1HG LYS 45 2HG LYS 45 -18.864 -4.819 -0.565 340 2HG LYS 45 1HG LYS 45 -17.757 -4.371 -1.865 341 1HD LYS 45 2HD LYS 45 -18.583 -5.927 -3.277 342 2HD LYS 45 1HD LYS 45 -18.814 -7.116 -1.994 343 1HE LYS 45 2HE LYS 45 -20.879 -6.202 -1.366 344 2HE LYS 45 1HE LYS 45 -20.572 -4.696 -2.229 345 1HZ LYS 45 1HZ LYS 45 -22.145 -6.496 -3.224 346 2HZ LYS 45 2HZ LYS 45 -20.702 -7.201 -3.752 347 3HZ LYS 45 3HZ LYS 45 -21.100 -5.629 -4.232 348 H MET 46 H MET 46 -15.224 -5.288 2.777 349 HA MET 46 HA MET 46 -13.905 -6.674 4.055 350 1HB MET 46 2HB MET 46 -16.359 -7.317 4.612 351 2HB MET 46 1HB MET 46 -16.008 -8.787 3.714 352 1HG MET 46 2HG MET 46 -14.478 -9.533 5.268 353 2HG MET 46 1HG MET 46 -14.179 -7.915 5.902 354 1HE MET 46 1HE MET 46 -15.377 -7.093 8.220 355 2HE MET 46 2HE MET 46 -14.231 -8.434 8.214 356 3HE MET 46 3HE MET 46 -15.709 -8.540 9.171 357 H LYS 47 H LYS 47 -12.865 -8.886 4.196 358 HA LYS 47 HA LYS 47 -11.526 -10.489 3.294 359 1HB LYS 47 2HB LYS 47 -13.967 -10.548 1.668 360 2HB LYS 47 1HB LYS 47 -12.555 -11.215 0.861 361 1HG LYS 47 2HG LYS 47 -12.322 -12.432 3.236 362 2HG LYS 47 1HG LYS 47 -14.074 -12.226 3.177 363 1HD LYS 47 2HD LYS 47 -13.946 -14.207 2.076 364 2HD LYS 47 1HD LYS 47 -13.673 -13.138 0.697 365 1HE LYS 47 2HE LYS 47 -11.503 -13.735 0.496 366 2HE LYS 47 1HE LYS 47 -11.273 -13.879 2.238 367 1HZ LYS 47 1HZ LYS 47 -12.985 -15.876 0.993 368 2HZ LYS 47 2HZ LYS 47 -11.837 -16.048 2.223 369 3HZ LYS 47 3HZ LYS 47 -11.338 -15.963 0.610 370 HA PRO 48 HA PRO 48 -9.476 -7.555 0.384 371 1HB PRO 48 2HB PRO 48 -7.293 -7.028 1.843 372 2HB PRO 48 1HB PRO 48 -8.827 -6.207 2.152 373 1HG PRO 48 2HG PRO 48 -7.542 -8.448 3.639 374 2HG PRO 48 1HG PRO 48 -8.478 -7.078 4.260 375 1HD PRO 48 2HD PRO 48 -9.454 -9.658 3.859 376 2HD PRO 48 1HD PRO 48 -10.444 -8.198 4.041 377 H PHE 49 H PHE 49 -6.796 -7.677 0.027 378 HA PHE 49 HA PHE 49 -6.184 -10.545 -0.250 379 1HB PHE 49 2HB PHE 49 -6.841 -9.788 -2.441 380 2HB PHE 49 1HB PHE 49 -5.791 -8.381 -2.319 381 HD1 PHE 49 1HD PHE 49 -5.814 -12.065 -2.589 382 HD2 PHE 49 2HD PHE 49 -3.510 -8.501 -2.936 383 HE1 PHE 49 1HE PHE 49 -3.986 -13.347 -3.623 384 HE2 PHE 49 2HE PHE 49 -1.686 -9.774 -3.972 385 HZ PHE 49 HZ PHE 49 -1.917 -12.202 -4.313 386 H LEU 50 H LEU 50 -4.506 -10.955 1.021 387 HA LEU 50 HA LEU 50 -2.363 -8.968 1.227 388 1HB LEU 50 2HB LEU 50 -3.534 -10.967 3.074 389 2HB LEU 50 1HB LEU 50 -1.801 -10.756 3.168 390 HG LEU 50 HG LEU 50 -3.907 -8.646 3.611 391 1HD1 LEU 50 1HD1 LEU 50 -2.683 -8.557 5.850 392 2HD1 LEU 50 2HD1 LEU 50 -1.994 -10.115 5.392 393 3HD1 LEU 50 3HD1 LEU 50 -3.742 -9.936 5.551 394 1HD2 LEU 50 1HD2 LEU 50 -1.541 -7.524 4.361 395 2HD2 LEU 50 2HD2 LEU 50 -2.364 -7.229 2.828 396 3HD2 LEU 50 3HD2 LEU 50 -1.073 -8.425 2.917 397 H LYS 51 H LYS 51 -0.717 -9.396 -0.137 398 HA LYS 51 HA LYS 51 -0.274 -11.662 -1.597 399 1HB LYS 51 2HB LYS 51 0.913 -9.591 -2.015 400 2HB LYS 51 1HB LYS 51 1.801 -9.754 -0.508 401 1HG LYS 51 2HG LYS 51 2.844 -11.812 -1.389 402 2HG LYS 51 1HG LYS 51 2.007 -11.546 -2.920 403 1HD LYS 51 2HD LYS 51 3.559 -9.259 -1.889 404 2HD LYS 51 1HD LYS 51 4.503 -10.662 -2.394 405 1HE LYS 51 2HE LYS 51 2.690 -10.401 -4.434 406 2HE LYS 51 1HE LYS 51 3.007 -8.724 -3.992 407 1HZ LYS 51 1HZ LYS 51 4.635 -9.169 -5.543 408 2HZ LYS 51 2HZ LYS 51 4.883 -10.755 -5.009 409 3HZ LYS 51 3HZ LYS 51 5.460 -9.456 -4.092 410 H SER 52 H SER 52 0.946 -10.986 1.662 411 HA SER 52 HA SER 52 1.011 -13.689 2.409 412 1HB SER 52 2HB SER 52 3.523 -13.937 2.594 413 2HB SER 52 1HB SER 52 2.882 -13.997 0.953 414 HG SER 52 HG SER 52 4.800 -12.527 1.627 415 H GLY 53 H GLY 53 2.090 -14.024 4.524 416 1HA GLY 53 2HA GLY 53 1.318 -12.099 6.365 417 2HA GLY 53 1HA GLY 53 2.431 -13.394 6.760 418 H ALA 54 H ALA 54 4.089 -11.969 4.362 419 HA ALA 54 HA ALA 54 5.796 -10.578 6.176 420 1HB ALA 54 1HB ALA 54 7.346 -10.691 4.548 421 2HB ALA 54 2HB ALA 54 6.217 -10.181 3.292 422 3HB ALA 54 3HB ALA 54 6.223 -11.856 3.846 423 H PHE 55 H PHE 55 2.951 -9.603 4.920 424 HA PHE 55 HA PHE 55 3.777 -6.786 4.992 425 1HB PHE 55 2HB PHE 55 1.725 -7.926 3.090 426 2HB PHE 55 1HB PHE 55 2.209 -6.244 3.209 427 HD1 PHE 55 1HD PHE 55 2.843 -9.375 1.641 428 HD2 PHE 55 2HD PHE 55 4.629 -5.672 2.720 429 HE1 PHE 55 1HE PHE 55 4.604 -9.740 -0.040 430 HE2 PHE 55 2HE PHE 55 6.391 -6.022 1.042 431 HZ PHE 55 HZ PHE 55 6.381 -8.062 -0.342 432 H GLU 56 H GLU 56 2.104 -5.300 5.584 433 HA GLU 56 HA GLU 56 -0.342 -6.360 6.715 434 1HB GLU 56 2HB GLU 56 1.945 -5.396 8.358 435 2HB GLU 56 1HB GLU 56 0.335 -4.896 8.854 436 1HG GLU 56 2HG GLU 56 0.567 -7.747 8.248 437 2HG GLU 56 1HG GLU 56 1.566 -7.205 9.596 438 H ILE 57 H ILE 57 -1.888 -5.018 6.082 439 HA ILE 57 HA ILE 57 -1.258 -2.400 5.095 440 HB ILE 57 HB ILE 57 -2.998 -3.798 4.042 441 1HG1 ILE 57 2HG1 ILE 57 -4.422 -1.372 5.056 442 2HG1 ILE 57 1HG1 ILE 57 -2.921 -1.163 4.162 443 1HG2 ILE 57 1HG2 ILE 57 -5.139 -3.165 5.882 444 2HG2 ILE 57 2HG2 ILE 57 -3.911 -4.181 6.635 445 3HG2 ILE 57 3HG2 ILE 57 -4.700 -4.707 5.148 446 1HD1 ILE 57 1HD1 ILE 57 -3.842 -1.798 2.198 447 2HD1 ILE 57 2HD1 ILE 57 -5.301 -1.203 2.990 448 3HD1 ILE 57 3HD1 ILE 57 -4.957 -2.933 2.959 449 H LEU 58 H LEU 58 -0.643 -0.996 6.633 450 HA LEU 58 HA LEU 58 -1.518 -0.802 9.246 451 1HB LEU 58 2HB LEU 58 0.077 0.730 7.447 452 2HB LEU 58 1HB LEU 58 -0.989 1.827 8.300 453 HG LEU 58 HG LEU 58 -0.109 1.187 10.418 454 1HD1 LEU 58 1HD1 LEU 58 1.044 -1.104 8.894 455 2HD1 LEU 58 2HD1 LEU 58 0.180 -1.095 10.432 456 3HD1 LEU 58 3HD1 LEU 58 1.852 -0.537 10.356 457 1HD2 LEU 58 1HD2 LEU 58 1.707 1.952 8.250 458 2HD2 LEU 58 2HD2 LEU 58 2.506 1.314 9.687 459 3HD2 LEU 58 3HD2 LEU 58 1.429 2.705 9.821 460 H ALA 59 H ALA 59 -2.809 0.953 10.246 461 HA ALA 59 HA ALA 59 -5.447 0.954 9.229 462 1HB ALA 59 1HB ALA 59 -4.883 1.076 11.630 463 2HB ALA 59 2HB ALA 59 -6.000 2.342 11.120 464 3HB ALA 59 3HB ALA 59 -4.298 2.722 11.383 465 H ASN 60 H ASN 60 -2.762 3.050 8.711 466 HA ASN 60 HA ASN 60 -4.466 5.196 7.699 467 1HB ASN 60 2HB ASN 60 -2.158 6.309 7.314 468 2HB ASN 60 1HB ASN 60 -2.746 6.136 8.963 469 1HD2 ASN 60 1HD2 ASN 60 -1.863 4.469 10.273 470 2HD2 ASN 60 2HD2 ASN 60 -0.285 3.843 9.950 471 H GLY 61 H GLY 61 -4.308 2.624 6.331 472 1HA GLY 61 2HA GLY 61 -4.139 1.805 4.195 473 2HA GLY 61 1HA GLY 61 -4.238 3.482 3.689 474 H ASP 62 H ASP 62 -1.649 2.075 5.633 475 HA ASP 62 HA ASP 62 0.190 2.645 3.403 476 1HB ASP 62 2HB ASP 62 0.393 3.076 6.326 477 2HB ASP 62 1HB ASP 62 1.855 2.510 5.525 478 H LEU 63 H LEU 63 2.051 1.250 3.154 479 HA LEU 63 HA LEU 63 1.329 -1.565 3.657 480 1HB LEU 63 2HB LEU 63 2.051 -0.654 1.388 481 2HB LEU 63 1HB LEU 63 3.665 -0.517 2.060 482 HG LEU 63 HG LEU 63 3.386 -3.046 2.608 483 1HD1 LEU 63 1HD1 LEU 63 1.599 -2.992 0.215 484 2HD1 LEU 63 2HD1 LEU 63 0.913 -2.854 1.835 485 3HD1 LEU 63 3HD1 LEU 63 1.856 -4.280 1.396 486 1HD2 LEU 63 1HD2 LEU 63 3.999 -3.498 0.110 487 2HD2 LEU 63 2HD2 LEU 63 5.072 -2.539 1.130 488 3HD2 LEU 63 3HD2 LEU 63 3.984 -1.738 -0.004 489 H LYS 64 H LYS 64 2.187 -2.645 5.327 490 HA LYS 64 HA LYS 64 4.676 -1.619 6.511 491 1HB LYS 64 2HB LYS 64 2.753 -1.662 8.030 492 2HB LYS 64 1HB LYS 64 2.537 -3.380 7.725 493 1HG LYS 64 2HG LYS 64 3.771 -3.692 9.548 494 2HG LYS 64 1HG LYS 64 5.150 -3.247 8.541 495 1HD LYS 64 2HD LYS 64 5.408 -1.258 9.562 496 2HD LYS 64 1HD LYS 64 3.669 -0.973 9.660 497 1HE LYS 64 2HE LYS 64 4.024 -1.271 11.868 498 2HE LYS 64 1HE LYS 64 3.914 -2.977 11.436 499 1HZ LYS 64 1HZ LYS 64 6.336 -3.025 11.240 500 2HZ LYS 64 2HZ LYS 64 5.850 -2.571 12.795 501 3HZ LYS 64 3HZ LYS 64 6.418 -1.402 11.712 502 H ILE 65 H ILE 65 6.379 -2.662 5.710 503 HA ILE 65 HA ILE 65 6.211 -5.466 4.957 504 HB ILE 65 HB ILE 65 8.739 -3.851 4.913 505 1HG1 ILE 65 2HG1 ILE 65 6.463 -3.716 2.920 506 2HG1 ILE 65 1HG1 ILE 65 7.126 -2.391 3.865 507 1HG2 ILE 65 1HG2 ILE 65 9.418 -5.825 4.116 508 2HG2 ILE 65 2HG2 ILE 65 8.598 -5.355 2.630 509 3HG2 ILE 65 3HG2 ILE 65 7.770 -6.372 3.808 510 1HD1 ILE 65 1HD1 ILE 65 8.425 -1.914 2.146 511 2HD1 ILE 65 2HD1 ILE 65 7.940 -3.385 1.300 512 3HD1 ILE 65 3HD1 ILE 65 9.287 -3.423 2.439 513 H LYS 66 H LYS 66 7.110 -7.148 6.069 514 HA LYS 66 HA LYS 66 7.959 -6.620 8.781 515 1HB LYS 66 2HB LYS 66 6.367 -8.428 8.325 516 2HB LYS 66 1HB LYS 66 7.573 -9.239 7.336 517 1HG LYS 66 2HG LYS 66 9.003 -9.511 9.299 518 2HG LYS 66 1HG LYS 66 7.791 -8.697 10.291 519 1HD LYS 66 2HD LYS 66 6.226 -10.453 9.976 520 2HD LYS 66 1HD LYS 66 7.200 -11.182 8.697 521 1HE LYS 66 2HE LYS 66 8.453 -10.858 11.367 522 2HE LYS 66 1HE LYS 66 7.208 -12.095 11.196 523 1HZ LYS 66 1HZ LYS 66 9.742 -12.569 10.686 524 2HZ LYS 66 2HZ LYS 66 9.292 -12.009 9.155 525 3HZ LYS 66 3HZ LYS 66 8.499 -13.338 9.834 526 H ASN 67 H ASN 67 9.312 -8.146 5.923 527 HA ASN 67 HA ASN 67 11.994 -7.562 6.896 528 1HB ASN 67 2HB ASN 67 10.845 -10.206 6.861 529 2HB ASN 67 1HB ASN 67 12.194 -10.126 5.732 530 1HD2 ASN 67 1HD2 ASN 67 13.754 -11.176 6.781 531 2HD2 ASN 67 2HD2 ASN 67 14.353 -10.758 8.347 532 H LEU 68 H LEU 68 12.783 -6.335 5.327 533 HA LEU 68 HA LEU 68 11.859 -6.146 2.736 534 1HB LEU 68 2HB LEU 68 14.489 -5.473 4.000 535 2HB LEU 68 1HB LEU 68 14.204 -5.183 2.295 536 HG LEU 68 HG LEU 68 12.182 -4.142 4.183 537 1HD1 LEU 68 1HD1 LEU 68 13.528 -2.110 4.584 538 2HD1 LEU 68 2HD1 LEU 68 14.920 -2.924 3.872 539 3HD1 LEU 68 3HD1 LEU 68 14.199 -3.545 5.356 540 1HD2 LEU 68 1HD2 LEU 68 13.064 -3.722 1.469 541 2HD2 LEU 68 2HD2 LEU 68 12.943 -2.203 2.356 542 3HD2 LEU 68 3HD2 LEU 68 11.546 -3.275 2.244 543 H THR 69 H THR 69 12.689 -6.785 0.735 544 HA THR 69 HA THR 69 14.642 -8.924 0.613 545 HB THR 69 HB THR 69 12.945 -10.313 -0.769 546 HG1 THR 69 1HG THR 69 10.977 -9.633 -0.755 547 1HG2 THR 69 1HG2 THR 69 13.796 -11.108 1.351 548 2HG2 THR 69 2HG2 THR 69 12.072 -11.453 1.201 549 3HG2 THR 69 3HG2 THR 69 12.620 -10.116 2.213 550 H ARG 70 H ARG 70 15.215 -9.509 -1.594 551 HA ARG 70 HA ARG 70 15.721 -7.336 -3.234 552 1HB ARG 70 2HB ARG 70 15.351 -10.053 -4.453 553 2HB ARG 70 1HB ARG 70 16.559 -8.832 -4.819 554 1HG ARG 70 2HG ARG 70 17.924 -10.179 -3.664 555 2HG ARG 70 1HG ARG 70 17.196 -9.418 -2.250 556 1HD ARG 70 2HD ARG 70 15.414 -11.290 -2.479 557 2HD ARG 70 1HD ARG 70 16.640 -12.098 -3.457 558 HE ARG 70 HE ARG 70 17.665 -11.196 -0.946 559 1HH1 ARG 70 1HH1 ARG 70 15.868 -13.753 -2.500 560 2HH1 ARG 70 2HH1 ARG 70 16.291 -14.942 -1.313 561 1HH2 ARG 70 1HH2 ARG 70 18.222 -12.758 0.615 562 2HH2 ARG 70 2HH2 ARG 70 17.628 -14.377 0.455 563 H ASP 71 H ASP 71 13.236 -9.833 -3.804 564 HA ASP 71 HA ASP 71 12.054 -8.670 -6.028 565 1HB ASP 71 2HB ASP 71 11.560 -10.955 -5.267 566 2HB ASP 71 1HB ASP 71 10.711 -10.307 -3.866 567 H ASP 72 H ASP 72 11.925 -7.675 -2.730 568 HA ASP 72 HA ASP 72 9.478 -6.179 -3.001 569 1HB ASP 72 2HB ASP 72 10.866 -7.174 -0.853 570 2HB ASP 72 1HB ASP 72 11.247 -5.457 -0.773 571 H SER 73 H SER 73 12.735 -5.653 -3.833 572 HA SER 73 HA SER 73 12.681 -2.783 -3.523 573 1HB SER 73 2HB SER 73 14.912 -2.804 -4.166 574 2HB SER 73 1HB SER 73 14.743 -4.416 -3.474 575 HG SER 73 HG SER 73 15.760 -4.153 -5.661 576 H GLY 74 H GLY 74 12.293 -1.263 -5.080 577 1HA GLY 74 2HA GLY 74 12.466 -1.169 -7.699 578 2HA GLY 74 1HA GLY 74 11.116 -2.279 -7.559 579 H THR 75 H THR 75 9.196 -1.215 -7.951 580 HA THR 75 HA THR 75 8.815 1.418 -6.658 581 HB THR 75 HB THR 75 8.727 0.754 -9.562 582 HG1 THR 75 1HG THR 75 10.303 2.126 -8.987 583 1HG2 THR 75 1HG2 THR 75 7.199 2.527 -10.118 584 2HG2 THR 75 2HG2 THR 75 6.885 2.837 -8.412 585 3HG2 THR 75 3HG2 THR 75 6.374 1.313 -9.140 586 H TYR 76 H TYR 76 6.868 1.651 -5.713 587 HA TYR 76 HA TYR 76 4.883 -0.482 -6.145 588 1HB TYR 76 2HB TYR 76 5.427 1.267 -3.741 589 2HB TYR 76 1HB TYR 76 3.999 0.248 -3.886 590 HD1 TYR 76 1HD TYR 76 4.079 -1.923 -3.063 591 HD2 TYR 76 2HD TYR 76 7.718 0.044 -4.041 592 HE1 TYR 76 1HE TYR 76 5.349 -3.819 -2.135 593 HE2 TYR 76 2HE TYR 76 8.996 -1.840 -3.119 594 HH TYR 76 HH TYR 76 8.726 -4.169 -2.601 595 H ASN 77 H ASN 77 2.849 0.023 -6.776 596 HA ASN 77 HA ASN 77 2.247 2.884 -7.153 597 1HB ASN 77 2HB ASN 77 1.821 0.501 -8.883 598 2HB ASN 77 1HB ASN 77 0.587 1.755 -8.918 599 1HD2 ASN 77 1HD2 ASN 77 3.197 0.702 -10.475 600 2HD2 ASN 77 2HD2 ASN 77 3.802 2.184 -11.126 601 H VAL 78 H VAL 78 0.627 3.661 -5.968 602 HA VAL 78 HA VAL 78 -1.303 1.751 -4.848 603 HB VAL 78 HB VAL 78 -1.424 4.505 -3.821 604 1HG1 VAL 78 1HG1 VAL 78 -2.397 3.444 -2.134 605 2HG1 VAL 78 2HG1 VAL 78 -1.013 2.371 -1.917 606 3HG1 VAL 78 3HG1 VAL 78 -2.265 1.972 -3.087 607 1HG2 VAL 78 1HG2 VAL 78 0.841 4.709 -3.690 608 2HG2 VAL 78 2HG2 VAL 78 1.115 2.965 -3.692 609 3HG2 VAL 78 3HG2 VAL 78 0.570 3.772 -2.218 610 H THR 79 H THR 79 -3.389 1.815 -5.388 611 HA THR 79 HA THR 79 -4.352 4.112 -6.963 612 HB THR 79 HB THR 79 -5.903 1.683 -7.343 613 HG1 THR 79 1HG THR 79 -3.137 1.610 -7.936 614 1HG2 THR 79 1HG2 THR 79 -4.848 2.249 -9.761 615 2HG2 THR 79 2HG2 THR 79 -4.736 3.820 -8.969 616 3HG2 THR 79 3HG2 THR 79 -6.295 3.007 -9.099 617 H VAL 80 H VAL 80 -5.468 5.292 -5.542 618 HA VAL 80 HA VAL 80 -7.142 3.968 -3.548 619 HB VAL 80 HB VAL 80 -6.415 6.884 -3.872 620 1HG1 VAL 80 1HG1 VAL 80 -7.843 5.520 -1.595 621 2HG1 VAL 80 2HG1 VAL 80 -8.595 6.582 -2.785 622 3HG1 VAL 80 3HG1 VAL 80 -7.382 7.221 -1.675 623 1HG2 VAL 80 1HG2 VAL 80 -4.854 4.790 -2.933 624 2HG2 VAL 80 2HG2 VAL 80 -5.486 5.547 -1.472 625 3HG2 VAL 80 3HG2 VAL 80 -4.591 6.510 -2.646 626 H TYR 81 H TYR 81 -9.264 3.757 -3.760 627 HA TYR 81 HA TYR 81 -10.658 5.482 -5.692 628 1HB TYR 81 2HB TYR 81 -11.358 2.661 -4.950 629 2HB TYR 81 1HB TYR 81 -12.192 3.653 -6.112 630 HD1 TYR 81 1HD TYR 81 -9.328 1.500 -5.533 631 HD2 TYR 81 2HD TYR 81 -11.112 4.230 -8.266 632 HE1 TYR 81 1HE TYR 81 -7.854 0.670 -7.316 633 HE2 TYR 81 2HE TYR 81 -9.639 3.410 -10.055 634 HH TYR 81 HH TYR 81 -7.023 1.182 -9.414 635 H SER 82 H SER 82 -12.672 6.186 -5.190 636 HA SER 82 HA SER 82 -13.248 6.428 -2.357 637 1HB SER 82 2HB SER 82 -15.209 7.823 -3.776 638 2HB SER 82 1HB SER 82 -13.771 8.492 -3.006 639 HG SER 82 HG SER 82 -14.213 7.829 -5.697 640 H THR 83 H THR 83 -15.757 6.613 -1.945 641 HA THR 83 HA THR 83 -16.791 3.995 -2.101 642 HB THR 83 HB THR 83 -18.980 5.324 -1.419 643 HG1 THR 83 1HG THR 83 -18.440 7.307 -0.479 644 1HG2 THR 83 1HG2 THR 83 -18.282 5.377 0.885 645 2HG2 THR 83 2HG2 THR 83 -16.589 5.260 0.405 646 3HG2 THR 83 3HG2 THR 83 -17.685 3.909 0.112 647 H ASN 84 H ASN 84 -16.898 6.604 -4.317 648 HA ASN 84 HA ASN 84 -19.239 5.542 -5.701 649 1HB ASN 84 2HB ASN 84 -17.606 8.052 -6.000 650 2HB ASN 84 1HB ASN 84 -18.742 7.549 -7.248 651 1HD2 ASN 84 1HD2 ASN 84 -18.556 9.760 -5.109 652 2HD2 ASN 84 2HD2 ASN 84 -20.142 9.775 -4.426 653 H GLY 85 H GLY 85 -16.489 4.234 -5.562 654 1HA GLY 85 2HA GLY 85 -15.117 3.043 -6.961 655 2HA GLY 85 1HA GLY 85 -16.468 3.062 -8.083 656 H THR 86 H THR 86 -14.894 5.985 -6.983 657 HA THR 86 HA THR 86 -13.975 6.441 -9.735 658 HB THR 86 HB THR 86 -13.942 8.653 -7.760 659 HG1 THR 86 1HG THR 86 -15.974 8.551 -7.318 660 1HG2 THR 86 1HG2 THR 86 -14.461 8.316 -10.653 661 2HG2 THR 86 2HG2 THR 86 -13.506 9.529 -9.802 662 3HG2 THR 86 3HG2 THR 86 -15.266 9.644 -9.818 663 H ARG 87 H ARG 87 -11.899 7.379 -10.109 664 HA ARG 87 HA ARG 87 -9.864 6.271 -8.425 665 1HB ARG 87 2HB ARG 87 -9.232 8.250 -10.575 666 2HB ARG 87 1HB ARG 87 -8.364 6.796 -10.106 667 1HG ARG 87 2HG ARG 87 -9.240 5.905 -11.951 668 2HG ARG 87 1HG ARG 87 -10.724 5.768 -11.007 669 1HD ARG 87 2HD ARG 87 -10.912 8.323 -11.876 670 2HD ARG 87 1HD ARG 87 -10.041 7.586 -13.220 671 HE ARG 87 HE ARG 87 -12.787 7.190 -12.519 672 1HH1 ARG 87 1HH1 ARG 87 -10.013 5.700 -14.025 673 2HH1 ARG 87 2HH1 ARG 87 -10.961 4.639 -15.011 674 1HH2 ARG 87 1HH2 ARG 87 -14.036 5.794 -13.815 675 2HH2 ARG 87 2HH2 ARG 87 -13.245 4.692 -14.892 676 H ILE 88 H ILE 88 -9.498 7.196 -6.511 677 HA ILE 88 HA ILE 88 -9.801 10.019 -6.082 678 HB ILE 88 HB ILE 88 -8.810 7.800 -4.297 679 1HG1 ILE 88 2HG1 ILE 88 -11.231 7.849 -4.874 680 2HG1 ILE 88 1HG1 ILE 88 -10.925 8.088 -3.156 681 1HG2 ILE 88 1HG2 ILE 88 -8.559 10.682 -3.979 682 2HG2 ILE 88 2HG2 ILE 88 -7.801 9.372 -3.073 683 3HG2 ILE 88 3HG2 ILE 88 -9.423 9.916 -2.645 684 1HD1 ILE 88 1HD1 ILE 88 -10.966 10.651 -4.101 685 2HD1 ILE 88 2HD1 ILE 88 -12.321 9.812 -3.347 686 3HD1 ILE 88 3HD1 ILE 88 -12.177 9.853 -5.104 687 H LEU 89 H LEU 89 -6.990 7.868 -5.535 688 HA LEU 89 HA LEU 89 -5.263 9.910 -6.705 689 1HB LEU 89 2HB LEU 89 -5.199 10.592 -4.450 690 2HB LEU 89 1HB LEU 89 -5.112 8.942 -3.866 691 HG LEU 89 HG LEU 89 -2.855 9.852 -5.557 692 1HD1 LEU 89 1HD1 LEU 89 -1.802 10.859 -3.475 693 2HD1 LEU 89 2HD1 LEU 89 -3.440 10.969 -2.832 694 3HD1 LEU 89 3HD1 LEU 89 -3.012 11.834 -4.308 695 1HD2 LEU 89 1HD2 LEU 89 -2.083 7.937 -4.735 696 2HD2 LEU 89 2HD2 LEU 89 -3.449 7.803 -3.629 697 3HD2 LEU 89 3HD2 LEU 89 -2.010 8.699 -3.147 698 H ASN 90 H ASN 90 -3.619 9.108 -7.818 699 HA ASN 90 HA ASN 90 -2.938 6.258 -7.494 700 1HB ASN 90 2HB ASN 90 -4.065 7.391 -9.739 701 2HB ASN 90 1HB ASN 90 -2.346 7.451 -10.116 702 1HD2 ASN 90 1HD2 ASN 90 -1.562 5.130 -8.728 703 2HD2 ASN 90 2HD2 ASN 90 -2.205 3.764 -9.565 704 H LYS 91 H LYS 91 -1.024 6.226 -6.460 705 HA LYS 91 HA LYS 91 1.031 8.146 -7.364 706 1HB LYS 91 2HB LYS 91 0.595 7.026 -4.598 707 2HB LYS 91 1HB LYS 91 1.971 8.011 -5.064 708 1HG LYS 91 2HG LYS 91 -0.722 9.109 -5.603 709 2HG LYS 91 1HG LYS 91 -0.203 9.013 -3.919 710 1HD LYS 91 2HD LYS 91 0.678 11.047 -4.393 711 2HD LYS 91 1HD LYS 91 2.012 10.065 -5.003 712 1HE LYS 91 2HE LYS 91 0.960 10.148 -7.255 713 2HE LYS 91 1HE LYS 91 -0.246 11.259 -6.606 714 1HZ LYS 91 1HZ LYS 91 1.245 12.749 -7.398 715 2HZ LYS 91 2HZ LYS 91 2.574 11.721 -7.206 716 3HZ LYS 91 3HZ LYS 91 1.930 12.528 -5.867 717 H ALA 92 H ALA 92 3.233 7.497 -7.177 718 HA ALA 92 HA ALA 92 3.737 4.615 -7.078 719 1HB ALA 92 1HB ALA 92 3.417 5.620 -9.469 720 2HB ALA 92 2HB ALA 92 4.737 4.493 -9.149 721 3HB ALA 92 3HB ALA 92 5.052 6.228 -9.216 722 H LEU 93 H LEU 93 5.377 4.239 -5.720 723 HA LEU 93 HA LEU 93 7.366 6.379 -5.315 724 1HB LEU 93 2HB LEU 93 6.800 4.308 -3.235 725 2HB LEU 93 1HB LEU 93 7.470 5.916 -3.042 726 HG LEU 93 HG LEU 93 5.135 6.763 -3.725 727 1HD1 LEU 93 1HD1 LEU 93 3.872 5.041 -4.480 728 2HD1 LEU 93 2HD1 LEU 93 3.469 4.915 -2.767 729 3HD1 LEU 93 3HD1 LEU 93 4.688 3.851 -3.467 730 1HD2 LEU 93 1HD2 LEU 93 4.390 6.714 -1.450 731 2HD2 LEU 93 2HD2 LEU 93 6.147 6.860 -1.451 732 3HD2 LEU 93 3HD2 LEU 93 5.392 5.306 -1.100 733 H ASP 94 H ASP 94 9.512 5.660 -4.631 734 HA ASP 94 HA ASP 94 10.238 3.131 -5.945 735 1HB ASP 94 2HB ASP 94 11.743 5.702 -5.505 736 2HB ASP 94 1HB ASP 94 12.587 4.204 -5.885 737 H LEU 95 H LEU 95 11.145 1.522 -4.783 738 HA LEU 95 HA LEU 95 11.841 2.113 -1.983 739 1HB LEU 95 2HB LEU 95 9.854 0.487 -2.819 740 2HB LEU 95 1HB LEU 95 11.171 -0.665 -2.741 741 HG LEU 95 HG LEU 95 10.013 0.969 -0.493 742 1HD1 LEU 95 1HD1 LEU 95 10.052 -1.508 0.417 743 2HD1 LEU 95 2HD1 LEU 95 10.005 -1.880 -1.305 744 3HD1 LEU 95 3HD1 LEU 95 8.730 -0.901 -0.580 745 1HD2 LEU 95 1HD2 LEU 95 12.611 0.757 -0.587 746 2HD2 LEU 95 2HD2 LEU 95 12.301 -0.910 -0.103 747 3HD2 LEU 95 3HD2 LEU 95 11.751 0.424 0.914 748 H ARG 96 H ARG 96 14.047 2.328 -2.102 749 HA ARG 96 HA ARG 96 15.587 0.285 -3.510 750 1HB ARG 96 2HB ARG 96 17.147 2.345 -2.123 751 2HB ARG 96 1HB ARG 96 17.194 1.812 -3.790 752 1HG ARG 96 2HG ARG 96 15.216 3.766 -2.659 753 2HG ARG 96 1HG ARG 96 16.621 4.163 -3.642 754 1HD ARG 96 2HD ARG 96 14.032 2.947 -4.425 755 2HD ARG 96 1HD ARG 96 15.026 4.129 -5.272 756 HE ARG 96 HE ARG 96 15.114 1.285 -5.558 757 1HH1 ARG 96 1HH1 ARG 96 17.008 4.206 -5.787 758 2HH1 ARG 96 2HH1 ARG 96 18.137 3.536 -6.916 759 1HH2 ARG 96 1HH2 ARG 96 16.597 0.401 -7.044 760 2HH2 ARG 96 2HH2 ARG 96 17.903 1.375 -7.631 761 H ILE 97 H ILE 97 16.048 -1.481 -2.423 762 HA ILE 97 HA ILE 97 16.534 -1.290 0.473 763 HB ILE 97 HB ILE 97 15.937 -3.850 -0.978 764 1HG1 ILE 97 2HG1 ILE 97 13.782 -2.270 0.390 765 2HG1 ILE 97 1HG1 ILE 97 14.170 -1.944 -1.294 766 1HG2 ILE 97 1HG2 ILE 97 15.705 -4.772 1.074 767 2HG2 ILE 97 2HG2 ILE 97 15.039 -3.301 1.782 768 3HG2 ILE 97 3HG2 ILE 97 16.777 -3.448 1.527 769 1HD1 ILE 97 1HD1 ILE 97 13.409 -4.650 -0.234 770 2HD1 ILE 97 2HD1 ILE 97 13.619 -4.181 -1.918 771 3HD1 ILE 97 3HD1 ILE 97 12.286 -3.512 -0.978 772 H LEU 98 H LEU 98 18.618 -1.333 0.998 773 HA LEU 98 HA LEU 98 20.672 -2.224 -0.701 774 1HB LEU 98 2HB LEU 98 20.376 -1.140 2.023 775 2HB LEU 98 1HB LEU 98 21.796 -2.115 1.755 776 HG LEU 98 HG LEU 98 21.041 0.280 0.100 777 1HD1 LEU 98 1HD1 LEU 98 22.293 1.623 1.422 778 2HD1 LEU 98 2HD1 LEU 98 23.401 0.329 1.878 779 3HD1 LEU 98 3HD1 LEU 98 21.821 0.450 2.650 780 1HD2 LEU 98 1HD2 LEU 98 22.817 -0.133 -1.208 781 2HD2 LEU 98 2HD2 LEU 98 22.665 -1.784 -0.607 782 3HD2 LEU 98 3HD2 LEU 98 23.813 -0.676 0.142 783 H GLU 99 H GLU 99 21.234 -4.246 -1.096 784 HA GLU 99 HA GLU 99 20.247 -6.427 0.500 785 1HB GLU 99 2HB GLU 99 22.050 -6.346 -1.923 786 2HB GLU 99 1HB GLU 99 21.510 -7.833 -1.154 787 1HG GLU 99 2HG GLU 99 19.430 -7.680 -2.005 788 2HG GLU 99 1HG GLU 99 19.395 -5.921 -1.893
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