NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16537 | 2aby | 6755 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.861 0.910 -1.774 3 1HB MET 1 2HB MET 1 4.133 -0.061 -1.878 4 2HB MET 1 3HB MET 1 3.861 0.864 -0.407 5 1HG MET 1 2HG MET 1 3.233 -1.466 0.589 6 2HG MET 1 3HG MET 1 4.176 -2.073 -0.770 7 1HE MET 1 1HE MET 1 7.208 -2.621 0.977 8 2HE MET 1 2HE MET 1 5.829 -2.957 2.024 9 3HE MET 1 3HE MET 1 5.709 -3.246 0.287 10 H GLN 2 H GLN 2 1.733 -0.041 -3.750 11 HA GLN 2 HA GLN 2 1.865 -2.847 -4.175 12 1HB GLN 2 2HB GLN 2 -0.505 -2.233 -3.111 13 2HB GLN 2 3HB GLN 2 -0.871 -1.853 -4.788 14 1HG GLN 2 2HG GLN 2 -1.504 -4.141 -4.167 15 2HG GLN 2 3HG GLN 2 -0.317 -4.091 -5.469 16 1HE2 GLN 2 1HE2 GLN 2 1.488 -5.232 -5.249 17 2HE2 GLN 2 2HE2 GLN 2 2.017 -6.001 -3.795 18 H LYS 3 H LYS 3 1.614 -3.428 -6.411 19 HA LYS 3 HA LYS 3 0.951 -1.603 -8.445 20 1HB LYS 3 2HB LYS 3 3.338 -1.356 -9.346 21 2HB LYS 3 3HB LYS 3 2.873 -0.334 -7.993 22 1HG LYS 3 2HG LYS 3 4.408 -1.227 -6.645 23 2HG LYS 3 3HG LYS 3 4.046 -2.873 -7.171 24 1HD LYS 3 2HD LYS 3 5.667 -0.901 -8.777 25 2HD LYS 3 3HD LYS 3 6.367 -2.108 -7.695 26 1HE LYS 3 2HE LYS 3 5.195 -3.867 -9.018 27 2HE LYS 3 3HE LYS 3 4.691 -2.614 -10.151 28 1HZ LYS 3 1HZ LYS 3 6.723 -3.862 -10.810 29 2HZ LYS 3 2HZ LYS 3 7.527 -3.178 -9.489 30 3HZ LYS 3 3HZ LYS 3 6.939 -2.186 -10.727 31 H GLY 4 H GLY 4 2.251 -2.393 -10.599 32 1HA GLY 4 2HA GLY 4 2.808 -4.165 -11.993 33 2HA GLY 4 3HA GLY 4 2.756 -5.238 -10.602 34 H LEU 5 H LEU 5 0.008 -3.254 -10.989 35 HA LEU 5 HA LEU 5 -1.432 -5.313 -12.493 36 1HB LEU 5 2HB LEU 5 -1.793 -4.623 -9.670 37 2HB LEU 5 3HB LEU 5 -3.282 -4.605 -10.613 38 HG LEU 5 HG LEU 5 -3.055 -6.750 -9.573 39 1HD1 LEU 5 1HD1 LEU 5 -3.575 -6.407 -12.178 40 2HD1 LEU 5 2HD1 LEU 5 -3.618 -7.979 -11.381 41 3HD1 LEU 5 3HD1 LEU 5 -2.191 -7.493 -12.296 42 1HD2 LEU 5 1HD2 LEU 5 -0.339 -6.349 -9.834 43 2HD2 LEU 5 2HD2 LEU 5 -0.671 -7.661 -10.965 44 3HD2 LEU 5 3HD2 LEU 5 -1.124 -7.823 -9.267 45 H GLU 6 H GLU 6 -3.533 -4.581 -13.287 46 HA GLU 6 HA GLU 6 -3.482 -1.701 -13.847 47 1HB GLU 6 2HB GLU 6 -5.177 -3.733 -15.279 48 2HB GLU 6 3HB GLU 6 -4.675 -2.142 -15.835 49 1HG GLU 6 2HG GLU 6 -3.105 -3.210 -16.985 50 2HG GLU 6 3HG GLU 6 -2.284 -3.421 -15.439 51 H ILE 7 H ILE 7 -4.933 -0.401 -12.950 52 HA ILE 7 HA ILE 7 -7.558 -1.453 -12.203 53 HB ILE 7 HB ILE 7 -7.261 0.046 -10.057 54 1HG1 ILE 7 2HG1 ILE 7 -4.825 0.510 -10.971 55 2HG1 ILE 7 3HG1 ILE 7 -5.125 0.343 -9.244 56 1HG2 ILE 7 1HG2 ILE 7 -6.439 -2.786 -10.527 57 2HG2 ILE 7 2HG2 ILE 7 -6.279 -2.079 -8.920 58 3HG2 ILE 7 3HG2 ILE 7 -7.860 -2.153 -9.696 59 1HD1 ILE 7 1HD1 ILE 7 -3.145 -0.910 -10.386 60 2HD1 ILE 7 2HD1 ILE 7 -4.098 -1.698 -9.128 61 3HD1 ILE 7 3HD1 ILE 7 -4.399 -2.069 -10.826 62 H ALA 8 H ALA 8 -9.206 0.078 -12.161 63 HA ALA 8 HA ALA 8 -8.466 2.783 -13.068 64 1HB ALA 8 1HB ALA 8 -9.448 1.229 -14.843 65 2HB ALA 8 2HB ALA 8 -10.972 1.400 -13.971 66 3HB ALA 8 3HB ALA 8 -10.184 2.821 -14.656 67 H PHE 9 H PHE 9 -9.701 4.490 -12.301 68 HA PHE 9 HA PHE 9 -11.660 3.820 -10.206 69 1HB PHE 9 2HB PHE 9 -9.366 4.690 -9.422 70 2HB PHE 9 3HB PHE 9 -9.878 6.243 -10.075 71 HD1 PHE 9 HD1 PHE 9 -10.374 7.660 -8.339 72 HD2 PHE 9 HD2 PHE 9 -11.678 3.613 -8.139 73 HE1 PHE 9 HE1 PHE 9 -11.563 8.150 -6.241 74 HE2 PHE 9 HE2 PHE 9 -12.869 4.097 -6.041 75 HZ PHE 9 HZ PHE 9 -12.814 6.368 -5.090 76 H GLN 10 H GLN 10 -13.531 4.965 -10.179 77 HA GLN 10 HA GLN 10 -13.882 6.949 -12.324 78 1HB GLN 10 2HB GLN 10 -15.311 5.084 -12.710 79 2HB GLN 10 3HB GLN 10 -15.826 5.043 -11.029 80 1HG GLN 10 2HG GLN 10 -16.373 7.515 -12.565 81 2HG GLN 10 3HG GLN 10 -17.319 6.080 -12.956 82 1HE2 GLN 10 1HE2 GLN 10 -18.493 5.058 -11.215 83 2HE2 GLN 10 2HE2 GLN 10 -19.075 6.018 -9.902 84 H THR 11 H THR 11 -14.953 8.878 -11.911 85 HA THR 11 HA THR 11 -15.862 9.473 -9.220 86 HB THR 11 HB THR 11 -13.684 10.107 -8.744 87 HG1 THR 11 HG1 THR 11 -14.500 12.533 -9.949 88 1HG2 THR 11 1HG2 THR 11 -12.539 9.763 -10.762 89 2HG2 THR 11 2HG2 THR 11 -12.332 11.484 -10.439 90 3HG2 THR 11 3HG2 THR 11 -13.521 10.946 -11.625 91 H ILE 12 H ILE 12 -17.723 10.501 -9.480 92 HA ILE 12 HA ILE 12 -17.988 12.385 -11.731 93 HB ILE 12 HB ILE 12 -20.506 11.829 -11.502 94 1HG1 ILE 12 2HG1 ILE 12 -20.830 9.400 -10.854 95 2HG1 ILE 12 3HG1 ILE 12 -19.216 9.453 -10.154 96 1HG2 ILE 12 1HG2 ILE 12 -18.719 9.703 -12.663 97 2HG2 ILE 12 2HG2 ILE 12 -20.332 10.167 -13.199 98 3HG2 ILE 12 3HG2 ILE 12 -18.979 11.278 -13.412 99 1HD1 ILE 12 1HD1 ILE 12 -21.545 10.013 -8.846 100 2HD1 ILE 12 2HD1 ILE 12 -19.932 10.504 -8.328 101 3HD1 ILE 12 3HD1 ILE 12 -20.939 11.619 -9.250 102 H ASN 13 H ASN 13 -18.178 11.891 -8.372 103 HA ASN 13 HA ASN 13 -18.501 14.585 -7.745 104 1HB ASN 13 2HB ASN 13 -20.930 13.536 -8.531 105 2HB ASN 13 3HB ASN 13 -20.997 13.401 -6.776 106 1HD2 ASN 13 1HD2 ASN 13 -19.644 15.796 -9.019 107 2HD2 ASN 13 2HD2 ASN 13 -20.462 17.152 -8.330 108 H GLY 14 H GLY 14 -19.710 14.542 -5.289 109 1HA GLY 14 2HA GLY 14 -19.514 13.796 -3.111 110 2HA GLY 14 3HA GLY 14 -18.887 12.277 -3.732 111 H LEU 15 H LEU 15 -17.571 15.490 -4.352 112 HA LEU 15 HA LEU 15 -15.470 16.325 -4.059 113 1HB LEU 15 2HB LEU 15 -15.728 14.915 -1.407 114 2HB LEU 15 3HB LEU 15 -14.596 16.211 -1.787 115 HG LEU 15 HG LEU 15 -16.264 17.277 -0.572 116 1HD1 LEU 15 1HD1 LEU 15 -15.790 18.140 -3.001 117 2HD1 LEU 15 2HD1 LEU 15 -17.049 18.878 -2.011 118 3HD1 LEU 15 3HD1 LEU 15 -17.481 17.706 -3.256 119 1HD2 LEU 15 1HD2 LEU 15 -17.843 15.114 -1.312 120 2HD2 LEU 15 2HD2 LEU 15 -18.659 16.517 -2.003 121 3HD2 LEU 15 3HD2 LEU 15 -18.312 16.461 -0.274 122 H ASP 16 H ASP 16 -15.694 13.674 -5.276 123 HA ASP 16 HA ASP 16 -13.687 11.934 -4.349 124 1HB ASP 16 2HB ASP 16 -15.163 12.285 -6.920 125 2HB ASP 16 3HB ASP 16 -13.725 11.268 -6.916 126 H GLU 17 H GLU 17 -13.561 14.840 -6.238 127 HA GLU 17 HA GLU 17 -11.200 14.603 -7.625 128 1HB GLU 17 2HB GLU 17 -10.960 17.076 -7.314 129 2HB GLU 17 3HB GLU 17 -12.543 16.567 -7.885 130 1HG GLU 17 2HG GLU 17 -13.464 16.819 -5.665 131 2HG GLU 17 3HG GLU 17 -11.874 17.234 -5.028 132 H SER 18 H SER 18 -11.669 15.161 -4.192 133 HA SER 18 HA SER 18 -9.015 15.864 -3.548 134 1HB SER 18 2HB SER 18 -11.257 14.665 -1.921 135 2HB SER 18 3HB SER 18 -9.688 15.060 -1.219 136 HG SER 18 HG SER 18 -11.746 16.712 -1.959 137 H LEU 19 H LEU 19 -10.694 12.742 -3.586 138 HA LEU 19 HA LEU 19 -8.528 11.213 -2.614 139 1HB LEU 19 2HB LEU 19 -11.093 10.674 -2.983 140 2HB LEU 19 3HB LEU 19 -10.488 10.016 -4.502 141 HG LEU 19 HG LEU 19 -9.960 9.085 -1.701 142 1HD1 LEU 19 1HD1 LEU 19 -10.755 7.629 -4.217 143 2HD1 LEU 19 2HD1 LEU 19 -11.870 8.170 -2.963 144 3HD1 LEU 19 3HD1 LEU 19 -10.650 6.951 -2.592 145 1HD2 LEU 19 1HD2 LEU 19 -8.330 8.464 -4.161 146 2HD2 LEU 19 2HD2 LEU 19 -8.253 7.560 -2.649 147 3HD2 LEU 19 3HD2 LEU 19 -7.770 9.256 -2.688 148 H VAL 20 H VAL 20 -9.604 12.020 -5.888 149 HA VAL 20 HA VAL 20 -7.791 10.416 -7.300 150 HB VAL 20 HB VAL 20 -8.806 13.100 -8.228 151 1HG1 VAL 20 1HG1 VAL 20 -7.198 12.265 -9.738 152 2HG1 VAL 20 2HG1 VAL 20 -7.833 10.622 -9.627 153 3HG1 VAL 20 3HG1 VAL 20 -8.764 11.875 -10.448 154 1HG2 VAL 20 1HG2 VAL 20 -10.235 10.564 -7.755 155 2HG2 VAL 20 2HG2 VAL 20 -10.842 12.220 -7.794 156 3HG2 VAL 20 3HG2 VAL 20 -10.551 11.352 -9.301 157 H GLN 21 H GLN 21 -7.555 13.847 -6.374 158 HA GLN 21 HA GLN 21 -4.940 14.199 -7.406 159 1HB GLN 21 2HB GLN 21 -6.613 15.756 -5.448 160 2HB GLN 21 3HB GLN 21 -4.970 16.239 -5.847 161 1HG GLN 21 2HG GLN 21 -7.049 15.810 -7.963 162 2HG GLN 21 3HG GLN 21 -6.878 17.347 -7.117 163 1HE2 GLN 21 1HE2 GLN 21 -6.521 17.939 -9.461 164 2HE2 GLN 21 2HE2 GLN 21 -4.886 17.926 -10.020 165 H ALA 22 H ALA 22 -6.188 13.448 -4.182 166 HA ALA 22 HA ALA 22 -3.733 13.575 -2.811 167 1HB ALA 22 1HB ALA 22 -4.938 12.018 -1.172 168 2HB ALA 22 2HB ALA 22 -5.641 13.609 -1.465 169 3HB ALA 22 3HB ALA 22 -6.329 12.184 -2.244 170 H LEU 23 H LEU 23 -5.497 10.762 -4.111 171 HA LEU 23 HA LEU 23 -3.538 8.854 -3.466 172 1HB LEU 23 2HB LEU 23 -4.815 7.343 -4.623 173 2HB LEU 23 3HB LEU 23 -6.005 8.588 -4.248 174 HG LEU 23 HG LEU 23 -5.336 9.477 -6.637 175 1HD1 LEU 23 1HD1 LEU 23 -3.965 8.169 -7.784 176 2HD1 LEU 23 2HD1 LEU 23 -5.183 6.895 -7.733 177 3HD1 LEU 23 3HD1 LEU 23 -3.944 6.981 -6.481 178 1HD2 LEU 23 1HD2 LEU 23 -7.144 8.032 -7.581 179 2HD2 LEU 23 2HD2 LEU 23 -7.572 8.853 -6.080 180 3HD2 LEU 23 3HD2 LEU 23 -7.148 7.140 -6.059 181 H ALA 24 H ALA 24 -3.943 10.963 -6.239 182 HA ALA 24 HA ALA 24 -2.012 9.706 -7.901 183 1HB ALA 24 1HB ALA 24 -2.049 11.961 -9.089 184 2HB ALA 24 2HB ALA 24 -3.570 11.070 -9.003 185 3HB ALA 24 3HB ALA 24 -3.280 12.428 -7.915 186 H GLY 25 H GLY 25 -1.860 12.221 -5.448 187 1HA GLY 25 2HA GLY 25 0.822 13.020 -6.047 188 2HA GLY 25 3HA GLY 25 -0.086 13.424 -4.597 189 H VAL 26 H VAL 26 -0.628 10.851 -3.647 190 HA VAL 26 HA VAL 26 1.798 10.274 -2.297 191 HB VAL 26 HB VAL 26 -0.334 9.879 -1.209 192 1HG1 VAL 26 1HG1 VAL 26 -1.882 8.193 -1.902 193 2HG1 VAL 26 2HG1 VAL 26 -1.550 9.228 -3.292 194 3HG1 VAL 26 3HG1 VAL 26 -0.792 7.640 -3.173 195 1HG2 VAL 26 1HG2 VAL 26 0.078 7.640 -0.327 196 2HG2 VAL 26 2HG2 VAL 26 1.151 7.294 -1.683 197 3HG2 VAL 26 3HG2 VAL 26 1.588 8.535 -0.508 198 H THR 27 H THR 27 0.041 8.668 -4.915 199 HA THR 27 HA THR 27 1.753 6.413 -5.083 200 HB THR 27 HB THR 27 -0.535 6.437 -6.027 201 HG1 THR 27 HG1 THR 27 0.031 5.203 -7.797 202 1HG2 THR 27 1HG2 THR 27 -1.100 7.616 -7.990 203 2HG2 THR 27 2HG2 THR 27 0.581 8.040 -8.316 204 3HG2 THR 27 3HG2 THR 27 -0.273 8.792 -6.969 205 H ALA 28 H ALA 28 1.648 9.506 -6.810 206 HA ALA 28 HA ALA 28 3.743 8.930 -8.618 207 1HB ALA 28 1HB ALA 28 2.492 11.480 -7.656 208 2HB ALA 28 2HB ALA 28 3.863 11.486 -8.765 209 3HB ALA 28 3HB ALA 28 2.354 10.703 -9.233 210 H SER 29 H SER 29 3.678 10.418 -5.414 211 HA SER 29 HA SER 29 6.467 11.070 -5.419 212 1HB SER 29 2HB SER 29 4.671 12.234 -4.052 213 2HB SER 29 3HB SER 29 4.682 10.823 -2.994 214 HG SER 29 HG SER 29 6.622 11.359 -2.264 215 H ASP 30 H ASP 30 4.511 8.384 -4.303 216 HA ASP 30 HA ASP 30 6.610 7.123 -2.820 217 1HB ASP 30 2HB ASP 30 4.214 6.738 -2.330 218 2HB ASP 30 3HB ASP 30 4.040 5.938 -3.889 219 H PHE 31 H PHE 31 5.677 7.226 -6.129 220 HA PHE 31 HA PHE 31 7.490 4.986 -6.737 221 1HB PHE 31 2HB PHE 31 5.030 6.016 -8.107 222 2HB PHE 31 3HB PHE 31 6.248 5.144 -9.032 223 HD1 PHE 31 HD1 PHE 31 4.690 4.708 -5.666 224 HD2 PHE 31 HD2 PHE 31 5.642 2.977 -9.436 225 HE1 PHE 31 HE1 PHE 31 3.715 2.573 -4.928 226 HE2 PHE 31 HE2 PHE 31 4.667 0.840 -8.705 227 HZ PHE 31 HZ PHE 31 3.701 0.636 -6.448 228 HA PRO 32 HA PRO 32 9.607 8.867 -8.153 229 1HB PRO 32 2HB PRO 32 12.052 8.150 -7.217 230 2HB PRO 32 3HB PRO 32 10.847 8.978 -6.222 231 1HG PRO 32 2HG PRO 32 11.530 6.065 -6.339 232 2HG PRO 32 3HG PRO 32 11.215 7.085 -4.923 233 1HD PRO 32 2HD PRO 32 9.353 5.414 -5.960 234 2HD PRO 32 3HD PRO 32 8.928 6.952 -5.180 235 H ASP 33 H ASP 33 10.033 5.471 -8.594 236 HA ASP 33 HA ASP 33 12.143 5.525 -10.481 237 1HB ASP 33 2HB ASP 33 9.935 3.484 -10.137 238 2HB ASP 33 3HB ASP 33 11.422 3.243 -11.050 239 H LEU 34 H LEU 34 8.941 6.562 -10.678 240 HA LEU 34 HA LEU 34 7.677 7.387 -12.380 241 1HB LEU 34 2HB LEU 34 10.062 7.015 -14.171 242 2HB LEU 34 3HB LEU 34 8.734 8.160 -14.353 243 HG LEU 34 HG LEU 34 10.818 8.277 -12.174 244 1HD1 LEU 34 1HD1 LEU 34 12.177 9.217 -13.648 245 2HD1 LEU 34 2HD1 LEU 34 10.980 10.482 -13.922 246 3HD1 LEU 34 3HD1 LEU 34 10.973 9.030 -14.922 247 1HD2 LEU 34 1HD2 LEU 34 8.768 9.298 -11.469 248 2HD2 LEU 34 2HD2 LEU 34 8.611 10.155 -13.003 249 3HD2 LEU 34 3HD2 LEU 34 9.910 10.576 -11.886 250 H ASP 35 H ASP 35 8.314 4.391 -11.976 251 HA ASP 35 HA ASP 35 7.820 3.225 -14.555 252 1HB ASP 35 2HB ASP 35 9.101 2.085 -12.726 253 2HB ASP 35 3HB ASP 35 7.589 1.918 -11.838 254 H ILE 36 H ILE 36 5.888 4.822 -12.372 255 HA ILE 36 HA ILE 36 3.516 3.235 -12.559 256 HB ILE 36 HB ILE 36 3.765 4.705 -10.669 257 1HG1 ILE 36 2HG1 ILE 36 1.614 5.885 -12.432 258 2HG1 ILE 36 3HG1 ILE 36 1.478 4.303 -11.673 259 1HG2 ILE 36 1HG2 ILE 36 3.341 7.275 -11.806 260 2HG2 ILE 36 2HG2 ILE 36 4.708 6.703 -10.850 261 3HG2 ILE 36 3HG2 ILE 36 4.727 6.533 -12.605 262 1HD1 ILE 36 1HD1 ILE 36 0.761 5.228 -9.802 263 2HD1 ILE 36 2HD1 ILE 36 2.201 6.242 -9.706 264 3HD1 ILE 36 3HD1 ILE 36 0.789 6.798 -10.603 265 H LYS 37 H LYS 37 2.264 3.041 -14.282 266 HA LYS 37 HA LYS 37 2.311 5.160 -16.319 267 1HB LYS 37 2HB LYS 37 1.194 2.399 -16.731 268 2HB LYS 37 3HB LYS 37 1.761 3.544 -17.939 269 1HG LYS 37 2HG LYS 37 3.453 1.995 -15.989 270 2HG LYS 37 3HG LYS 37 3.337 1.742 -17.733 271 1HD LYS 37 2HD LYS 37 4.385 4.227 -16.376 272 2HD LYS 37 3HD LYS 37 5.370 2.972 -17.131 273 1HE LYS 37 2HE LYS 37 3.408 4.822 -18.476 274 2HE LYS 37 3HE LYS 37 5.160 4.795 -18.671 275 1HZ LYS 37 1HZ LYS 37 4.420 3.668 -20.522 276 2HZ LYS 37 2HZ LYS 37 3.155 2.901 -19.702 277 3HZ LYS 37 3HZ LYS 37 4.751 2.392 -19.461 278 H TYR 38 H TYR 38 0.829 6.319 -14.785 279 HA TYR 38 HA TYR 38 -1.954 5.469 -15.248 280 1HB TYR 38 2HB TYR 38 -2.576 6.038 -13.103 281 2HB TYR 38 3HB TYR 38 -0.935 5.472 -12.815 282 HD1 TYR 38 HD1 TYR 38 -3.150 7.909 -11.900 283 HD2 TYR 38 HD2 TYR 38 0.856 7.523 -13.281 284 HE1 TYR 38 HE1 TYR 38 -2.593 10.072 -10.871 285 HE2 TYR 38 HE2 TYR 38 1.425 9.684 -12.254 286 HH TYR 38 HH TYR 38 0.715 11.354 -10.965 287 H ASN 39 H ASN 39 -3.468 7.467 -14.844 288 HA ASN 39 HA ASN 39 -2.580 10.066 -15.370 289 1HB ASN 39 2HB ASN 39 -2.727 8.352 -17.705 290 2HB ASN 39 3HB ASN 39 -3.828 9.719 -17.849 291 1HD2 ASN 39 1HD2 ASN 39 -2.757 11.842 -17.053 292 2HD2 ASN 39 2HD2 ASN 39 -1.182 12.145 -17.696 293 H ILE 40 H ILE 40 -4.386 11.539 -15.971 294 HA ILE 40 HA ILE 40 -7.004 10.387 -15.265 295 HB ILE 40 HB ILE 40 -6.902 13.141 -14.511 296 1HG1 ILE 40 2HG1 ILE 40 -4.709 11.407 -13.359 297 2HG1 ILE 40 3HG1 ILE 40 -4.505 12.903 -14.262 298 1HG2 ILE 40 1HG2 ILE 40 -7.066 10.693 -12.763 299 2HG2 ILE 40 2HG2 ILE 40 -7.682 12.306 -12.409 300 3HG2 ILE 40 3HG2 ILE 40 -8.420 11.343 -13.687 301 1HD1 ILE 40 1HD1 ILE 40 -5.111 12.475 -11.438 302 2HD1 ILE 40 2HD1 ILE 40 -4.336 13.839 -12.245 303 3HD1 ILE 40 3HD1 ILE 40 -6.095 13.716 -12.215 304 H PHE 41 H PHE 41 -8.566 10.778 -16.688 305 HA PHE 41 HA PHE 41 -8.301 13.100 -18.475 306 1HB PHE 41 2HB PHE 41 -9.543 11.466 -20.146 307 2HB PHE 41 3HB PHE 41 -7.788 11.460 -20.005 308 HD1 PHE 41 HD1 PHE 41 -6.628 9.615 -18.982 309 HD2 PHE 41 HD2 PHE 41 -10.876 9.655 -19.240 310 HE1 PHE 41 HE1 PHE 41 -6.681 7.218 -18.428 311 HE2 PHE 41 HE2 PHE 41 -10.936 7.259 -18.685 312 HZ PHE 41 HZ PHE 41 -8.837 6.037 -18.277 313 H LEU 42 H LEU 42 -10.246 14.040 -19.190 314 HA LEU 42 HA LEU 42 -12.577 13.335 -17.538 315 1HB LEU 42 2HB LEU 42 -11.721 15.552 -17.093 316 2HB LEU 42 3HB LEU 42 -11.796 15.955 -18.807 317 HG LEU 42 HG LEU 42 -13.611 16.879 -17.233 318 1HD1 LEU 42 1HD1 LEU 42 -13.532 16.571 -19.859 319 2HD1 LEU 42 2HD1 LEU 42 -14.979 17.145 -19.033 320 3HD1 LEU 42 3HD1 LEU 42 -14.855 15.455 -19.521 321 1HD2 LEU 42 1HD2 LEU 42 -13.919 14.327 -16.463 322 2HD2 LEU 42 2HD2 LEU 42 -15.127 14.398 -17.746 323 3HD2 LEU 42 3HD2 LEU 42 -15.211 15.525 -16.391 324 H VAL 43 H VAL 43 -14.338 12.581 -18.511 325 HA VAL 43 HA VAL 43 -14.506 12.783 -21.440 326 HB VAL 43 HB VAL 43 -15.496 10.735 -21.534 327 1HG1 VAL 43 1HG1 VAL 43 -13.297 10.756 -20.061 328 2HG1 VAL 43 2HG1 VAL 43 -14.406 10.136 -18.836 329 3HG1 VAL 43 3HG1 VAL 43 -14.199 9.271 -20.360 330 1HG2 VAL 43 1HG2 VAL 43 -17.496 11.180 -20.360 331 2HG2 VAL 43 2HG2 VAL 43 -16.795 9.758 -19.589 332 3HG2 VAL 43 3HG2 VAL 43 -16.648 11.339 -18.822 333 H ASP 44 H ASP 44 -16.288 13.608 -22.435 334 HA ASP 44 HA ASP 44 -18.526 14.490 -20.749 335 1HB ASP 44 2HB ASP 44 -18.585 16.620 -22.098 336 2HB ASP 44 3HB ASP 44 -17.214 16.472 -21.002 337 H LEU 45 H LEU 45 -20.114 13.217 -21.494 338 HA LEU 45 HA LEU 45 -20.952 13.547 -24.249 339 1HB LEU 45 2HB LEU 45 -19.422 11.321 -23.528 340 2HB LEU 45 3HB LEU 45 -21.083 10.739 -23.604 341 HG LEU 45 HG LEU 45 -19.807 10.431 -25.709 342 1HD1 LEU 45 1HD1 LEU 45 -21.666 10.709 -26.959 343 2HD1 LEU 45 2HD1 LEU 45 -21.899 12.378 -26.443 344 3HD1 LEU 45 3HD1 LEU 45 -22.396 11.053 -25.391 345 1HD2 LEU 45 1HD2 LEU 45 -19.167 12.267 -27.060 346 2HD2 LEU 45 2HD2 LEU 45 -18.518 12.582 -25.451 347 3HD2 LEU 45 3HD2 LEU 45 -19.971 13.422 -25.996 348 H TYR 46 H TYR 46 -23.121 12.791 -24.634 349 HA TYR 46 HA TYR 46 -25.317 12.543 -24.098 350 1HB TYR 46 2HB TYR 46 -24.290 11.261 -21.559 351 2HB TYR 46 3HB TYR 46 -25.905 11.094 -22.237 352 HD1 TYR 46 HD1 TYR 46 -22.580 9.784 -22.176 353 HD2 TYR 46 HD2 TYR 46 -26.123 9.975 -24.525 354 HE1 TYR 46 HE1 TYR 46 -21.834 7.817 -23.451 355 HE2 TYR 46 HE2 TYR 46 -25.387 8.008 -25.805 356 HH TYR 46 HH TYR 46 -22.298 6.401 -25.091 357 H GLY 47 H GLY 47 -23.892 14.954 -23.352 358 1HA GLY 47 2HA GLY 47 -24.400 16.929 -22.291 359 2HA GLY 47 3HA GLY 47 -25.910 16.187 -21.784 360 H GLN 48 H GLN 48 -23.324 14.287 -20.838 361 HA GLN 48 HA GLN 48 -23.114 15.629 -18.231 362 1HB GLN 48 2HB GLN 48 -23.477 12.654 -18.627 363 2HB GLN 48 3HB GLN 48 -23.291 13.483 -17.087 364 1HG GLN 48 2HG GLN 48 -25.559 14.029 -18.979 365 2HG GLN 48 3HG GLN 48 -25.631 12.812 -17.706 366 1HE2 GLN 48 1HE2 GLN 48 -25.040 13.649 -15.496 367 2HE2 GLN 48 2HE2 GLN 48 -25.668 15.198 -15.059 368 H LYS 49 H LYS 49 -21.108 15.742 -17.411 369 HA LYS 49 HA LYS 49 -18.973 14.342 -18.875 370 1HB LYS 49 2HB LYS 49 -17.504 16.146 -17.809 371 2HB LYS 49 3HB LYS 49 -18.598 16.653 -19.089 372 1HG LYS 49 2HG LYS 49 -19.816 16.839 -16.463 373 2HG LYS 49 3HG LYS 49 -18.344 17.803 -16.598 374 1HD LYS 49 2HD LYS 49 -20.151 17.996 -18.903 375 2HD LYS 49 3HD LYS 49 -20.817 18.620 -17.392 376 1HE LYS 49 2HE LYS 49 -18.726 19.964 -17.124 377 2HE LYS 49 3HE LYS 49 -18.249 19.444 -18.739 378 1HZ LYS 49 1HZ LYS 49 -19.995 21.534 -17.998 379 2HZ LYS 49 2HZ LYS 49 -20.838 20.413 -18.943 380 3HZ LYS 49 3HZ LYS 49 -19.423 21.125 -19.537 381 H TYR 50 H TYR 50 -17.715 12.916 -17.846 382 HA TYR 50 HA TYR 50 -17.813 12.838 -14.904 383 1HB TYR 50 2HB TYR 50 -17.662 10.376 -16.641 384 2HB TYR 50 3HB TYR 50 -17.959 10.460 -14.908 385 HD1 TYR 50 HD1 TYR 50 -19.562 9.340 -17.510 386 HD2 TYR 50 HD2 TYR 50 -20.023 12.567 -14.775 387 HE1 TYR 50 HE1 TYR 50 -21.986 9.342 -17.930 388 HE2 TYR 50 HE2 TYR 50 -22.448 12.577 -15.187 389 HH TYR 50 HH TYR 50 -24.186 10.809 -15.993 390 H PHE 51 H PHE 51 -15.943 12.062 -13.852 391 HA PHE 51 HA PHE 51 -13.511 12.356 -15.464 392 1HB PHE 51 2HB PHE 51 -14.060 12.644 -12.515 393 2HB PHE 51 3HB PHE 51 -12.422 12.546 -13.153 394 HD1 PHE 51 HD1 PHE 51 -15.535 14.529 -13.206 395 HD2 PHE 51 HD2 PHE 51 -11.388 14.409 -14.160 396 HE1 PHE 51 HE1 PHE 51 -15.571 16.948 -13.655 397 HE2 PHE 51 HE2 PHE 51 -11.418 16.828 -14.609 398 HZ PHE 51 HZ PHE 51 -13.511 18.101 -14.356 399 H ARG 52 H ARG 52 -12.156 10.707 -15.806 400 HA ARG 52 HA ARG 52 -12.444 8.283 -14.167 401 1HB ARG 52 2HB ARG 52 -11.925 8.119 -17.121 402 2HB ARG 52 3HB ARG 52 -12.489 6.860 -16.031 403 1HG ARG 52 2HG ARG 52 -14.271 9.177 -16.250 404 2HG ARG 52 3HG ARG 52 -14.066 8.250 -17.737 405 1HD ARG 52 2HD ARG 52 -15.345 6.600 -16.965 406 2HD ARG 52 3HD ARG 52 -14.409 6.499 -15.474 407 HE ARG 52 HE ARG 52 -15.908 8.611 -14.945 408 1HH1 ARG 52 2HH1 ARG 52 -16.785 5.579 -16.416 409 2HH1 ARG 52 1HH1 ARG 52 -18.413 5.614 -15.824 410 1HH2 ARG 52 2HH2 ARG 52 -18.049 8.668 -14.160 411 2HH2 ARG 52 1HH2 ARG 52 -19.131 7.371 -14.542 412 H ILE 53 H ILE 53 -10.573 7.265 -13.631 413 HA ILE 53 HA ILE 53 -8.082 8.393 -14.731 414 HB ILE 53 HB ILE 53 -7.084 8.480 -12.676 415 1HG1 ILE 53 2HG1 ILE 53 -8.215 7.131 -10.696 416 2HG1 ILE 53 3HG1 ILE 53 -8.866 6.173 -12.021 417 1HG2 ILE 53 1HG2 ILE 53 -9.335 9.800 -12.810 418 2HG2 ILE 53 2HG2 ILE 53 -9.839 8.675 -11.550 419 3HG2 ILE 53 3HG2 ILE 53 -8.442 9.719 -11.291 420 1HD1 ILE 53 1HD1 ILE 53 -6.985 5.005 -11.915 421 2HD1 ILE 53 2HD1 ILE 53 -6.187 6.404 -12.634 422 3HD1 ILE 53 3HD1 ILE 53 -6.209 6.204 -10.882 423 H LEU 54 H LEU 54 -6.545 7.003 -15.421 424 HA LEU 54 HA LEU 54 -7.088 4.126 -15.082 425 1HB LEU 54 2HB LEU 54 -7.198 5.366 -17.418 426 2HB LEU 54 3HB LEU 54 -5.453 5.128 -17.355 427 HG LEU 54 HG LEU 54 -7.598 3.013 -17.390 428 1HD1 LEU 54 1HD1 LEU 54 -5.269 3.327 -19.252 429 2HD1 LEU 54 2HD1 LEU 54 -6.789 4.182 -19.518 430 3HD1 LEU 54 3HD1 LEU 54 -6.763 2.419 -19.486 431 1HD2 LEU 54 1HD2 LEU 54 -6.123 2.012 -15.948 432 2HD2 LEU 54 2HD2 LEU 54 -4.729 2.876 -16.597 433 3HD2 LEU 54 3HD2 LEU 54 -5.433 1.534 -17.500 434 H PHE 55 H PHE 55 -5.586 2.982 -14.061 435 HA PHE 55 HA PHE 55 -2.846 4.056 -13.936 436 1HB PHE 55 2HB PHE 55 -3.691 4.414 -11.763 437 2HB PHE 55 3HB PHE 55 -4.537 2.870 -11.747 438 HD1 PHE 55 HD1 PHE 55 -1.032 3.459 -12.773 439 HD2 PHE 55 HD2 PHE 55 -3.655 1.898 -9.806 440 HE1 PHE 55 HE1 PHE 55 0.884 2.426 -11.626 441 HE2 PHE 55 HE2 PHE 55 -1.743 0.864 -8.655 442 HZ PHE 55 HZ PHE 55 0.531 1.127 -9.564 443 H GLN 56 H GLN 56 -1.397 2.741 -14.805 444 HA GLN 56 HA GLN 56 -1.814 -0.160 -14.622 445 1HB GLN 56 2HB GLN 56 -0.807 1.205 -17.119 446 2HB GLN 56 3HB GLN 56 -1.201 -0.497 -16.915 447 1HG GLN 56 2HG GLN 56 -3.575 0.232 -16.474 448 2HG GLN 56 3HG GLN 56 -3.086 1.837 -17.015 449 1HE2 GLN 56 1HE2 GLN 56 -3.545 -1.491 -17.961 450 2HE2 GLN 56 2HE2 GLN 56 -3.604 -1.204 -19.664 451 H SER 57 H SER 57 0.097 -1.423 -14.684 452 HA SER 57 HA SER 57 2.475 0.078 -13.848 453 1HB SER 57 2HB SER 57 1.294 -1.937 -12.548 454 2HB SER 57 3HB SER 57 2.356 -2.886 -13.588 455 HG SER 57 HG SER 57 4.037 -2.204 -12.503 456 H LYS 58 H LYS 58 4.565 -1.342 -14.347 457 HA LYS 58 HA LYS 58 4.630 -1.568 -17.261 458 1HB LYS 58 2HB LYS 58 6.279 -0.129 -16.009 459 2HB LYS 58 3HB LYS 58 6.960 -1.606 -15.339 460 1HG LYS 58 2HG LYS 58 8.332 -1.016 -17.156 461 2HG LYS 58 3HG LYS 58 7.339 -2.364 -17.716 462 1HD LYS 58 2HD LYS 58 7.052 -0.982 -19.495 463 2HD LYS 58 3HD LYS 58 5.761 -0.349 -18.472 464 1HE LYS 58 2HE LYS 58 6.853 1.582 -19.106 465 2HE LYS 58 3HE LYS 58 7.621 1.224 -17.560 466 1HZ LYS 58 1HZ LYS 58 9.043 -0.112 -19.557 467 2HZ LYS 58 2HZ LYS 58 9.562 1.175 -18.591 468 3HZ LYS 58 3HZ LYS 58 8.821 1.481 -20.081 469 H LYS 59 H LYS 59 5.654 -3.390 -14.384 470 HA LYS 59 HA LYS 59 6.342 -5.721 -15.915 471 1HB LYS 59 2HB LYS 59 6.178 -5.093 -12.983 472 2HB LYS 59 3HB LYS 59 6.392 -6.751 -13.530 473 1HG LYS 59 2HG LYS 59 8.222 -4.735 -14.675 474 2HG LYS 59 3HG LYS 59 8.429 -5.124 -12.966 475 1HD LYS 59 2HD LYS 59 9.842 -6.598 -14.173 476 2HD LYS 59 3HD LYS 59 8.457 -7.554 -13.642 477 1HE LYS 59 2HE LYS 59 7.457 -7.401 -15.831 478 2HE LYS 59 3HE LYS 59 8.729 -6.308 -16.374 479 1HZ LYS 59 1HZ LYS 59 9.969 -8.595 -15.394 480 2HZ LYS 59 2HZ LYS 59 9.886 -8.070 -17.000 481 3HZ LYS 59 3HZ LYS 59 8.708 -9.121 -16.392 482 H LEU 60 H LEU 60 3.441 -4.396 -15.098 483 HA LEU 60 HA LEU 60 1.795 -6.287 -14.066 484 1HB LEU 60 2HB LEU 60 0.007 -5.235 -15.123 485 2HB LEU 60 3HB LEU 60 1.232 -3.975 -14.985 486 HG LEU 60 HG LEU 60 0.595 -5.540 -17.486 487 1HD1 LEU 60 1HD1 LEU 60 -0.456 -3.052 -16.341 488 2HD1 LEU 60 2HD1 LEU 60 -1.152 -4.134 -17.547 489 3HD1 LEU 60 3HD1 LEU 60 0.053 -2.939 -18.026 490 1HD2 LEU 60 1HD2 LEU 60 2.728 -4.956 -17.943 491 2HD2 LEU 60 2HD2 LEU 60 2.750 -3.666 -16.740 492 3HD2 LEU 60 3HD2 LEU 60 1.988 -3.397 -18.309 493 H SER 61 H SER 61 1.269 -8.314 -14.528 494 HA SER 61 HA SER 61 1.850 -9.325 -17.231 495 1HB SER 61 2HB SER 61 2.090 -10.516 -14.513 496 2HB SER 61 3HB SER 61 1.626 -11.594 -15.830 497 HG SER 61 HG SER 61 4.045 -10.626 -15.238 498 H GLU 62 H GLU 62 0.371 -10.725 -18.247 499 HA GLU 62 HA GLU 62 -2.363 -10.074 -17.795 500 1HB GLU 62 2HB GLU 62 -0.892 -11.866 -19.686 501 2HB GLU 62 3HB GLU 62 -2.636 -12.028 -19.535 502 1HG GLU 62 2HG GLU 62 -2.414 -10.566 -21.300 503 2HG GLU 62 3HG GLU 62 -2.679 -9.481 -19.937 504 H LEU 63 H LEU 63 -0.291 -12.687 -16.822 505 HA LEU 63 HA LEU 63 -2.517 -14.348 -15.963 506 1HB LEU 63 2HB LEU 63 0.412 -14.818 -15.472 507 2HB LEU 63 3HB LEU 63 -0.896 -15.998 -15.423 508 HG LEU 63 HG LEU 63 -1.104 -15.264 -17.981 509 1HD1 LEU 63 1HD1 LEU 63 1.470 -14.232 -17.098 510 2HD1 LEU 63 2HD1 LEU 63 0.562 -13.907 -18.574 511 3HD1 LEU 63 3HD1 LEU 63 1.597 -15.331 -18.472 512 1HD2 LEU 63 1HD2 LEU 63 -0.634 -17.530 -16.865 513 2HD2 LEU 63 2HD2 LEU 63 1.063 -17.183 -17.198 514 3HD2 LEU 63 3HD2 LEU 63 -0.092 -17.292 -18.527 515 H HIS 64 H HIS 64 -1.615 -15.473 -13.656 516 HA HIS 64 HA HIS 64 -1.574 -15.217 -11.395 517 1HB HIS 64 2HB HIS 64 -0.418 -12.470 -11.879 518 2HB HIS 64 3HB HIS 64 -0.233 -13.478 -10.447 519 HD1 HIS 64 HD1 HIS 64 1.906 -12.304 -12.750 520 HD2 HIS 64 HD2 HIS 64 0.854 -16.214 -11.821 521 HE1 HIS 64 HE1 HIS 64 3.822 -13.723 -13.549 522 HA PRO 65 HA PRO 65 -5.450 -12.664 -11.734 523 1HB PRO 65 2HB PRO 65 -7.108 -14.628 -10.858 524 2HB PRO 65 3HB PRO 65 -6.655 -14.439 -12.557 525 1HG PRO 65 2HG PRO 65 -5.551 -16.312 -10.498 526 2HG PRO 65 3HG PRO 65 -5.964 -16.630 -12.193 527 1HD PRO 65 2HD PRO 65 -3.420 -16.206 -11.368 528 2HD PRO 65 3HD PRO 65 -3.997 -15.717 -12.975 529 H GLU 66 H GLU 66 -4.159 -14.798 -9.251 530 HA GLU 66 HA GLU 66 -5.704 -14.010 -7.077 531 1HB GLU 66 2HB GLU 66 -3.860 -15.840 -7.288 532 2HB GLU 66 3HB GLU 66 -2.770 -14.559 -6.778 533 1HG GLU 66 2HG GLU 66 -4.240 -14.231 -4.777 534 2HG GLU 66 3HG GLU 66 -5.105 -15.688 -5.262 535 H GLU 67 H GLU 67 -3.051 -12.397 -8.666 536 HA GLU 67 HA GLU 67 -2.585 -10.483 -6.590 537 1HB GLU 67 2HB GLU 67 -1.863 -10.143 -9.495 538 2HB GLU 67 3HB GLU 67 -1.071 -9.442 -8.091 539 1HG GLU 67 2HG GLU 67 -1.091 -12.361 -8.822 540 2HG GLU 67 3HG GLU 67 0.247 -11.241 -9.071 541 H ARG 68 H ARG 68 -4.555 -10.604 -9.497 542 HA ARG 68 HA ARG 68 -5.239 -7.927 -9.753 543 1HB ARG 68 2HB ARG 68 -6.174 -10.436 -10.772 544 2HB ARG 68 3HB ARG 68 -7.560 -9.451 -10.322 545 1HG ARG 68 2HG ARG 68 -7.299 -8.117 -12.079 546 2HG ARG 68 3HG ARG 68 -5.572 -7.926 -11.775 547 1HD ARG 68 2HD ARG 68 -6.161 -8.983 -13.975 548 2HD ARG 68 3HD ARG 68 -5.057 -9.916 -12.965 549 HE ARG 68 HE ARG 68 -6.657 -11.549 -12.772 550 1HH1 ARG 68 2HH1 ARG 68 -8.095 -8.664 -14.088 551 2HH1 ARG 68 1HH1 ARG 68 -9.598 -9.433 -14.476 552 1HH2 ARG 68 2HH2 ARG 68 -8.632 -12.573 -13.278 553 2HH2 ARG 68 1HH2 ARG 68 -9.903 -11.656 -14.014 554 H LYS 69 H LYS 69 -6.891 -10.457 -7.872 555 HA LYS 69 HA LYS 69 -8.877 -8.758 -6.800 556 1HB LYS 69 2HB LYS 69 -9.221 -10.581 -5.146 557 2HB LYS 69 3HB LYS 69 -9.204 -11.148 -6.810 558 1HG LYS 69 2HG LYS 69 -6.907 -11.915 -6.536 559 2HG LYS 69 3HG LYS 69 -6.906 -11.329 -4.871 560 1HD LYS 69 2HD LYS 69 -8.896 -13.347 -5.882 561 2HD LYS 69 3HD LYS 69 -7.335 -13.809 -5.199 562 1HE LYS 69 2HE LYS 69 -9.124 -11.962 -3.680 563 2HE LYS 69 3HE LYS 69 -9.464 -13.692 -3.684 564 1HZ LYS 69 1HZ LYS 69 -7.036 -12.317 -2.694 565 2HZ LYS 69 2HZ LYS 69 -7.079 -13.984 -2.977 566 3HZ LYS 69 3HZ LYS 69 -8.108 -13.295 -1.825 567 H LYS 70 H LYS 70 -5.674 -9.708 -5.674 568 HA LYS 70 HA LYS 70 -5.782 -8.694 -3.082 569 1HB LYS 70 2HB LYS 70 -3.931 -10.062 -3.735 570 2HB LYS 70 3HB LYS 70 -3.479 -8.945 -5.016 571 1HG LYS 70 2HG LYS 70 -2.520 -7.448 -3.563 572 2HG LYS 70 3HG LYS 70 -3.494 -7.990 -2.194 573 1HD LYS 70 2HD LYS 70 -1.429 -9.755 -3.480 574 2HD LYS 70 3HD LYS 70 -1.016 -8.616 -2.196 575 1HE LYS 70 2HE LYS 70 -2.428 -9.712 -0.645 576 2HE LYS 70 3HE LYS 70 -3.206 -10.659 -1.912 577 1HZ LYS 70 1HZ LYS 70 -0.795 -11.529 -2.273 578 2HZ LYS 70 2HZ LYS 70 -1.756 -12.176 -1.041 579 3HZ LYS 70 3HZ LYS 70 -0.571 -11.027 -0.673 580 H VAL 71 H VAL 71 -4.621 -7.088 -6.044 581 HA VAL 71 HA VAL 71 -4.175 -4.579 -4.799 582 HB VAL 71 HB VAL 71 -4.040 -3.674 -7.088 583 1HG1 VAL 71 1HG1 VAL 71 -1.996 -4.584 -7.488 584 2HG1 VAL 71 2HG1 VAL 71 -2.264 -5.239 -5.871 585 3HG1 VAL 71 3HG1 VAL 71 -2.570 -6.239 -7.291 586 1HG2 VAL 71 1HG2 VAL 71 -4.324 -5.153 -9.012 587 2HG2 VAL 71 2HG2 VAL 71 -4.842 -6.456 -7.942 588 3HG2 VAL 71 3HG2 VAL 71 -5.827 -5.002 -8.100 589 H ARG 72 H ARG 72 -6.942 -6.042 -6.377 590 HA ARG 72 HA ARG 72 -8.506 -3.768 -6.795 591 1HB ARG 72 2HB ARG 72 -8.838 -6.564 -6.993 592 2HB ARG 72 3HB ARG 72 -10.149 -5.981 -5.977 593 1HG ARG 72 2HG ARG 72 -11.230 -5.471 -7.843 594 2HG ARG 72 3HG ARG 72 -10.057 -4.174 -8.078 595 1HD ARG 72 2HD ARG 72 -9.945 -5.342 -10.079 596 2HD ARG 72 3HD ARG 72 -8.595 -6.006 -9.160 597 HE ARG 72 HE ARG 72 -10.633 -7.689 -8.579 598 1HH1 ARG 72 2HH1 ARG 72 -9.275 -6.503 -11.557 599 2HH1 ARG 72 1HH1 ARG 72 -9.664 -7.932 -12.456 600 1HH2 ARG 72 2HH2 ARG 72 -11.152 -9.576 -9.752 601 2HH2 ARG 72 1HH2 ARG 72 -10.733 -9.679 -11.428 602 H GLU 73 H GLU 73 -8.529 -6.002 -4.015 603 HA GLU 73 HA GLU 73 -10.335 -4.414 -2.495 604 1HB GLU 73 2HB GLU 73 -9.798 -5.914 -0.647 605 2HB GLU 73 3HB GLU 73 -10.081 -6.826 -2.122 606 1HG GLU 73 2HG GLU 73 -7.631 -6.976 -2.444 607 2HG GLU 73 3HG GLU 73 -7.416 -6.182 -0.885 608 H LYS 74 H LYS 74 -6.825 -4.698 -2.627 609 HA LYS 74 HA LYS 74 -6.181 -3.192 -0.362 610 1HB LYS 74 2HB LYS 74 -4.511 -4.501 -1.543 611 2HB LYS 74 3HB LYS 74 -4.687 -3.493 -2.973 612 1HG LYS 74 2HG LYS 74 -2.686 -2.857 -1.843 613 2HG LYS 74 3HG LYS 74 -3.868 -1.561 -1.643 614 1HD LYS 74 2HD LYS 74 -2.868 -1.855 0.476 615 2HD LYS 74 3HD LYS 74 -4.452 -2.627 0.583 616 1HE LYS 74 2HE LYS 74 -3.480 -4.799 0.326 617 2HE LYS 74 3HE LYS 74 -1.900 -4.106 -0.037 618 1HZ LYS 74 1HZ LYS 74 -1.565 -3.508 2.149 619 2HZ LYS 74 2HZ LYS 74 -2.376 -4.982 2.322 620 3HZ LYS 74 3HZ LYS 74 -3.212 -3.527 2.536 621 H PHE 75 H PHE 75 -6.451 -2.131 -3.755 622 HA PHE 75 HA PHE 75 -6.066 0.616 -3.165 623 1HB PHE 75 2HB PHE 75 -6.002 0.822 -5.399 624 2HB PHE 75 3HB PHE 75 -6.202 -0.926 -5.469 625 HD1 PHE 75 HD1 PHE 75 -8.266 -1.913 -6.148 626 HD2 PHE 75 HD2 PHE 75 -7.922 2.308 -5.721 627 HE1 PHE 75 HE1 PHE 75 -10.402 -1.622 -7.333 628 HE2 PHE 75 HE2 PHE 75 -10.058 2.605 -6.905 629 HZ PHE 75 HZ PHE 75 -11.301 0.639 -7.712 630 H ASP 76 H ASP 76 -8.890 -1.448 -3.385 631 HA ASP 76 HA ASP 76 -10.883 0.509 -3.502 632 1HB ASP 76 2HB ASP 76 -10.729 -2.343 -2.855 633 2HB ASP 76 3HB ASP 76 -12.018 -1.503 -1.998 634 H GLU 77 H GLU 77 -9.411 -1.075 -0.678 635 HA GLU 77 HA GLU 77 -10.906 0.416 1.227 636 1HB GLU 77 2HB GLU 77 -8.398 -1.243 1.422 637 2HB GLU 77 3HB GLU 77 -9.082 -0.414 2.813 638 1HG GLU 77 2HG GLU 77 -10.519 -2.460 1.139 639 2HG GLU 77 3HG GLU 77 -9.741 -2.774 2.689 640 H ASN 78 H ASN 78 -7.573 0.683 0.018 641 HA ASN 78 HA ASN 78 -6.693 2.796 1.561 642 1HB ASN 78 2HB ASN 78 -5.361 1.431 -0.115 643 2HB ASN 78 3HB ASN 78 -6.025 2.477 -1.367 644 1HD2 ASN 78 1HD2 ASN 78 -4.233 2.548 1.676 645 2HD2 ASN 78 2HD2 ASN 78 -3.278 3.934 1.285 646 H SER 79 H SER 79 -8.641 2.860 -1.380 647 HA SER 79 HA SER 79 -8.637 5.719 -1.586 648 1HB SER 79 2HB SER 79 -9.687 5.397 -3.573 649 2HB SER 79 3HB SER 79 -9.200 3.718 -3.341 650 HG SER 79 HG SER 79 -11.709 4.902 -3.090 651 H ARG 80 H ARG 80 -10.934 3.284 -0.422 652 HA ARG 80 HA ARG 80 -12.971 5.159 0.240 653 1HB ARG 80 2HB ARG 80 -14.200 3.353 0.937 654 2HB ARG 80 3HB ARG 80 -13.044 2.539 -0.108 655 1HG ARG 80 2HG ARG 80 -12.845 1.186 1.682 656 2HG ARG 80 3HG ARG 80 -11.693 2.421 2.194 657 1HD ARG 80 2HD ARG 80 -13.026 3.155 3.857 658 2HD ARG 80 3HD ARG 80 -14.496 2.952 2.904 659 HE ARG 80 HE ARG 80 -13.656 0.407 3.500 660 1HH1 ARG 80 2HH1 ARG 80 -14.542 3.247 5.309 661 2HH1 ARG 80 1HH1 ARG 80 -15.138 2.354 6.668 662 1HH2 ARG 80 2HH2 ARG 80 -14.438 -0.780 5.285 663 2HH2 ARG 80 1HH2 ARG 80 -15.078 0.064 6.654 664 H MET 81 H MET 81 -10.000 4.527 1.626 665 HA MET 81 HA MET 81 -10.253 4.472 4.321 666 1HB MET 81 2HB MET 81 -8.350 5.934 2.535 667 2HB MET 81 3HB MET 81 -8.263 6.190 4.273 668 1HG MET 81 2HG MET 81 -8.365 3.381 3.418 669 2HG MET 81 3HG MET 81 -6.920 4.270 2.942 670 1HE MET 81 1HE MET 81 -7.159 1.654 5.135 671 2HE MET 81 2HE MET 81 -7.518 2.206 6.771 672 3HE MET 81 3HE MET 81 -8.740 2.344 5.505 673 H GLN 82 H GLN 82 -10.589 5.933 5.998 674 HA GLN 82 HA GLN 82 -12.600 7.805 5.707 675 1HB GLN 82 2HB GLN 82 -10.463 7.555 7.823 676 2HB GLN 82 3HB GLN 82 -11.802 8.689 7.943 677 1HG GLN 82 2HG GLN 82 -13.346 6.718 7.705 678 2HG GLN 82 3HG GLN 82 -11.927 5.689 7.896 679 1HE2 GLN 82 1HE2 GLN 82 -10.758 5.798 9.880 680 2HE2 GLN 82 2HE2 GLN 82 -11.549 6.291 11.334 681 H TYR 83 H TYR 83 -12.571 10.135 5.958 682 HA TYR 83 HA TYR 83 -10.895 11.411 4.111 683 1HB TYR 83 2HB TYR 83 -13.196 12.077 5.499 684 2HB TYR 83 3HB TYR 83 -12.004 13.210 6.126 685 HD1 TYR 83 HD1 TYR 83 -14.258 12.504 3.470 686 HD2 TYR 83 HD2 TYR 83 -10.634 14.537 4.383 687 HE1 TYR 83 HE1 TYR 83 -14.544 13.902 1.467 688 HE2 TYR 83 HE2 TYR 83 -10.911 15.942 2.383 689 HH TYR 83 HH TYR 83 -13.014 16.706 0.948 690 H SER 84 H SER 84 -10.662 11.025 7.590 691 HA SER 84 HA SER 84 -8.755 12.934 8.211 692 1HB SER 84 2HB SER 84 -8.700 10.178 9.425 693 2HB SER 84 3HB SER 84 -8.347 11.725 10.193 694 HG SER 84 HG SER 84 -10.781 10.495 9.705 695 H GLU 85 H GLU 85 -8.207 9.557 7.217 696 HA GLU 85 HA GLU 85 -5.368 9.883 7.082 697 1HB GLU 85 2HB GLU 85 -6.846 7.719 7.396 698 2HB GLU 85 3HB GLU 85 -6.783 7.682 5.640 699 1HG GLU 85 2HG GLU 85 -5.042 6.294 6.496 700 2HG GLU 85 3HG GLU 85 -4.312 7.727 5.773 701 H LEU 86 H LEU 86 -8.014 9.941 4.760 702 HA LEU 86 HA LEU 86 -6.503 9.930 2.402 703 1HB LEU 86 2HB LEU 86 -9.163 10.013 3.026 704 2HB LEU 86 3HB LEU 86 -8.895 11.618 2.347 705 HG LEU 86 HG LEU 86 -9.663 10.223 0.587 706 1HD1 LEU 86 1HD1 LEU 86 -6.668 10.485 0.361 707 2HD1 LEU 86 2HD1 LEU 86 -7.845 11.748 0.002 708 3HD1 LEU 86 3HD1 LEU 86 -7.798 10.282 -0.977 709 1HD2 LEU 86 1HD2 LEU 86 -8.577 8.149 1.990 710 2HD2 LEU 86 2HD2 LEU 86 -7.477 8.278 0.617 711 3HD2 LEU 86 3HD2 LEU 86 -9.205 8.044 0.345 712 H MET 87 H MET 87 -7.451 12.561 4.548 713 HA MET 87 HA MET 87 -6.302 14.578 2.826 714 1HB MET 87 2HB MET 87 -7.777 14.556 5.411 715 2HB MET 87 3HB MET 87 -6.740 15.936 5.079 716 1HG MET 87 2HG MET 87 -8.903 14.966 3.229 717 2HG MET 87 3HG MET 87 -9.112 16.246 4.421 718 1HE MET 87 1HE MET 87 -8.536 15.178 1.209 719 2HE MET 87 2HE MET 87 -8.282 16.660 0.288 720 3HE MET 87 3HE MET 87 -6.900 15.679 0.778 721 H THR 88 H THR 88 -5.456 12.881 5.792 722 HA THR 88 HA THR 88 -3.201 14.434 6.475 723 HB THR 88 HB THR 88 -3.875 11.561 7.124 724 HG1 THR 88 HG1 THR 88 -4.653 12.420 9.002 725 1HG2 THR 88 1HG2 THR 88 -1.690 13.317 8.249 726 2HG2 THR 88 2HG2 THR 88 -1.467 11.859 7.282 727 3HG2 THR 88 3HG2 THR 88 -2.169 11.749 8.896 728 H LYS 89 H LYS 89 -3.482 11.363 4.698 729 HA LYS 89 HA LYS 89 -0.708 11.142 4.147 730 1HB LYS 89 2HB LYS 89 -2.937 9.517 3.847 731 2HB LYS 89 3HB LYS 89 -2.442 9.849 2.193 732 1HG LYS 89 2HG LYS 89 -1.273 7.925 2.705 733 2HG LYS 89 3HG LYS 89 -0.083 9.193 3.010 734 1HD LYS 89 2HD LYS 89 -1.830 8.304 5.253 735 2HD LYS 89 3HD LYS 89 -0.499 7.258 4.752 736 1HE LYS 89 2HE LYS 89 0.655 9.761 4.859 737 2HE LYS 89 3HE LYS 89 -0.456 9.768 6.228 738 1HZ LYS 89 1HZ LYS 89 1.974 8.826 6.430 739 2HZ LYS 89 2HZ LYS 89 1.240 7.414 5.858 740 3HZ LYS 89 3HZ LYS 89 0.689 8.135 7.286 741 H TYR 90 H TYR 90 -3.001 13.261 2.980 742 HA TYR 90 HA TYR 90 -1.726 13.537 0.356 743 1HB TYR 90 2HB TYR 90 -4.074 13.519 0.131 744 2HB TYR 90 3HB TYR 90 -4.302 14.576 1.520 745 HD1 TYR 90 HD1 TYR 90 -2.327 14.769 -1.656 746 HD2 TYR 90 HD2 TYR 90 -5.140 16.635 0.933 747 HE1 TYR 90 HE1 TYR 90 -2.410 16.715 -3.159 748 HE2 TYR 90 HE2 TYR 90 -5.233 18.585 -0.563 749 HH TYR 90 HH TYR 90 -3.375 19.580 -2.404 750 H HIS 91 H HIS 91 -2.557 15.448 3.230 751 HA HIS 91 HA HIS 91 -0.880 17.643 2.291 752 1HB HIS 91 2HB HIS 91 -3.206 17.467 3.899 753 2HB HIS 91 3HB HIS 91 -1.917 18.083 4.928 754 HD1 HIS 91 HD1 HIS 91 -0.427 19.974 3.188 755 HD2 HIS 91 HD2 HIS 91 -4.564 19.628 3.028 756 HE1 HIS 91 HE1 HIS 91 -1.245 22.141 2.209 757 H ASP 92 H ASP 92 -1.213 15.709 5.271 758 HA ASP 92 HA ASP 92 1.106 16.555 6.535 759 1HB ASP 92 2HB ASP 92 -0.882 14.677 7.044 760 2HB ASP 92 3HB ASP 92 0.597 13.723 6.975 761 H LEU 93 H LEU 93 0.749 14.565 3.772 762 HA LEU 93 HA LEU 93 3.158 13.082 3.966 763 1HB LEU 93 2HB LEU 93 0.982 13.234 2.212 764 2HB LEU 93 3HB LEU 93 2.398 13.636 1.243 765 HG LEU 93 HG LEU 93 1.804 11.081 2.710 766 1HD1 LEU 93 1HD1 LEU 93 1.468 11.951 0.061 767 2HD1 LEU 93 2HD1 LEU 93 1.272 10.319 0.699 768 3HD1 LEU 93 3HD1 LEU 93 2.830 10.831 0.051 769 1HD2 LEU 93 1HD2 LEU 93 4.432 12.121 1.694 770 2HD2 LEU 93 2HD2 LEU 93 4.103 10.395 1.849 771 3HD2 LEU 93 3HD2 LEU 93 4.055 11.434 3.274 772 H LYS 94 H LYS 94 2.626 16.348 3.527 773 HA LYS 94 HA LYS 94 4.542 17.090 1.628 774 1HB LYS 94 2HB LYS 94 4.187 19.253 2.321 775 2HB LYS 94 3HB LYS 94 2.736 18.482 2.948 776 1HG LYS 94 2HG LYS 94 4.420 18.164 5.041 777 2HG LYS 94 3HG LYS 94 5.002 19.688 4.369 778 1HD LYS 94 2HD LYS 94 3.374 20.525 5.713 779 2HD LYS 94 3HD LYS 94 2.378 20.179 4.298 780 1HE LYS 94 2HE LYS 94 1.098 19.012 5.716 781 2HE LYS 94 3HE LYS 94 2.359 17.784 5.617 782 1HZ LYS 94 1HZ LYS 94 1.886 19.779 7.737 783 2HZ LYS 94 2HZ LYS 94 3.420 19.096 7.531 784 3HZ LYS 94 3HZ LYS 94 2.093 18.105 7.878 785 H LYS 95 H LYS 95 4.920 15.788 4.760 786 HA LYS 95 HA LYS 95 7.260 16.873 5.709 787 1HB LYS 95 2HB LYS 95 5.693 14.855 6.521 788 2HB LYS 95 3HB LYS 95 7.022 13.915 5.855 789 1HG LYS 95 2HG LYS 95 7.358 16.089 7.909 790 2HG LYS 95 3HG LYS 95 7.204 14.372 8.290 791 1HD LYS 95 2HD LYS 95 9.403 14.172 8.018 792 2HD LYS 95 3HD LYS 95 9.185 14.553 6.308 793 1HE LYS 95 2HE LYS 95 9.216 17.009 7.071 794 2HE LYS 95 3HE LYS 95 9.895 16.387 8.574 795 1HZ LYS 95 1HZ LYS 95 11.193 16.861 6.119 796 2HZ LYS 95 2HZ LYS 95 11.316 15.217 6.496 797 3HZ LYS 95 3HZ LYS 95 11.865 16.381 7.595 798 H GLN 96 H GLN 96 7.104 13.893 3.748 799 HA GLN 96 HA GLN 96 9.737 14.611 2.640 800 1HB GLN 96 2HB GLN 96 8.777 11.783 3.047 801 2HB GLN 96 3HB GLN 96 10.403 12.328 2.655 802 1HG GLN 96 2HG GLN 96 10.604 13.345 4.859 803 2HG GLN 96 3HG GLN 96 8.966 12.825 5.253 804 1HE2 GLN 96 1HE2 GLN 96 8.560 10.644 5.627 805 2HE2 GLN 96 2HE2 GLN 96 9.828 9.519 5.960 806 H GLY 97 H GLY 97 6.547 13.315 2.076 807 1HA GLY 97 2HA GLY 97 7.112 12.779 -0.731 808 2HA GLY 97 3HA GLY 97 5.593 12.485 0.101 809 H LYS 98 H LYS 98 5.236 13.516 -2.255 810 HA LYS 98 HA LYS 98 4.309 16.211 -1.700 811 1HB LYS 98 2HB LYS 98 5.291 17.114 -3.791 812 2HB LYS 98 3HB LYS 98 6.505 16.668 -2.599 813 1HG LYS 98 2HG LYS 98 7.467 15.744 -4.423 814 2HG LYS 98 3HG LYS 98 6.438 14.386 -3.960 815 1HD LYS 98 2HD LYS 98 4.754 15.074 -5.558 816 2HD LYS 98 3HD LYS 98 5.690 16.513 -5.967 817 1HE LYS 98 2HE LYS 98 6.806 15.360 -7.500 818 2HE LYS 98 3HE LYS 98 7.378 14.246 -6.259 819 1HZ LYS 98 1HZ LYS 98 5.444 13.820 -8.292 820 2HZ LYS 98 2HZ LYS 98 4.771 13.520 -6.769 821 3HZ LYS 98 3HZ LYS 98 6.167 12.697 -7.253 822 H ILE 99 H ILE 99 3.270 17.037 -3.947 823 HA ILE 99 HA ILE 99 1.917 14.837 -5.304 824 HB ILE 99 HB ILE 99 0.402 15.266 -3.488 825 1HG1 ILE 99 2HG1 ILE 99 -0.335 15.230 -6.066 826 2HG1 ILE 99 3HG1 ILE 99 -1.497 15.367 -4.750 827 1HG2 ILE 99 1HG2 ILE 99 0.716 18.151 -4.270 828 2HG2 ILE 99 2HG2 ILE 99 -0.619 17.577 -3.273 829 3HG2 ILE 99 3HG2 ILE 99 1.042 17.397 -2.710 830 1HD1 ILE 99 1HD1 ILE 99 -0.333 17.812 -6.012 831 2HD1 ILE 99 2HD1 ILE 99 -1.688 16.961 -6.755 832 3HD1 ILE 99 3HD1 ILE 99 -1.847 17.622 -5.128 833 H LYS 100 H LYS 100 1.183 15.334 -7.351 834 HA LYS 100 HA LYS 100 1.754 18.063 -8.306 835 1HB LYS 100 2HB LYS 100 2.227 15.456 -9.765 836 2HB LYS 100 3HB LYS 100 2.432 17.056 -10.467 837 1HG LYS 100 2HG LYS 100 4.030 17.349 -8.366 838 2HG LYS 100 3HG LYS 100 4.135 15.595 -8.537 839 1HD LYS 100 2HD LYS 100 5.866 16.301 -9.892 840 2HD LYS 100 3HD LYS 100 4.546 16.145 -11.053 841 1HE LYS 100 2HE LYS 100 4.925 18.762 -9.692 842 2HE LYS 100 3HE LYS 100 6.070 18.306 -10.952 843 1HZ LYS 100 1HZ LYS 100 4.535 19.236 -12.280 844 2HZ LYS 100 2HZ LYS 100 3.274 19.042 -11.169 845 3HZ LYS 100 3HZ LYS 100 3.752 17.742 -12.141 846 H ASP 101 H ASP 101 0.436 18.857 -9.997 847 HA ASP 101 HA ASP 101 -2.099 17.390 -10.335 848 1HB ASP 101 2HB ASP 101 -3.184 19.628 -10.564 849 2HB ASP 101 3HB ASP 101 -2.494 19.340 -8.969 850 H ARG 102 H ARG 102 -1.230 16.405 -12.237 851 HA ARG 102 HA ARG 102 -0.314 17.966 -14.442 852 1HB ARG 102 2HB ARG 102 -0.861 15.114 -13.900 853 2HB ARG 102 3HB ARG 102 -1.032 15.609 -15.579 854 1HG ARG 102 2HG ARG 102 1.174 15.828 -15.865 855 2HG ARG 102 3HG ARG 102 1.401 16.592 -14.290 856 1HD ARG 102 2HD ARG 102 1.833 14.628 -13.250 857 2HD ARG 102 3HD ARG 102 0.708 13.723 -14.261 858 HE ARG 102 HE ARG 102 2.838 14.448 -15.879 859 1HH1 ARG 102 2HH1 ARG 102 2.296 12.512 -13.037 860 2HH1 ARG 102 1HH1 ARG 102 3.594 11.415 -13.377 861 1HH2 ARG 102 2HH2 ARG 102 4.549 13.012 -16.338 862 2HH2 ARG 102 1HH2 ARG 102 4.875 11.701 -15.255 863 HA PRO 103 HA PRO 103 -4.037 19.088 -16.473 864 1HB PRO 103 2HB PRO 103 -3.420 18.695 -19.088 865 2HB PRO 103 3HB PRO 103 -2.743 20.016 -18.129 866 1HG PRO 103 2HG PRO 103 -1.526 17.375 -18.840 867 2HG PRO 103 3HG PRO 103 -0.783 18.985 -18.840 868 1HD PRO 103 2HD PRO 103 -0.412 17.210 -16.830 869 2HD PRO 103 3HD PRO 103 -0.438 18.964 -16.561 870 H VAL 104 H VAL 104 -5.958 18.205 -17.024 871 HA VAL 104 HA VAL 104 -6.152 15.334 -17.175 872 HB VAL 104 HB VAL 104 -7.792 16.725 -15.915 873 1HG1 VAL 104 1HG1 VAL 104 -9.213 18.219 -16.890 874 2HG1 VAL 104 2HG1 VAL 104 -7.828 18.398 -17.969 875 3HG1 VAL 104 3HG1 VAL 104 -9.196 17.391 -18.447 876 1HG2 VAL 104 1HG2 VAL 104 -8.343 14.449 -16.580 877 2HG2 VAL 104 2HG2 VAL 104 -9.774 15.477 -16.648 878 3HG2 VAL 104 3HG2 VAL 104 -8.938 15.032 -18.135 879 H LYS 105 H LYS 105 -6.601 14.097 -18.917 880 HA LYS 105 HA LYS 105 -6.401 15.352 -21.528 881 1HB LYS 105 2HB LYS 105 -6.173 12.573 -20.472 882 2HB LYS 105 3HB LYS 105 -6.611 12.779 -22.163 883 1HG LYS 105 2HG LYS 105 -4.193 12.474 -21.822 884 2HG LYS 105 3HG LYS 105 -4.589 14.014 -22.588 885 1HD LYS 105 2HD LYS 105 -4.349 15.153 -20.445 886 2HD LYS 105 3HD LYS 105 -3.995 13.615 -19.655 887 1HE LYS 105 2HE LYS 105 -2.123 13.510 -21.525 888 2HE LYS 105 3HE LYS 105 -2.310 15.262 -21.470 889 1HZ LYS 105 1HZ LYS 105 -1.268 13.439 -19.438 890 2HZ LYS 105 2HZ LYS 105 -2.127 14.793 -18.899 891 3HZ LYS 105 3HZ LYS 105 -0.752 14.994 -19.863 892 H GLU 106 H GLU 106 -7.982 15.434 -23.054 893 HA GLU 106 HA GLU 106 -10.691 15.167 -22.161 894 1HB GLU 106 2HB GLU 106 -9.548 15.830 -24.879 895 2HB GLU 106 3HB GLU 106 -11.256 15.902 -24.473 896 1HG GLU 106 2HG GLU 106 -10.930 17.695 -22.980 897 2HG GLU 106 3HG GLU 106 -9.181 17.481 -22.989 898 H VAL 107 H VAL 107 -12.185 13.640 -22.662 899 HA VAL 107 HA VAL 107 -11.203 11.274 -24.114 900 HB VAL 107 HB VAL 107 -13.080 11.588 -21.809 901 1HG1 VAL 107 1HG1 VAL 107 -14.515 10.378 -23.199 902 2HG1 VAL 107 2HG1 VAL 107 -13.194 9.446 -23.907 903 3HG1 VAL 107 3HG1 VAL 107 -13.701 9.137 -22.246 904 1HG2 VAL 107 1HG2 VAL 107 -11.654 9.229 -21.597 905 2HG2 VAL 107 2HG2 VAL 107 -10.521 10.337 -22.370 906 3HG2 VAL 107 3HG2 VAL 107 -11.255 10.764 -20.825 907 H HIS 108 H HIS 108 -12.377 10.400 -25.767 908 HA HIS 108 HA HIS 108 -14.826 11.835 -26.557 909 1HB HIS 108 2HB HIS 108 -12.623 10.768 -28.333 910 2HB HIS 108 3HB HIS 108 -14.163 11.383 -28.925 911 HD1 HIS 108 HD1 HIS 108 -10.830 12.453 -27.786 912 HD2 HIS 108 HD2 HIS 108 -14.518 14.208 -28.545 913 HE1 HIS 108 HE1 HIS 108 -10.383 14.924 -27.919 914 H GLU 109 H GLU 109 -15.997 10.453 -28.348 915 HA GLU 109 HA GLU 109 -16.682 7.969 -27.070 916 1HB GLU 109 2HB GLU 109 -17.744 9.551 -29.370 917 2HB GLU 109 3HB GLU 109 -18.181 7.853 -29.243 918 1HG GLU 109 2HG GLU 109 -18.495 9.348 -26.753 919 2HG GLU 109 3HG GLU 109 -19.514 9.919 -28.073 920 H GLU 110 H GLU 110 -15.704 6.100 -27.431 921 HA GLU 110 HA GLU 110 -15.294 4.874 -29.851 922 1HB GLU 110 2HB GLU 110 -13.361 6.931 -29.434 923 2HB GLU 110 3HB GLU 110 -12.539 5.379 -29.340 924 1HG GLU 110 2HG GLU 110 -14.040 4.983 -31.536 925 2HG GLU 110 3HG GLU 110 -13.792 6.725 -31.636 926 H TYR 111 H TYR 111 -13.020 3.395 -29.540 927 HA TYR 111 HA TYR 111 -13.388 2.162 -26.888 928 1HB TYR 111 2HB TYR 111 -12.587 0.673 -29.385 929 2HB TYR 111 3HB TYR 111 -13.128 0.002 -27.850 930 HD1 TYR 111 HD1 TYR 111 -15.566 0.989 -27.141 931 HD2 TYR 111 HD2 TYR 111 -14.101 0.551 -31.111 932 HE1 TYR 111 HE1 TYR 111 -17.877 0.921 -27.980 933 HE2 TYR 111 HE2 TYR 111 -16.408 0.483 -31.961 934 HH TYR 111 HH TYR 111 -18.562 0.538 -31.447 935 H ASP 112 H ASP 112 -11.660 3.206 -25.917 936 HA ASP 112 HA ASP 112 -9.014 2.318 -26.843 937 1HB ASP 112 2HB ASP 112 -9.170 4.634 -27.486 938 2HB ASP 112 3HB ASP 112 -9.768 5.086 -25.892 939 H LEU 113 H LEU 113 -10.298 4.185 -24.090 940 HA LEU 113 HA LEU 113 -8.558 3.081 -22.196 941 1HB LEU 113 2HB LEU 113 -10.022 4.039 -20.521 942 2HB LEU 113 3HB LEU 113 -9.773 5.168 -21.852 943 HG LEU 113 HG LEU 113 -12.178 3.517 -22.124 944 1HD1 LEU 113 1HD1 LEU 113 -11.775 4.160 -19.569 945 2HD1 LEU 113 2HD1 LEU 113 -13.373 4.172 -20.315 946 3HD1 LEU 113 3HD1 LEU 113 -12.477 5.679 -20.126 947 1HD2 LEU 113 1HD2 LEU 113 -13.014 5.391 -23.118 948 2HD2 LEU 113 2HD2 LEU 113 -11.291 5.687 -23.348 949 3HD2 LEU 113 3HD2 LEU 113 -12.157 6.487 -22.035 950 H TRP 114 H TRP 114 -10.020 2.202 -20.066 951 HA TRP 114 HA TRP 114 -10.368 -0.531 -20.651 952 1HB TRP 114 2HB TRP 114 -11.005 1.177 -18.261 953 2HB TRP 114 3HB TRP 114 -11.471 -0.521 -18.304 954 HD1 TRP 114 HD1 TRP 114 -8.924 1.367 -16.792 955 HE1 TRP 114 HE1 TRP 114 -6.701 0.089 -16.563 956 HE3 TRP 114 HE3 TRP 114 -9.798 -2.387 -20.150 957 HZ2 TRP 114 HZ2 TRP 114 -5.480 -2.206 -17.662 958 HZ3 TRP 114 HZ3 TRP 114 -8.051 -4.083 -20.503 959 HH2 TRP 114 HH2 TRP 114 -5.937 -3.993 -19.285 960 H GLU 115 H GLU 115 -12.685 2.101 -20.176 961 HA GLU 115 HA GLU 115 -14.987 2.116 -20.309 962 1HB GLU 115 2HB GLU 115 -15.746 1.378 -22.595 963 2HB GLU 115 3HB GLU 115 -14.420 2.532 -22.582 964 1HG GLU 115 2HG GLU 115 -12.831 0.804 -23.056 965 2HG GLU 115 3HG GLU 115 -14.068 -0.439 -22.886 966 H ASP 116 H ASP 116 -15.057 0.503 -18.495 967 HA ASP 116 HA ASP 116 -17.008 -1.435 -18.983 968 1HB ASP 116 2HB ASP 116 -15.674 -3.015 -19.939 969 2HB ASP 116 3HB ASP 116 -14.206 -2.368 -19.211 970 HA PRO 117 HA PRO 117 -15.349 -2.011 -14.489 971 1HB PRO 117 2HB PRO 117 -13.042 -0.741 -13.829 972 2HB PRO 117 3HB PRO 117 -13.080 -2.376 -14.500 973 1HG PRO 117 2HG PRO 117 -12.537 0.226 -15.879 974 2HG PRO 117 3HG PRO 117 -11.706 -1.330 -16.057 975 1HD PRO 117 2HD PRO 117 -13.556 -0.455 -17.830 976 2HD PRO 117 3HD PRO 117 -13.324 -2.177 -17.463 977 H ILE 118 H ILE 118 -14.164 1.153 -15.649 978 HA ILE 118 HA ILE 118 -15.244 2.558 -13.407 979 HB ILE 118 HB ILE 118 -14.432 4.536 -14.390 980 1HG1 ILE 118 2HG1 ILE 118 -15.543 4.112 -16.616 981 2HG1 ILE 118 3HG1 ILE 118 -13.947 4.847 -16.711 982 1HG2 ILE 118 1HG2 ILE 118 -12.650 3.082 -13.673 983 2HG2 ILE 118 2HG2 ILE 118 -12.649 2.257 -15.231 984 3HG2 ILE 118 3HG2 ILE 118 -12.145 3.944 -15.126 985 1HD1 ILE 118 1HD1 ILE 118 -14.677 1.983 -17.249 986 2HD1 ILE 118 2HD1 ILE 118 -14.088 3.186 -18.397 987 3HD1 ILE 118 3HD1 ILE 118 -13.018 2.571 -17.138 988 H TRP 119 H TRP 119 -16.432 1.625 -16.516 989 HA TRP 119 HA TRP 119 -18.514 3.565 -16.706 990 1HB TRP 119 2HB TRP 119 -17.581 2.306 -18.652 991 2HB TRP 119 3HB TRP 119 -18.363 0.852 -18.036 992 HD1 TRP 119 HD1 TRP 119 -19.796 4.436 -18.498 993 HE1 TRP 119 HE1 TRP 119 -21.947 4.247 -19.899 994 HE3 TRP 119 HE3 TRP 119 -19.744 -0.597 -19.391 995 HZ2 TRP 119 HZ2 TRP 119 -23.426 2.231 -21.209 996 HZ3 TRP 119 HZ3 TRP 119 -21.563 -1.577 -20.726 997 HH2 TRP 119 HH2 TRP 119 -23.366 -0.191 -21.615 998 H GLN 120 H GLN 120 -18.186 0.450 -15.181 999 HA GLN 120 HA GLN 120 -21.048 0.395 -14.551 1000 1HB GLN 120 2HB GLN 120 -18.912 -1.644 -14.739 1001 2HB GLN 120 3HB GLN 120 -20.103 -1.892 -13.470 1002 1HG GLN 120 2HG GLN 120 -20.931 -1.344 -16.294 1003 2HG GLN 120 3HG GLN 120 -20.511 -2.969 -15.755 1004 1HE2 GLN 120 1HE2 GLN 120 -23.020 -0.997 -16.302 1005 2HE2 GLN 120 2HE2 GLN 120 -24.171 -1.637 -15.184 1006 H TYR 121 H TYR 121 -18.199 -0.652 -12.700 1007 HA TYR 121 HA TYR 121 -18.627 1.284 -10.629 1008 1HB TYR 121 2HB TYR 121 -19.705 -1.473 -10.368 1009 2HB TYR 121 3HB TYR 121 -18.886 -0.801 -8.962 1010 HD1 TYR 121 HD1 TYR 121 -21.992 -1.347 -10.160 1011 HD2 TYR 121 HD2 TYR 121 -19.633 1.906 -8.762 1012 HE1 TYR 121 HE1 TYR 121 -24.041 -0.127 -9.558 1013 HE2 TYR 121 HE2 TYR 121 -21.676 3.134 -8.154 1014 HH TYR 121 HH TYR 121 -24.745 1.663 -8.056 1015 H ILE 122 H ILE 122 -17.012 1.189 -8.967 1016 HA ILE 122 HA ILE 122 -14.451 0.641 -9.848 1017 HB ILE 122 HB ILE 122 -13.779 0.736 -7.426 1018 1HG1 ILE 122 2HG1 ILE 122 -16.748 1.155 -7.017 1019 2HG1 ILE 122 3HG1 ILE 122 -15.841 -0.264 -6.505 1020 1HG2 ILE 122 1HG2 ILE 122 -15.574 3.044 -7.772 1021 2HG2 ILE 122 2HG2 ILE 122 -13.833 2.987 -7.502 1022 3HG2 ILE 122 3HG2 ILE 122 -14.483 2.712 -9.118 1023 1HD1 ILE 122 1HD1 ILE 122 -14.559 2.043 -5.459 1024 2HD1 ILE 122 2HD1 ILE 122 -16.284 2.139 -5.100 1025 3HD1 ILE 122 3HD1 ILE 122 -15.355 0.727 -4.596 Start of MODEL 2 1 H MET 1 H MET 1 3.483 -0.492 -3.743 2 HA MET 1 HA MET 1 5.806 0.885 -4.896 3 1HB MET 1 2HB MET 1 5.700 -1.656 -3.261 4 2HB MET 1 3HB MET 1 7.159 -0.842 -3.808 5 1HG MET 1 2HG MET 1 5.176 0.601 -2.105 6 2HG MET 1 3HG MET 1 6.341 -0.507 -1.383 7 1HE MET 1 1HE MET 1 8.146 2.665 -0.359 8 2HE MET 1 2HE MET 1 6.388 2.687 -0.500 9 3HE MET 1 3HE MET 1 7.207 1.247 0.108 10 H GLN 2 H GLN 2 4.823 0.540 -7.044 11 HA GLN 2 HA GLN 2 4.613 -0.556 -9.032 12 1HB GLN 2 2HB GLN 2 7.075 -1.705 -7.792 13 2HB GLN 2 3HB GLN 2 6.471 -2.416 -9.283 14 1HG GLN 2 2HG GLN 2 6.427 0.114 -10.045 15 2HG GLN 2 3HG GLN 2 7.665 0.252 -8.797 16 1HE2 GLN 2 1HE2 GLN 2 9.111 -1.947 -8.972 17 2HE2 GLN 2 2HE2 GLN 2 9.823 -2.125 -10.536 18 H LYS 3 H LYS 3 2.589 -1.376 -7.750 19 HA LYS 3 HA LYS 3 2.342 -3.948 -6.784 20 1HB LYS 3 2HB LYS 3 -0.059 -3.778 -7.669 21 2HB LYS 3 3HB LYS 3 0.473 -2.555 -6.523 22 1HG LYS 3 2HG LYS 3 0.759 -0.947 -8.263 23 2HG LYS 3 3HG LYS 3 0.482 -2.169 -9.507 24 1HD LYS 3 2HD LYS 3 -1.541 -0.960 -9.319 25 2HD LYS 3 3HD LYS 3 -1.814 -2.493 -8.487 26 1HE LYS 3 2HE LYS 3 -1.235 -1.317 -6.346 27 2HE LYS 3 3HE LYS 3 -1.239 0.195 -7.252 28 1HZ LYS 3 1HZ LYS 3 -3.519 -0.011 -7.699 29 2HZ LYS 3 2HZ LYS 3 -3.360 -0.406 -6.062 30 3HZ LYS 3 3HZ LYS 3 -3.569 -1.631 -7.211 31 H GLY 4 H GLY 4 2.184 -2.831 -10.144 32 1HA GLY 4 2HA GLY 4 2.858 -4.069 -12.019 33 2HA GLY 4 3HA GLY 4 2.860 -5.523 -11.031 34 H LEU 5 H LEU 5 0.102 -3.440 -10.921 35 HA LEU 5 HA LEU 5 -1.354 -5.206 -12.764 36 1HB LEU 5 2HB LEU 5 -1.998 -4.540 -9.924 37 2HB LEU 5 3HB LEU 5 -3.305 -4.849 -11.066 38 HG LEU 5 HG LEU 5 -2.840 -6.854 -9.824 39 1HD1 LEU 5 1HD1 LEU 5 -1.662 -7.173 -12.577 40 2HD1 LEU 5 2HD1 LEU 5 -3.388 -7.006 -12.255 41 3HD1 LEU 5 3HD1 LEU 5 -2.502 -8.391 -11.616 42 1HD2 LEU 5 1HD2 LEU 5 -0.229 -5.974 -9.795 43 2HD2 LEU 5 2HD2 LEU 5 -0.174 -7.374 -10.866 44 3HD2 LEU 5 3HD2 LEU 5 -0.804 -7.542 -9.227 45 H GLU 6 H GLU 6 -3.381 -4.286 -13.554 46 HA GLU 6 HA GLU 6 -3.192 -1.359 -13.754 47 1HB GLU 6 2HB GLU 6 -4.739 -3.181 -15.591 48 2HB GLU 6 3HB GLU 6 -4.273 -1.509 -15.871 49 1HG GLU 6 2HG GLU 6 -1.928 -2.177 -15.978 50 2HG GLU 6 3HG GLU 6 -2.394 -3.853 -15.697 51 H ILE 7 H ILE 7 -4.780 -0.098 -13.005 52 HA ILE 7 HA ILE 7 -7.424 -1.243 -12.504 53 HB ILE 7 HB ILE 7 -7.352 0.129 -10.275 54 1HG1 ILE 7 2HG1 ILE 7 -4.895 0.797 -10.974 55 2HG1 ILE 7 3HG1 ILE 7 -5.303 0.508 -9.286 56 1HG2 ILE 7 1HG2 ILE 7 -6.317 -1.987 -9.169 57 2HG2 ILE 7 2HG2 ILE 7 -7.829 -2.117 -10.066 58 3HG2 ILE 7 3HG2 ILE 7 -6.314 -2.618 -10.816 59 1HD1 ILE 7 1HD1 ILE 7 -3.170 -0.550 -10.375 60 2HD1 ILE 7 2HD1 ILE 7 -4.132 -1.447 -9.199 61 3HD1 ILE 7 3HD1 ILE 7 -4.322 -1.769 -10.922 62 H ALA 8 H ALA 8 -9.109 0.247 -12.517 63 HA ALA 8 HA ALA 8 -8.371 2.994 -13.289 64 1HB ALA 8 1HB ALA 8 -9.376 1.324 -15.061 65 2HB ALA 8 2HB ALA 8 -10.898 1.797 -14.303 66 3HB ALA 8 3HB ALA 8 -9.855 3.021 -15.027 67 H PHE 9 H PHE 9 -9.629 4.666 -12.500 68 HA PHE 9 HA PHE 9 -11.788 3.957 -10.640 69 1HB PHE 9 2HB PHE 9 -9.909 4.309 -9.202 70 2HB PHE 9 3HB PHE 9 -9.436 5.764 -10.073 71 HD1 PHE 9 HD1 PHE 9 -12.556 4.502 -8.450 72 HD2 PHE 9 HD2 PHE 9 -9.771 7.690 -8.892 73 HE1 PHE 9 HE1 PHE 9 -13.870 5.863 -6.877 74 HE2 PHE 9 HE2 PHE 9 -11.080 9.056 -7.319 75 HZ PHE 9 HZ PHE 9 -13.132 8.142 -6.308 76 H GLN 10 H GLN 10 -13.523 5.290 -10.676 77 HA GLN 10 HA GLN 10 -13.411 7.539 -12.565 78 1HB GLN 10 2HB GLN 10 -15.729 7.237 -12.961 79 2HB GLN 10 3HB GLN 10 -15.018 5.629 -12.981 80 1HG GLN 10 2HG GLN 10 -15.765 5.305 -10.654 81 2HG GLN 10 3HG GLN 10 -16.548 6.883 -10.714 82 1HE2 GLN 10 1HE2 GLN 10 -18.481 7.100 -11.726 83 2HE2 GLN 10 2HE2 GLN 10 -19.368 5.780 -12.402 84 H THR 11 H THR 11 -14.745 9.434 -12.060 85 HA THR 11 HA THR 11 -15.552 9.878 -9.334 86 HB THR 11 HB THR 11 -13.333 10.355 -8.813 87 HG1 THR 11 HG1 THR 11 -13.336 12.569 -8.483 88 1HG2 THR 11 1HG2 THR 11 -13.157 11.106 -11.646 89 2HG2 THR 11 2HG2 THR 11 -11.952 10.368 -10.591 90 3HG2 THR 11 3HG2 THR 11 -12.200 12.113 -10.561 91 H ILE 12 H ILE 12 -16.895 11.644 -9.111 92 HA ILE 12 HA ILE 12 -17.245 13.411 -11.420 93 HB ILE 12 HB ILE 12 -19.641 12.194 -10.071 94 1HG1 ILE 12 2HG1 ILE 12 -19.649 10.945 -12.444 95 2HG1 ILE 12 3HG1 ILE 12 -17.909 11.080 -12.215 96 1HG2 ILE 12 1HG2 ILE 12 -19.176 13.769 -12.586 97 2HG2 ILE 12 2HG2 ILE 12 -20.664 12.870 -12.297 98 3HG2 ILE 12 3HG2 ILE 12 -20.198 14.177 -11.208 99 1HD1 ILE 12 1HD1 ILE 12 -19.183 10.141 -9.815 100 2HD1 ILE 12 2HD1 ILE 12 -19.598 9.125 -11.196 101 3HD1 ILE 12 3HD1 ILE 12 -17.906 9.399 -10.779 102 H ASN 13 H ASN 13 -18.323 12.682 -8.109 103 HA ASN 13 HA ASN 13 -19.087 15.397 -7.587 104 1HB ASN 13 2HB ASN 13 -18.952 12.871 -5.994 105 2HB ASN 13 3HB ASN 13 -19.057 14.406 -5.136 106 1HD2 ASN 13 1HD2 ASN 13 -21.045 12.664 -4.786 107 2HD2 ASN 13 2HD2 ASN 13 -22.475 13.177 -5.607 108 H GLY 14 H GLY 14 -18.095 16.840 -6.107 109 1HA GLY 14 2HA GLY 14 -15.325 17.115 -6.383 110 2HA GLY 14 3HA GLY 14 -16.313 17.971 -5.208 111 H LEU 15 H LEU 15 -17.128 15.187 -4.188 112 HA LEU 15 HA LEU 15 -15.219 15.089 -2.079 113 1HB LEU 15 2HB LEU 15 -17.508 13.306 -2.867 114 2HB LEU 15 3HB LEU 15 -16.483 12.971 -1.472 115 HG LEU 15 HG LEU 15 -17.923 15.588 -1.727 116 1HD1 LEU 15 1HD1 LEU 15 -19.217 13.567 -0.062 117 2HD1 LEU 15 2HD1 LEU 15 -19.290 13.225 -1.790 118 3HD1 LEU 15 3HD1 LEU 15 -19.918 14.750 -1.166 119 1HD2 LEU 15 1HD2 LEU 15 -17.890 14.980 0.875 120 2HD2 LEU 15 2HD2 LEU 15 -16.563 15.817 0.069 121 3HD2 LEU 15 3HD2 LEU 15 -16.466 14.079 0.357 122 H ASP 16 H ASP 16 -15.580 13.438 -5.110 123 HA ASP 16 HA ASP 16 -13.735 11.319 -4.439 124 1HB ASP 16 2HB ASP 16 -15.175 12.124 -6.957 125 2HB ASP 16 3HB ASP 16 -13.926 10.882 -6.972 126 H GLU 17 H GLU 17 -13.649 14.427 -6.035 127 HA GLU 17 HA GLU 17 -11.294 14.282 -7.462 128 1HB GLU 17 2HB GLU 17 -12.546 16.258 -7.692 129 2HB GLU 17 3HB GLU 17 -12.591 16.536 -5.956 130 1HG GLU 17 2HG GLU 17 -11.119 18.117 -7.051 131 2HG GLU 17 3HG GLU 17 -10.213 17.062 -5.967 132 H SER 18 H SER 18 -11.713 15.051 -4.021 133 HA SER 18 HA SER 18 -9.083 15.609 -3.363 134 1HB SER 18 2HB SER 18 -9.678 14.990 -1.064 135 2HB SER 18 3HB SER 18 -10.976 15.919 -1.814 136 HG SER 18 HG SER 18 -12.041 13.926 -2.223 137 H LEU 19 H LEU 19 -10.686 12.496 -3.725 138 HA LEU 19 HA LEU 19 -8.513 10.944 -2.730 139 1HB LEU 19 2HB LEU 19 -10.648 9.950 -2.657 140 2HB LEU 19 3HB LEU 19 -10.953 10.299 -4.358 141 HG LEU 19 HG LEU 19 -9.298 8.611 -4.999 142 1HD1 LEU 19 1HD1 LEU 19 -7.793 8.713 -3.131 143 2HD1 LEU 19 2HD1 LEU 19 -8.431 7.074 -3.257 144 3HD1 LEU 19 3HD1 LEU 19 -9.058 8.172 -2.027 145 1HD2 LEU 19 1HD2 LEU 19 -10.892 7.057 -4.959 146 2HD2 LEU 19 2HD2 LEU 19 -11.840 8.189 -3.994 147 3HD2 LEU 19 3HD2 LEU 19 -10.859 6.958 -3.198 148 H VAL 20 H VAL 20 -9.560 11.961 -5.945 149 HA VAL 20 HA VAL 20 -7.792 10.424 -7.472 150 HB VAL 20 HB VAL 20 -8.794 13.201 -8.115 151 1HG1 VAL 20 1HG1 VAL 20 -8.564 12.331 -10.479 152 2HG1 VAL 20 2HG1 VAL 20 -7.056 12.659 -9.623 153 3HG1 VAL 20 3HG1 VAL 20 -7.628 11.000 -9.801 154 1HG2 VAL 20 1HG2 VAL 20 -10.074 10.518 -8.230 155 2HG2 VAL 20 2HG2 VAL 20 -10.773 12.086 -7.825 156 3HG2 VAL 20 3HG2 VAL 20 -10.437 11.678 -9.508 157 H GLN 21 H GLN 21 -7.427 13.770 -6.300 158 HA GLN 21 HA GLN 21 -4.778 14.070 -7.264 159 1HB GLN 21 2HB GLN 21 -6.529 15.584 -5.372 160 2HB GLN 21 3HB GLN 21 -4.812 15.960 -5.429 161 1HG GLN 21 2HG GLN 21 -5.066 16.291 -7.900 162 2HG GLN 21 3HG GLN 21 -6.807 16.148 -7.668 163 1HE2 GLN 21 1HE2 GLN 21 -4.754 18.360 -8.372 164 2HE2 GLN 21 2HE2 GLN 21 -5.291 19.697 -7.418 165 H ALA 22 H ALA 22 -6.093 13.331 -4.048 166 HA ALA 22 HA ALA 22 -3.691 13.227 -2.642 167 1HB ALA 22 1HB ALA 22 -4.908 11.759 -1.052 168 2HB ALA 22 2HB ALA 22 -5.792 13.224 -1.481 169 3HB ALA 22 3HB ALA 22 -6.240 11.679 -2.205 170 H LEU 23 H LEU 23 -5.472 10.549 -4.180 171 HA LEU 23 HA LEU 23 -3.541 8.573 -3.619 172 1HB LEU 23 2HB LEU 23 -4.846 7.144 -4.839 173 2HB LEU 23 3HB LEU 23 -6.017 8.395 -4.424 174 HG LEU 23 HG LEU 23 -5.294 9.365 -6.771 175 1HD1 LEU 23 1HD1 LEU 23 -5.210 6.842 -7.982 176 2HD1 LEU 23 2HD1 LEU 23 -4.001 6.805 -6.699 177 3HD1 LEU 23 3HD1 LEU 23 -3.934 8.059 -7.936 178 1HD2 LEU 23 1HD2 LEU 23 -7.531 8.403 -5.894 179 2HD2 LEU 23 2HD2 LEU 23 -7.078 6.962 -6.806 180 3HD2 LEU 23 3HD2 LEU 23 -7.266 8.509 -7.635 181 H ALA 24 H ALA 24 -3.916 10.847 -6.259 182 HA ALA 24 HA ALA 24 -2.069 9.681 -8.047 183 1HB ALA 24 1HB ALA 24 -2.930 12.557 -7.757 184 2HB ALA 24 2HB ALA 24 -2.023 11.900 -9.121 185 3HB ALA 24 3HB ALA 24 -3.663 11.336 -8.799 186 H GLY 25 H GLY 25 -1.698 12.209 -5.573 187 1HA GLY 25 2HA GLY 25 1.051 12.688 -6.073 188 2HA GLY 25 3HA GLY 25 0.177 13.128 -4.613 189 H VAL 26 H VAL 26 -0.568 10.757 -3.555 190 HA VAL 26 HA VAL 26 1.780 9.850 -2.309 191 HB VAL 26 HB VAL 26 -0.488 9.698 -1.305 192 1HG1 VAL 26 1HG1 VAL 26 -1.582 8.858 -3.401 193 2HG1 VAL 26 2HG1 VAL 26 -0.870 7.280 -3.060 194 3HG1 VAL 26 3HG1 VAL 26 -2.025 7.991 -1.931 195 1HG2 VAL 26 1HG2 VAL 26 -0.058 7.738 -0.071 196 2HG2 VAL 26 2HG2 VAL 26 0.777 6.972 -1.422 197 3HG2 VAL 26 3HG2 VAL 26 1.525 8.327 -0.576 198 H THR 27 H THR 27 -0.064 8.603 -5.032 199 HA THR 27 HA THR 27 1.241 6.102 -5.231 200 HB THR 27 HB THR 27 -0.275 7.746 -7.255 201 HG1 THR 27 HG1 THR 27 -1.629 5.705 -6.917 202 1HG2 THR 27 1HG2 THR 27 1.295 6.452 -8.532 203 2HG2 THR 27 2HG2 THR 27 -0.281 5.668 -8.646 204 3HG2 THR 27 3HG2 THR 27 0.956 5.010 -7.576 205 H ALA 28 H ALA 28 1.732 9.161 -6.990 206 HA ALA 28 HA ALA 28 3.876 8.315 -8.574 207 1HB ALA 28 1HB ALA 28 2.921 10.987 -7.639 208 2HB ALA 28 2HB ALA 28 4.443 10.851 -8.520 209 3HB ALA 28 3HB ALA 28 2.941 10.309 -9.267 210 H SER 29 H SER 29 3.807 9.710 -5.328 211 HA SER 29 HA SER 29 6.655 9.877 -5.093 212 1HB SER 29 2HB SER 29 4.748 9.808 -2.763 213 2HB SER 29 3HB SER 29 6.285 10.661 -2.903 214 HG SER 29 HG SER 29 4.993 11.732 -4.769 215 H ASP 30 H ASP 30 4.218 7.491 -4.337 216 HA ASP 30 HA ASP 30 6.008 5.845 -2.782 217 1HB ASP 30 2HB ASP 30 3.190 5.508 -3.787 218 2HB ASP 30 3HB ASP 30 4.059 4.175 -3.032 219 H PHE 31 H PHE 31 5.376 6.331 -6.078 220 HA PHE 31 HA PHE 31 6.558 3.723 -6.765 221 1HB PHE 31 2HB PHE 31 4.607 5.495 -8.191 222 2HB PHE 31 3HB PHE 31 5.631 4.405 -9.120 223 HD1 PHE 31 HD1 PHE 31 3.797 4.064 -5.888 224 HD2 PHE 31 HD2 PHE 31 4.424 2.592 -9.832 225 HE1 PHE 31 HE1 PHE 31 2.227 2.222 -5.446 226 HE2 PHE 31 HE2 PHE 31 2.855 0.748 -9.397 227 HZ PHE 31 HZ PHE 31 1.753 0.562 -7.202 228 HA PRO 32 HA PRO 32 9.777 6.951 -7.656 229 1HB PRO 32 2HB PRO 32 11.831 5.529 -6.594 230 2HB PRO 32 3HB PRO 32 10.802 6.594 -5.630 231 1HG PRO 32 2HG PRO 32 10.681 3.620 -5.945 232 2HG PRO 32 3HG PRO 32 10.512 4.597 -4.475 233 1HD PRO 32 2HD PRO 32 8.382 3.575 -5.797 234 2HD PRO 32 3HD PRO 32 8.312 5.119 -4.923 235 H ASP 33 H ASP 33 9.291 3.616 -8.371 236 HA ASP 33 HA ASP 33 11.504 3.068 -9.990 237 1HB ASP 33 2HB ASP 33 8.709 1.997 -9.852 238 2HB ASP 33 3HB ASP 33 9.768 1.496 -11.167 239 H LEU 34 H LEU 34 8.848 5.156 -10.501 240 HA LEU 34 HA LEU 34 8.210 6.480 -12.235 241 1HB LEU 34 2HB LEU 34 10.997 5.826 -13.175 242 2HB LEU 34 3HB LEU 34 9.956 7.034 -13.924 243 HG LEU 34 HG LEU 34 10.736 7.209 -11.029 244 1HD1 LEU 34 1HD1 LEU 34 12.500 8.813 -11.813 245 2HD1 LEU 34 2HD1 LEU 34 12.267 8.165 -13.436 246 3HD1 LEU 34 3HD1 LEU 34 12.831 7.112 -12.139 247 1HD2 LEU 34 1HD2 LEU 34 9.859 9.246 -13.074 248 2HD2 LEU 34 2HD2 LEU 34 10.285 9.590 -11.397 249 3HD2 LEU 34 3HD2 LEU 34 8.876 8.593 -11.763 250 H ASP 35 H ASP 35 8.015 3.437 -12.355 251 HA ASP 35 HA ASP 35 7.803 3.072 -15.255 252 1HB ASP 35 2HB ASP 35 7.516 1.020 -13.051 253 2HB ASP 35 3HB ASP 35 7.592 0.693 -14.780 254 H ILE 36 H ILE 36 5.925 4.309 -12.963 255 HA ILE 36 HA ILE 36 3.484 2.872 -13.290 256 HB ILE 36 HB ILE 36 3.714 4.158 -11.302 257 1HG1 ILE 36 2HG1 ILE 36 1.790 5.649 -13.097 258 2HG1 ILE 36 3HG1 ILE 36 1.452 4.091 -12.351 259 1HG2 ILE 36 1HG2 ILE 36 3.853 6.691 -11.463 260 2HG2 ILE 36 2HG2 ILE 36 5.314 5.788 -11.857 261 3HG2 ILE 36 3HG2 ILE 36 4.312 6.450 -13.148 262 1HD1 ILE 36 1HD1 ILE 36 1.621 6.789 -11.121 263 2HD1 ILE 36 2HD1 ILE 36 0.434 5.506 -10.881 264 3HD1 ILE 36 3HD1 ILE 36 2.032 5.379 -10.146 265 H LYS 37 H LYS 37 1.908 3.090 -14.762 266 HA LYS 37 HA LYS 37 2.161 5.274 -16.727 267 1HB LYS 37 2HB LYS 37 1.096 2.492 -17.244 268 2HB LYS 37 3HB LYS 37 1.308 3.770 -18.433 269 1HG LYS 37 2HG LYS 37 3.491 2.351 -16.921 270 2HG LYS 37 3HG LYS 37 3.083 2.147 -18.626 271 1HD LYS 37 2HD LYS 37 4.068 4.695 -17.341 272 2HD LYS 37 3HD LYS 37 5.036 3.598 -18.329 273 1HE LYS 37 2HE LYS 37 3.555 4.012 -20.233 274 2HE LYS 37 3HE LYS 37 2.586 5.104 -19.244 275 1HZ LYS 37 1HZ LYS 37 5.435 5.481 -19.994 276 2HZ LYS 37 2HZ LYS 37 4.558 6.509 -18.977 277 3HZ LYS 37 3HZ LYS 37 4.117 6.349 -20.602 278 H TYR 38 H TYR 38 0.743 6.373 -15.111 279 HA TYR 38 HA TYR 38 -2.077 5.657 -15.579 280 1HB TYR 38 2HB TYR 38 -2.646 6.119 -13.390 281 2HB TYR 38 3HB TYR 38 -1.035 5.446 -13.173 282 HD1 TYR 38 HD1 TYR 38 0.877 7.383 -13.468 283 HD2 TYR 38 HD2 TYR 38 -3.111 7.967 -12.105 284 HE1 TYR 38 HE1 TYR 38 1.581 9.432 -12.304 285 HE2 TYR 38 HE2 TYR 38 -2.418 10.018 -10.938 286 HH TYR 38 HH TYR 38 0.512 10.761 -10.111 287 H ASN 39 H ASN 39 -3.513 7.670 -15.029 288 HA ASN 39 HA ASN 39 -2.560 10.270 -15.364 289 1HB ASN 39 2HB ASN 39 -2.585 8.766 -17.798 290 2HB ASN 39 3HB ASN 39 -3.823 10.015 -17.897 291 1HD2 ASN 39 1HD2 ASN 39 -1.019 9.547 -19.051 292 2HD2 ASN 39 2HD2 ASN 39 -0.241 11.074 -18.831 293 H ILE 40 H ILE 40 -4.358 11.807 -16.031 294 HA ILE 40 HA ILE 40 -6.987 10.681 -15.329 295 HB ILE 40 HB ILE 40 -6.872 13.418 -14.541 296 1HG1 ILE 40 2HG1 ILE 40 -4.655 11.681 -13.443 297 2HG1 ILE 40 3HG1 ILE 40 -4.477 13.201 -14.311 298 1HG2 ILE 40 1HG2 ILE 40 -7.058 10.899 -12.895 299 2HG2 ILE 40 2HG2 ILE 40 -7.546 12.516 -12.388 300 3HG2 ILE 40 3HG2 ILE 40 -8.409 11.703 -13.694 301 1HD1 ILE 40 1HD1 ILE 40 -4.970 12.706 -11.495 302 2HD1 ILE 40 2HD1 ILE 40 -4.338 14.140 -12.304 303 3HD1 ILE 40 3HD1 ILE 40 -6.080 13.886 -12.192 304 H PHE 41 H PHE 41 -8.507 11.063 -16.793 305 HA PHE 41 HA PHE 41 -8.252 13.437 -18.513 306 1HB PHE 41 2HB PHE 41 -9.367 11.888 -20.295 307 2HB PHE 41 3HB PHE 41 -7.631 11.786 -20.025 308 HD1 PHE 41 HD1 PHE 41 -6.638 9.762 -19.454 309 HD2 PHE 41 HD2 PHE 41 -10.855 10.207 -19.091 310 HE1 PHE 41 HE1 PHE 41 -6.849 7.354 -18.994 311 HE2 PHE 41 HE2 PHE 41 -11.073 7.801 -18.630 312 HZ PHE 41 HZ PHE 41 -9.069 6.371 -18.580 313 H LEU 42 H LEU 42 -10.187 14.385 -19.201 314 HA LEU 42 HA LEU 42 -12.527 13.611 -17.601 315 1HB LEU 42 2HB LEU 42 -12.101 15.799 -17.056 316 2HB LEU 42 3HB LEU 42 -11.504 16.195 -18.667 317 HG LEU 42 HG LEU 42 -13.855 16.125 -19.486 318 1HD1 LEU 42 1HD1 LEU 42 -15.327 15.068 -18.189 319 2HD1 LEU 42 2HD1 LEU 42 -15.343 16.532 -17.207 320 3HD1 LEU 42 3HD1 LEU 42 -14.289 15.188 -16.768 321 1HD2 LEU 42 1HD2 LEU 42 -14.538 18.240 -18.219 322 2HD2 LEU 42 2HD2 LEU 42 -13.010 18.271 -19.099 323 3HD2 LEU 42 3HD2 LEU 42 -13.016 18.056 -17.347 324 H VAL 43 H VAL 43 -14.330 12.900 -18.551 325 HA VAL 43 HA VAL 43 -14.468 13.013 -21.492 326 HB VAL 43 HB VAL 43 -15.389 10.932 -21.567 327 1HG1 VAL 43 1HG1 VAL 43 -14.040 9.523 -20.385 328 2HG1 VAL 43 2HG1 VAL 43 -13.190 11.042 -20.095 329 3HG1 VAL 43 3HG1 VAL 43 -14.276 10.390 -18.867 330 1HG2 VAL 43 1HG2 VAL 43 -16.652 9.927 -19.616 331 2HG2 VAL 43 2HG2 VAL 43 -16.553 11.514 -18.854 332 3HG2 VAL 43 3HG2 VAL 43 -17.401 11.324 -20.388 333 H ASP 44 H ASP 44 -16.289 13.747 -22.496 334 HA ASP 44 HA ASP 44 -18.537 14.599 -20.805 335 1HB ASP 44 2HB ASP 44 -17.106 16.559 -21.253 336 2HB ASP 44 3HB ASP 44 -17.266 16.272 -22.984 337 H LEU 45 H LEU 45 -20.292 13.582 -21.487 338 HA LEU 45 HA LEU 45 -20.960 13.566 -24.308 339 1HB LEU 45 2HB LEU 45 -19.665 11.375 -23.303 340 2HB LEU 45 3HB LEU 45 -21.358 10.925 -23.115 341 HG LEU 45 HG LEU 45 -19.839 11.493 -25.642 342 1HD1 LEU 45 1HD1 LEU 45 -21.564 9.260 -25.780 343 2HD1 LEU 45 2HD1 LEU 45 -20.694 9.163 -24.250 344 3HD1 LEU 45 3HD1 LEU 45 -19.801 9.283 -25.766 345 1HD2 LEU 45 1HD2 LEU 45 -21.800 12.734 -26.003 346 2HD2 LEU 45 2HD2 LEU 45 -22.808 11.542 -25.182 347 3HD2 LEU 45 3HD2 LEU 45 -22.104 11.168 -26.756 348 H TYR 46 H TYR 46 -23.138 13.530 -24.681 349 HA TYR 46 HA TYR 46 -25.370 13.667 -24.265 350 1HB TYR 46 2HB TYR 46 -24.799 12.128 -21.727 351 2HB TYR 46 3HB TYR 46 -26.343 12.267 -22.559 352 HD1 TYR 46 HD1 TYR 46 -23.098 10.606 -22.500 353 HD2 TYR 46 HD2 TYR 46 -26.743 11.048 -24.650 354 HE1 TYR 46 HE1 TYR 46 -22.579 8.574 -23.784 355 HE2 TYR 46 HE2 TYR 46 -26.235 9.016 -25.939 356 HH TYR 46 HH TYR 46 -23.679 6.886 -25.084 357 H GLY 47 H GLY 47 -23.739 15.809 -23.502 358 1HA GLY 47 2HA GLY 47 -23.895 17.789 -22.350 359 2HA GLY 47 3HA GLY 47 -25.499 17.270 -21.852 360 H GLN 48 H GLN 48 -23.131 15.023 -21.007 361 HA GLN 48 HA GLN 48 -22.886 16.179 -18.310 362 1HB GLN 48 2HB GLN 48 -23.158 13.228 -18.871 363 2HB GLN 48 3HB GLN 48 -23.217 14.037 -17.311 364 1HG GLN 48 2HG GLN 48 -25.257 15.262 -18.601 365 2HG GLN 48 3HG GLN 48 -25.314 13.655 -19.323 366 1HE2 GLN 48 1HE2 GLN 48 -26.107 11.992 -18.170 367 2HE2 GLN 48 2HE2 GLN 48 -26.679 12.112 -16.545 368 H LYS 49 H LYS 49 -20.891 16.225 -17.469 369 HA LYS 49 HA LYS 49 -18.773 14.740 -18.883 370 1HB LYS 49 2HB LYS 49 -17.274 16.649 -18.039 371 2HB LYS 49 3HB LYS 49 -18.345 16.986 -19.393 372 1HG LYS 49 2HG LYS 49 -19.618 17.547 -16.855 373 2HG LYS 49 3HG LYS 49 -18.113 18.448 -17.056 374 1HD LYS 49 2HD LYS 49 -19.789 18.410 -19.451 375 2HD LYS 49 3HD LYS 49 -20.556 19.182 -18.062 376 1HE LYS 49 2HE LYS 49 -17.763 19.851 -18.953 377 2HE LYS 49 3HE LYS 49 -19.185 20.676 -19.592 378 1HZ LYS 49 1HZ LYS 49 -18.705 22.041 -17.867 379 2HZ LYS 49 2HZ LYS 49 -17.985 20.828 -16.934 380 3HZ LYS 49 3HZ LYS 49 -19.671 20.936 -17.025 381 H TYR 50 H TYR 50 -17.525 13.433 -17.696 382 HA TYR 50 HA TYR 50 -17.559 13.744 -14.769 383 1HB TYR 50 2HB TYR 50 -17.565 11.065 -16.158 384 2HB TYR 50 3HB TYR 50 -17.797 11.394 -14.444 385 HD1 TYR 50 HD1 TYR 50 -19.778 13.551 -14.479 386 HD2 TYR 50 HD2 TYR 50 -19.525 10.046 -16.878 387 HE1 TYR 50 HE1 TYR 50 -22.213 13.616 -14.819 388 HE2 TYR 50 HE2 TYR 50 -21.960 10.102 -17.225 389 HH TYR 50 HH TYR 50 -24.016 12.302 -15.473 390 H PHE 51 H PHE 51 -15.745 12.564 -13.701 391 HA PHE 51 HA PHE 51 -13.310 12.883 -15.307 392 1HB PHE 51 2HB PHE 51 -13.807 12.935 -12.332 393 2HB PHE 51 3HB PHE 51 -12.187 12.855 -13.017 394 HD1 PHE 51 HD1 PHE 51 -15.312 14.857 -13.409 395 HD2 PHE 51 HD2 PHE 51 -11.058 14.830 -13.281 396 HE1 PHE 51 HE1 PHE 51 -15.293 17.307 -13.637 397 HE2 PHE 51 HE2 PHE 51 -11.032 17.279 -13.508 398 HZ PHE 51 HZ PHE 51 -13.151 18.521 -13.686 399 H ARG 52 H ARG 52 -12.024 11.206 -15.777 400 HA ARG 52 HA ARG 52 -12.435 8.673 -14.343 401 1HB ARG 52 2HB ARG 52 -12.102 8.931 -17.337 402 2HB ARG 52 3HB ARG 52 -12.298 7.434 -16.436 403 1HG ARG 52 2HG ARG 52 -14.409 9.503 -16.170 404 2HG ARG 52 3HG ARG 52 -14.315 8.593 -17.679 405 1HD ARG 52 2HD ARG 52 -14.087 6.595 -15.869 406 2HD ARG 52 3HD ARG 52 -15.111 7.723 -14.981 407 HE ARG 52 HE ARG 52 -15.822 6.198 -17.325 408 1HH1 ARG 52 2HH1 ARG 52 -16.567 8.951 -15.328 409 2HH1 ARG 52 1HH1 ARG 52 -18.221 9.037 -15.836 410 1HH2 ARG 52 2HH2 ARG 52 -17.998 6.301 -18.002 411 2HH2 ARG 52 1HH2 ARG 52 -19.034 7.528 -17.357 412 H ILE 53 H ILE 53 -10.608 7.746 -13.670 413 HA ILE 53 HA ILE 53 -8.067 8.742 -14.780 414 HB ILE 53 HB ILE 53 -7.082 8.700 -12.718 415 1HG1 ILE 53 2HG1 ILE 53 -8.276 7.307 -10.806 416 2HG1 ILE 53 3HG1 ILE 53 -8.955 6.436 -12.176 417 1HG2 ILE 53 1HG2 ILE 53 -9.317 10.083 -12.809 418 2HG2 ILE 53 2HG2 ILE 53 -9.810 8.946 -11.556 419 3HG2 ILE 53 3HG2 ILE 53 -8.385 9.957 -11.317 420 1HD1 ILE 53 1HD1 ILE 53 -6.266 6.589 -12.768 421 2HD1 ILE 53 2HD1 ILE 53 -6.306 6.312 -11.027 422 3HD1 ILE 53 3HD1 ILE 53 -7.123 5.192 -12.117 423 H LEU 54 H LEU 54 -6.597 7.321 -15.541 424 HA LEU 54 HA LEU 54 -7.230 4.454 -15.284 425 1HB LEU 54 2HB LEU 54 -7.397 5.756 -17.580 426 2HB LEU 54 3HB LEU 54 -5.657 5.478 -17.593 427 HG LEU 54 HG LEU 54 -7.856 3.421 -17.615 428 1HD1 LEU 54 1HD1 LEU 54 -7.078 2.851 -19.742 429 2HD1 LEU 54 2HD1 LEU 54 -5.560 3.721 -19.521 430 3HD1 LEU 54 3HD1 LEU 54 -7.065 4.614 -19.732 431 1HD2 LEU 54 1HD2 LEU 54 -5.830 1.831 -17.763 432 2HD2 LEU 54 2HD2 LEU 54 -6.326 2.425 -16.177 433 3HD2 LEU 54 3HD2 LEU 54 -4.938 3.145 -16.996 434 H PHE 55 H PHE 55 -5.721 3.236 -14.362 435 HA PHE 55 HA PHE 55 -2.936 4.185 -14.375 436 1HB PHE 55 2HB PHE 55 -3.583 4.674 -12.176 437 2HB PHE 55 3HB PHE 55 -4.587 3.233 -12.052 438 HD1 PHE 55 HD1 PHE 55 -3.723 2.196 -10.148 439 HD2 PHE 55 HD2 PHE 55 -1.087 3.446 -13.247 440 HE1 PHE 55 HE1 PHE 55 -1.873 1.001 -9.051 441 HE2 PHE 55 HE2 PHE 55 0.768 2.252 -12.156 442 HZ PHE 55 HZ PHE 55 0.376 1.027 -10.056 443 H GLN 56 H GLN 56 -1.644 2.758 -15.309 444 HA GLN 56 HA GLN 56 -2.183 -0.105 -14.946 445 1HB GLN 56 2HB GLN 56 -2.041 -0.610 -17.204 446 2HB GLN 56 3HB GLN 56 -2.930 0.907 -17.226 447 1HG GLN 56 2HG GLN 56 -0.824 2.098 -17.699 448 2HG GLN 56 3HG GLN 56 0.009 0.546 -17.762 449 1HE2 GLN 56 1HE2 GLN 56 0.470 0.101 -19.790 450 2HE2 GLN 56 2HE2 GLN 56 -0.596 0.273 -21.139 451 H SER 57 H SER 57 -0.346 -1.468 -15.110 452 HA SER 57 HA SER 57 2.201 -0.033 -14.740 453 1HB SER 57 2HB SER 57 2.865 -1.616 -13.155 454 2HB SER 57 3HB SER 57 1.142 -1.442 -12.819 455 HG SER 57 HG SER 57 2.538 -3.577 -13.938 456 H LYS 58 H LYS 58 4.127 -1.618 -15.163 457 HA LYS 58 HA LYS 58 3.762 -2.609 -17.890 458 1HB LYS 58 2HB LYS 58 5.631 -0.969 -17.081 459 2HB LYS 58 3HB LYS 58 6.415 -2.434 -16.503 460 1HG LYS 58 2HG LYS 58 7.339 -2.150 -18.598 461 2HG LYS 58 3HG LYS 58 6.041 -3.306 -18.904 462 1HD LYS 58 2HD LYS 58 5.667 -1.818 -20.605 463 2HD LYS 58 3HD LYS 58 4.649 -1.113 -19.348 464 1HE LYS 58 2HE LYS 58 5.812 0.728 -20.121 465 2HE LYS 58 3HE LYS 58 6.783 0.232 -18.736 466 1HZ LYS 58 1HZ LYS 58 8.518 -0.064 -20.057 467 2HZ LYS 58 2HZ LYS 58 7.622 0.546 -21.356 468 3HZ LYS 58 3HZ LYS 58 7.653 -1.119 -21.058 469 H LYS 59 H LYS 59 4.338 -3.710 -14.672 470 HA LYS 59 HA LYS 59 5.381 -6.285 -15.429 471 1HB LYS 59 2HB LYS 59 4.309 -5.293 -12.780 472 2HB LYS 59 3HB LYS 59 5.141 -6.823 -13.028 473 1HG LYS 59 2HG LYS 59 6.560 -4.391 -13.920 474 2HG LYS 59 3HG LYS 59 6.366 -4.608 -12.179 475 1HD LYS 59 2HD LYS 59 8.438 -5.612 -12.794 476 2HD LYS 59 3HD LYS 59 7.302 -6.920 -12.458 477 1HE LYS 59 2HE LYS 59 7.063 -7.452 -14.713 478 2HE LYS 59 3HE LYS 59 7.672 -5.885 -15.245 479 1HZ LYS 59 1HZ LYS 59 9.430 -7.724 -13.762 480 2HZ LYS 59 2HZ LYS 59 9.843 -6.500 -14.854 481 3HZ LYS 59 3HZ LYS 59 9.181 -7.949 -15.420 482 H LEU 60 H LEU 60 2.391 -4.945 -15.679 483 HA LEU 60 HA LEU 60 0.526 -6.655 -14.672 484 1HB LEU 60 2HB LEU 60 -0.041 -4.673 -15.954 485 2HB LEU 60 3HB LEU 60 0.564 -5.430 -17.426 486 HG LEU 60 HG LEU 60 -1.989 -5.315 -16.997 487 1HD1 LEU 60 1HD1 LEU 60 -1.045 -8.057 -17.694 488 2HD1 LEU 60 2HD1 LEU 60 -0.574 -6.691 -18.704 489 3HD1 LEU 60 3HD1 LEU 60 -2.281 -7.061 -18.463 490 1HD2 LEU 60 1HD2 LEU 60 -1.542 -6.405 -14.667 491 2HD2 LEU 60 2HD2 LEU 60 -1.546 -7.909 -15.589 492 3HD2 LEU 60 3HD2 LEU 60 -2.966 -6.863 -15.602 493 H SER 61 H SER 61 0.683 -8.806 -14.605 494 HA SER 61 HA SER 61 1.439 -10.235 -17.064 495 1HB SER 61 2HB SER 61 2.731 -10.518 -14.810 496 2HB SER 61 3HB SER 61 1.362 -11.533 -14.358 497 HG SER 61 HG SER 61 1.791 -12.714 -16.341 498 H GLU 62 H GLU 62 0.239 -12.055 -17.722 499 HA GLU 62 HA GLU 62 -2.569 -11.812 -17.332 500 1HB GLU 62 2HB GLU 62 -1.082 -14.105 -18.620 501 2HB GLU 62 3HB GLU 62 -2.771 -13.674 -18.854 502 1HG GLU 62 2HG GLU 62 -1.838 -11.425 -19.710 503 2HG GLU 62 3HG GLU 62 -0.318 -12.304 -19.869 504 H LEU 63 H LEU 63 -0.086 -13.943 -16.065 505 HA LEU 63 HA LEU 63 -2.051 -15.584 -14.680 506 1HB LEU 63 2HB LEU 63 -0.198 -16.959 -14.017 507 2HB LEU 63 3HB LEU 63 -0.087 -16.621 -15.743 508 HG LEU 63 HG LEU 63 1.451 -14.657 -14.411 509 1HD1 LEU 63 1HD1 LEU 63 1.288 -16.631 -12.636 510 2HD1 LEU 63 2HD1 LEU 63 2.765 -15.702 -12.887 511 3HD1 LEU 63 3HD1 LEU 63 2.580 -17.285 -13.642 512 1HD2 LEU 63 1HD2 LEU 63 3.279 -15.685 -15.664 513 2HD2 LEU 63 2HD2 LEU 63 1.834 -15.518 -16.661 514 3HD2 LEU 63 3HD2 LEU 63 2.268 -17.093 -15.993 515 H HIS 64 H HIS 64 -0.828 -16.207 -12.339 516 HA HIS 64 HA HIS 64 -0.560 -15.542 -10.179 517 1HB HIS 64 2HB HIS 64 1.265 -14.115 -11.449 518 2HB HIS 64 3HB HIS 64 0.207 -12.776 -11.016 519 HD1 HIS 64 HD1 HIS 64 -0.538 -14.210 -8.187 520 HD2 HIS 64 HD2 HIS 64 3.227 -13.232 -9.646 521 HE1 HIS 64 HE1 HIS 64 0.939 -14.016 -6.160 522 HA PRO 65 HA PRO 65 -4.647 -13.305 -10.545 523 1HB PRO 65 2HB PRO 65 -6.111 -15.242 -9.330 524 2HB PRO 65 3HB PRO 65 -5.794 -15.226 -11.069 525 1HG PRO 65 2HG PRO 65 -4.429 -16.785 -8.909 526 2HG PRO 65 3HG PRO 65 -4.942 -17.319 -10.520 527 1HD PRO 65 2HD PRO 65 -2.377 -16.664 -9.950 528 2HD PRO 65 3HD PRO 65 -3.097 -16.397 -11.550 529 H GLU 66 H GLU 66 -2.609 -14.533 -8.120 530 HA GLU 66 HA GLU 66 -4.148 -13.847 -5.827 531 1HB GLU 66 2HB GLU 66 -1.599 -15.015 -6.367 532 2HB GLU 66 3HB GLU 66 -1.371 -13.696 -5.228 533 1HG GLU 66 2HG GLU 66 -2.956 -14.668 -3.706 534 2HG GLU 66 3HG GLU 66 -3.356 -15.928 -4.871 535 H GLU 67 H GLU 67 -1.489 -12.219 -7.539 536 HA GLU 67 HA GLU 67 -1.412 -9.939 -5.889 537 1HB GLU 67 2HB GLU 67 -0.234 -8.873 -7.827 538 2HB GLU 67 3HB GLU 67 0.455 -10.405 -7.309 539 1HG GLU 67 2HG GLU 67 -0.324 -11.535 -9.181 540 2HG GLU 67 3HG GLU 67 -1.529 -10.300 -9.543 541 H ARG 68 H ARG 68 -3.402 -10.806 -8.624 542 HA ARG 68 HA ARG 68 -4.382 -8.267 -9.300 543 1HB ARG 68 2HB ARG 68 -5.984 -10.816 -9.463 544 2HB ARG 68 3HB ARG 68 -6.104 -9.394 -10.491 545 1HG ARG 68 2HG ARG 68 -3.756 -9.901 -11.260 546 2HG ARG 68 3HG ARG 68 -3.914 -11.448 -10.424 547 1HD ARG 68 2HD ARG 68 -5.433 -10.423 -12.798 548 2HD ARG 68 3HD ARG 68 -4.517 -11.920 -12.633 549 HE ARG 68 HE ARG 68 -6.477 -12.240 -10.821 550 1HH1 ARG 68 2HH1 ARG 68 -6.507 -11.294 -14.171 551 2HH1 ARG 68 1HH1 ARG 68 -8.073 -11.968 -14.482 552 1HH2 ARG 68 2HH2 ARG 68 -8.538 -13.132 -11.218 553 2HH2 ARG 68 1HH2 ARG 68 -9.227 -13.013 -12.802 554 H LYS 69 H LYS 69 -5.803 -10.752 -7.175 555 HA LYS 69 HA LYS 69 -7.960 -9.132 -6.314 556 1HB LYS 69 2HB LYS 69 -8.235 -10.841 -4.535 557 2HB LYS 69 3HB LYS 69 -8.101 -11.539 -6.144 558 1HG LYS 69 2HG LYS 69 -5.783 -12.120 -5.726 559 2HG LYS 69 3HG LYS 69 -5.865 -11.363 -4.133 560 1HD LYS 69 2HD LYS 69 -7.746 -13.568 -4.913 561 2HD LYS 69 3HD LYS 69 -6.135 -13.917 -4.283 562 1HE LYS 69 2HE LYS 69 -6.695 -12.497 -2.302 563 2HE LYS 69 3HE LYS 69 -8.344 -12.390 -2.915 564 1HZ LYS 69 1HZ LYS 69 -8.080 -14.993 -2.939 565 2HZ LYS 69 2HZ LYS 69 -8.554 -14.167 -1.541 566 3HZ LYS 69 3HZ LYS 69 -6.948 -14.666 -1.724 567 H LYS 70 H LYS 70 -4.694 -9.622 -5.144 568 HA LYS 70 HA LYS 70 -4.950 -8.481 -2.599 569 1HB LYS 70 2HB LYS 70 -2.966 -9.756 -3.545 570 2HB LYS 70 3HB LYS 70 -2.504 -8.264 -4.353 571 1HG LYS 70 2HG LYS 70 -1.234 -8.403 -2.362 572 2HG LYS 70 3HG LYS 70 -2.465 -7.166 -2.100 573 1HD LYS 70 2HD LYS 70 -2.321 -8.544 -0.134 574 2HD LYS 70 3HD LYS 70 -3.855 -8.872 -0.945 575 1HE LYS 70 2HE LYS 70 -3.159 -10.955 -1.689 576 2HE LYS 70 3HE LYS 70 -1.450 -10.550 -1.538 577 1HZ LYS 70 1HZ LYS 70 -3.357 -11.351 0.554 578 2HZ LYS 70 2HZ LYS 70 -2.017 -10.406 0.966 579 3HZ LYS 70 3HZ LYS 70 -1.794 -11.925 0.255 580 H VAL 71 H VAL 71 -3.912 -6.974 -5.658 581 HA VAL 71 HA VAL 71 -3.752 -4.352 -4.580 582 HB VAL 71 HB VAL 71 -3.593 -3.587 -6.896 583 1HG1 VAL 71 1HG1 VAL 71 -1.736 -5.331 -7.591 584 2HG1 VAL 71 2HG1 VAL 71 -1.504 -4.231 -6.231 585 3HG1 VAL 71 3HG1 VAL 71 -1.990 -5.901 -5.942 586 1HG2 VAL 71 1HG2 VAL 71 -4.251 -6.441 -7.619 587 2HG2 VAL 71 2HG2 VAL 71 -5.276 -5.033 -7.896 588 3HG2 VAL 71 3HG2 VAL 71 -3.742 -5.188 -8.751 589 H ARG 72 H ARG 72 -6.302 -6.196 -6.129 590 HA ARG 72 HA ARG 72 -8.077 -4.125 -6.728 591 1HB ARG 72 2HB ARG 72 -8.124 -6.972 -6.697 592 2HB ARG 72 3HB ARG 72 -9.562 -6.400 -5.863 593 1HG ARG 72 2HG ARG 72 -10.426 -6.349 -7.931 594 2HG ARG 72 3HG ARG 72 -9.593 -4.796 -8.028 595 1HD ARG 72 2HD ARG 72 -8.893 -5.843 -9.965 596 2HD ARG 72 3HD ARG 72 -7.583 -6.218 -8.846 597 HE ARG 72 HE ARG 72 -9.221 -8.336 -8.565 598 1HH1 ARG 72 2HH1 ARG 72 -7.858 -6.760 -11.353 599 2HH1 ARG 72 1HH1 ARG 72 -7.808 -8.205 -12.308 600 1HH2 ARG 72 2HH2 ARG 72 -9.160 -10.246 -9.811 601 2HH2 ARG 72 1HH2 ARG 72 -8.549 -10.187 -11.430 602 H GLU 73 H GLU 73 -7.958 -6.188 -3.822 603 HA GLU 73 HA GLU 73 -9.965 -4.700 -2.452 604 1HB GLU 73 2HB GLU 73 -9.414 -6.068 -0.529 605 2HB GLU 73 3HB GLU 73 -9.481 -7.075 -1.968 606 1HG GLU 73 2HG GLU 73 -6.999 -6.924 -2.103 607 2HG GLU 73 3HG GLU 73 -7.019 -6.089 -0.551 608 H LYS 74 H LYS 74 -6.453 -4.635 -2.519 609 HA LYS 74 HA LYS 74 -6.024 -2.978 -0.294 610 1HB LYS 74 2HB LYS 74 -4.230 -4.236 -1.409 611 2HB LYS 74 3HB LYS 74 -4.390 -3.209 -2.828 612 1HG LYS 74 2HG LYS 74 -2.549 -2.341 -1.709 613 2HG LYS 74 3HG LYS 74 -3.868 -1.265 -1.245 614 1HD LYS 74 2HD LYS 74 -2.794 -1.687 0.774 615 2HD LYS 74 3HD LYS 74 -4.133 -2.836 0.787 616 1HE LYS 74 2HE LYS 74 -2.430 -4.230 1.388 617 2HE LYS 74 3HE LYS 74 -2.337 -4.395 -0.365 618 1HZ LYS 74 1HZ LYS 74 -0.786 -2.201 0.631 619 2HZ LYS 74 2HZ LYS 74 -0.333 -3.461 -0.403 620 3HZ LYS 74 3HZ LYS 74 -0.290 -3.685 1.274 621 H PHE 75 H PHE 75 -6.266 -2.141 -3.749 622 HA PHE 75 HA PHE 75 -6.139 0.662 -3.305 623 1HB PHE 75 2HB PHE 75 -5.994 0.756 -5.543 624 2HB PHE 75 3HB PHE 75 -6.023 -1.004 -5.519 625 HD1 PHE 75 HD1 PHE 75 -7.984 2.030 -6.104 626 HD2 PHE 75 HD2 PHE 75 -7.996 -2.226 -6.150 627 HE1 PHE 75 HE1 PHE 75 -10.080 2.053 -7.392 628 HE2 PHE 75 HE2 PHE 75 -10.092 -2.210 -7.438 629 HZ PHE 75 HZ PHE 75 -11.137 -0.068 -8.062 630 H ASP 76 H ASP 76 -8.761 -1.656 -3.555 631 HA ASP 76 HA ASP 76 -10.904 0.120 -3.846 632 1HB ASP 76 2HB ASP 76 -11.285 -2.217 -4.181 633 2HB ASP 76 3HB ASP 76 -10.734 -2.603 -2.553 634 H GLU 77 H GLU 77 -9.468 -1.252 -0.893 635 HA GLU 77 HA GLU 77 -11.172 0.180 0.875 636 1HB GLU 77 2HB GLU 77 -8.505 -1.162 1.338 637 2HB GLU 77 3HB GLU 77 -9.514 -0.502 2.617 638 1HG GLU 77 2HG GLU 77 -10.276 -2.728 0.740 639 2HG GLU 77 3HG GLU 77 -9.780 -2.911 2.422 640 H ASN 78 H ASN 78 -7.802 0.662 -0.153 641 HA ASN 78 HA ASN 78 -7.177 2.889 1.352 642 1HB ASN 78 2HB ASN 78 -6.298 1.965 -1.368 643 2HB ASN 78 3HB ASN 78 -5.710 3.491 -0.715 644 1HD2 ASN 78 1HD2 ASN 78 -4.223 1.095 -1.344 645 2HD2 ASN 78 2HD2 ASN 78 -3.463 0.589 0.123 646 H SER 79 H SER 79 -8.959 2.697 -1.685 647 HA SER 79 HA SER 79 -9.153 5.540 -2.006 648 1HB SER 79 2HB SER 79 -9.390 4.580 -4.069 649 2HB SER 79 3HB SER 79 -10.179 3.140 -3.426 650 HG SER 79 HG SER 79 -11.622 4.451 -4.627 651 H ARG 80 H ARG 80 -11.304 2.978 -0.847 652 HA ARG 80 HA ARG 80 -13.524 4.702 -0.388 653 1HB ARG 80 2HB ARG 80 -14.640 2.831 0.320 654 2HB ARG 80 3HB ARG 80 -13.355 2.069 -0.608 655 1HG ARG 80 2HG ARG 80 -13.161 0.826 1.260 656 2HG ARG 80 3HG ARG 80 -12.153 2.178 1.777 657 1HD ARG 80 2HD ARG 80 -13.635 2.852 3.327 658 2HD ARG 80 3HD ARG 80 -15.020 2.526 2.285 659 HE ARG 80 HE ARG 80 -13.814 0.123 3.225 660 1HH1 ARG 80 2HH1 ARG 80 -15.944 2.722 4.135 661 2HH1 ARG 80 1HH1 ARG 80 -16.803 1.781 5.309 662 1HH2 ARG 80 2HH2 ARG 80 -14.937 -1.126 4.768 663 2HH2 ARG 80 1HH2 ARG 80 -16.229 -0.407 5.669 664 H MET 81 H MET 81 -10.594 4.364 1.188 665 HA MET 81 HA MET 81 -11.046 4.433 3.872 666 1HB MET 81 2HB MET 81 -9.064 5.863 2.141 667 2HB MET 81 3HB MET 81 -9.107 6.198 3.867 668 1HG MET 81 2HG MET 81 -9.067 3.352 3.144 669 2HG MET 81 3HG MET 81 -7.620 4.264 2.719 670 1HE MET 81 1HE MET 81 -8.903 1.992 4.715 671 2HE MET 81 2HE MET 81 -7.970 2.036 6.210 672 3HE MET 81 3HE MET 81 -9.566 2.784 6.145 673 H GLN 82 H GLN 82 -11.202 6.191 5.421 674 HA GLN 82 HA GLN 82 -13.310 7.994 4.754 675 1HB GLN 82 2HB GLN 82 -11.591 7.953 7.239 676 2HB GLN 82 3HB GLN 82 -13.154 8.738 7.060 677 1HG GLN 82 2HG GLN 82 -14.163 6.505 6.660 678 2HG GLN 82 3HG GLN 82 -12.595 5.783 7.017 679 1HE2 GLN 82 1HE2 GLN 82 -15.500 6.358 8.296 680 2HE2 GLN 82 2HE2 GLN 82 -15.092 6.489 9.969 681 H TYR 83 H TYR 83 -13.225 10.332 5.076 682 HA TYR 83 HA TYR 83 -11.280 11.567 3.513 683 1HB TYR 83 2HB TYR 83 -13.613 12.417 4.188 684 2HB TYR 83 3HB TYR 83 -12.830 13.028 5.641 685 HD1 TYR 83 HD1 TYR 83 -11.455 12.954 2.190 686 HD2 TYR 83 HD2 TYR 83 -12.986 15.352 5.354 687 HE1 TYR 83 HE1 TYR 83 -10.785 14.982 0.970 688 HE2 TYR 83 HE2 TYR 83 -12.321 17.386 4.143 689 HH TYR 83 HH TYR 83 -11.901 17.810 1.350 690 H SER 84 H SER 84 -11.435 11.056 6.981 691 HA SER 84 HA SER 84 -9.445 12.810 7.823 692 1HB SER 84 2HB SER 84 -9.768 10.083 9.051 693 2HB SER 84 3HB SER 84 -9.417 11.619 9.844 694 HG SER 84 HG SER 84 -11.489 11.639 10.198 695 H GLU 85 H GLU 85 -9.136 9.386 6.892 696 HA GLU 85 HA GLU 85 -6.282 9.414 7.086 697 1HB GLU 85 2HB GLU 85 -8.128 7.435 7.089 698 2HB GLU 85 3HB GLU 85 -7.577 7.340 5.422 699 1HG GLU 85 2HG GLU 85 -6.107 5.906 6.375 700 2HG GLU 85 3HG GLU 85 -5.204 7.406 6.578 701 H LEU 86 H LEU 86 -8.622 9.788 4.489 702 HA LEU 86 HA LEU 86 -6.825 9.610 2.326 703 1HB LEU 86 2HB LEU 86 -9.526 9.864 2.596 704 2HB LEU 86 3HB LEU 86 -9.078 11.459 1.994 705 HG LEU 86 HG LEU 86 -9.730 10.061 0.149 706 1HD1 LEU 86 1HD1 LEU 86 -7.615 10.088 -1.175 707 2HD1 LEU 86 2HD1 LEU 86 -6.759 10.532 0.301 708 3HD1 LEU 86 3HD1 LEU 86 -7.988 11.609 -0.363 709 1HD2 LEU 86 1HD2 LEU 86 -7.584 8.152 0.156 710 2HD2 LEU 86 2HD2 LEU 86 -9.325 7.880 0.064 711 3HD2 LEU 86 3HD2 LEU 86 -8.533 8.010 1.636 712 H MET 87 H MET 87 -7.868 12.317 4.334 713 HA MET 87 HA MET 87 -6.394 14.252 2.785 714 1HB MET 87 2HB MET 87 -8.067 14.327 5.260 715 2HB MET 87 3HB MET 87 -6.967 15.661 4.941 716 1HG MET 87 2HG MET 87 -8.921 14.723 2.876 717 2HG MET 87 3HG MET 87 -9.384 15.862 4.138 718 1HE MET 87 1HE MET 87 -7.014 16.592 0.372 719 2HE MET 87 2HE MET 87 -7.445 15.037 1.084 720 3HE MET 87 3HE MET 87 -8.707 16.106 0.470 721 H THR 88 H THR 88 -5.940 12.424 5.747 722 HA THR 88 HA THR 88 -3.693 13.825 6.722 723 HB THR 88 HB THR 88 -4.616 10.986 7.171 724 HG1 THR 88 HG1 THR 88 -5.793 11.917 8.655 725 1HG2 THR 88 1HG2 THR 88 -3.033 10.955 9.077 726 2HG2 THR 88 2HG2 THR 88 -2.356 12.480 8.506 727 3HG2 THR 88 3HG2 THR 88 -2.219 11.028 7.514 728 H LYS 89 H LYS 89 -3.951 10.867 4.763 729 HA LYS 89 HA LYS 89 -1.149 10.508 4.485 730 1HB LYS 89 2HB LYS 89 -3.493 9.103 3.765 731 2HB LYS 89 3HB LYS 89 -2.595 9.372 2.277 732 1HG LYS 89 2HG LYS 89 -1.718 7.375 2.964 733 2HG LYS 89 3HG LYS 89 -0.572 8.507 3.687 734 1HD LYS 89 2HD LYS 89 -2.967 7.655 5.251 735 2HD LYS 89 3HD LYS 89 -1.596 6.554 5.106 736 1HE LYS 89 2HE LYS 89 -0.125 8.387 5.931 737 2HE LYS 89 3HE LYS 89 -1.568 9.360 6.209 738 1HZ LYS 89 1HZ LYS 89 -2.020 8.267 8.079 739 2HZ LYS 89 2HZ LYS 89 -0.439 7.670 8.000 740 3HZ LYS 89 3HZ LYS 89 -1.722 6.750 7.392 741 H TYR 90 H TYR 90 -3.230 12.779 3.174 742 HA TYR 90 HA TYR 90 -1.665 13.116 0.723 743 1HB TYR 90 2HB TYR 90 -3.958 13.253 0.235 744 2HB TYR 90 3HB TYR 90 -4.301 14.210 1.672 745 HD1 TYR 90 HD1 TYR 90 -5.156 16.252 1.008 746 HD2 TYR 90 HD2 TYR 90 -1.818 14.647 -1.086 747 HE1 TYR 90 HE1 TYR 90 -5.009 18.313 -0.325 748 HE2 TYR 90 HE2 TYR 90 -1.661 16.705 -2.425 749 HH TYR 90 HH TYR 90 -3.284 19.548 -1.622 750 H HIS 91 H HIS 91 -2.681 14.929 3.599 751 HA HIS 91 HA HIS 91 -0.820 17.077 2.944 752 1HB HIS 91 2HB HIS 91 -2.967 17.820 3.708 753 2HB HIS 91 3HB HIS 91 -2.896 16.765 5.116 754 HD1 HIS 91 HD1 HIS 91 -1.710 20.051 3.830 755 HD2 HIS 91 HD2 HIS 91 -1.294 17.707 7.235 756 HE1 HIS 91 HE1 HIS 91 -0.683 21.557 5.562 757 H ASP 92 H ASP 92 -1.522 15.035 5.786 758 HA ASP 92 HA ASP 92 0.767 15.691 7.239 759 1HB ASP 92 2HB ASP 92 -1.419 13.945 7.541 760 2HB ASP 92 3HB ASP 92 0.021 12.942 7.691 761 H LEU 93 H LEU 93 0.333 13.547 4.550 762 HA LEU 93 HA LEU 93 2.993 12.386 4.925 763 1HB LEU 93 2HB LEU 93 0.569 11.399 3.917 764 2HB LEU 93 3HB LEU 93 1.651 11.525 2.532 765 HG LEU 93 HG LEU 93 1.797 9.306 3.410 766 1HD1 LEU 93 1HD1 LEU 93 3.883 10.274 2.626 767 2HD1 LEU 93 2HD1 LEU 93 4.176 9.175 3.973 768 3HD1 LEU 93 3HD1 LEU 93 4.207 10.918 4.236 769 1HD2 LEU 93 1HD2 LEU 93 2.852 10.144 6.043 770 2HD2 LEU 93 2HD2 LEU 93 1.895 8.730 5.599 771 3HD2 LEU 93 3HD2 LEU 93 1.112 10.299 5.794 772 H LYS 94 H LYS 94 1.438 14.889 3.259 773 HA LYS 94 HA LYS 94 2.777 15.007 0.827 774 1HB LYS 94 2HB LYS 94 1.491 16.820 0.648 775 2HB LYS 94 3HB LYS 94 1.100 16.710 2.359 776 1HG LYS 94 2HG LYS 94 3.707 17.877 1.970 777 2HG LYS 94 3HG LYS 94 2.469 18.758 1.072 778 1HD LYS 94 2HD LYS 94 2.166 19.818 3.040 779 2HD LYS 94 3HD LYS 94 1.197 18.394 3.428 780 1HE LYS 94 2HE LYS 94 3.058 17.375 4.561 781 2HE LYS 94 3HE LYS 94 4.135 18.673 4.047 782 1HZ LYS 94 1HZ LYS 94 1.965 19.825 5.376 783 2HZ LYS 94 2HZ LYS 94 3.585 19.788 5.860 784 3HZ LYS 94 3HZ LYS 94 2.531 18.555 6.340 785 H LYS 95 H LYS 95 3.928 15.615 4.027 786 HA LYS 95 HA LYS 95 6.026 17.339 3.698 787 1HB LYS 95 2HB LYS 95 5.685 14.907 5.421 788 2HB LYS 95 3HB LYS 95 7.201 15.797 5.442 789 1HG LYS 95 2HG LYS 95 4.513 17.033 5.988 790 2HG LYS 95 3HG LYS 95 5.610 16.439 7.237 791 1HD LYS 95 2HD LYS 95 6.281 18.575 5.213 792 2HD LYS 95 3HD LYS 95 5.790 18.878 6.881 793 1HE LYS 95 2HE LYS 95 7.772 17.279 7.451 794 2HE LYS 95 3HE LYS 95 8.325 17.694 5.829 795 1HZ LYS 95 1HZ LYS 95 7.602 19.777 7.797 796 2HZ LYS 95 2HZ LYS 95 8.541 19.931 6.399 797 3HZ LYS 95 3HZ LYS 95 9.157 19.112 7.745 798 H GLN 96 H GLN 96 6.259 13.792 3.367 799 HA GLN 96 HA GLN 96 8.733 14.159 1.837 800 1HB GLN 96 2HB GLN 96 7.566 11.612 2.971 801 2HB GLN 96 3HB GLN 96 9.159 11.802 2.250 802 1HG GLN 96 2HG GLN 96 8.406 13.455 4.614 803 2HG GLN 96 3HG GLN 96 8.878 11.770 4.834 804 1HE2 GLN 96 1HE2 GLN 96 10.986 11.143 4.372 805 2HE2 GLN 96 2HE2 GLN 96 12.269 12.288 4.206 806 H GLY 97 H GLY 97 5.454 13.001 1.587 807 1HA GLY 97 2HA GLY 97 5.945 11.925 -1.091 808 2HA GLY 97 3HA GLY 97 4.460 11.762 -0.164 809 H LYS 98 H LYS 98 6.427 14.058 -1.995 810 HA LYS 98 HA LYS 98 4.655 16.202 -2.053 811 1HB LYS 98 2HB LYS 98 5.824 16.903 -4.098 812 2HB LYS 98 3HB LYS 98 6.952 16.377 -2.855 813 1HG LYS 98 2HG LYS 98 7.884 15.167 -4.477 814 2HG LYS 98 3HG LYS 98 6.523 14.067 -4.246 815 1HD LYS 98 2HD LYS 98 5.617 16.131 -5.937 816 2HD LYS 98 3HD LYS 98 7.205 15.648 -6.537 817 1HE LYS 98 2HE LYS 98 6.149 13.227 -6.100 818 2HE LYS 98 3HE LYS 98 4.667 14.128 -6.418 819 1HZ LYS 98 1HZ LYS 98 6.766 13.347 -8.229 820 2HZ LYS 98 2HZ LYS 98 6.296 14.964 -8.396 821 3HZ LYS 98 3HZ LYS 98 5.149 13.730 -8.547 822 H ILE 99 H ILE 99 3.484 16.976 -4.060 823 HA ILE 99 HA ILE 99 2.283 14.830 -5.629 824 HB ILE 99 HB ILE 99 0.755 14.942 -3.786 825 1HG1 ILE 99 2HG1 ILE 99 -0.340 16.493 -6.143 826 2HG1 ILE 99 3HG1 ILE 99 -0.249 14.740 -6.015 827 1HG2 ILE 99 1HG2 ILE 99 1.483 17.676 -3.736 828 2HG2 ILE 99 2HG2 ILE 99 -0.264 17.592 -3.952 829 3HG2 ILE 99 3HG2 ILE 99 0.494 16.785 -2.580 830 1HD1 ILE 99 1HD1 ILE 99 -1.956 16.605 -4.391 831 2HD1 ILE 99 2HD1 ILE 99 -2.485 15.398 -5.564 832 3HD1 ILE 99 3HD1 ILE 99 -1.761 14.888 -4.039 833 H LYS 100 H LYS 100 1.542 15.467 -7.623 834 HA LYS 100 HA LYS 100 1.816 18.326 -8.280 835 1HB LYS 100 2HB LYS 100 2.525 16.051 -10.135 836 2HB LYS 100 3HB LYS 100 2.798 17.768 -10.400 837 1HG LYS 100 2HG LYS 100 4.250 17.600 -8.253 838 2HG LYS 100 3HG LYS 100 4.257 15.873 -8.616 839 1HD LYS 100 2HD LYS 100 6.164 16.658 -9.698 840 2HD LYS 100 3HD LYS 100 4.961 16.600 -10.989 841 1HE LYS 100 2HE LYS 100 6.023 18.674 -11.250 842 2HE LYS 100 3HE LYS 100 4.500 19.046 -10.442 843 1HZ LYS 100 1HZ LYS 100 5.927 18.819 -8.313 844 2HZ LYS 100 2HZ LYS 100 6.008 20.246 -9.218 845 3HZ LYS 100 3HZ LYS 100 7.233 19.088 -9.355 846 H ASP 101 H ASP 101 0.428 19.140 -9.889 847 HA ASP 101 HA ASP 101 -1.949 17.467 -10.358 848 1HB ASP 101 2HB ASP 101 -2.426 19.446 -9.017 849 2HB ASP 101 3HB ASP 101 -1.694 20.479 -10.242 850 H ARG 102 H ARG 102 -1.262 16.492 -12.262 851 HA ARG 102 HA ARG 102 -0.235 18.001 -14.464 852 1HB ARG 102 2HB ARG 102 -1.101 15.163 -14.054 853 2HB ARG 102 3HB ARG 102 -0.840 15.763 -15.687 854 1HG ARG 102 2HG ARG 102 1.217 15.896 -13.495 855 2HG ARG 102 3HG ARG 102 1.117 14.601 -14.690 856 1HD ARG 102 2HD ARG 102 1.381 16.278 -16.481 857 2HD ARG 102 3HD ARG 102 1.558 17.531 -15.253 858 HE ARG 102 HE ARG 102 3.539 15.618 -16.078 859 1HH1 ARG 102 2HH1 ARG 102 2.478 17.724 -13.517 860 2HH1 ARG 102 1HH1 ARG 102 4.051 17.863 -12.803 861 1HH2 ARG 102 2HH2 ARG 102 5.614 15.794 -15.148 862 2HH2 ARG 102 1HH2 ARG 102 5.834 16.766 -13.732 863 HA PRO 103 HA PRO 103 -3.898 19.281 -16.511 864 1HB PRO 103 2HB PRO 103 -3.262 18.897 -19.122 865 2HB PRO 103 3HB PRO 103 -2.553 20.185 -18.140 866 1HG PRO 103 2HG PRO 103 -1.415 17.513 -18.868 867 2HG PRO 103 3HG PRO 103 -0.620 19.098 -18.839 868 1HD PRO 103 2HD PRO 103 -0.332 17.288 -16.846 869 2HD PRO 103 3HD PRO 103 -0.305 19.039 -16.557 870 H VAL 104 H VAL 104 -5.841 18.433 -16.986 871 HA VAL 104 HA VAL 104 -6.117 15.583 -17.222 872 HB VAL 104 HB VAL 104 -7.713 16.998 -15.932 873 1HG1 VAL 104 1HG1 VAL 104 -9.357 18.330 -17.040 874 2HG1 VAL 104 2HG1 VAL 104 -7.770 18.850 -17.612 875 3HG1 VAL 104 3HG1 VAL 104 -8.781 17.820 -18.626 876 1HG2 VAL 104 1HG2 VAL 104 -8.834 15.317 -18.169 877 2HG2 VAL 104 2HG2 VAL 104 -8.377 14.776 -16.554 878 3HG2 VAL 104 3HG2 VAL 104 -9.759 15.850 -16.766 879 H LYS 105 H LYS 105 -6.595 14.391 -18.986 880 HA LYS 105 HA LYS 105 -6.392 15.700 -21.574 881 1HB LYS 105 2HB LYS 105 -6.087 12.936 -20.548 882 2HB LYS 105 3HB LYS 105 -6.674 13.094 -22.198 883 1HG LYS 105 2HG LYS 105 -4.236 12.836 -22.078 884 2HG LYS 105 3HG LYS 105 -4.719 14.364 -22.818 885 1HD LYS 105 2HD LYS 105 -4.184 15.585 -20.854 886 2HD LYS 105 3HD LYS 105 -4.015 14.109 -19.901 887 1HE LYS 105 2HE LYS 105 -2.263 14.689 -22.272 888 2HE LYS 105 3HE LYS 105 -1.873 15.279 -20.657 889 1HZ LYS 105 1HZ LYS 105 -1.028 12.954 -21.562 890 2HZ LYS 105 2HZ LYS 105 -2.503 12.444 -20.911 891 3HZ LYS 105 3HZ LYS 105 -1.366 13.215 -19.925 892 H GLU 106 H GLU 106 -7.984 15.826 -23.084 893 HA GLU 106 HA GLU 106 -10.688 15.550 -22.177 894 1HB GLU 106 2HB GLU 106 -9.344 16.566 -24.632 895 2HB GLU 106 3HB GLU 106 -11.034 16.102 -24.760 896 1HG GLU 106 2HG GLU 106 -11.666 17.682 -23.084 897 2HG GLU 106 3HG GLU 106 -9.980 18.045 -22.722 898 H VAL 107 H VAL 107 -12.152 13.999 -22.625 899 HA VAL 107 HA VAL 107 -11.223 11.709 -24.228 900 HB VAL 107 HB VAL 107 -12.990 11.877 -21.812 901 1HG1 VAL 107 1HG1 VAL 107 -14.386 10.619 -23.221 902 2HG1 VAL 107 2HG1 VAL 107 -13.025 9.750 -23.934 903 3HG1 VAL 107 3HG1 VAL 107 -13.506 9.424 -22.268 904 1HG2 VAL 107 1HG2 VAL 107 -11.141 11.075 -20.874 905 2HG2 VAL 107 2HG2 VAL 107 -11.365 9.594 -21.805 906 3HG2 VAL 107 3HG2 VAL 107 -10.364 10.896 -22.447 907 H HIS 108 H HIS 108 -12.497 10.873 -25.826 908 HA HIS 108 HA HIS 108 -14.983 12.342 -26.423 909 1HB HIS 108 2HB HIS 108 -12.715 11.506 -28.162 910 2HB HIS 108 3HB HIS 108 -14.335 11.441 -28.851 911 HD1 HIS 108 HD1 HIS 108 -11.579 13.645 -28.593 912 HD2 HIS 108 HD2 HIS 108 -15.699 14.121 -28.351 913 HE1 HIS 108 HE1 HIS 108 -12.000 16.088 -29.021 914 H GLU 109 H GLU 109 -16.262 10.949 -28.181 915 HA GLU 109 HA GLU 109 -17.016 8.549 -26.792 916 1HB GLU 109 2HB GLU 109 -18.068 9.263 -29.502 917 2HB GLU 109 3HB GLU 109 -18.901 8.512 -28.148 918 1HG GLU 109 2HG GLU 109 -18.598 10.764 -26.966 919 2HG GLU 109 3HG GLU 109 -18.227 11.398 -28.569 920 H GLU 110 H GLU 110 -16.181 6.602 -27.102 921 HA GLU 110 HA GLU 110 -15.788 5.332 -29.524 922 1HB GLU 110 2HB GLU 110 -13.761 7.233 -29.084 923 2HB GLU 110 3HB GLU 110 -13.029 5.668 -28.759 924 1HG GLU 110 2HG GLU 110 -13.123 5.021 -30.912 925 2HG GLU 110 3HG GLU 110 -14.658 5.837 -31.205 926 H TYR 111 H TYR 111 -13.665 3.662 -29.083 927 HA TYR 111 HA TYR 111 -14.138 2.549 -26.402 928 1HB TYR 111 2HB TYR 111 -13.917 0.851 -28.887 929 2HB TYR 111 3HB TYR 111 -14.376 0.336 -27.268 930 HD1 TYR 111 HD1 TYR 111 -16.621 0.614 -26.467 931 HD2 TYR 111 HD2 TYR 111 -15.495 2.134 -30.278 932 HE1 TYR 111 HE1 TYR 111 -18.993 0.952 -27.026 933 HE2 TYR 111 HE2 TYR 111 -17.863 2.477 -30.848 934 HH TYR 111 HH TYR 111 -20.217 1.171 -29.788 935 H ASP 112 H ASP 112 -12.109 3.496 -25.837 936 HA ASP 112 HA ASP 112 -9.813 1.954 -26.850 937 1HB ASP 112 2HB ASP 112 -9.446 4.093 -27.757 938 2HB ASP 112 3HB ASP 112 -10.027 4.905 -26.305 939 H LEU 113 H LEU 113 -10.976 3.967 -24.155 940 HA LEU 113 HA LEU 113 -9.065 3.178 -22.273 941 1HB LEU 113 2HB LEU 113 -11.911 3.833 -21.582 942 2HB LEU 113 3HB LEU 113 -10.457 4.132 -20.632 943 HG LEU 113 HG LEU 113 -11.329 5.591 -23.124 944 1HD1 LEU 113 1HD1 LEU 113 -11.485 6.113 -20.223 945 2HD1 LEU 113 2HD1 LEU 113 -12.532 6.653 -21.536 946 3HD1 LEU 113 3HD1 LEU 113 -10.996 7.468 -21.241 947 1HD2 LEU 113 1HD2 LEU 113 -9.177 6.899 -21.881 948 2HD2 LEU 113 2HD2 LEU 113 -9.200 6.118 -23.462 949 3HD2 LEU 113 3HD2 LEU 113 -8.706 5.206 -22.035 950 H TRP 114 H TRP 114 -10.268 2.174 -20.074 951 HA TRP 114 HA TRP 114 -10.288 -0.593 -20.555 952 1HB TRP 114 2HB TRP 114 -10.960 1.141 -18.212 953 2HB TRP 114 3HB TRP 114 -11.386 -0.567 -18.157 954 HD1 TRP 114 HD1 TRP 114 -8.776 1.522 -16.955 955 HE1 TRP 114 HE1 TRP 114 -6.536 0.278 -16.711 956 HE3 TRP 114 HE3 TRP 114 -9.814 -2.585 -19.817 957 HZ2 TRP 114 HZ2 TRP 114 -5.365 -2.127 -17.613 958 HZ3 TRP 114 HZ3 TRP 114 -8.079 -4.311 -20.076 959 HH2 TRP 114 HH2 TRP 114 -5.901 -4.084 -18.996 960 H GLU 115 H GLU 115 -12.926 1.715 -20.048 961 HA GLU 115 HA GLU 115 -15.192 1.513 -20.247 962 1HB GLU 115 2HB GLU 115 -14.113 -0.070 -22.559 963 2HB GLU 115 3HB GLU 115 -15.846 0.078 -22.308 964 1HG GLU 115 2HG GLU 115 -15.561 2.556 -22.337 965 2HG GLU 115 3HG GLU 115 -13.879 2.298 -22.798 966 H ASP 116 H ASP 116 -14.983 0.268 -18.140 967 HA ASP 116 HA ASP 116 -16.784 -1.869 -18.131 968 1HB ASP 116 2HB ASP 116 -14.014 -2.626 -18.592 969 2HB ASP 116 3HB ASP 116 -14.664 -3.374 -17.136 970 HA PRO 117 HA PRO 117 -14.855 -1.491 -13.729 971 1HB PRO 117 2HB PRO 117 -12.601 -0.001 -13.462 972 2HB PRO 117 3HB PRO 117 -12.572 -1.732 -13.820 973 1HG PRO 117 2HG PRO 117 -12.269 0.594 -15.681 974 2HG PRO 117 3HG PRO 117 -11.352 -0.923 -15.627 975 1HD PRO 117 2HD PRO 117 -13.347 -0.490 -17.406 976 2HD PRO 117 3HD PRO 117 -12.987 -2.099 -16.747 977 H ILE 118 H ILE 118 -13.931 1.462 -15.515 978 HA ILE 118 HA ILE 118 -15.065 3.168 -13.496 979 HB ILE 118 HB ILE 118 -14.256 4.988 -14.717 980 1HG1 ILE 118 2HG1 ILE 118 -15.374 4.369 -16.853 981 2HG1 ILE 118 3HG1 ILE 118 -13.735 4.968 -17.082 982 1HG2 ILE 118 1HG2 ILE 118 -12.453 3.609 -13.854 983 2HG2 ILE 118 2HG2 ILE 118 -12.431 2.672 -15.347 984 3HG2 ILE 118 3HG2 ILE 118 -11.969 4.374 -15.368 985 1HD1 ILE 118 1HD1 ILE 118 -12.963 2.620 -17.251 986 2HD1 ILE 118 2HD1 ILE 118 -14.649 2.107 -17.180 987 3HD1 ILE 118 3HD1 ILE 118 -14.086 3.099 -18.524 988 H TRP 119 H TRP 119 -16.249 1.535 -16.230 989 HA TRP 119 HA TRP 119 -18.349 3.395 -16.869 990 1HB TRP 119 2HB TRP 119 -17.295 1.754 -18.493 991 2HB TRP 119 3HB TRP 119 -18.196 0.487 -17.665 992 HD1 TRP 119 HD1 TRP 119 -19.399 3.986 -18.851 993 HE1 TRP 119 HE1 TRP 119 -21.476 3.643 -20.333 994 HE3 TRP 119 HE3 TRP 119 -19.567 -1.123 -18.844 995 HZ2 TRP 119 HZ2 TRP 119 -22.986 1.491 -21.362 996 HZ3 TRP 119 HZ3 TRP 119 -21.359 -2.246 -20.101 997 HH2 TRP 119 HH2 TRP 119 -23.032 -0.964 -21.333 998 H GLN 120 H GLN 120 -17.930 0.674 -14.751 999 HA GLN 120 HA GLN 120 -20.772 0.364 -14.275 1000 1HB GLN 120 2HB GLN 120 -18.303 -0.987 -13.224 1001 2HB GLN 120 3HB GLN 120 -19.863 -1.234 -12.450 1002 1HG GLN 120 2HG GLN 120 -19.253 -1.794 -15.343 1003 2HG GLN 120 3HG GLN 120 -19.310 -3.000 -14.058 1004 1HE2 GLN 120 1HE2 GLN 120 -21.038 -1.497 -16.462 1005 2HE2 GLN 120 2HE2 GLN 120 -22.634 -1.931 -15.964 1006 H TYR 121 H TYR 121 -18.131 0.697 -11.919 1007 HA TYR 121 HA TYR 121 -19.368 3.031 -10.734 1008 1HB TYR 121 2HB TYR 121 -19.817 2.090 -8.594 1009 2HB TYR 121 3HB TYR 121 -20.567 1.019 -9.772 1010 HD1 TYR 121 HD1 TYR 121 -18.942 -0.950 -10.590 1011 HD2 TYR 121 HD2 TYR 121 -18.634 1.108 -6.879 1012 HE1 TYR 121 HE1 TYR 121 -17.719 -2.860 -9.639 1013 HE2 TYR 121 HE2 TYR 121 -17.408 -0.795 -5.918 1014 HH TYR 121 HH TYR 121 -17.398 -3.525 -6.633 1015 H ILE 122 H ILE 122 -18.102 3.302 -8.427 1016 HA ILE 122 HA ILE 122 -15.496 4.027 -9.113 1017 HB ILE 122 HB ILE 122 -15.112 4.222 -6.636 1018 1HG1 ILE 122 2HG1 ILE 122 -18.021 3.428 -6.439 1019 2HG1 ILE 122 3HG1 ILE 122 -16.689 2.342 -6.059 1020 1HG2 ILE 122 1HG2 ILE 122 -16.459 6.147 -6.412 1021 2HG2 ILE 122 2HG2 ILE 122 -16.125 5.990 -8.135 1022 3HG2 ILE 122 3HG2 ILE 122 -17.693 5.502 -7.494 1023 1HD1 ILE 122 1HD1 ILE 122 -17.136 4.983 -4.696 1024 2HD1 ILE 122 2HD1 ILE 122 -17.733 3.438 -4.089 1025 3HD1 ILE 122 3HD1 ILE 122 -15.998 3.716 -4.241 Start of MODEL 3 1 H MET 1 H MET 1 1.850 -6.197 -1.529 2 HA MET 1 HA MET 1 3.299 -3.832 -2.506 3 1HB MET 1 2HB MET 1 4.751 -5.879 -2.525 4 2HB MET 1 3HB MET 1 3.616 -6.609 -3.653 5 1HG MET 1 2HG MET 1 4.066 -4.855 -5.271 6 2HG MET 1 3HG MET 1 5.165 -4.074 -4.136 7 1HE MET 1 1HE MET 1 7.415 -4.075 -5.494 8 2HE MET 1 2HE MET 1 7.775 -5.349 -6.660 9 3HE MET 1 3HE MET 1 6.293 -4.404 -6.815 10 H GLN 2 H GLN 2 2.046 -2.692 -3.816 11 HA GLN 2 HA GLN 2 -0.153 -4.048 -5.210 12 1HB GLN 2 2HB GLN 2 0.179 -1.072 -4.865 13 2HB GLN 2 3HB GLN 2 -1.280 -1.955 -5.294 14 1HG GLN 2 2HG GLN 2 -1.717 -1.522 -3.109 15 2HG GLN 2 3HG GLN 2 -0.893 -3.072 -2.945 16 1HE2 GLN 2 1HE2 GLN 2 -0.995 -1.522 -0.782 17 2HE2 GLN 2 2HE2 GLN 2 0.543 -0.811 -0.447 18 H LYS 3 H LYS 3 2.801 -2.341 -5.698 19 HA LYS 3 HA LYS 3 2.453 -1.386 -8.303 20 1HB LYS 3 2HB LYS 3 4.418 -1.089 -6.598 21 2HB LYS 3 3HB LYS 3 5.083 -2.505 -7.401 22 1HG LYS 3 2HG LYS 3 4.470 -0.990 -9.541 23 2HG LYS 3 3HG LYS 3 4.820 0.266 -8.352 24 1HD LYS 3 2HD LYS 3 6.726 -1.988 -8.470 25 2HD LYS 3 3HD LYS 3 6.704 -0.912 -9.869 26 1HE LYS 3 2HE LYS 3 8.254 0.135 -8.538 27 2HE LYS 3 3HE LYS 3 6.778 0.964 -8.046 28 1HZ LYS 3 1HZ LYS 3 8.032 -1.319 -6.618 29 2HZ LYS 3 2HZ LYS 3 6.623 -0.514 -6.143 30 3HZ LYS 3 3HZ LYS 3 8.105 0.302 -6.138 31 H GLY 4 H GLY 4 2.464 -2.313 -10.271 32 1HA GLY 4 2HA GLY 4 3.279 -4.003 -11.799 33 2HA GLY 4 3HA GLY 4 3.275 -5.142 -10.461 34 H LEU 5 H LEU 5 0.578 -3.032 -10.687 35 HA LEU 5 HA LEU 5 -1.003 -5.037 -12.122 36 1HB LEU 5 2HB LEU 5 -1.229 -4.298 -9.299 37 2HB LEU 5 3HB LEU 5 -2.749 -4.217 -10.187 38 HG LEU 5 HG LEU 5 -2.563 -6.359 -9.110 39 1HD1 LEU 5 1HD1 LEU 5 -3.458 -6.117 -11.495 40 2HD1 LEU 5 2HD1 LEU 5 -3.064 -7.738 -10.924 41 3HD1 LEU 5 3HD1 LEU 5 -1.953 -6.888 -11.998 42 1HD2 LEU 5 1HD2 LEU 5 -0.332 -7.408 -10.647 43 2HD2 LEU 5 2HD2 LEU 5 -0.674 -7.529 -8.921 44 3HD2 LEU 5 3HD2 LEU 5 0.147 -6.104 -9.560 45 H GLU 6 H GLU 6 -3.100 -4.221 -12.846 46 HA GLU 6 HA GLU 6 -3.031 -1.306 -13.268 47 1HB GLU 6 2HB GLU 6 -4.544 -1.991 -15.295 48 2HB GLU 6 3HB GLU 6 -2.796 -2.137 -15.405 49 1HG GLU 6 2HG GLU 6 -2.962 -4.515 -14.866 50 2HG GLU 6 3HG GLU 6 -4.716 -4.367 -14.772 51 H ILE 7 H ILE 7 -4.659 -0.154 -12.470 52 HA ILE 7 HA ILE 7 -7.279 -1.400 -12.105 53 HB ILE 7 HB ILE 7 -7.368 -0.156 -9.830 54 1HG1 ILE 7 2HG1 ILE 7 -4.951 0.749 -10.411 55 2HG1 ILE 7 3HG1 ILE 7 -5.404 0.376 -8.751 56 1HG2 ILE 7 1HG2 ILE 7 -7.646 -2.447 -9.733 57 2HG2 ILE 7 2HG2 ILE 7 -6.058 -2.773 -10.426 58 3HG2 ILE 7 3HG2 ILE 7 -6.194 -2.213 -8.759 59 1HD1 ILE 7 1HD1 ILE 7 -3.141 -0.458 -9.742 60 2HD1 ILE 7 2HD1 ILE 7 -4.087 -1.493 -8.671 61 3HD1 ILE 7 3HD1 ILE 7 -4.144 -1.742 -10.416 62 H ALA 8 H ALA 8 -9.009 0.029 -12.151 63 HA ALA 8 HA ALA 8 -8.326 2.804 -12.879 64 1HB ALA 8 1HB ALA 8 -9.784 2.780 -14.609 65 2HB ALA 8 2HB ALA 8 -9.447 1.049 -14.560 66 3HB ALA 8 3HB ALA 8 -10.903 1.686 -13.795 67 H PHE 9 H PHE 9 -9.573 4.468 -12.055 68 HA PHE 9 HA PHE 9 -11.545 3.716 -10.001 69 1HB PHE 9 2HB PHE 9 -9.593 4.414 -8.808 70 2HB PHE 9 3HB PHE 9 -9.381 5.816 -9.853 71 HD1 PHE 9 HD1 PHE 9 -9.817 7.802 -8.812 72 HD2 PHE 9 HD2 PHE 9 -12.169 4.399 -7.809 73 HE1 PHE 9 HE1 PHE 9 -11.121 9.171 -7.238 74 HE2 PHE 9 HE2 PHE 9 -13.478 5.764 -6.235 75 HZ PHE 9 HZ PHE 9 -12.955 8.153 -5.948 76 H GLN 10 H GLN 10 -13.420 4.847 -9.964 77 HA GLN 10 HA GLN 10 -13.773 6.859 -12.074 78 1HB GLN 10 2HB GLN 10 -15.277 5.027 -12.350 79 2HB GLN 10 3HB GLN 10 -15.731 5.060 -10.651 80 1HG GLN 10 2HG GLN 10 -16.764 7.276 -11.012 81 2HG GLN 10 3HG GLN 10 -16.393 7.132 -12.729 82 1HE2 GLN 10 1HE2 GLN 10 -17.638 4.821 -10.347 83 2HE2 GLN 10 2HE2 GLN 10 -19.074 4.428 -11.223 84 H THR 11 H THR 11 -14.881 8.800 -11.653 85 HA THR 11 HA THR 11 -15.552 9.480 -8.914 86 HB THR 11 HB THR 11 -13.430 10.237 -8.563 87 HG1 THR 11 HG1 THR 11 -13.368 12.552 -9.396 88 1HG2 THR 11 1HG2 THR 11 -12.162 11.376 -10.577 89 2HG2 THR 11 2HG2 THR 11 -13.297 10.426 -11.535 90 3HG2 THR 11 3HG2 THR 11 -12.206 9.622 -10.407 91 H ILE 12 H ILE 12 -16.959 11.208 -8.745 92 HA ILE 12 HA ILE 12 -17.641 12.673 -11.186 93 HB ILE 12 HB ILE 12 -19.822 11.508 -9.476 94 1HG1 ILE 12 2HG1 ILE 12 -19.983 9.979 -11.668 95 2HG1 ILE 12 3HG1 ILE 12 -18.242 10.233 -11.651 96 1HG2 ILE 12 1HG2 ILE 12 -19.794 12.557 -12.303 97 2HG2 ILE 12 2HG2 ILE 12 -21.207 11.976 -11.423 98 3HG2 ILE 12 3HG2 ILE 12 -20.371 13.433 -10.886 99 1HD1 ILE 12 1HD1 ILE 12 -19.008 9.559 -9.024 100 2HD1 ILE 12 2HD1 ILE 12 -19.801 8.423 -10.116 101 3HD1 ILE 12 3HD1 ILE 12 -18.049 8.615 -10.164 102 H ASN 13 H ASN 13 -18.997 12.313 -7.906 103 HA ASN 13 HA ASN 13 -19.740 14.939 -7.523 104 1HB ASN 13 2HB ASN 13 -18.906 12.779 -5.606 105 2HB ASN 13 3HB ASN 13 -19.328 14.384 -5.019 106 1HD2 ASN 13 1HD2 ASN 13 -20.668 11.902 -4.488 107 2HD2 ASN 13 2HD2 ASN 13 -22.283 12.066 -5.079 108 H GLY 14 H GLY 14 -18.789 16.754 -6.593 109 1HA GLY 14 2HA GLY 14 -16.170 17.346 -7.271 110 2HA GLY 14 3HA GLY 14 -17.104 18.223 -6.068 111 H LEU 15 H LEU 15 -17.369 15.720 -4.444 112 HA LEU 15 HA LEU 15 -15.113 16.141 -2.779 113 1HB LEU 15 2HB LEU 15 -17.544 15.209 -2.304 114 2HB LEU 15 3HB LEU 15 -16.738 13.661 -2.547 115 HG LEU 15 HG LEU 15 -16.808 14.100 -0.205 116 1HD1 LEU 15 1HD1 LEU 15 -14.634 13.638 0.290 117 2HD1 LEU 15 2HD1 LEU 15 -14.005 14.897 -0.772 118 3HD1 LEU 15 3HD1 LEU 15 -14.591 13.380 -1.454 119 1HD2 LEU 15 1HD2 LEU 15 -15.195 16.581 -0.376 120 2HD2 LEU 15 2HD2 LEU 15 -16.403 16.091 0.813 121 3HD2 LEU 15 3HD2 LEU 15 -16.912 16.698 -0.764 122 H ASP 16 H ASP 16 -15.986 13.622 -5.093 123 HA ASP 16 HA ASP 16 -14.009 11.758 -4.567 124 1HB ASP 16 2HB ASP 16 -15.171 12.552 -7.246 125 2HB ASP 16 3HB ASP 16 -14.244 11.085 -6.945 126 H GLU 17 H GLU 17 -13.803 14.804 -6.288 127 HA GLU 17 HA GLU 17 -11.423 14.538 -7.646 128 1HB GLU 17 2HB GLU 17 -13.123 16.654 -6.912 129 2HB GLU 17 3HB GLU 17 -11.520 17.117 -6.358 130 1HG GLU 17 2HG GLU 17 -10.622 16.852 -8.572 131 2HG GLU 17 3HG GLU 17 -12.163 16.227 -9.159 132 H SER 18 H SER 18 -11.896 15.423 -4.243 133 HA SER 18 HA SER 18 -9.267 15.946 -3.544 134 1HB SER 18 2HB SER 18 -11.024 16.419 -1.979 135 2HB SER 18 3HB SER 18 -11.507 14.724 -1.922 136 HG SER 18 HG SER 18 -9.890 14.290 -0.610 137 H LEU 19 H LEU 19 -10.952 12.854 -3.775 138 HA LEU 19 HA LEU 19 -8.827 11.292 -2.709 139 1HB LEU 19 2HB LEU 19 -11.401 10.791 -3.149 140 2HB LEU 19 3HB LEU 19 -10.748 10.106 -4.636 141 HG LEU 19 HG LEU 19 -10.366 9.199 -1.809 142 1HD1 LEU 19 1HD1 LEU 19 -10.906 7.026 -2.810 143 2HD1 LEU 19 2HD1 LEU 19 -11.054 7.798 -4.388 144 3HD1 LEU 19 3HD1 LEU 19 -12.175 8.217 -3.093 145 1HD2 LEU 19 1HD2 LEU 19 -8.593 7.675 -2.646 146 2HD2 LEU 19 2HD2 LEU 19 -8.116 9.373 -2.628 147 3HD2 LEU 19 3HD2 LEU 19 -8.563 8.598 -4.149 148 H VAL 20 H VAL 20 -9.788 12.237 -5.970 149 HA VAL 20 HA VAL 20 -8.040 10.589 -7.411 150 HB VAL 20 HB VAL 20 -9.020 13.350 -8.153 151 1HG1 VAL 20 1HG1 VAL 20 -7.108 12.627 -9.497 152 2HG1 VAL 20 2HG1 VAL 20 -7.951 11.128 -9.892 153 3HG1 VAL 20 3HG1 VAL 20 -8.587 12.674 -10.456 154 1HG2 VAL 20 1HG2 VAL 20 -10.776 11.634 -7.599 155 2HG2 VAL 20 2HG2 VAL 20 -10.857 12.295 -9.232 156 3HG2 VAL 20 3HG2 VAL 20 -10.178 10.690 -8.963 157 H GLN 21 H GLN 21 -7.622 13.984 -6.403 158 HA GLN 21 HA GLN 21 -4.952 14.180 -7.323 159 1HB GLN 21 2HB GLN 21 -6.537 15.810 -5.340 160 2HB GLN 21 3HB GLN 21 -4.889 16.212 -5.807 161 1HG GLN 21 2HG GLN 21 -7.248 16.033 -7.668 162 2HG GLN 21 3HG GLN 21 -6.530 17.518 -7.047 163 1HE2 GLN 21 1HE2 GLN 21 -3.870 17.010 -7.268 164 2HE2 GLN 21 2HE2 GLN 21 -3.438 16.823 -8.931 165 H ALA 22 H ALA 22 -6.367 13.451 -4.164 166 HA ALA 22 HA ALA 22 -3.975 13.411 -2.688 167 1HB ALA 22 1HB ALA 22 -6.653 12.121 -2.279 168 2HB ALA 22 2HB ALA 22 -5.323 11.875 -1.147 169 3HB ALA 22 3HB ALA 22 -5.947 13.499 -1.434 170 H LEU 23 H LEU 23 -5.807 10.718 -4.140 171 HA LEU 23 HA LEU 23 -3.963 8.707 -3.469 172 1HB LEU 23 2HB LEU 23 -5.269 7.286 -4.697 173 2HB LEU 23 3HB LEU 23 -6.410 8.587 -4.367 174 HG LEU 23 HG LEU 23 -5.569 9.461 -6.710 175 1HD1 LEU 23 1HD1 LEU 23 -5.478 7.035 -7.968 176 2HD1 LEU 23 2HD1 LEU 23 -4.494 6.753 -6.532 177 3HD1 LEU 23 3HD1 LEU 23 -4.088 8.068 -7.635 178 1HD2 LEU 23 1HD2 LEU 23 -7.539 7.228 -6.253 179 2HD2 LEU 23 2HD2 LEU 23 -7.409 8.137 -7.759 180 3HD2 LEU 23 3HD2 LEU 23 -7.863 8.961 -6.266 181 H ALA 24 H ALA 24 -4.157 10.906 -6.192 182 HA ALA 24 HA ALA 24 -2.273 9.621 -7.858 183 1HB ALA 24 1HB ALA 24 -3.178 12.489 -7.705 184 2HB ALA 24 2HB ALA 24 -2.087 11.873 -8.947 185 3HB ALA 24 3HB ALA 24 -3.728 11.239 -8.821 186 H GLY 25 H GLY 25 -1.946 12.189 -5.427 187 1HA GLY 25 2HA GLY 25 0.850 12.561 -5.845 188 2HA GLY 25 3HA GLY 25 -0.080 13.140 -4.471 189 H VAL 26 H VAL 26 -1.044 10.510 -3.711 190 HA VAL 26 HA VAL 26 1.087 9.749 -2.004 191 HB VAL 26 HB VAL 26 -1.479 8.285 -2.639 192 1HG1 VAL 26 1HG1 VAL 26 0.807 7.622 -0.937 193 2HG1 VAL 26 2HG1 VAL 26 -0.752 7.547 -0.114 194 3HG1 VAL 26 3HG1 VAL 26 -0.475 6.590 -1.570 195 1HG2 VAL 26 1HG2 VAL 26 -2.518 9.746 -1.328 196 2HG2 VAL 26 2HG2 VAL 26 -1.360 9.461 -0.029 197 3HG2 VAL 26 3HG2 VAL 26 -1.030 10.690 -1.250 198 H THR 27 H THR 27 -0.436 8.104 -4.773 199 HA THR 27 HA THR 27 1.287 5.877 -4.783 200 HB THR 27 HB THR 27 -0.827 5.799 -5.968 201 HG1 THR 27 HG1 THR 27 0.084 4.456 -7.319 202 1HG2 THR 27 1HG2 THR 27 -1.455 7.185 -7.695 203 2HG2 THR 27 2HG2 THR 27 0.209 7.546 -8.154 204 3HG2 THR 27 3HG2 THR 27 -0.494 8.297 -6.722 205 H ALA 28 H ALA 28 1.397 8.947 -6.556 206 HA ALA 28 HA ALA 28 3.679 8.338 -8.103 207 1HB ALA 28 1HB ALA 28 3.831 10.934 -8.178 208 2HB ALA 28 2HB ALA 28 2.468 10.114 -8.940 209 3HB ALA 28 3HB ALA 28 2.272 10.865 -7.356 210 H SER 29 H SER 29 3.263 9.787 -4.918 211 HA SER 29 HA SER 29 6.023 10.487 -4.614 212 1HB SER 29 2HB SER 29 4.532 11.789 -3.329 213 2HB SER 29 3HB SER 29 3.676 10.369 -2.727 214 HG SER 29 HG SER 29 4.988 10.442 -1.101 215 H ASP 30 H ASP 30 4.019 7.736 -3.776 216 HA ASP 30 HA ASP 30 6.051 6.478 -2.166 217 1HB ASP 30 2HB ASP 30 3.468 6.210 -2.003 218 2HB ASP 30 3HB ASP 30 3.673 5.042 -3.306 219 H PHE 31 H PHE 31 5.328 6.687 -5.489 220 HA PHE 31 HA PHE 31 7.018 4.345 -6.063 221 1HB PHE 31 2HB PHE 31 4.824 5.656 -7.661 222 2HB PHE 31 3HB PHE 31 5.973 4.540 -8.391 223 HD1 PHE 31 HD1 PHE 31 2.793 4.562 -7.636 224 HD2 PHE 31 HD2 PHE 31 6.282 2.504 -6.329 225 HE1 PHE 31 HE1 PHE 31 1.400 2.666 -6.914 226 HE2 PHE 31 HE2 PHE 31 4.895 0.605 -5.606 227 HZ PHE 31 HZ PHE 31 2.451 0.684 -5.899 228 HA PRO 32 HA PRO 32 9.509 8.100 -7.169 229 1HB PRO 32 2HB PRO 32 11.826 7.156 -6.114 230 2HB PRO 32 3HB PRO 32 10.623 8.033 -5.161 231 1HG PRO 32 2HG PRO 32 11.091 5.084 -5.368 232 2HG PRO 32 3HG PRO 32 10.760 6.065 -3.929 233 1HD PRO 32 2HD PRO 32 8.850 4.590 -5.158 234 2HD PRO 32 3HD PRO 32 8.492 6.122 -4.336 235 H ASP 33 H ASP 33 9.682 4.710 -7.756 236 HA ASP 33 HA ASP 33 11.926 4.627 -9.464 237 1HB ASP 33 2HB ASP 33 9.477 2.850 -9.513 238 2HB ASP 33 3HB ASP 33 11.046 2.481 -10.223 239 H LEU 34 H LEU 34 8.870 6.020 -9.867 240 HA LEU 34 HA LEU 34 7.879 7.099 -11.607 241 1HB LEU 34 2HB LEU 34 10.322 6.578 -13.266 242 2HB LEU 34 3HB LEU 34 9.193 7.928 -13.361 243 HG LEU 34 HG LEU 34 11.276 7.453 -11.232 244 1HD1 LEU 34 1HD1 LEU 34 12.493 8.397 -12.896 245 2HD1 LEU 34 2HD1 LEU 34 11.810 9.871 -12.212 246 3HD1 LEU 34 3HD1 LEU 34 11.088 9.150 -13.651 247 1HD2 LEU 34 1HD2 LEU 34 10.529 9.721 -10.433 248 2HD2 LEU 34 2HD2 LEU 34 9.406 8.397 -10.123 249 3HD2 LEU 34 3HD2 LEU 34 9.100 9.521 -11.448 250 H ASP 35 H ASP 35 8.191 4.019 -11.384 251 HA ASP 35 HA ASP 35 7.739 3.143 -14.097 252 1HB ASP 35 2HB ASP 35 7.677 1.734 -11.430 253 2HB ASP 35 3HB ASP 35 7.251 0.927 -12.937 254 H ILE 36 H ILE 36 5.869 4.729 -11.917 255 HA ILE 36 HA ILE 36 3.406 3.305 -12.153 256 HB ILE 36 HB ILE 36 3.708 4.760 -10.264 257 1HG1 ILE 36 2HG1 ILE 36 1.669 5.998 -12.125 258 2HG1 ILE 36 3HG1 ILE 36 1.419 4.512 -11.216 259 1HG2 ILE 36 1HG2 ILE 36 3.487 7.353 -11.398 260 2HG2 ILE 36 2HG2 ILE 36 4.801 6.682 -10.432 261 3HG2 ILE 36 3HG2 ILE 36 4.826 6.519 -12.188 262 1HD1 ILE 36 1HD1 ILE 36 0.594 5.760 -9.588 263 2HD1 ILE 36 2HD1 ILE 36 2.222 6.387 -9.325 264 3HD1 ILE 36 3HD1 ILE 36 1.106 7.245 -10.388 265 H LYS 37 H LYS 37 2.133 3.204 -13.869 266 HA LYS 37 HA LYS 37 2.284 5.365 -15.867 267 1HB LYS 37 2HB LYS 37 2.189 2.433 -16.098 268 2HB LYS 37 3HB LYS 37 1.099 3.283 -17.185 269 1HG LYS 37 2HG LYS 37 3.102 2.972 -18.377 270 2HG LYS 37 3HG LYS 37 3.085 4.670 -17.894 271 1HD LYS 37 2HD LYS 37 4.350 2.900 -15.939 272 2HD LYS 37 3HD LYS 37 5.163 2.925 -17.506 273 1HE LYS 37 2HE LYS 37 4.356 5.549 -16.427 274 2HE LYS 37 3HE LYS 37 5.626 4.710 -15.537 275 1HZ LYS 37 1HZ LYS 37 5.770 6.049 -18.043 276 2HZ LYS 37 2HZ LYS 37 6.315 4.454 -18.180 277 3HZ LYS 37 3HZ LYS 37 7.023 5.496 -17.051 278 H TYR 38 H TYR 38 0.704 6.509 -14.527 279 HA TYR 38 HA TYR 38 -2.030 5.510 -14.987 280 1HB TYR 38 2HB TYR 38 -2.731 6.250 -12.903 281 2HB TYR 38 3HB TYR 38 -1.106 5.675 -12.548 282 HD1 TYR 38 HD1 TYR 38 -3.331 8.272 -11.983 283 HD2 TYR 38 HD2 TYR 38 0.763 7.590 -12.921 284 HE1 TYR 38 HE1 TYR 38 -2.759 10.480 -11.062 285 HE2 TYR 38 HE2 TYR 38 1.347 9.796 -12.001 286 HH TYR 38 HH TYR 38 0.568 11.708 -11.170 287 H ASN 39 H ASN 39 -3.638 7.458 -14.744 288 HA ASN 39 HA ASN 39 -2.778 10.039 -15.510 289 1HB ASN 39 2HB ASN 39 -4.100 9.690 -17.841 290 2HB ASN 39 3HB ASN 39 -2.350 9.555 -17.689 291 1HD2 ASN 39 1HD2 ASN 39 -5.351 7.795 -17.934 292 2HD2 ASN 39 2HD2 ASN 39 -4.653 6.285 -18.404 293 H ILE 40 H ILE 40 -4.583 11.492 -15.957 294 HA ILE 40 HA ILE 40 -7.168 10.408 -15.049 295 HB ILE 40 HB ILE 40 -6.961 13.185 -14.393 296 1HG1 ILE 40 2HG1 ILE 40 -4.747 11.427 -13.317 297 2HG1 ILE 40 3HG1 ILE 40 -4.558 12.885 -14.284 298 1HG2 ILE 40 1HG2 ILE 40 -7.547 12.389 -12.173 299 2HG2 ILE 40 2HG2 ILE 40 -8.500 11.556 -13.400 300 3HG2 ILE 40 3HG2 ILE 40 -7.135 10.739 -12.639 301 1HD1 ILE 40 1HD1 ILE 40 -4.145 13.735 -12.223 302 2HD1 ILE 40 2HD1 ILE 40 -5.895 13.952 -12.272 303 3HD1 ILE 40 3HD1 ILE 40 -5.200 12.579 -11.410 304 H PHE 41 H PHE 41 -8.657 10.600 -16.574 305 HA PHE 41 HA PHE 41 -8.622 12.990 -18.290 306 1HB PHE 41 2HB PHE 41 -9.622 11.387 -20.068 307 2HB PHE 41 3HB PHE 41 -7.884 11.360 -19.789 308 HD1 PHE 41 HD1 PHE 41 -11.045 9.640 -18.887 309 HD2 PHE 41 HD2 PHE 41 -6.808 9.379 -19.208 310 HE1 PHE 41 HE1 PHE 41 -11.162 7.224 -18.434 311 HE2 PHE 41 HE2 PHE 41 -6.919 6.963 -18.757 312 HZ PHE 41 HZ PHE 41 -9.098 5.882 -18.370 313 H LEU 42 H LEU 42 -10.659 13.723 -19.028 314 HA LEU 42 HA LEU 42 -12.917 12.735 -17.415 315 1HB LEU 42 2HB LEU 42 -11.957 15.146 -17.172 316 2HB LEU 42 3HB LEU 42 -12.851 15.451 -18.660 317 HG LEU 42 HG LEU 42 -14.205 14.310 -16.236 318 1HD1 LEU 42 1HD1 LEU 42 -13.002 16.423 -15.644 319 2HD1 LEU 42 2HD1 LEU 42 -14.756 16.496 -15.473 320 3HD1 LEU 42 3HD1 LEU 42 -13.974 17.245 -16.865 321 1HD2 LEU 42 1HD2 LEU 42 -15.037 15.635 -18.785 322 2HD2 LEU 42 2HD2 LEU 42 -16.087 15.691 -17.368 323 3HD2 LEU 42 3HD2 LEU 42 -15.619 14.136 -18.060 324 H VAL 43 H VAL 43 -14.731 12.075 -18.411 325 HA VAL 43 HA VAL 43 -14.814 12.295 -21.346 326 HB VAL 43 HB VAL 43 -15.711 10.213 -21.505 327 1HG1 VAL 43 1HG1 VAL 43 -13.571 10.254 -19.986 328 2HG1 VAL 43 2HG1 VAL 43 -14.691 9.654 -18.761 329 3HG1 VAL 43 3HG1 VAL 43 -14.454 8.752 -20.259 330 1HG2 VAL 43 1HG2 VAL 43 -17.074 9.159 -19.666 331 2HG2 VAL 43 2HG2 VAL 43 -16.984 10.703 -18.820 332 3HG2 VAL 43 3HG2 VAL 43 -17.773 10.605 -20.394 333 H ASP 44 H ASP 44 -16.605 13.072 -22.367 334 HA ASP 44 HA ASP 44 -18.904 13.851 -20.714 335 1HB ASP 44 2HB ASP 44 -19.013 16.004 -22.000 336 2HB ASP 44 3HB ASP 44 -17.625 15.872 -20.924 337 H LEU 45 H LEU 45 -20.442 12.548 -21.509 338 HA LEU 45 HA LEU 45 -21.195 12.866 -24.295 339 1HB LEU 45 2HB LEU 45 -19.699 10.646 -23.473 340 2HB LEU 45 3HB LEU 45 -21.357 10.070 -23.630 341 HG LEU 45 HG LEU 45 -19.984 9.733 -25.664 342 1HD1 LEU 45 1HD1 LEU 45 -22.582 10.428 -25.477 343 2HD1 LEU 45 2HD1 LEU 45 -21.784 9.995 -26.988 344 3HD1 LEU 45 3HD1 LEU 45 -21.990 11.692 -26.556 345 1HD2 LEU 45 1HD2 LEU 45 -18.703 11.899 -25.332 346 2HD2 LEU 45 2HD2 LEU 45 -20.107 12.716 -26.021 347 3HD2 LEU 45 3HD2 LEU 45 -19.218 11.531 -26.979 348 H TYR 46 H TYR 46 -23.348 12.099 -24.750 349 HA TYR 46 HA TYR 46 -25.564 11.869 -24.292 350 1HB TYR 46 2HB TYR 46 -24.620 10.585 -21.722 351 2HB TYR 46 3HB TYR 46 -26.220 10.432 -22.438 352 HD1 TYR 46 HD1 TYR 46 -26.402 9.304 -24.720 353 HD2 TYR 46 HD2 TYR 46 -22.903 9.100 -22.306 354 HE1 TYR 46 HE1 TYR 46 -25.653 7.330 -25.982 355 HE2 TYR 46 HE2 TYR 46 -22.145 7.126 -23.563 356 HH TYR 46 HH TYR 46 -22.525 6.134 -25.838 357 H GLY 47 H GLY 47 -24.169 14.281 -23.507 358 1HA GLY 47 2HA GLY 47 -24.709 16.259 -22.469 359 2HA GLY 47 3HA GLY 47 -26.236 15.519 -22.012 360 H GLN 48 H GLN 48 -23.628 13.660 -20.989 361 HA GLN 48 HA GLN 48 -23.560 14.982 -18.364 362 1HB GLN 48 2HB GLN 48 -23.755 11.994 -18.762 363 2HB GLN 48 3HB GLN 48 -23.748 12.857 -17.230 364 1HG GLN 48 2HG GLN 48 -25.894 13.787 -17.652 365 2HG GLN 48 3HG GLN 48 -25.881 13.208 -19.317 366 1HE2 GLN 48 1HE2 GLN 48 -26.377 12.387 -15.999 367 2HE2 GLN 48 2HE2 GLN 48 -27.013 10.803 -16.266 368 H LYS 49 H LYS 49 -21.592 15.149 -17.461 369 HA LYS 49 HA LYS 49 -19.370 13.732 -18.782 370 1HB LYS 49 2HB LYS 49 -17.987 15.704 -17.892 371 2HB LYS 49 3HB LYS 49 -19.034 15.999 -19.274 372 1HG LYS 49 2HG LYS 49 -20.373 16.488 -16.744 373 2HG LYS 49 3HG LYS 49 -18.930 17.481 -16.957 374 1HD LYS 49 2HD LYS 49 -20.609 17.304 -19.347 375 2HD LYS 49 3HD LYS 49 -21.412 18.051 -17.964 376 1HE LYS 49 2HE LYS 49 -19.538 19.613 -17.732 377 2HE LYS 49 3HE LYS 49 -18.747 18.868 -19.119 378 1HZ LYS 49 1HZ LYS 49 -21.472 19.835 -19.504 379 2HZ LYS 49 2HZ LYS 49 -20.158 19.849 -20.570 380 3HZ LYS 49 3HZ LYS 49 -20.262 21.006 -19.339 381 H TYR 50 H TYR 50 -17.808 12.772 -17.527 382 HA TYR 50 HA TYR 50 -18.043 12.978 -14.617 383 1HB TYR 50 2HB TYR 50 -17.836 10.287 -15.960 384 2HB TYR 50 3HB TYR 50 -18.176 10.634 -14.268 385 HD1 TYR 50 HD1 TYR 50 -19.577 10.692 -17.681 386 HD2 TYR 50 HD2 TYR 50 -20.397 11.100 -13.526 387 HE1 TYR 50 HE1 TYR 50 -21.989 10.588 -18.153 388 HE2 TYR 50 HE2 TYR 50 -22.810 10.996 -13.986 389 HH TYR 50 HH TYR 50 -24.297 10.047 -15.813 390 H PHE 51 H PHE 51 -16.190 11.815 -13.524 391 HA PHE 51 HA PHE 51 -13.742 12.331 -15.058 392 1HB PHE 51 2HB PHE 51 -14.168 12.134 -12.069 393 2HB PHE 51 3HB PHE 51 -12.627 12.465 -12.852 394 HD1 PHE 51 HD1 PHE 51 -16.106 13.769 -12.632 395 HD2 PHE 51 HD2 PHE 51 -11.982 14.651 -13.212 396 HE1 PHE 51 HE1 PHE 51 -16.621 16.175 -12.616 397 HE2 PHE 51 HE2 PHE 51 -12.491 17.058 -13.195 398 HZ PHE 51 HZ PHE 51 -14.813 17.823 -12.897 399 H ARG 52 H ARG 52 -12.358 10.742 -15.548 400 HA ARG 52 HA ARG 52 -12.617 8.163 -14.167 401 1HB ARG 52 2HB ARG 52 -12.711 8.680 -17.125 402 2HB ARG 52 3HB ARG 52 -12.140 7.138 -16.500 403 1HG ARG 52 2HG ARG 52 -14.407 6.811 -16.978 404 2HG ARG 52 3HG ARG 52 -14.332 7.012 -15.227 405 1HD ARG 52 2HD ARG 52 -15.469 8.962 -15.271 406 2HD ARG 52 3HD ARG 52 -14.711 9.487 -16.774 407 HE ARG 52 HE ARG 52 -16.449 8.549 -17.950 408 1HH1 ARG 52 2HH1 ARG 52 -16.576 7.501 -14.633 409 2HH1 ARG 52 1HH1 ARG 52 -18.144 6.781 -14.783 410 1HH2 ARG 52 2HH2 ARG 52 -18.515 7.605 -18.161 411 2HH2 ARG 52 1HH2 ARG 52 -19.246 6.841 -16.791 412 H ILE 53 H ILE 53 -10.728 7.341 -13.530 413 HA ILE 53 HA ILE 53 -8.268 8.424 -14.741 414 HB ILE 53 HB ILE 53 -7.255 8.658 -12.719 415 1HG1 ILE 53 2HG1 ILE 53 -8.217 7.298 -10.668 416 2HG1 ILE 53 3HG1 ILE 53 -8.882 6.274 -11.936 417 1HG2 ILE 53 1HG2 ILE 53 -9.568 9.851 -12.802 418 2HG2 ILE 53 2HG2 ILE 53 -9.989 8.717 -11.520 419 3HG2 ILE 53 3HG2 ILE 53 -8.643 9.835 -11.301 420 1HD1 ILE 53 1HD1 ILE 53 -6.217 6.674 -12.641 421 2HD1 ILE 53 2HD1 ILE 53 -6.210 6.400 -10.899 422 3HD1 ILE 53 3HD1 ILE 53 -6.945 5.212 -11.975 423 H LEU 54 H LEU 54 -6.716 7.018 -15.378 424 HA LEU 54 HA LEU 54 -7.242 4.154 -14.925 425 1HB LEU 54 2HB LEU 54 -7.362 5.320 -17.308 426 2HB LEU 54 3HB LEU 54 -5.621 5.054 -17.246 427 HG LEU 54 HG LEU 54 -7.808 2.983 -17.202 428 1HD1 LEU 54 1HD1 LEU 54 -6.974 2.290 -19.266 429 2HD1 LEU 54 2HD1 LEU 54 -5.456 3.161 -19.053 430 3HD1 LEU 54 3HD1 LEU 54 -6.946 4.051 -19.367 431 1HD2 LEU 54 1HD2 LEU 54 -4.949 2.813 -16.379 432 2HD2 LEU 54 2HD2 LEU 54 -5.676 1.452 -17.234 433 3HD2 LEU 54 3HD2 LEU 54 -6.368 2.007 -15.709 434 H PHE 55 H PHE 55 -5.762 3.138 -13.760 435 HA PHE 55 HA PHE 55 -3.021 4.220 -13.715 436 1HB PHE 55 2HB PHE 55 -3.870 4.605 -11.551 437 2HB PHE 55 3HB PHE 55 -4.700 3.053 -11.507 438 HD1 PHE 55 HD1 PHE 55 -3.815 2.124 -9.548 439 HD2 PHE 55 HD2 PHE 55 -1.197 3.662 -12.531 440 HE1 PHE 55 HE1 PHE 55 -1.896 1.131 -8.371 441 HE2 PHE 55 HE2 PHE 55 0.726 2.671 -11.360 442 HZ PHE 55 HZ PHE 55 0.378 1.402 -9.278 443 H GLN 56 H GLN 56 -1.569 2.919 -14.596 444 HA GLN 56 HA GLN 56 -1.906 0.015 -14.324 445 1HB GLN 56 2HB GLN 56 -1.158 1.456 -16.874 446 2HB GLN 56 3HB GLN 56 -1.150 -0.289 -16.655 447 1HG GLN 56 2HG GLN 56 -3.389 -0.461 -16.824 448 2HG GLN 56 3HG GLN 56 -3.678 1.079 -16.016 449 1HE2 GLN 56 1HE2 GLN 56 -2.625 2.955 -17.429 450 2HE2 GLN 56 2HE2 GLN 56 -3.163 2.959 -19.071 451 H SER 57 H SER 57 0.034 -1.199 -14.383 452 HA SER 57 HA SER 57 2.367 0.361 -13.562 453 1HB SER 57 2HB SER 57 1.237 -1.949 -12.544 454 2HB SER 57 3HB SER 57 2.628 -2.550 -13.446 455 HG SER 57 HG SER 57 2.711 -0.477 -11.508 456 H LYS 58 H LYS 58 4.511 -0.955 -14.158 457 HA LYS 58 HA LYS 58 4.552 -1.002 -17.083 458 1HB LYS 58 2HB LYS 58 6.299 0.026 -15.120 459 2HB LYS 58 3HB LYS 58 7.150 -1.310 -15.885 460 1HG LYS 58 2HG LYS 58 7.338 -0.239 -17.866 461 2HG LYS 58 3HG LYS 58 5.790 0.592 -17.690 462 1HD LYS 58 2HD LYS 58 7.114 2.392 -17.352 463 2HD LYS 58 3HD LYS 58 7.180 1.764 -15.703 464 1HE LYS 58 2HE LYS 58 9.405 1.877 -16.006 465 2HE LYS 58 3HE LYS 58 9.179 0.355 -16.866 466 1HZ LYS 58 1HZ LYS 58 10.452 1.757 -18.255 467 2HZ LYS 58 2HZ LYS 58 9.411 3.071 -18.031 468 3HZ LYS 58 3HZ LYS 58 8.897 1.728 -18.922 469 H LYS 59 H LYS 59 5.796 -2.910 -14.344 470 HA LYS 59 HA LYS 59 6.475 -5.133 -16.041 471 1HB LYS 59 2HB LYS 59 6.298 -5.132 -13.029 472 2HB LYS 59 3HB LYS 59 7.235 -6.215 -14.049 473 1HG LYS 59 2HG LYS 59 8.075 -3.589 -14.644 474 2HG LYS 59 3HG LYS 59 8.004 -3.733 -12.886 475 1HD LYS 59 2HD LYS 59 10.153 -4.461 -13.369 476 2HD LYS 59 3HD LYS 59 9.249 -5.974 -13.266 477 1HE LYS 59 2HE LYS 59 8.924 -5.548 -15.850 478 2HE LYS 59 3HE LYS 59 10.391 -4.591 -15.643 479 1HZ LYS 59 1HZ LYS 59 11.075 -6.753 -16.221 480 2HZ LYS 59 2HZ LYS 59 10.023 -7.483 -15.117 481 3HZ LYS 59 3HZ LYS 59 11.367 -6.619 -14.560 482 H LEU 60 H LEU 60 3.600 -3.993 -14.915 483 HA LEU 60 HA LEU 60 2.153 -6.024 -13.835 484 1HB LEU 60 2HB LEU 60 0.234 -4.985 -14.610 485 2HB LEU 60 3HB LEU 60 1.418 -3.680 -14.582 486 HG LEU 60 HG LEU 60 0.555 -5.199 -17.043 487 1HD1 LEU 60 1HD1 LEU 60 -1.172 -3.703 -15.986 488 2HD1 LEU 60 2HD1 LEU 60 -0.726 -3.302 -17.644 489 3HD1 LEU 60 3HD1 LEU 60 -0.081 -2.354 -16.304 490 1HD2 LEU 60 1HD2 LEU 60 2.530 -4.445 -17.794 491 2HD2 LEU 60 2HD2 LEU 60 2.704 -3.283 -16.479 492 3HD2 LEU 60 3HD2 LEU 60 1.708 -2.887 -17.880 493 H SER 61 H SER 61 1.654 -8.039 -14.377 494 HA SER 61 HA SER 61 2.041 -8.867 -17.175 495 1HB SER 61 2HB SER 61 2.270 -10.398 -14.583 496 2HB SER 61 3HB SER 61 2.206 -11.197 -16.154 497 HG SER 61 HG SER 61 4.113 -10.245 -16.716 498 H GLU 62 H GLU 62 0.529 -10.251 -18.159 499 HA GLU 62 HA GLU 62 -2.179 -9.729 -17.458 500 1HB GLU 62 2HB GLU 62 -0.887 -11.508 -19.518 501 2HB GLU 62 3HB GLU 62 -2.632 -11.436 -19.311 502 1HG GLU 62 2HG GLU 62 -2.434 -8.939 -19.660 503 2HG GLU 62 3HG GLU 62 -0.776 -9.242 -20.176 504 H LEU 63 H LEU 63 0.006 -12.426 -16.978 505 HA LEU 63 HA LEU 63 -2.019 -14.254 -16.105 506 1HB LEU 63 2HB LEU 63 0.972 -14.240 -16.085 507 2HB LEU 63 3HB LEU 63 0.084 -15.463 -15.179 508 HG LEU 63 HG LEU 63 0.778 -16.345 -17.321 509 1HD1 LEU 63 1HD1 LEU 63 -2.163 -15.846 -17.591 510 2HD1 LEU 63 2HD1 LEU 63 -1.522 -16.836 -16.280 511 3HD1 LEU 63 3HD1 LEU 63 -1.241 -17.305 -17.957 512 1HD2 LEU 63 1HD2 LEU 63 -0.947 -14.319 -18.704 513 2HD2 LEU 63 2HD2 LEU 63 0.273 -15.392 -19.390 514 3HD2 LEU 63 3HD2 LEU 63 0.763 -14.017 -18.399 515 H HIS 64 H HIS 64 -1.363 -15.380 -13.838 516 HA HIS 64 HA HIS 64 -1.526 -15.235 -11.573 517 1HB HIS 64 2HB HIS 64 0.302 -13.013 -12.296 518 2HB HIS 64 3HB HIS 64 -0.394 -12.962 -10.680 519 HD1 HIS 64 HD1 HIS 64 0.472 -14.635 -8.972 520 HD2 HIS 64 HD2 HIS 64 2.029 -15.218 -12.779 521 HE1 HIS 64 HE1 HIS 64 2.340 -16.295 -8.687 522 HA PRO 65 HA PRO 65 -5.126 -12.309 -12.101 523 1HB PRO 65 2HB PRO 65 -7.040 -14.174 -11.621 524 2HB PRO 65 3HB PRO 65 -6.379 -13.869 -13.231 525 1HG PRO 65 2HG PRO 65 -5.689 -16.030 -11.278 526 2HG PRO 65 3HG PRO 65 -5.929 -16.142 -13.032 527 1HD PRO 65 2HD PRO 65 -3.471 -16.053 -11.900 528 2HD PRO 65 3HD PRO 65 -3.812 -15.358 -13.498 529 H GLU 66 H GLU 66 -3.971 -14.513 -9.710 530 HA GLU 66 HA GLU 66 -5.783 -13.990 -7.626 531 1HB GLU 66 2HB GLU 66 -3.418 -15.486 -7.972 532 2HB GLU 66 3HB GLU 66 -3.122 -14.410 -6.613 533 1HG GLU 66 2HG GLU 66 -5.469 -15.257 -5.825 534 2HG GLU 66 3HG GLU 66 -5.103 -16.611 -6.893 535 H GLU 67 H GLU 67 -2.984 -12.249 -8.800 536 HA GLU 67 HA GLU 67 -2.781 -10.492 -6.552 537 1HB GLU 67 2HB GLU 67 -1.693 -10.205 -9.358 538 2HB GLU 67 3HB GLU 67 -1.246 -9.199 -7.988 539 1HG GLU 67 2HG GLU 67 -0.925 -12.116 -7.656 540 2HG GLU 67 3HG GLU 67 0.175 -11.312 -8.774 541 H ARG 68 H ARG 68 -4.500 -10.465 -9.595 542 HA ARG 68 HA ARG 68 -5.139 -7.789 -9.857 543 1HB ARG 68 2HB ARG 68 -6.139 -10.300 -10.871 544 2HB ARG 68 3HB ARG 68 -7.469 -9.193 -10.556 545 1HG ARG 68 2HG ARG 68 -7.037 -8.443 -12.617 546 2HG ARG 68 3HG ARG 68 -5.725 -7.559 -11.834 547 1HD ARG 68 2HD ARG 68 -4.200 -9.423 -12.325 548 2HD ARG 68 3HD ARG 68 -5.515 -10.270 -13.140 549 HE ARG 68 HE ARG 68 -3.916 -8.157 -14.201 550 1HH1 ARG 68 2HH1 ARG 68 -7.079 -9.608 -14.298 551 2HH1 ARG 68 1HH1 ARG 68 -7.426 -9.057 -15.903 552 1HH2 ARG 68 2HH2 ARG 68 -4.361 -7.426 -16.316 553 2HH2 ARG 68 1HH2 ARG 68 -5.879 -7.817 -17.050 554 H LYS 69 H LYS 69 -6.970 -10.284 -8.092 555 HA LYS 69 HA LYS 69 -8.933 -8.525 -7.084 556 1HB LYS 69 2HB LYS 69 -9.400 -10.362 -5.456 557 2HB LYS 69 3HB LYS 69 -9.376 -10.885 -7.135 558 1HG LYS 69 2HG LYS 69 -7.139 -11.784 -6.847 559 2HG LYS 69 3HG LYS 69 -7.112 -11.216 -5.176 560 1HD LYS 69 2HD LYS 69 -9.169 -13.143 -6.240 561 2HD LYS 69 3HD LYS 69 -7.660 -13.655 -5.482 562 1HE LYS 69 2HE LYS 69 -8.421 -12.089 -3.546 563 2HE LYS 69 3HE LYS 69 -10.017 -12.265 -4.273 564 1HZ LYS 69 1HZ LYS 69 -9.064 -13.929 -2.449 565 2HZ LYS 69 2HZ LYS 69 -8.518 -14.720 -3.840 566 3HZ LYS 69 3HZ LYS 69 -10.168 -14.408 -3.638 567 H LYS 70 H LYS 70 -5.810 -9.580 -5.849 568 HA LYS 70 HA LYS 70 -6.003 -8.618 -3.238 569 1HB LYS 70 2HB LYS 70 -4.172 -10.057 -4.043 570 2HB LYS 70 3HB LYS 70 -3.553 -8.724 -5.008 571 1HG LYS 70 2HG LYS 70 -2.760 -7.585 -3.178 572 2HG LYS 70 3HG LYS 70 -3.898 -8.356 -2.071 573 1HD LYS 70 2HD LYS 70 -1.855 -10.043 -3.436 574 2HD LYS 70 3HD LYS 70 -1.350 -9.023 -2.087 575 1HE LYS 70 2HE LYS 70 -2.691 -10.150 -0.568 576 2HE LYS 70 3HE LYS 70 -3.751 -10.788 -1.825 577 1HZ LYS 70 1HZ LYS 70 -2.397 -12.526 -2.206 578 2HZ LYS 70 2HZ LYS 70 -1.858 -12.221 -0.632 579 3HZ LYS 70 3HZ LYS 70 -0.978 -11.640 -1.954 580 H VAL 71 H VAL 71 -4.665 -6.993 -6.115 581 HA VAL 71 HA VAL 71 -4.215 -4.520 -4.798 582 HB VAL 71 HB VAL 71 -3.942 -3.579 -7.066 583 1HG1 VAL 71 1HG1 VAL 71 -2.522 -6.201 -7.116 584 2HG1 VAL 71 2HG1 VAL 71 -1.906 -4.579 -7.439 585 3HG1 VAL 71 3HG1 VAL 71 -2.226 -5.088 -5.781 586 1HG2 VAL 71 1HG2 VAL 71 -4.758 -6.335 -7.983 587 2HG2 VAL 71 2HG2 VAL 71 -5.677 -4.848 -8.211 588 3HG2 VAL 71 3HG2 VAL 71 -4.123 -5.056 -9.017 589 H ARG 72 H ARG 72 -6.924 -5.873 -6.565 590 HA ARG 72 HA ARG 72 -8.403 -3.554 -7.026 591 1HB ARG 72 2HB ARG 72 -8.804 -6.344 -7.264 592 2HB ARG 72 3HB ARG 72 -10.159 -5.717 -6.336 593 1HG ARG 72 2HG ARG 72 -11.100 -5.127 -8.250 594 2HG ARG 72 3HG ARG 72 -9.826 -3.921 -8.442 595 1HD ARG 72 2HD ARG 72 -8.428 -5.740 -9.490 596 2HD ARG 72 3HD ARG 72 -9.882 -6.738 -9.501 597 HE ARG 72 HE ARG 72 -10.692 -4.495 -10.757 598 1HH1 ARG 72 2HH1 ARG 72 -7.948 -6.593 -11.194 599 2HH1 ARG 72 1HH1 ARG 72 -7.828 -6.297 -12.897 600 1HH2 ARG 72 2HH2 ARG 72 -10.544 -4.098 -12.999 601 2HH2 ARG 72 1HH2 ARG 72 -9.305 -4.877 -13.922 602 H GLU 73 H GLU 73 -8.641 -5.823 -4.284 603 HA GLU 73 HA GLU 73 -10.479 -4.200 -2.841 604 1HB GLU 73 2HB GLU 73 -10.050 -5.738 -0.973 605 2HB GLU 73 3HB GLU 73 -10.362 -6.604 -2.470 606 1HG GLU 73 2HG GLU 73 -7.850 -6.767 -2.737 607 2HG GLU 73 3HG GLU 73 -7.739 -6.207 -1.069 608 H LYS 74 H LYS 74 -6.979 -4.594 -2.789 609 HA LYS 74 HA LYS 74 -6.417 -3.141 -0.466 610 1HB LYS 74 2HB LYS 74 -4.738 -4.507 -1.593 611 2HB LYS 74 3HB LYS 74 -4.773 -3.436 -2.987 612 1HG LYS 74 2HG LYS 74 -2.832 -2.915 -1.723 613 2HG LYS 74 3HG LYS 74 -3.983 -1.595 -1.497 614 1HD LYS 74 2HD LYS 74 -3.064 -2.081 0.639 615 2HD LYS 74 3HD LYS 74 -4.704 -2.734 0.630 616 1HE LYS 74 2HE LYS 74 -3.903 -4.953 0.320 617 2HE LYS 74 3HE LYS 74 -2.266 -4.384 -0.004 618 1HZ LYS 74 1HZ LYS 74 -3.695 -4.554 2.562 619 2HZ LYS 74 2HZ LYS 74 -2.460 -3.414 2.371 620 3HZ LYS 74 3HZ LYS 74 -2.128 -5.061 2.173 621 H PHE 75 H PHE 75 -6.460 -2.037 -3.854 622 HA PHE 75 HA PHE 75 -6.005 0.688 -3.217 623 1HB PHE 75 2HB PHE 75 -5.817 0.906 -5.442 624 2HB PHE 75 3HB PHE 75 -6.094 -0.830 -5.543 625 HD1 PHE 75 HD1 PHE 75 -7.652 2.483 -5.828 626 HD2 PHE 75 HD2 PHE 75 -8.162 -1.711 -6.341 627 HE1 PHE 75 HE1 PHE 75 -9.712 2.894 -7.109 628 HE2 PHE 75 HE2 PHE 75 -10.222 -1.308 -7.624 629 HZ PHE 75 HZ PHE 75 -10.999 0.997 -8.011 630 H ASP 76 H ASP 76 -8.895 -1.259 -3.625 631 HA ASP 76 HA ASP 76 -10.800 0.778 -3.804 632 1HB ASP 76 2HB ASP 76 -10.793 -2.088 -3.197 633 2HB ASP 76 3HB ASP 76 -12.093 -1.207 -2.398 634 H GLU 77 H GLU 77 -9.565 -0.923 -0.932 635 HA GLU 77 HA GLU 77 -11.090 0.598 0.918 636 1HB GLU 77 2HB GLU 77 -8.646 -1.141 1.222 637 2HB GLU 77 3HB GLU 77 -9.399 -0.328 2.586 638 1HG GLU 77 2HG GLU 77 -11.274 -1.649 2.520 639 2HG GLU 77 3HG GLU 77 -11.072 -2.036 0.812 640 H ASN 78 H ASN 78 -7.701 0.774 -0.136 641 HA ASN 78 HA ASN 78 -6.815 2.819 1.494 642 1HB ASN 78 2HB ASN 78 -5.466 1.442 -0.165 643 2HB ASN 78 3HB ASN 78 -6.032 2.553 -1.409 644 1HD2 ASN 78 1HD2 ASN 78 -3.446 1.889 0.300 645 2HD2 ASN 78 2HD2 ASN 78 -2.781 3.465 0.543 646 H SER 79 H SER 79 -8.647 3.014 -1.513 647 HA SER 79 HA SER 79 -8.531 5.875 -1.656 648 1HB SER 79 2HB SER 79 -9.218 3.837 -3.418 649 2HB SER 79 3HB SER 79 -10.747 4.659 -3.107 650 HG SER 79 HG SER 79 -9.891 5.836 -4.701 651 H ARG 80 H ARG 80 -10.933 3.496 -0.605 652 HA ARG 80 HA ARG 80 -12.937 5.429 0.010 653 1HB ARG 80 2HB ARG 80 -14.255 3.653 0.615 654 2HB ARG 80 3HB ARG 80 -13.088 2.821 -0.404 655 1HG ARG 80 2HG ARG 80 -13.000 1.422 1.357 656 2HG ARG 80 3HG ARG 80 -11.836 2.608 1.950 657 1HD ARG 80 2HD ARG 80 -13.208 3.319 3.584 658 2HD ARG 80 3HD ARG 80 -14.638 3.231 2.556 659 HE ARG 80 HE ARG 80 -13.866 0.623 3.138 660 1HH1 ARG 80 2HH1 ARG 80 -15.032 3.436 4.824 661 2HH1 ARG 80 1HH1 ARG 80 -15.818 2.525 6.070 662 1HH2 ARG 80 2HH2 ARG 80 -14.897 -0.589 4.773 663 2HH2 ARG 80 1HH2 ARG 80 -15.740 0.236 6.040 664 H MET 81 H MET 81 -10.045 4.664 1.489 665 HA MET 81 HA MET 81 -10.387 4.545 4.168 666 1HB MET 81 2HB MET 81 -8.390 5.961 2.465 667 2HB MET 81 3HB MET 81 -8.372 6.273 4.195 668 1HG MET 81 2HG MET 81 -8.213 3.531 2.972 669 2HG MET 81 3HG MET 81 -6.815 4.490 3.452 670 1HE MET 81 1HE MET 81 -10.076 2.485 5.304 671 2HE MET 81 2HE MET 81 -8.979 1.916 4.045 672 3HE MET 81 3HE MET 81 -8.729 1.424 5.721 673 H GLN 82 H GLN 82 -10.622 6.028 5.886 674 HA GLN 82 HA GLN 82 -12.645 7.895 5.641 675 1HB GLN 82 2HB GLN 82 -10.466 7.617 7.706 676 2HB GLN 82 3HB GLN 82 -11.766 8.792 7.855 677 1HG GLN 82 2HG GLN 82 -13.242 6.622 7.435 678 2HG GLN 82 3HG GLN 82 -11.822 5.849 8.138 679 1HE2 GLN 82 1HE2 GLN 82 -13.835 8.719 8.711 680 2HE2 GLN 82 2HE2 GLN 82 -13.948 8.507 10.421 681 H TYR 83 H TYR 83 -12.626 10.220 5.861 682 HA TYR 83 HA TYR 83 -11.009 11.503 3.981 683 1HB TYR 83 2HB TYR 83 -13.238 12.305 4.789 684 2HB TYR 83 3HB TYR 83 -12.463 12.819 6.283 685 HD1 TYR 83 HD1 TYR 83 -10.968 13.118 2.916 686 HD2 TYR 83 HD2 TYR 83 -12.896 15.149 6.119 687 HE1 TYR 83 HE1 TYR 83 -10.407 15.276 1.877 688 HE2 TYR 83 HE2 TYR 83 -12.342 17.312 5.088 689 HH TYR 83 HH TYR 83 -11.750 18.251 2.983 690 H SER 84 H SER 84 -10.737 11.307 7.499 691 HA SER 84 HA SER 84 -8.718 13.142 7.944 692 1HB SER 84 2HB SER 84 -8.768 10.497 9.380 693 2HB SER 84 3HB SER 84 -8.364 12.091 10.017 694 HG SER 84 HG SER 84 -10.515 12.650 9.944 695 H GLU 85 H GLU 85 -8.373 9.678 7.193 696 HA GLU 85 HA GLU 85 -5.527 9.790 7.049 697 1HB GLU 85 2HB GLU 85 -6.819 7.724 7.566 698 2HB GLU 85 3HB GLU 85 -7.387 7.703 5.902 699 1HG GLU 85 2HG GLU 85 -5.627 6.451 5.424 700 2HG GLU 85 3HG GLU 85 -4.635 7.886 5.672 701 H LEU 86 H LEU 86 -8.139 10.078 4.725 702 HA LEU 86 HA LEU 86 -6.623 9.831 2.370 703 1HB LEU 86 2HB LEU 86 -9.253 10.096 2.924 704 2HB LEU 86 3HB LEU 86 -8.889 11.715 2.332 705 HG LEU 86 HG LEU 86 -9.772 10.275 0.565 706 1HD1 LEU 86 1HD1 LEU 86 -7.935 10.608 -1.071 707 2HD1 LEU 86 2HD1 LEU 86 -6.876 11.052 0.267 708 3HD1 LEU 86 3HD1 LEU 86 -8.290 12.038 -0.103 709 1HD2 LEU 86 1HD2 LEU 86 -8.943 8.237 0.003 710 2HD2 LEU 86 2HD2 LEU 86 -8.507 8.232 1.712 711 3HD2 LEU 86 3HD2 LEU 86 -7.299 8.644 0.494 712 H MET 87 H MET 87 -7.481 12.659 4.327 713 HA MET 87 HA MET 87 -6.101 14.489 2.594 714 1HB MET 87 2HB MET 87 -7.800 14.649 4.953 715 2HB MET 87 3HB MET 87 -6.449 15.772 5.032 716 1HG MET 87 2HG MET 87 -8.410 15.569 2.758 717 2HG MET 87 3HG MET 87 -8.457 16.771 4.046 718 1HE MET 87 1HE MET 87 -7.854 16.736 0.474 719 2HE MET 87 2HE MET 87 -6.119 16.910 0.212 720 3HE MET 87 3HE MET 87 -6.760 15.426 0.918 721 H THR 88 H THR 88 -5.324 12.599 5.401 722 HA THR 88 HA THR 88 -2.979 14.055 6.142 723 HB THR 88 HB THR 88 -3.915 11.270 6.842 724 HG1 THR 88 HG1 THR 88 -4.696 12.226 8.619 725 1HG2 THR 88 1HG2 THR 88 -1.444 12.771 7.664 726 2HG2 THR 88 2HG2 THR 88 -1.586 11.112 7.084 727 3HG2 THR 88 3HG2 THR 88 -2.160 11.534 8.697 728 H LYS 89 H LYS 89 -3.529 10.996 4.408 729 HA LYS 89 HA LYS 89 -0.826 10.428 3.891 730 1HB LYS 89 2HB LYS 89 -3.284 9.213 3.374 731 2HB LYS 89 3HB LYS 89 -2.598 9.511 1.782 732 1HG LYS 89 2HG LYS 89 -1.812 7.402 2.292 733 2HG LYS 89 3HG LYS 89 -0.461 8.438 2.758 734 1HD LYS 89 2HD LYS 89 -2.526 7.783 4.802 735 2HD LYS 89 3HD LYS 89 -1.353 6.540 4.359 736 1HE LYS 89 2HE LYS 89 0.432 8.305 4.774 737 2HE LYS 89 3HE LYS 89 -0.840 9.261 5.533 738 1HZ LYS 89 1HZ LYS 89 -0.372 6.479 6.382 739 2HZ LYS 89 2HZ LYS 89 -1.064 7.756 7.249 740 3HZ LYS 89 3HZ LYS 89 0.606 7.723 6.982 741 H TYR 90 H TYR 90 -2.780 12.885 2.696 742 HA TYR 90 HA TYR 90 -1.185 13.157 0.242 743 1HB TYR 90 2HB TYR 90 -3.501 13.208 -0.279 744 2HB TYR 90 3HB TYR 90 -3.855 14.296 1.058 745 HD1 TYR 90 HD1 TYR 90 -1.773 14.202 -2.047 746 HD2 TYR 90 HD2 TYR 90 -4.197 16.524 0.567 747 HE1 TYR 90 HE1 TYR 90 -1.556 16.125 -3.565 748 HE2 TYR 90 HE2 TYR 90 -3.988 18.454 -0.944 749 HH TYR 90 HH TYR 90 -3.272 19.161 -2.939 750 H HIS 91 H HIS 91 -2.350 14.982 3.051 751 HA HIS 91 HA HIS 91 -0.660 17.244 2.426 752 1HB HIS 91 2HB HIS 91 -3.014 17.044 3.749 753 2HB HIS 91 3HB HIS 91 -1.894 17.053 5.109 754 HD1 HIS 91 HD1 HIS 91 -1.473 19.317 5.977 755 HD2 HIS 91 HD2 HIS 91 -2.305 19.368 1.907 756 HE1 HIS 91 HE1 HIS 91 -1.416 21.741 5.309 757 H ASP 92 H ASP 92 -0.265 14.285 3.973 758 HA ASP 92 HA ASP 92 1.879 15.274 5.712 759 1HB ASP 92 2HB ASP 92 0.022 13.608 6.459 760 2HB ASP 92 3HB ASP 92 0.980 12.411 5.592 761 H LEU 93 H LEU 93 1.287 12.815 3.212 762 HA LEU 93 HA LEU 93 3.931 11.915 2.982 763 1HB LEU 93 2HB LEU 93 1.615 11.942 1.073 764 2HB LEU 93 3HB LEU 93 3.179 11.262 0.628 765 HG LEU 93 HG LEU 93 1.336 10.297 2.812 766 1HD1 LEU 93 1HD1 LEU 93 0.439 9.158 1.121 767 2HD1 LEU 93 2HD1 LEU 93 1.932 8.220 1.106 768 3HD1 LEU 93 3HD1 LEU 93 1.745 9.597 0.021 769 1HD2 LEU 93 1HD2 LEU 93 3.081 8.413 2.886 770 2HD2 LEU 93 2HD2 LEU 93 3.460 9.931 3.701 771 3HD2 LEU 93 3HD2 LEU 93 4.164 9.577 2.123 772 H LYS 94 H LYS 94 2.462 14.834 1.970 773 HA LYS 94 HA LYS 94 4.159 15.464 -0.215 774 1HB LYS 94 2HB LYS 94 3.388 17.828 0.243 775 2HB LYS 94 3HB LYS 94 2.111 16.655 -0.051 776 1HG LYS 94 2HG LYS 94 1.171 17.478 1.791 777 2HG LYS 94 3HG LYS 94 2.387 16.548 2.670 778 1HD LYS 94 2HD LYS 94 3.256 19.193 1.704 779 2HD LYS 94 3HD LYS 94 2.015 19.210 2.959 780 1HE LYS 94 2HE LYS 94 3.792 17.325 3.876 781 2HE LYS 94 3HE LYS 94 4.847 18.520 3.123 782 1HZ LYS 94 1HZ LYS 94 3.422 18.679 5.575 783 2HZ LYS 94 2HZ LYS 94 3.006 19.969 4.564 784 3HZ LYS 94 3HZ LYS 94 4.626 19.702 4.970 785 H LYS 95 H LYS 95 4.751 15.246 3.086 786 HA LYS 95 HA LYS 95 6.756 17.318 3.234 787 1HB LYS 95 2HB LYS 95 5.268 15.834 5.093 788 2HB LYS 95 3HB LYS 95 6.939 15.338 5.334 789 1HG LYS 95 2HG LYS 95 5.850 18.142 5.449 790 2HG LYS 95 3HG LYS 95 6.436 17.168 6.799 791 1HD LYS 95 2HD LYS 95 8.082 18.158 4.471 792 2HD LYS 95 3HD LYS 95 8.112 18.800 6.115 793 1HE LYS 95 2HE LYS 95 8.655 16.309 6.736 794 2HE LYS 95 3HE LYS 95 9.179 16.223 5.055 795 1HZ LYS 95 1HZ LYS 95 10.963 16.806 6.654 796 2HZ LYS 95 2HZ LYS 95 10.154 18.254 6.986 797 3HZ LYS 95 3HZ LYS 95 10.748 17.954 5.430 798 H GLN 96 H GLN 96 6.737 13.762 3.204 799 HA GLN 96 HA GLN 96 9.625 13.679 2.977 800 1HB GLN 96 2HB GLN 96 9.408 11.291 3.124 801 2HB GLN 96 3HB GLN 96 8.352 12.014 4.331 802 1HG GLN 96 2HG GLN 96 6.962 10.431 3.477 803 2HG GLN 96 3HG GLN 96 6.558 11.790 2.430 804 1HE2 GLN 96 1HE2 GLN 96 5.873 10.474 0.761 805 2HE2 GLN 96 2HE2 GLN 96 6.967 9.546 -0.201 806 H GLY 97 H GLY 97 6.859 13.586 0.911 807 1HA GLY 97 2HA GLY 97 8.640 13.004 -1.374 808 2HA GLY 97 3HA GLY 97 6.995 12.390 -1.290 809 H LYS 98 H LYS 98 5.948 13.397 -2.892 810 HA LYS 98 HA LYS 98 5.359 16.172 -2.661 811 1HB LYS 98 2HB LYS 98 6.306 16.930 -4.780 812 2HB LYS 98 3HB LYS 98 7.574 16.368 -3.699 813 1HG LYS 98 2HG LYS 98 6.411 14.508 -5.724 814 2HG LYS 98 3HG LYS 98 7.619 15.702 -6.204 815 1HD LYS 98 2HD LYS 98 9.006 14.791 -4.244 816 2HD LYS 98 3HD LYS 98 7.891 13.423 -4.267 817 1HE LYS 98 2HE LYS 98 9.527 14.376 -6.615 818 2HE LYS 98 3HE LYS 98 9.940 13.011 -5.579 819 1HZ LYS 98 1HZ LYS 98 7.336 13.107 -6.957 820 2HZ LYS 98 2HZ LYS 98 8.187 11.763 -6.385 821 3HZ LYS 98 3HZ LYS 98 8.716 12.569 -7.775 822 H ILE 99 H ILE 99 3.991 16.916 -4.568 823 HA ILE 99 HA ILE 99 2.665 14.723 -5.968 824 HB ILE 99 HB ILE 99 1.326 14.901 -3.980 825 1HG1 ILE 99 2HG1 ILE 99 0.322 14.986 -6.462 826 2HG1 ILE 99 3HG1 ILE 99 -0.702 14.952 -5.031 827 1HG2 ILE 99 1HG2 ILE 99 1.925 17.033 -3.132 828 2HG2 ILE 99 2HG2 ILE 99 1.308 17.852 -4.566 829 3HG2 ILE 99 3HG2 ILE 99 0.190 17.082 -3.440 830 1HD1 ILE 99 1HD1 ILE 99 -1.246 17.190 -5.212 831 2HD1 ILE 99 2HD1 ILE 99 0.161 17.555 -6.212 832 3HD1 ILE 99 3HD1 ILE 99 -1.195 16.658 -6.893 833 H LYS 100 H LYS 100 1.740 15.300 -7.902 834 HA LYS 100 HA LYS 100 1.941 18.138 -8.665 835 1HB LYS 100 2HB LYS 100 2.505 15.790 -10.481 836 2HB LYS 100 3HB LYS 100 2.690 17.495 -10.872 837 1HG LYS 100 2HG LYS 100 4.266 16.074 -8.738 838 2HG LYS 100 3HG LYS 100 4.822 16.313 -10.397 839 1HD LYS 100 2HD LYS 100 5.155 18.554 -10.107 840 2HD LYS 100 3HD LYS 100 3.881 18.697 -8.893 841 1HE LYS 100 2HE LYS 100 5.989 19.032 -7.809 842 2HE LYS 100 3HE LYS 100 5.352 17.468 -7.303 843 1HZ LYS 100 1HZ LYS 100 7.129 17.506 -9.620 844 2HZ LYS 100 2HZ LYS 100 6.971 16.348 -8.397 845 3HZ LYS 100 3HZ LYS 100 7.832 17.775 -8.104 846 H ASP 101 H ASP 101 0.311 18.970 -9.922 847 HA ASP 101 HA ASP 101 -2.030 17.222 -10.276 848 1HB ASP 101 2HB ASP 101 -2.404 19.118 -8.769 849 2HB ASP 101 3HB ASP 101 -1.892 20.235 -10.031 850 H ARG 102 H ARG 102 -1.376 16.395 -12.293 851 HA ARG 102 HA ARG 102 -0.732 18.112 -14.488 852 1HB ARG 102 2HB ARG 102 -1.124 15.198 -14.078 853 2HB ARG 102 3HB ARG 102 -1.359 15.805 -15.712 854 1HG ARG 102 2HG ARG 102 0.865 16.620 -15.824 855 2HG ARG 102 3HG ARG 102 1.116 16.354 -14.097 856 1HD ARG 102 2HD ARG 102 0.704 13.897 -14.560 857 2HD ARG 102 3HD ARG 102 0.824 14.297 -16.273 858 HE ARG 102 HE ARG 102 3.076 15.293 -14.899 859 1HH1 ARG 102 2HH1 ARG 102 1.658 12.301 -15.977 860 2HH1 ARG 102 1HH1 ARG 102 3.179 11.484 -16.127 861 1HH2 ARG 102 2HH2 ARG 102 5.083 14.228 -15.093 862 2HH2 ARG 102 1HH2 ARG 102 5.126 12.580 -15.623 863 HA PRO 103 HA PRO 103 -4.684 19.088 -16.122 864 1HB PRO 103 2HB PRO 103 -4.288 18.851 -18.797 865 2HB PRO 103 3HB PRO 103 -3.603 20.168 -17.838 866 1HG PRO 103 2HG PRO 103 -2.305 17.643 -18.785 867 2HG PRO 103 3HG PRO 103 -1.661 19.295 -18.771 868 1HD PRO 103 2HD PRO 103 -1.003 17.458 -16.893 869 2HD PRO 103 3HD PRO 103 -1.108 19.193 -16.535 870 H VAL 104 H VAL 104 -6.595 18.228 -16.974 871 HA VAL 104 HA VAL 104 -6.702 15.332 -17.001 872 HB VAL 104 HB VAL 104 -8.408 16.683 -15.792 873 1HG1 VAL 104 1HG1 VAL 104 -9.567 17.338 -18.485 874 2HG1 VAL 104 2HG1 VAL 104 -10.021 17.978 -16.904 875 3HG1 VAL 104 3HG1 VAL 104 -8.485 18.443 -17.637 876 1HG2 VAL 104 1HG2 VAL 104 -10.169 15.232 -16.259 877 2HG2 VAL 104 2HG2 VAL 104 -9.769 15.142 -17.974 878 3HG2 VAL 104 3HG2 VAL 104 -8.748 14.331 -16.787 879 H LYS 105 H LYS 105 -7.059 14.055 -18.731 880 HA LYS 105 HA LYS 105 -6.869 15.278 -21.359 881 1HB LYS 105 2HB LYS 105 -5.936 12.896 -20.235 882 2HB LYS 105 3HB LYS 105 -7.189 12.395 -21.362 883 1HG LYS 105 2HG LYS 105 -5.063 12.390 -22.476 884 2HG LYS 105 3HG LYS 105 -6.063 13.685 -23.138 885 1HD LYS 105 2HD LYS 105 -4.888 15.295 -21.683 886 2HD LYS 105 3HD LYS 105 -3.856 13.987 -21.100 887 1HE LYS 105 2HE LYS 105 -2.870 13.692 -23.230 888 2HE LYS 105 3HE LYS 105 -4.090 14.695 -24.014 889 1HZ LYS 105 1HZ LYS 105 -3.141 16.620 -23.231 890 2HZ LYS 105 2HZ LYS 105 -1.768 15.672 -23.509 891 3HZ LYS 105 3HZ LYS 105 -2.363 15.858 -21.936 892 H GLU 106 H GLU 106 -8.420 15.239 -22.925 893 HA GLU 106 HA GLU 106 -11.132 14.865 -22.065 894 1HB GLU 106 2HB GLU 106 -11.768 15.876 -24.072 895 2HB GLU 106 3HB GLU 106 -10.225 16.633 -23.704 896 1HG GLU 106 2HG GLU 106 -10.676 14.383 -25.651 897 2HG GLU 106 3HG GLU 106 -10.384 16.073 -26.057 898 H VAL 107 H VAL 107 -12.531 13.253 -22.557 899 HA VAL 107 HA VAL 107 -11.417 10.934 -23.989 900 HB VAL 107 HB VAL 107 -13.328 11.162 -21.700 901 1HG1 VAL 107 1HG1 VAL 107 -13.286 8.980 -23.763 902 2HG1 VAL 107 2HG1 VAL 107 -13.836 8.695 -22.110 903 3HG1 VAL 107 3HG1 VAL 107 -14.669 9.870 -23.128 904 1HG2 VAL 107 1HG2 VAL 107 -11.500 10.415 -20.672 905 2HG2 VAL 107 2HG2 VAL 107 -11.752 8.877 -21.498 906 3HG2 VAL 107 3HG2 VAL 107 -10.690 10.094 -22.206 907 H HIS 108 H HIS 108 -12.528 9.993 -25.646 908 HA HIS 108 HA HIS 108 -15.032 11.310 -26.473 909 1HB HIS 108 2HB HIS 108 -12.779 10.282 -28.208 910 2HB HIS 108 3HB HIS 108 -14.336 10.827 -28.826 911 HD1 HIS 108 HD1 HIS 108 -14.566 13.353 -26.949 912 HD2 HIS 108 HD2 HIS 108 -11.266 12.329 -29.256 913 HE1 HIS 108 HE1 HIS 108 -13.314 15.502 -27.323 914 H GLU 109 H GLU 109 -16.126 9.842 -28.256 915 HA GLU 109 HA GLU 109 -16.750 7.372 -26.921 916 1HB GLU 109 2HB GLU 109 -17.819 8.839 -29.297 917 2HB GLU 109 3HB GLU 109 -18.218 7.139 -29.095 918 1HG GLU 109 2HG GLU 109 -18.983 7.773 -26.748 919 2HG GLU 109 3HG GLU 109 -18.904 9.443 -27.307 920 H GLU 110 H GLU 110 -15.731 5.515 -27.226 921 HA GLU 110 HA GLU 110 -15.217 4.270 -29.623 922 1HB GLU 110 2HB GLU 110 -13.355 6.367 -29.179 923 2HB GLU 110 3HB GLU 110 -12.494 4.849 -28.971 924 1HG GLU 110 2HG GLU 110 -12.484 4.446 -31.152 925 2HG GLU 110 3HG GLU 110 -14.203 4.804 -31.304 926 H TYR 111 H TYR 111 -12.934 2.830 -29.204 927 HA TYR 111 HA TYR 111 -13.423 1.588 -26.576 928 1HB TYR 111 2HB TYR 111 -12.507 -0.513 -27.790 929 2HB TYR 111 3HB TYR 111 -14.163 -0.009 -28.109 930 HD1 TYR 111 HD1 TYR 111 -14.727 1.107 -30.245 931 HD2 TYR 111 HD2 TYR 111 -10.846 -0.473 -29.509 932 HE1 TYR 111 HE1 TYR 111 -14.241 1.195 -32.654 933 HE2 TYR 111 HE2 TYR 111 -10.348 -0.388 -31.916 934 HH TYR 111 HH TYR 111 -11.189 0.967 -33.923 935 H ASP 112 H ASP 112 -11.775 3.073 -25.769 936 HA ASP 112 HA ASP 112 -9.048 2.162 -26.421 937 1HB ASP 112 2HB ASP 112 -10.125 4.881 -25.767 938 2HB ASP 112 3HB ASP 112 -8.455 4.489 -25.366 939 H LEU 113 H LEU 113 -10.433 4.045 -23.740 940 HA LEU 113 HA LEU 113 -8.791 2.956 -21.769 941 1HB LEU 113 2HB LEU 113 -10.535 3.797 -20.174 942 2HB LEU 113 3HB LEU 113 -9.904 4.986 -21.312 943 HG LEU 113 HG LEU 113 -12.366 3.634 -22.179 944 1HD1 LEU 113 1HD1 LEU 113 -13.848 4.676 -20.684 945 2HD1 LEU 113 2HD1 LEU 113 -12.570 5.657 -19.968 946 3HD1 LEU 113 3HD1 LEU 113 -12.620 3.919 -19.669 947 1HD2 LEU 113 1HD2 LEU 113 -12.117 6.568 -21.929 948 2HD2 LEU 113 2HD2 LEU 113 -12.724 5.588 -23.263 949 3HD2 LEU 113 3HD2 LEU 113 -10.986 5.768 -23.020 950 H TRP 114 H TRP 114 -10.124 1.979 -19.700 951 HA TRP 114 HA TRP 114 -10.520 -0.724 -20.329 952 1HB TRP 114 2HB TRP 114 -11.146 0.930 -17.893 953 2HB TRP 114 3HB TRP 114 -11.563 -0.780 -17.968 954 HD1 TRP 114 HD1 TRP 114 -9.024 1.189 -16.501 955 HE1 TRP 114 HE1 TRP 114 -6.772 -0.043 -16.313 956 HE3 TRP 114 HE3 TRP 114 -9.899 -2.610 -19.809 957 HZ2 TRP 114 HZ2 TRP 114 -5.530 -2.323 -17.422 958 HZ3 TRP 114 HZ3 TRP 114 -8.127 -4.274 -20.189 959 HH2 TRP 114 HH2 TRP 114 -5.989 -4.132 -19.019 960 H GLU 115 H GLU 115 -12.832 1.894 -19.749 961 HA GLU 115 HA GLU 115 -15.103 2.006 -19.985 962 1HB GLU 115 2HB GLU 115 -14.074 0.582 -22.386 963 2HB GLU 115 3HB GLU 115 -15.815 0.617 -22.151 964 1HG GLU 115 2HG GLU 115 -14.959 3.235 -21.707 965 2HG GLU 115 3HG GLU 115 -14.056 2.673 -23.113 966 H ASP 116 H ASP 116 -15.126 0.632 -17.955 967 HA ASP 116 HA ASP 116 -17.194 -1.231 -18.088 968 1HB ASP 116 2HB ASP 116 -16.022 -2.989 -18.938 969 2HB ASP 116 3HB ASP 116 -14.472 -2.358 -18.388 970 HA PRO 117 HA PRO 117 -15.250 -1.403 -13.674 971 1HB PRO 117 2HB PRO 117 -12.840 -0.204 -13.317 972 2HB PRO 117 3HB PRO 117 -13.009 -1.898 -13.791 973 1HG PRO 117 2HG PRO 117 -12.434 0.496 -15.493 974 2HG PRO 117 3HG PRO 117 -11.698 -1.116 -15.545 975 1HD PRO 117 2HD PRO 117 -13.623 -0.337 -17.282 976 2HD PRO 117 3HD PRO 117 -13.454 -2.018 -16.735 977 H ILE 118 H ILE 118 -14.036 1.535 -15.302 978 HA ILE 118 HA ILE 118 -14.911 3.235 -13.156 979 HB ILE 118 HB ILE 118 -13.964 5.025 -14.320 980 1HG1 ILE 118 2HG1 ILE 118 -15.218 4.683 -16.426 981 2HG1 ILE 118 3HG1 ILE 118 -13.523 5.056 -16.715 982 1HG2 ILE 118 1HG2 ILE 118 -11.783 4.226 -15.090 983 2HG2 ILE 118 2HG2 ILE 118 -12.291 3.402 -13.617 984 3HG2 ILE 118 3HG2 ILE 118 -12.416 2.582 -15.174 985 1HD1 ILE 118 1HD1 ILE 118 -14.214 3.327 -18.214 986 2HD1 ILE 118 2HD1 ILE 118 -13.103 2.637 -17.030 987 3HD1 ILE 118 3HD1 ILE 118 -14.837 2.357 -16.879 988 H TRP 119 H TRP 119 -16.406 1.842 -15.848 989 HA TRP 119 HA TRP 119 -18.347 3.962 -16.233 990 1HB TRP 119 2HB TRP 119 -17.406 2.347 -18.040 991 2HB TRP 119 3HB TRP 119 -18.582 1.203 -17.398 992 HD1 TRP 119 HD1 TRP 119 -21.228 2.045 -17.522 993 HE1 TRP 119 HE1 TRP 119 -22.391 3.451 -19.337 994 HE3 TRP 119 HE3 TRP 119 -17.101 4.132 -19.700 995 HZ2 TRP 119 HZ2 TRP 119 -21.656 5.212 -21.417 996 HZ3 TRP 119 HZ3 TRP 119 -17.417 5.666 -21.597 997 HH2 TRP 119 HH2 TRP 119 -19.648 6.193 -22.437 998 H GLN 120 H GLN 120 -18.029 1.010 -14.452 999 HA GLN 120 HA GLN 120 -20.876 0.816 -13.912 1000 1HB GLN 120 2HB GLN 120 -18.475 -0.847 -13.284 1001 2HB GLN 120 3HB GLN 120 -19.916 -1.034 -12.293 1002 1HG GLN 120 2HG GLN 120 -20.102 -1.166 -15.272 1003 2HG GLN 120 3HG GLN 120 -19.571 -2.566 -14.341 1004 1HE2 GLN 120 1HE2 GLN 120 -22.218 -0.547 -15.215 1005 2HE2 GLN 120 2HE2 GLN 120 -23.460 -1.474 -14.451 1006 H TYR 121 H TYR 121 -18.129 0.657 -11.661 1007 HA TYR 121 HA TYR 121 -19.234 2.850 -10.098 1008 1HB TYR 121 2HB TYR 121 -19.227 -0.005 -9.236 1009 2HB TYR 121 3HB TYR 121 -18.855 1.222 -8.030 1010 HD1 TYR 121 HD1 TYR 121 -20.545 2.885 -7.385 1011 HD2 TYR 121 HD2 TYR 121 -21.449 -0.239 -10.128 1012 HE1 TYR 121 HE1 TYR 121 -22.946 3.310 -7.068 1013 HE2 TYR 121 HE2 TYR 121 -23.853 0.178 -9.820 1014 HH TYR 121 HH TYR 121 -25.059 2.948 -8.306 1015 H ILE 122 H ILE 122 -17.775 3.039 -7.994 1016 HA ILE 122 HA ILE 122 -15.251 3.831 -8.792 1017 HB ILE 122 HB ILE 122 -14.633 3.874 -6.412 1018 1HG1 ILE 122 2HG1 ILE 122 -17.316 2.560 -5.937 1019 2HG1 ILE 122 3HG1 ILE 122 -15.765 1.739 -5.800 1020 1HG2 ILE 122 1HG2 ILE 122 -17.435 4.840 -6.968 1021 2HG2 ILE 122 2HG2 ILE 122 -16.395 5.404 -5.661 1022 3HG2 ILE 122 3HG2 ILE 122 -15.942 5.702 -7.340 1023 1HD1 ILE 122 1HD1 ILE 122 -16.974 3.810 -4.033 1024 2HD1 ILE 122 2HD1 ILE 122 -16.227 2.267 -3.616 1025 3HD1 ILE 122 3HD1 ILE 122 -15.221 3.631 -4.106 Start of MODEL 4 1 H MET 1 H MET 1 1.093 0.686 -1.791 2 HA MET 1 HA MET 1 2.139 -1.564 -2.442 3 1HB MET 1 2HB MET 1 0.029 -1.004 -0.809 4 2HB MET 1 3HB MET 1 -0.710 -2.124 -1.946 5 1HG MET 1 2HG MET 1 0.931 -3.805 -1.434 6 2HG MET 1 3HG MET 1 1.812 -2.679 -0.405 7 1HE MET 1 1HE MET 1 0.300 -1.595 2.031 8 2HE MET 1 2HE MET 1 0.457 -3.110 2.920 9 3HE MET 1 3HE MET 1 1.727 -2.607 1.803 10 H GLN 2 H GLN 2 -0.502 -0.237 -4.287 11 HA GLN 2 HA GLN 2 -0.986 -2.554 -5.878 12 1HB GLN 2 2HB GLN 2 -1.589 0.279 -6.702 13 2HB GLN 2 3HB GLN 2 -2.436 -1.193 -7.161 14 1HG GLN 2 2HG GLN 2 -3.909 -0.510 -5.617 15 2HG GLN 2 3HG GLN 2 -2.781 -1.275 -4.500 16 1HE2 GLN 2 1HE2 GLN 2 -4.672 1.152 -4.479 17 2HE2 GLN 2 2HE2 GLN 2 -3.708 2.396 -3.768 18 H LYS 3 H LYS 3 1.185 -3.135 -6.464 19 HA LYS 3 HA LYS 3 2.173 -1.578 -8.760 20 1HB LYS 3 2HB LYS 3 3.952 -3.077 -6.838 21 2HB LYS 3 3HB LYS 3 4.445 -1.985 -8.126 22 1HG LYS 3 2HG LYS 3 4.424 -0.290 -6.709 23 2HG LYS 3 3HG LYS 3 2.710 -0.565 -6.385 24 1HD LYS 3 2HD LYS 3 3.121 -1.580 -4.418 25 2HD LYS 3 3HD LYS 3 4.532 -2.437 -5.042 26 1HE LYS 3 2HE LYS 3 5.884 -0.441 -4.811 27 2HE LYS 3 3HE LYS 3 4.476 0.485 -4.294 28 1HZ LYS 3 1HZ LYS 3 5.348 -0.035 -2.282 29 2HZ LYS 3 2HZ LYS 3 6.059 -1.474 -2.814 30 3HZ LYS 3 3HZ LYS 3 4.399 -1.419 -2.492 31 H GLY 4 H GLY 4 1.970 -2.730 -10.558 32 1HA GLY 4 2HA GLY 4 2.795 -4.629 -11.837 33 2HA GLY 4 3HA GLY 4 2.512 -5.629 -10.420 34 H LEU 5 H LEU 5 0.125 -3.272 -11.176 35 HA LEU 5 HA LEU 5 -1.465 -5.022 -12.829 36 1HB LEU 5 2HB LEU 5 -1.742 -5.757 -10.392 37 2HB LEU 5 3HB LEU 5 -2.613 -4.242 -10.167 38 HG LEU 5 HG LEU 5 -3.982 -6.362 -10.568 39 1HD1 LEU 5 1HD1 LEU 5 -5.006 -4.644 -12.615 40 2HD1 LEU 5 2HD1 LEU 5 -4.368 -3.675 -11.287 41 3HD1 LEU 5 3HD1 LEU 5 -5.597 -4.900 -10.973 42 1HD2 LEU 5 1HD2 LEU 5 -2.417 -6.946 -12.560 43 2HD2 LEU 5 2HD2 LEU 5 -3.457 -5.848 -13.466 44 3HD2 LEU 5 3HD2 LEU 5 -4.145 -7.272 -12.685 45 H GLU 6 H GLU 6 -3.151 -3.964 -13.859 46 HA GLU 6 HA GLU 6 -3.062 -1.049 -13.649 47 1HB GLU 6 2HB GLU 6 -4.619 -2.511 -15.746 48 2HB GLU 6 3HB GLU 6 -3.824 -0.946 -15.841 49 1HG GLU 6 2HG GLU 6 -2.292 -2.061 -17.026 50 2HG GLU 6 3HG GLU 6 -1.695 -2.559 -15.444 51 H ILE 7 H ILE 7 -4.623 0.068 -12.690 52 HA ILE 7 HA ILE 7 -7.278 -1.172 -12.406 53 HB ILE 7 HB ILE 7 -7.314 0.269 -10.201 54 1HG1 ILE 7 2HG1 ILE 7 -4.849 0.964 -10.869 55 2HG1 ILE 7 3HG1 ILE 7 -5.298 0.724 -9.184 56 1HG2 ILE 7 1HG2 ILE 7 -6.175 -2.461 -10.647 57 2HG2 ILE 7 2HG2 ILE 7 -6.292 -1.794 -9.019 58 3HG2 ILE 7 3HG2 ILE 7 -7.747 -1.998 -9.994 59 1HD1 ILE 7 1HD1 ILE 7 -4.139 -1.252 -9.020 60 2HD1 ILE 7 2HD1 ILE 7 -4.197 -1.554 -10.757 61 3HD1 ILE 7 3HD1 ILE 7 -3.116 -0.320 -10.113 62 H ALA 8 H ALA 8 -9.048 0.208 -12.493 63 HA ALA 8 HA ALA 8 -8.453 2.956 -13.380 64 1HB ALA 8 1HB ALA 8 -9.600 1.043 -14.906 65 2HB ALA 8 2HB ALA 8 -11.028 1.793 -14.193 66 3HB ALA 8 3HB ALA 8 -9.882 2.773 -15.107 67 H PHE 9 H PHE 9 -9.747 4.629 -12.636 68 HA PHE 9 HA PHE 9 -11.807 3.976 -10.658 69 1HB PHE 9 2HB PHE 9 -9.783 4.355 -9.358 70 2HB PHE 9 3HB PHE 9 -9.504 5.882 -10.190 71 HD1 PHE 9 HD1 PHE 9 -12.194 4.192 -8.230 72 HD2 PHE 9 HD2 PHE 9 -10.111 7.801 -9.098 73 HE1 PHE 9 HE1 PHE 9 -13.512 5.362 -6.512 74 HE2 PHE 9 HE2 PHE 9 -11.425 8.976 -7.381 75 HZ PHE 9 HZ PHE 9 -13.127 7.757 -6.085 76 H GLN 10 H GLN 10 -13.534 5.321 -10.670 77 HA GLN 10 HA GLN 10 -13.391 7.656 -12.462 78 1HB GLN 10 2HB GLN 10 -15.774 7.278 -12.961 79 2HB GLN 10 3HB GLN 10 -14.777 5.907 -13.428 80 1HG GLN 10 2HG GLN 10 -15.521 4.618 -11.596 81 2HG GLN 10 3HG GLN 10 -16.263 6.017 -10.822 82 1HE2 GLN 10 1HE2 GLN 10 -18.295 6.607 -11.372 83 2HE2 GLN 10 2HE2 GLN 10 -19.281 5.749 -12.502 84 H THR 11 H THR 11 -14.904 9.408 -11.956 85 HA THR 11 HA THR 11 -16.014 9.514 -9.291 86 HB THR 11 HB THR 11 -13.861 10.152 -8.599 87 HG1 THR 11 HG1 THR 11 -14.155 12.348 -8.065 88 1HG2 THR 11 1HG2 THR 11 -13.040 12.327 -10.131 89 2HG2 THR 11 2HG2 THR 11 -13.634 11.154 -11.306 90 3HG2 THR 11 3HG2 THR 11 -12.368 10.697 -10.167 91 H ILE 12 H ILE 12 -17.804 10.717 -9.309 92 HA ILE 12 HA ILE 12 -18.069 12.819 -11.351 93 HB ILE 12 HB ILE 12 -20.358 11.030 -10.555 94 1HG1 ILE 12 2HG1 ILE 12 -19.827 10.279 -13.097 95 2HG1 ILE 12 3HG1 ILE 12 -18.192 10.602 -12.531 96 1HG2 ILE 12 1HG2 ILE 12 -21.253 12.962 -11.452 97 2HG2 ILE 12 2HG2 ILE 12 -19.921 13.177 -12.586 98 3HG2 ILE 12 3HG2 ILE 12 -21.127 11.922 -12.871 99 1HD1 ILE 12 1HD1 ILE 12 -18.195 8.543 -11.719 100 2HD1 ILE 12 2HD1 ILE 12 -19.336 9.110 -10.499 101 3HD1 ILE 12 3HD1 ILE 12 -19.929 8.367 -11.985 102 H ASN 13 H ASN 13 -19.158 11.522 -8.253 103 HA ASN 13 HA ASN 13 -20.893 13.504 -7.436 104 1HB ASN 13 2HB ASN 13 -20.043 11.291 -6.264 105 2HB ASN 13 3HB ASN 13 -18.950 12.405 -5.448 106 1HD2 ASN 13 1HD2 ASN 13 -20.527 11.160 -3.817 107 2HD2 ASN 13 2HD2 ASN 13 -21.847 12.137 -3.281 108 H GLY 14 H GLY 14 -17.425 13.601 -7.704 109 1HA GLY 14 2HA GLY 14 -16.182 15.596 -7.880 110 2HA GLY 14 3HA GLY 14 -17.494 16.457 -7.089 111 H LEU 15 H LEU 15 -17.563 14.272 -4.997 112 HA LEU 15 HA LEU 15 -15.760 15.547 -3.174 113 1HB LEU 15 2HB LEU 15 -18.092 14.458 -2.756 114 2HB LEU 15 3HB LEU 15 -17.157 12.974 -2.578 115 HG LEU 15 HG LEU 15 -15.907 13.987 -0.730 116 1HD1 LEU 15 1HD1 LEU 15 -17.586 16.367 -1.422 117 2HD1 LEU 15 2HD1 LEU 15 -15.849 16.272 -1.137 118 3HD1 LEU 15 3HD1 LEU 15 -16.972 16.135 0.215 119 1HD2 LEU 15 1HD2 LEU 15 -18.740 13.402 -0.742 120 2HD2 LEU 15 2HD2 LEU 15 -18.312 14.524 0.549 121 3HD2 LEU 15 3HD2 LEU 15 -17.502 12.961 0.434 122 H ASP 16 H ASP 16 -15.321 13.194 -5.468 123 HA ASP 16 HA ASP 16 -13.339 11.678 -3.955 124 1HB ASP 16 2HB ASP 16 -14.881 11.260 -6.420 125 2HB ASP 16 3HB ASP 16 -13.203 10.734 -6.528 126 H GLU 17 H GLU 17 -13.436 14.501 -5.683 127 HA GLU 17 HA GLU 17 -11.267 14.521 -7.369 128 1HB GLU 17 2HB GLU 17 -11.041 16.939 -6.799 129 2HB GLU 17 3HB GLU 17 -12.685 16.451 -7.186 130 1HG GLU 17 2HG GLU 17 -12.967 16.191 -4.637 131 2HG GLU 17 3HG GLU 17 -11.512 17.181 -4.537 132 H SER 18 H SER 18 -11.270 14.999 -3.853 133 HA SER 18 HA SER 18 -8.542 15.530 -3.541 134 1HB SER 18 2HB SER 18 -10.704 14.517 -1.744 135 2HB SER 18 3HB SER 18 -9.034 14.423 -1.186 136 HG SER 18 HG SER 18 -9.066 16.777 -1.978 137 H LEU 19 H LEU 19 -10.308 12.474 -3.634 138 HA LEU 19 HA LEU 19 -8.149 10.803 -2.927 139 1HB LEU 19 2HB LEU 19 -10.756 10.386 -3.219 140 2HB LEU 19 3HB LEU 19 -10.229 9.816 -4.801 141 HG LEU 19 HG LEU 19 -9.711 8.657 -2.096 142 1HD1 LEU 19 1HD1 LEU 19 -10.060 6.590 -3.721 143 2HD1 LEU 19 2HD1 LEU 19 -10.889 7.814 -4.683 144 3HD1 LEU 19 3HD1 LEU 19 -11.416 7.484 -3.033 145 1HD2 LEU 19 1HD2 LEU 19 -7.979 7.210 -3.139 146 2HD2 LEU 19 2HD2 LEU 19 -7.490 8.896 -2.971 147 3HD2 LEU 19 3HD2 LEU 19 -7.993 8.276 -4.544 148 H VAL 20 H VAL 20 -9.314 12.007 -6.033 149 HA VAL 20 HA VAL 20 -7.638 10.447 -7.678 150 HB VAL 20 HB VAL 20 -8.646 13.218 -8.318 151 1HG1 VAL 20 1HG1 VAL 20 -7.705 12.860 -10.295 152 2HG1 VAL 20 2HG1 VAL 20 -7.159 11.266 -9.773 153 3HG1 VAL 20 3HG1 VAL 20 -8.745 11.455 -10.521 154 1HG2 VAL 20 1HG2 VAL 20 -10.480 11.651 -9.458 155 2HG2 VAL 20 2HG2 VAL 20 -10.079 10.636 -8.073 156 3HG2 VAL 20 3HG2 VAL 20 -10.657 12.283 -7.821 157 H GLN 21 H GLN 21 -7.278 13.792 -6.505 158 HA GLN 21 HA GLN 21 -4.705 14.168 -7.630 159 1HB GLN 21 2HB GLN 21 -6.221 15.604 -5.458 160 2HB GLN 21 3HB GLN 21 -4.608 16.094 -5.956 161 1HG GLN 21 2HG GLN 21 -6.987 15.920 -7.789 162 2HG GLN 21 3HG GLN 21 -6.412 17.398 -7.019 163 1HE2 GLN 21 1HE2 GLN 21 -6.545 16.145 -9.870 164 2HE2 GLN 21 2HE2 GLN 21 -5.004 16.561 -10.532 165 H ALA 22 H ALA 22 -5.840 12.993 -4.522 166 HA ALA 22 HA ALA 22 -3.302 13.022 -3.233 167 1HB ALA 22 1HB ALA 22 -4.474 11.387 -1.652 168 2HB ALA 22 2HB ALA 22 -5.143 13.013 -1.791 169 3HB ALA 22 3HB ALA 22 -5.912 11.668 -2.634 170 H LEU 23 H LEU 23 -5.237 10.386 -4.655 171 HA LEU 23 HA LEU 23 -3.344 8.355 -4.264 172 1HB LEU 23 2HB LEU 23 -4.712 7.010 -5.531 173 2HB LEU 23 3HB LEU 23 -5.836 8.245 -4.968 174 HG LEU 23 HG LEU 23 -5.248 9.367 -7.276 175 1HD1 LEU 23 1HD1 LEU 23 -5.206 6.810 -8.548 176 2HD1 LEU 23 2HD1 LEU 23 -3.822 6.948 -7.463 177 3HD1 LEU 23 3HD1 LEU 23 -4.082 8.158 -8.719 178 1HD2 LEU 23 1HD2 LEU 23 -7.455 8.500 -6.452 179 2HD2 LEU 23 2HD2 LEU 23 -7.046 6.953 -7.194 180 3HD2 LEU 23 3HD2 LEU 23 -7.213 8.395 -8.196 181 H ALA 24 H ALA 24 -3.759 10.695 -6.851 182 HA ALA 24 HA ALA 24 -1.953 9.528 -8.688 183 1HB ALA 24 1HB ALA 24 -3.687 11.290 -9.185 184 2HB ALA 24 2HB ALA 24 -2.577 12.463 -8.475 185 3HB ALA 24 3HB ALA 24 -2.099 11.552 -9.907 186 H GLY 25 H GLY 25 -1.551 11.969 -6.148 187 1HA GLY 25 2HA GLY 25 1.160 12.560 -6.727 188 2HA GLY 25 3HA GLY 25 0.332 12.895 -5.213 189 H VAL 26 H VAL 26 -0.317 10.404 -4.312 190 HA VAL 26 HA VAL 26 2.091 9.524 -3.163 191 HB VAL 26 HB VAL 26 -0.053 9.177 -2.057 192 1HG1 VAL 26 1HG1 VAL 26 -1.364 8.722 -4.107 193 2HG1 VAL 26 2HG1 VAL 26 -0.626 7.120 -4.187 194 3HG1 VAL 26 3HG1 VAL 26 -1.658 7.550 -2.822 195 1HG2 VAL 26 1HG2 VAL 26 0.408 7.082 -1.128 196 2HG2 VAL 26 2HG2 VAL 26 1.039 6.444 -2.646 197 3HG2 VAL 26 3HG2 VAL 26 1.971 7.632 -1.735 198 H THR 27 H THR 27 0.218 8.329 -5.900 199 HA THR 27 HA THR 27 1.660 5.934 -6.298 200 HB THR 27 HB THR 27 0.768 6.127 -8.685 201 HG1 THR 27 HG1 THR 27 -0.374 7.862 -9.207 202 1HG2 THR 27 1HG2 THR 27 -0.686 4.783 -7.628 203 2HG2 THR 27 2HG2 THR 27 -1.724 6.205 -7.533 204 3HG2 THR 27 3HG2 THR 27 -0.685 5.779 -6.173 205 H ALA 28 H ALA 28 1.886 9.079 -7.967 206 HA ALA 28 HA ALA 28 4.047 8.446 -9.616 207 1HB ALA 28 1HB ALA 28 3.029 11.049 -8.524 208 2HB ALA 28 2HB ALA 28 4.433 10.973 -9.590 209 3HB ALA 28 3HB ALA 28 2.865 10.393 -10.153 210 H SER 29 H SER 29 3.962 9.691 -6.314 211 HA SER 29 HA SER 29 6.792 10.078 -6.138 212 1HB SER 29 2HB SER 29 4.484 10.236 -4.260 213 2HB SER 29 3HB SER 29 6.090 10.024 -3.562 214 HG SER 29 HG SER 29 5.271 12.262 -3.984 215 H ASP 30 H ASP 30 4.577 7.467 -5.442 216 HA ASP 30 HA ASP 30 6.504 5.901 -3.987 217 1HB ASP 30 2HB ASP 30 3.723 5.420 -5.010 218 2HB ASP 30 3HB ASP 30 4.699 4.073 -4.431 219 H PHE 31 H PHE 31 5.799 6.473 -7.271 220 HA PHE 31 HA PHE 31 7.307 4.070 -8.066 221 1HB PHE 31 2HB PHE 31 5.073 5.569 -9.375 222 2HB PHE 31 3HB PHE 31 6.236 4.718 -10.385 223 HD1 PHE 31 HD1 PHE 31 6.541 2.250 -10.072 224 HD2 PHE 31 HD2 PHE 31 3.364 4.420 -8.252 225 HE1 PHE 31 HE1 PHE 31 5.315 0.147 -9.714 226 HE2 PHE 31 HE2 PHE 31 2.133 2.321 -7.890 227 HZ PHE 31 HZ PHE 31 3.108 0.181 -8.621 228 HA PRO 32 HA PRO 32 9.990 7.775 -8.913 229 1HB PRO 32 2HB PRO 32 12.245 6.678 -7.871 230 2HB PRO 32 3HB PRO 32 11.068 7.564 -6.894 231 1HG PRO 32 2HG PRO 32 11.406 4.609 -7.235 232 2HG PRO 32 3HG PRO 32 11.096 5.537 -5.756 233 1HD PRO 32 2HD PRO 32 9.142 4.209 -7.079 234 2HD PRO 32 3HD PRO 32 8.840 5.716 -6.191 235 H ASP 33 H ASP 33 10.046 4.401 -9.637 236 HA ASP 33 HA ASP 33 12.299 4.333 -11.343 237 1HB ASP 33 2HB ASP 33 9.826 2.601 -11.220 238 2HB ASP 33 3HB ASP 33 11.198 2.264 -12.273 239 H LEU 34 H LEU 34 9.285 5.810 -11.691 240 HA LEU 34 HA LEU 34 8.311 6.961 -13.394 241 1HB LEU 34 2HB LEU 34 11.102 6.886 -14.036 242 2HB LEU 34 3HB LEU 34 10.153 6.764 -15.517 243 HG LEU 34 HG LEU 34 8.978 8.851 -14.096 244 1HD1 LEU 34 1HD1 LEU 34 11.199 10.278 -13.974 245 2HD1 LEU 34 2HD1 LEU 34 11.903 8.703 -13.611 246 3HD1 LEU 34 3HD1 LEU 34 10.616 9.348 -12.593 247 1HD2 LEU 34 1HD2 LEU 34 9.312 8.653 -16.531 248 2HD2 LEU 34 2HD2 LEU 34 11.027 8.996 -16.304 249 3HD2 LEU 34 3HD2 LEU 34 9.823 10.220 -15.901 250 H ASP 35 H ASP 35 8.545 3.865 -13.255 251 HA ASP 35 HA ASP 35 7.917 3.160 -16.008 252 1HB ASP 35 2HB ASP 35 7.684 0.833 -15.004 253 2HB ASP 35 3HB ASP 35 9.288 1.557 -14.925 254 H ILE 36 H ILE 36 6.256 4.454 -13.491 255 HA ILE 36 HA ILE 36 3.844 2.914 -13.603 256 HB ILE 36 HB ILE 36 4.333 4.152 -11.590 257 1HG1 ILE 36 2HG1 ILE 36 1.973 5.312 -13.087 258 2HG1 ILE 36 3HG1 ILE 36 1.975 3.842 -12.118 259 1HG2 ILE 36 1HG2 ILE 36 5.205 6.142 -13.331 260 2HG2 ILE 36 2HG2 ILE 36 3.805 6.833 -12.514 261 3HG2 ILE 36 3HG2 ILE 36 5.160 6.216 -11.570 262 1HD1 ILE 36 1HD1 ILE 36 2.436 6.629 -11.082 263 2HD1 ILE 36 2HD1 ILE 36 0.945 5.699 -10.935 264 3HD1 ILE 36 3HD1 ILE 36 2.408 5.154 -10.117 265 H LYS 37 H LYS 37 2.197 3.078 -14.981 266 HA LYS 37 HA LYS 37 2.189 5.342 -16.864 267 1HB LYS 37 2HB LYS 37 1.501 2.449 -17.163 268 2HB LYS 37 3HB LYS 37 0.673 3.624 -18.176 269 1HG LYS 37 2HG LYS 37 2.515 2.836 -19.420 270 2HG LYS 37 3HG LYS 37 2.941 4.459 -18.873 271 1HD LYS 37 2HD LYS 37 3.759 2.551 -16.905 272 2HD LYS 37 3HD LYS 37 4.373 2.059 -18.485 273 1HE LYS 37 2HE LYS 37 4.900 4.715 -18.534 274 2HE LYS 37 3HE LYS 37 5.074 4.377 -16.813 275 1HZ LYS 37 1HZ LYS 37 6.551 2.469 -17.547 276 2HZ LYS 37 2HZ LYS 37 7.181 4.029 -17.718 277 3HZ LYS 37 3HZ LYS 37 6.583 3.206 -19.069 278 H TYR 38 H TYR 38 1.010 6.549 -15.201 279 HA TYR 38 HA TYR 38 -1.852 5.846 -15.182 280 1HB TYR 38 2HB TYR 38 -1.387 5.657 -12.941 281 2HB TYR 38 3HB TYR 38 -0.061 6.813 -13.007 282 HD1 TYR 38 HD1 TYR 38 -3.704 6.427 -12.724 283 HD2 TYR 38 HD2 TYR 38 -0.454 9.172 -12.706 284 HE1 TYR 38 HE1 TYR 38 -5.184 8.165 -11.808 285 HE2 TYR 38 HE2 TYR 38 -1.924 10.917 -11.788 286 HH TYR 38 HH TYR 38 -5.183 10.792 -11.849 287 H ASN 39 H ASN 39 -3.348 7.554 -15.347 288 HA ASN 39 HA ASN 39 -2.477 10.263 -15.712 289 1HB ASN 39 2HB ASN 39 -2.869 8.498 -18.036 290 2HB ASN 39 3HB ASN 39 -3.742 10.025 -18.125 291 1HD2 ASN 39 1HD2 ASN 39 -1.104 8.661 -19.206 292 2HD2 ASN 39 2HD2 ASN 39 0.003 9.987 -19.197 293 H ILE 40 H ILE 40 -4.327 11.703 -16.293 294 HA ILE 40 HA ILE 40 -6.910 10.535 -15.495 295 HB ILE 40 HB ILE 40 -6.867 13.250 -14.684 296 1HG1 ILE 40 2HG1 ILE 40 -4.507 11.647 -13.675 297 2HG1 ILE 40 3HG1 ILE 40 -4.435 13.129 -14.622 298 1HG2 ILE 40 1HG2 ILE 40 -6.826 10.701 -13.074 299 2HG2 ILE 40 2HG2 ILE 40 -7.317 12.287 -12.480 300 3HG2 ILE 40 3HG2 ILE 40 -8.258 11.487 -13.739 301 1HD1 ILE 40 1HD1 ILE 40 -3.975 13.705 -12.377 302 2HD1 ILE 40 2HD1 ILE 40 -5.608 14.273 -12.724 303 3HD1 ILE 40 3HD1 ILE 40 -5.368 12.798 -11.787 304 H PHE 41 H PHE 41 -8.583 11.040 -16.766 305 HA PHE 41 HA PHE 41 -8.311 13.324 -18.601 306 1HB PHE 41 2HB PHE 41 -9.764 11.713 -20.146 307 2HB PHE 41 3HB PHE 41 -8.004 11.674 -20.161 308 HD1 PHE 41 HD1 PHE 41 -11.020 10.000 -18.854 309 HD2 PHE 41 HD2 PHE 41 -6.815 9.759 -19.465 310 HE1 PHE 41 HE1 PHE 41 -11.075 7.612 -18.264 311 HE2 PHE 41 HE2 PHE 41 -6.863 7.370 -18.877 312 HZ PHE 41 HZ PHE 41 -8.995 6.294 -18.276 313 H LEU 42 H LEU 42 -10.274 14.312 -19.259 314 HA LEU 42 HA LEU 42 -12.519 13.764 -17.434 315 1HB LEU 42 2HB LEU 42 -11.179 16.037 -17.523 316 2HB LEU 42 3HB LEU 42 -12.259 16.352 -18.880 317 HG LEU 42 HG LEU 42 -13.010 15.890 -16.000 318 1HD1 LEU 42 1HD1 LEU 42 -12.419 18.120 -16.230 319 2HD1 LEU 42 2HD1 LEU 42 -14.161 18.144 -16.500 320 3HD1 LEU 42 3HD1 LEU 42 -13.056 18.226 -17.871 321 1HD2 LEU 42 1HD2 LEU 42 -14.732 15.988 -18.466 322 2HD2 LEU 42 2HD2 LEU 42 -15.354 16.286 -16.843 323 3HD2 LEU 42 3HD2 LEU 42 -14.650 14.718 -17.244 324 H VAL 43 H VAL 43 -14.351 13.051 -18.293 325 HA VAL 43 HA VAL 43 -14.698 13.239 -21.207 326 HB VAL 43 HB VAL 43 -15.776 11.236 -21.210 327 1HG1 VAL 43 1HG1 VAL 43 -13.503 11.176 -19.856 328 2HG1 VAL 43 2HG1 VAL 43 -14.572 10.626 -18.564 329 3HG1 VAL 43 3HG1 VAL 43 -14.487 9.730 -20.081 330 1HG2 VAL 43 1HG2 VAL 43 -17.011 10.349 -19.182 331 2HG2 VAL 43 2HG2 VAL 43 -16.753 11.933 -18.451 332 3HG2 VAL 43 3HG2 VAL 43 -17.689 11.790 -19.939 333 H ASP 44 H ASP 44 -16.508 14.120 -22.104 334 HA ASP 44 HA ASP 44 -18.588 15.134 -20.295 335 1HB ASP 44 2HB ASP 44 -18.633 17.227 -21.754 336 2HB ASP 44 3HB ASP 44 -17.275 17.071 -20.643 337 H LEU 45 H LEU 45 -20.289 13.943 -20.910 338 HA LEU 45 HA LEU 45 -21.285 14.260 -23.610 339 1HB LEU 45 2HB LEU 45 -19.807 11.984 -22.961 340 2HB LEU 45 3HB LEU 45 -21.491 11.470 -22.897 341 HG LEU 45 HG LEU 45 -20.442 11.050 -25.085 342 1HD1 LEU 45 1HD1 LEU 45 -22.935 11.958 -24.584 343 2HD1 LEU 45 2HD1 LEU 45 -22.370 11.439 -26.171 344 3HD1 LEU 45 3HD1 LEU 45 -22.382 13.153 -25.757 345 1HD2 LEU 45 1HD2 LEU 45 -19.886 12.908 -26.551 346 2HD2 LEU 45 2HD2 LEU 45 -18.899 12.955 -25.090 347 3HD2 LEU 45 3HD2 LEU 45 -20.266 14.056 -25.267 348 H TYR 46 H TYR 46 -23.508 13.662 -23.833 349 HA TYR 46 HA TYR 46 -25.673 13.514 -23.152 350 1HB TYR 46 2HB TYR 46 -24.578 12.210 -20.654 351 2HB TYR 46 3HB TYR 46 -26.218 12.086 -21.281 352 HD1 TYR 46 HD1 TYR 46 -22.976 10.624 -21.246 353 HD2 TYR 46 HD2 TYR 46 -26.497 10.998 -23.605 354 HE1 TYR 46 HE1 TYR 46 -22.329 8.621 -22.518 355 HE2 TYR 46 HE2 TYR 46 -25.860 8.995 -24.883 356 HH TYR 46 HH TYR 46 -24.363 6.885 -24.373 357 H GLY 47 H GLY 47 -24.123 15.864 -22.553 358 1HA GLY 47 2HA GLY 47 -24.462 17.868 -21.478 359 2HA GLY 47 3HA GLY 47 -25.950 17.189 -20.835 360 H GLN 48 H GLN 48 -23.383 15.190 -20.078 361 HA GLN 48 HA GLN 48 -22.885 16.558 -17.524 362 1HB GLN 48 2HB GLN 48 -23.357 13.587 -17.786 363 2HB GLN 48 3HB GLN 48 -23.123 14.497 -16.300 364 1HG GLN 48 2HG GLN 48 -25.247 15.792 -17.155 365 2HG GLN 48 3HG GLN 48 -25.514 14.297 -18.049 366 1HE2 GLN 48 1HE2 GLN 48 -26.152 12.487 -16.980 367 2HE2 GLN 48 2HE2 GLN 48 -26.542 12.453 -15.298 368 H LYS 49 H LYS 49 -20.848 16.321 -16.665 369 HA LYS 49 HA LYS 49 -18.900 14.913 -18.371 370 1HB LYS 49 2HB LYS 49 -17.248 16.592 -17.378 371 2HB LYS 49 3HB LYS 49 -18.398 17.205 -18.558 372 1HG LYS 49 2HG LYS 49 -19.424 17.393 -15.858 373 2HG LYS 49 3HG LYS 49 -17.889 18.244 -16.049 374 1HD LYS 49 2HD LYS 49 -19.811 18.662 -18.231 375 2HD LYS 49 3HD LYS 49 -20.325 19.287 -16.662 376 1HE LYS 49 2HE LYS 49 -18.032 20.377 -16.522 377 2HE LYS 49 3HE LYS 49 -17.855 19.982 -18.230 378 1HZ LYS 49 1HZ LYS 49 -20.168 21.168 -18.366 379 2HZ LYS 49 2HZ LYS 49 -18.734 22.064 -18.370 380 3HZ LYS 49 3HZ LYS 49 -19.637 21.921 -16.947 381 H TYR 50 H TYR 50 -17.660 13.391 -17.464 382 HA TYR 50 HA TYR 50 -17.622 13.208 -14.523 383 1HB TYR 50 2HB TYR 50 -17.494 10.787 -16.301 384 2HB TYR 50 3HB TYR 50 -17.902 10.877 -14.591 385 HD1 TYR 50 HD1 TYR 50 -19.349 9.806 -17.312 386 HD2 TYR 50 HD2 TYR 50 -19.933 13.009 -14.573 387 HE1 TYR 50 HE1 TYR 50 -21.739 9.857 -17.891 388 HE2 TYR 50 HE2 TYR 50 -22.325 13.068 -15.143 389 HH TYR 50 HH TYR 50 -23.837 10.600 -16.986 390 H PHE 51 H PHE 51 -15.727 12.404 -13.565 391 HA PHE 51 HA PHE 51 -13.349 12.699 -15.255 392 1HB PHE 51 2HB PHE 51 -13.751 12.880 -12.269 393 2HB PHE 51 3HB PHE 51 -12.158 12.863 -13.019 394 HD1 PHE 51 HD1 PHE 51 -15.413 14.662 -13.323 395 HD2 PHE 51 HD2 PHE 51 -11.164 14.881 -13.457 396 HE1 PHE 51 HE1 PHE 51 -15.552 17.096 -13.658 397 HE2 PHE 51 HE2 PHE 51 -11.297 17.315 -13.791 398 HZ PHE 51 HZ PHE 51 -13.492 18.426 -13.892 399 H ARG 52 H ARG 52 -12.033 11.039 -15.685 400 HA ARG 52 HA ARG 52 -12.305 8.580 -14.095 401 1HB ARG 52 2HB ARG 52 -12.440 8.897 -17.077 402 2HB ARG 52 3HB ARG 52 -11.867 7.394 -16.367 403 1HG ARG 52 2HG ARG 52 -14.099 6.951 -16.673 404 2HG ARG 52 3HG ARG 52 -14.073 7.509 -14.998 405 1HD ARG 52 2HD ARG 52 -15.433 9.198 -15.485 406 2HD ARG 52 3HD ARG 52 -14.364 9.742 -16.777 407 HE ARG 52 HE ARG 52 -15.790 8.799 -18.288 408 1HH1 ARG 52 2HH1 ARG 52 -16.410 7.422 -15.151 409 2HH1 ARG 52 1HH1 ARG 52 -17.803 6.533 -15.672 410 1HH2 ARG 52 2HH2 ARG 52 -17.622 7.634 -18.986 411 2HH2 ARG 52 1HH2 ARG 52 -18.491 6.654 -17.854 412 H ILE 53 H ILE 53 -10.439 7.402 -13.784 413 HA ILE 53 HA ILE 53 -7.962 8.580 -14.864 414 HB ILE 53 HB ILE 53 -6.883 8.504 -12.840 415 1HG1 ILE 53 2HG1 ILE 53 -8.057 7.126 -10.891 416 2HG1 ILE 53 3HG1 ILE 53 -8.747 6.250 -12.253 417 1HG2 ILE 53 1HG2 ILE 53 -9.552 8.780 -11.565 418 2HG2 ILE 53 2HG2 ILE 53 -8.119 9.796 -11.421 419 3HG2 ILE 53 3HG2 ILE 53 -9.129 9.896 -12.863 420 1HD1 ILE 53 1HD1 ILE 53 -6.903 5.040 -12.337 421 2HD1 ILE 53 2HD1 ILE 53 -6.005 6.491 -12.784 422 3HD1 ILE 53 3HD1 ILE 53 -6.151 6.031 -11.088 423 H LEU 54 H LEU 54 -6.459 7.202 -15.656 424 HA LEU 54 HA LEU 54 -7.068 4.323 -15.486 425 1HB LEU 54 2HB LEU 54 -7.173 5.698 -17.737 426 2HB LEU 54 3HB LEU 54 -5.430 5.441 -17.706 427 HG LEU 54 HG LEU 54 -7.600 3.358 -17.865 428 1HD1 LEU 54 1HD1 LEU 54 -5.665 4.570 -19.732 429 2HD1 LEU 54 2HD1 LEU 54 -7.262 3.885 -20.032 430 3HD1 LEU 54 3HD1 LEU 54 -5.868 2.822 -19.843 431 1HD2 LEU 54 1HD2 LEU 54 -4.672 3.075 -17.253 432 2HD2 LEU 54 2HD2 LEU 54 -5.609 1.771 -17.983 433 3HD2 LEU 54 3HD2 LEU 54 -6.051 2.391 -16.391 434 H PHE 55 H PHE 55 -5.634 3.175 -14.389 435 HA PHE 55 HA PHE 55 -2.842 4.114 -14.307 436 1HB PHE 55 2HB PHE 55 -3.774 4.449 -12.125 437 2HB PHE 55 3HB PHE 55 -4.494 2.843 -12.122 438 HD1 PHE 55 HD1 PHE 55 -1.665 4.800 -11.222 439 HD2 PHE 55 HD2 PHE 55 -2.906 0.841 -12.171 440 HE1 PHE 55 HE1 PHE 55 0.343 3.909 -10.115 441 HE2 PHE 55 HE2 PHE 55 -0.900 -0.057 -11.065 442 HZ PHE 55 HZ PHE 55 0.727 1.478 -10.034 443 H GLN 56 H GLN 56 -1.457 2.763 -15.224 444 HA GLN 56 HA GLN 56 -1.952 -0.123 -15.064 445 1HB GLN 56 2HB GLN 56 -0.914 -0.059 -17.515 446 2HB GLN 56 3HB GLN 56 -2.645 0.057 -17.230 447 1HG GLN 56 2HG GLN 56 -2.516 2.486 -17.391 448 2HG GLN 56 3HG GLN 56 -0.778 2.377 -17.664 449 1HE2 GLN 56 1HE2 GLN 56 -0.385 0.538 -19.460 450 2HE2 GLN 56 2HE2 GLN 56 -1.251 0.840 -20.924 451 H SER 57 H SER 57 -0.075 -1.431 -15.239 452 HA SER 57 HA SER 57 2.445 0.044 -14.831 453 1HB SER 57 2HB SER 57 2.088 -2.689 -13.683 454 2HB SER 57 3HB SER 57 3.049 -1.337 -13.086 455 HG SER 57 HG SER 57 0.934 -0.319 -12.652 456 H LYS 58 H LYS 58 4.404 -1.146 -15.427 457 HA LYS 58 HA LYS 58 3.964 -2.651 -17.895 458 1HB LYS 58 2HB LYS 58 5.641 -0.591 -17.386 459 2HB LYS 58 3HB LYS 58 6.716 -1.946 -17.063 460 1HG LYS 58 2HG LYS 58 7.108 -1.572 -19.289 461 2HG LYS 58 3HG LYS 58 5.858 -2.817 -19.364 462 1HD LYS 58 2HD LYS 58 4.933 -1.346 -20.824 463 2HD LYS 58 3HD LYS 58 4.295 -0.647 -19.334 464 1HE LYS 58 2HE LYS 58 6.032 0.999 -19.289 465 2HE LYS 58 3HE LYS 58 6.877 0.219 -20.625 466 1HZ LYS 58 1HZ LYS 58 4.178 1.441 -20.822 467 2HZ LYS 58 2HZ LYS 58 5.085 0.793 -22.094 468 3HZ LYS 58 3HZ LYS 58 5.612 2.195 -21.307 469 H LYS 59 H LYS 59 4.558 -3.253 -14.672 470 HA LYS 59 HA LYS 59 6.189 -5.629 -15.134 471 1HB LYS 59 2HB LYS 59 5.764 -3.837 -12.931 472 2HB LYS 59 3HB LYS 59 5.384 -5.479 -12.425 473 1HG LYS 59 2HG LYS 59 7.596 -5.489 -11.961 474 2HG LYS 59 3HG LYS 59 7.690 -5.968 -13.657 475 1HD LYS 59 2HD LYS 59 7.929 -3.134 -12.649 476 2HD LYS 59 3HD LYS 59 9.293 -4.177 -13.061 477 1HE LYS 59 2HE LYS 59 7.870 -4.392 -15.322 478 2HE LYS 59 3HE LYS 59 7.358 -2.783 -14.814 479 1HZ LYS 59 1HZ LYS 59 10.025 -2.679 -14.463 480 2HZ LYS 59 2HZ LYS 59 9.213 -2.120 -15.837 481 3HZ LYS 59 3HZ LYS 59 9.905 -3.664 -15.834 482 H LEU 60 H LEU 60 2.988 -4.855 -15.252 483 HA LEU 60 HA LEU 60 1.583 -6.732 -13.836 484 1HB LEU 60 2HB LEU 60 -0.180 -6.424 -15.325 485 2HB LEU 60 3HB LEU 60 0.734 -4.920 -15.415 486 HG LEU 60 HG LEU 60 0.845 -7.160 -17.435 487 1HD1 LEU 60 1HD1 LEU 60 -0.348 -5.606 -18.897 488 2HD1 LEU 60 2HD1 LEU 60 -0.477 -4.453 -17.569 489 3HD1 LEU 60 3HD1 LEU 60 -1.301 -6.009 -17.468 490 1HD2 LEU 60 1HD2 LEU 60 2.879 -6.185 -17.736 491 2HD2 LEU 60 2HD2 LEU 60 2.363 -4.637 -17.065 492 3HD2 LEU 60 3HD2 LEU 60 1.901 -5.084 -18.707 493 H SER 61 H SER 61 1.631 -8.870 -13.732 494 HA SER 61 HA SER 61 2.722 -10.364 -16.025 495 1HB SER 61 2HB SER 61 2.776 -10.961 -13.064 496 2HB SER 61 3HB SER 61 3.189 -12.161 -14.289 497 HG SER 61 HG SER 61 5.106 -11.296 -14.023 498 H GLU 62 H GLU 62 1.701 -12.255 -16.705 499 HA GLU 62 HA GLU 62 -1.138 -12.273 -16.397 500 1HB GLU 62 2HB GLU 62 0.022 -12.891 -18.506 501 2HB GLU 62 3HB GLU 62 0.637 -14.335 -17.713 502 1HG GLU 62 2HG GLU 62 -1.667 -15.106 -17.365 503 2HG GLU 62 3HG GLU 62 -2.257 -13.679 -18.216 504 H LEU 63 H LEU 63 1.506 -14.307 -15.242 505 HA LEU 63 HA LEU 63 -0.218 -16.223 -13.993 506 1HB LEU 63 2HB LEU 63 2.729 -15.677 -13.902 507 2HB LEU 63 3HB LEU 63 1.987 -16.861 -12.828 508 HG LEU 63 HG LEU 63 2.946 -17.999 -14.711 509 1HD1 LEU 63 1HD1 LEU 63 0.260 -18.292 -15.699 510 2HD1 LEU 63 2HD1 LEU 63 0.270 -18.193 -13.939 511 3HD1 LEU 63 3HD1 LEU 63 1.241 -19.416 -14.758 512 1HD2 LEU 63 1HD2 LEU 63 2.448 -15.762 -16.143 513 2HD2 LEU 63 2HD2 LEU 63 1.154 -16.812 -16.721 514 3HD2 LEU 63 3HD2 LEU 63 2.836 -17.327 -16.856 515 H HIS 64 H HIS 64 0.421 -16.702 -11.537 516 HA HIS 64 HA HIS 64 -0.054 -16.095 -9.391 517 1HB HIS 64 2HB HIS 64 1.568 -13.658 -10.158 518 2HB HIS 64 3HB HIS 64 1.240 -14.205 -8.516 519 HD1 HIS 64 HD1 HIS 64 4.076 -13.950 -10.121 520 HD2 HIS 64 HD2 HIS 64 2.026 -17.402 -9.054 521 HE1 HIS 64 HE1 HIS 64 5.813 -15.767 -10.048 522 HA PRO 65 HA PRO 65 -3.506 -13.288 -10.756 523 1HB PRO 65 2HB PRO 65 -5.497 -14.933 -9.918 524 2HB PRO 65 3HB PRO 65 -4.760 -15.055 -11.520 525 1HG PRO 65 2HG PRO 65 -4.221 -16.672 -9.059 526 2HG PRO 65 3HG PRO 65 -4.393 -17.214 -10.739 527 1HD PRO 65 2HD PRO 65 -1.981 -16.896 -9.549 528 2HD PRO 65 3HD PRO 65 -2.234 -16.616 -11.284 529 H GLU 66 H GLU 66 -2.336 -14.655 -7.874 530 HA GLU 66 HA GLU 66 -4.240 -13.792 -6.002 531 1HB GLU 66 2HB GLU 66 -2.065 -15.285 -5.777 532 2HB GLU 66 3HB GLU 66 -1.338 -13.755 -5.307 533 1HG GLU 66 2HG GLU 66 -3.305 -13.580 -3.655 534 2HG GLU 66 3HG GLU 66 -3.500 -15.308 -3.947 535 H GLU 67 H GLU 67 -1.742 -12.091 -7.723 536 HA GLU 67 HA GLU 67 -1.621 -9.810 -6.033 537 1HB GLU 67 2HB GLU 67 -0.432 -8.742 -7.869 538 2HB GLU 67 3HB GLU 67 0.164 -10.378 -7.628 539 1HG GLU 67 2HG GLU 67 -1.620 -10.936 -9.482 540 2HG GLU 67 3HG GLU 67 -1.390 -9.235 -9.884 541 H ARG 68 H ARG 68 -3.513 -10.639 -8.894 542 HA ARG 68 HA ARG 68 -4.651 -8.187 -9.474 543 1HB ARG 68 2HB ARG 68 -5.112 -10.906 -10.174 544 2HB ARG 68 3HB ARG 68 -6.664 -10.192 -9.757 545 1HG ARG 68 2HG ARG 68 -6.714 -9.458 -11.854 546 2HG ARG 68 3HG ARG 68 -5.514 -8.269 -11.345 547 1HD ARG 68 2HD ARG 68 -4.765 -11.010 -12.327 548 2HD ARG 68 3HD ARG 68 -4.967 -9.637 -13.415 549 HE ARG 68 HE ARG 68 -3.156 -9.192 -11.207 550 1HH1 ARG 68 2HH1 ARG 68 -3.513 -10.237 -14.509 551 2HH1 ARG 68 1HH1 ARG 68 -1.857 -9.935 -14.920 552 1HH2 ARG 68 2HH2 ARG 68 -0.974 -8.790 -11.737 553 2HH2 ARG 68 1HH2 ARG 68 -0.414 -9.113 -13.342 554 H LYS 69 H LYS 69 -5.980 -10.707 -7.329 555 HA LYS 69 HA LYS 69 -8.139 -9.118 -6.412 556 1HB LYS 69 2HB LYS 69 -8.350 -10.851 -4.638 557 2HB LYS 69 3HB LYS 69 -8.276 -11.518 -6.264 558 1HG LYS 69 2HG LYS 69 -5.863 -11.980 -5.903 559 2HG LYS 69 3HG LYS 69 -6.058 -11.450 -4.230 560 1HD LYS 69 2HD LYS 69 -6.189 -13.867 -4.354 561 2HD LYS 69 3HD LYS 69 -7.759 -13.202 -3.899 562 1HE LYS 69 2HE LYS 69 -7.898 -15.017 -5.586 563 2HE LYS 69 3HE LYS 69 -8.591 -13.491 -6.133 564 1HZ LYS 69 1HZ LYS 69 -7.236 -14.533 -7.847 565 2HZ LYS 69 2HZ LYS 69 -5.885 -14.497 -6.831 566 3HZ LYS 69 3HZ LYS 69 -6.574 -13.050 -7.374 567 H LYS 70 H LYS 70 -4.875 -9.688 -5.226 568 HA LYS 70 HA LYS 70 -5.110 -8.526 -2.696 569 1HB LYS 70 2HB LYS 70 -3.144 -9.777 -3.226 570 2HB LYS 70 3HB LYS 70 -2.768 -8.730 -4.587 571 1HG LYS 70 2HG LYS 70 -1.947 -7.055 -3.251 572 2HG LYS 70 3HG LYS 70 -2.897 -7.559 -1.851 573 1HD LYS 70 2HD LYS 70 -0.680 -9.252 -2.971 574 2HD LYS 70 3HD LYS 70 -0.380 -7.988 -1.776 575 1HE LYS 70 2HE LYS 70 -1.543 -9.099 -0.118 576 2HE LYS 70 3HE LYS 70 -2.503 -10.027 -1.269 577 1HZ LYS 70 1HZ LYS 70 0.171 -10.711 -1.655 578 2HZ LYS 70 2HZ LYS 70 -1.072 -11.681 -1.043 579 3HZ LYS 70 3HZ LYS 70 -0.115 -10.767 0.011 580 H VAL 71 H VAL 71 -4.004 -7.035 -5.740 581 HA VAL 71 HA VAL 71 -3.796 -4.421 -4.670 582 HB VAL 71 HB VAL 71 -3.570 -3.652 -6.950 583 1HG1 VAL 71 1HG1 VAL 71 -1.873 -5.347 -5.722 584 2HG1 VAL 71 2HG1 VAL 71 -2.173 -6.233 -7.218 585 3HG1 VAL 71 3HG1 VAL 71 -1.543 -4.587 -7.278 586 1HG2 VAL 71 1HG2 VAL 71 -3.909 -5.146 -8.859 587 2HG2 VAL 71 2HG2 VAL 71 -4.479 -6.411 -7.770 588 3HG2 VAL 71 3HG2 VAL 71 -5.403 -4.920 -7.948 589 H ARG 72 H ARG 72 -6.406 -6.212 -6.171 590 HA ARG 72 HA ARG 72 -8.138 -4.100 -6.768 591 1HB ARG 72 2HB ARG 72 -8.471 -7.013 -6.231 592 2HB ARG 72 3HB ARG 72 -9.911 -6.003 -6.225 593 1HG ARG 72 2HG ARG 72 -7.947 -6.173 -8.500 594 2HG ARG 72 3HG ARG 72 -9.466 -7.067 -8.405 595 1HD ARG 72 2HD ARG 72 -9.112 -4.075 -8.512 596 2HD ARG 72 3HD ARG 72 -9.793 -5.111 -9.765 597 HE ARG 72 HE ARG 72 -11.147 -4.067 -7.479 598 1HH1 ARG 72 2HH1 ARG 72 -11.023 -6.753 -9.690 599 2HH1 ARG 72 1HH1 ARG 72 -12.688 -7.180 -9.469 600 1HH2 ARG 72 2HH2 ARG 72 -13.339 -4.619 -7.179 601 2HH2 ARG 72 1HH2 ARG 72 -14.005 -5.965 -8.042 602 H GLU 73 H GLU 73 -7.928 -6.097 -3.827 603 HA GLU 73 HA GLU 73 -9.938 -4.627 -2.440 604 1HB GLU 73 2HB GLU 73 -9.217 -5.902 -0.470 605 2HB GLU 73 3HB GLU 73 -9.447 -6.946 -1.865 606 1HG GLU 73 2HG GLU 73 -7.038 -6.990 -2.239 607 2HG GLU 73 3HG GLU 73 -6.802 -5.932 -0.849 608 H LYS 74 H LYS 74 -6.424 -4.498 -2.573 609 HA LYS 74 HA LYS 74 -5.975 -2.769 -0.417 610 1HB LYS 74 2HB LYS 74 -4.368 -4.070 -2.149 611 2HB LYS 74 3HB LYS 74 -4.256 -2.444 -2.810 612 1HG LYS 74 2HG LYS 74 -3.601 -3.286 0.006 613 2HG LYS 74 3HG LYS 74 -2.456 -2.827 -1.257 614 1HD LYS 74 2HD LYS 74 -4.584 -1.012 -0.125 615 2HD LYS 74 3HD LYS 74 -2.894 -1.018 0.385 616 1HE LYS 74 2HE LYS 74 -2.927 -0.849 -2.438 617 2HE LYS 74 3HE LYS 74 -4.099 0.319 -1.830 618 1HZ LYS 74 1HZ LYS 74 -1.710 0.397 -0.302 619 2HZ LYS 74 2HZ LYS 74 -2.468 1.640 -1.162 620 3HZ LYS 74 3HZ LYS 74 -1.365 0.622 -1.943 621 H PHE 75 H PHE 75 -6.354 -2.010 -3.879 622 HA PHE 75 HA PHE 75 -6.305 0.806 -3.479 623 1HB PHE 75 2HB PHE 75 -6.207 0.876 -5.721 624 2HB PHE 75 3HB PHE 75 -6.156 -0.883 -5.669 625 HD1 PHE 75 HD1 PHE 75 -8.242 2.050 -6.301 626 HD2 PHE 75 HD2 PHE 75 -8.100 -2.203 -6.216 627 HE1 PHE 75 HE1 PHE 75 -10.357 1.959 -7.555 628 HE2 PHE 75 HE2 PHE 75 -10.215 -2.301 -7.470 629 HZ PHE 75 HZ PHE 75 -11.346 -0.219 -8.142 630 H ASP 76 H ASP 76 -8.844 -1.609 -3.644 631 HA ASP 76 HA ASP 76 -11.051 0.098 -3.919 632 1HB ASP 76 2HB ASP 76 -11.433 -2.211 -4.261 633 2HB ASP 76 3HB ASP 76 -10.731 -2.640 -2.703 634 H GLU 77 H GLU 77 -9.543 -1.241 -0.987 635 HA GLU 77 HA GLU 77 -11.264 0.142 0.804 636 1HB GLU 77 2HB GLU 77 -8.615 -1.249 1.155 637 2HB GLU 77 3HB GLU 77 -9.433 -0.450 2.490 638 1HG GLU 77 2HG GLU 77 -11.444 -1.910 1.886 639 2HG GLU 77 3HG GLU 77 -10.302 -2.853 0.930 640 H ASN 78 H ASN 78 -7.909 0.705 -0.237 641 HA ASN 78 HA ASN 78 -7.392 2.983 1.265 642 1HB ASN 78 2HB ASN 78 -5.683 1.748 -0.028 643 2HB ASN 78 3HB ASN 78 -6.383 2.367 -1.521 644 1HD2 ASN 78 1HD2 ASN 78 -5.120 3.513 1.587 645 2HD2 ASN 78 2HD2 ASN 78 -4.321 4.903 0.943 646 H SER 79 H SER 79 -9.177 2.604 -1.720 647 HA SER 79 HA SER 79 -9.331 5.417 -2.277 648 1HB SER 79 2HB SER 79 -10.709 2.988 -3.415 649 2HB SER 79 3HB SER 79 -11.141 4.623 -3.917 650 HG SER 79 HG SER 79 -8.459 3.756 -3.955 651 H ARG 80 H ARG 80 -11.516 2.982 -0.913 652 HA ARG 80 HA ARG 80 -13.657 4.838 -0.504 653 1HB ARG 80 2HB ARG 80 -14.868 3.049 0.334 654 2HB ARG 80 3HB ARG 80 -13.740 2.247 -0.751 655 1HG ARG 80 2HG ARG 80 -13.343 0.908 0.991 656 2HG ARG 80 3HG ARG 80 -12.342 2.237 1.579 657 1HD ARG 80 2HD ARG 80 -13.853 2.856 3.164 658 2HD ARG 80 3HD ARG 80 -15.236 2.341 2.200 659 HE ARG 80 HE ARG 80 -14.016 0.011 2.858 660 1HH1 ARG 80 2HH1 ARG 80 -15.148 2.744 4.693 661 2HH1 ARG 80 1HH1 ARG 80 -15.509 1.810 6.107 662 1HH2 ARG 80 2HH2 ARG 80 -14.487 -1.229 4.713 663 2HH2 ARG 80 1HH2 ARG 80 -15.131 -0.449 6.118 664 H MET 81 H MET 81 -10.744 4.351 1.053 665 HA MET 81 HA MET 81 -11.147 4.447 3.737 666 1HB MET 81 2HB MET 81 -9.128 5.671 1.935 667 2HB MET 81 3HB MET 81 -9.173 6.254 3.593 668 1HG MET 81 2HG MET 81 -9.015 3.334 2.933 669 2HG MET 81 3HG MET 81 -7.582 4.351 3.065 670 1HE MET 81 1HE MET 81 -10.412 2.450 5.350 671 2HE MET 81 2HE MET 81 -9.047 1.772 4.462 672 3HE MET 81 3HE MET 81 -8.984 1.891 6.221 673 H GLN 82 H GLN 82 -11.307 6.156 5.299 674 HA GLN 82 HA GLN 82 -13.352 8.021 4.694 675 1HB GLN 82 2HB GLN 82 -11.524 7.854 7.096 676 2HB GLN 82 3HB GLN 82 -12.966 8.856 6.993 677 1HG GLN 82 2HG GLN 82 -14.264 6.735 6.582 678 2HG GLN 82 3HG GLN 82 -12.798 5.858 7.019 679 1HE2 GLN 82 1HE2 GLN 82 -12.613 5.307 9.062 680 2HE2 GLN 82 2HE2 GLN 82 -13.409 6.059 10.398 681 H TYR 83 H TYR 83 -13.273 10.308 4.715 682 HA TYR 83 HA TYR 83 -11.331 11.482 3.150 683 1HB TYR 83 2HB TYR 83 -13.681 12.319 4.432 684 2HB TYR 83 3HB TYR 83 -12.430 13.422 4.993 685 HD1 TYR 83 HD1 TYR 83 -10.706 13.553 2.574 686 HD2 TYR 83 HD2 TYR 83 -14.942 13.636 2.966 687 HE1 TYR 83 HE1 TYR 83 -10.870 14.814 0.469 688 HE2 TYR 83 HE2 TYR 83 -15.117 14.896 0.861 689 HH TYR 83 HH TYR 83 -12.747 15.108 -1.359 690 H SER 84 H SER 84 -11.435 11.123 6.639 691 HA SER 84 HA SER 84 -9.388 12.897 7.336 692 1HB SER 84 2HB SER 84 -9.799 10.293 8.783 693 2HB SER 84 3HB SER 84 -9.396 11.877 9.446 694 HG SER 84 HG SER 84 -11.520 11.624 9.875 695 H GLU 85 H GLU 85 -9.214 9.391 6.717 696 HA GLU 85 HA GLU 85 -6.399 9.234 6.952 697 1HB GLU 85 2HB GLU 85 -8.391 7.401 6.816 698 2HB GLU 85 3HB GLU 85 -7.740 7.280 5.188 699 1HG GLU 85 2HG GLU 85 -5.902 6.224 5.874 700 2HG GLU 85 3HG GLU 85 -5.687 7.298 7.255 701 H LEU 86 H LEU 86 -8.558 9.858 4.256 702 HA LEU 86 HA LEU 86 -6.640 9.572 2.194 703 1HB LEU 86 2HB LEU 86 -9.345 9.976 2.313 704 2HB LEU 86 3HB LEU 86 -8.762 11.528 1.715 705 HG LEU 86 HG LEU 86 -9.388 10.141 -0.145 706 1HD1 LEU 86 1HD1 LEU 86 -7.177 9.988 -1.322 707 2HD1 LEU 86 2HD1 LEU 86 -6.415 10.458 0.197 708 3HD1 LEU 86 3HD1 LEU 86 -7.539 11.557 -0.603 709 1HD2 LEU 86 1HD2 LEU 86 -9.259 7.932 0.089 710 2HD2 LEU 86 2HD2 LEU 86 -8.123 8.072 1.432 711 3HD2 LEU 86 3HD2 LEU 86 -7.531 8.079 -0.230 712 H MET 87 H MET 87 -7.668 12.298 4.178 713 HA MET 87 HA MET 87 -5.997 14.169 2.744 714 1HB MET 87 2HB MET 87 -8.108 14.305 4.723 715 2HB MET 87 3HB MET 87 -6.753 15.332 5.173 716 1HG MET 87 2HG MET 87 -8.441 16.532 3.874 717 2HG MET 87 3HG MET 87 -6.877 16.490 3.063 718 1HE MET 87 1HE MET 87 -6.622 14.843 0.495 719 2HE MET 87 2HE MET 87 -7.847 15.845 -0.283 720 3HE MET 87 3HE MET 87 -6.793 16.539 0.950 721 H THR 88 H THR 88 -5.784 12.157 5.569 722 HA THR 88 HA THR 88 -3.615 13.489 6.827 723 HB THR 88 HB THR 88 -4.593 10.640 7.055 724 HG1 THR 88 HG1 THR 88 -4.793 12.809 8.891 725 1HG2 THR 88 1HG2 THR 88 -2.512 12.089 8.697 726 2HG2 THR 88 2HG2 THR 88 -2.241 10.695 7.652 727 3HG2 THR 88 3HG2 THR 88 -3.220 10.527 9.108 728 H LYS 89 H LYS 89 -3.776 10.622 4.725 729 HA LYS 89 HA LYS 89 -0.970 10.213 4.647 730 1HB LYS 89 2HB LYS 89 -3.292 8.920 3.645 731 2HB LYS 89 3HB LYS 89 -2.218 9.198 2.280 732 1HG LYS 89 2HG LYS 89 -1.585 7.107 3.048 733 2HG LYS 89 3HG LYS 89 -0.391 8.183 3.778 734 1HD LYS 89 2HD LYS 89 -2.889 7.520 5.276 735 2HD LYS 89 3HD LYS 89 -1.571 6.347 5.220 736 1HE LYS 89 2HE LYS 89 -0.047 8.182 6.014 737 2HE LYS 89 3HE LYS 89 -1.485 9.169 6.273 738 1HZ LYS 89 1HZ LYS 89 -0.562 7.858 8.238 739 2HZ LYS 89 2HZ LYS 89 -1.229 6.493 7.496 740 3HZ LYS 89 3HZ LYS 89 -2.229 7.776 7.960 741 H TYR 90 H TYR 90 -2.913 12.570 3.258 742 HA TYR 90 HA TYR 90 -1.119 12.995 0.982 743 1HB TYR 90 2HB TYR 90 -3.369 13.141 0.294 744 2HB TYR 90 3HB TYR 90 -3.831 14.081 1.709 745 HD1 TYR 90 HD1 TYR 90 -4.684 16.080 0.881 746 HD2 TYR 90 HD2 TYR 90 -1.019 14.591 -0.685 747 HE1 TYR 90 HE1 TYR 90 -4.394 18.158 -0.401 748 HE2 TYR 90 HE2 TYR 90 -0.719 16.665 -1.971 749 HH TYR 90 HH TYR 90 -2.461 19.453 -1.396 750 H HIS 91 H HIS 91 -2.395 14.669 3.834 751 HA HIS 91 HA HIS 91 -0.510 16.860 3.440 752 1HB HIS 91 2HB HIS 91 -2.714 17.559 4.057 753 2HB HIS 91 3HB HIS 91 -2.762 16.426 5.405 754 HD1 HIS 91 HD1 HIS 91 -1.800 17.197 7.610 755 HD2 HIS 91 HD2 HIS 91 -1.044 19.844 4.498 756 HE1 HIS 91 HE1 HIS 91 -0.860 19.261 8.696 757 H ASP 92 H ASP 92 -1.439 14.727 6.148 758 HA ASP 92 HA ASP 92 0.717 15.311 7.805 759 1HB ASP 92 2HB ASP 92 -1.468 13.550 7.850 760 2HB ASP 92 3HB ASP 92 -0.044 12.532 8.045 761 H LEU 93 H LEU 93 0.547 13.314 4.981 762 HA LEU 93 HA LEU 93 3.171 12.140 5.532 763 1HB LEU 93 2HB LEU 93 0.848 11.247 4.193 764 2HB LEU 93 3HB LEU 93 2.122 11.389 2.983 765 HG LEU 93 HG LEU 93 2.016 9.129 3.857 766 1HD1 LEU 93 1HD1 LEU 93 4.197 10.087 3.217 767 2HD1 LEU 93 2HD1 LEU 93 4.333 8.852 4.468 768 3HD1 LEU 93 3HD1 LEU 93 4.458 10.558 4.897 769 1HD2 LEU 93 1HD2 LEU 93 1.080 9.816 6.087 770 2HD2 LEU 93 2HD2 LEU 93 2.722 10.258 6.557 771 3HD2 LEU 93 3HD2 LEU 93 2.342 8.585 6.144 772 H LYS 94 H LYS 94 1.719 14.690 3.807 773 HA LYS 94 HA LYS 94 3.324 14.953 1.557 774 1HB LYS 94 2HB LYS 94 1.996 16.726 1.304 775 2HB LYS 94 3HB LYS 94 1.434 16.547 2.961 776 1HG LYS 94 2HG LYS 94 4.031 17.801 2.872 777 2HG LYS 94 3HG LYS 94 2.854 18.679 1.892 778 1HD LYS 94 2HD LYS 94 2.289 19.646 3.842 779 2HD LYS 94 3HD LYS 94 1.398 18.149 4.127 780 1HE LYS 94 2HE LYS 94 3.129 17.259 5.461 781 2HE LYS 94 3HE LYS 94 4.276 18.488 4.928 782 1HZ LYS 94 1HZ LYS 94 3.581 19.894 6.488 783 2HZ LYS 94 2HZ LYS 94 2.803 18.576 7.208 784 3HZ LYS 94 3HZ LYS 94 1.945 19.601 6.172 785 H LYS 95 H LYS 95 4.038 15.582 4.901 786 HA LYS 95 HA LYS 95 6.256 17.273 4.610 787 1HB LYS 95 2HB LYS 95 4.918 16.033 6.723 788 2HB LYS 95 3HB LYS 95 6.556 15.398 6.807 789 1HG LYS 95 2HG LYS 95 5.965 18.337 6.617 790 2HG LYS 95 3HG LYS 95 6.085 17.478 8.154 791 1HD LYS 95 2HD LYS 95 8.311 17.521 8.081 792 2HD LYS 95 3HD LYS 95 8.327 16.856 6.446 793 1HE LYS 95 2HE LYS 95 7.650 19.278 5.758 794 2HE LYS 95 3HE LYS 95 8.303 19.710 7.337 795 1HZ LYS 95 1HZ LYS 95 10.107 19.921 5.928 796 2HZ LYS 95 2HZ LYS 95 9.705 18.556 5.014 797 3HZ LYS 95 3HZ LYS 95 10.336 18.374 6.573 798 H GLN 96 H GLN 96 5.883 13.861 4.121 799 HA GLN 96 HA GLN 96 8.786 13.616 3.684 800 1HB GLN 96 2HB GLN 96 6.878 11.342 4.219 801 2HB GLN 96 3HB GLN 96 8.635 11.290 4.219 802 1HG GLN 96 2HG GLN 96 7.002 12.885 6.176 803 2HG GLN 96 3HG GLN 96 7.591 11.251 6.475 804 1HE2 GLN 96 1HE2 GLN 96 8.407 12.858 8.288 805 2HE2 GLN 96 2HE2 GLN 96 10.034 13.394 8.061 806 H GLY 97 H GLY 97 6.780 14.617 1.792 807 1HA GLY 97 2HA GLY 97 7.654 13.324 -0.532 808 2HA GLY 97 3HA GLY 97 6.087 12.653 -0.107 809 H LYS 98 H LYS 98 5.175 13.496 -2.018 810 HA LYS 98 HA LYS 98 3.996 16.052 -1.723 811 1HB LYS 98 2HB LYS 98 4.999 17.207 -3.616 812 2HB LYS 98 3HB LYS 98 6.233 16.801 -2.430 813 1HG LYS 98 2HG LYS 98 5.741 14.937 -4.700 814 2HG LYS 98 3HG LYS 98 6.649 16.425 -4.982 815 1HD LYS 98 2HD LYS 98 8.125 15.762 -3.055 816 2HD LYS 98 3HD LYS 98 7.308 14.197 -3.062 817 1HE LYS 98 2HE LYS 98 8.948 15.424 -5.271 818 2HE LYS 98 3HE LYS 98 9.332 13.990 -4.321 819 1HZ LYS 98 1HZ LYS 98 8.514 13.209 -6.358 820 2HZ LYS 98 2HZ LYS 98 7.226 14.305 -6.376 821 3HZ LYS 98 3HZ LYS 98 7.225 13.018 -5.279 822 H ILE 99 H ILE 99 3.235 16.681 -4.239 823 HA ILE 99 HA ILE 99 2.181 14.213 -5.428 824 HB ILE 99 HB ILE 99 -0.043 15.161 -5.647 825 1HG1 ILE 99 2HG1 ILE 99 0.834 17.449 -3.889 826 2HG1 ILE 99 3HG1 ILE 99 0.836 17.564 -5.645 827 1HG2 ILE 99 1HG2 ILE 99 -0.772 14.792 -3.462 828 2HG2 ILE 99 2HG2 ILE 99 0.753 13.912 -3.552 829 3HG2 ILE 99 3HG2 ILE 99 0.689 15.486 -2.758 830 1HD1 ILE 99 1HD1 ILE 99 -1.405 17.590 -3.746 831 2HD1 ILE 99 2HD1 ILE 99 -1.223 18.389 -5.308 832 3HD1 ILE 99 3HD1 ILE 99 -1.668 16.684 -5.236 833 H LYS 100 H LYS 100 1.072 14.708 -7.570 834 HA LYS 100 HA LYS 100 2.480 16.892 -8.959 835 1HB LYS 100 2HB LYS 100 1.890 14.144 -10.074 836 2HB LYS 100 3HB LYS 100 2.709 15.452 -10.918 837 1HG LYS 100 2HG LYS 100 3.837 14.483 -8.340 838 2HG LYS 100 3HG LYS 100 4.058 13.508 -9.795 839 1HD LYS 100 2HD LYS 100 4.754 16.435 -9.633 840 2HD LYS 100 3HD LYS 100 5.908 15.141 -9.302 841 1HE LYS 100 2HE LYS 100 5.252 14.239 -11.614 842 2HE LYS 100 3HE LYS 100 4.541 15.830 -11.884 843 1HZ LYS 100 1HZ LYS 100 7.317 15.627 -10.937 844 2HZ LYS 100 2HZ LYS 100 6.583 16.848 -11.849 845 3HZ LYS 100 3HZ LYS 100 6.980 15.372 -12.575 846 H ASP 101 H ASP 101 1.345 18.013 -10.511 847 HA ASP 101 HA ASP 101 -1.521 17.358 -10.724 848 1HB ASP 101 2HB ASP 101 -1.875 19.815 -11.066 849 2HB ASP 101 3HB ASP 101 -1.273 19.393 -9.465 850 H ARG 102 H ARG 102 -0.782 16.019 -12.565 851 HA ARG 102 HA ARG 102 0.287 17.284 -14.893 852 1HB ARG 102 2HB ARG 102 -0.668 14.579 -14.157 853 2HB ARG 102 3HB ARG 102 -0.762 14.994 -15.864 854 1HG ARG 102 2HG ARG 102 1.678 15.677 -15.674 855 2HG ARG 102 3HG ARG 102 1.668 14.854 -14.113 856 1HD ARG 102 2HD ARG 102 2.358 13.142 -15.464 857 2HD ARG 102 3HD ARG 102 0.613 12.902 -15.527 858 HE ARG 102 HE ARG 102 0.704 13.346 -17.757 859 1HH1 ARG 102 2HH1 ARG 102 3.505 14.751 -16.240 860 2HH1 ARG 102 1HH1 ARG 102 4.213 15.273 -17.733 861 1HH2 ARG 102 2HH2 ARG 102 1.625 14.029 -19.729 862 2HH2 ARG 102 1HH2 ARG 102 3.142 14.863 -19.717 863 HA PRO 103 HA PRO 103 -3.306 18.781 -16.916 864 1HB PRO 103 2HB PRO 103 -2.848 18.112 -19.507 865 2HB PRO 103 3HB PRO 103 -1.953 19.387 -18.672 866 1HG PRO 103 2HG PRO 103 -1.156 16.551 -19.206 867 2HG PRO 103 3HG PRO 103 -0.190 18.031 -19.350 868 1HD PRO 103 2HD PRO 103 -0.004 16.372 -17.219 869 2HD PRO 103 3HD PRO 103 0.232 18.126 -17.086 870 H VAL 104 H VAL 104 -5.330 18.198 -17.670 871 HA VAL 104 HA VAL 104 -5.931 15.346 -17.540 872 HB VAL 104 HB VAL 104 -7.289 16.973 -16.230 873 1HG1 VAL 104 1HG1 VAL 104 -7.249 18.766 -17.957 874 2HG1 VAL 104 2HG1 VAL 104 -8.393 17.814 -18.906 875 3HG1 VAL 104 3HG1 VAL 104 -8.857 18.425 -17.317 876 1HG2 VAL 104 1HG2 VAL 104 -9.339 15.872 -16.589 877 2HG2 VAL 104 2HG2 VAL 104 -8.993 15.608 -18.298 878 3HG2 VAL 104 3HG2 VAL 104 -8.101 14.712 -17.069 879 H LYS 105 H LYS 105 -6.630 14.142 -19.218 880 HA LYS 105 HA LYS 105 -6.494 15.347 -21.869 881 1HB LYS 105 2HB LYS 105 -6.315 12.586 -20.776 882 2HB LYS 105 3HB LYS 105 -6.922 12.766 -22.416 883 1HG LYS 105 2HG LYS 105 -4.313 13.920 -21.461 884 2HG LYS 105 3HG LYS 105 -4.472 12.347 -22.247 885 1HD LYS 105 2HD LYS 105 -5.382 13.408 -24.235 886 2HD LYS 105 3HD LYS 105 -5.313 14.986 -23.448 887 1HE LYS 105 2HE LYS 105 -3.402 14.930 -24.791 888 2HE LYS 105 3HE LYS 105 -2.808 14.534 -23.179 889 1HZ LYS 105 1HZ LYS 105 -1.975 13.110 -25.065 890 2HZ LYS 105 2HZ LYS 105 -3.530 12.451 -25.155 891 3HZ LYS 105 3HZ LYS 105 -2.618 12.277 -23.740 892 H GLU 106 H GLU 106 -8.165 15.379 -23.335 893 HA GLU 106 HA GLU 106 -10.819 15.322 -22.220 894 1HB GLU 106 2HB GLU 106 -9.614 16.145 -24.826 895 2HB GLU 106 3HB GLU 106 -11.341 15.822 -24.762 896 1HG GLU 106 2HG GLU 106 -11.681 17.525 -23.137 897 2HG GLU 106 3HG GLU 106 -9.946 17.738 -22.915 898 H VAL 107 H VAL 107 -12.425 13.873 -22.594 899 HA VAL 107 HA VAL 107 -11.668 11.432 -24.056 900 HB VAL 107 HB VAL 107 -13.398 11.900 -21.663 901 1HG1 VAL 107 1HG1 VAL 107 -13.749 9.738 -23.710 902 2HG1 VAL 107 2HG1 VAL 107 -14.170 9.473 -22.016 903 3HG1 VAL 107 3HG1 VAL 107 -14.973 10.745 -22.938 904 1HG2 VAL 107 1HG2 VAL 107 -12.062 9.445 -21.553 905 2HG2 VAL 107 2HG2 VAL 107 -10.921 10.572 -22.287 906 3HG2 VAL 107 3HG2 VAL 107 -11.632 10.936 -20.714 907 H HIS 108 H HIS 108 -12.964 10.612 -25.637 908 HA HIS 108 HA HIS 108 -15.348 12.195 -26.345 909 1HB HIS 108 2HB HIS 108 -13.059 11.956 -27.849 910 2HB HIS 108 3HB HIS 108 -14.090 10.705 -28.537 911 HD1 HIS 108 HD1 HIS 108 -15.024 11.670 -30.614 912 HD2 HIS 108 HD2 HIS 108 -15.095 14.390 -27.473 913 HE1 HIS 108 HE1 HIS 108 -16.211 13.699 -31.508 914 H GLU 109 H GLU 109 -16.743 10.850 -27.988 915 HA GLU 109 HA GLU 109 -17.522 8.465 -26.565 916 1HB GLU 109 2HB GLU 109 -18.752 9.296 -29.164 917 2HB GLU 109 3HB GLU 109 -19.508 8.551 -27.763 918 1HG GLU 109 2HG GLU 109 -19.131 10.706 -26.537 919 2HG GLU 109 3HG GLU 109 -18.638 11.410 -28.076 920 H GLU 110 H GLU 110 -18.109 6.473 -27.859 921 HA GLU 110 HA GLU 110 -17.413 4.659 -29.043 922 1HB GLU 110 2HB GLU 110 -16.629 6.877 -30.928 923 2HB GLU 110 3HB GLU 110 -16.415 5.180 -31.335 924 1HG GLU 110 2HG GLU 110 -18.982 5.116 -30.613 925 2HG GLU 110 3HG GLU 110 -18.881 6.792 -31.148 926 H TYR 111 H TYR 111 -15.741 5.307 -26.998 927 HA TYR 111 HA TYR 111 -13.352 4.001 -27.708 928 1HB TYR 111 2HB TYR 111 -13.131 6.475 -28.618 929 2HB TYR 111 3HB TYR 111 -12.733 6.822 -26.939 930 HD1 TYR 111 HD1 TYR 111 -11.863 4.046 -29.294 931 HD2 TYR 111 HD2 TYR 111 -10.463 7.075 -26.655 932 HE1 TYR 111 HE1 TYR 111 -9.549 3.321 -29.701 933 HE2 TYR 111 HE2 TYR 111 -8.144 6.359 -27.055 934 HH TYR 111 HH TYR 111 -6.807 5.094 -28.367 935 H ASP 112 H ASP 112 -14.645 3.065 -25.827 936 HA ASP 112 HA ASP 112 -14.544 4.313 -23.286 937 1HB ASP 112 2HB ASP 112 -14.948 1.451 -24.149 938 2HB ASP 112 3HB ASP 112 -14.958 1.933 -22.455 939 H LEU 113 H LEU 113 -13.272 3.675 -21.444 940 HA LEU 113 HA LEU 113 -10.493 3.436 -22.085 941 1HB LEU 113 2HB LEU 113 -11.963 3.483 -19.457 942 2HB LEU 113 3HB LEU 113 -10.207 3.445 -19.600 943 HG LEU 113 HG LEU 113 -10.818 5.688 -19.152 944 1HD1 LEU 113 1HD1 LEU 113 -9.087 5.416 -20.848 945 2HD1 LEU 113 2HD1 LEU 113 -10.049 6.863 -21.147 946 3HD1 LEU 113 3HD1 LEU 113 -10.316 5.411 -22.112 947 1HD2 LEU 113 1HD2 LEU 113 -13.225 5.308 -19.916 948 2HD2 LEU 113 2HD2 LEU 113 -12.652 5.730 -21.529 949 3HD2 LEU 113 3HD2 LEU 113 -12.521 6.897 -20.213 950 H TRP 114 H TRP 114 -11.686 1.673 -19.338 951 HA TRP 114 HA TRP 114 -10.364 -0.726 -20.315 952 1HB TRP 114 2HB TRP 114 -11.248 0.298 -17.680 953 2HB TRP 114 3HB TRP 114 -11.302 -1.450 -17.888 954 HD1 TRP 114 HD1 TRP 114 -9.016 1.185 -16.814 955 HE1 TRP 114 HE1 TRP 114 -6.581 0.352 -16.787 956 HE3 TRP 114 HE3 TRP 114 -9.599 -3.115 -19.517 957 HZ2 TRP 114 HZ2 TRP 114 -5.102 -1.838 -17.781 958 HZ3 TRP 114 HZ3 TRP 114 -7.624 -4.522 -19.935 959 HH2 TRP 114 HH2 TRP 114 -5.423 -3.895 -19.085 960 H GLU 115 H GLU 115 -13.563 0.513 -19.827 961 HA GLU 115 HA GLU 115 -15.616 -0.298 -20.386 962 1HB GLU 115 2HB GLU 115 -14.307 -2.685 -21.658 963 2HB GLU 115 3HB GLU 115 -15.808 -1.888 -22.105 964 1HG GLU 115 2HG GLU 115 -14.078 0.131 -22.491 965 2HG GLU 115 3HG GLU 115 -13.031 -1.245 -22.832 966 H ASP 116 H ASP 116 -15.036 -0.739 -17.869 967 HA ASP 116 HA ASP 116 -16.600 -2.925 -17.116 968 1HB ASP 116 2HB ASP 116 -13.766 -3.531 -17.512 969 2HB ASP 116 3HB ASP 116 -14.339 -3.941 -15.897 970 HA PRO 117 HA PRO 117 -14.501 -1.152 -13.157 971 1HB PRO 117 2HB PRO 117 -12.375 0.504 -13.484 972 2HB PRO 117 3HB PRO 117 -12.213 -1.250 -13.340 973 1HG PRO 117 2HG PRO 117 -12.205 0.457 -15.799 974 2HG PRO 117 3HG PRO 117 -11.158 -0.912 -15.385 975 1HD PRO 117 2HD PRO 117 -13.268 -1.148 -17.065 976 2HD PRO 117 3HD PRO 117 -12.737 -2.471 -16.007 977 H ILE 118 H ILE 118 -13.647 1.358 -15.547 978 HA ILE 118 HA ILE 118 -15.114 3.351 -14.069 979 HB ILE 118 HB ILE 118 -14.204 4.946 -15.499 980 1HG1 ILE 118 2HG1 ILE 118 -15.031 3.920 -17.598 981 2HG1 ILE 118 3HG1 ILE 118 -13.379 4.509 -17.746 982 1HG2 ILE 118 1HG2 ILE 118 -11.841 4.378 -15.739 983 2HG2 ILE 118 2HG2 ILE 118 -12.479 3.814 -14.195 984 3HG2 ILE 118 3HG2 ILE 118 -12.224 2.671 -15.514 985 1HD1 ILE 118 1HD1 ILE 118 -14.240 1.652 -17.375 986 2HD1 ILE 118 2HD1 ILE 118 -13.586 2.384 -18.841 987 3HD1 ILE 118 3HD1 ILE 118 -12.567 2.207 -17.412 988 H TRP 119 H TRP 119 -15.880 1.089 -16.453 989 HA TRP 119 HA TRP 119 -17.797 2.540 -17.951 990 1HB TRP 119 2HB TRP 119 -16.684 0.283 -18.509 991 2HB TRP 119 3HB TRP 119 -17.920 -0.430 -17.475 992 HD1 TRP 119 HD1 TRP 119 -18.811 2.513 -19.739 993 HE1 TRP 119 HE1 TRP 119 -20.425 1.691 -21.567 994 HE3 TRP 119 HE3 TRP 119 -18.587 -2.511 -18.820 995 HZ2 TRP 119 HZ2 TRP 119 -21.466 -0.763 -22.497 996 HZ3 TRP 119 HZ3 TRP 119 -19.922 -4.027 -20.224 997 HH2 TRP 119 HH2 TRP 119 -21.332 -3.169 -22.023 998 H GLN 120 H GLN 120 -18.029 0.487 -15.076 999 HA GLN 120 HA GLN 120 -20.850 1.265 -14.800 1000 1HB GLN 120 2HB GLN 120 -19.281 -1.122 -13.974 1001 2HB GLN 120 3HB GLN 120 -20.600 -0.620 -12.925 1002 1HG GLN 120 2HG GLN 120 -21.406 -2.277 -14.446 1003 2HG GLN 120 3HG GLN 120 -22.128 -0.724 -14.864 1004 1HE2 GLN 120 1HE2 GLN 120 -22.333 -0.551 -16.969 1005 2HE2 GLN 120 2HE2 GLN 120 -21.176 -1.045 -18.153 1006 H TYR 121 H TYR 121 -18.373 0.331 -12.426 1007 HA TYR 121 HA TYR 121 -18.164 2.893 -11.238 1008 1HB TYR 121 2HB TYR 121 -20.534 1.708 -10.584 1009 2HB TYR 121 3HB TYR 121 -19.500 1.152 -9.273 1010 HD1 TYR 121 HD1 TYR 121 -19.225 2.503 -7.411 1011 HD2 TYR 121 HD2 TYR 121 -20.435 4.281 -11.082 1012 HE1 TYR 121 HE1 TYR 121 -19.513 4.660 -6.265 1013 HE2 TYR 121 HE2 TYR 121 -20.725 6.443 -9.946 1014 HH TYR 121 HH TYR 121 -19.452 7.186 -7.054 1015 H ILE 122 H ILE 122 -17.304 2.533 -8.818 1016 HA ILE 122 HA ILE 122 -14.834 1.270 -9.040 1017 HB ILE 122 HB ILE 122 -14.756 1.424 -6.522 1018 1HG1 ILE 122 2HG1 ILE 122 -17.276 3.024 -6.663 1019 2HG1 ILE 122 3HG1 ILE 122 -17.396 1.274 -6.519 1020 1HG2 ILE 122 1HG2 ILE 122 -15.373 4.098 -6.857 1021 2HG2 ILE 122 2HG2 ILE 122 -13.814 3.337 -7.168 1022 3HG2 ILE 122 3HG2 ILE 122 -14.970 3.549 -8.483 1023 1HD1 ILE 122 1HD1 ILE 122 -17.381 1.762 -4.324 1024 2HD1 ILE 122 2HD1 ILE 122 -15.634 1.762 -4.565 1025 3HD1 ILE 122 3HD1 ILE 122 -16.523 3.285 -4.556 Start of MODEL 5 1 H MET 1 H MET 1 10.692 0.052 -8.431 2 HA MET 1 HA MET 1 9.043 -1.676 -6.784 3 1HB MET 1 2HB MET 1 10.201 0.375 -5.896 4 2HB MET 1 3HB MET 1 9.092 1.343 -6.857 5 1HG MET 1 2HG MET 1 8.295 1.262 -4.609 6 2HG MET 1 3HG MET 1 7.205 0.327 -5.630 7 1HE MET 1 1HE MET 1 10.174 0.414 -3.508 8 2HE MET 1 2HE MET 1 9.518 -0.440 -2.111 9 3HE MET 1 3HE MET 1 10.607 -1.272 -3.222 10 H GLN 2 H GLN 2 8.000 -2.418 -8.898 11 HA GLN 2 HA GLN 2 5.825 -0.596 -9.675 12 1HB GLN 2 2HB GLN 2 7.089 -2.932 -11.105 13 2HB GLN 2 3HB GLN 2 5.584 -2.194 -11.637 14 1HG GLN 2 2HG GLN 2 6.610 -0.245 -12.295 15 2HG GLN 2 3HG GLN 2 7.987 -0.483 -11.221 16 1HE2 GLN 2 1HE2 GLN 2 9.487 -2.210 -11.780 17 2HE2 GLN 2 2HE2 GLN 2 9.757 -2.576 -13.447 18 H LYS 3 H LYS 3 3.708 -1.570 -10.081 19 HA LYS 3 HA LYS 3 3.045 -3.456 -7.973 20 1HB LYS 3 2HB LYS 3 1.773 -1.251 -8.750 21 2HB LYS 3 3HB LYS 3 0.981 -2.385 -9.837 22 1HG LYS 3 2HG LYS 3 -0.163 -3.394 -8.175 23 2HG LYS 3 3HG LYS 3 1.144 -3.196 -7.006 24 1HD LYS 3 2HD LYS 3 0.542 -0.958 -6.562 25 2HD LYS 3 3HD LYS 3 -0.507 -0.878 -7.979 26 1HE LYS 3 2HE LYS 3 -1.785 -1.067 -5.889 27 2HE LYS 3 3HE LYS 3 -2.052 -2.444 -6.958 28 1HZ LYS 3 1HZ LYS 3 -1.739 -3.111 -4.642 29 2HZ LYS 3 2HZ LYS 3 -0.195 -2.422 -4.640 30 3HZ LYS 3 3HZ LYS 3 -0.528 -3.746 -5.639 31 H GLY 4 H GLY 4 2.058 -3.163 -11.395 32 1HA GLY 4 2HA GLY 4 2.404 -4.926 -12.987 33 2HA GLY 4 3HA GLY 4 2.419 -6.073 -11.655 34 H LEU 5 H LEU 5 0.006 -3.625 -11.586 35 HA LEU 5 HA LEU 5 -1.981 -5.405 -12.796 36 1HB LEU 5 2HB LEU 5 -2.048 -4.290 -10.009 37 2HB LEU 5 3HB LEU 5 -3.513 -4.790 -10.851 38 HG LEU 5 HG LEU 5 -2.915 -6.584 -9.443 39 1HD1 LEU 5 1HD1 LEU 5 -3.140 -6.897 -12.139 40 2HD1 LEU 5 2HD1 LEU 5 -3.114 -8.212 -10.966 41 3HD1 LEU 5 3HD1 LEU 5 -1.632 -7.748 -11.802 42 1HD2 LEU 5 1HD2 LEU 5 -0.338 -5.616 -9.668 43 2HD2 LEU 5 2HD2 LEU 5 -0.266 -7.187 -10.467 44 3HD2 LEU 5 3HD2 LEU 5 -0.837 -7.070 -8.802 45 H GLU 6 H GLU 6 -4.027 -4.323 -13.272 46 HA GLU 6 HA GLU 6 -3.679 -1.418 -13.632 47 1HB GLU 6 2HB GLU 6 -5.325 -1.854 -15.616 48 2HB GLU 6 3HB GLU 6 -3.608 -2.176 -15.813 49 1HG GLU 6 2HG GLU 6 -4.011 -4.550 -15.358 50 2HG GLU 6 3HG GLU 6 -5.734 -4.216 -15.203 51 H ILE 7 H ILE 7 -5.236 -0.129 -12.863 52 HA ILE 7 HA ILE 7 -7.889 -1.226 -12.314 53 HB ILE 7 HB ILE 7 -7.757 0.114 -10.074 54 1HG1 ILE 7 2HG1 ILE 7 -5.304 0.764 -10.815 55 2HG1 ILE 7 3HG1 ILE 7 -5.690 0.475 -9.122 56 1HG2 ILE 7 1HG2 ILE 7 -8.230 -2.209 -10.078 57 2HG2 ILE 7 2HG2 ILE 7 -6.578 -2.614 -10.539 58 3HG2 ILE 7 3HG2 ILE 7 -6.912 -1.967 -8.933 59 1HD1 ILE 7 1HD1 ILE 7 -4.742 -1.796 -10.791 60 2HD1 ILE 7 2HD1 ILE 7 -3.582 -0.598 -10.216 61 3HD1 ILE 7 3HD1 ILE 7 -4.555 -1.508 -9.062 62 H ALA 8 H ALA 8 -9.543 0.296 -12.288 63 HA ALA 8 HA ALA 8 -8.765 3.044 -13.015 64 1HB ALA 8 1HB ALA 8 -10.929 1.332 -14.217 65 2HB ALA 8 2HB ALA 8 -10.833 3.078 -14.447 66 3HB ALA 8 3HB ALA 8 -9.530 2.040 -15.024 67 H PHE 9 H PHE 9 -10.032 4.713 -12.220 68 HA PHE 9 HA PHE 9 -12.208 3.983 -10.388 69 1HB PHE 9 2HB PHE 9 -10.345 4.304 -8.925 70 2HB PHE 9 3HB PHE 9 -9.849 5.765 -9.773 71 HD1 PHE 9 HD1 PHE 9 -10.326 7.767 -8.771 72 HD2 PHE 9 HD2 PHE 9 -12.849 4.427 -7.998 73 HE1 PHE 9 HE1 PHE 9 -11.637 9.127 -7.195 74 HE2 PHE 9 HE2 PHE 9 -14.165 5.782 -6.421 75 HZ PHE 9 HZ PHE 9 -13.560 8.135 -6.019 76 H GLN 10 H GLN 10 -13.932 5.336 -10.399 77 HA GLN 10 HA GLN 10 -13.900 7.470 -12.391 78 1HB GLN 10 2HB GLN 10 -16.394 7.447 -12.018 79 2HB GLN 10 3HB GLN 10 -15.717 5.959 -12.665 80 1HG GLN 10 2HG GLN 10 -16.096 4.781 -10.742 81 2HG GLN 10 3HG GLN 10 -16.043 6.218 -9.722 82 1HE2 GLN 10 1HE2 GLN 10 -17.927 6.543 -8.802 83 2HE2 GLN 10 2HE2 GLN 10 -19.475 6.356 -9.546 84 H THR 11 H THR 11 -15.010 9.513 -11.908 85 HA THR 11 HA THR 11 -15.510 10.339 -9.242 86 HB THR 11 HB THR 11 -13.148 10.311 -8.900 87 HG1 THR 11 HG1 THR 11 -13.496 13.026 -9.532 88 1HG2 THR 11 1HG2 THR 11 -11.852 11.994 -10.541 89 2HG2 THR 11 2HG2 THR 11 -13.079 11.392 -11.655 90 3HG2 THR 11 3HG2 THR 11 -11.987 10.264 -10.852 91 H ILE 12 H ILE 12 -15.954 12.681 -9.099 92 HA ILE 12 HA ILE 12 -16.142 14.201 -11.532 93 HB ILE 12 HB ILE 12 -18.717 14.504 -11.038 94 1HG1 ILE 12 2HG1 ILE 12 -19.787 12.386 -10.419 95 2HG1 ILE 12 3HG1 ILE 12 -18.207 11.645 -10.187 96 1HG2 ILE 12 1HG2 ILE 12 -19.101 13.368 -12.978 97 2HG2 ILE 12 2HG2 ILE 12 -17.345 13.495 -13.060 98 3HG2 ILE 12 3HG2 ILE 12 -18.095 11.999 -12.506 99 1HD1 ILE 12 1HD1 ILE 12 -18.772 14.093 -8.635 100 2HD1 ILE 12 2HD1 ILE 12 -19.650 12.631 -8.187 101 3HD1 ILE 12 3HD1 ILE 12 -17.887 12.636 -8.184 102 H ASN 13 H ASN 13 -17.580 16.253 -11.037 103 HA ASN 13 HA ASN 13 -16.307 17.734 -9.081 104 1HB ASN 13 2HB ASN 13 -17.735 18.562 -11.032 105 2HB ASN 13 3HB ASN 13 -19.128 18.300 -9.987 106 1HD2 ASN 13 1HD2 ASN 13 -19.786 20.295 -9.529 107 2HD2 ASN 13 2HD2 ASN 13 -18.806 21.527 -8.817 108 H GLY 14 H GLY 14 -16.234 17.033 -7.015 109 1HA GLY 14 2HA GLY 14 -18.408 17.443 -5.295 110 2HA GLY 14 3HA GLY 14 -18.321 15.724 -5.653 111 H LEU 15 H LEU 15 -17.084 14.524 -4.371 112 HA LEU 15 HA LEU 15 -15.022 15.889 -2.769 113 1HB LEU 15 2HB LEU 15 -17.009 13.777 -2.085 114 2HB LEU 15 3HB LEU 15 -15.456 13.785 -1.252 115 HG LEU 15 HG LEU 15 -15.896 15.966 -0.339 116 1HD1 LEU 15 1HD1 LEU 15 -18.245 16.926 -0.751 117 2HD1 LEU 15 2HD1 LEU 15 -18.248 15.911 -2.192 118 3HD1 LEU 15 3HD1 LEU 15 -17.015 17.156 -1.993 119 1HD2 LEU 15 1HD2 LEU 15 -17.205 13.685 0.377 120 2HD2 LEU 15 2HD2 LEU 15 -18.540 14.823 0.187 121 3HD2 LEU 15 3HD2 LEU 15 -17.218 15.191 1.295 122 H ASP 16 H ASP 16 -15.781 13.248 -4.866 123 HA ASP 16 HA ASP 16 -13.747 11.449 -4.367 124 1HB ASP 16 2HB ASP 16 -15.042 12.271 -6.966 125 2HB ASP 16 3HB ASP 16 -13.885 10.947 -6.857 126 H GLU 17 H GLU 17 -13.596 14.577 -5.897 127 HA GLU 17 HA GLU 17 -11.237 14.456 -7.306 128 1HB GLU 17 2HB GLU 17 -10.972 16.885 -6.731 129 2HB GLU 17 3HB GLU 17 -12.547 16.450 -7.379 130 1HG GLU 17 2HG GLU 17 -13.391 16.345 -5.029 131 2HG GLU 17 3HG GLU 17 -11.841 17.005 -4.510 132 H SER 18 H SER 18 -11.657 15.039 -3.832 133 HA SER 18 HA SER 18 -8.977 15.481 -3.182 134 1HB SER 18 2HB SER 18 -11.411 14.660 -1.690 135 2HB SER 18 3HB SER 18 -9.861 14.348 -0.910 136 HG SER 18 HG SER 18 -11.051 16.536 -0.724 137 H LEU 19 H LEU 19 -10.815 12.476 -3.444 138 HA LEU 19 HA LEU 19 -8.797 10.762 -2.459 139 1HB LEU 19 2HB LEU 19 -10.998 9.926 -2.515 140 2HB LEU 19 3HB LEU 19 -11.191 10.329 -4.219 141 HG LEU 19 HG LEU 19 -9.629 8.536 -4.815 142 1HD1 LEU 19 1HD1 LEU 19 -8.247 8.521 -2.828 143 2HD1 LEU 19 2HD1 LEU 19 -8.932 6.919 -3.100 144 3HD1 LEU 19 3HD1 LEU 19 -9.609 7.968 -1.854 145 1HD2 LEU 19 1HD2 LEU 19 -11.470 7.055 -3.082 146 2HD2 LEU 19 2HD2 LEU 19 -11.279 7.016 -4.835 147 3HD2 LEU 19 3HD2 LEU 19 -12.238 8.290 -4.079 148 H VAL 20 H VAL 20 -9.562 11.959 -5.684 149 HA VAL 20 HA VAL 20 -7.791 10.299 -7.120 150 HB VAL 20 HB VAL 20 -8.620 13.097 -7.890 151 1HG1 VAL 20 1HG1 VAL 20 -6.954 12.372 -9.370 152 2HG1 VAL 20 2HG1 VAL 20 -7.582 10.723 -9.407 153 3HG1 VAL 20 3HG1 VAL 20 -8.469 12.024 -10.202 154 1HG2 VAL 20 1HG2 VAL 20 -10.705 12.248 -7.663 155 2HG2 VAL 20 2HG2 VAL 20 -10.340 11.536 -9.235 156 3HG2 VAL 20 3HG2 VAL 20 -10.155 10.576 -7.767 157 H GLN 21 H GLN 21 -7.416 13.645 -5.953 158 HA GLN 21 HA GLN 21 -4.720 13.891 -6.794 159 1HB GLN 21 2HB GLN 21 -4.684 15.898 -5.345 160 2HB GLN 21 3HB GLN 21 -6.073 15.863 -6.424 161 1HG GLN 21 2HG GLN 21 -7.330 14.836 -4.434 162 2HG GLN 21 3HG GLN 21 -5.978 15.423 -3.467 163 1HE2 GLN 21 1HE2 GLN 21 -7.898 16.708 -6.165 164 2HE2 GLN 21 2HE2 GLN 21 -8.268 18.215 -5.406 165 H ALA 22 H ALA 22 -6.239 12.627 -3.930 166 HA ALA 22 HA ALA 22 -3.881 12.652 -2.303 167 1HB ALA 22 1HB ALA 22 -6.586 11.387 -2.045 168 2HB ALA 22 2HB ALA 22 -5.289 11.011 -0.910 169 3HB ALA 22 3HB ALA 22 -5.861 12.671 -1.077 170 H LEU 23 H LEU 23 -5.687 10.066 -3.968 171 HA LEU 23 HA LEU 23 -3.869 8.006 -3.372 172 1HB LEU 23 2HB LEU 23 -5.082 6.676 -4.847 173 2HB LEU 23 3HB LEU 23 -6.261 7.838 -4.241 174 HG LEU 23 HG LEU 23 -5.565 9.128 -6.456 175 1HD1 LEU 23 1HD1 LEU 23 -4.111 6.797 -6.760 176 2HD1 LEU 23 2HD1 LEU 23 -4.511 7.957 -8.026 177 3HD1 LEU 23 3HD1 LEU 23 -5.535 6.545 -7.770 178 1HD2 LEU 23 1HD2 LEU 23 -7.416 6.769 -6.644 179 2HD2 LEU 23 2HD2 LEU 23 -7.550 8.339 -7.436 180 3HD2 LEU 23 3HD2 LEU 23 -7.810 8.203 -5.696 181 H ALA 24 H ALA 24 -4.023 10.327 -6.006 182 HA ALA 24 HA ALA 24 -2.103 9.148 -7.692 183 1HB ALA 24 1HB ALA 24 -3.439 10.812 -8.657 184 2HB ALA 24 2HB ALA 24 -3.085 11.967 -7.372 185 3HB ALA 24 3HB ALA 24 -1.837 11.542 -8.543 186 H GLY 25 H GLY 25 -1.796 11.520 -5.071 187 1HA GLY 25 2HA GLY 25 1.010 11.901 -5.416 188 2HA GLY 25 3HA GLY 25 0.062 12.381 -4.017 189 H VAL 26 H VAL 26 -0.936 9.759 -3.405 190 HA VAL 26 HA VAL 26 1.166 8.835 -1.758 191 HB VAL 26 HB VAL 26 -1.400 7.435 -2.525 192 1HG1 VAL 26 1HG1 VAL 26 -0.869 6.423 -0.140 193 2HG1 VAL 26 2HG1 VAL 26 -0.214 5.708 -1.614 194 3HG1 VAL 26 3HG1 VAL 26 0.790 6.771 -0.627 195 1HG2 VAL 26 1HG2 VAL 26 -1.101 9.781 -1.126 196 2HG2 VAL 26 2HG2 VAL 26 -2.485 8.692 -1.026 197 3HG2 VAL 26 3HG2 VAL 26 -1.178 8.568 0.152 198 H THR 27 H THR 27 -0.351 7.393 -4.642 199 HA THR 27 HA THR 27 1.363 5.163 -4.791 200 HB THR 27 HB THR 27 -0.753 5.174 -5.981 201 HG1 THR 27 HG1 THR 27 0.021 4.281 -7.888 202 1HG2 THR 27 1HG2 THR 27 -0.343 7.723 -6.598 203 2HG2 THR 27 2HG2 THR 27 -1.385 6.689 -7.576 204 3HG2 THR 27 3HG2 THR 27 0.272 7.007 -8.087 205 H ALA 28 H ALA 28 1.486 8.340 -6.364 206 HA ALA 28 HA ALA 28 3.753 7.835 -7.959 207 1HB ALA 28 1HB ALA 28 2.375 9.688 -8.510 208 2HB ALA 28 2HB ALA 28 2.578 10.399 -6.909 209 3HB ALA 28 3HB ALA 28 3.941 10.341 -8.027 210 H SER 29 H SER 29 3.382 8.966 -4.649 211 HA SER 29 HA SER 29 6.141 9.644 -4.305 212 1HB SER 29 2HB SER 29 4.543 10.760 -2.906 213 2HB SER 29 3HB SER 29 3.884 9.226 -2.337 214 HG SER 29 HG SER 29 5.321 10.164 -0.820 215 H ASP 30 H ASP 30 4.179 6.794 -3.800 216 HA ASP 30 HA ASP 30 6.252 5.388 -2.358 217 1HB ASP 30 2HB ASP 30 3.587 4.481 -3.463 218 2HB ASP 30 3HB ASP 30 4.675 3.450 -2.537 219 H PHE 31 H PHE 31 5.433 5.952 -5.613 220 HA PHE 31 HA PHE 31 7.082 3.675 -6.488 221 1HB PHE 31 2HB PHE 31 4.770 5.100 -7.750 222 2HB PHE 31 3HB PHE 31 5.961 4.308 -8.777 223 HD1 PHE 31 HD1 PHE 31 5.170 2.316 -9.578 224 HD2 PHE 31 HD2 PHE 31 4.305 3.405 -5.555 225 HE1 PHE 31 HE1 PHE 31 4.025 0.164 -9.245 226 HE2 PHE 31 HE2 PHE 31 3.159 1.255 -5.215 227 HZ PHE 31 HZ PHE 31 3.019 -0.370 -7.061 228 HA PRO 32 HA PRO 32 9.611 7.486 -7.233 229 1HB PRO 32 2HB PRO 32 11.944 6.374 -6.400 230 2HB PRO 32 3HB PRO 32 10.799 7.145 -5.296 231 1HG PRO 32 2HG PRO 32 11.190 4.237 -5.893 232 2HG PRO 32 3HG PRO 32 10.937 5.034 -4.329 233 1HD PRO 32 2HD PRO 32 8.948 3.762 -5.656 234 2HD PRO 32 3HD PRO 32 8.657 5.183 -4.633 235 H ASP 33 H ASP 33 9.700 4.188 -8.239 236 HA ASP 33 HA ASP 33 11.868 4.285 -10.036 237 1HB ASP 33 2HB ASP 33 10.295 2.298 -9.145 238 2HB ASP 33 3HB ASP 33 9.543 2.568 -10.715 239 H LEU 34 H LEU 34 8.799 5.730 -10.151 240 HA LEU 34 HA LEU 34 7.722 6.984 -11.711 241 1HB LEU 34 2HB LEU 34 10.305 6.842 -13.255 242 2HB LEU 34 3HB LEU 34 9.017 8.030 -13.451 243 HG LEU 34 HG LEU 34 10.165 7.940 -10.755 244 1HD1 LEU 34 1HD1 LEU 34 11.863 8.678 -13.128 245 2HD1 LEU 34 2HD1 LEU 34 12.218 7.495 -11.870 246 3HD1 LEU 34 3HD1 LEU 34 12.194 9.215 -11.481 247 1HD2 LEU 34 1HD2 LEU 34 8.561 9.632 -11.563 248 2HD2 LEU 34 2HD2 LEU 34 9.759 10.178 -12.737 249 3HD2 LEU 34 3HD2 LEU 34 10.078 10.342 -11.009 250 H ASP 35 H ASP 35 8.089 3.947 -11.955 251 HA ASP 35 HA ASP 35 7.690 3.510 -14.795 252 1HB ASP 35 2HB ASP 35 7.528 1.542 -12.502 253 2HB ASP 35 3HB ASP 35 7.584 1.142 -14.216 254 H ILE 36 H ILE 36 5.777 4.678 -12.453 255 HA ILE 36 HA ILE 36 3.402 3.133 -12.782 256 HB ILE 36 HB ILE 36 3.715 4.462 -10.776 257 1HG1 ILE 36 2HG1 ILE 36 1.471 5.909 -12.094 258 2HG1 ILE 36 3HG1 ILE 36 1.396 4.150 -12.068 259 1HG2 ILE 36 1HG2 ILE 36 4.452 6.559 -10.786 260 2HG2 ILE 36 2HG2 ILE 36 4.629 6.419 -12.534 261 3HG2 ILE 36 3HG2 ILE 36 3.144 7.077 -11.849 262 1HD1 ILE 36 1HD1 ILE 36 2.086 4.893 -9.473 263 2HD1 ILE 36 2HD1 ILE 36 0.841 6.036 -9.979 264 3HD1 ILE 36 3HD1 ILE 36 0.526 4.302 -10.043 265 H LYS 37 H LYS 37 1.991 3.167 -14.397 266 HA LYS 37 HA LYS 37 2.086 5.419 -16.292 267 1HB LYS 37 2HB LYS 37 0.906 2.719 -16.897 268 2HB LYS 37 3HB LYS 37 1.462 3.950 -18.024 269 1HG LYS 37 2HG LYS 37 3.177 2.223 -16.252 270 2HG LYS 37 3HG LYS 37 3.011 2.113 -18.006 271 1HD LYS 37 2HD LYS 37 4.145 4.456 -16.478 272 2HD LYS 37 3HD LYS 37 5.078 3.258 -17.378 273 1HE LYS 37 2HE LYS 37 3.494 3.998 -19.347 274 2HE LYS 37 3HE LYS 37 3.335 5.461 -18.375 275 1HZ LYS 37 1HZ LYS 37 5.330 4.934 -20.145 276 2HZ LYS 37 2HZ LYS 37 6.054 4.603 -18.653 277 3HZ LYS 37 3HZ LYS 37 5.369 6.122 -18.941 278 H TYR 38 H TYR 38 0.665 6.429 -14.566 279 HA TYR 38 HA TYR 38 -2.147 5.717 -15.090 280 1HB TYR 38 2HB TYR 38 -2.726 6.010 -12.884 281 2HB TYR 38 3HB TYR 38 -1.086 5.402 -12.686 282 HD1 TYR 38 HD1 TYR 38 -3.251 7.684 -11.399 283 HD2 TYR 38 HD2 TYR 38 0.697 7.523 -12.979 284 HE1 TYR 38 HE1 TYR 38 -2.664 9.702 -10.122 285 HE2 TYR 38 HE2 TYR 38 1.295 9.540 -11.705 286 HH TYR 38 HH TYR 38 -0.051 11.567 -10.730 287 H ASN 39 H ASN 39 -3.639 7.629 -14.597 288 HA ASN 39 HA ASN 39 -2.774 10.276 -14.655 289 1HB ASN 39 2HB ASN 39 -2.337 9.017 -17.128 290 2HB ASN 39 3HB ASN 39 -3.775 10.009 -17.354 291 1HD2 ASN 39 1HD2 ASN 39 -2.943 11.608 -18.568 292 2HD2 ASN 39 2HD2 ASN 39 -1.688 12.676 -18.049 293 H ILE 40 H ILE 40 -4.599 11.740 -15.681 294 HA ILE 40 HA ILE 40 -7.209 10.489 -15.141 295 HB ILE 40 HB ILE 40 -7.450 13.189 -14.424 296 1HG1 ILE 40 2HG1 ILE 40 -4.884 13.010 -14.263 297 2HG1 ILE 40 3HG1 ILE 40 -5.748 13.667 -12.878 298 1HG2 ILE 40 1HG2 ILE 40 -8.768 11.522 -13.402 299 2HG2 ILE 40 2HG2 ILE 40 -7.350 10.627 -12.857 300 3HG2 ILE 40 3HG2 ILE 40 -7.750 12.178 -12.120 301 1HD1 ILE 40 1HD1 ILE 40 -5.258 10.756 -12.880 302 2HD1 ILE 40 2HD1 ILE 40 -3.860 11.809 -12.661 303 3HD1 ILE 40 3HD1 ILE 40 -5.227 11.916 -11.553 304 H PHE 41 H PHE 41 -8.766 10.911 -16.588 305 HA PHE 41 HA PHE 41 -8.353 13.123 -18.483 306 1HB PHE 41 2HB PHE 41 -9.539 11.446 -20.140 307 2HB PHE 41 3HB PHE 41 -7.797 11.385 -19.891 308 HD1 PHE 41 HD1 PHE 41 -11.002 9.818 -18.926 309 HD2 PHE 41 HD2 PHE 41 -6.762 9.465 -19.019 310 HE1 PHE 41 HE1 PHE 41 -11.188 7.456 -18.262 311 HE2 PHE 41 HE2 PHE 41 -6.940 7.102 -18.357 312 HZ PHE 41 HZ PHE 41 -9.155 6.094 -17.978 313 H LEU 42 H LEU 42 -10.219 14.111 -19.283 314 HA LEU 42 HA LEU 42 -12.639 13.548 -17.712 315 1HB LEU 42 2HB LEU 42 -11.842 15.766 -17.364 316 2HB LEU 42 3HB LEU 42 -11.669 16.038 -19.097 317 HG LEU 42 HG LEU 42 -13.645 17.123 -17.822 318 1HD1 LEU 42 1HD1 LEU 42 -14.710 17.371 -19.818 319 2HD1 LEU 42 2HD1 LEU 42 -14.596 15.659 -20.221 320 3HD1 LEU 42 3HD1 LEU 42 -13.184 16.700 -20.395 321 1HD2 LEU 42 1HD2 LEU 42 -15.154 14.663 -18.470 322 2HD2 LEU 42 2HD2 LEU 42 -15.432 15.869 -17.214 323 3HD2 LEU 42 3HD2 LEU 42 -14.185 14.640 -16.997 324 H VAL 43 H VAL 43 -14.204 12.499 -18.726 325 HA VAL 43 HA VAL 43 -14.334 12.593 -21.654 326 HB VAL 43 HB VAL 43 -15.269 10.519 -21.651 327 1HG1 VAL 43 1HG1 VAL 43 -13.132 10.682 -20.103 328 2HG1 VAL 43 2HG1 VAL 43 -14.274 10.122 -18.879 329 3HG1 VAL 43 3HG1 VAL 43 -13.994 9.161 -20.332 330 1HG2 VAL 43 1HG2 VAL 43 -16.623 9.637 -19.699 331 2HG2 VAL 43 2HG2 VAL 43 -16.542 11.266 -19.030 332 3HG2 VAL 43 3HG2 VAL 43 -17.325 10.990 -20.586 333 H ASP 44 H ASP 44 -16.127 13.267 -22.758 334 HA ASP 44 HA ASP 44 -18.402 14.259 -21.185 335 1HB ASP 44 2HB ASP 44 -16.867 16.138 -21.787 336 2HB ASP 44 3HB ASP 44 -17.142 15.763 -23.486 337 H LEU 45 H LEU 45 -20.220 13.358 -21.863 338 HA LEU 45 HA LEU 45 -20.762 13.064 -24.692 339 1HB LEU 45 2HB LEU 45 -19.650 10.922 -23.381 340 2HB LEU 45 3HB LEU 45 -21.377 10.586 -23.276 341 HG LEU 45 HG LEU 45 -19.657 10.815 -25.727 342 1HD1 LEU 45 1HD1 LEU 45 -21.506 8.674 -25.767 343 2HD1 LEU 45 2HD1 LEU 45 -20.732 8.684 -24.183 344 3HD1 LEU 45 3HD1 LEU 45 -19.748 8.605 -25.644 345 1HD2 LEU 45 1HD2 LEU 45 -21.512 12.115 -26.350 346 2HD2 LEU 45 2HD2 LEU 45 -22.642 11.067 -25.492 347 3HD2 LEU 45 3HD2 LEU 45 -21.858 10.499 -26.967 348 H TYR 46 H TYR 46 -22.924 13.083 -25.165 349 HA TYR 46 HA TYR 46 -25.156 13.409 -24.871 350 1HB TYR 46 2HB TYR 46 -24.794 12.059 -22.191 351 2HB TYR 46 3HB TYR 46 -26.289 12.217 -23.107 352 HD1 TYR 46 HD1 TYR 46 -26.680 10.845 -25.097 353 HD2 TYR 46 HD2 TYR 46 -23.151 10.388 -22.764 354 HE1 TYR 46 HE1 TYR 46 -26.242 8.686 -26.192 355 HE2 TYR 46 HE2 TYR 46 -22.703 8.228 -23.853 356 HH TYR 46 HH TYR 46 -24.199 7.235 -26.652 357 H GLY 47 H GLY 47 -23.137 15.341 -23.878 358 1HA GLY 47 2HA GLY 47 -23.393 17.501 -23.056 359 2HA GLY 47 3HA GLY 47 -24.989 17.058 -22.467 360 H GLN 48 H GLN 48 -23.388 14.631 -21.258 361 HA GLN 48 HA GLN 48 -22.744 16.058 -18.772 362 1HB GLN 48 2HB GLN 48 -22.925 13.696 -17.784 363 2HB GLN 48 3HB GLN 48 -24.412 14.479 -18.302 364 1HG GLN 48 2HG GLN 48 -24.346 13.213 -20.393 365 2HG GLN 48 3HG GLN 48 -22.867 12.416 -19.857 366 1HE2 GLN 48 1HE2 GLN 48 -25.962 13.176 -18.294 367 2HE2 GLN 48 2HE2 GLN 48 -26.292 11.562 -17.775 368 H LYS 49 H LYS 49 -20.740 16.041 -17.956 369 HA LYS 49 HA LYS 49 -18.742 14.318 -19.271 370 1HB LYS 49 2HB LYS 49 -17.114 16.162 -18.503 371 2HB LYS 49 3HB LYS 49 -18.145 16.492 -19.889 372 1HG LYS 49 2HG LYS 49 -19.282 17.274 -17.302 373 2HG LYS 49 3HG LYS 49 -17.824 18.150 -17.774 374 1HD LYS 49 2HD LYS 49 -19.708 17.848 -19.970 375 2HD LYS 49 3HD LYS 49 -20.405 18.705 -18.593 376 1HE LYS 49 2HE LYS 49 -18.276 20.113 -18.615 377 2HE LYS 49 3HE LYS 49 -17.968 19.414 -20.204 378 1HZ LYS 49 1HZ LYS 49 -19.364 21.647 -19.813 379 2HZ LYS 49 2HZ LYS 49 -20.622 20.517 -19.816 380 3HZ LYS 49 3HZ LYS 49 -19.585 20.631 -21.147 381 H TYR 50 H TYR 50 -17.518 13.030 -18.024 382 HA TYR 50 HA TYR 50 -17.615 13.431 -15.108 383 1HB TYR 50 2HB TYR 50 -17.675 10.755 -16.514 384 2HB TYR 50 3HB TYR 50 -17.762 11.031 -14.778 385 HD1 TYR 50 HD1 TYR 50 -19.826 11.502 -13.721 386 HD2 TYR 50 HD2 TYR 50 -19.581 11.504 -17.968 387 HE1 TYR 50 HE1 TYR 50 -22.279 11.609 -13.856 388 HE2 TYR 50 HE2 TYR 50 -22.034 11.613 -18.116 389 HH TYR 50 HH TYR 50 -23.995 12.424 -15.561 390 H PHE 51 H PHE 51 -15.806 12.543 -13.929 391 HA PHE 51 HA PHE 51 -13.346 12.611 -15.526 392 1HB PHE 51 2HB PHE 51 -13.816 13.035 -12.569 393 2HB PHE 51 3HB PHE 51 -12.224 13.017 -13.323 394 HD1 PHE 51 HD1 PHE 51 -15.486 14.777 -13.339 395 HD2 PHE 51 HD2 PHE 51 -11.341 14.944 -14.295 396 HE1 PHE 51 HE1 PHE 51 -15.701 17.177 -13.837 397 HE2 PHE 51 HE2 PHE 51 -11.549 17.345 -14.793 398 HZ PHE 51 HZ PHE 51 -13.731 18.465 -14.563 399 H ARG 52 H ARG 52 -12.071 10.878 -15.728 400 HA ARG 52 HA ARG 52 -12.493 8.599 -13.919 401 1HB ARG 52 2HB ARG 52 -12.243 8.471 -16.930 402 2HB ARG 52 3HB ARG 52 -12.233 7.074 -15.862 403 1HG ARG 52 2HG ARG 52 -14.499 7.595 -15.137 404 2HG ARG 52 3HG ARG 52 -14.511 9.016 -16.184 405 1HD ARG 52 2HD ARG 52 -13.960 7.342 -18.072 406 2HD ARG 52 3HD ARG 52 -14.517 6.115 -16.934 407 HE ARG 52 HE ARG 52 -16.136 7.904 -18.437 408 1HH1 ARG 52 2HH1 ARG 52 -15.918 6.258 -15.377 409 2HH1 ARG 52 1HH1 ARG 52 -17.631 6.233 -15.120 410 1HH2 ARG 52 2HH2 ARG 52 -18.393 7.878 -18.110 411 2HH2 ARG 52 1HH2 ARG 52 -19.038 7.154 -16.676 412 H ILE 53 H ILE 53 -10.678 7.579 -13.249 413 HA ILE 53 HA ILE 53 -8.124 8.568 -14.333 414 HB ILE 53 HB ILE 53 -7.190 8.587 -12.257 415 1HG1 ILE 53 2HG1 ILE 53 -8.322 7.140 -10.359 416 2HG1 ILE 53 3HG1 ILE 53 -8.983 6.251 -11.728 417 1HG2 ILE 53 1HG2 ILE 53 -8.555 9.796 -10.880 418 2HG2 ILE 53 2HG2 ILE 53 -9.496 9.862 -12.369 419 3HG2 ILE 53 3HG2 ILE 53 -9.927 8.712 -11.104 420 1HD1 ILE 53 1HD1 ILE 53 -6.346 6.168 -10.579 421 2HD1 ILE 53 2HD1 ILE 53 -7.109 5.077 -11.737 422 3HD1 ILE 53 3HD1 ILE 53 -6.281 6.527 -12.304 423 H LEU 54 H LEU 54 -6.636 7.151 -15.061 424 HA LEU 54 HA LEU 54 -7.244 4.282 -14.775 425 1HB LEU 54 2HB LEU 54 -7.363 5.615 -17.095 426 2HB LEU 54 3HB LEU 54 -5.649 5.204 -17.090 427 HG LEU 54 HG LEU 54 -8.004 3.330 -17.115 428 1HD1 LEU 54 1HD1 LEU 54 -7.647 3.460 -19.305 429 2HD1 LEU 54 2HD1 LEU 54 -6.124 2.617 -19.024 430 3HD1 LEU 54 3HD1 LEU 54 -6.158 4.380 -19.080 431 1HD2 LEU 54 1HD2 LEU 54 -6.075 1.591 -17.201 432 2HD2 LEU 54 2HD2 LEU 54 -6.627 2.204 -15.642 433 3HD2 LEU 54 3HD2 LEU 54 -5.151 2.842 -16.369 434 H PHE 55 H PHE 55 -5.681 3.018 -13.979 435 HA PHE 55 HA PHE 55 -2.943 4.092 -13.863 436 1HB PHE 55 2HB PHE 55 -3.685 4.343 -11.645 437 2HB PHE 55 3HB PHE 55 -4.572 2.823 -11.676 438 HD1 PHE 55 HD1 PHE 55 -3.656 1.691 -9.850 439 HD2 PHE 55 HD2 PHE 55 -1.082 3.413 -12.768 440 HE1 PHE 55 HE1 PHE 55 -1.734 0.549 -8.822 441 HE2 PHE 55 HE2 PHE 55 0.845 2.274 -11.747 442 HZ PHE 55 HZ PHE 55 0.520 0.839 -9.771 443 H GLN 56 H GLN 56 -1.560 2.823 -14.891 444 HA GLN 56 HA GLN 56 -1.961 -0.085 -14.808 445 1HB GLN 56 2HB GLN 56 -2.771 0.910 -16.983 446 2HB GLN 56 3HB GLN 56 -1.110 1.395 -17.298 447 1HG GLN 56 2HG GLN 56 -0.435 -0.979 -17.152 448 2HG GLN 56 3HG GLN 56 -2.133 -1.415 -16.966 449 1HE2 GLN 56 1HE2 GLN 56 -3.516 -1.245 -18.720 450 2HE2 GLN 56 2HE2 GLN 56 -2.940 -1.065 -20.338 451 H SER 57 H SER 57 -0.053 -1.337 -15.053 452 HA SER 57 HA SER 57 2.414 0.179 -14.504 453 1HB SER 57 2HB SER 57 1.612 -1.209 -12.605 454 2HB SER 57 3HB SER 57 1.740 -2.641 -13.628 455 HG SER 57 HG SER 57 3.757 -2.703 -13.085 456 H LYS 58 H LYS 58 4.432 -0.899 -15.193 457 HA LYS 58 HA LYS 58 4.170 -1.810 -17.920 458 1HB LYS 58 2HB LYS 58 6.278 -0.695 -16.232 459 2HB LYS 58 3HB LYS 58 6.851 -1.994 -17.270 460 1HG LYS 58 2HG LYS 58 6.776 -0.709 -19.081 461 2HG LYS 58 3HG LYS 58 5.157 -0.122 -18.696 462 1HD LYS 58 2HD LYS 58 6.286 1.840 -18.483 463 2HD LYS 58 3HD LYS 58 6.524 1.225 -16.846 464 1HE LYS 58 2HE LYS 58 8.696 1.631 -17.277 465 2HE LYS 58 3HE LYS 58 8.619 0.083 -18.118 466 1HZ LYS 58 1HZ LYS 58 7.980 2.580 -19.546 467 2HZ LYS 58 2HZ LYS 58 8.528 1.107 -20.169 468 3HZ LYS 58 3HZ LYS 58 9.593 2.117 -19.328 469 H LYS 59 H LYS 59 5.097 -3.154 -14.810 470 HA LYS 59 HA LYS 59 6.003 -5.652 -15.891 471 1HB LYS 59 2HB LYS 59 5.405 -4.675 -13.107 472 2HB LYS 59 3HB LYS 59 5.821 -6.354 -13.424 473 1HG LYS 59 2HG LYS 59 7.643 -4.343 -14.568 474 2HG LYS 59 3HG LYS 59 7.616 -4.457 -12.807 475 1HD LYS 59 2HD LYS 59 9.314 -5.935 -13.631 476 2HD LYS 59 3HD LYS 59 7.975 -6.915 -13.030 477 1HE LYS 59 2HE LYS 59 7.165 -7.240 -15.294 478 2HE LYS 59 3HE LYS 59 8.433 -6.189 -15.922 479 1HZ LYS 59 1HZ LYS 59 8.555 -8.958 -15.187 480 2HZ LYS 59 2HZ LYS 59 9.799 -8.047 -14.492 481 3HZ LYS 59 3HZ LYS 59 9.595 -8.056 -16.171 482 H LEU 60 H LEU 60 2.998 -4.329 -15.641 483 HA LEU 60 HA LEU 60 1.286 -6.156 -14.568 484 1HB LEU 60 2HB LEU 60 0.956 -3.942 -16.027 485 2HB LEU 60 3HB LEU 60 0.552 -5.142 -17.253 486 HG LEU 60 HG LEU 60 -0.802 -4.989 -14.565 487 1HD1 LEU 60 1HD1 LEU 60 -2.466 -4.180 -16.742 488 2HD1 LEU 60 2HD1 LEU 60 -1.022 -3.169 -16.699 489 3HD1 LEU 60 3HD1 LEU 60 -2.049 -3.300 -15.271 490 1HD2 LEU 60 1HD2 LEU 60 -0.983 -7.154 -15.591 491 2HD2 LEU 60 2HD2 LEU 60 -1.441 -6.433 -17.134 492 3HD2 LEU 60 3HD2 LEU 60 -2.530 -6.321 -15.750 493 H SER 61 H SER 61 1.508 -8.302 -14.730 494 HA SER 61 HA SER 61 1.896 -9.470 -17.403 495 1HB SER 61 2HB SER 61 3.313 -9.933 -15.077 496 2HB SER 61 3HB SER 61 2.193 -11.294 -15.133 497 HG SER 61 HG SER 61 4.167 -10.541 -17.000 498 H GLU 62 H GLU 62 0.632 -11.248 -18.049 499 HA GLU 62 HA GLU 62 -2.085 -11.126 -17.217 500 1HB GLU 62 2HB GLU 62 -0.577 -12.942 -19.087 501 2HB GLU 62 3HB GLU 62 -2.286 -13.173 -18.747 502 1HG GLU 62 2HG GLU 62 -2.851 -11.080 -19.695 503 2HG GLU 62 3HG GLU 62 -1.161 -10.586 -19.777 504 H LEU 63 H LEU 63 0.628 -13.097 -16.339 505 HA LEU 63 HA LEU 63 -0.923 -15.197 -15.139 506 1HB LEU 63 2HB LEU 63 1.978 -14.480 -15.219 507 2HB LEU 63 3HB LEU 63 1.400 -15.690 -14.075 508 HG LEU 63 HG LEU 63 2.305 -16.750 -16.059 509 1HD1 LEU 63 1HD1 LEU 63 -0.057 -17.350 -14.869 510 2HD1 LEU 63 2HD1 LEU 63 0.732 -18.348 -16.090 511 3HD1 LEU 63 3HD1 LEU 63 -0.546 -17.226 -16.559 512 1HD2 LEU 63 1HD2 LEU 63 1.464 -14.638 -17.461 513 2HD2 LEU 63 2HD2 LEU 63 0.135 -15.746 -17.804 514 3HD2 LEU 63 3HD2 LEU 63 1.792 -16.206 -18.199 515 H HIS 64 H HIS 64 -0.166 -15.748 -12.740 516 HA HIS 64 HA HIS 64 -0.367 -15.256 -10.528 517 1HB HIS 64 2HB HIS 64 0.414 -12.430 -11.250 518 2HB HIS 64 3HB HIS 64 0.610 -13.234 -9.696 519 HD1 HIS 64 HD1 HIS 64 2.462 -15.148 -9.611 520 HD2 HIS 64 HD2 HIS 64 2.504 -12.743 -12.998 521 HE1 HIS 64 HE1 HIS 64 4.705 -15.533 -10.681 522 HA PRO 65 HA PRO 65 -4.545 -13.434 -11.397 523 1HB PRO 65 2HB PRO 65 -5.927 -15.491 -10.291 524 2HB PRO 65 3HB PRO 65 -5.395 -15.488 -11.976 525 1HG PRO 65 2HG PRO 65 -4.152 -16.818 -9.600 526 2HG PRO 65 3HG PRO 65 -4.393 -17.452 -11.238 527 1HD PRO 65 2HD PRO 65 -2.010 -16.491 -10.384 528 2HD PRO 65 3HD PRO 65 -2.546 -16.353 -12.071 529 H GLU 66 H GLU 66 -2.983 -14.787 -8.580 530 HA GLU 66 HA GLU 66 -4.833 -13.942 -6.627 531 1HB GLU 66 2HB GLU 66 -2.282 -15.211 -6.682 532 2HB GLU 66 3HB GLU 66 -2.197 -13.871 -5.548 533 1HG GLU 66 2HG GLU 66 -4.474 -15.800 -5.436 534 2HG GLU 66 3HG GLU 66 -2.919 -16.204 -4.712 535 H GLU 67 H GLU 67 -2.333 -12.282 -8.376 536 HA GLU 67 HA GLU 67 -2.008 -10.076 -6.635 537 1HB GLU 67 2HB GLU 67 -1.313 -10.702 -9.451 538 2HB GLU 67 3HB GLU 67 -1.381 -9.000 -9.016 539 1HG GLU 67 2HG GLU 67 0.106 -10.698 -7.142 540 2HG GLU 67 3HG GLU 67 0.804 -10.568 -8.756 541 H ARG 68 H ARG 68 -4.215 -10.738 -9.300 542 HA ARG 68 HA ARG 68 -5.295 -8.227 -9.712 543 1HB ARG 68 2HB ARG 68 -6.016 -10.949 -10.315 544 2HB ARG 68 3HB ARG 68 -7.449 -10.037 -9.861 545 1HG ARG 68 2HG ARG 68 -7.523 -9.168 -11.891 546 2HG ARG 68 3HG ARG 68 -5.950 -8.414 -11.619 547 1HD ARG 68 2HD ARG 68 -6.031 -9.849 -13.643 548 2HD ARG 68 3HD ARG 68 -4.813 -10.348 -12.470 549 HE ARG 68 HE ARG 68 -5.928 -12.326 -12.217 550 1HH1 ARG 68 2HH1 ARG 68 -8.055 -10.014 -13.718 551 2HH1 ARG 68 1HH1 ARG 68 -9.308 -11.171 -14.025 552 1HH2 ARG 68 2HH2 ARG 68 -7.571 -13.858 -12.616 553 2HH2 ARG 68 1HH2 ARG 68 -9.032 -13.356 -13.397 554 H LYS 69 H LYS 69 -6.531 -10.738 -7.500 555 HA LYS 69 HA LYS 69 -8.497 -9.081 -6.323 556 1HB LYS 69 2HB LYS 69 -8.574 -10.837 -4.553 557 2HB LYS 69 3HB LYS 69 -8.723 -11.471 -6.186 558 1HG LYS 69 2HG LYS 69 -6.294 -12.024 -6.116 559 2HG LYS 69 3HG LYS 69 -6.292 -11.552 -4.415 560 1HD LYS 69 2HD LYS 69 -6.535 -13.947 -4.577 561 2HD LYS 69 3HD LYS 69 -8.045 -13.249 -3.987 562 1HE LYS 69 2HE LYS 69 -9.111 -13.543 -6.066 563 2HE LYS 69 3HE LYS 69 -7.584 -13.834 -6.898 564 1HZ LYS 69 1HZ LYS 69 -7.674 -15.778 -4.996 565 2HZ LYS 69 2HZ LYS 69 -8.047 -15.979 -6.634 566 3HZ LYS 69 3HZ LYS 69 -9.281 -15.678 -5.516 567 H LYS 70 H LYS 70 -5.143 -9.766 -5.528 568 HA LYS 70 HA LYS 70 -5.046 -8.672 -2.962 569 1HB LYS 70 2HB LYS 70 -3.231 -9.992 -4.068 570 2HB LYS 70 3HB LYS 70 -2.850 -8.575 -5.038 571 1HG LYS 70 2HG LYS 70 -1.365 -8.155 -3.418 572 2HG LYS 70 3HG LYS 70 -2.763 -7.524 -2.544 573 1HD LYS 70 2HD LYS 70 -2.046 -10.427 -2.370 574 2HD LYS 70 3HD LYS 70 -1.202 -9.237 -1.377 575 1HE LYS 70 2HE LYS 70 -3.528 -8.447 -0.669 576 2HE LYS 70 3HE LYS 70 -4.121 -9.948 -1.378 577 1HZ LYS 70 1HZ LYS 70 -3.268 -9.669 1.163 578 2HZ LYS 70 2HZ LYS 70 -1.889 -10.297 0.410 579 3HZ LYS 70 3HZ LYS 70 -3.354 -11.140 0.331 580 H VAL 71 H VAL 71 -4.291 -7.110 -6.077 581 HA VAL 71 HA VAL 71 -3.918 -4.530 -4.954 582 HB VAL 71 HB VAL 71 -3.948 -3.698 -7.240 583 1HG1 VAL 71 1HG1 VAL 71 -2.018 -5.110 -6.244 584 2HG1 VAL 71 2HG1 VAL 71 -2.533 -6.329 -7.411 585 3HG1 VAL 71 3HG1 VAL 71 -2.010 -4.739 -7.968 586 1HG2 VAL 71 1HG2 VAL 71 -4.851 -6.471 -8.013 587 2HG2 VAL 71 2HG2 VAL 71 -5.837 -5.010 -8.072 588 3HG2 VAL 71 3HG2 VAL 71 -4.433 -5.170 -9.128 589 H ARG 72 H ARG 72 -6.691 -6.249 -6.219 590 HA ARG 72 HA ARG 72 -8.447 -4.112 -6.603 591 1HB ARG 72 2HB ARG 72 -8.607 -6.978 -6.488 592 2HB ARG 72 3HB ARG 72 -9.956 -6.280 -5.603 593 1HG ARG 72 2HG ARG 72 -10.688 -6.598 -7.824 594 2HG ARG 72 3HG ARG 72 -10.416 -4.865 -7.628 595 1HD ARG 72 2HD ARG 72 -8.085 -5.315 -8.585 596 2HD ARG 72 3HD ARG 72 -8.729 -6.880 -9.081 597 HE ARG 72 HE ARG 72 -9.289 -4.321 -10.261 598 1HH1 ARG 72 2HH1 ARG 72 -10.456 -7.564 -9.774 599 2HH1 ARG 72 1HH1 ARG 72 -11.475 -7.548 -11.175 600 1HH2 ARG 72 2HH2 ARG 72 -10.626 -4.287 -12.109 601 2HH2 ARG 72 1HH2 ARG 72 -11.570 -5.684 -12.503 602 H GLU 73 H GLU 73 -8.053 -6.186 -3.729 603 HA GLU 73 HA GLU 73 -9.841 -4.657 -2.130 604 1HB GLU 73 2HB GLU 73 -8.926 -5.986 -0.247 605 2HB GLU 73 3HB GLU 73 -9.445 -6.980 -1.601 606 1HG GLU 73 2HG GLU 73 -7.451 -7.960 -1.062 607 2HG GLU 73 3HG GLU 73 -6.948 -6.828 -2.316 608 H LYS 74 H LYS 74 -6.378 -4.605 -2.677 609 HA LYS 74 HA LYS 74 -5.606 -2.994 -0.521 610 1HB LYS 74 2HB LYS 74 -4.255 -4.250 -2.463 611 2HB LYS 74 3HB LYS 74 -4.230 -2.623 -3.130 612 1HG LYS 74 2HG LYS 74 -3.171 -3.494 -0.451 613 2HG LYS 74 3HG LYS 74 -2.231 -2.991 -1.857 614 1HD LYS 74 2HD LYS 74 -4.167 -1.248 -0.333 615 2HD LYS 74 3HD LYS 74 -2.410 -1.210 -0.167 616 1HE LYS 74 2HE LYS 74 -3.900 -0.692 -2.737 617 2HE LYS 74 3HE LYS 74 -3.321 0.568 -1.648 618 1HZ LYS 74 1HZ LYS 74 -1.588 -1.448 -2.971 619 2HZ LYS 74 2HZ LYS 74 -1.072 -0.153 -2.012 620 3HZ LYS 74 3HZ LYS 74 -1.802 0.142 -3.510 621 H PHE 75 H PHE 75 -6.363 -2.044 -3.874 622 HA PHE 75 HA PHE 75 -6.238 0.746 -3.308 623 1HB PHE 75 2HB PHE 75 -6.444 1.009 -5.543 624 2HB PHE 75 3HB PHE 75 -6.194 -0.732 -5.597 625 HD1 PHE 75 HD1 PHE 75 -7.993 -2.232 -6.114 626 HD2 PHE 75 HD2 PHE 75 -8.667 1.961 -5.828 627 HE1 PHE 75 HE1 PHE 75 -10.187 -2.514 -7.193 628 HE2 PHE 75 HE2 PHE 75 -10.862 1.685 -6.905 629 HZ PHE 75 HZ PHE 75 -11.625 -0.554 -7.588 630 H ASP 76 H ASP 76 -8.795 -1.650 -3.378 631 HA ASP 76 HA ASP 76 -11.008 0.073 -3.365 632 1HB ASP 76 2HB ASP 76 -11.486 -2.185 -3.792 633 2HB ASP 76 3HB ASP 76 -10.576 -2.737 -2.388 634 H GLU 77 H GLU 77 -9.253 -1.427 -0.656 635 HA GLU 77 HA GLU 77 -10.799 -0.130 1.350 636 1HB GLU 77 2HB GLU 77 -8.191 -1.625 1.365 637 2HB GLU 77 3HB GLU 77 -8.782 -0.820 2.812 638 1HG GLU 77 2HG GLU 77 -10.740 -2.181 2.858 639 2HG GLU 77 3HG GLU 77 -10.361 -2.869 1.280 640 H ASN 78 H ASN 78 -7.545 0.453 0.040 641 HA ASN 78 HA ASN 78 -6.800 2.599 1.610 642 1HB ASN 78 2HB ASN 78 -5.317 1.473 -0.020 643 2HB ASN 78 3HB ASN 78 -6.207 2.234 -1.335 644 1HD2 ASN 78 1HD2 ASN 78 -5.924 4.403 -1.752 645 2HD2 ASN 78 2HD2 ASN 78 -4.640 5.326 -1.055 646 H SER 79 H SER 79 -8.890 2.539 -1.221 647 HA SER 79 HA SER 79 -9.114 5.395 -1.395 648 1HB SER 79 2HB SER 79 -10.728 3.173 -2.666 649 2HB SER 79 3HB SER 79 -10.937 4.885 -3.032 650 HG SER 79 HG SER 79 -9.453 4.481 -4.473 651 H ARG 80 H ARG 80 -11.142 2.770 -0.150 652 HA ARG 80 HA ARG 80 -13.285 4.477 0.638 653 1HB ARG 80 2HB ARG 80 -14.345 2.571 1.357 654 2HB ARG 80 3HB ARG 80 -13.198 1.872 0.223 655 1HG ARG 80 2HG ARG 80 -12.792 0.488 1.951 656 2HG ARG 80 3HG ARG 80 -11.711 1.792 2.445 657 1HD ARG 80 2HD ARG 80 -12.975 2.328 4.221 658 2HD ARG 80 3HD ARG 80 -14.481 2.133 3.325 659 HE ARG 80 HE ARG 80 -13.263 -0.376 3.890 660 1HH1 ARG 80 2HH1 ARG 80 -15.163 2.181 5.294 661 2HH1 ARG 80 1HH1 ARG 80 -15.907 1.156 6.476 662 1HH2 ARG 80 2HH2 ARG 80 -14.235 -1.736 5.442 663 2HH2 ARG 80 1HH2 ARG 80 -15.378 -1.072 6.561 664 H MET 81 H MET 81 -10.214 4.037 1.869 665 HA MET 81 HA MET 81 -10.345 3.907 4.575 666 1HB MET 81 2HB MET 81 -8.602 5.436 2.706 667 2HB MET 81 3HB MET 81 -8.490 5.811 4.421 668 1HG MET 81 2HG MET 81 -8.206 3.036 3.302 669 2HG MET 81 3HG MET 81 -6.850 4.126 3.584 670 1HE MET 81 1HE MET 81 -7.392 1.009 5.201 671 2HE MET 81 2HE MET 81 -8.660 1.253 6.402 672 3HE MET 81 3HE MET 81 -9.004 1.510 4.691 673 H GLN 82 H GLN 82 -10.471 5.457 6.286 674 HA GLN 82 HA GLN 82 -12.695 7.100 6.231 675 1HB GLN 82 2HB GLN 82 -10.274 7.364 8.022 676 2HB GLN 82 3HB GLN 82 -11.858 8.060 8.332 677 1HG GLN 82 2HG GLN 82 -12.833 5.954 8.689 678 2HG GLN 82 3HG GLN 82 -11.452 5.109 7.992 679 1HE2 GLN 82 1HE2 GLN 82 -12.517 7.049 10.723 680 2HE2 GLN 82 2HE2 GLN 82 -11.355 6.441 11.847 681 H TYR 83 H TYR 83 -12.909 9.411 6.337 682 HA TYR 83 HA TYR 83 -11.551 10.750 4.266 683 1HB TYR 83 2HB TYR 83 -13.836 11.203 5.768 684 2HB TYR 83 3HB TYR 83 -12.775 12.531 6.225 685 HD1 TYR 83 HD1 TYR 83 -15.451 12.216 4.418 686 HD2 TYR 83 HD2 TYR 83 -11.335 12.995 3.677 687 HE1 TYR 83 HE1 TYR 83 -16.054 13.403 2.350 688 HE2 TYR 83 HE2 TYR 83 -11.926 14.185 1.608 689 HH TYR 83 HH TYR 83 -13.716 15.222 0.527 690 H SER 84 H SER 84 -11.090 10.680 7.747 691 HA SER 84 HA SER 84 -9.364 12.858 8.024 692 1HB SER 84 2HB SER 84 -9.917 12.113 10.103 693 2HB SER 84 3HB SER 84 -9.990 10.427 9.592 694 HG SER 84 HG SER 84 -7.630 11.932 10.073 695 H GLU 85 H GLU 85 -8.574 9.419 7.530 696 HA GLU 85 HA GLU 85 -5.779 9.836 7.331 697 1HB GLU 85 2HB GLU 85 -7.179 7.649 7.738 698 2HB GLU 85 3HB GLU 85 -7.130 7.530 5.985 699 1HG GLU 85 2HG GLU 85 -5.276 6.332 6.470 700 2HG GLU 85 3HG GLU 85 -4.548 7.935 6.397 701 H LEU 86 H LEU 86 -8.384 9.727 4.966 702 HA LEU 86 HA LEU 86 -6.833 9.636 2.635 703 1HB LEU 86 2HB LEU 86 -9.492 9.652 3.188 704 2HB LEU 86 3HB LEU 86 -9.277 11.265 2.510 705 HG LEU 86 HG LEU 86 -9.995 9.712 0.796 706 1HD1 LEU 86 1HD1 LEU 86 -8.066 9.981 -0.786 707 2HD1 LEU 86 2HD1 LEU 86 -7.140 10.634 0.565 708 3HD1 LEU 86 3HD1 LEU 86 -8.595 11.462 0.012 709 1HD2 LEU 86 1HD2 LEU 86 -9.301 7.607 0.708 710 2HD2 LEU 86 2HD2 LEU 86 -8.312 7.907 2.137 711 3HD2 LEU 86 3HD2 LEU 86 -7.624 8.124 0.527 712 H MET 87 H MET 87 -7.982 12.380 4.555 713 HA MET 87 HA MET 87 -6.708 14.288 2.788 714 1HB MET 87 2HB MET 87 -8.719 14.368 4.842 715 2HB MET 87 3HB MET 87 -7.471 15.557 5.190 716 1HG MET 87 2HG MET 87 -9.299 16.501 3.879 717 2HG MET 87 3HG MET 87 -7.766 16.557 3.012 718 1HE MET 87 1HE MET 87 -7.131 15.618 1.202 719 2HE MET 87 2HE MET 87 -7.839 14.296 0.274 720 3HE MET 87 3HE MET 87 -8.384 15.953 0.006 721 H THR 88 H THR 88 -6.076 12.709 5.834 722 HA THR 88 HA THR 88 -3.998 14.430 6.716 723 HB THR 88 HB THR 88 -4.901 11.680 7.464 724 HG1 THR 88 HG1 THR 88 -5.796 13.657 8.373 725 1HG2 THR 88 1HG2 THR 88 -2.244 12.912 8.125 726 2HG2 THR 88 2HG2 THR 88 -2.602 11.267 7.601 727 3HG2 THR 88 3HG2 THR 88 -3.030 11.786 9.230 728 H LYS 89 H LYS 89 -3.961 11.285 5.051 729 HA LYS 89 HA LYS 89 -1.136 11.169 4.805 730 1HB LYS 89 2HB LYS 89 -3.232 9.423 4.365 731 2HB LYS 89 3HB LYS 89 -2.628 9.732 2.743 732 1HG LYS 89 2HG LYS 89 -1.418 7.880 3.423 733 2HG LYS 89 3HG LYS 89 -0.312 9.219 3.736 734 1HD LYS 89 2HD LYS 89 -2.142 8.410 5.928 735 2HD LYS 89 3HD LYS 89 -0.805 7.324 5.540 736 1HE LYS 89 2HE LYS 89 0.447 9.740 5.567 737 2HE LYS 89 3HE LYS 89 -0.788 9.975 6.803 738 1HZ LYS 89 1HZ LYS 89 0.270 7.486 7.292 739 2HZ LYS 89 2HZ LYS 89 0.557 8.899 8.177 740 3HZ LYS 89 3HZ LYS 89 1.609 8.454 6.930 741 H TYR 90 H TYR 90 -3.384 13.128 3.308 742 HA TYR 90 HA TYR 90 -1.810 13.386 0.846 743 1HB TYR 90 2HB TYR 90 -4.219 13.106 0.539 744 2HB TYR 90 3HB TYR 90 -4.529 14.505 1.561 745 HD1 TYR 90 HD1 TYR 90 -2.087 13.981 -1.216 746 HD2 TYR 90 HD2 TYR 90 -5.452 16.153 0.221 747 HE1 TYR 90 HE1 TYR 90 -1.982 15.441 -3.193 748 HE2 TYR 90 HE2 TYR 90 -5.356 17.618 -1.752 749 HH TYR 90 HH TYR 90 -3.932 18.309 -3.465 750 H HIS 91 H HIS 91 -3.101 15.289 3.540 751 HA HIS 91 HA HIS 91 -1.555 17.614 2.698 752 1HB HIS 91 2HB HIS 91 -3.927 17.168 4.299 753 2HB HIS 91 3HB HIS 91 -2.766 18.174 5.161 754 HD1 HIS 91 HD1 HIS 91 -1.669 19.944 3.000 755 HD2 HIS 91 HD2 HIS 91 -5.688 18.914 3.227 756 HE1 HIS 91 HE1 HIS 91 -2.896 21.741 1.739 757 H ASP 92 H ASP 92 -1.962 15.717 5.693 758 HA ASP 92 HA ASP 92 0.164 16.798 7.111 759 1HB ASP 92 2HB ASP 92 -1.697 14.775 7.527 760 2HB ASP 92 3HB ASP 92 -0.145 13.944 7.602 761 H LEU 93 H LEU 93 0.206 14.727 4.390 762 HA LEU 93 HA LEU 93 2.797 13.583 4.870 763 1HB LEU 93 2HB LEU 93 0.667 13.160 3.075 764 2HB LEU 93 3HB LEU 93 2.074 13.572 2.098 765 HG LEU 93 HG LEU 93 1.738 11.250 3.983 766 1HD1 LEU 93 1HD1 LEU 93 1.042 10.351 2.055 767 2HD1 LEU 93 2HD1 LEU 93 2.752 10.333 1.627 768 3HD1 LEU 93 3HD1 LEU 93 1.722 11.658 1.085 769 1HD2 LEU 93 1HD2 LEU 93 4.152 10.779 3.067 770 2HD2 LEU 93 2HD2 LEU 93 3.909 11.781 4.498 771 3HD2 LEU 93 3HD2 LEU 93 4.213 12.536 2.933 772 H LYS 94 H LYS 94 1.842 16.640 4.128 773 HA LYS 94 HA LYS 94 3.323 17.597 2.056 774 1HB LYS 94 2HB LYS 94 3.240 19.721 3.062 775 2HB LYS 94 3HB LYS 94 1.831 18.878 3.692 776 1HG LYS 94 2HG LYS 94 4.378 18.813 5.238 777 2HG LYS 94 3HG LYS 94 3.372 20.263 5.276 778 1HD LYS 94 2HD LYS 94 2.264 17.523 5.829 779 2HD LYS 94 3HD LYS 94 2.969 18.528 7.097 780 1HE LYS 94 2HE LYS 94 0.720 19.413 5.296 781 2HE LYS 94 3HE LYS 94 0.480 18.694 6.888 782 1HZ LYS 94 1HZ LYS 94 1.081 21.370 6.234 783 2HZ LYS 94 2HZ LYS 94 2.322 20.745 7.198 784 3HZ LYS 94 3HZ LYS 94 0.723 20.704 7.748 785 H LYS 95 H LYS 95 4.497 16.462 5.135 786 HA LYS 95 HA LYS 95 7.003 17.559 5.308 787 1HB LYS 95 2HB LYS 95 5.686 15.610 6.657 788 2HB LYS 95 3HB LYS 95 6.899 14.650 5.821 789 1HG LYS 95 2HG LYS 95 7.726 15.244 7.988 790 2HG LYS 95 3HG LYS 95 8.652 16.116 6.765 791 1HD LYS 95 2HD LYS 95 6.428 17.726 7.467 792 2HD LYS 95 3HD LYS 95 7.170 17.160 8.965 793 1HE LYS 95 2HE LYS 95 9.382 17.902 8.011 794 2HE LYS 95 3HE LYS 95 8.474 18.676 6.713 795 1HZ LYS 95 1HZ LYS 95 7.574 20.220 8.143 796 2HZ LYS 95 2HZ LYS 95 9.130 20.041 8.781 797 3HZ LYS 95 3HZ LYS 95 7.820 19.270 9.521 798 H GLN 96 H GLN 96 6.258 14.470 3.680 799 HA GLN 96 HA GLN 96 8.549 14.977 1.900 800 1HB GLN 96 2HB GLN 96 9.048 12.604 1.880 801 2HB GLN 96 3HB GLN 96 9.061 13.197 3.535 802 1HG GLN 96 2HG GLN 96 6.455 12.358 3.152 803 2HG GLN 96 3HG GLN 96 7.424 11.151 2.307 804 1HE2 GLN 96 1HE2 GLN 96 9.464 10.536 3.640 805 2HE2 GLN 96 2HE2 GLN 96 9.157 10.145 5.294 806 H GLY 97 H GLY 97 5.729 15.608 1.515 807 1HA GLY 97 2HA GLY 97 4.398 13.738 -0.091 808 2HA GLY 97 3HA GLY 97 4.145 15.477 -0.140 809 H LYS 98 H LYS 98 5.369 16.745 -1.601 810 HA LYS 98 HA LYS 98 6.319 17.212 -3.614 811 1HB LYS 98 2HB LYS 98 7.838 14.861 -2.640 812 2HB LYS 98 3HB LYS 98 7.991 15.230 -4.353 813 1HG LYS 98 2HG LYS 98 8.439 17.279 -2.202 814 2HG LYS 98 3HG LYS 98 9.723 16.245 -2.831 815 1HD LYS 98 2HD LYS 98 9.698 17.251 -4.907 816 2HD LYS 98 3HD LYS 98 8.028 17.798 -4.737 817 1HE LYS 98 2HE LYS 98 9.312 19.748 -4.549 818 2HE LYS 98 3HE LYS 98 8.901 19.325 -2.888 819 1HZ LYS 98 1HZ LYS 98 11.475 19.444 -4.165 820 2HZ LYS 98 2HZ LYS 98 11.234 18.020 -3.284 821 3HZ LYS 98 3HZ LYS 98 11.079 19.522 -2.522 822 H ILE 99 H ILE 99 4.036 16.764 -4.329 823 HA ILE 99 HA ILE 99 3.927 14.429 -6.120 824 HB ILE 99 HB ILE 99 1.503 14.621 -6.075 825 1HG1 ILE 99 2HG1 ILE 99 1.787 16.783 -3.993 826 2HG1 ILE 99 3HG1 ILE 99 1.581 17.152 -5.701 827 1HG2 ILE 99 1HG2 ILE 99 2.374 13.178 -4.423 828 2HG2 ILE 99 2HG2 ILE 99 2.867 14.525 -3.399 829 3HG2 ILE 99 3HG2 ILE 99 1.155 14.160 -3.610 830 1HD1 ILE 99 1HD1 ILE 99 -0.388 16.502 -3.745 831 2HD1 ILE 99 2HD1 ILE 99 -0.604 17.014 -5.419 832 3HD1 ILE 99 3HD1 ILE 99 -0.424 15.302 -5.037 833 H LYS 100 H LYS 100 2.516 14.820 -8.098 834 HA LYS 100 HA LYS 100 2.981 17.523 -9.171 835 1HB LYS 100 2HB LYS 100 3.142 15.040 -10.863 836 2HB LYS 100 3HB LYS 100 3.708 16.661 -11.245 837 1HG LYS 100 2HG LYS 100 5.143 16.014 -8.988 838 2HG LYS 100 3HG LYS 100 5.059 14.488 -9.872 839 1HD LYS 100 2HD LYS 100 6.979 15.501 -10.719 840 2HD LYS 100 3HD LYS 100 5.748 15.888 -11.923 841 1HE LYS 100 2HE LYS 100 5.440 18.088 -10.885 842 2HE LYS 100 3HE LYS 100 6.680 17.697 -9.694 843 1HZ LYS 100 1HZ LYS 100 8.274 17.476 -11.524 844 2HZ LYS 100 2HZ LYS 100 7.610 19.030 -11.450 845 3HZ LYS 100 3HZ LYS 100 7.078 17.938 -12.627 846 H ASP 101 H ASP 101 1.364 18.410 -10.379 847 HA ASP 101 HA ASP 101 -1.123 16.846 -10.557 848 1HB ASP 101 2HB ASP 101 -1.291 18.824 -9.120 849 2HB ASP 101 3HB ASP 101 -0.743 19.845 -10.447 850 H ARG 102 H ARG 102 -0.600 15.889 -12.559 851 HA ARG 102 HA ARG 102 0.106 17.441 -14.845 852 1HB ARG 102 2HB ARG 102 -0.842 14.603 -14.485 853 2HB ARG 102 3HB ARG 102 -0.524 15.288 -16.073 854 1HG ARG 102 2HG ARG 102 1.547 15.332 -13.908 855 2HG ARG 102 3HG ARG 102 1.327 13.930 -14.958 856 1HD ARG 102 2HD ARG 102 1.788 16.724 -15.984 857 2HD ARG 102 3HD ARG 102 3.088 15.568 -15.694 858 HE ARG 102 HE ARG 102 1.339 15.632 -17.931 859 1HH1 ARG 102 2HH1 ARG 102 3.063 13.464 -15.823 860 2HH1 ARG 102 1HH1 ARG 102 3.185 12.203 -17.005 861 1HH2 ARG 102 2HH2 ARG 102 1.493 13.980 -19.496 862 2HH2 ARG 102 1HH2 ARG 102 2.292 12.498 -19.094 863 HA PRO 103 HA PRO 103 -3.799 18.803 -16.313 864 1HB PRO 103 2HB PRO 103 -3.473 18.603 -19.000 865 2HB PRO 103 3HB PRO 103 -2.669 19.839 -18.024 866 1HG PRO 103 2HG PRO 103 -1.592 17.244 -19.058 867 2HG PRO 103 3HG PRO 103 -0.819 18.840 -19.017 868 1HD PRO 103 2HD PRO 103 -0.273 16.910 -17.197 869 2HD PRO 103 3HD PRO 103 -0.234 18.639 -16.797 870 H VAL 104 H VAL 104 -5.784 18.124 -17.177 871 HA VAL 104 HA VAL 104 -6.141 15.252 -17.226 872 HB VAL 104 HB VAL 104 -7.732 16.763 -16.038 873 1HG1 VAL 104 1HG1 VAL 104 -7.648 18.485 -17.932 874 2HG1 VAL 104 2HG1 VAL 104 -8.844 17.466 -18.735 875 3HG1 VAL 104 3HG1 VAL 104 -9.207 18.185 -17.166 876 1HG2 VAL 104 1HG2 VAL 104 -8.413 14.520 -16.625 877 2HG2 VAL 104 2HG2 VAL 104 -9.773 15.621 -16.841 878 3HG2 VAL 104 3HG2 VAL 104 -8.872 15.049 -18.244 879 H LYS 105 H LYS 105 -6.600 14.011 -18.960 880 HA LYS 105 HA LYS 105 -6.305 15.230 -21.587 881 1HB LYS 105 2HB LYS 105 -6.235 12.414 -20.551 882 2HB LYS 105 3HB LYS 105 -6.434 12.721 -22.271 883 1HG LYS 105 2HG LYS 105 -4.137 13.679 -20.575 884 2HG LYS 105 3HG LYS 105 -4.103 12.305 -21.682 885 1HD LYS 105 2HD LYS 105 -3.357 13.788 -23.191 886 2HD LYS 105 3HD LYS 105 -5.041 14.308 -23.288 887 1HE LYS 105 2HE LYS 105 -4.537 16.299 -22.435 888 2HE LYS 105 3HE LYS 105 -3.733 15.557 -21.052 889 1HZ LYS 105 1HZ LYS 105 -1.804 16.201 -21.887 890 2HZ LYS 105 2HZ LYS 105 -2.573 16.884 -23.230 891 3HZ LYS 105 3HZ LYS 105 -2.067 15.270 -23.276 892 H GLU 106 H GLU 106 -7.851 15.273 -23.158 893 HA GLU 106 HA GLU 106 -10.581 15.061 -22.309 894 1HB GLU 106 2HB GLU 106 -11.150 16.075 -24.336 895 2HB GLU 106 3HB GLU 106 -9.569 16.748 -23.969 896 1HG GLU 106 2HG GLU 106 -10.141 14.504 -25.890 897 2HG GLU 106 3HG GLU 106 -9.740 16.168 -26.313 898 H VAL 107 H VAL 107 -12.070 13.526 -22.778 899 HA VAL 107 HA VAL 107 -11.119 11.164 -24.265 900 HB VAL 107 HB VAL 107 -12.878 11.396 -21.846 901 1HG1 VAL 107 1HG1 VAL 107 -12.845 9.161 -23.859 902 2HG1 VAL 107 2HG1 VAL 107 -13.385 8.943 -22.194 903 3HG1 VAL 107 3HG1 VAL 107 -14.233 10.067 -23.257 904 1HG2 VAL 107 1HG2 VAL 107 -11.144 10.470 -20.807 905 2HG2 VAL 107 2HG2 VAL 107 -11.090 9.144 -21.968 906 3HG2 VAL 107 3HG2 VAL 107 -10.223 10.643 -22.301 907 H HIS 108 H HIS 108 -12.409 10.269 -25.819 908 HA HIS 108 HA HIS 108 -14.921 11.688 -26.420 909 1HB HIS 108 2HB HIS 108 -12.730 10.734 -28.241 910 2HB HIS 108 3HB HIS 108 -14.373 10.934 -28.845 911 HD1 HIS 108 HD1 HIS 108 -15.372 13.479 -28.253 912 HD2 HIS 108 HD2 HIS 108 -11.255 12.976 -28.503 913 HE1 HIS 108 HE1 HIS 108 -14.434 15.783 -28.623 914 H GLU 109 H GLU 109 -16.203 10.253 -28.128 915 HA GLU 109 HA GLU 109 -16.869 7.844 -26.713 916 1HB GLU 109 2HB GLU 109 -17.985 8.548 -29.405 917 2HB GLU 109 3HB GLU 109 -18.770 7.736 -28.058 918 1HG GLU 109 2HG GLU 109 -19.757 9.707 -27.724 919 2HG GLU 109 3HG GLU 109 -18.230 10.157 -26.965 920 H GLU 110 H GLU 110 -15.994 5.916 -27.029 921 HA GLU 110 HA GLU 110 -15.620 4.638 -29.449 922 1HB GLU 110 2HB GLU 110 -13.627 6.591 -29.057 923 2HB GLU 110 3HB GLU 110 -12.855 5.041 -28.755 924 1HG GLU 110 2HG GLU 110 -14.206 4.481 -31.022 925 2HG GLU 110 3HG GLU 110 -13.871 6.195 -31.257 926 H TYR 111 H TYR 111 -13.444 3.027 -29.042 927 HA TYR 111 HA TYR 111 -13.933 1.866 -26.379 928 1HB TYR 111 2HB TYR 111 -13.467 0.327 -28.940 929 2HB TYR 111 3HB TYR 111 -13.781 -0.360 -27.350 930 HD1 TYR 111 HD1 TYR 111 -15.248 1.182 -30.300 931 HD2 TYR 111 HD2 TYR 111 -16.029 -0.187 -26.348 932 HE1 TYR 111 HE1 TYR 111 -17.661 1.214 -30.772 933 HE2 TYR 111 HE2 TYR 111 -18.444 -0.160 -26.810 934 HH TYR 111 HH TYR 111 -19.945 -0.274 -28.774 935 H ASP 112 H ASP 112 -12.074 2.782 -25.501 936 HA ASP 112 HA ASP 112 -9.582 1.500 -26.366 937 1HB ASP 112 2HB ASP 112 -9.704 3.842 -27.270 938 2HB ASP 112 3HB ASP 112 -9.747 4.421 -25.606 939 H LEU 113 H LEU 113 -10.782 3.754 -23.871 940 HA LEU 113 HA LEU 113 -9.056 2.876 -21.847 941 1HB LEU 113 2HB LEU 113 -11.800 3.965 -21.321 942 2HB LEU 113 3HB LEU 113 -10.336 4.163 -20.361 943 HG LEU 113 HG LEU 113 -10.948 5.473 -23.009 944 1HD1 LEU 113 1HD1 LEU 113 -10.370 7.389 -21.103 945 2HD1 LEU 113 2HD1 LEU 113 -11.365 6.219 -20.238 946 3HD1 LEU 113 3HD1 LEU 113 -11.969 6.968 -21.716 947 1HD2 LEU 113 1HD2 LEU 113 -8.794 6.753 -22.322 948 2HD2 LEU 113 2HD2 LEU 113 -8.659 5.188 -23.123 949 3HD2 LEU 113 3HD2 LEU 113 -8.450 5.305 -21.375 950 H TRP 114 H TRP 114 -10.563 2.281 -19.640 951 HA TRP 114 HA TRP 114 -10.894 -0.498 -19.858 952 1HB TRP 114 2HB TRP 114 -11.376 1.553 -17.775 953 2HB TRP 114 3HB TRP 114 -12.276 0.048 -17.601 954 HD1 TRP 114 HD1 TRP 114 -8.893 1.541 -17.037 955 HE1 TRP 114 HE1 TRP 114 -7.283 -0.255 -16.138 956 HE3 TRP 114 HE3 TRP 114 -11.760 -2.609 -17.871 957 HZ2 TRP 114 HZ2 TRP 114 -7.235 -3.060 -15.825 958 HZ3 TRP 114 HZ3 TRP 114 -10.859 -4.811 -17.244 959 HH2 TRP 114 HH2 TRP 114 -8.643 -5.030 -16.243 960 H GLU 115 H GLU 115 -13.291 2.120 -19.701 961 HA GLU 115 HA GLU 115 -15.596 2.021 -19.883 962 1HB GLU 115 2HB GLU 115 -14.499 0.768 -22.395 963 2HB GLU 115 3HB GLU 115 -16.208 1.134 -22.201 964 1HG GLU 115 2HG GLU 115 -15.243 3.514 -21.557 965 2HG GLU 115 3HG GLU 115 -13.901 2.958 -22.557 966 H ASP 116 H ASP 116 -15.708 0.448 -18.058 967 HA ASP 116 HA ASP 116 -17.545 -1.574 -18.576 968 1HB ASP 116 2HB ASP 116 -16.131 -3.105 -19.501 969 2HB ASP 116 3HB ASP 116 -14.707 -2.411 -18.731 970 HA PRO 117 HA PRO 117 -15.982 -2.095 -14.045 971 1HB PRO 117 2HB PRO 117 -13.709 -0.790 -13.336 972 2HB PRO 117 3HB PRO 117 -13.709 -2.427 -14.004 973 1HG PRO 117 2HG PRO 117 -13.172 0.179 -15.376 974 2HG PRO 117 3HG PRO 117 -12.314 -1.365 -15.532 975 1HD PRO 117 2HD PRO 117 -14.136 -0.522 -17.349 976 2HD PRO 117 3HD PRO 117 -13.888 -2.239 -16.972 977 H ILE 118 H ILE 118 -14.609 1.073 -14.957 978 HA ILE 118 HA ILE 118 -16.085 2.391 -12.861 979 HB ILE 118 HB ILE 118 -14.886 4.327 -13.365 980 1HG1 ILE 118 2HG1 ILE 118 -15.502 4.373 -15.777 981 2HG1 ILE 118 3HG1 ILE 118 -13.821 4.809 -15.486 982 1HG2 ILE 118 1HG2 ILE 118 -13.107 2.032 -14.178 983 2HG2 ILE 118 2HG2 ILE 118 -12.557 3.617 -13.636 984 3HG2 ILE 118 3HG2 ILE 118 -13.435 2.563 -12.529 985 1HD1 ILE 118 1HD1 ILE 118 -13.948 3.388 -17.407 986 2HD1 ILE 118 2HD1 ILE 118 -13.173 2.500 -16.094 987 3HD1 ILE 118 3HD1 ILE 118 -14.857 2.176 -16.505 988 H TRP 119 H TRP 119 -16.662 1.579 -16.108 989 HA TRP 119 HA TRP 119 -18.223 3.726 -16.994 990 1HB TRP 119 2HB TRP 119 -17.416 1.885 -18.446 991 2HB TRP 119 3HB TRP 119 -18.566 0.797 -17.672 992 HD1 TRP 119 HD1 TRP 119 -21.005 0.791 -18.577 993 HE1 TRP 119 HE1 TRP 119 -22.227 2.056 -20.456 994 HE3 TRP 119 HE3 TRP 119 -17.437 4.291 -19.652 995 HZ2 TRP 119 HZ2 TRP 119 -21.743 4.248 -22.168 996 HZ3 TRP 119 HZ3 TRP 119 -17.895 5.936 -21.424 997 HH2 TRP 119 HH2 TRP 119 -20.003 5.913 -22.655 998 H GLN 120 H GLN 120 -18.900 1.207 -14.724 999 HA GLN 120 HA GLN 120 -21.627 2.264 -14.420 1000 1HB GLN 120 2HB GLN 120 -21.498 -0.023 -15.549 1001 2HB GLN 120 3HB GLN 120 -20.938 -0.639 -14.000 1002 1HG GLN 120 2HG GLN 120 -22.994 0.030 -12.939 1003 2HG GLN 120 3HG GLN 120 -23.550 0.791 -14.428 1004 1HE2 GLN 120 1HE2 GLN 120 -25.359 -0.755 -13.757 1005 2HE2 GLN 120 2HE2 GLN 120 -25.312 -2.325 -14.476 1006 H TYR 121 H TYR 121 -19.531 -0.086 -12.745 1007 HA TYR 121 HA TYR 121 -20.369 0.904 -10.176 1008 1HB TYR 121 2HB TYR 121 -18.630 -1.311 -11.156 1009 2HB TYR 121 3HB TYR 121 -18.400 -0.753 -9.503 1010 HD1 TYR 121 HD1 TYR 121 -19.337 -2.292 -8.058 1011 HD2 TYR 121 HD2 TYR 121 -21.466 -1.233 -11.586 1012 HE1 TYR 121 HE1 TYR 121 -21.232 -3.677 -7.323 1013 HE2 TYR 121 HE2 TYR 121 -23.367 -2.615 -10.860 1014 HH TYR 121 HH TYR 121 -23.805 -3.678 -7.799 1015 H ILE 122 H ILE 122 -18.474 1.164 -8.499 1016 HA ILE 122 HA ILE 122 -17.246 3.597 -8.952 1017 HB ILE 122 HB ILE 122 -16.303 1.421 -7.082 1018 1HG1 ILE 122 2HG1 ILE 122 -18.014 3.799 -6.381 1019 2HG1 ILE 122 3HG1 ILE 122 -18.724 2.278 -6.914 1020 1HG2 ILE 122 1HG2 ILE 122 -15.599 3.657 -5.834 1021 2HG2 ILE 122 2HG2 ILE 122 -14.537 2.850 -6.987 1022 3HG2 ILE 122 3HG2 ILE 122 -15.493 4.242 -7.494 1023 1HD1 ILE 122 1HD1 ILE 122 -17.813 3.028 -4.324 1024 2HD1 ILE 122 2HD1 ILE 122 -18.632 1.551 -4.833 1025 3HD1 ILE 122 3HD1 ILE 122 -16.872 1.648 -4.892 Start of MODEL 6 1 H MET 1 H MET 1 3.214 -7.335 -1.531 2 HA MET 1 HA MET 1 3.061 -7.100 -4.225 3 1HB MET 1 2HB MET 1 1.254 -8.864 -4.140 4 2HB MET 1 3HB MET 1 2.721 -9.239 -3.246 5 1HG MET 1 2HG MET 1 1.563 -8.437 -1.181 6 2HG MET 1 3HG MET 1 0.085 -8.321 -2.133 7 1HE MET 1 1HE MET 1 1.253 -10.463 0.576 8 2HE MET 1 2HE MET 1 -0.323 -9.746 0.239 9 3HE MET 1 3HE MET 1 -0.144 -11.501 0.290 10 H GLN 2 H GLN 2 2.296 -4.631 -3.735 11 HA GLN 2 HA GLN 2 -0.597 -4.528 -4.267 12 1HB GLN 2 2HB GLN 2 1.216 -2.319 -3.280 13 2HB GLN 2 3HB GLN 2 -0.526 -2.210 -3.498 14 1HG GLN 2 2HG GLN 2 -0.976 -3.328 -1.592 15 2HG GLN 2 3HG GLN 2 0.438 -4.370 -1.738 16 1HE2 GLN 2 1HE2 GLN 2 2.064 -3.996 -0.410 17 2HE2 GLN 2 2HE2 GLN 2 2.330 -2.542 0.484 18 H LYS 3 H LYS 3 2.439 -2.881 -5.149 19 HA LYS 3 HA LYS 3 1.308 -1.701 -7.496 20 1HB LYS 3 2HB LYS 3 3.457 -0.790 -7.895 21 2HB LYS 3 3HB LYS 3 3.256 -0.792 -6.148 22 1HG LYS 3 2HG LYS 3 5.318 -1.678 -6.183 23 2HG LYS 3 3HG LYS 3 4.444 -3.182 -6.483 24 1HD LYS 3 2HD LYS 3 5.073 -3.270 -8.671 25 2HD LYS 3 3HD LYS 3 5.126 -1.513 -8.838 26 1HE LYS 3 2HE LYS 3 7.219 -1.428 -7.627 27 2HE LYS 3 3HE LYS 3 7.147 -3.163 -7.323 28 1HZ LYS 3 1HZ LYS 3 6.936 -2.569 -10.102 29 2HZ LYS 3 2HZ LYS 3 8.027 -3.583 -9.302 30 3HZ LYS 3 3HZ LYS 3 8.359 -1.930 -9.446 31 H GLY 4 H GLY 4 2.299 -2.055 -9.684 32 1HA GLY 4 2HA GLY 4 3.232 -3.467 -11.323 33 2HA GLY 4 3HA GLY 4 3.269 -4.771 -10.146 34 H LEU 5 H LEU 5 0.351 -2.971 -10.393 35 HA LEU 5 HA LEU 5 -0.835 -4.978 -12.174 36 1HB LEU 5 2HB LEU 5 -1.401 -4.558 -9.341 37 2HB LEU 5 3HB LEU 5 -2.839 -4.505 -10.359 38 HG LEU 5 HG LEU 5 -2.541 -6.729 -9.478 39 1HD1 LEU 5 1HD1 LEU 5 -1.643 -7.076 -12.289 40 2HD1 LEU 5 2HD1 LEU 5 -3.144 -6.201 -11.990 41 3HD1 LEU 5 3HD1 LEU 5 -2.961 -7.858 -11.415 42 1HD2 LEU 5 1HD2 LEU 5 -0.068 -7.307 -10.951 43 2HD2 LEU 5 2HD2 LEU 5 -0.591 -7.838 -9.352 44 3HD2 LEU 5 3HD2 LEU 5 0.125 -6.240 -9.560 45 H GLU 6 H GLU 6 -2.920 -4.326 -13.065 46 HA GLU 6 HA GLU 6 -2.998 -1.431 -13.484 47 1HB GLU 6 2HB GLU 6 -4.536 -3.545 -14.991 48 2HB GLU 6 3HB GLU 6 -4.254 -1.878 -15.472 49 1HG GLU 6 2HG GLU 6 -1.942 -2.301 -15.859 50 2HG GLU 6 3HG GLU 6 -2.064 -3.911 -15.150 51 H ILE 7 H ILE 7 -4.508 -0.201 -12.582 52 HA ILE 7 HA ILE 7 -7.082 -1.391 -11.840 53 HB ILE 7 HB ILE 7 -6.941 0.081 -9.716 54 1HG1 ILE 7 2HG1 ILE 7 -4.628 0.954 -10.660 55 2HG1 ILE 7 3HG1 ILE 7 -4.886 0.762 -8.929 56 1HG2 ILE 7 1HG2 ILE 7 -7.140 -2.225 -9.421 57 2HG2 ILE 7 2HG2 ILE 7 -5.560 -2.545 -10.134 58 3HG2 ILE 7 3HG2 ILE 7 -5.672 -1.812 -8.535 59 1HD1 ILE 7 1HD1 ILE 7 -3.759 -1.511 -10.481 60 2HD1 ILE 7 2HD1 ILE 7 -2.724 -0.144 -10.070 61 3HD1 ILE 7 3HD1 ILE 7 -3.517 -1.065 -8.792 62 H ALA 8 H ALA 8 -8.823 0.024 -11.852 63 HA ALA 8 HA ALA 8 -8.259 2.752 -12.816 64 1HB ALA 8 1HB ALA 8 -9.039 1.498 -14.697 65 2HB ALA 8 2HB ALA 8 -10.397 0.856 -13.772 66 3HB ALA 8 3HB ALA 8 -10.339 2.571 -14.179 67 H PHE 9 H PHE 9 -9.641 4.390 -12.123 68 HA PHE 9 HA PHE 9 -11.696 3.675 -10.160 69 1HB PHE 9 2HB PHE 9 -9.685 4.158 -8.859 70 2HB PHE 9 3HB PHE 9 -9.496 5.698 -9.690 71 HD1 PHE 9 HD1 PHE 9 -12.250 3.910 -7.909 72 HD2 PHE 9 HD2 PHE 9 -10.053 7.518 -8.427 73 HE1 PHE 9 HE1 PHE 9 -13.640 4.998 -6.194 74 HE2 PHE 9 HE2 PHE 9 -11.438 8.612 -6.712 75 HZ PHE 9 HZ PHE 9 -13.234 7.351 -5.593 76 H GLN 10 H GLN 10 -13.476 4.949 -10.201 77 HA GLN 10 HA GLN 10 -13.439 7.207 -12.092 78 1HB GLN 10 2HB GLN 10 -15.991 6.735 -12.120 79 2HB GLN 10 3HB GLN 10 -14.917 5.683 -13.032 80 1HG GLN 10 2HG GLN 10 -16.564 4.371 -11.868 81 2HG GLN 10 3HG GLN 10 -14.965 4.061 -11.195 82 1HE2 GLN 10 1HE2 GLN 10 -17.987 5.774 -10.689 83 2HE2 GLN 10 2HE2 GLN 10 -17.850 5.892 -8.971 84 H THR 11 H THR 11 -14.944 8.977 -11.618 85 HA THR 11 HA THR 11 -15.764 9.251 -8.836 86 HB THR 11 HB THR 11 -13.867 10.363 -8.328 87 HG1 THR 11 HG1 THR 11 -14.609 12.550 -9.900 88 1HG2 THR 11 1HG2 THR 11 -12.464 9.900 -10.097 89 2HG2 THR 11 2HG2 THR 11 -12.599 11.654 -10.233 90 3HG2 THR 11 3HG2 THR 11 -13.554 10.611 -11.286 91 H ILE 12 H ILE 12 -17.787 9.950 -8.889 92 HA ILE 12 HA ILE 12 -18.511 12.108 -10.726 93 HB ILE 12 HB ILE 12 -20.383 9.783 -10.415 94 1HG1 ILE 12 2HG1 ILE 12 -19.441 9.315 -12.865 95 2HG1 ILE 12 3HG1 ILE 12 -17.982 10.008 -12.167 96 1HG2 ILE 12 1HG2 ILE 12 -20.080 11.939 -12.502 97 2HG2 ILE 12 2HG2 ILE 12 -21.295 10.661 -12.520 98 3HG2 ILE 12 3HG2 ILE 12 -21.307 11.872 -11.237 99 1HD1 ILE 12 1HD1 ILE 12 -19.038 8.100 -10.346 100 2HD1 ILE 12 2HD1 ILE 12 -18.947 7.372 -11.950 101 3HD1 ILE 12 3HD1 ILE 12 -17.506 8.075 -11.217 102 H ASN 13 H ASN 13 -20.383 13.294 -10.093 103 HA ASN 13 HA ASN 13 -21.719 14.353 -8.588 104 1HB ASN 13 2HB ASN 13 -23.164 12.555 -8.401 105 2HB ASN 13 3HB ASN 13 -21.924 11.491 -7.744 106 1HD2 ASN 13 1HD2 ASN 13 -22.882 10.833 -5.915 107 2HD2 ASN 13 2HD2 ASN 13 -23.374 11.880 -4.632 108 H GLY 14 H GLY 14 -20.582 15.830 -7.484 109 1HA GLY 14 2HA GLY 14 -19.940 16.543 -5.268 110 2HA GLY 14 3HA GLY 14 -19.282 14.937 -4.993 111 H LEU 15 H LEU 15 -17.252 15.691 -4.400 112 HA LEU 15 HA LEU 15 -15.617 16.633 -6.648 113 1HB LEU 15 2HB LEU 15 -15.333 17.677 -3.838 114 2HB LEU 15 3HB LEU 15 -14.451 18.206 -5.270 115 HG LEU 15 HG LEU 15 -17.427 18.548 -4.995 116 1HD1 LEU 15 1HD1 LEU 15 -16.336 19.669 -3.112 117 2HD1 LEU 15 2HD1 LEU 15 -17.013 20.825 -4.259 118 3HD1 LEU 15 3HD1 LEU 15 -15.276 20.520 -4.237 119 1HD2 LEU 15 1HD2 LEU 15 -16.773 18.797 -7.232 120 2HD2 LEU 15 2HD2 LEU 15 -15.293 19.651 -6.797 121 3HD2 LEU 15 3HD2 LEU 15 -16.858 20.444 -6.606 122 H ASP 16 H ASP 16 -15.174 14.282 -6.657 123 HA ASP 16 HA ASP 16 -13.733 13.107 -4.485 124 1HB ASP 16 2HB ASP 16 -15.054 12.107 -6.659 125 2HB ASP 16 3HB ASP 16 -13.374 11.908 -7.149 126 H GLU 17 H GLU 17 -12.869 15.435 -6.649 127 HA GLU 17 HA GLU 17 -10.406 14.804 -7.670 128 1HB GLU 17 2HB GLU 17 -11.119 17.452 -6.398 129 2HB GLU 17 3HB GLU 17 -9.883 17.175 -7.617 130 1HG GLU 17 2HG GLU 17 -11.696 16.418 -9.162 131 2HG GLU 17 3HG GLU 17 -12.861 16.950 -7.951 132 H SER 18 H SER 18 -11.254 15.481 -4.353 133 HA SER 18 HA SER 18 -8.704 15.983 -3.310 134 1HB SER 18 2HB SER 18 -10.777 16.380 -2.043 135 2HB SER 18 3HB SER 18 -11.057 14.641 -1.954 136 HG SER 18 HG SER 18 -9.186 14.443 -0.717 137 H LEU 19 H LEU 19 -10.480 12.934 -3.690 138 HA LEU 19 HA LEU 19 -8.400 11.328 -2.578 139 1HB LEU 19 2HB LEU 19 -10.610 10.482 -2.474 140 2HB LEU 19 3HB LEU 19 -10.848 10.700 -4.206 141 HG LEU 19 HG LEU 19 -9.267 8.878 -4.646 142 1HD1 LEU 19 1HD1 LEU 19 -7.773 8.939 -2.837 143 2HD1 LEU 19 2HD1 LEU 19 -8.664 7.429 -2.647 144 3HD1 LEU 19 3HD1 LEU 19 -9.073 8.825 -1.650 145 1HD2 LEU 19 1HD2 LEU 19 -11.829 8.635 -3.997 146 2HD2 LEU 19 2HD2 LEU 19 -11.141 7.699 -2.670 147 3HD2 LEU 19 3HD2 LEU 19 -10.812 7.236 -4.340 148 H VAL 20 H VAL 20 -9.450 12.081 -5.879 149 HA VAL 20 HA VAL 20 -7.662 10.406 -7.239 150 HB VAL 20 HB VAL 20 -8.637 13.083 -8.235 151 1HG1 VAL 20 1HG1 VAL 20 -8.580 11.815 -10.431 152 2HG1 VAL 20 2HG1 VAL 20 -7.018 12.212 -9.713 153 3HG1 VAL 20 3HG1 VAL 20 -7.661 10.576 -9.577 154 1HG2 VAL 20 1HG2 VAL 20 -10.053 10.471 -7.925 155 2HG2 VAL 20 2HG2 VAL 20 -10.639 12.107 -7.624 156 3HG2 VAL 20 3HG2 VAL 20 -10.453 11.528 -9.280 157 H GLN 21 H GLN 21 -7.342 13.805 -6.256 158 HA GLN 21 HA GLN 21 -4.734 14.123 -7.347 159 1HB GLN 21 2HB GLN 21 -6.352 15.706 -5.362 160 2HB GLN 21 3HB GLN 21 -4.709 16.161 -5.792 161 1HG GLN 21 2HG GLN 21 -5.461 16.219 -8.186 162 2HG GLN 21 3HG GLN 21 -7.110 16.027 -7.593 163 1HE2 GLN 21 1HE2 GLN 21 -7.521 18.067 -8.623 164 2HE2 GLN 21 2HE2 GLN 21 -7.112 19.537 -7.814 165 H ALA 22 H ALA 22 -5.976 13.326 -4.139 166 HA ALA 22 HA ALA 22 -3.515 13.426 -2.769 167 1HB ALA 22 1HB ALA 22 -5.497 13.461 -1.478 168 2HB ALA 22 2HB ALA 22 -6.078 11.958 -2.198 169 3HB ALA 22 3HB ALA 22 -4.692 11.936 -1.107 170 H LEU 23 H LEU 23 -5.302 10.647 -4.111 171 HA LEU 23 HA LEU 23 -3.328 8.729 -3.507 172 1HB LEU 23 2HB LEU 23 -4.593 7.222 -4.745 173 2HB LEU 23 3HB LEU 23 -5.777 8.376 -4.136 174 HG LEU 23 HG LEU 23 -5.358 9.498 -6.499 175 1HD1 LEU 23 1HD1 LEU 23 -3.738 7.316 -6.770 176 2HD1 LEU 23 2HD1 LEU 23 -4.438 8.238 -8.100 177 3HD1 LEU 23 3HD1 LEU 23 -5.231 6.769 -7.532 178 1HD2 LEU 23 1HD2 LEU 23 -7.337 8.429 -7.277 179 2HD2 LEU 23 2HD2 LEU 23 -7.481 8.589 -5.526 180 3HD2 LEU 23 3HD2 LEU 23 -7.064 7.030 -6.238 181 H ALA 24 H ALA 24 -3.853 10.805 -6.294 182 HA ALA 24 HA ALA 24 -1.997 9.578 -8.031 183 1HB ALA 24 1HB ALA 24 -2.047 11.760 -9.238 184 2HB ALA 24 2HB ALA 24 -3.639 11.066 -8.929 185 3HB ALA 24 3HB ALA 24 -3.050 12.399 -7.936 186 H GLY 25 H GLY 25 -1.684 12.226 -5.692 187 1HA GLY 25 2HA GLY 25 1.011 12.853 -6.325 188 2HA GLY 25 3HA GLY 25 0.166 13.299 -4.850 189 H VAL 26 H VAL 26 -0.401 10.917 -3.691 190 HA VAL 26 HA VAL 26 2.017 10.213 -2.466 191 HB VAL 26 HB VAL 26 -0.139 9.889 -1.364 192 1HG1 VAL 26 1HG1 VAL 26 -0.574 7.610 -3.290 193 2HG1 VAL 26 2HG1 VAL 26 -1.651 8.117 -1.987 194 3HG1 VAL 26 3HG1 VAL 26 -1.388 9.172 -3.376 195 1HG2 VAL 26 1HG2 VAL 26 0.313 7.763 -0.334 196 2HG2 VAL 26 2HG2 VAL 26 1.274 7.248 -1.720 197 3HG2 VAL 26 3HG2 VAL 26 1.847 8.558 -0.688 198 H THR 27 H THR 27 0.223 8.711 -5.103 199 HA THR 27 HA THR 27 1.771 6.351 -5.270 200 HB THR 27 HB THR 27 0.871 6.258 -7.651 201 HG1 THR 27 HG1 THR 27 0.333 8.264 -8.233 202 1HG2 THR 27 1HG2 THR 27 -1.593 6.167 -6.716 203 2HG2 THR 27 2HG2 THR 27 -0.773 6.349 -5.165 204 3HG2 THR 27 3HG2 THR 27 -0.388 4.984 -6.212 205 H ALA 28 H ALA 28 1.849 9.330 -7.229 206 HA ALA 28 HA ALA 28 4.050 8.643 -8.809 207 1HB ALA 28 1HB ALA 28 2.912 11.298 -7.987 208 2HB ALA 28 2HB ALA 28 4.297 11.162 -9.071 209 3HB ALA 28 3HB ALA 28 2.746 10.459 -9.529 210 H SER 29 H SER 29 3.863 9.999 -5.585 211 HA SER 29 HA SER 29 6.624 10.729 -5.430 212 1HB SER 29 2HB SER 29 6.194 11.239 -3.131 213 2HB SER 29 3HB SER 29 4.761 11.725 -4.036 214 HG SER 29 HG SER 29 4.998 9.901 -2.056 215 H ASP 30 H ASP 30 4.704 7.953 -4.386 216 HA ASP 30 HA ASP 30 6.888 6.637 -3.088 217 1HB ASP 30 2HB ASP 30 5.328 5.165 -2.384 218 2HB ASP 30 3HB ASP 30 4.174 6.331 -3.025 219 H PHE 31 H PHE 31 5.907 6.987 -6.328 220 HA PHE 31 HA PHE 31 7.571 4.696 -7.138 221 1HB PHE 31 2HB PHE 31 5.257 6.040 -8.537 222 2HB PHE 31 3HB PHE 31 6.331 4.899 -9.340 223 HD1 PHE 31 HD1 PHE 31 3.221 5.095 -8.105 224 HD2 PHE 31 HD2 PHE 31 6.734 2.756 -7.555 225 HE1 PHE 31 HE1 PHE 31 1.845 3.229 -7.279 226 HE2 PHE 31 HE2 PHE 31 5.364 0.887 -6.729 227 HZ PHE 31 HZ PHE 31 2.917 1.121 -6.590 228 HA PRO 32 HA PRO 32 9.848 8.580 -8.308 229 1HB PRO 32 2HB PRO 32 12.258 7.726 -7.395 230 2HB PRO 32 3HB PRO 32 11.077 8.546 -6.367 231 1HG PRO 32 2HG PRO 32 11.653 5.620 -6.629 232 2HG PRO 32 3HG PRO 32 11.365 6.577 -5.164 233 1HD PRO 32 2HD PRO 32 9.450 5.032 -6.295 234 2HD PRO 32 3HD PRO 32 9.077 6.543 -5.440 235 H ASP 33 H ASP 33 10.137 5.202 -8.928 236 HA ASP 33 HA ASP 33 12.285 5.165 -10.726 237 1HB ASP 33 2HB ASP 33 10.981 3.195 -9.688 238 2HB ASP 33 3HB ASP 33 9.862 3.407 -11.032 239 H LEU 34 H LEU 34 9.166 6.510 -11.025 240 HA LEU 34 HA LEU 34 8.129 7.643 -12.703 241 1HB LEU 34 2HB LEU 34 10.935 7.755 -13.342 242 2HB LEU 34 3HB LEU 34 9.967 7.691 -14.814 243 HG LEU 34 HG LEU 34 8.723 9.614 -13.225 244 1HD1 LEU 34 1HD1 LEU 34 11.692 9.652 -12.902 245 2HD1 LEU 34 2HD1 LEU 34 10.429 9.985 -11.717 246 3HD1 LEU 34 3HD1 LEU 34 10.790 11.166 -12.976 247 1HD2 LEU 34 1HD2 LEU 34 9.098 10.984 -15.027 248 2HD2 LEU 34 2HD2 LEU 34 9.336 9.400 -15.765 249 3HD2 LEU 34 3HD2 LEU 34 10.730 10.373 -15.293 250 H ASP 35 H ASP 35 8.591 4.569 -12.666 251 HA ASP 35 HA ASP 35 8.044 3.920 -15.451 252 1HB ASP 35 2HB ASP 35 8.027 1.554 -14.592 253 2HB ASP 35 3HB ASP 35 9.543 2.415 -14.346 254 H ILE 36 H ILE 36 6.262 5.022 -12.941 255 HA ILE 36 HA ILE 36 3.989 3.302 -13.046 256 HB ILE 36 HB ILE 36 4.305 4.629 -11.076 257 1HG1 ILE 36 2HG1 ILE 36 1.978 5.937 -12.468 258 2HG1 ILE 36 3HG1 ILE 36 1.951 4.228 -12.046 259 1HG2 ILE 36 1HG2 ILE 36 4.899 6.705 -12.974 260 2HG2 ILE 36 2HG2 ILE 36 3.700 7.257 -11.806 261 3HG2 ILE 36 3HG2 ILE 36 5.251 6.631 -11.248 262 1HD1 ILE 36 1HD1 ILE 36 2.733 5.953 -9.835 263 2HD1 ILE 36 2HD1 ILE 36 1.112 6.275 -10.452 264 3HD1 ILE 36 3HD1 ILE 36 1.541 4.656 -9.901 265 H LYS 37 H LYS 37 2.291 3.310 -14.385 266 HA LYS 37 HA LYS 37 2.157 5.445 -16.409 267 1HB LYS 37 2HB LYS 37 1.703 2.511 -16.513 268 2HB LYS 37 3HB LYS 37 0.659 3.513 -17.512 269 1HG LYS 37 2HG LYS 37 2.513 2.812 -18.834 270 2HG LYS 37 3HG LYS 37 2.696 4.537 -18.506 271 1HD LYS 37 2HD LYS 37 3.968 3.028 -16.431 272 2HD LYS 37 3HD LYS 37 4.543 2.467 -18.003 273 1HE LYS 37 2HE LYS 37 4.411 5.383 -17.283 274 2HE LYS 37 3HE LYS 37 5.817 4.386 -16.915 275 1HZ LYS 37 1HZ LYS 37 6.322 5.323 -18.957 276 2HZ LYS 37 2HZ LYS 37 4.747 5.160 -19.553 277 3HZ LYS 37 3HZ LYS 37 5.735 3.796 -19.390 278 H TYR 38 H TYR 38 0.956 6.671 -14.743 279 HA TYR 38 HA TYR 38 -1.883 5.880 -14.704 280 1HB TYR 38 2HB TYR 38 -1.390 5.753 -12.459 281 2HB TYR 38 3HB TYR 38 -0.131 6.978 -12.555 282 HD1 TYR 38 HD1 TYR 38 -3.827 6.550 -12.689 283 HD2 TYR 38 HD2 TYR 38 -0.572 9.168 -11.877 284 HE1 TYR 38 HE1 TYR 38 -5.400 8.226 -11.814 285 HE2 TYR 38 HE2 TYR 38 -2.137 10.850 -10.999 286 HH TYR 38 HH TYR 38 -5.496 10.136 -10.468 287 H ASN 39 H ASN 39 -3.430 7.531 -14.925 288 HA ASN 39 HA ASN 39 -2.627 10.256 -15.368 289 1HB ASN 39 2HB ASN 39 -2.296 8.732 -17.556 290 2HB ASN 39 3HB ASN 39 -4.002 9.123 -17.745 291 1HD2 ASN 39 1HD2 ASN 39 -1.104 10.872 -16.671 292 2HD2 ASN 39 2HD2 ASN 39 -1.337 12.234 -17.709 293 H ILE 40 H ILE 40 -4.434 11.688 -15.652 294 HA ILE 40 HA ILE 40 -7.013 10.470 -14.908 295 HB ILE 40 HB ILE 40 -7.053 13.146 -14.058 296 1HG1 ILE 40 2HG1 ILE 40 -4.525 11.727 -13.193 297 2HG1 ILE 40 3HG1 ILE 40 -4.611 13.188 -14.171 298 1HG2 ILE 40 1HG2 ILE 40 -7.461 10.510 -13.026 299 2HG2 ILE 40 2HG2 ILE 40 -6.614 11.488 -11.830 300 3HG2 ILE 40 3HG2 ILE 40 -8.157 12.037 -12.485 301 1HD1 ILE 40 1HD1 ILE 40 -4.975 12.824 -11.262 302 2HD1 ILE 40 2HD1 ILE 40 -4.207 14.134 -12.160 303 3HD1 ILE 40 3HD1 ILE 40 -5.965 14.048 -12.057 304 H PHE 41 H PHE 41 -8.532 10.744 -16.389 305 HA PHE 41 HA PHE 41 -8.502 13.197 -18.013 306 1HB PHE 41 2HB PHE 41 -9.511 11.648 -19.845 307 2HB PHE 41 3HB PHE 41 -7.770 11.646 -19.587 308 HD1 PHE 41 HD1 PHE 41 -6.653 9.660 -19.145 309 HD2 PHE 41 HD2 PHE 41 -10.878 9.836 -18.663 310 HE1 PHE 41 HE1 PHE 41 -6.709 7.227 -18.784 311 HE2 PHE 41 HE2 PHE 41 -10.941 7.404 -18.300 312 HZ PHE 41 HZ PHE 41 -8.855 6.096 -18.359 313 H LEU 42 H LEU 42 -10.521 14.007 -18.644 314 HA LEU 42 HA LEU 42 -12.775 12.951 -17.075 315 1HB LEU 42 2HB LEU 42 -11.862 15.337 -16.744 316 2HB LEU 42 3HB LEU 42 -12.652 15.695 -18.279 317 HG LEU 42 HG LEU 42 -14.163 14.539 -15.953 318 1HD1 LEU 42 1HD1 LEU 42 -13.038 16.619 -15.237 319 2HD1 LEU 42 2HD1 LEU 42 -14.794 16.768 -15.294 320 3HD1 LEU 42 3HD1 LEU 42 -13.808 17.466 -16.578 321 1HD2 LEU 42 1HD2 LEU 42 -15.984 15.890 -17.187 322 2HD2 LEU 42 2HD2 LEU 42 -15.447 14.359 -17.880 323 3HD2 LEU 42 3HD2 LEU 42 -14.852 15.882 -18.540 324 H VAL 43 H VAL 43 -14.493 12.149 -18.096 325 HA VAL 43 HA VAL 43 -14.620 12.420 -21.016 326 HB VAL 43 HB VAL 43 -15.594 10.361 -21.149 327 1HG1 VAL 43 1HG1 VAL 43 -13.408 10.402 -19.657 328 2HG1 VAL 43 2HG1 VAL 43 -14.516 9.747 -18.451 329 3HG1 VAL 43 3HG1 VAL 43 -14.282 8.905 -19.983 330 1HG2 VAL 43 1HG2 VAL 43 -16.775 10.918 -18.440 331 2HG2 VAL 43 2HG2 VAL 43 -17.611 10.762 -19.985 332 3HG2 VAL 43 3HG2 VAL 43 -16.892 9.343 -19.224 333 H ASP 44 H ASP 44 -16.358 13.271 -22.045 334 HA ASP 44 HA ASP 44 -18.659 14.099 -20.414 335 1HB ASP 44 2HB ASP 44 -18.640 16.174 -22.031 336 2HB ASP 44 3HB ASP 44 -17.634 16.161 -20.585 337 H LEU 45 H LEU 45 -20.343 13.017 -21.190 338 HA LEU 45 HA LEU 45 -20.972 13.193 -24.015 339 1HB LEU 45 2HB LEU 45 -19.698 10.919 -23.024 340 2HB LEU 45 3HB LEU 45 -21.398 10.472 -23.146 341 HG LEU 45 HG LEU 45 -20.063 9.866 -25.141 342 1HD1 LEU 45 1HD1 LEU 45 -21.863 11.892 -26.247 343 2HD1 LEU 45 2HD1 LEU 45 -22.591 10.864 -25.014 344 3HD1 LEU 45 3HD1 LEU 45 -21.861 10.139 -26.446 345 1HD2 LEU 45 1HD2 LEU 45 -19.890 12.834 -25.631 346 2HD2 LEU 45 2HD2 LEU 45 -19.221 11.539 -26.624 347 3HD2 LEU 45 3HD2 LEU 45 -18.556 11.855 -25.020 348 H TYR 46 H TYR 46 -23.172 12.679 -24.493 349 HA TYR 46 HA TYR 46 -25.412 12.666 -24.100 350 1HB TYR 46 2HB TYR 46 -24.707 11.478 -21.411 351 2HB TYR 46 3HB TYR 46 -26.266 11.397 -22.223 352 HD1 TYR 46 HD1 TYR 46 -23.126 9.791 -21.727 353 HD2 TYR 46 HD2 TYR 46 -26.344 10.168 -24.485 354 HE1 TYR 46 HE1 TYR 46 -22.450 7.681 -22.796 355 HE2 TYR 46 HE2 TYR 46 -25.678 8.059 -25.560 356 HH TYR 46 HH TYR 46 -22.694 6.466 -24.789 357 H GLY 47 H GLY 47 -23.793 14.969 -23.396 358 1HA GLY 47 2HA GLY 47 -24.128 17.044 -22.468 359 2HA GLY 47 3HA GLY 47 -25.765 16.523 -22.099 360 H GLN 48 H GLN 48 -23.134 14.656 -20.868 361 HA GLN 48 HA GLN 48 -23.412 15.940 -18.237 362 1HB GLN 48 2HB GLN 48 -23.502 12.981 -18.834 363 2HB GLN 48 3HB GLN 48 -23.304 13.647 -17.219 364 1HG GLN 48 2HG GLN 48 -25.640 14.369 -18.952 365 2HG GLN 48 3HG GLN 48 -25.640 12.932 -17.930 366 1HE2 GLN 48 1HE2 GLN 48 -25.716 16.394 -18.014 367 2HE2 GLN 48 2HE2 GLN 48 -26.120 16.633 -16.351 368 H LYS 49 H LYS 49 -21.625 15.551 -16.777 369 HA LYS 49 HA LYS 49 -19.121 14.938 -18.206 370 1HB LYS 49 2HB LYS 49 -19.649 16.963 -16.028 371 2HB LYS 49 3HB LYS 49 -18.038 16.514 -16.571 372 1HG LYS 49 2HG LYS 49 -18.258 18.248 -17.960 373 2HG LYS 49 3HG LYS 49 -19.235 17.140 -18.926 374 1HD LYS 49 2HD LYS 49 -21.002 18.460 -18.660 375 2HD LYS 49 3HD LYS 49 -20.898 18.255 -16.910 376 1HE LYS 49 2HE LYS 49 -19.084 20.064 -17.003 377 2HE LYS 49 3HE LYS 49 -19.680 20.395 -18.629 378 1HZ LYS 49 1HZ LYS 49 -20.634 21.611 -16.501 379 2HZ LYS 49 2HZ LYS 49 -21.657 20.264 -16.488 380 3HZ LYS 49 3HZ LYS 49 -21.600 21.269 -17.848 381 H TYR 50 H TYR 50 -17.595 13.678 -17.191 382 HA TYR 50 HA TYR 50 -18.088 12.764 -14.468 383 1HB TYR 50 2HB TYR 50 -17.719 10.763 -16.698 384 2HB TYR 50 3HB TYR 50 -18.103 10.436 -15.012 385 HD1 TYR 50 HD1 TYR 50 -19.446 11.855 -18.157 386 HD2 TYR 50 HD2 TYR 50 -20.345 10.425 -14.252 387 HE1 TYR 50 HE1 TYR 50 -21.843 11.879 -18.707 388 HE2 TYR 50 HE2 TYR 50 -22.745 10.444 -14.791 389 HH TYR 50 HH TYR 50 -23.926 10.708 -17.912 390 H PHE 51 H PHE 51 -16.265 11.933 -13.431 391 HA PHE 51 HA PHE 51 -13.737 12.533 -14.797 392 1HB PHE 51 2HB PHE 51 -14.437 12.330 -11.864 393 2HB PHE 51 3HB PHE 51 -12.790 12.520 -12.458 394 HD1 PHE 51 HD1 PHE 51 -11.929 14.641 -12.556 395 HD2 PHE 51 HD2 PHE 51 -16.142 14.112 -12.848 396 HE1 PHE 51 HE1 PHE 51 -12.228 17.083 -12.607 397 HE2 PHE 51 HE2 PHE 51 -16.448 16.553 -12.901 398 HZ PHE 51 HZ PHE 51 -14.490 18.042 -12.781 399 H ARG 52 H ARG 52 -12.300 10.983 -15.251 400 HA ARG 52 HA ARG 52 -12.588 8.363 -13.955 401 1HB ARG 52 2HB ARG 52 -13.568 8.638 -16.390 402 2HB ARG 52 3HB ARG 52 -11.880 8.484 -16.855 403 1HG ARG 52 2HG ARG 52 -13.227 6.483 -15.072 404 2HG ARG 52 3HG ARG 52 -13.283 6.368 -16.833 405 1HD ARG 52 2HD ARG 52 -10.595 6.838 -16.132 406 2HD ARG 52 3HD ARG 52 -11.194 5.598 -15.032 407 HE ARG 52 HE ARG 52 -11.826 5.146 -17.810 408 1HH1 ARG 52 2HH1 ARG 52 -9.533 4.627 -15.242 409 2HH1 ARG 52 1HH1 ARG 52 -8.825 3.229 -15.981 410 1HH2 ARG 52 2HH2 ARG 52 -10.902 3.306 -18.793 411 2HH2 ARG 52 1HH2 ARG 52 -9.603 2.479 -18.001 412 H ILE 53 H ILE 53 -10.695 7.241 -13.612 413 HA ILE 53 HA ILE 53 -8.202 8.535 -14.487 414 HB ILE 53 HB ILE 53 -7.268 8.593 -12.404 415 1HG1 ILE 53 2HG1 ILE 53 -8.388 7.149 -10.495 416 2HG1 ILE 53 3HG1 ILE 53 -9.003 6.220 -11.858 417 1HG2 ILE 53 1HG2 ILE 53 -9.328 10.007 -12.460 418 2HG2 ILE 53 2HG2 ILE 53 -10.168 8.717 -11.602 419 3HG2 ILE 53 3HG2 ILE 53 -8.806 9.540 -10.842 420 1HD1 ILE 53 1HD1 ILE 53 -6.374 6.246 -10.676 421 2HD1 ILE 53 2HD1 ILE 53 -7.097 5.096 -11.801 422 3HD1 ILE 53 3HD1 ILE 53 -6.310 6.551 -12.412 423 H LEU 54 H LEU 54 -6.652 7.190 -15.214 424 HA LEU 54 HA LEU 54 -7.126 4.296 -14.923 425 1HB LEU 54 2HB LEU 54 -7.332 5.505 -17.235 426 2HB LEU 54 3HB LEU 54 -5.571 5.438 -17.201 427 HG LEU 54 HG LEU 54 -7.538 3.178 -17.364 428 1HD1 LEU 54 1HD1 LEU 54 -6.962 3.721 -19.503 429 2HD1 LEU 54 2HD1 LEU 54 -5.666 2.587 -19.124 430 3HD1 LEU 54 3HD1 LEU 54 -5.370 4.323 -19.043 431 1HD2 LEU 54 1HD2 LEU 54 -6.125 2.389 -15.665 432 2HD2 LEU 54 2HD2 LEU 54 -4.692 3.104 -16.404 433 3HD2 LEU 54 3HD2 LEU 54 -5.467 1.707 -17.153 434 H PHE 55 H PHE 55 -5.658 3.329 -13.704 435 HA PHE 55 HA PHE 55 -2.897 4.359 -13.741 436 1HB PHE 55 2HB PHE 55 -3.676 4.905 -11.590 437 2HB PHE 55 3HB PHE 55 -4.572 3.397 -11.435 438 HD1 PHE 55 HD1 PHE 55 -3.690 2.549 -9.439 439 HD2 PHE 55 HD2 PHE 55 -1.065 3.790 -12.551 440 HE1 PHE 55 HE1 PHE 55 -1.793 1.547 -8.234 441 HE2 PHE 55 HE2 PHE 55 0.835 2.789 -11.352 442 HZ PHE 55 HZ PHE 55 0.473 1.665 -9.190 443 H GLN 56 H GLN 56 -1.527 2.962 -14.608 444 HA GLN 56 HA GLN 56 -1.895 0.098 -14.092 445 1HB GLN 56 2HB GLN 56 -1.144 -0.300 -16.493 446 2HB GLN 56 3HB GLN 56 -2.789 0.280 -16.268 447 1HG GLN 56 2HG GLN 56 -1.950 2.586 -16.735 448 2HG GLN 56 3HG GLN 56 -0.397 1.868 -17.158 449 1HE2 GLN 56 1HE2 GLN 56 -2.760 3.271 -18.599 450 2HE2 GLN 56 2HE2 GLN 56 -2.968 2.305 -20.016 451 H SER 57 H SER 57 0.021 -1.153 -14.182 452 HA SER 57 HA SER 57 2.464 0.457 -13.870 453 1HB SER 57 2HB SER 57 2.204 -2.370 -12.891 454 2HB SER 57 3HB SER 57 3.246 -1.079 -12.294 455 HG SER 57 HG SER 57 1.669 -0.353 -11.083 456 H LYS 58 H LYS 58 4.489 -1.071 -14.254 457 HA LYS 58 HA LYS 58 4.223 -1.998 -17.015 458 1HB LYS 58 2HB LYS 58 6.045 -0.343 -15.989 459 2HB LYS 58 3HB LYS 58 6.869 -1.860 -15.654 460 1HG LYS 58 2HG LYS 58 7.707 -1.214 -17.720 461 2HG LYS 58 3HG LYS 58 6.465 -2.401 -18.127 462 1HD LYS 58 2HD LYS 58 5.847 -0.778 -19.588 463 2HD LYS 58 3HD LYS 58 4.968 -0.185 -18.177 464 1HE LYS 58 2HE LYS 58 6.094 1.688 -19.049 465 2HE LYS 58 3HE LYS 58 7.037 1.185 -17.647 466 1HZ LYS 58 1HZ LYS 58 8.748 1.277 -19.060 467 2HZ LYS 58 2HZ LYS 58 7.767 1.226 -20.436 468 3HZ LYS 58 3HZ LYS 58 8.186 -0.208 -19.643 469 H LYS 59 H LYS 59 4.374 -3.239 -13.889 470 HA LYS 59 HA LYS 59 5.616 -5.755 -14.694 471 1HB LYS 59 2HB LYS 59 4.467 -5.182 -11.976 472 2HB LYS 59 3HB LYS 59 5.757 -6.296 -12.412 473 1HG LYS 59 2HG LYS 59 5.886 -3.293 -12.317 474 2HG LYS 59 3HG LYS 59 6.733 -4.446 -11.282 475 1HD LYS 59 2HD LYS 59 7.152 -4.056 -14.245 476 2HD LYS 59 3HD LYS 59 8.244 -3.541 -12.957 477 1HE LYS 59 2HE LYS 59 8.194 -6.059 -12.290 478 2HE LYS 59 3HE LYS 59 7.638 -6.297 -13.946 479 1HZ LYS 59 1HZ LYS 59 10.100 -4.788 -13.281 480 2HZ LYS 59 2HZ LYS 59 9.615 -5.367 -14.795 481 3HZ LYS 59 3HZ LYS 59 10.100 -6.452 -13.591 482 H LEU 60 H LEU 60 2.612 -4.409 -14.833 483 HA LEU 60 HA LEU 60 0.801 -6.216 -13.854 484 1HB LEU 60 2HB LEU 60 -0.756 -5.385 -15.407 485 2HB LEU 60 3HB LEU 60 0.346 -4.053 -15.064 486 HG LEU 60 HG LEU 60 1.516 -5.058 -17.268 487 1HD1 LEU 60 1HD1 LEU 60 -1.231 -5.229 -18.252 488 2HD1 LEU 60 2HD1 LEU 60 -0.760 -6.561 -17.196 489 3HD1 LEU 60 3HD1 LEU 60 0.182 -6.209 -18.645 490 1HD2 LEU 60 1HD2 LEU 60 -0.135 -2.832 -16.584 491 2HD2 LEU 60 2HD2 LEU 60 -0.525 -3.358 -18.222 492 3HD2 LEU 60 3HD2 LEU 60 1.137 -2.939 -17.802 493 H SER 61 H SER 61 0.500 -8.317 -14.132 494 HA SER 61 HA SER 61 1.524 -9.572 -16.590 495 1HB SER 61 2HB SER 61 1.276 -10.548 -13.761 496 2HB SER 61 3HB SER 61 1.326 -11.703 -15.094 497 HG SER 61 HG SER 61 3.259 -9.662 -14.832 498 H GLU 62 H GLU 62 0.277 -11.144 -17.652 499 HA GLU 62 HA GLU 62 -2.525 -10.632 -17.649 500 1HB GLU 62 2HB GLU 62 -0.752 -12.566 -19.112 501 2HB GLU 62 3HB GLU 62 -2.502 -12.665 -19.254 502 1HG GLU 62 2HG GLU 62 -2.644 -10.534 -20.247 503 2HG GLU 62 3HG GLU 62 -0.983 -10.138 -19.813 504 H LEU 63 H LEU 63 -0.498 -13.275 -16.481 505 HA LEU 63 HA LEU 63 -2.761 -14.855 -15.642 506 1HB LEU 63 2HB LEU 63 0.091 -15.278 -14.809 507 2HB LEU 63 3HB LEU 63 -1.201 -16.469 -14.939 508 HG LEU 63 HG LEU 63 -1.011 -15.656 -17.515 509 1HD1 LEU 63 1HD1 LEU 63 1.671 -15.907 -17.671 510 2HD1 LEU 63 2HD1 LEU 63 1.521 -14.971 -16.184 511 3HD1 LEU 63 3HD1 LEU 63 0.820 -14.362 -17.684 512 1HD2 LEU 63 1HD2 LEU 63 -0.346 -17.787 -17.903 513 2HD2 LEU 63 2HD2 LEU 63 -0.755 -17.965 -16.197 514 3HD2 LEU 63 3HD2 LEU 63 0.925 -17.733 -16.682 515 H HIS 64 H HIS 64 -2.017 -15.841 -13.203 516 HA HIS 64 HA HIS 64 -2.153 -15.463 -10.964 517 1HB HIS 64 2HB HIS 64 -1.096 -12.688 -11.509 518 2HB HIS 64 3HB HIS 64 -0.972 -13.614 -10.015 519 HD1 HIS 64 HD1 HIS 64 0.824 -12.860 -13.081 520 HD2 HIS 64 HD2 HIS 64 0.805 -15.933 -10.285 521 HE1 HIS 64 HE1 HIS 64 2.978 -14.108 -13.439 522 HA PRO 65 HA PRO 65 -6.130 -13.195 -11.694 523 1HB PRO 65 2HB PRO 65 -7.700 -15.153 -10.659 524 2HB PRO 65 3HB PRO 65 -7.182 -15.130 -12.348 525 1HG PRO 65 2HG PRO 65 -6.059 -16.675 -10.043 526 2HG PRO 65 3HG PRO 65 -6.372 -17.213 -11.704 527 1HD PRO 65 2HD PRO 65 -3.901 -16.526 -10.837 528 2HD PRO 65 3HD PRO 65 -4.432 -16.265 -12.511 529 H GLU 66 H GLU 66 -5.166 -15.174 -8.896 530 HA GLU 66 HA GLU 66 -6.773 -13.950 -6.976 531 1HB GLU 66 2HB GLU 66 -4.594 -15.809 -7.015 532 2HB GLU 66 3HB GLU 66 -4.315 -14.631 -5.740 533 1HG GLU 66 2HG GLU 66 -6.883 -16.160 -6.062 534 2HG GLU 66 3HG GLU 66 -5.546 -16.687 -5.041 535 H GLU 67 H GLU 67 -3.820 -12.888 -8.466 536 HA GLU 67 HA GLU 67 -3.153 -10.912 -6.518 537 1HB GLU 67 2HB GLU 67 -2.287 -11.401 -9.360 538 2HB GLU 67 3HB GLU 67 -1.730 -10.003 -8.451 539 1HG GLU 67 2HG GLU 67 -1.431 -12.728 -7.283 540 2HG GLU 67 3HG GLU 67 -0.309 -12.181 -8.527 541 H ARG 68 H ARG 68 -4.903 -10.880 -9.591 542 HA ARG 68 HA ARG 68 -5.237 -8.148 -9.914 543 1HB ARG 68 2HB ARG 68 -7.352 -10.205 -10.550 544 2HB ARG 68 3HB ARG 68 -7.086 -8.659 -11.345 545 1HG ARG 68 2HG ARG 68 -4.690 -9.824 -11.751 546 2HG ARG 68 3HG ARG 68 -5.741 -11.243 -11.731 547 1HD ARG 68 2HD ARG 68 -5.820 -8.868 -13.563 548 2HD ARG 68 3HD ARG 68 -5.681 -10.576 -13.977 549 HE ARG 68 HE ARG 68 -8.104 -10.372 -12.742 550 1HH1 ARG 68 2HH1 ARG 68 -6.591 -8.811 -15.461 551 2HH1 ARG 68 1HH1 ARG 68 -8.081 -8.542 -16.302 552 1HH2 ARG 68 2HH2 ARG 68 -10.073 -10.024 -13.839 553 2HH2 ARG 68 1HH2 ARG 68 -10.061 -9.232 -15.379 554 H LYS 69 H LYS 69 -7.442 -10.423 -8.278 555 HA LYS 69 HA LYS 69 -9.246 -8.459 -7.368 556 1HB LYS 69 2HB LYS 69 -10.025 -10.221 -5.796 557 2HB LYS 69 3HB LYS 69 -9.915 -10.774 -7.462 558 1HG LYS 69 2HG LYS 69 -7.591 -11.650 -6.797 559 2HG LYS 69 3HG LYS 69 -8.156 -11.447 -5.137 560 1HD LYS 69 2HD LYS 69 -8.612 -13.697 -5.751 561 2HD LYS 69 3HD LYS 69 -10.156 -12.842 -5.761 562 1HE LYS 69 2HE LYS 69 -10.416 -13.075 -7.990 563 2HE LYS 69 3HE LYS 69 -8.699 -12.845 -8.318 564 1HZ LYS 69 1HZ LYS 69 -10.009 -15.334 -7.369 565 2HZ LYS 69 2HZ LYS 69 -8.335 -15.134 -7.504 566 3HZ LYS 69 3HZ LYS 69 -9.308 -15.070 -8.886 567 H LYS 70 H LYS 70 -6.282 -9.761 -6.024 568 HA LYS 70 HA LYS 70 -6.533 -8.798 -3.401 569 1HB LYS 70 2HB LYS 70 -4.819 -10.436 -4.211 570 2HB LYS 70 3HB LYS 70 -3.971 -9.099 -4.977 571 1HG LYS 70 2HG LYS 70 -3.279 -8.210 -2.974 572 2HG LYS 70 3HG LYS 70 -4.595 -8.957 -2.066 573 1HD LYS 70 2HD LYS 70 -2.405 -10.565 -3.358 574 2HD LYS 70 3HD LYS 70 -2.271 -9.926 -1.717 575 1HE LYS 70 2HE LYS 70 -3.905 -11.318 -0.898 576 2HE LYS 70 3HE LYS 70 -4.702 -11.480 -2.463 577 1HZ LYS 70 1HZ LYS 70 -2.169 -12.565 -2.745 578 2HZ LYS 70 2HZ LYS 70 -3.643 -13.393 -2.710 579 3HZ LYS 70 3HZ LYS 70 -2.769 -13.164 -1.280 580 H VAL 71 H VAL 71 -4.850 -7.355 -6.194 581 HA VAL 71 HA VAL 71 -4.190 -4.942 -4.874 582 HB VAL 71 HB VAL 71 -3.748 -4.044 -7.136 583 1HG1 VAL 71 1HG1 VAL 71 -2.128 -5.497 -5.869 584 2HG1 VAL 71 2HG1 VAL 71 -2.666 -6.842 -6.878 585 3HG1 VAL 71 3HG1 VAL 71 -1.889 -5.440 -7.615 586 1HG2 VAL 71 1HG2 VAL 71 -4.042 -5.467 -9.093 587 2HG2 VAL 71 2HG2 VAL 71 -4.787 -6.713 -8.091 588 3HG2 VAL 71 3HG2 VAL 71 -5.591 -5.159 -8.308 589 H ARG 72 H ARG 72 -6.987 -5.991 -6.704 590 HA ARG 72 HA ARG 72 -8.167 -3.491 -7.177 591 1HB ARG 72 2HB ARG 72 -9.278 -6.273 -6.907 592 2HB ARG 72 3HB ARG 72 -10.338 -4.894 -7.165 593 1HG ARG 72 2HG ARG 72 -8.025 -5.436 -8.989 594 2HG ARG 72 3HG ARG 72 -9.579 -6.244 -9.202 595 1HD ARG 72 2HD ARG 72 -10.340 -3.644 -8.906 596 2HD ARG 72 3HD ARG 72 -8.800 -3.471 -9.745 597 HE ARG 72 HE ARG 72 -9.815 -4.240 -11.633 598 1HH1 ARG 72 2HH1 ARG 72 -11.681 -5.265 -8.878 599 2HH1 ARG 72 1HH1 ARG 72 -12.951 -5.958 -9.832 600 1HH2 ARG 72 2HH2 ARG 72 -11.481 -5.148 -12.899 601 2HH2 ARG 72 1HH2 ARG 72 -12.836 -5.891 -12.119 602 H GLU 73 H GLU 73 -8.642 -5.788 -4.500 603 HA GLU 73 HA GLU 73 -10.450 -4.097 -3.090 604 1HB GLU 73 2HB GLU 73 -10.211 -5.691 -1.259 605 2HB GLU 73 3HB GLU 73 -10.436 -6.532 -2.786 606 1HG GLU 73 2HG GLU 73 -8.076 -7.027 -2.906 607 2HG GLU 73 3HG GLU 73 -7.782 -6.098 -1.437 608 H LYS 74 H LYS 74 -6.979 -4.607 -3.022 609 HA LYS 74 HA LYS 74 -6.392 -3.272 -0.626 610 1HB LYS 74 2HB LYS 74 -4.916 -4.647 -2.405 611 2HB LYS 74 3HB LYS 74 -4.471 -3.011 -2.872 612 1HG LYS 74 2HG LYS 74 -4.169 -4.250 -0.145 613 2HG LYS 74 3HG LYS 74 -2.879 -3.860 -1.285 614 1HD LYS 74 2HD LYS 74 -4.742 -1.850 -0.023 615 2HD LYS 74 3HD LYS 74 -3.099 -2.190 0.524 616 1HE LYS 74 2HE LYS 74 -2.559 -1.693 -2.027 617 2HE LYS 74 3HE LYS 74 -4.046 -0.754 -1.899 618 1HZ LYS 74 1HZ LYS 74 -2.183 0.641 -1.401 619 2HZ LYS 74 2HZ LYS 74 -1.605 -0.442 -0.237 620 3HZ LYS 74 3HZ LYS 74 -3.054 0.390 0.028 621 H PHE 75 H PHE 75 -6.334 -2.050 -3.974 622 HA PHE 75 HA PHE 75 -5.824 0.640 -3.200 623 1HB PHE 75 2HB PHE 75 -5.549 0.982 -5.406 624 2HB PHE 75 3HB PHE 75 -5.747 -0.760 -5.573 625 HD1 PHE 75 HD1 PHE 75 -7.798 -1.705 -6.418 626 HD2 PHE 75 HD2 PHE 75 -7.346 2.504 -5.969 627 HE1 PHE 75 HE1 PHE 75 -9.789 -1.345 -7.818 628 HE2 PHE 75 HE2 PHE 75 -9.337 2.870 -7.367 629 HZ PHE 75 HZ PHE 75 -10.562 0.945 -8.293 630 H ASP 76 H ASP 76 -8.725 -1.222 -3.847 631 HA ASP 76 HA ASP 76 -10.568 0.874 -4.049 632 1HB ASP 76 2HB ASP 76 -11.334 -1.268 -4.674 633 2HB ASP 76 3HB ASP 76 -10.823 -1.988 -3.150 634 H GLU 77 H GLU 77 -9.557 -1.001 -1.199 635 HA GLU 77 HA GLU 77 -11.155 0.477 0.628 636 1HB GLU 77 2HB GLU 77 -8.763 -1.319 1.046 637 2HB GLU 77 3HB GLU 77 -9.690 -0.613 2.362 638 1HG GLU 77 2HG GLU 77 -11.063 -2.229 0.261 639 2HG GLU 77 3HG GLU 77 -10.199 -3.025 1.576 640 H ASN 78 H ASN 78 -7.689 0.559 -0.166 641 HA ASN 78 HA ASN 78 -6.853 2.493 1.615 642 1HB ASN 78 2HB ASN 78 -5.346 1.203 0.135 643 2HB ASN 78 3HB ASN 78 -5.906 2.152 -1.239 644 1HD2 ASN 78 1HD2 ASN 78 -4.634 2.674 2.034 645 2HD2 ASN 78 2HD2 ASN 78 -3.567 3.960 1.596 646 H SER 79 H SER 79 -8.454 2.897 -1.500 647 HA SER 79 HA SER 79 -8.218 5.755 -1.501 648 1HB SER 79 2HB SER 79 -9.949 3.897 -3.148 649 2HB SER 79 3HB SER 79 -9.792 5.630 -3.429 650 HG SER 79 HG SER 79 -8.353 4.561 -4.762 651 H ARG 80 H ARG 80 -10.776 3.432 -0.731 652 HA ARG 80 HA ARG 80 -12.747 5.416 -0.172 653 1HB ARG 80 2HB ARG 80 -14.169 3.670 0.256 654 2HB ARG 80 3HB ARG 80 -12.960 2.833 -0.709 655 1HG ARG 80 2HG ARG 80 -13.057 1.364 0.994 656 2HG ARG 80 3HG ARG 80 -11.895 2.477 1.719 657 1HD ARG 80 2HD ARG 80 -13.362 3.202 3.267 658 2HD ARG 80 3HD ARG 80 -14.719 3.170 2.142 659 HE ARG 80 HE ARG 80 -14.207 0.546 2.606 660 1HH1 ARG 80 2HH1 ARG 80 -14.816 3.292 4.656 661 2HH1 ARG 80 1HH1 ARG 80 -15.559 2.356 5.911 662 1HH2 ARG 80 2HH2 ARG 80 -15.183 -0.698 4.250 663 2HH2 ARG 80 1HH2 ARG 80 -15.766 0.086 5.679 664 H MET 81 H MET 81 -9.997 4.478 1.470 665 HA MET 81 HA MET 81 -10.554 4.272 4.115 666 1HB MET 81 2HB MET 81 -8.357 5.631 2.624 667 2HB MET 81 3HB MET 81 -8.453 5.870 4.363 668 1HG MET 81 2HG MET 81 -8.354 3.176 3.030 669 2HG MET 81 3HG MET 81 -6.946 4.030 3.656 670 1HE MET 81 1HE MET 81 -10.430 2.130 5.109 671 2HE MET 81 2HE MET 81 -9.222 1.517 3.980 672 3HE MET 81 3HE MET 81 -9.199 0.995 5.665 673 H GLN 82 H GLN 82 -10.719 5.761 5.878 674 HA GLN 82 HA GLN 82 -12.675 7.685 5.630 675 1HB GLN 82 2HB GLN 82 -10.484 7.759 7.705 676 2HB GLN 82 3HB GLN 82 -12.116 8.395 7.855 677 1HG GLN 82 2HG GLN 82 -12.605 6.485 8.873 678 2HG GLN 82 3HG GLN 82 -12.550 5.752 7.270 679 1HE2 GLN 82 1HE2 GLN 82 -12.036 4.360 9.636 680 2HE2 GLN 82 2HE2 GLN 82 -10.382 3.865 9.633 681 H TYR 83 H TYR 83 -12.642 9.986 5.727 682 HA TYR 83 HA TYR 83 -10.909 11.200 3.894 683 1HB TYR 83 2HB TYR 83 -13.203 12.005 4.544 684 2HB TYR 83 3HB TYR 83 -12.500 12.622 6.035 685 HD1 TYR 83 HD1 TYR 83 -10.877 12.716 2.711 686 HD2 TYR 83 HD2 TYR 83 -12.919 14.934 5.713 687 HE1 TYR 83 HE1 TYR 83 -10.285 14.807 1.560 688 HE2 TYR 83 HE2 TYR 83 -12.333 17.032 4.570 689 HH TYR 83 HH TYR 83 -11.741 17.725 2.185 690 H SER 84 H SER 84 -10.853 11.080 7.418 691 HA SER 84 HA SER 84 -8.899 12.966 7.954 692 1HB SER 84 2HB SER 84 -8.992 10.351 9.439 693 2HB SER 84 3HB SER 84 -8.667 11.967 10.066 694 HG SER 84 HG SER 84 -11.095 10.732 9.480 695 H GLU 85 H GLU 85 -8.453 9.494 7.298 696 HA GLU 85 HA GLU 85 -5.604 9.660 7.324 697 1HB GLU 85 2HB GLU 85 -7.053 7.595 7.760 698 2HB GLU 85 3HB GLU 85 -7.218 7.481 6.013 699 1HG GLU 85 2HG GLU 85 -5.456 6.080 6.359 700 2HG GLU 85 3HG GLU 85 -4.605 7.595 6.063 701 H LEU 86 H LEU 86 -8.080 9.870 4.855 702 HA LEU 86 HA LEU 86 -6.420 9.580 2.597 703 1HB LEU 86 2HB LEU 86 -9.080 9.779 2.977 704 2HB LEU 86 3HB LEU 86 -8.731 11.403 2.388 705 HG LEU 86 HG LEU 86 -9.452 9.954 0.575 706 1HD1 LEU 86 1HD1 LEU 86 -7.673 10.399 -0.970 707 2HD1 LEU 86 2HD1 LEU 86 -6.503 10.527 0.343 708 3HD1 LEU 86 3HD1 LEU 86 -7.774 11.739 0.174 709 1HD2 LEU 86 1HD2 LEU 86 -7.020 8.307 0.586 710 2HD2 LEU 86 2HD2 LEU 86 -8.684 7.878 0.188 711 3HD2 LEU 86 3HD2 LEU 86 -8.171 7.951 1.875 712 H MET 87 H MET 87 -7.435 12.424 4.445 713 HA MET 87 HA MET 87 -6.000 14.246 2.740 714 1HB MET 87 2HB MET 87 -7.839 14.429 4.997 715 2HB MET 87 3HB MET 87 -6.530 15.599 5.098 716 1HG MET 87 2HG MET 87 -8.349 15.241 2.728 717 2HG MET 87 3HG MET 87 -8.528 16.478 3.970 718 1HE MET 87 1HE MET 87 -6.234 16.816 0.191 719 2HE MET 87 2HE MET 87 -6.902 15.304 0.807 720 3HE MET 87 3HE MET 87 -7.962 16.686 0.524 721 H THR 88 H THR 88 -5.333 12.395 5.584 722 HA THR 88 HA THR 88 -3.070 13.946 6.435 723 HB THR 88 HB THR 88 -4.014 11.181 7.202 724 HG1 THR 88 HG1 THR 88 -4.724 12.232 9.045 725 1HG2 THR 88 1HG2 THR 88 -1.650 11.169 7.529 726 2HG2 THR 88 2HG2 THR 88 -2.389 11.441 9.108 727 3HG2 THR 88 3HG2 THR 88 -1.677 12.789 8.222 728 H LYS 89 H LYS 89 -3.496 10.820 4.791 729 HA LYS 89 HA LYS 89 -0.750 10.274 4.462 730 1HB LYS 89 2HB LYS 89 -3.131 8.954 3.926 731 2HB LYS 89 3HB LYS 89 -2.435 9.215 2.332 732 1HG LYS 89 2HG LYS 89 -1.516 7.197 2.865 733 2HG LYS 89 3HG LYS 89 -0.265 8.284 3.472 734 1HD LYS 89 2HD LYS 89 -2.472 7.484 5.305 735 2HD LYS 89 3HD LYS 89 -1.204 6.309 4.949 736 1HE LYS 89 2HE LYS 89 0.483 7.967 5.647 737 2HE LYS 89 3HE LYS 89 -0.814 9.086 6.064 738 1HZ LYS 89 1HZ LYS 89 -1.430 6.752 7.369 739 2HZ LYS 89 2HZ LYS 89 -0.796 8.158 8.064 740 3HZ LYS 89 3HZ LYS 89 0.242 6.915 7.571 741 H TYR 90 H TYR 90 -2.668 12.635 3.056 742 HA TYR 90 HA TYR 90 -0.938 12.815 0.683 743 1HB TYR 90 2HB TYR 90 -3.216 12.718 0.006 744 2HB TYR 90 3HB TYR 90 -3.707 13.878 1.235 745 HD1 TYR 90 HD1 TYR 90 -0.802 14.164 -1.055 746 HD2 TYR 90 HD2 TYR 90 -4.706 15.550 -0.087 747 HE1 TYR 90 HE1 TYR 90 -0.552 15.989 -2.685 748 HE2 TYR 90 HE2 TYR 90 -4.468 17.378 -1.715 749 HH TYR 90 HH TYR 90 -2.132 18.627 -2.748 750 H HIS 91 H HIS 91 -2.407 14.761 3.263 751 HA HIS 91 HA HIS 91 -0.814 17.073 2.621 752 1HB HIS 91 2HB HIS 91 -3.138 17.158 3.612 753 2HB HIS 91 3HB HIS 91 -2.434 16.596 5.126 754 HD1 HIS 91 HD1 HIS 91 -0.918 18.267 6.419 755 HD2 HIS 91 HD2 HIS 91 -2.679 19.835 2.999 756 HE1 HIS 91 HE1 HIS 91 -0.608 20.757 6.584 757 H ASP 92 H ASP 92 -0.415 14.252 4.496 758 HA ASP 92 HA ASP 92 1.659 15.456 6.170 759 1HB ASP 92 2HB ASP 92 -0.176 13.734 6.936 760 2HB ASP 92 3HB ASP 92 0.948 12.550 6.273 761 H LEU 93 H LEU 93 1.264 12.757 3.885 762 HA LEU 93 HA LEU 93 3.915 11.920 3.803 763 1HB LEU 93 2HB LEU 93 1.639 11.787 1.876 764 2HB LEU 93 3HB LEU 93 3.244 11.269 1.362 765 HG LEU 93 HG LEU 93 1.476 9.562 2.317 766 1HD1 LEU 93 1HD1 LEU 93 3.396 8.186 3.146 767 2HD1 LEU 93 2HD1 LEU 93 4.425 9.599 2.916 768 3HD1 LEU 93 3HD1 LEU 93 3.611 8.867 1.534 769 1HD2 LEU 93 1HD2 LEU 93 2.882 10.482 4.821 770 2HD2 LEU 93 2HD2 LEU 93 1.738 9.147 4.677 771 3HD2 LEU 93 3HD2 LEU 93 1.192 10.808 4.436 772 H LYS 94 H LYS 94 2.384 14.678 2.358 773 HA LYS 94 HA LYS 94 4.339 15.233 0.382 774 1HB LYS 94 2HB LYS 94 3.359 17.571 0.498 775 2HB LYS 94 3HB LYS 94 2.230 16.276 0.119 776 1HG LYS 94 2HG LYS 94 0.947 17.119 1.724 777 2HG LYS 94 3HG LYS 94 2.106 16.433 2.865 778 1HD LYS 94 2HD LYS 94 2.683 19.106 1.688 779 2HD LYS 94 3HD LYS 94 1.444 18.989 2.940 780 1HE LYS 94 2HE LYS 94 3.366 17.545 4.107 781 2HE LYS 94 3HE LYS 94 4.376 18.593 3.112 782 1HZ LYS 94 1HZ LYS 94 2.407 20.156 4.356 783 2HZ LYS 94 2HZ LYS 94 4.084 20.212 4.571 784 3HZ LYS 94 3HZ LYS 94 3.141 19.196 5.541 785 H LYS 95 H LYS 95 4.473 15.365 3.733 786 HA LYS 95 HA LYS 95 5.927 17.626 4.347 787 1HB LYS 95 2HB LYS 95 5.876 14.853 5.473 788 2HB LYS 95 3HB LYS 95 7.070 16.000 6.068 789 1HG LYS 95 2HG LYS 95 4.274 16.944 5.955 790 2HG LYS 95 3HG LYS 95 4.651 15.707 7.157 791 1HD LYS 95 2HD LYS 95 5.862 17.127 8.414 792 2HD LYS 95 3HD LYS 95 6.596 17.900 7.008 793 1HE LYS 95 2HE LYS 95 4.748 19.331 6.705 794 2HE LYS 95 3HE LYS 95 3.733 18.378 7.786 795 1HZ LYS 95 1HZ LYS 95 6.050 19.294 9.138 796 2HZ LYS 95 2HZ LYS 95 4.422 19.567 9.507 797 3HZ LYS 95 3HZ LYS 95 5.232 20.599 8.438 798 H GLN 96 H GLN 96 7.169 14.486 3.230 799 HA GLN 96 HA GLN 96 9.663 15.856 2.467 800 1HB GLN 96 2HB GLN 96 9.464 12.980 3.366 801 2HB GLN 96 3HB GLN 96 10.930 13.892 3.032 802 1HG GLN 96 2HG GLN 96 8.999 14.380 5.288 803 2HG GLN 96 3HG GLN 96 10.601 13.654 5.413 804 1HE2 GLN 96 1HE2 GLN 96 9.579 16.005 6.744 805 2HE2 GLN 96 2HE2 GLN 96 10.601 17.319 6.280 806 H GLY 97 H GLY 97 7.234 15.347 0.904 807 1HA GLY 97 2HA GLY 97 8.498 14.322 -1.447 808 2HA GLY 97 3HA GLY 97 7.326 13.185 -0.795 809 H LYS 98 H LYS 98 7.739 16.450 -2.060 810 HA LYS 98 HA LYS 98 5.064 17.243 -2.088 811 1HB LYS 98 2HB LYS 98 5.720 18.858 -3.791 812 2HB LYS 98 3HB LYS 98 6.944 18.766 -2.531 813 1HG LYS 98 2HG LYS 98 8.519 18.018 -3.939 814 2HG LYS 98 3HG LYS 98 7.393 16.970 -4.804 815 1HD LYS 98 2HD LYS 98 7.442 18.441 -6.475 816 2HD LYS 98 3HD LYS 98 6.584 19.568 -5.421 817 1HE LYS 98 2HE LYS 98 8.692 20.462 -4.619 818 2HE LYS 98 3HE LYS 98 9.584 19.284 -5.582 819 1HZ LYS 98 1HZ LYS 98 7.871 21.479 -6.613 820 2HZ LYS 98 2HZ LYS 98 8.590 20.293 -7.581 821 3HZ LYS 98 3HZ LYS 98 9.557 21.379 -6.715 822 H ILE 99 H ILE 99 3.974 17.736 -4.351 823 HA ILE 99 HA ILE 99 4.134 15.392 -6.097 824 HB ILE 99 HB ILE 99 1.735 15.060 -6.103 825 1HG1 ILE 99 2HG1 ILE 99 1.247 16.763 -3.735 826 2HG1 ILE 99 3HG1 ILE 99 1.525 17.624 -5.245 827 1HG2 ILE 99 1HG2 ILE 99 2.869 13.691 -4.548 828 2HG2 ILE 99 2HG2 ILE 99 3.035 15.013 -3.393 829 3HG2 ILE 99 3HG2 ILE 99 1.449 14.309 -3.704 830 1HD1 ILE 99 1HD1 ILE 99 -0.559 15.499 -4.804 831 2HD1 ILE 99 2HD1 ILE 99 -0.846 17.239 -4.834 832 3HD1 ILE 99 3HD1 ILE 99 -0.297 16.411 -6.291 833 H LYS 100 H LYS 100 2.641 15.712 -8.048 834 HA LYS 100 HA LYS 100 2.634 18.552 -8.834 835 1HB LYS 100 2HB LYS 100 3.268 16.193 -10.617 836 2HB LYS 100 3HB LYS 100 3.253 17.885 -11.099 837 1HG LYS 100 2HG LYS 100 5.032 17.083 -8.861 838 2HG LYS 100 3HG LYS 100 5.491 16.631 -10.504 839 1HD LYS 100 2HD LYS 100 5.786 18.810 -11.166 840 2HD LYS 100 3HD LYS 100 4.638 19.438 -9.981 841 1HE LYS 100 2HE LYS 100 6.788 20.125 -9.264 842 2HE LYS 100 3HE LYS 100 6.307 18.802 -8.202 843 1HZ LYS 100 1HZ LYS 100 7.760 17.334 -9.261 844 2HZ LYS 100 2HZ LYS 100 8.656 18.761 -9.112 845 3HZ LYS 100 3HZ LYS 100 7.973 18.344 -10.602 846 H ASP 101 H ASP 101 0.893 19.289 -9.990 847 HA ASP 101 HA ASP 101 -1.367 17.419 -10.211 848 1HB ASP 101 2HB ASP 101 -1.771 19.300 -8.704 849 2HB ASP 101 3HB ASP 101 -1.361 20.436 -9.986 850 H ARG 102 H ARG 102 -0.827 16.598 -12.252 851 HA ARG 102 HA ARG 102 -0.334 18.288 -14.497 852 1HB ARG 102 2HB ARG 102 -0.872 15.360 -14.134 853 2HB ARG 102 3HB ARG 102 -0.882 16.064 -15.746 854 1HG ARG 102 2HG ARG 102 1.444 16.564 -13.952 855 2HG ARG 102 3HG ARG 102 1.292 15.008 -14.771 856 1HD ARG 102 2HD ARG 102 2.521 16.201 -16.305 857 2HD ARG 102 3HD ARG 102 0.880 16.491 -16.881 858 HE ARG 102 HE ARG 102 1.685 18.500 -15.047 859 1HH1 ARG 102 2HH1 ARG 102 2.105 17.428 -18.332 860 2HH1 ARG 102 1HH1 ARG 102 2.469 19.009 -18.940 861 1HH2 ARG 102 2HH2 ARG 102 2.164 20.587 -15.834 862 2HH2 ARG 102 1HH2 ARG 102 2.504 20.805 -17.518 863 HA PRO 103 HA PRO 103 -4.381 19.271 -15.875 864 1HB PRO 103 2HB PRO 103 -4.119 19.099 -18.572 865 2HB PRO 103 3HB PRO 103 -3.401 20.403 -17.618 866 1HG PRO 103 2HG PRO 103 -2.125 17.915 -18.688 867 2HG PRO 103 3HG PRO 103 -1.499 19.574 -18.668 868 1HD PRO 103 2HD PRO 103 -0.727 17.704 -16.869 869 2HD PRO 103 3HD PRO 103 -0.832 19.430 -16.466 870 H VAL 104 H VAL 104 -6.322 18.416 -16.687 871 HA VAL 104 HA VAL 104 -6.407 15.519 -16.750 872 HB VAL 104 HB VAL 104 -8.077 16.828 -15.456 873 1HG1 VAL 104 1HG1 VAL 104 -9.355 17.536 -18.078 874 2HG1 VAL 104 2HG1 VAL 104 -9.719 18.155 -16.467 875 3HG1 VAL 104 3HG1 VAL 104 -8.223 18.623 -17.275 876 1HG2 VAL 104 1HG2 VAL 104 -8.476 14.508 -16.366 877 2HG2 VAL 104 2HG2 VAL 104 -9.925 15.439 -15.984 878 3HG2 VAL 104 3HG2 VAL 104 -9.404 15.265 -17.661 879 H LYS 105 H LYS 105 -6.837 14.262 -18.482 880 HA LYS 105 HA LYS 105 -6.739 15.520 -21.098 881 1HB LYS 105 2HB LYS 105 -6.160 12.871 -19.987 882 2HB LYS 105 3HB LYS 105 -6.975 12.815 -21.545 883 1HG LYS 105 2HG LYS 105 -4.447 14.350 -20.977 884 2HG LYS 105 3HG LYS 105 -4.523 12.758 -21.736 885 1HD LYS 105 2HD LYS 105 -6.250 14.773 -22.981 886 2HD LYS 105 3HD LYS 105 -4.526 15.139 -23.073 887 1HE LYS 105 2HE LYS 105 -5.719 12.490 -23.868 888 2HE LYS 105 3HE LYS 105 -5.443 13.814 -24.999 889 1HZ LYS 105 1HZ LYS 105 -3.581 12.413 -25.158 890 2HZ LYS 105 2HZ LYS 105 -3.423 12.271 -23.480 891 3HZ LYS 105 3HZ LYS 105 -3.059 13.737 -24.243 892 H GLU 106 H GLU 106 -8.316 15.386 -22.667 893 HA GLU 106 HA GLU 106 -11.010 15.028 -21.693 894 1HB GLU 106 2HB GLU 106 -9.809 16.001 -24.267 895 2HB GLU 106 3HB GLU 106 -11.524 15.629 -24.167 896 1HG GLU 106 2HG GLU 106 -10.210 17.497 -22.229 897 2HG GLU 106 3HG GLU 106 -10.796 18.046 -23.798 898 H VAL 107 H VAL 107 -12.403 13.410 -22.168 899 HA VAL 107 HA VAL 107 -11.324 11.149 -23.714 900 HB VAL 107 HB VAL 107 -13.147 11.290 -21.350 901 1HG1 VAL 107 1HG1 VAL 107 -13.184 9.186 -23.490 902 2HG1 VAL 107 2HG1 VAL 107 -13.643 8.825 -21.824 903 3HG1 VAL 107 3HG1 VAL 107 -14.541 10.031 -22.746 904 1HG2 VAL 107 1HG2 VAL 107 -11.118 10.690 -20.552 905 2HG2 VAL 107 2HG2 VAL 107 -11.649 9.082 -21.045 906 3HG2 VAL 107 3HG2 VAL 107 -10.587 10.020 -22.095 907 H HIS 108 H HIS 108 -12.493 10.238 -25.351 908 HA HIS 108 HA HIS 108 -15.037 11.555 -26.048 909 1HB HIS 108 2HB HIS 108 -12.663 10.875 -27.734 910 2HB HIS 108 3HB HIS 108 -14.265 10.828 -28.466 911 HD1 HIS 108 HD1 HIS 108 -11.624 13.143 -27.335 912 HD2 HIS 108 HD2 HIS 108 -15.589 13.365 -28.557 913 HE1 HIS 108 HE1 HIS 108 -12.043 15.575 -27.822 914 H GLU 109 H GLU 109 -16.179 10.129 -27.835 915 HA GLU 109 HA GLU 109 -16.728 7.612 -26.553 916 1HB GLU 109 2HB GLU 109 -17.911 9.166 -28.809 917 2HB GLU 109 3HB GLU 109 -18.254 7.445 -28.713 918 1HG GLU 109 2HG GLU 109 -18.999 7.856 -26.335 919 2HG GLU 109 3HG GLU 109 -18.915 9.577 -26.707 920 H GLU 110 H GLU 110 -15.741 5.758 -26.968 921 HA GLU 110 HA GLU 110 -15.256 4.675 -29.474 922 1HB GLU 110 2HB GLU 110 -13.413 6.688 -28.967 923 2HB GLU 110 3HB GLU 110 -12.544 5.215 -28.560 924 1HG GLU 110 2HG GLU 110 -12.150 5.811 -30.863 925 2HG GLU 110 3HG GLU 110 -13.058 4.303 -30.771 926 H TYR 111 H TYR 111 -13.007 3.139 -29.091 927 HA TYR 111 HA TYR 111 -13.484 1.792 -26.519 928 1HB TYR 111 2HB TYR 111 -12.974 0.293 -29.085 929 2HB TYR 111 3HB TYR 111 -13.528 -0.349 -27.543 930 HD1 TYR 111 HD1 TYR 111 -14.568 0.309 -30.739 931 HD2 TYR 111 HD2 TYR 111 -15.795 0.978 -26.721 932 HE1 TYR 111 HE1 TYR 111 -16.899 0.526 -31.494 933 HE2 TYR 111 HE2 TYR 111 -18.129 1.196 -27.463 934 HH TYR 111 HH TYR 111 -19.184 0.258 -30.514 935 H ASP 112 H ASP 112 -11.587 2.759 -25.710 936 HA ASP 112 HA ASP 112 -9.128 1.478 -26.678 937 1HB ASP 112 2HB ASP 112 -9.411 3.938 -27.417 938 2HB ASP 112 3HB ASP 112 -9.114 4.332 -25.726 939 H LEU 113 H LEU 113 -10.454 3.504 -24.060 940 HA LEU 113 HA LEU 113 -8.603 2.740 -22.100 941 1HB LEU 113 2HB LEU 113 -11.468 3.490 -21.575 942 2HB LEU 113 3HB LEU 113 -10.081 3.708 -20.510 943 HG LEU 113 HG LEU 113 -10.061 5.124 -23.124 944 1HD1 LEU 113 1HD1 LEU 113 -11.862 6.362 -22.764 945 2HD1 LEU 113 2HD1 LEU 113 -11.290 6.785 -21.150 946 3HD1 LEU 113 3HD1 LEU 113 -12.266 5.335 -21.387 947 1HD2 LEU 113 1HD2 LEU 113 -9.273 6.863 -21.209 948 2HD2 LEU 113 2HD2 LEU 113 -8.189 5.755 -22.050 949 3HD2 LEU 113 3HD2 LEU 113 -8.829 5.328 -20.462 950 H TRP 114 H TRP 114 -9.970 1.832 -19.918 951 HA TRP 114 HA TRP 114 -10.002 -0.957 -20.344 952 1HB TRP 114 2HB TRP 114 -10.773 0.815 -18.045 953 2HB TRP 114 3HB TRP 114 -11.096 -0.916 -17.981 954 HD1 TRP 114 HD1 TRP 114 -8.691 1.277 -16.641 955 HE1 TRP 114 HE1 TRP 114 -6.370 0.199 -16.368 956 HE3 TRP 114 HE3 TRP 114 -9.303 -2.760 -19.717 957 HZ2 TRP 114 HZ2 TRP 114 -4.982 -2.063 -17.330 958 HZ3 TRP 114 HZ3 TRP 114 -7.430 -4.333 -19.987 959 HH2 TRP 114 HH2 TRP 114 -5.314 -3.989 -18.817 960 H GLU 115 H GLU 115 -12.574 1.443 -20.060 961 HA GLU 115 HA GLU 115 -14.865 1.222 -20.173 962 1HB GLU 115 2HB GLU 115 -15.549 0.159 -22.359 963 2HB GLU 115 3HB GLU 115 -14.358 1.447 -22.483 964 1HG GLU 115 2HG GLU 115 -12.581 -0.185 -22.723 965 2HG GLU 115 3HG GLU 115 -13.741 -1.498 -22.532 966 H ASP 116 H ASP 116 -14.807 -0.172 -18.200 967 HA ASP 116 HA ASP 116 -16.547 -2.337 -18.457 968 1HB ASP 116 2HB ASP 116 -13.745 -3.011 -18.829 969 2HB ASP 116 3HB ASP 116 -14.445 -3.875 -17.463 970 HA PRO 117 HA PRO 117 -14.862 -2.264 -13.938 971 1HB PRO 117 2HB PRO 117 -12.676 -0.735 -13.435 972 2HB PRO 117 3HB PRO 117 -12.571 -2.431 -13.924 973 1HG PRO 117 2HG PRO 117 -12.249 0.042 -15.580 974 2HG PRO 117 3HG PRO 117 -11.286 -1.447 -15.593 975 1HD PRO 117 2HD PRO 117 -13.198 -0.933 -17.440 976 2HD PRO 117 3HD PRO 117 -12.821 -2.578 -16.888 977 H ILE 118 H ILE 118 -13.960 0.843 -15.453 978 HA ILE 118 HA ILE 118 -15.229 2.361 -13.367 979 HB ILE 118 HB ILE 118 -14.449 4.290 -14.432 980 1HG1 ILE 118 2HG1 ILE 118 -15.473 3.747 -16.650 981 2HG1 ILE 118 3HG1 ILE 118 -13.874 4.472 -16.766 982 1HG2 ILE 118 1HG2 ILE 118 -12.626 2.920 -13.598 983 2HG2 ILE 118 2HG2 ILE 118 -12.518 2.088 -15.149 984 3HG2 ILE 118 3HG2 ILE 118 -12.119 3.803 -15.039 985 1HD1 ILE 118 1HD1 ILE 118 -12.928 2.208 -17.078 986 2HD1 ILE 118 2HD1 ILE 118 -14.571 1.567 -17.100 987 3HD1 ILE 118 3HD1 ILE 118 -14.046 2.693 -18.352 988 H TRP 119 H TRP 119 -16.319 0.802 -16.143 989 HA TRP 119 HA TRP 119 -18.449 2.656 -16.762 990 1HB TRP 119 2HB TRP 119 -17.235 0.372 -18.022 991 2HB TRP 119 3HB TRP 119 -18.981 0.154 -17.955 992 HD1 TRP 119 HD1 TRP 119 -16.823 1.062 -20.470 993 HE1 TRP 119 HE1 TRP 119 -17.688 2.937 -22.006 994 HE3 TRP 119 HE3 TRP 119 -20.471 2.973 -17.441 995 HZ2 TRP 119 HZ2 TRP 119 -19.656 4.960 -21.941 996 HZ3 TRP 119 HZ3 TRP 119 -21.799 4.879 -18.253 997 HH2 TRP 119 HH2 TRP 119 -21.398 5.851 -20.456 998 H GLN 120 H GLN 120 -17.960 -0.087 -14.727 999 HA GLN 120 HA GLN 120 -20.850 -0.332 -14.261 1000 1HB GLN 120 2HB GLN 120 -19.751 -2.427 -14.810 1001 2HB GLN 120 3HB GLN 120 -18.572 -2.178 -13.529 1002 1HG GLN 120 2HG GLN 120 -20.197 -3.782 -12.807 1003 2HG GLN 120 3HG GLN 120 -20.393 -2.300 -11.872 1004 1HE2 GLN 120 1HE2 GLN 120 -21.724 -4.269 -14.435 1005 2HE2 GLN 120 2HE2 GLN 120 -23.316 -3.598 -14.388 1006 H TYR 121 H TYR 121 -17.885 -0.591 -12.291 1007 HA TYR 121 HA TYR 121 -18.809 1.414 -10.451 1008 1HB TYR 121 2HB TYR 121 -19.906 -0.963 -9.931 1009 2HB TYR 121 3HB TYR 121 -18.365 -1.211 -9.119 1010 HD1 TYR 121 HD1 TYR 121 -18.379 -0.785 -6.860 1011 HD2 TYR 121 HD2 TYR 121 -20.903 1.529 -9.386 1012 HE1 TYR 121 HE1 TYR 121 -19.213 0.439 -4.896 1013 HE2 TYR 121 HE2 TYR 121 -21.743 2.760 -7.429 1014 HH TYR 121 HH TYR 121 -20.958 1.792 -4.174 1015 H ILE 122 H ILE 122 -17.170 2.242 -9.218 1016 HA ILE 122 HA ILE 122 -15.029 2.744 -8.631 1017 HB ILE 122 HB ILE 122 -14.679 -0.256 -8.687 1018 1HG1 ILE 122 2HG1 ILE 122 -14.920 1.162 -6.117 1019 2HG1 ILE 122 3HG1 ILE 122 -16.381 1.177 -7.099 1020 1HG2 ILE 122 1HG2 ILE 122 -12.515 0.290 -8.456 1021 2HG2 ILE 122 2HG2 ILE 122 -12.880 1.959 -8.019 1022 3HG2 ILE 122 3HG2 ILE 122 -12.966 0.689 -6.799 1023 1HD1 ILE 122 1HD1 ILE 122 -16.439 -1.212 -7.154 1024 2HD1 ILE 122 2HD1 ILE 122 -14.869 -1.312 -6.355 1025 3HD1 ILE 122 3HD1 ILE 122 -16.267 -0.689 -5.478 Start of MODEL 7 1 H MET 1 H MET 1 3.257 -3.410 -0.950 2 HA MET 1 HA MET 1 3.523 -0.555 -1.077 3 1HB MET 1 2HB MET 1 5.355 -2.890 -1.350 4 2HB MET 1 3HB MET 1 5.875 -1.350 -2.018 5 1HG MET 1 2HG MET 1 6.767 -1.341 0.115 6 2HG MET 1 3HG MET 1 5.299 -0.382 0.283 7 1HE MET 1 1HE MET 1 4.445 -0.364 2.274 8 2HE MET 1 2HE MET 1 3.985 -1.689 3.343 9 3HE MET 1 3HE MET 1 5.659 -1.135 3.295 10 H GLN 2 H GLN 2 4.340 -3.059 -3.486 11 HA GLN 2 HA GLN 2 3.969 -1.108 -5.613 12 1HB GLN 2 2HB GLN 2 4.999 -3.945 -5.604 13 2HB GLN 2 3HB GLN 2 4.799 -2.994 -7.070 14 1HG GLN 2 2HG GLN 2 6.574 -2.279 -4.746 15 2HG GLN 2 3HG GLN 2 7.106 -2.982 -6.273 16 1HE2 GLN 2 1HE2 GLN 2 7.067 -1.722 -8.143 17 2HE2 GLN 2 2HE2 GLN 2 6.972 0.002 -8.080 18 H LYS 3 H LYS 3 2.771 -1.769 -7.587 19 HA LYS 3 HA LYS 3 0.317 -3.219 -6.847 20 1HB LYS 3 2HB LYS 3 0.805 -0.856 -8.632 21 2HB LYS 3 3HB LYS 3 -0.615 -1.868 -8.868 22 1HG LYS 3 2HG LYS 3 -0.057 -0.845 -6.135 23 2HG LYS 3 3HG LYS 3 -0.681 0.278 -7.346 24 1HD LYS 3 2HD LYS 3 -2.392 -1.699 -7.766 25 2HD LYS 3 3HD LYS 3 -1.975 -2.091 -6.096 26 1HE LYS 3 2HE LYS 3 -3.106 0.501 -7.138 27 2HE LYS 3 3HE LYS 3 -3.910 -0.670 -6.094 28 1HZ LYS 3 1HZ LYS 3 -3.210 0.779 -4.526 29 2HZ LYS 3 2HZ LYS 3 -1.895 1.331 -5.435 30 3HZ LYS 3 3HZ LYS 3 -1.795 -0.145 -4.614 31 H GLY 4 H GLY 4 1.960 -2.322 -9.889 32 1HA GLY 4 2HA GLY 4 2.582 -3.604 -11.694 33 2HA GLY 4 3HA GLY 4 2.488 -5.010 -10.644 34 H LEU 5 H LEU 5 -0.345 -3.103 -10.804 35 HA LEU 5 HA LEU 5 -1.507 -4.833 -12.871 36 1HB LEU 5 2HB LEU 5 -2.301 -4.588 -10.033 37 2HB LEU 5 3HB LEU 5 -3.606 -4.623 -11.216 38 HG LEU 5 HG LEU 5 -3.215 -6.839 -10.328 39 1HD1 LEU 5 1HD1 LEU 5 -2.023 -7.277 -12.956 40 2HD1 LEU 5 2HD1 LEU 5 -3.409 -6.188 -12.977 41 3HD1 LEU 5 3HD1 LEU 5 -3.574 -7.810 -12.307 42 1HD2 LEU 5 1HD2 LEU 5 -1.202 -7.757 -9.994 43 2HD2 LEU 5 2HD2 LEU 5 -0.584 -6.117 -10.191 44 3HD2 LEU 5 3HD2 LEU 5 -0.593 -7.227 -11.562 45 H GLU 6 H GLU 6 -3.531 -4.003 -13.761 46 HA GLU 6 HA GLU 6 -3.510 -1.072 -13.806 47 1HB GLU 6 2HB GLU 6 -5.018 -2.867 -15.698 48 2HB GLU 6 3HB GLU 6 -4.547 -1.190 -15.934 49 1HG GLU 6 2HG GLU 6 -2.226 -1.824 -16.110 50 2HG GLU 6 3HG GLU 6 -2.630 -3.503 -15.756 51 H ILE 7 H ILE 7 -5.147 0.110 -13.034 52 HA ILE 7 HA ILE 7 -7.748 -1.142 -12.570 53 HB ILE 7 HB ILE 7 -7.728 0.154 -10.296 54 1HG1 ILE 7 2HG1 ILE 7 -5.295 0.933 -10.968 55 2HG1 ILE 7 3HG1 ILE 7 -5.698 0.579 -9.291 56 1HG2 ILE 7 1HG2 ILE 7 -6.803 -1.916 -9.189 57 2HG2 ILE 7 2HG2 ILE 7 -8.098 -2.183 -10.355 58 3HG2 ILE 7 3HG2 ILE 7 -6.425 -2.509 -10.806 59 1HD1 ILE 7 1HD1 ILE 7 -4.622 -1.605 -10.996 60 2HD1 ILE 7 2HD1 ILE 7 -3.523 -0.367 -10.386 61 3HD1 ILE 7 3HD1 ILE 7 -4.465 -1.343 -9.259 62 H ALA 8 H ALA 8 -9.483 0.289 -12.537 63 HA ALA 8 HA ALA 8 -8.833 3.042 -13.367 64 1HB ALA 8 1HB ALA 8 -10.714 3.067 -14.772 65 2HB ALA 8 2HB ALA 8 -9.963 1.494 -15.043 66 3HB ALA 8 3HB ALA 8 -11.397 1.622 -14.025 67 H PHE 9 H PHE 9 -9.993 4.750 -12.497 68 HA PHE 9 HA PHE 9 -11.755 4.091 -10.230 69 1HB PHE 9 2HB PHE 9 -9.333 5.028 -9.776 70 2HB PHE 9 3HB PHE 9 -10.080 6.568 -10.185 71 HD1 PHE 9 HD1 PHE 9 -10.435 7.783 -8.272 72 HD2 PHE 9 HD2 PHE 9 -11.269 3.609 -8.249 73 HE1 PHE 9 HE1 PHE 9 -11.300 7.972 -5.977 74 HE2 PHE 9 HE2 PHE 9 -12.136 3.792 -5.954 75 HZ PHE 9 HZ PHE 9 -12.154 5.976 -4.815 76 H GLN 10 H GLN 10 -13.610 5.247 -10.035 77 HA GLN 10 HA GLN 10 -14.191 7.144 -12.199 78 1HB GLN 10 2HB GLN 10 -15.721 5.306 -12.184 79 2HB GLN 10 3HB GLN 10 -15.989 5.464 -10.454 80 1HG GLN 10 2HG GLN 10 -17.898 6.329 -11.561 81 2HG GLN 10 3HG GLN 10 -17.009 7.695 -10.888 82 1HE2 GLN 10 1HE2 GLN 10 -18.270 6.245 -13.695 83 2HE2 GLN 10 2HE2 GLN 10 -17.704 7.411 -14.837 84 H THR 11 H THR 11 -15.176 9.134 -11.776 85 HA THR 11 HA THR 11 -15.698 9.989 -9.079 86 HB THR 11 HB THR 11 -13.429 10.415 -8.817 87 HG1 THR 11 HG1 THR 11 -13.246 12.787 -9.311 88 1HG2 THR 11 1HG2 THR 11 -11.985 11.373 -10.566 89 2HG2 THR 11 2HG2 THR 11 -13.354 11.382 -11.678 90 3HG2 THR 11 3HG2 THR 11 -12.715 9.852 -11.078 91 H ILE 12 H ILE 12 -17.307 11.416 -9.131 92 HA ILE 12 HA ILE 12 -17.572 13.195 -11.449 93 HB ILE 12 HB ILE 12 -20.100 12.810 -11.276 94 1HG1 ILE 12 2HG1 ILE 12 -19.062 10.760 -9.443 95 2HG1 ILE 12 3HG1 ILE 12 -20.667 11.476 -9.540 96 1HG2 ILE 12 1HG2 ILE 12 -18.484 10.496 -12.323 97 2HG2 ILE 12 2HG2 ILE 12 -20.034 11.090 -12.918 98 3HG2 ILE 12 3HG2 ILE 12 -18.579 12.064 -13.126 99 1HD1 ILE 12 1HD1 ILE 12 -21.081 10.007 -11.533 100 2HD1 ILE 12 2HD1 ILE 12 -19.571 9.185 -11.138 101 3HD1 ILE 12 3HD1 ILE 12 -20.908 9.173 -9.988 102 H ASN 13 H ASN 13 -18.831 12.387 -8.222 103 HA ASN 13 HA ASN 13 -18.701 15.212 -7.509 104 1HB ASN 13 2HB ASN 13 -21.085 14.330 -8.342 105 2HB ASN 13 3HB ASN 13 -21.180 13.797 -6.666 106 1HD2 ASN 13 1HD2 ASN 13 -20.033 16.666 -8.420 107 2HD2 ASN 13 2HD2 ASN 13 -20.830 17.813 -7.403 108 H GLY 14 H GLY 14 -19.215 15.484 -5.102 109 1HA GLY 14 2HA GLY 14 -19.096 14.709 -2.891 110 2HA GLY 14 3HA GLY 14 -18.668 13.115 -3.496 111 H LEU 15 H LEU 15 -16.931 12.870 -2.095 112 HA LEU 15 HA LEU 15 -14.779 14.828 -2.179 113 1HB LEU 15 2HB LEU 15 -13.952 13.857 -0.277 114 2HB LEU 15 3HB LEU 15 -15.675 13.526 -0.107 115 HG LEU 15 HG LEU 15 -13.534 11.588 -0.978 116 1HD1 LEU 15 1HD1 LEU 15 -14.865 10.520 1.153 117 2HD1 LEU 15 2HD1 LEU 15 -14.824 12.235 1.562 118 3HD1 LEU 15 3HD1 LEU 15 -13.322 11.371 1.236 119 1HD2 LEU 15 1HD2 LEU 15 -16.481 11.064 -0.631 120 2HD2 LEU 15 2HD2 LEU 15 -15.246 9.932 -1.183 121 3HD2 LEU 15 3HD2 LEU 15 -15.697 11.307 -2.192 122 H ASP 16 H ASP 16 -15.644 12.718 -4.327 123 HA ASP 16 HA ASP 16 -13.608 10.876 -4.719 124 1HB ASP 16 2HB ASP 16 -15.099 12.385 -6.876 125 2HB ASP 16 3HB ASP 16 -14.277 10.838 -7.060 126 H GLU 17 H GLU 17 -13.840 14.197 -5.983 127 HA GLU 17 HA GLU 17 -11.498 14.310 -7.425 128 1HB GLU 17 2HB GLU 17 -11.503 16.750 -6.954 129 2HB GLU 17 3HB GLU 17 -13.069 16.137 -7.467 130 1HG GLU 17 2HG GLU 17 -13.798 17.360 -5.731 131 2HG GLU 17 3HG GLU 17 -13.360 15.920 -4.815 132 H SER 18 H SER 18 -11.945 14.846 -3.951 133 HA SER 18 HA SER 18 -9.321 15.606 -3.340 134 1HB SER 18 2HB SER 18 -9.935 15.426 -1.116 135 2HB SER 18 3HB SER 18 -11.519 15.553 -1.881 136 HG SER 18 HG SER 18 -11.891 13.742 -0.883 137 H LEU 19 H LEU 19 -10.830 12.409 -3.485 138 HA LEU 19 HA LEU 19 -8.573 10.970 -2.558 139 1HB LEU 19 2HB LEU 19 -11.128 10.320 -2.932 140 2HB LEU 19 3HB LEU 19 -10.473 9.689 -4.441 141 HG LEU 19 HG LEU 19 -10.012 8.766 -1.637 142 1HD1 LEU 19 1HD1 LEU 19 -11.678 7.805 -3.368 143 2HD1 LEU 19 2HD1 LEU 19 -10.662 6.698 -2.445 144 3HD1 LEU 19 3HD1 LEU 19 -10.241 7.099 -4.110 145 1HD2 LEU 19 1HD2 LEU 19 -8.100 7.419 -2.472 146 2HD2 LEU 19 2HD2 LEU 19 -7.771 9.151 -2.409 147 3HD2 LEU 19 3HD2 LEU 19 -8.123 8.375 -3.954 148 H VAL 20 H VAL 20 -9.692 11.919 -5.763 149 HA VAL 20 HA VAL 20 -7.883 10.401 -7.284 150 HB VAL 20 HB VAL 20 -8.939 13.118 -8.058 151 1HG1 VAL 20 1HG1 VAL 20 -7.453 12.497 -9.709 152 2HG1 VAL 20 2HG1 VAL 20 -7.803 10.777 -9.526 153 3HG1 VAL 20 3HG1 VAL 20 -8.967 11.835 -10.326 154 1HG2 VAL 20 1HG2 VAL 20 -10.585 11.157 -9.167 155 2HG2 VAL 20 2HG2 VAL 20 -10.393 10.697 -7.476 156 3HG2 VAL 20 3HG2 VAL 20 -11.002 12.300 -7.890 157 H GLN 21 H GLN 21 -7.689 13.810 -6.254 158 HA GLN 21 HA GLN 21 -5.075 14.217 -7.262 159 1HB GLN 21 2HB GLN 21 -5.100 16.281 -5.928 160 2HB GLN 21 3HB GLN 21 -6.587 16.082 -6.845 161 1HG GLN 21 2HG GLN 21 -7.532 15.051 -4.690 162 2HG GLN 21 3HG GLN 21 -6.142 15.796 -3.902 163 1HE2 GLN 21 1HE2 GLN 21 -7.357 17.225 -2.710 164 2HE2 GLN 21 2HE2 GLN 21 -8.196 18.560 -3.415 165 H ALA 22 H ALA 22 -6.325 13.287 -4.095 166 HA ALA 22 HA ALA 22 -3.879 13.433 -2.695 167 1HB ALA 22 1HB ALA 22 -6.447 11.964 -2.199 168 2HB ALA 22 2HB ALA 22 -5.061 11.793 -1.122 169 3HB ALA 22 3HB ALA 22 -5.800 13.376 -1.364 170 H LEU 23 H LEU 23 -5.575 10.639 -4.119 171 HA LEU 23 HA LEU 23 -3.562 8.758 -3.538 172 1HB LEU 23 2HB LEU 23 -4.815 7.249 -4.723 173 2HB LEU 23 3HB LEU 23 -6.031 8.452 -4.301 174 HG LEU 23 HG LEU 23 -5.415 9.426 -6.669 175 1HD1 LEU 23 1HD1 LEU 23 -4.189 6.747 -6.640 176 2HD1 LEU 23 2HD1 LEU 23 -3.805 8.166 -7.615 177 3HD1 LEU 23 3HD1 LEU 23 -5.166 7.135 -8.057 178 1HD2 LEU 23 1HD2 LEU 23 -7.626 8.759 -6.181 179 2HD2 LEU 23 2HD2 LEU 23 -7.172 7.058 -6.072 180 3HD2 LEU 23 3HD2 LEU 23 -7.167 7.874 -7.636 181 H ALA 24 H ALA 24 -4.055 10.942 -6.236 182 HA ALA 24 HA ALA 24 -2.274 9.843 -8.080 183 1HB ALA 24 1HB ALA 24 -3.238 12.638 -7.592 184 2HB ALA 24 2HB ALA 24 -2.053 12.288 -8.852 185 3HB ALA 24 3HB ALA 24 -3.646 11.532 -8.905 186 H GLY 25 H GLY 25 -1.666 12.421 -5.685 187 1HA GLY 25 2HA GLY 25 1.114 12.586 -6.217 188 2HA GLY 25 3HA GLY 25 0.297 13.217 -4.794 189 H VAL 26 H VAL 26 -0.699 10.957 -3.625 190 HA VAL 26 HA VAL 26 1.469 9.976 -2.185 191 HB VAL 26 HB VAL 26 -1.227 8.668 -2.574 192 1HG1 VAL 26 1HG1 VAL 26 -0.698 7.666 -0.321 193 2HG1 VAL 26 2HG1 VAL 26 0.242 7.037 -1.676 194 3HG1 VAL 26 3HG1 VAL 26 0.965 8.200 -0.564 195 1HG2 VAL 26 1HG2 VAL 26 -0.641 11.116 -1.431 196 2HG2 VAL 26 2HG2 VAL 26 -2.099 10.161 -1.163 197 3HG2 VAL 26 3HG2 VAL 26 -0.736 10.021 -0.052 198 H THR 27 H THR 27 -0.374 8.371 -4.776 199 HA THR 27 HA THR 27 1.108 6.001 -4.845 200 HB THR 27 HB THR 27 -0.288 7.339 -7.171 201 HG1 THR 27 HG1 THR 27 -2.022 5.895 -6.490 202 1HG2 THR 27 1HG2 THR 27 -0.375 5.187 -8.186 203 2HG2 THR 27 2HG2 THR 27 0.245 4.404 -6.732 204 3HG2 THR 27 3HG2 THR 27 1.297 5.445 -7.691 205 H ALA 28 H ALA 28 1.411 8.885 -6.922 206 HA ALA 28 HA ALA 28 3.596 8.056 -8.422 207 1HB ALA 28 1HB ALA 28 2.587 10.762 -7.627 208 2HB ALA 28 2HB ALA 28 4.059 10.587 -8.583 209 3HB ALA 28 3HB ALA 28 2.528 9.968 -9.201 210 H SER 29 H SER 29 3.475 9.527 -5.227 211 HA SER 29 HA SER 29 6.304 9.919 -5.029 212 1HB SER 29 2HB SER 29 4.231 9.835 -2.824 213 2HB SER 29 3HB SER 29 5.864 10.489 -2.696 214 HG SER 29 HG SER 29 5.107 11.883 -4.549 215 H ASP 30 H ASP 30 4.064 7.367 -4.206 216 HA ASP 30 HA ASP 30 5.971 5.888 -2.634 217 1HB ASP 30 2HB ASP 30 3.513 5.764 -2.241 218 2HB ASP 30 3HB ASP 30 3.338 4.958 -3.797 219 H PHE 31 H PHE 31 5.286 6.251 -5.949 220 HA PHE 31 HA PHE 31 6.744 3.772 -6.582 221 1HB PHE 31 2HB PHE 31 4.604 5.283 -8.042 222 2HB PHE 31 3HB PHE 31 5.730 4.271 -8.941 223 HD1 PHE 31 HD1 PHE 31 2.779 4.353 -6.917 224 HD2 PHE 31 HD2 PHE 31 5.891 1.825 -8.345 225 HE1 PHE 31 HE1 PHE 31 1.407 2.377 -6.399 226 HE2 PHE 31 HE2 PHE 31 4.524 -0.154 -7.831 227 HZ PHE 31 HZ PHE 31 2.279 0.120 -6.858 228 HA PRO 32 HA PRO 32 9.592 7.294 -7.582 229 1HB PRO 32 2HB PRO 32 11.802 6.099 -6.553 230 2HB PRO 32 3HB PRO 32 10.688 7.062 -5.576 231 1HG PRO 32 2HG PRO 32 10.867 4.088 -5.867 232 2HG PRO 32 3HG PRO 32 10.628 5.056 -4.401 233 1HD PRO 32 2HD PRO 32 8.588 3.810 -5.672 234 2HD PRO 32 3HD PRO 32 8.378 5.346 -4.807 235 H ASP 33 H ASP 33 9.416 3.930 -8.279 236 HA ASP 33 HA ASP 33 11.646 3.568 -9.921 237 1HB ASP 33 2HB ASP 33 8.905 2.308 -10.165 238 2HB ASP 33 3HB ASP 33 10.373 1.716 -10.939 239 H LEU 34 H LEU 34 8.822 5.433 -10.411 240 HA LEU 34 HA LEU 34 8.158 6.794 -12.109 241 1HB LEU 34 2HB LEU 34 10.971 6.488 -12.461 242 2HB LEU 34 3HB LEU 34 10.201 6.489 -14.047 243 HG LEU 34 HG LEU 34 9.199 8.633 -12.378 244 1HD1 LEU 34 1HD1 LEU 34 11.686 8.201 -11.627 245 2HD1 LEU 34 2HD1 LEU 34 11.075 9.835 -11.882 246 3HD1 LEU 34 3HD1 LEU 34 12.044 9.052 -13.130 247 1HD2 LEU 34 1HD2 LEU 34 9.376 9.853 -14.325 248 2HD2 LEU 34 2HD2 LEU 34 9.198 8.213 -14.949 249 3HD2 LEU 34 3HD2 LEU 34 10.794 8.963 -14.881 250 H ASP 35 H ASP 35 8.096 3.674 -12.175 251 HA ASP 35 HA ASP 35 7.599 3.264 -15.022 252 1HB ASP 35 2HB ASP 35 7.402 1.248 -12.778 253 2HB ASP 35 3HB ASP 35 7.466 0.912 -14.507 254 H ILE 36 H ILE 36 5.900 4.468 -12.519 255 HA ILE 36 HA ILE 36 3.426 3.068 -12.757 256 HB ILE 36 HB ILE 36 3.964 4.316 -10.730 257 1HG1 ILE 36 2HG1 ILE 36 1.568 5.326 -12.268 258 2HG1 ILE 36 3HG1 ILE 36 1.624 3.963 -11.157 259 1HG2 ILE 36 1HG2 ILE 36 4.157 6.668 -10.638 260 2HG2 ILE 36 2HG2 ILE 36 5.176 6.149 -11.980 261 3HG2 ILE 36 3HG2 ILE 36 3.591 6.854 -12.297 262 1HD1 ILE 36 1HD1 ILE 36 1.625 6.884 -10.569 263 2HD1 ILE 36 2HD1 ILE 36 0.631 5.598 -9.885 264 3HD1 ILE 36 3HD1 ILE 36 2.324 5.749 -9.414 265 H LYS 37 H LYS 37 1.924 3.244 -14.277 266 HA LYS 37 HA LYS 37 2.024 5.571 -16.080 267 1HB LYS 37 2HB LYS 37 1.653 2.694 -16.532 268 2HB LYS 37 3HB LYS 37 0.493 3.704 -17.384 269 1HG LYS 37 2HG LYS 37 2.185 3.522 -18.926 270 2HG LYS 37 3HG LYS 37 2.596 5.040 -18.123 271 1HD LYS 37 2HD LYS 37 3.755 2.756 -16.767 272 2HD LYS 37 3HD LYS 37 4.251 2.833 -18.459 273 1HE LYS 37 2HE LYS 37 4.306 5.393 -17.008 274 2HE LYS 37 3HE LYS 37 5.459 4.184 -16.445 275 1HZ LYS 37 1HZ LYS 37 5.456 5.719 -18.873 276 2HZ LYS 37 2HZ LYS 37 5.705 4.068 -19.139 277 3HZ LYS 37 3HZ LYS 37 6.733 4.921 -18.101 278 H TYR 38 H TYR 38 0.724 6.735 -14.494 279 HA TYR 38 HA TYR 38 -2.126 6.003 -14.670 280 1HB TYR 38 2HB TYR 38 -1.841 5.779 -12.412 281 2HB TYR 38 3HB TYR 38 -0.482 6.897 -12.362 282 HD1 TYR 38 HD1 TYR 38 -0.851 9.296 -12.144 283 HD2 TYR 38 HD2 TYR 38 -4.121 6.575 -12.210 284 HE1 TYR 38 HE1 TYR 38 -2.331 11.062 -11.283 285 HE2 TYR 38 HE2 TYR 38 -5.610 8.333 -11.351 286 HH TYR 38 HH TYR 38 -5.385 10.453 -10.033 287 H ASN 39 H ASN 39 -3.621 7.685 -14.935 288 HA ASN 39 HA ASN 39 -2.748 10.415 -15.180 289 1HB ASN 39 2HB ASN 39 -2.185 9.116 -17.391 290 2HB ASN 39 3HB ASN 39 -3.913 9.274 -17.694 291 1HD2 ASN 39 1HD2 ASN 39 -4.596 11.066 -18.629 292 2HD2 ASN 39 2HD2 ASN 39 -3.695 12.533 -18.779 293 H ILE 40 H ILE 40 -4.528 11.887 -15.626 294 HA ILE 40 HA ILE 40 -7.153 10.688 -15.022 295 HB ILE 40 HB ILE 40 -7.187 13.398 -14.228 296 1HG1 ILE 40 2HG1 ILE 40 -4.791 11.884 -13.170 297 2HG1 ILE 40 3HG1 ILE 40 -4.757 13.366 -14.119 298 1HG2 ILE 40 1HG2 ILE 40 -8.528 11.576 -13.297 299 2HG2 ILE 40 2HG2 ILE 40 -7.080 10.881 -12.571 300 3HG2 ILE 40 3HG2 ILE 40 -7.667 12.454 -12.033 301 1HD1 ILE 40 1HD1 ILE 40 -5.628 12.983 -11.280 302 2HD1 ILE 40 2HD1 ILE 40 -4.375 14.046 -11.922 303 3HD1 ILE 40 3HD1 ILE 40 -6.076 14.414 -12.209 304 H PHE 41 H PHE 41 -8.671 11.029 -16.497 305 HA PHE 41 HA PHE 41 -8.463 13.402 -18.224 306 1HB PHE 41 2HB PHE 41 -9.523 11.824 -20.011 307 2HB PHE 41 3HB PHE 41 -7.787 11.758 -19.723 308 HD1 PHE 41 HD1 PHE 41 -6.854 9.675 -19.588 309 HD2 PHE 41 HD2 PHE 41 -10.897 10.198 -18.366 310 HE1 PHE 41 HE1 PHE 41 -7.022 7.264 -19.125 311 HE2 PHE 41 HE2 PHE 41 -11.072 7.789 -17.900 312 HZ PHE 41 HZ PHE 41 -9.133 6.318 -18.279 313 H LEU 42 H LEU 42 -10.467 14.168 -19.093 314 HA LEU 42 HA LEU 42 -12.793 13.353 -17.481 315 1HB LEU 42 2HB LEU 42 -12.425 15.534 -16.855 316 2HB LEU 42 3HB LEU 42 -11.826 16.000 -18.446 317 HG LEU 42 HG LEU 42 -14.077 16.067 -19.320 318 1HD1 LEU 42 1HD1 LEU 42 -15.527 14.632 -18.410 319 2HD1 LEU 42 2HD1 LEU 42 -15.804 15.892 -17.208 320 3HD1 LEU 42 3HD1 LEU 42 -14.665 14.588 -16.872 321 1HD2 LEU 42 1HD2 LEU 42 -15.012 17.720 -17.427 322 2HD2 LEU 42 2HD2 LEU 42 -13.728 18.165 -18.552 323 3HD2 LEU 42 3HD2 LEU 42 -13.324 17.621 -16.923 324 H VAL 43 H VAL 43 -14.439 12.464 -18.529 325 HA VAL 43 HA VAL 43 -14.542 12.718 -21.456 326 HB VAL 43 HB VAL 43 -15.409 10.617 -21.606 327 1HG1 VAL 43 1HG1 VAL 43 -14.353 10.051 -18.887 328 2HG1 VAL 43 2HG1 VAL 43 -14.063 9.212 -20.412 329 3HG1 VAL 43 3HG1 VAL 43 -13.254 10.744 -20.079 330 1HG2 VAL 43 1HG2 VAL 43 -16.704 9.534 -19.725 331 2HG2 VAL 43 2HG2 VAL 43 -16.658 11.097 -18.910 332 3HG2 VAL 43 3HG2 VAL 43 -17.463 10.940 -20.471 333 H ASP 44 H ASP 44 -16.265 13.582 -22.470 334 HA ASP 44 HA ASP 44 -18.666 14.191 -20.894 335 1HB ASP 44 2HB ASP 44 -18.719 16.419 -22.188 336 2HB ASP 44 3HB ASP 44 -17.597 16.280 -20.837 337 H LEU 45 H LEU 45 -20.092 12.878 -21.874 338 HA LEU 45 HA LEU 45 -20.680 13.385 -24.683 339 1HB LEU 45 2HB LEU 45 -19.333 11.044 -23.770 340 2HB LEU 45 3HB LEU 45 -20.945 10.589 -24.319 341 HG LEU 45 HG LEU 45 -19.343 10.324 -26.111 342 1HD1 LEU 45 1HD1 LEU 45 -20.570 11.339 -27.787 343 2HD1 LEU 45 2HD1 LEU 45 -20.867 12.793 -26.834 344 3HD1 LEU 45 3HD1 LEU 45 -21.718 11.298 -26.448 345 1HD2 LEU 45 1HD2 LEU 45 -18.824 13.232 -26.323 346 2HD2 LEU 45 2HD2 LEU 45 -17.801 11.861 -26.753 347 3HD2 LEU 45 3HD2 LEU 45 -17.960 12.349 -25.065 348 H TYR 46 H TYR 46 -22.788 12.579 -25.334 349 HA TYR 46 HA TYR 46 -25.027 12.304 -25.047 350 1HB TYR 46 2HB TYR 46 -24.250 11.011 -22.425 351 2HB TYR 46 3HB TYR 46 -25.801 10.854 -23.242 352 HD1 TYR 46 HD1 TYR 46 -22.456 9.582 -22.951 353 HD2 TYR 46 HD2 TYR 46 -25.861 9.705 -25.501 354 HE1 TYR 46 HE1 TYR 46 -21.606 7.623 -24.171 355 HE2 TYR 46 HE2 TYR 46 -25.020 7.746 -26.727 356 HH TYR 46 HH TYR 46 -23.326 5.703 -25.995 357 H GLY 47 H GLY 47 -23.490 14.627 -23.862 358 1HA GLY 47 2HA GLY 47 -24.307 16.640 -23.015 359 2HA GLY 47 3HA GLY 47 -25.772 15.807 -22.516 360 H GLN 48 H GLN 48 -23.640 13.797 -21.322 361 HA GLN 48 HA GLN 48 -23.441 15.245 -18.769 362 1HB GLN 48 2HB GLN 48 -23.276 12.258 -19.148 363 2HB GLN 48 3HB GLN 48 -23.522 13.142 -17.648 364 1HG GLN 48 2HG GLN 48 -25.610 13.894 -19.373 365 2HG GLN 48 3HG GLN 48 -25.455 12.143 -19.494 366 1HE2 GLN 48 1HE2 GLN 48 -25.076 14.475 -16.845 367 2HE2 GLN 48 2HE2 GLN 48 -26.174 13.687 -15.768 368 H LYS 49 H LYS 49 -21.525 15.268 -17.618 369 HA LYS 49 HA LYS 49 -19.156 14.242 -19.037 370 1HB LYS 49 2HB LYS 49 -17.929 16.219 -18.086 371 2HB LYS 49 3HB LYS 49 -19.131 16.613 -19.308 372 1HG LYS 49 2HG LYS 49 -19.645 18.204 -17.781 373 2HG LYS 49 3HG LYS 49 -20.666 16.901 -17.167 374 1HD LYS 49 2HD LYS 49 -19.636 17.235 -15.209 375 2HD LYS 49 3HD LYS 49 -18.251 16.421 -15.941 376 1HE LYS 49 2HE LYS 49 -17.321 18.387 -15.144 377 2HE LYS 49 3HE LYS 49 -17.647 18.773 -16.833 378 1HZ LYS 49 1HZ LYS 49 -19.115 20.330 -16.260 379 2HZ LYS 49 2HZ LYS 49 -18.449 20.242 -14.708 380 3HZ LYS 49 3HZ LYS 49 -19.846 19.364 -15.080 381 H TYR 50 H TYR 50 -17.817 12.999 -17.881 382 HA TYR 50 HA TYR 50 -17.967 13.099 -14.950 383 1HB TYR 50 2HB TYR 50 -17.793 10.495 -16.458 384 2HB TYR 50 3HB TYR 50 -18.109 10.737 -14.744 385 HD1 TYR 50 HD1 TYR 50 -19.627 9.613 -17.533 386 HD2 TYR 50 HD2 TYR 50 -20.241 12.577 -14.543 387 HE1 TYR 50 HE1 TYR 50 -22.045 9.552 -17.978 388 HE2 TYR 50 HE2 TYR 50 -22.661 12.523 -14.978 389 HH TYR 50 HH TYR 50 -24.203 10.143 -16.506 390 H PHE 51 H PHE 51 -16.087 12.320 -13.859 391 HA PHE 51 HA PHE 51 -13.669 12.533 -15.513 392 1HB PHE 51 2HB PHE 51 -14.120 12.992 -12.561 393 2HB PHE 51 3HB PHE 51 -12.528 12.993 -13.313 394 HD1 PHE 51 HD1 PHE 51 -15.868 14.612 -13.628 395 HD2 PHE 51 HD2 PHE 51 -11.651 14.980 -14.078 396 HE1 PHE 51 HE1 PHE 51 -16.138 16.993 -14.185 397 HE2 PHE 51 HE2 PHE 51 -11.915 17.362 -14.634 398 HZ PHE 51 HZ PHE 51 -14.160 18.372 -14.687 399 H ARG 52 H ARG 52 -12.281 10.880 -15.701 400 HA ARG 52 HA ARG 52 -12.525 8.611 -13.854 401 1HB ARG 52 2HB ARG 52 -12.595 8.518 -16.865 402 2HB ARG 52 3HB ARG 52 -12.153 7.118 -15.897 403 1HG ARG 52 2HG ARG 52 -14.348 6.667 -16.046 404 2HG ARG 52 3HG ARG 52 -14.458 7.798 -14.696 405 1HD ARG 52 2HD ARG 52 -15.038 9.596 -16.162 406 2HD ARG 52 3HD ARG 52 -14.702 8.611 -17.585 407 HE ARG 52 HE ARG 52 -17.124 8.687 -16.105 408 1HH1 ARG 52 2HH1 ARG 52 -15.041 6.554 -17.902 409 2HH1 ARG 52 1HH1 ARG 52 -16.317 5.471 -18.348 410 1HH2 ARG 52 2HH2 ARG 52 -18.813 7.268 -16.685 411 2HH2 ARG 52 1HH2 ARG 52 -18.462 5.878 -17.655 412 H ILE 53 H ILE 53 -10.635 7.403 -13.547 413 HA ILE 53 HA ILE 53 -8.190 8.615 -14.662 414 HB ILE 53 HB ILE 53 -7.098 8.548 -12.643 415 1HG1 ILE 53 2HG1 ILE 53 -8.245 7.147 -10.694 416 2HG1 ILE 53 3HG1 ILE 53 -8.923 6.262 -12.056 417 1HG2 ILE 53 1HG2 ILE 53 -9.753 8.777 -11.339 418 2HG2 ILE 53 2HG2 ILE 53 -8.344 9.832 -11.235 419 3HG2 ILE 53 3HG2 ILE 53 -9.385 9.889 -12.657 420 1HD1 ILE 53 1HD1 ILE 53 -6.380 5.985 -10.874 421 2HD1 ILE 53 2HD1 ILE 53 -7.045 5.122 -12.261 422 3HD1 ILE 53 3HD1 ILE 53 -6.139 6.615 -12.503 423 H LEU 54 H LEU 54 -6.661 7.272 -15.467 424 HA LEU 54 HA LEU 54 -7.216 4.382 -15.319 425 1HB LEU 54 2HB LEU 54 -7.278 5.834 -17.557 426 2HB LEU 54 3HB LEU 54 -5.552 5.478 -17.513 427 HG LEU 54 HG LEU 54 -7.858 3.587 -17.837 428 1HD1 LEU 54 1HD1 LEU 54 -6.315 2.785 -19.681 429 2HD1 LEU 54 2HD1 LEU 54 -5.356 4.232 -19.372 430 3HD1 LEU 54 3HD1 LEU 54 -7.034 4.382 -19.893 431 1HD2 LEU 54 1HD2 LEU 54 -6.699 2.391 -16.234 432 2HD2 LEU 54 2HD2 LEU 54 -5.133 3.029 -16.737 433 3HD2 LEU 54 3HD2 LEU 54 -5.954 1.823 -17.729 434 H PHE 55 H PHE 55 -5.791 3.293 -14.153 435 HA PHE 55 HA PHE 55 -3.002 4.242 -14.092 436 1HB PHE 55 2HB PHE 55 -3.789 4.632 -11.912 437 2HB PHE 55 3HB PHE 55 -4.733 3.146 -11.890 438 HD1 PHE 55 HD1 PHE 55 -1.198 3.529 -12.922 439 HD2 PHE 55 HD2 PHE 55 -3.908 2.098 -9.969 440 HE1 PHE 55 HE1 PHE 55 0.654 2.375 -11.787 441 HE2 PHE 55 HE2 PHE 55 -2.060 0.942 -8.828 442 HZ PHE 55 HZ PHE 55 0.225 1.080 -9.736 443 H GLN 56 H GLN 56 -1.615 2.876 -14.983 444 HA GLN 56 HA GLN 56 -2.123 -0.008 -14.779 445 1HB GLN 56 2HB GLN 56 -1.310 -0.269 -17.124 446 2HB GLN 56 3HB GLN 56 -2.850 0.569 -16.993 447 1HG GLN 56 2HG GLN 56 -1.575 2.724 -17.158 448 2HG GLN 56 3HG GLN 56 -0.151 1.762 -17.550 449 1HE2 GLN 56 1HE2 GLN 56 -3.506 2.290 -18.545 450 2HE2 GLN 56 2HE2 GLN 56 -3.227 2.050 -20.233 451 H SER 57 H SER 57 -0.249 -1.334 -14.894 452 HA SER 57 HA SER 57 2.257 0.126 -14.364 453 1HB SER 57 2HB SER 57 1.112 -1.218 -12.455 454 2HB SER 57 3HB SER 57 1.716 -2.638 -13.310 455 HG SER 57 HG SER 57 3.194 -0.516 -12.164 456 H LYS 58 H LYS 58 4.188 -1.537 -14.596 457 HA LYS 58 HA LYS 58 4.004 -2.541 -17.335 458 1HB LYS 58 2HB LYS 58 5.860 -0.966 -16.410 459 2HB LYS 58 3HB LYS 58 6.534 -2.438 -15.722 460 1HG LYS 58 2HG LYS 58 7.656 -2.375 -17.700 461 2HG LYS 58 3HG LYS 58 6.247 -3.323 -18.184 462 1HD LYS 58 2HD LYS 58 6.447 -1.727 -19.874 463 2HD LYS 58 3HD LYS 58 5.203 -1.057 -18.816 464 1HE LYS 58 2HE LYS 58 6.985 0.287 -17.700 465 2HE LYS 58 3HE LYS 58 8.117 -0.289 -18.923 466 1HZ LYS 58 1HZ LYS 58 7.429 1.696 -19.808 467 2HZ LYS 58 2HZ LYS 58 5.850 1.558 -19.218 468 3HZ LYS 58 3HZ LYS 58 6.340 0.633 -20.547 469 H LYS 59 H LYS 59 4.248 -3.645 -14.081 470 HA LYS 59 HA LYS 59 5.279 -6.252 -14.714 471 1HB LYS 59 2HB LYS 59 3.842 -5.438 -12.190 472 2HB LYS 59 3HB LYS 59 4.986 -6.757 -12.399 473 1HG LYS 59 2HG LYS 59 6.333 -4.416 -13.171 474 2HG LYS 59 3HG LYS 59 5.475 -4.036 -11.676 475 1HD LYS 59 2HD LYS 59 7.532 -4.867 -10.947 476 2HD LYS 59 3HD LYS 59 6.442 -6.247 -10.795 477 1HE LYS 59 2HE LYS 59 7.492 -7.416 -12.413 478 2HE LYS 59 3HE LYS 59 7.791 -5.985 -13.397 479 1HZ LYS 59 1HZ LYS 59 9.539 -5.397 -11.706 480 2HZ LYS 59 2HZ LYS 59 9.881 -6.737 -12.680 481 3HZ LYS 59 3HZ LYS 59 9.362 -6.961 -11.085 482 H LEU 60 H LEU 60 2.364 -4.821 -15.274 483 HA LEU 60 HA LEU 60 0.389 -6.556 -14.490 484 1HB LEU 60 2HB LEU 60 -0.005 -4.457 -15.690 485 2HB LEU 60 3HB LEU 60 0.630 -5.185 -17.164 486 HG LEU 60 HG LEU 60 -1.920 -4.972 -16.881 487 1HD1 LEU 60 1HD1 LEU 60 -0.451 -6.466 -18.475 488 2HD1 LEU 60 2HD1 LEU 60 -2.201 -6.659 -18.393 489 3HD1 LEU 60 3HD1 LEU 60 -1.150 -7.772 -17.518 490 1HD2 LEU 60 1HD2 LEU 60 -3.018 -6.744 -15.692 491 2HD2 LEU 60 2HD2 LEU 60 -1.938 -5.904 -14.579 492 3HD2 LEU 60 3HD2 LEU 60 -1.471 -7.467 -15.251 493 H SER 61 H SER 61 0.633 -8.713 -14.532 494 HA SER 61 HA SER 61 1.463 -9.966 -17.063 495 1HB SER 61 2HB SER 61 1.630 -10.935 -14.207 496 2HB SER 61 3HB SER 61 1.885 -11.998 -15.591 497 HG SER 61 HG SER 61 3.726 -10.991 -16.052 498 H GLU 62 H GLU 62 0.302 -11.742 -17.871 499 HA GLU 62 HA GLU 62 -2.516 -11.586 -17.487 500 1HB GLU 62 2HB GLU 62 -0.715 -13.359 -19.110 501 2HB GLU 62 3HB GLU 62 -2.435 -13.702 -18.987 502 1HG GLU 62 2HG GLU 62 -2.983 -11.572 -19.952 503 2HG GLU 62 3HG GLU 62 -1.286 -11.094 -19.949 504 H LEU 63 H LEU 63 -0.011 -13.855 -16.482 505 HA LEU 63 HA LEU 63 -1.895 -15.682 -15.292 506 1HB LEU 63 2HB LEU 63 1.096 -15.496 -15.371 507 2HB LEU 63 3HB LEU 63 0.284 -16.650 -14.315 508 HG LEU 63 HG LEU 63 0.983 -17.764 -16.327 509 1HD1 LEU 63 1HD1 LEU 63 -1.039 -18.797 -16.930 510 2HD1 LEU 63 2HD1 LEU 63 -1.977 -17.340 -16.609 511 3HD1 LEU 63 3HD1 LEU 63 -1.275 -18.248 -15.271 512 1HD2 LEU 63 1HD2 LEU 63 0.571 -15.371 -17.579 513 2HD2 LEU 63 2HD2 LEU 63 -0.787 -16.332 -18.163 514 3HD2 LEU 63 3HD2 LEU 63 0.865 -16.908 -18.392 515 H HIS 64 H HIS 64 -1.104 -16.401 -12.915 516 HA HIS 64 HA HIS 64 -1.143 -15.913 -10.693 517 1HB HIS 64 2HB HIS 64 0.918 -14.506 -11.566 518 2HB HIS 64 3HB HIS 64 -0.128 -13.144 -11.175 519 HD1 HIS 64 HD1 HIS 64 -1.229 -15.147 -8.677 520 HD2 HIS 64 HD2 HIS 64 2.513 -13.482 -9.370 521 HE1 HIS 64 HE1 HIS 64 -0.090 -15.098 -6.436 522 HA PRO 65 HA PRO 65 -5.054 -13.504 -11.391 523 1HB PRO 65 2HB PRO 65 -6.683 -15.379 -10.295 524 2HB PRO 65 3HB PRO 65 -6.205 -15.398 -11.997 525 1HG PRO 65 2HG PRO 65 -5.095 -16.965 -9.699 526 2HG PRO 65 3HG PRO 65 -5.471 -17.507 -11.345 527 1HD PRO 65 2HD PRO 65 -2.952 -16.919 -10.545 528 2HD PRO 65 3HD PRO 65 -3.511 -16.654 -12.209 529 H GLU 66 H GLU 66 -3.703 -15.225 -8.646 530 HA GLU 66 HA GLU 66 -5.320 -14.225 -6.606 531 1HB GLU 66 2HB GLU 66 -2.961 -15.758 -6.797 532 2HB GLU 66 3HB GLU 66 -2.588 -14.418 -5.722 533 1HG GLU 66 2HG GLU 66 -4.929 -15.127 -4.678 534 2HG GLU 66 3HG GLU 66 -4.453 -16.682 -5.359 535 H GLU 67 H GLU 67 -2.763 -12.724 -8.417 536 HA GLU 67 HA GLU 67 -2.251 -10.585 -6.610 537 1HB GLU 67 2HB GLU 67 -1.738 -10.869 -9.574 538 2HB GLU 67 3HB GLU 67 -1.181 -9.509 -8.608 539 1HG GLU 67 2HG GLU 67 -0.471 -12.293 -7.805 540 2HG GLU 67 3HG GLU 67 0.413 -11.493 -9.103 541 H ARG 68 H ARG 68 -4.422 -11.026 -9.351 542 HA ARG 68 HA ARG 68 -5.274 -8.427 -9.753 543 1HB ARG 68 2HB ARG 68 -6.224 -11.079 -10.401 544 2HB ARG 68 3HB ARG 68 -7.571 -10.012 -10.026 545 1HG ARG 68 2HG ARG 68 -7.396 -8.985 -11.982 546 2HG ARG 68 3HG ARG 68 -5.670 -8.701 -11.749 547 1HD ARG 68 2HD ARG 68 -6.287 -10.080 -13.764 548 2HD ARG 68 3HD ARG 68 -5.107 -10.806 -12.674 549 HE ARG 68 HE ARG 68 -7.682 -11.662 -11.947 550 1HH1 ARG 68 2HH1 ARG 68 -5.342 -12.048 -14.495 551 2HH1 ARG 68 1HH1 ARG 68 -5.876 -13.640 -14.922 552 1HH2 ARG 68 2HH2 ARG 68 -8.394 -13.758 -12.499 553 2HH2 ARG 68 1HH2 ARG 68 -7.612 -14.611 -13.786 554 H LYS 69 H LYS 69 -6.704 -10.853 -7.571 555 HA LYS 69 HA LYS 69 -8.630 -9.114 -6.458 556 1HB LYS 69 2HB LYS 69 -8.828 -10.827 -4.677 557 2HB LYS 69 3HB LYS 69 -8.898 -11.512 -6.295 558 1HG LYS 69 2HG LYS 69 -6.583 -12.227 -6.114 559 2HG LYS 69 3HG LYS 69 -6.472 -11.498 -4.510 560 1HD LYS 69 2HD LYS 69 -8.560 -13.560 -5.119 561 2HD LYS 69 3HD LYS 69 -6.913 -14.038 -4.700 562 1HE LYS 69 2HE LYS 69 -7.127 -12.651 -2.631 563 2HE LYS 69 3HE LYS 69 -8.826 -12.407 -3.036 564 1HZ LYS 69 1HZ LYS 69 -8.337 -15.139 -3.168 565 2HZ LYS 69 2HZ LYS 69 -9.269 -14.310 -2.026 566 3HZ LYS 69 3HZ LYS 69 -7.628 -14.596 -1.732 567 H LYS 70 H LYS 70 -5.319 -9.902 -5.567 568 HA LYS 70 HA LYS 70 -5.254 -8.727 -3.030 569 1HB LYS 70 2HB LYS 70 -3.478 -10.180 -4.100 570 2HB LYS 70 3HB LYS 70 -2.962 -8.757 -4.996 571 1HG LYS 70 2HG LYS 70 -1.530 -8.962 -3.124 572 2HG LYS 70 3HG LYS 70 -2.617 -7.610 -2.794 573 1HD LYS 70 2HD LYS 70 -2.485 -8.878 -0.793 574 2HD LYS 70 3HD LYS 70 -4.058 -9.235 -1.511 575 1HE LYS 70 2HE LYS 70 -3.398 -11.362 -2.193 576 2HE LYS 70 3HE LYS 70 -1.683 -10.970 -2.081 577 1HZ LYS 70 1HZ LYS 70 -3.581 -11.556 0.105 578 2HZ LYS 70 2HZ LYS 70 -2.136 -10.728 0.401 579 3HZ LYS 70 3HZ LYS 70 -2.097 -12.295 -0.234 580 H VAL 71 H VAL 71 -4.315 -7.325 -6.172 581 HA VAL 71 HA VAL 71 -3.810 -4.734 -5.158 582 HB VAL 71 HB VAL 71 -3.881 -3.990 -7.500 583 1HG1 VAL 71 1HG1 VAL 71 -1.836 -4.824 -7.848 584 2HG1 VAL 71 2HG1 VAL 71 -2.078 -5.709 -6.340 585 3HG1 VAL 71 3HG1 VAL 71 -2.426 -6.486 -7.886 586 1HG2 VAL 71 1HG2 VAL 71 -5.763 -5.364 -8.246 587 2HG2 VAL 71 2HG2 VAL 71 -4.360 -5.576 -9.293 588 3HG2 VAL 71 3HG2 VAL 71 -4.766 -6.811 -8.102 589 H ARG 72 H ARG 72 -6.694 -6.315 -6.372 590 HA ARG 72 HA ARG 72 -8.308 -4.065 -6.778 591 1HB ARG 72 2HB ARG 72 -8.855 -6.945 -6.168 592 2HB ARG 72 3HB ARG 72 -10.182 -5.791 -6.149 593 1HG ARG 72 2HG ARG 72 -8.331 -6.126 -8.493 594 2HG ARG 72 3HG ARG 72 -9.836 -7.028 -8.305 595 1HD ARG 72 2HD ARG 72 -10.794 -4.580 -7.911 596 2HD ARG 72 3HD ARG 72 -9.396 -4.153 -8.897 597 HE ARG 72 HE ARG 72 -10.810 -6.260 -10.120 598 1HH1 ARG 72 2HH1 ARG 72 -11.071 -2.854 -9.450 599 2HH1 ARG 72 1HH1 ARG 72 -12.071 -2.527 -10.827 600 1HH2 ARG 72 2HH2 ARG 72 -12.126 -5.843 -11.936 601 2HH2 ARG 72 1HH2 ARG 72 -12.671 -4.228 -12.239 602 H GLU 73 H GLU 73 -7.935 -6.114 -3.892 603 HA GLU 73 HA GLU 73 -9.688 -4.529 -2.293 604 1HB GLU 73 2HB GLU 73 -8.879 -5.887 -0.422 605 2HB GLU 73 3HB GLU 73 -9.303 -6.892 -1.801 606 1HG GLU 73 2HG GLU 73 -6.972 -7.139 -2.385 607 2HG GLU 73 3HG GLU 73 -6.506 -6.050 -1.080 608 H LYS 74 H LYS 74 -6.227 -4.596 -2.859 609 HA LYS 74 HA LYS 74 -5.391 -2.990 -0.725 610 1HB LYS 74 2HB LYS 74 -4.115 -4.293 -2.718 611 2HB LYS 74 3HB LYS 74 -3.992 -2.642 -3.312 612 1HG LYS 74 2HG LYS 74 -3.031 -3.656 -0.645 613 2HG LYS 74 3HG LYS 74 -2.029 -3.226 -2.033 614 1HD LYS 74 2HD LYS 74 -3.863 -1.307 -0.602 615 2HD LYS 74 3HD LYS 74 -2.138 -1.467 -0.267 616 1HE LYS 74 2HE LYS 74 -2.111 -1.156 -2.958 617 2HE LYS 74 3HE LYS 74 -3.524 -0.192 -2.529 618 1HZ LYS 74 1HZ LYS 74 -2.212 1.132 -1.073 619 2HZ LYS 74 2HZ LYS 74 -1.399 1.060 -2.555 620 3HZ LYS 74 3HZ LYS 74 -0.865 0.124 -1.251 621 H PHE 75 H PHE 75 -6.143 -2.048 -4.081 622 HA PHE 75 HA PHE 75 -5.920 0.742 -3.547 623 1HB PHE 75 2HB PHE 75 -6.157 0.996 -5.783 624 2HB PHE 75 3HB PHE 75 -5.934 -0.750 -5.820 625 HD1 PHE 75 HD1 PHE 75 -7.757 -2.228 -6.308 626 HD2 PHE 75 HD2 PHE 75 -8.371 1.976 -6.052 627 HE1 PHE 75 HE1 PHE 75 -9.965 -2.490 -7.363 628 HE2 PHE 75 HE2 PHE 75 -10.580 1.721 -7.105 629 HZ PHE 75 HZ PHE 75 -11.380 -0.514 -7.761 630 H ASP 76 H ASP 76 -8.556 -1.567 -3.567 631 HA ASP 76 HA ASP 76 -10.708 0.235 -3.546 632 1HB ASP 76 2HB ASP 76 -11.152 -2.075 -3.968 633 2HB ASP 76 3HB ASP 76 -10.422 -2.560 -2.440 634 H GLU 77 H GLU 77 -8.980 -1.316 -0.849 635 HA GLU 77 HA GLU 77 -10.462 0.019 1.174 636 1HB GLU 77 2HB GLU 77 -7.828 -1.447 1.194 637 2HB GLU 77 3HB GLU 77 -8.513 -0.721 2.641 638 1HG GLU 77 2HG GLU 77 -10.392 -2.162 2.584 639 2HG GLU 77 3HG GLU 77 -9.984 -2.736 0.968 640 H ASN 78 H ASN 78 -7.215 0.547 -0.179 641 HA ASN 78 HA ASN 78 -6.415 2.686 1.369 642 1HB ASN 78 2HB ASN 78 -5.762 1.698 -1.344 643 2HB ASN 78 3HB ASN 78 -5.333 3.374 -1.015 644 1HD2 ASN 78 1HD2 ASN 78 -3.255 3.464 -0.581 645 2HD2 ASN 78 2HD2 ASN 78 -2.389 2.401 0.470 646 H SER 79 H SER 79 -8.531 2.663 -1.448 647 HA SER 79 HA SER 79 -8.721 5.515 -1.623 648 1HB SER 79 2HB SER 79 -9.909 3.190 -3.012 649 2HB SER 79 3HB SER 79 -10.904 4.645 -2.979 650 HG SER 79 HG SER 79 -8.521 4.152 -4.291 651 H ARG 80 H ARG 80 -10.775 2.940 -0.316 652 HA ARG 80 HA ARG 80 -12.865 4.691 0.510 653 1HB ARG 80 2HB ARG 80 -13.941 2.812 1.257 654 2HB ARG 80 3HB ARG 80 -12.812 2.072 0.131 655 1HG ARG 80 2HG ARG 80 -12.419 0.719 1.888 656 2HG ARG 80 3HG ARG 80 -11.311 2.016 2.344 657 1HD ARG 80 2HD ARG 80 -12.557 2.623 4.111 658 2HD ARG 80 3HD ARG 80 -14.073 2.413 3.236 659 HE ARG 80 HE ARG 80 -12.796 0.513 4.959 660 1HH1 ARG 80 2HH1 ARG 80 -14.924 0.889 2.229 661 2HH1 ARG 80 1HH1 ARG 80 -15.725 -0.627 2.479 662 1HH2 ARG 80 2HH2 ARG 80 -13.843 -1.485 5.298 663 2HH2 ARG 80 1HH2 ARG 80 -15.110 -1.976 4.226 664 H MET 81 H MET 81 -9.772 4.211 1.673 665 HA MET 81 HA MET 81 -9.808 4.104 4.371 666 1HB MET 81 2HB MET 81 -8.162 5.729 2.476 667 2HB MET 81 3HB MET 81 -7.962 5.974 4.206 668 1HG MET 81 2HG MET 81 -7.705 3.313 2.829 669 2HG MET 81 3HG MET 81 -6.353 4.376 3.209 670 1HE MET 81 1HE MET 81 -8.489 1.347 5.488 671 2HE MET 81 2HE MET 81 -8.030 1.566 3.799 672 3HE MET 81 3HE MET 81 -6.835 1.015 4.974 673 H GLN 82 H GLN 82 -9.991 5.584 6.099 674 HA GLN 82 HA GLN 82 -12.197 7.261 6.049 675 1HB GLN 82 2HB GLN 82 -9.836 7.111 7.909 676 2HB GLN 82 3HB GLN 82 -11.147 8.252 8.173 677 1HG GLN 82 2HG GLN 82 -12.734 6.376 8.250 678 2HG GLN 82 3HG GLN 82 -11.387 5.255 8.058 679 1HE2 GLN 82 1HE2 GLN 82 -12.164 4.363 10.078 680 2HE2 GLN 82 2HE2 GLN 82 -11.674 5.087 11.568 681 H TYR 83 H TYR 83 -12.215 9.631 6.525 682 HA TYR 83 HA TYR 83 -10.960 11.046 4.431 683 1HB TYR 83 2HB TYR 83 -13.056 11.525 6.180 684 2HB TYR 83 3HB TYR 83 -11.856 12.727 6.642 685 HD1 TYR 83 HD1 TYR 83 -10.622 13.257 3.972 686 HD2 TYR 83 HD2 TYR 83 -14.696 12.829 5.125 687 HE1 TYR 83 HE1 TYR 83 -11.301 14.667 2.075 688 HE2 TYR 83 HE2 TYR 83 -15.386 14.237 3.230 689 HH TYR 83 HH TYR 83 -12.993 15.582 0.973 690 H SER 84 H SER 84 -10.182 10.623 7.828 691 HA SER 84 HA SER 84 -8.271 12.644 8.109 692 1HB SER 84 2HB SER 84 -8.657 11.781 10.172 693 2HB SER 84 3HB SER 84 -8.979 10.165 9.545 694 HG SER 84 HG SER 84 -6.916 10.729 10.839 695 H GLU 85 H GLU 85 -7.805 9.208 7.289 696 HA GLU 85 HA GLU 85 -5.019 9.427 6.852 697 1HB GLU 85 2HB GLU 85 -6.624 7.333 7.170 698 2HB GLU 85 3HB GLU 85 -6.609 7.358 5.412 699 1HG GLU 85 2HG GLU 85 -4.852 5.976 5.769 700 2HG GLU 85 3HG GLU 85 -4.000 7.518 5.795 701 H LEU 86 H LEU 86 -7.819 9.709 4.733 702 HA LEU 86 HA LEU 86 -6.495 9.713 2.270 703 1HB LEU 86 2HB LEU 86 -9.082 9.903 3.077 704 2HB LEU 86 3HB LEU 86 -8.781 11.543 2.506 705 HG LEU 86 HG LEU 86 -9.800 10.140 0.779 706 1HD1 LEU 86 1HD1 LEU 86 -7.352 10.340 -0.615 707 2HD1 LEU 86 2HD1 LEU 86 -7.409 11.670 0.543 708 3HD1 LEU 86 3HD1 LEU 86 -8.713 11.462 -0.626 709 1HD2 LEU 86 1HD2 LEU 86 -9.045 8.112 0.149 710 2HD2 LEU 86 2HD2 LEU 86 -8.331 8.106 1.762 711 3HD2 LEU 86 3HD2 LEU 86 -7.351 8.554 0.365 712 H MET 87 H MET 87 -7.268 12.382 4.473 713 HA MET 87 HA MET 87 -5.963 14.317 2.764 714 1HB MET 87 2HB MET 87 -7.774 14.383 5.007 715 2HB MET 87 3HB MET 87 -6.413 15.459 5.293 716 1HG MET 87 2HG MET 87 -8.277 16.616 4.235 717 2HG MET 87 3HG MET 87 -6.844 16.609 3.209 718 1HE MET 87 1HE MET 87 -8.203 15.729 -0.006 719 2HE MET 87 2HE MET 87 -7.149 16.684 1.037 720 3HE MET 87 3HE MET 87 -6.801 14.978 0.756 721 H THR 88 H THR 88 -5.215 12.412 5.581 722 HA THR 88 HA THR 88 -2.955 13.884 6.454 723 HB THR 88 HB THR 88 -4.027 11.154 6.992 724 HG1 THR 88 HG1 THR 88 -4.061 11.975 9.073 725 1HG2 THR 88 1HG2 THR 88 -1.807 10.472 6.830 726 2HG2 THR 88 2HG2 THR 88 -1.961 10.892 8.536 727 3HG2 THR 88 3HG2 THR 88 -1.187 12.014 7.418 728 H LYS 89 H LYS 89 -3.274 10.963 4.448 729 HA LYS 89 HA LYS 89 -0.499 10.679 3.956 730 1HB LYS 89 2HB LYS 89 -2.798 9.200 3.424 731 2HB LYS 89 3HB LYS 89 -2.188 9.633 1.833 732 1HG LYS 89 2HG LYS 89 -1.192 7.581 2.310 733 2HG LYS 89 3HG LYS 89 0.068 8.770 2.648 734 1HD LYS 89 2HD LYS 89 -1.708 8.011 4.895 735 2HD LYS 89 3HD LYS 89 -0.553 6.797 4.340 736 1HE LYS 89 2HE LYS 89 0.936 9.125 4.451 737 2HE LYS 89 3HE LYS 89 -0.113 9.232 5.864 738 1HZ LYS 89 1HZ LYS 89 1.698 8.073 6.654 739 2HZ LYS 89 2HZ LYS 89 1.924 7.205 5.221 740 3HZ LYS 89 3HZ LYS 89 0.642 6.814 6.253 741 H TYR 90 H TYR 90 -2.738 12.925 2.838 742 HA TYR 90 HA TYR 90 -1.302 13.406 0.332 743 1HB TYR 90 2HB TYR 90 -3.621 13.449 -0.048 744 2HB TYR 90 3HB TYR 90 -3.939 14.354 1.428 745 HD1 TYR 90 HD1 TYR 90 -4.068 16.699 1.392 746 HD2 TYR 90 HD2 TYR 90 -2.446 14.641 -1.960 747 HE1 TYR 90 HE1 TYR 90 -4.068 18.798 0.111 748 HE2 TYR 90 HE2 TYR 90 -2.440 16.735 -3.250 749 HH TYR 90 HH TYR 90 -2.347 19.346 -2.520 750 H HIS 91 H HIS 91 -2.230 15.047 3.333 751 HA HIS 91 HA HIS 91 -0.541 17.327 2.660 752 1HB HIS 91 2HB HIS 91 -2.907 17.015 4.149 753 2HB HIS 91 3HB HIS 91 -1.659 17.434 5.319 754 HD1 HIS 91 HD1 HIS 91 -4.064 18.994 3.259 755 HD2 HIS 91 HD2 HIS 91 -0.114 19.837 4.230 756 HE1 HIS 91 HE1 HIS 91 -3.752 21.435 2.743 757 H ASP 92 H ASP 92 -0.936 15.180 5.485 758 HA ASP 92 HA ASP 92 1.400 15.882 6.805 759 1HB ASP 92 2HB ASP 92 -0.635 13.972 7.137 760 2HB ASP 92 3HB ASP 92 0.872 13.061 7.125 761 H LEU 93 H LEU 93 0.945 13.866 4.021 762 HA LEU 93 HA LEU 93 3.686 12.861 4.168 763 1HB LEU 93 2HB LEU 93 1.273 11.811 3.199 764 2HB LEU 93 3HB LEU 93 2.274 12.107 1.779 765 HG LEU 93 HG LEU 93 2.856 10.299 4.114 766 1HD1 LEU 93 1HD1 LEU 93 3.188 9.353 1.371 767 2HD1 LEU 93 2HD1 LEU 93 1.537 9.827 1.769 768 3HD1 LEU 93 3HD1 LEU 93 2.363 8.608 2.740 769 1HD2 LEU 93 1HD2 LEU 93 4.698 11.669 2.286 770 2HD2 LEU 93 2HD2 LEU 93 4.925 9.923 2.395 771 3HD2 LEU 93 3HD2 LEU 93 4.999 10.915 3.852 772 H LYS 94 H LYS 94 1.817 15.293 2.646 773 HA LYS 94 HA LYS 94 3.113 15.683 0.229 774 1HB LYS 94 2HB LYS 94 1.627 17.345 0.160 775 2HB LYS 94 3HB LYS 94 1.302 17.134 1.876 776 1HG LYS 94 2HG LYS 94 3.763 18.580 1.448 777 2HG LYS 94 3HG LYS 94 2.402 19.362 0.640 778 1HD LYS 94 2HD LYS 94 2.015 20.288 2.649 779 2HD LYS 94 3HD LYS 94 1.315 18.720 3.056 780 1HE LYS 94 2HE LYS 94 3.280 18.011 4.143 781 2HE LYS 94 3HE LYS 94 4.236 19.314 3.438 782 1HZ LYS 94 1HZ LYS 94 2.292 20.625 4.800 783 2HZ LYS 94 2HZ LYS 94 3.868 20.361 5.353 784 3HZ LYS 94 3HZ LYS 94 2.624 19.311 5.812 785 H LYS 95 H LYS 95 4.195 16.358 3.461 786 HA LYS 95 HA LYS 95 6.358 18.079 2.664 787 1HB LYS 95 2HB LYS 95 5.058 17.560 5.046 788 2HB LYS 95 3HB LYS 95 6.621 16.788 5.274 789 1HG LYS 95 2HG LYS 95 6.187 19.662 4.483 790 2HG LYS 95 3HG LYS 95 6.607 19.086 6.098 791 1HD LYS 95 2HD LYS 95 8.763 19.108 5.560 792 2HD LYS 95 3HD LYS 95 8.458 17.985 4.233 793 1HE LYS 95 2HE LYS 95 8.330 19.654 2.669 794 2HE LYS 95 3HE LYS 95 7.786 20.856 3.839 795 1HZ LYS 95 1HZ LYS 95 10.521 19.934 3.268 796 2HZ LYS 95 2HZ LYS 95 10.153 20.564 4.794 797 3HZ LYS 95 3HZ LYS 95 9.933 21.514 3.411 798 H GLN 96 H GLN 96 6.091 14.726 3.822 799 HA GLN 96 HA GLN 96 8.839 14.128 3.645 800 1HB GLN 96 2HB GLN 96 6.346 12.461 3.730 801 2HB GLN 96 3HB GLN 96 7.912 11.705 3.470 802 1HG GLN 96 2HG GLN 96 8.482 13.212 5.616 803 2HG GLN 96 3HG GLN 96 6.768 12.916 5.897 804 1HE2 GLN 96 1HE2 GLN 96 9.805 11.777 6.447 805 2HE2 GLN 96 2HE2 GLN 96 9.435 10.126 6.795 806 H GLY 97 H GLY 97 6.324 14.283 1.269 807 1HA GLY 97 2HA GLY 97 8.274 13.412 -0.766 808 2HA GLY 97 3HA GLY 97 6.616 12.832 -0.806 809 H LYS 98 H LYS 98 6.189 13.712 -2.827 810 HA LYS 98 HA LYS 98 5.540 16.542 -2.780 811 1HB LYS 98 2HB LYS 98 6.673 16.971 -4.942 812 2HB LYS 98 3HB LYS 98 7.800 16.606 -3.642 813 1HG LYS 98 2HG LYS 98 8.696 15.298 -5.256 814 2HG LYS 98 3HG LYS 98 7.523 14.149 -4.607 815 1HD LYS 98 2HD LYS 98 5.992 14.590 -6.370 816 2HD LYS 98 3HD LYS 98 6.918 15.990 -6.914 817 1HE LYS 98 2HE LYS 98 8.209 13.298 -6.860 818 2HE LYS 98 3HE LYS 98 7.103 13.703 -8.172 819 1HZ LYS 98 1HZ LYS 98 8.484 15.714 -8.559 820 2HZ LYS 98 2HZ LYS 98 9.296 14.260 -8.854 821 3HZ LYS 98 3HZ LYS 98 9.600 15.124 -7.432 822 H ILE 99 H ILE 99 4.124 17.178 -4.528 823 HA ILE 99 HA ILE 99 2.955 15.002 -6.090 824 HB ILE 99 HB ILE 99 1.562 15.009 -4.128 825 1HG1 ILE 99 2HG1 ILE 99 0.170 16.505 -6.360 826 2HG1 ILE 99 3HG1 ILE 99 0.461 14.769 -6.336 827 1HG2 ILE 99 1HG2 ILE 99 1.049 17.940 -4.593 828 2HG2 ILE 99 2HG2 ILE 99 0.473 16.948 -3.255 829 3HG2 ILE 99 3HG2 ILE 99 2.191 17.315 -3.404 830 1HD1 ILE 99 1HD1 ILE 99 -1.344 14.409 -5.104 831 2HD1 ILE 99 2HD1 ILE 99 -0.889 15.654 -3.942 832 3HD1 ILE 99 3HD1 ILE 99 -1.777 16.092 -5.400 833 H LYS 100 H LYS 100 2.033 15.640 -8.010 834 HA LYS 100 HA LYS 100 2.128 18.521 -8.620 835 1HB LYS 100 2HB LYS 100 2.772 16.327 -10.591 836 2HB LYS 100 3HB LYS 100 2.984 18.060 -10.808 837 1HG LYS 100 2HG LYS 100 4.488 16.395 -8.801 838 2HG LYS 100 3HG LYS 100 5.095 16.847 -10.395 839 1HD LYS 100 2HD LYS 100 4.179 18.881 -8.377 840 2HD LYS 100 3HD LYS 100 5.840 18.287 -8.437 841 1HE LYS 100 2HE LYS 100 4.545 19.326 -10.921 842 2HE LYS 100 3HE LYS 100 5.166 20.460 -9.723 843 1HZ LYS 100 1HZ LYS 100 7.336 19.469 -9.919 844 2HZ LYS 100 2HZ LYS 100 6.795 19.927 -11.455 845 3HZ LYS 100 3HZ LYS 100 6.757 18.299 -10.996 846 H ASP 101 H ASP 101 0.455 19.362 -9.783 847 HA ASP 101 HA ASP 101 -1.803 17.547 -10.282 848 1HB ASP 101 2HB ASP 101 -2.274 19.354 -8.705 849 2HB ASP 101 3HB ASP 101 -1.763 20.548 -9.895 850 H ARG 102 H ARG 102 -1.189 16.820 -12.327 851 HA ARG 102 HA ARG 102 -0.535 18.640 -14.441 852 1HB ARG 102 2HB ARG 102 -0.952 15.696 -14.201 853 2HB ARG 102 3HB ARG 102 -1.053 16.421 -15.800 854 1HG ARG 102 2HG ARG 102 1.173 15.626 -15.459 855 2HG ARG 102 3HG ARG 102 1.203 17.391 -15.444 856 1HD ARG 102 2HD ARG 102 0.900 15.919 -12.869 857 2HD ARG 102 3HD ARG 102 2.490 16.002 -13.625 858 HE ARG 102 HE ARG 102 1.168 18.085 -12.228 859 1HH1 ARG 102 2HH1 ARG 102 3.249 17.479 -14.953 860 2HH1 ARG 102 1HH1 ARG 102 3.981 19.049 -14.908 861 1HH2 ARG 102 2HH2 ARG 102 2.125 20.154 -12.159 862 2HH2 ARG 102 1HH2 ARG 102 3.342 20.569 -13.318 863 HA PRO 103 HA PRO 103 -4.493 19.623 -16.057 864 1HB PRO 103 2HB PRO 103 -4.072 19.518 -18.737 865 2HB PRO 103 3HB PRO 103 -3.419 20.802 -17.712 866 1HG PRO 103 2HG PRO 103 -2.068 18.347 -18.765 867 2HG PRO 103 3HG PRO 103 -1.454 20.007 -18.668 868 1HD PRO 103 2HD PRO 103 -0.777 18.097 -16.872 869 2HD PRO 103 3HD PRO 103 -0.916 19.812 -16.435 870 H VAL 104 H VAL 104 -6.381 18.635 -16.542 871 HA VAL 104 HA VAL 104 -6.441 15.799 -16.814 872 HB VAL 104 HB VAL 104 -8.187 17.098 -15.612 873 1HG1 VAL 104 1HG1 VAL 104 -9.612 17.731 -18.113 874 2HG1 VAL 104 2HG1 VAL 104 -9.538 18.619 -16.590 875 3HG1 VAL 104 3HG1 VAL 104 -8.213 18.740 -17.747 876 1HG2 VAL 104 1HG2 VAL 104 -9.193 15.400 -17.894 877 2HG2 VAL 104 2HG2 VAL 104 -8.615 14.807 -16.337 878 3HG2 VAL 104 3HG2 VAL 104 -10.085 15.779 -16.420 879 H LYS 105 H LYS 105 -6.766 14.540 -18.567 880 HA LYS 105 HA LYS 105 -6.538 15.799 -21.173 881 1HB LYS 105 2HB LYS 105 -5.569 13.441 -20.085 882 2HB LYS 105 3HB LYS 105 -6.852 12.899 -21.159 883 1HG LYS 105 2HG LYS 105 -4.473 14.587 -21.900 884 2HG LYS 105 3HG LYS 105 -4.764 12.903 -22.343 885 1HD LYS 105 2HD LYS 105 -6.972 13.882 -23.370 886 2HD LYS 105 3HD LYS 105 -6.057 15.392 -23.366 887 1HE LYS 105 2HE LYS 105 -5.546 14.555 -25.449 888 2HE LYS 105 3HE LYS 105 -4.204 13.937 -24.488 889 1HZ LYS 105 1HZ LYS 105 -6.516 12.207 -24.580 890 2HZ LYS 105 2HZ LYS 105 -4.876 11.834 -24.761 891 3HZ LYS 105 3HZ LYS 105 -5.757 12.433 -26.075 892 H GLU 106 H GLU 106 -8.077 15.835 -22.736 893 HA GLU 106 HA GLU 106 -10.796 15.399 -21.933 894 1HB GLU 106 2HB GLU 106 -9.580 16.239 -24.568 895 2HB GLU 106 3HB GLU 106 -11.311 16.142 -24.273 896 1HG GLU 106 2HG GLU 106 -10.977 18.350 -23.871 897 2HG GLU 106 3HG GLU 106 -10.712 17.714 -22.249 898 H VAL 107 H VAL 107 -12.179 13.801 -22.518 899 HA VAL 107 HA VAL 107 -11.017 11.539 -24.001 900 HB VAL 107 HB VAL 107 -12.982 11.688 -21.756 901 1HG1 VAL 107 1HG1 VAL 107 -14.318 10.464 -23.233 902 2HG1 VAL 107 2HG1 VAL 107 -12.935 9.607 -23.917 903 3HG1 VAL 107 3HG1 VAL 107 -13.487 9.232 -22.284 904 1HG2 VAL 107 1HG2 VAL 107 -10.337 10.687 -22.205 905 2HG2 VAL 107 2HG2 VAL 107 -11.237 10.813 -20.693 906 3HG2 VAL 107 3HG2 VAL 107 -11.391 9.369 -21.693 907 H HIS 108 H HIS 108 -12.072 10.656 -25.725 908 HA HIS 108 HA HIS 108 -14.589 11.944 -26.553 909 1HB HIS 108 2HB HIS 108 -13.768 11.597 -28.926 910 2HB HIS 108 3HB HIS 108 -12.925 12.835 -28.000 911 HD1 HIS 108 HD1 HIS 108 -10.489 12.261 -27.211 912 HD2 HIS 108 HD2 HIS 108 -12.211 9.467 -29.758 913 HE1 HIS 108 HE1 HIS 108 -8.590 10.817 -28.006 914 H GLU 109 H GLU 109 -15.565 10.570 -28.466 915 HA GLU 109 HA GLU 109 -16.082 7.969 -27.349 916 1HB GLU 109 2HB GLU 109 -17.087 8.965 -30.005 917 2HB GLU 109 3HB GLU 109 -17.832 7.794 -28.927 918 1HG GLU 109 2HG GLU 109 -19.130 9.504 -28.321 919 2HG GLU 109 3HG GLU 109 -17.750 9.982 -27.334 920 H GLU 110 H GLU 110 -15.013 6.172 -27.809 921 HA GLU 110 HA GLU 110 -14.341 5.243 -30.328 922 1HB GLU 110 2HB GLU 110 -12.587 7.287 -29.557 923 2HB GLU 110 3HB GLU 110 -11.695 5.795 -29.297 924 1HG GLU 110 2HG GLU 110 -11.569 5.319 -31.500 925 2HG GLU 110 3HG GLU 110 -13.142 6.030 -31.858 926 H TYR 111 H TYR 111 -12.061 3.774 -29.907 927 HA TYR 111 HA TYR 111 -12.720 2.207 -27.500 928 1HB TYR 111 2HB TYR 111 -11.913 1.245 -30.247 929 2HB TYR 111 3HB TYR 111 -11.929 0.208 -28.825 930 HD1 TYR 111 HD1 TYR 111 -14.162 2.498 -30.752 931 HD2 TYR 111 HD2 TYR 111 -13.852 -0.984 -28.326 932 HE1 TYR 111 HE1 TYR 111 -16.547 2.031 -31.127 933 HE2 TYR 111 HE2 TYR 111 -16.236 -1.461 -28.696 934 HH TYR 111 HH TYR 111 -18.045 -0.051 -31.085 935 H ASP 112 H ASP 112 -11.140 3.015 -26.173 936 HA ASP 112 HA ASP 112 -8.428 2.139 -26.773 937 1HB ASP 112 2HB ASP 112 -8.549 4.483 -27.573 938 2HB ASP 112 3HB ASP 112 -9.030 4.989 -25.955 939 H LEU 113 H LEU 113 -10.023 4.222 -24.355 940 HA LEU 113 HA LEU 113 -8.591 3.285 -22.159 941 1HB LEU 113 2HB LEU 113 -11.274 4.586 -22.446 942 2HB LEU 113 3HB LEU 113 -10.676 4.085 -20.866 943 HG LEU 113 HG LEU 113 -8.825 5.611 -21.022 944 1HD1 LEU 113 1HD1 LEU 113 -9.842 6.204 -23.796 945 2HD1 LEU 113 2HD1 LEU 113 -8.311 5.443 -23.367 946 3HD1 LEU 113 3HD1 LEU 113 -8.600 7.133 -22.957 947 1HD2 LEU 113 1HD2 LEU 113 -11.041 6.458 -20.270 948 2HD2 LEU 113 2HD2 LEU 113 -11.325 7.043 -21.910 949 3HD2 LEU 113 3HD2 LEU 113 -9.996 7.703 -20.956 950 H TRP 114 H TRP 114 -10.084 2.368 -20.193 951 HA TRP 114 HA TRP 114 -10.419 -0.371 -20.785 952 1HB TRP 114 2HB TRP 114 -11.086 1.334 -18.399 953 2HB TRP 114 3HB TRP 114 -11.540 -0.367 -18.451 954 HD1 TRP 114 HD1 TRP 114 -9.022 1.537 -16.907 955 HE1 TRP 114 HE1 TRP 114 -6.794 0.273 -16.654 956 HE3 TRP 114 HE3 TRP 114 -9.834 -2.221 -20.277 957 HZ2 TRP 114 HZ2 TRP 114 -5.546 -2.014 -17.740 958 HZ3 TRP 114 HZ3 TRP 114 -8.073 -3.906 -20.611 959 HH2 TRP 114 HH2 TRP 114 -5.974 -3.803 -19.369 960 H GLU 115 H GLU 115 -12.706 2.291 -20.417 961 HA GLU 115 HA GLU 115 -15.005 2.339 -20.587 962 1HB GLU 115 2HB GLU 115 -15.743 1.507 -22.850 963 2HB GLU 115 3HB GLU 115 -14.404 2.645 -22.867 964 1HG GLU 115 2HG GLU 115 -12.830 0.820 -23.168 965 2HG GLU 115 3HG GLU 115 -14.151 -0.345 -23.099 966 H ASP 116 H ASP 116 -15.109 0.801 -18.703 967 HA ASP 116 HA ASP 116 -17.100 -1.111 -19.120 968 1HB ASP 116 2HB ASP 116 -15.798 -2.752 -20.020 969 2HB ASP 116 3HB ASP 116 -14.319 -2.117 -19.305 970 HA PRO 117 HA PRO 117 -15.464 -1.569 -14.606 971 1HB PRO 117 2HB PRO 117 -13.114 -0.358 -13.989 972 2HB PRO 117 3HB PRO 117 -13.210 -2.014 -14.600 973 1HG PRO 117 2HG PRO 117 -12.574 0.515 -16.071 974 2HG PRO 117 3HG PRO 117 -11.798 -1.075 -16.192 975 1HD PRO 117 2HD PRO 117 -13.616 -0.200 -17.998 976 2HD PRO 117 3HD PRO 117 -13.446 -1.915 -17.568 977 H ILE 118 H ILE 118 -14.050 1.503 -15.762 978 HA ILE 118 HA ILE 118 -15.373 2.964 -13.644 979 HB ILE 118 HB ILE 118 -14.331 4.951 -15.025 980 1HG1 ILE 118 2HG1 ILE 118 -12.334 4.298 -16.262 981 2HG1 ILE 118 3HG1 ILE 118 -12.654 2.600 -15.929 982 1HG2 ILE 118 1HG2 ILE 118 -12.746 2.972 -13.397 983 2HG2 ILE 118 2HG2 ILE 118 -12.193 4.594 -13.810 984 3HG2 ILE 118 3HG2 ILE 118 -13.626 4.381 -12.804 985 1HD1 ILE 118 1HD1 ILE 118 -13.300 3.721 -18.223 986 2HD1 ILE 118 2HD1 ILE 118 -14.299 2.465 -17.490 987 3HD1 ILE 118 3HD1 ILE 118 -14.752 4.161 -17.324 988 H TRP 119 H TRP 119 -16.185 1.948 -16.737 989 HA TRP 119 HA TRP 119 -17.610 4.130 -17.768 990 1HB TRP 119 2HB TRP 119 -17.038 2.092 -19.061 991 2HB TRP 119 3HB TRP 119 -18.225 1.189 -18.125 992 HD1 TRP 119 HD1 TRP 119 -18.648 4.664 -19.798 993 HE1 TRP 119 HE1 TRP 119 -20.668 4.534 -21.388 994 HE3 TRP 119 HE3 TRP 119 -19.783 -0.293 -19.267 995 HZ2 TRP 119 HZ2 TRP 119 -22.501 2.589 -22.296 996 HZ3 TRP 119 HZ3 TRP 119 -21.685 -1.209 -20.530 997 HH2 TRP 119 HH2 TRP 119 -23.015 0.204 -22.013 998 H GLN 120 H GLN 120 -18.373 1.877 -15.248 999 HA GLN 120 HA GLN 120 -21.117 2.930 -15.109 1000 1HB GLN 120 2HB GLN 120 -20.977 0.494 -15.318 1001 2HB GLN 120 3HB GLN 120 -19.952 0.420 -13.891 1002 1HG GLN 120 2HG GLN 120 -21.805 1.340 -12.551 1003 2HG GLN 120 3HG GLN 120 -22.827 1.303 -13.988 1004 1HE2 GLN 120 1HE2 GLN 120 -22.320 -0.241 -11.235 1005 2HE2 GLN 120 2HE2 GLN 120 -22.708 -1.863 -11.687 1006 H TYR 121 H TYR 121 -18.837 1.589 -12.723 1007 HA TYR 121 HA TYR 121 -19.051 4.062 -11.172 1008 1HB TYR 121 2HB TYR 121 -19.625 2.936 -9.142 1009 2HB TYR 121 3HB TYR 121 -20.775 2.411 -10.366 1010 HD1 TYR 121 HD1 TYR 121 -18.802 1.307 -7.742 1011 HD2 TYR 121 HD2 TYR 121 -19.914 0.224 -11.703 1012 HE1 TYR 121 HE1 TYR 121 -18.243 -1.037 -7.251 1013 HE2 TYR 121 HE2 TYR 121 -19.359 -2.124 -11.223 1014 HH TYR 121 HH TYR 121 -18.736 -3.253 -8.045 1015 H ILE 122 H ILE 122 -17.621 3.576 -9.018 1016 HA ILE 122 HA ILE 122 -14.975 3.604 -9.837 1017 HB ILE 122 HB ILE 122 -14.395 3.169 -7.445 1018 1HG1 ILE 122 2HG1 ILE 122 -17.395 3.043 -7.073 1019 2HG1 ILE 122 3HG1 ILE 122 -16.320 1.651 -6.991 1020 1HG2 ILE 122 1HG2 ILE 122 -14.945 5.299 -6.805 1021 2HG2 ILE 122 2HG2 ILE 122 -15.222 5.408 -8.542 1022 3HG2 ILE 122 3HG2 ILE 122 -16.585 5.186 -7.445 1023 1HD1 ILE 122 1HD1 ILE 122 -16.769 3.823 -5.046 1024 2HD1 ILE 122 2HD1 ILE 122 -16.438 2.110 -4.787 1025 3HD1 ILE 122 3HD1 ILE 122 -15.122 3.211 -5.194 Start of MODEL 8 1 H MET 1 H MET 1 6.946 -1.404 -6.542 2 HA MET 1 HA MET 1 8.609 -2.728 -8.545 3 1HB MET 1 2HB MET 1 7.018 -3.787 -6.207 4 2HB MET 1 3HB MET 1 7.868 -4.819 -7.349 5 1HG MET 1 2HG MET 1 9.419 -4.670 -5.689 6 2HG MET 1 3HG MET 1 9.915 -3.323 -6.710 7 1HE MET 1 1HE MET 1 10.543 -4.026 -3.675 8 2HE MET 1 2HE MET 1 9.832 -2.926 -2.493 9 3HE MET 1 3HE MET 1 8.917 -4.324 -3.059 10 H GLN 2 H GLN 2 7.750 -4.300 -9.989 11 HA GLN 2 HA GLN 2 5.498 -3.527 -11.400 12 1HB GLN 2 2HB GLN 2 5.620 -5.748 -12.491 13 2HB GLN 2 3HB GLN 2 7.183 -4.948 -12.395 14 1HG GLN 2 2HG GLN 2 7.803 -6.333 -10.503 15 2HG GLN 2 3HG GLN 2 6.219 -7.106 -10.532 16 1HE2 GLN 2 1HE2 GLN 2 5.768 -7.662 -13.089 17 2HE2 GLN 2 2HE2 GLN 2 6.975 -8.719 -13.728 18 H LYS 3 H LYS 3 3.503 -4.821 -11.784 19 HA LYS 3 HA LYS 3 2.505 -6.036 -9.293 20 1HB LYS 3 2HB LYS 3 0.757 -4.428 -11.139 21 2HB LYS 3 3HB LYS 3 0.442 -4.911 -9.477 22 1HG LYS 3 2HG LYS 3 2.535 -2.923 -10.334 23 2HG LYS 3 3HG LYS 3 0.940 -2.517 -9.696 24 1HD LYS 3 2HD LYS 3 1.756 -4.132 -7.740 25 2HD LYS 3 3HD LYS 3 3.336 -3.584 -8.306 26 1HE LYS 3 2HE LYS 3 2.551 -2.145 -6.525 27 2HE LYS 3 3HE LYS 3 2.595 -1.251 -8.044 28 1HZ LYS 3 1HZ LYS 3 0.447 -1.531 -6.330 29 2HZ LYS 3 2HZ LYS 3 0.064 -2.467 -7.686 30 3HZ LYS 3 3HZ LYS 3 0.442 -0.828 -7.869 31 H GLY 4 H GLY 4 1.301 -5.563 -12.621 32 1HA GLY 4 2HA GLY 4 1.263 -7.429 -14.185 33 2HA GLY 4 3HA GLY 4 1.003 -8.494 -12.811 34 H LEU 5 H LEU 5 -0.705 -5.513 -12.810 35 HA LEU 5 HA LEU 5 -3.042 -6.552 -14.152 36 1HB LEU 5 2HB LEU 5 -4.505 -6.585 -12.301 37 2HB LEU 5 3HB LEU 5 -3.091 -7.531 -11.842 38 HG LEU 5 HG LEU 5 -3.658 -6.291 -9.933 39 1HD1 LEU 5 1HD1 LEU 5 -1.742 -4.985 -9.520 40 2HD1 LEU 5 2HD1 LEU 5 -1.563 -4.566 -11.224 41 3HD1 LEU 5 3HD1 LEU 5 -1.241 -6.213 -10.683 42 1HD2 LEU 5 1HD2 LEU 5 -3.548 -3.600 -11.074 43 2HD2 LEU 5 2HD2 LEU 5 -4.679 -4.298 -9.914 44 3HD2 LEU 5 3HD2 LEU 5 -4.908 -4.569 -11.642 45 H GLU 6 H GLU 6 -4.810 -4.957 -14.218 46 HA GLU 6 HA GLU 6 -3.801 -2.208 -13.883 47 1HB GLU 6 2HB GLU 6 -5.385 -1.696 -15.845 48 2HB GLU 6 3HB GLU 6 -3.862 -2.498 -16.202 49 1HG GLU 6 2HG GLU 6 -5.416 -3.653 -17.478 50 2HG GLU 6 3HG GLU 6 -5.185 -4.679 -16.063 51 H ILE 7 H ILE 7 -5.129 -0.727 -12.953 52 HA ILE 7 HA ILE 7 -7.842 -1.613 -12.224 53 HB ILE 7 HB ILE 7 -7.486 -0.185 -10.117 54 1HG1 ILE 7 2HG1 ILE 7 -5.178 0.562 -11.194 55 2HG1 ILE 7 3HG1 ILE 7 -5.370 0.412 -9.450 56 1HG2 ILE 7 1HG2 ILE 7 -7.779 -2.465 -9.780 57 2HG2 ILE 7 2HG2 ILE 7 -6.285 -2.881 -10.617 58 3HG2 ILE 7 3HG2 ILE 7 -6.223 -2.145 -9.016 59 1HD1 ILE 7 1HD1 ILE 7 -3.279 -0.578 -10.394 60 2HD1 ILE 7 2HD1 ILE 7 -4.259 -1.681 -9.428 61 3HD1 ILE 7 3HD1 ILE 7 -4.289 -1.786 -11.189 62 H ALA 8 H ALA 8 -9.443 -0.044 -12.168 63 HA ALA 8 HA ALA 8 -8.678 2.627 -13.149 64 1HB ALA 8 1HB ALA 8 -11.320 1.714 -14.004 65 2HB ALA 8 2HB ALA 8 -10.043 2.518 -14.919 66 3HB ALA 8 3HB ALA 8 -9.986 0.773 -14.672 67 H PHE 9 H PHE 9 -9.859 4.363 -12.375 68 HA PHE 9 HA PHE 9 -11.937 3.790 -10.381 69 1HB PHE 9 2HB PHE 9 -9.889 4.143 -9.120 70 2HB PHE 9 3HB PHE 9 -9.576 5.640 -9.992 71 HD1 PHE 9 HD1 PHE 9 -12.160 4.047 -7.833 72 HD2 PHE 9 HD2 PHE 9 -10.230 7.639 -9.055 73 HE1 PHE 9 HE1 PHE 9 -13.412 5.297 -6.123 74 HE2 PHE 9 HE2 PHE 9 -11.478 8.894 -7.346 75 HZ PHE 9 HZ PHE 9 -13.071 7.723 -5.877 76 H GLN 10 H GLN 10 -13.631 5.177 -10.377 77 HA GLN 10 HA GLN 10 -13.573 7.316 -12.388 78 1HB GLN 10 2HB GLN 10 -16.079 7.190 -12.210 79 2HB GLN 10 3HB GLN 10 -15.306 5.742 -12.841 80 1HG GLN 10 2HG GLN 10 -15.918 4.479 -11.082 81 2HG GLN 10 3HG GLN 10 -15.738 5.801 -9.930 82 1HE2 GLN 10 1HE2 GLN 10 -17.586 6.174 -8.953 83 2HE2 GLN 10 2HE2 GLN 10 -19.147 6.196 -9.693 84 H THR 11 H THR 11 -14.770 9.302 -11.904 85 HA THR 11 HA THR 11 -15.314 9.948 -9.149 86 HB THR 11 HB THR 11 -13.044 10.380 -8.873 87 HG1 THR 11 HG1 THR 11 -13.701 12.920 -9.888 88 1HG2 THR 11 1HG2 THR 11 -12.056 11.985 -10.861 89 2HG2 THR 11 2HG2 THR 11 -13.115 10.894 -11.755 90 3HG2 THR 11 3HG2 THR 11 -11.819 10.242 -10.753 91 H ILE 12 H ILE 12 -16.282 12.044 -8.889 92 HA ILE 12 HA ILE 12 -17.093 13.348 -11.396 93 HB ILE 12 HB ILE 12 -19.088 13.125 -9.189 94 1HG1 ILE 12 2HG1 ILE 12 -19.898 11.077 -10.713 95 2HG1 ILE 12 3HG1 ILE 12 -18.162 10.912 -10.949 96 1HG2 ILE 12 1HG2 ILE 12 -20.591 13.044 -11.263 97 2HG2 ILE 12 2HG2 ILE 12 -19.763 14.558 -10.905 98 3HG2 ILE 12 3HG2 ILE 12 -19.143 13.491 -12.165 99 1HD1 ILE 12 1HD1 ILE 12 -18.795 11.288 -8.165 100 2HD1 ILE 12 2HD1 ILE 12 -19.673 9.918 -8.847 101 3HD1 ILE 12 3HD1 ILE 12 -17.914 9.981 -8.957 102 H ASN 13 H ASN 13 -17.456 13.669 -7.857 103 HA ASN 13 HA ASN 13 -16.004 16.090 -7.716 104 1HB ASN 13 2HB ASN 13 -17.877 17.109 -8.826 105 2HB ASN 13 3HB ASN 13 -19.018 16.319 -7.741 106 1HD2 ASN 13 1HD2 ASN 13 -16.443 18.705 -7.908 107 2HD2 ASN 13 2HD2 ASN 13 -16.967 19.636 -6.550 108 H GLY 14 H GLY 14 -15.873 16.931 -5.564 109 1HA GLY 14 2HA GLY 14 -16.263 16.893 -3.249 110 2HA GLY 14 3HA GLY 14 -17.279 15.476 -3.465 111 H LEU 15 H LEU 15 -16.465 13.805 -2.402 112 HA LEU 15 HA LEU 15 -13.767 13.607 -1.591 113 1HB LEU 15 2HB LEU 15 -15.827 12.533 -0.546 114 2HB LEU 15 3HB LEU 15 -15.685 11.303 -1.800 115 HG LEU 15 HG LEU 15 -13.355 11.875 -0.016 116 1HD1 LEU 15 1HD1 LEU 15 -15.742 11.346 1.130 117 2HD1 LEU 15 2HD1 LEU 15 -14.190 10.831 1.790 118 3HD1 LEU 15 3HD1 LEU 15 -15.155 9.711 0.829 119 1HD2 LEU 15 1HD2 LEU 15 -13.868 10.122 -2.119 120 2HD2 LEU 15 2HD2 LEU 15 -13.951 9.127 -0.664 121 3HD2 LEU 15 3HD2 LEU 15 -12.503 10.075 -1.004 122 H ASP 16 H ASP 16 -15.412 12.683 -4.473 123 HA ASP 16 HA ASP 16 -13.672 10.635 -5.352 124 1HB ASP 16 2HB ASP 16 -15.118 12.483 -7.231 125 2HB ASP 16 3HB ASP 16 -14.783 10.763 -7.413 126 H GLU 17 H GLU 17 -13.904 13.997 -6.531 127 HA GLU 17 HA GLU 17 -11.611 14.041 -8.054 128 1HB GLU 17 2HB GLU 17 -11.576 16.524 -7.575 129 2HB GLU 17 3HB GLU 17 -13.095 15.888 -8.193 130 1HG GLU 17 2HG GLU 17 -13.940 15.805 -5.858 131 2HG GLU 17 3HG GLU 17 -12.457 16.605 -5.343 132 H SER 18 H SER 18 -11.930 14.862 -4.610 133 HA SER 18 HA SER 18 -9.264 15.556 -4.146 134 1HB SER 18 2HB SER 18 -11.540 14.663 -2.441 135 2HB SER 18 3HB SER 18 -9.925 14.626 -1.733 136 HG SER 18 HG SER 18 -10.784 16.921 -3.103 137 H LEU 19 H LEU 19 -10.890 12.416 -3.908 138 HA LEU 19 HA LEU 19 -8.703 10.956 -2.922 139 1HB LEU 19 2HB LEU 19 -11.087 10.209 -2.986 140 2HB LEU 19 3HB LEU 19 -10.896 9.931 -4.716 141 HG LEU 19 HG LEU 19 -10.744 7.910 -3.167 142 1HD1 LEU 19 1HD1 LEU 19 -8.252 7.773 -4.616 143 2HD1 LEU 19 2HD1 LEU 19 -9.518 8.530 -5.582 144 3HD1 LEU 19 3HD1 LEU 19 -9.771 6.923 -4.901 145 1HD2 LEU 19 1HD2 LEU 19 -9.008 9.400 -1.749 146 2HD2 LEU 19 2HD2 LEU 19 -7.883 8.507 -2.774 147 3HD2 LEU 19 3HD2 LEU 19 -9.018 7.636 -1.740 148 H VAL 20 H VAL 20 -9.621 11.901 -6.169 149 HA VAL 20 HA VAL 20 -7.834 10.187 -7.553 150 HB VAL 20 HB VAL 20 -9.013 12.824 -8.438 151 1HG1 VAL 20 1HG1 VAL 20 -7.647 10.628 -9.985 152 2HG1 VAL 20 2HG1 VAL 20 -8.580 11.930 -10.726 153 3HG1 VAL 20 3HG1 VAL 20 -7.120 12.302 -9.809 154 1HG2 VAL 20 1HG2 VAL 20 -10.150 10.513 -9.687 155 2HG2 VAL 20 2HG2 VAL 20 -10.254 10.349 -7.934 156 3HG2 VAL 20 3HG2 VAL 20 -10.943 11.764 -8.730 157 H GLN 21 H GLN 21 -7.638 13.670 -6.806 158 HA GLN 21 HA GLN 21 -4.996 13.985 -7.748 159 1HB GLN 21 2HB GLN 21 -5.034 16.137 -6.599 160 2HB GLN 21 3HB GLN 21 -6.542 15.870 -7.464 161 1HG GLN 21 2HG GLN 21 -7.650 15.259 -5.397 162 2HG GLN 21 3HG GLN 21 -6.137 15.447 -4.512 163 1HE2 GLN 21 1HE2 GLN 21 -8.016 17.339 -6.860 164 2HE2 GLN 21 2HE2 GLN 21 -7.948 18.821 -5.976 165 H ALA 22 H ALA 22 -6.302 12.829 -4.758 166 HA ALA 22 HA ALA 22 -3.875 13.174 -3.247 167 1HB ALA 22 1HB ALA 22 -6.488 11.804 -2.702 168 2HB ALA 22 2HB ALA 22 -5.119 11.665 -1.600 169 3HB ALA 22 3HB ALA 22 -5.816 13.248 -1.944 170 H LEU 23 H LEU 23 -5.641 10.365 -4.550 171 HA LEU 23 HA LEU 23 -3.750 8.428 -3.831 172 1HB LEU 23 2HB LEU 23 -4.987 6.943 -5.069 173 2HB LEU 23 3HB LEU 23 -6.174 8.203 -4.735 174 HG LEU 23 HG LEU 23 -5.367 9.101 -7.085 175 1HD1 LEU 23 1HD1 LEU 23 -3.892 7.753 -8.065 176 2HD1 LEU 23 2HD1 LEU 23 -5.230 6.628 -8.297 177 3HD1 LEU 23 3HD1 LEU 23 -4.172 6.462 -6.896 178 1HD2 LEU 23 1HD2 LEU 23 -7.255 6.787 -6.670 179 2HD2 LEU 23 2HD2 LEU 23 -7.192 7.792 -8.118 180 3HD2 LEU 23 3HD2 LEU 23 -7.647 8.503 -6.568 181 H ALA 24 H ALA 24 -3.959 10.553 -6.610 182 HA ALA 24 HA ALA 24 -2.100 9.307 -8.287 183 1HB ALA 24 1HB ALA 24 -3.344 10.986 -9.296 184 2HB ALA 24 2HB ALA 24 -3.031 12.137 -7.997 185 3HB ALA 24 3HB ALA 24 -1.749 11.721 -9.134 186 H GLY 25 H GLY 25 -1.585 11.970 -5.964 187 1HA GLY 25 2HA GLY 25 1.219 12.074 -6.307 188 2HA GLY 25 3HA GLY 25 0.326 12.735 -4.946 189 H VAL 26 H VAL 26 -0.808 10.370 -3.953 190 HA VAL 26 HA VAL 26 1.286 9.412 -2.335 191 HB VAL 26 HB VAL 26 -1.403 8.122 -2.821 192 1HG1 VAL 26 1HG1 VAL 26 0.798 7.645 -0.880 193 2HG1 VAL 26 2HG1 VAL 26 -0.865 7.469 -0.318 194 3HG1 VAL 26 3HG1 VAL 26 -0.282 6.497 -1.670 195 1HG2 VAL 26 1HG2 VAL 26 -1.179 9.567 -0.350 196 2HG2 VAL 26 2HG2 VAL 26 -0.818 10.632 -1.709 197 3HG2 VAL 26 3HG2 VAL 26 -2.350 9.761 -1.654 198 H THR 27 H THR 27 -0.344 8.014 -5.151 199 HA THR 27 HA THR 27 0.962 5.517 -5.096 200 HB THR 27 HB THR 27 0.352 5.423 -7.554 201 HG1 THR 27 HG1 THR 27 -0.763 7.117 -8.417 202 1HG2 THR 27 1HG2 THR 27 -2.189 5.645 -6.994 203 2HG2 THR 27 2HG2 THR 27 -1.611 5.907 -5.349 204 3HG2 THR 27 3HG2 THR 27 -1.221 4.408 -6.193 205 H ALA 28 H ALA 28 1.610 8.404 -7.089 206 HA ALA 28 HA ALA 28 3.900 7.443 -8.363 207 1HB ALA 28 1HB ALA 28 4.266 9.622 -9.103 208 2HB ALA 28 2HB ALA 28 2.522 9.554 -8.849 209 3HB ALA 28 3HB ALA 28 3.557 10.335 -7.654 210 H SER 29 H SER 29 3.497 9.029 -5.246 211 HA SER 29 HA SER 29 6.299 9.343 -4.761 212 1HB SER 29 2HB SER 29 4.873 10.851 -3.608 213 2HB SER 29 3HB SER 29 3.858 9.544 -2.998 214 HG SER 29 HG SER 29 6.591 9.689 -2.325 215 H ASP 30 H ASP 30 3.871 6.930 -3.967 216 HA ASP 30 HA ASP 30 5.609 5.429 -2.239 217 1HB ASP 30 2HB ASP 30 2.849 5.087 -3.321 218 2HB ASP 30 3HB ASP 30 3.689 3.660 -2.721 219 H PHE 31 H PHE 31 5.166 5.682 -5.602 220 HA PHE 31 HA PHE 31 6.546 3.116 -6.035 221 1HB PHE 31 2HB PHE 31 4.702 4.688 -7.837 222 2HB PHE 31 3HB PHE 31 5.683 3.342 -8.407 223 HD1 PHE 31 HD1 PHE 31 5.472 1.247 -6.604 224 HD2 PHE 31 HD2 PHE 31 2.503 4.146 -7.551 225 HE1 PHE 31 HE1 PHE 31 3.716 -0.329 -5.906 226 HE2 PHE 31 HE2 PHE 31 0.742 2.575 -6.853 227 HZ PHE 31 HZ PHE 31 1.348 0.335 -6.029 228 HA PRO 32 HA PRO 32 9.572 6.500 -7.021 229 1HB PRO 32 2HB PRO 32 11.663 5.318 -5.756 230 2HB PRO 32 3HB PRO 32 10.511 6.373 -4.928 231 1HG PRO 32 2HG PRO 32 10.617 3.383 -5.014 232 2HG PRO 32 3HG PRO 32 10.303 4.452 -3.634 233 1HD PRO 32 2HD PRO 32 8.323 3.178 -4.971 234 2HD PRO 32 3HD PRO 32 8.098 4.773 -4.225 235 H ASP 33 H ASP 33 9.377 3.087 -7.480 236 HA ASP 33 HA ASP 33 11.712 2.746 -9.064 237 1HB ASP 33 2HB ASP 33 9.299 1.142 -8.423 238 2HB ASP 33 3HB ASP 33 10.148 0.727 -9.910 239 H LEU 34 H LEU 34 8.835 4.358 -9.653 240 HA LEU 34 HA LEU 34 7.960 5.361 -11.497 241 1HB LEU 34 2HB LEU 34 10.351 4.448 -13.059 242 2HB LEU 34 3HB LEU 34 9.359 5.884 -13.305 243 HG LEU 34 HG LEU 34 11.376 5.422 -11.112 244 1HD1 LEU 34 1HD1 LEU 34 11.328 6.967 -13.649 245 2HD1 LEU 34 2HD1 LEU 34 12.645 6.073 -12.892 246 3HD1 LEU 34 3HD1 LEU 34 12.178 7.653 -12.264 247 1HD2 LEU 34 1HD2 LEU 34 10.827 7.826 -10.547 248 2HD2 LEU 34 2HD2 LEU 34 9.618 6.625 -10.094 249 3HD2 LEU 34 3HD2 LEU 34 9.373 7.627 -11.525 250 H ASP 35 H ASP 35 7.613 2.463 -10.922 251 HA ASP 35 HA ASP 35 7.134 1.384 -13.601 252 1HB ASP 35 2HB ASP 35 7.082 -0.739 -12.653 253 2HB ASP 35 3HB ASP 35 8.256 0.091 -11.635 254 H ILE 36 H ILE 36 5.534 3.512 -12.090 255 HA ILE 36 HA ILE 36 2.916 2.169 -12.156 256 HB ILE 36 HB ILE 36 3.196 3.146 -10.025 257 1HG1 ILE 36 2HG1 ILE 36 1.153 3.901 -11.683 258 2HG1 ILE 36 3HG1 ILE 36 1.209 4.215 -9.952 259 1HG2 ILE 36 1HG2 ILE 36 4.188 5.589 -11.477 260 2HG2 ILE 36 2HG2 ILE 36 3.797 5.563 -9.759 261 3HG2 ILE 36 3HG2 ILE 36 5.092 4.543 -10.383 262 1HD1 ILE 36 1HD1 ILE 36 2.013 6.426 -10.310 263 2HD1 ILE 36 2HD1 ILE 36 2.241 6.123 -12.032 264 3HD1 ILE 36 3HD1 ILE 36 0.614 6.180 -11.355 265 H LYS 37 H LYS 37 1.630 2.581 -13.819 266 HA LYS 37 HA LYS 37 2.074 5.054 -15.361 267 1HB LYS 37 2HB LYS 37 1.860 2.283 -16.180 268 2HB LYS 37 3HB LYS 37 0.647 3.273 -16.980 269 1HG LYS 37 2HG LYS 37 2.310 3.580 -18.466 270 2HG LYS 37 3HG LYS 37 2.788 4.842 -17.329 271 1HD LYS 37 2HD LYS 37 3.809 2.122 -16.783 272 2HD LYS 37 3HD LYS 37 4.461 2.933 -18.209 273 1HE LYS 37 2HE LYS 37 5.493 4.559 -16.980 274 2HE LYS 37 3HE LYS 37 4.305 4.483 -15.680 275 1HZ LYS 37 1HZ LYS 37 6.186 3.554 -14.744 276 2HZ LYS 37 2HZ LYS 37 6.633 2.739 -16.157 277 3HZ LYS 37 3HZ LYS 37 5.325 2.184 -15.240 278 H TYR 38 H TYR 38 0.584 6.392 -14.440 279 HA TYR 38 HA TYR 38 -2.227 5.519 -14.592 280 1HB TYR 38 2HB TYR 38 -2.743 6.586 -12.593 281 2HB TYR 38 3HB TYR 38 -1.141 5.938 -12.258 282 HD1 TYR 38 HD1 TYR 38 0.829 7.632 -12.976 283 HD2 TYR 38 HD2 TYR 38 -3.141 8.754 -11.933 284 HE1 TYR 38 HE1 TYR 38 1.624 9.887 -12.398 285 HE2 TYR 38 HE2 TYR 38 -2.357 11.012 -11.353 286 HH TYR 38 HH TYR 38 1.080 11.880 -11.586 287 H ASN 39 H ASN 39 -3.787 7.268 -14.941 288 HA ASN 39 HA ASN 39 -2.859 9.800 -15.925 289 1HB ASN 39 2HB ASN 39 -3.634 7.613 -17.808 290 2HB ASN 39 3HB ASN 39 -4.106 9.264 -18.200 291 1HD2 ASN 39 1HD2 ASN 39 -1.854 7.034 -18.791 292 2HD2 ASN 39 2HD2 ASN 39 -0.488 8.041 -19.115 293 H ILE 40 H ILE 40 -4.465 11.318 -15.957 294 HA ILE 40 HA ILE 40 -7.165 10.366 -15.255 295 HB ILE 40 HB ILE 40 -6.821 13.112 -14.546 296 1HG1 ILE 40 2HG1 ILE 40 -4.712 11.234 -13.463 297 2HG1 ILE 40 3HG1 ILE 40 -4.435 12.686 -14.418 298 1HG2 ILE 40 1HG2 ILE 40 -7.478 12.314 -12.349 299 2HG2 ILE 40 2HG2 ILE 40 -8.447 11.535 -13.599 300 3HG2 ILE 40 3HG2 ILE 40 -7.129 10.653 -12.827 301 1HD1 ILE 40 1HD1 ILE 40 -5.500 12.529 -11.612 302 2HD1 ILE 40 2HD1 ILE 40 -3.944 13.173 -12.140 303 3HD1 ILE 40 3HD1 ILE 40 -5.436 14.009 -12.568 304 H PHE 41 H PHE 41 -8.676 10.747 -16.723 305 HA PHE 41 HA PHE 41 -8.395 13.101 -18.467 306 1HB PHE 41 2HB PHE 41 -9.639 11.548 -20.181 307 2HB PHE 41 3HB PHE 41 -7.891 11.444 -20.000 308 HD1 PHE 41 HD1 PHE 41 -11.084 9.866 -19.000 309 HD2 PHE 41 HD2 PHE 41 -6.861 9.448 -19.331 310 HE1 PHE 41 HE1 PHE 41 -11.285 7.466 -18.496 311 HE2 PHE 41 HE2 PHE 41 -7.056 7.048 -18.828 312 HZ PHE 41 HZ PHE 41 -9.270 6.053 -18.410 313 H LEU 42 H LEU 42 -10.294 14.147 -19.056 314 HA LEU 42 HA LEU 42 -12.620 13.456 -17.403 315 1HB LEU 42 2HB LEU 42 -11.385 15.774 -17.440 316 2HB LEU 42 3HB LEU 42 -12.375 16.038 -18.874 317 HG LEU 42 HG LEU 42 -13.393 15.464 -16.091 318 1HD1 LEU 42 1HD1 LEU 42 -13.331 17.975 -17.754 319 2HD1 LEU 42 2HD1 LEU 42 -12.523 17.689 -16.213 320 3HD1 LEU 42 3HD1 LEU 42 -14.283 17.781 -16.282 321 1HD2 LEU 42 1HD2 LEU 42 -14.823 15.925 -18.702 322 2HD2 LEU 42 2HD2 LEU 42 -15.602 16.041 -17.124 323 3HD2 LEU 42 3HD2 LEU 42 -14.913 14.507 -17.657 324 H VAL 43 H VAL 43 -14.280 12.503 -18.358 325 HA VAL 43 HA VAL 43 -14.594 12.774 -21.268 326 HB VAL 43 HB VAL 43 -15.470 10.671 -21.368 327 1HG1 VAL 43 1HG1 VAL 43 -14.009 9.275 -20.319 328 2HG1 VAL 43 2HG1 VAL 43 -13.201 10.810 -19.994 329 3HG1 VAL 43 3HG1 VAL 43 -14.208 10.062 -18.754 330 1HG2 VAL 43 1HG2 VAL 43 -16.496 11.124 -18.576 331 2HG2 VAL 43 2HG2 VAL 43 -17.426 10.978 -20.067 332 3HG2 VAL 43 3HG2 VAL 43 -16.606 9.567 -19.398 333 H ASP 44 H ASP 44 -16.375 13.661 -22.145 334 HA ASP 44 HA ASP 44 -18.667 14.236 -20.402 335 1HB ASP 44 2HB ASP 44 -18.780 16.469 -21.766 336 2HB ASP 44 3HB ASP 44 -17.711 16.346 -20.371 337 H LEU 45 H LEU 45 -20.170 12.952 -21.295 338 HA LEU 45 HA LEU 45 -20.976 13.502 -24.031 339 1HB LEU 45 2HB LEU 45 -19.462 11.202 -23.354 340 2HB LEU 45 3HB LEU 45 -21.106 10.676 -23.711 341 HG LEU 45 HG LEU 45 -19.835 10.499 -25.715 342 1HD1 LEU 45 1HD1 LEU 45 -21.105 11.835 -27.206 343 2HD1 LEU 45 2HD1 LEU 45 -21.393 13.060 -25.971 344 3HD1 LEU 45 3HD1 LEU 45 -22.149 11.473 -25.831 345 1HD2 LEU 45 1HD2 LEU 45 -18.268 11.954 -26.444 346 2HD2 LEU 45 2HD2 LEU 45 -18.235 12.423 -24.745 347 3HD2 LEU 45 3HD2 LEU 45 -19.170 13.370 -25.904 348 H TYR 46 H TYR 46 -23.106 12.656 -24.537 349 HA TYR 46 HA TYR 46 -25.300 12.258 -24.082 350 1HB TYR 46 2HB TYR 46 -24.497 11.075 -21.434 351 2HB TYR 46 3HB TYR 46 -25.868 10.653 -22.454 352 HD1 TYR 46 HD1 TYR 46 -24.495 10.376 -25.084 353 HD2 TYR 46 HD2 TYR 46 -23.366 9.036 -21.207 354 HE1 TYR 46 HE1 TYR 46 -23.184 8.559 -26.100 355 HE2 TYR 46 HE2 TYR 46 -22.051 7.217 -22.212 356 HH TYR 46 HH TYR 46 -22.399 6.101 -25.145 357 H GLY 47 H GLY 47 -24.021 14.730 -23.265 358 1HA GLY 47 2HA GLY 47 -24.625 16.663 -22.181 359 2HA GLY 47 3HA GLY 47 -26.149 15.874 -21.801 360 H GLN 48 H GLN 48 -23.406 14.164 -20.747 361 HA GLN 48 HA GLN 48 -23.595 15.351 -18.064 362 1HB GLN 48 2HB GLN 48 -23.482 12.387 -18.648 363 2HB GLN 48 3HB GLN 48 -23.545 13.133 -17.056 364 1HG GLN 48 2HG GLN 48 -25.716 13.628 -19.049 365 2HG GLN 48 3HG GLN 48 -25.697 12.151 -18.086 366 1HE2 GLN 48 1HE2 GLN 48 -27.829 13.443 -17.620 367 2HE2 GLN 48 2HE2 GLN 48 -27.779 14.398 -16.181 368 H LYS 49 H LYS 49 -21.701 15.653 -17.036 369 HA LYS 49 HA LYS 49 -19.271 14.772 -18.434 370 1HB LYS 49 2HB LYS 49 -19.599 16.972 -16.387 371 2HB LYS 49 3HB LYS 49 -18.128 16.594 -17.274 372 1HG LYS 49 2HG LYS 49 -18.837 18.261 -18.603 373 2HG LYS 49 3HG LYS 49 -19.811 16.981 -19.330 374 1HD LYS 49 2HD LYS 49 -21.650 18.116 -18.811 375 2HD LYS 49 3HD LYS 49 -21.247 17.958 -17.100 376 1HE LYS 49 2HE LYS 49 -19.892 19.993 -17.237 377 2HE LYS 49 3HE LYS 49 -20.297 20.148 -18.945 378 1HZ LYS 49 1HZ LYS 49 -22.559 19.920 -17.148 379 2HZ LYS 49 2HZ LYS 49 -22.330 20.941 -18.477 380 3HZ LYS 49 3HZ LYS 49 -21.651 21.338 -16.979 381 H TYR 50 H TYR 50 -17.753 13.546 -17.442 382 HA TYR 50 HA TYR 50 -17.903 13.083 -14.571 383 1HB TYR 50 2HB TYR 50 -18.278 10.914 -16.636 384 2HB TYR 50 3HB TYR 50 -17.797 10.578 -14.977 385 HD1 TYR 50 HD1 TYR 50 -19.359 11.339 -13.107 386 HD2 TYR 50 HD2 TYR 50 -20.538 11.185 -17.193 387 HE1 TYR 50 HE1 TYR 50 -21.720 11.333 -12.419 388 HE2 TYR 50 HE2 TYR 50 -22.902 11.180 -16.516 389 HH TYR 50 HH TYR 50 -24.122 10.359 -14.100 390 H PHE 51 H PHE 51 -15.999 12.205 -13.678 391 HA PHE 51 HA PHE 51 -13.658 12.507 -15.422 392 1HB PHE 51 2HB PHE 51 -13.918 12.598 -12.411 393 2HB PHE 51 3HB PHE 51 -12.388 12.708 -13.275 394 HD1 PHE 51 HD1 PHE 51 -15.746 14.327 -13.191 395 HD2 PHE 51 HD2 PHE 51 -11.554 14.793 -13.760 396 HE1 PHE 51 HE1 PHE 51 -16.049 16.759 -13.404 397 HE2 PHE 51 HE2 PHE 51 -11.850 17.226 -13.972 398 HZ PHE 51 HZ PHE 51 -14.099 18.212 -13.794 399 H ARG 52 H ARG 52 -12.354 10.840 -15.879 400 HA ARG 52 HA ARG 52 -12.676 8.353 -14.339 401 1HB ARG 52 2HB ARG 52 -12.821 8.785 -17.290 402 2HB ARG 52 3HB ARG 52 -12.110 7.291 -16.695 403 1HG ARG 52 2HG ARG 52 -14.250 6.590 -16.857 404 2HG ARG 52 3HG ARG 52 -14.341 7.288 -15.239 405 1HD ARG 52 2HD ARG 52 -15.123 9.413 -16.266 406 2HD ARG 52 3HD ARG 52 -15.156 8.599 -17.829 407 HE ARG 52 HE ARG 52 -17.106 7.569 -17.214 408 1HH1 ARG 52 2HH1 ARG 52 -15.585 8.920 -14.390 409 2HH1 ARG 52 1HH1 ARG 52 -16.936 8.608 -13.352 410 1HH2 ARG 52 2HH2 ARG 52 -18.892 7.152 -15.858 411 2HH2 ARG 52 1HH2 ARG 52 -18.817 7.600 -14.188 412 H ILE 53 H ILE 53 -10.833 7.283 -13.830 413 HA ILE 53 HA ILE 53 -8.311 8.358 -14.913 414 HB ILE 53 HB ILE 53 -7.297 8.393 -12.856 415 1HG1 ILE 53 2HG1 ILE 53 -8.561 7.133 -10.873 416 2HG1 ILE 53 3HG1 ILE 53 -9.183 6.177 -12.213 417 1HG2 ILE 53 1HG2 ILE 53 -8.568 9.765 -11.543 418 2HG2 ILE 53 2HG2 ILE 53 -9.520 9.801 -13.026 419 3HG2 ILE 53 3HG2 ILE 53 -10.008 8.758 -11.691 420 1HD1 ILE 53 1HD1 ILE 53 -7.310 5.012 -12.275 421 2HD1 ILE 53 2HD1 ILE 53 -6.369 6.483 -12.522 422 3HD1 ILE 53 3HD1 ILE 53 -6.719 5.924 -10.886 423 H LEU 54 H LEU 54 -6.815 6.920 -15.597 424 HA LEU 54 HA LEU 54 -7.452 4.063 -15.264 425 1HB LEU 54 2HB LEU 54 -7.503 5.294 -17.596 426 2HB LEU 54 3HB LEU 54 -5.762 5.035 -17.513 427 HG LEU 54 HG LEU 54 -7.954 2.988 -17.675 428 1HD1 LEU 54 1HD1 LEU 54 -5.946 2.295 -19.387 429 2HD1 LEU 54 2HD1 LEU 54 -5.879 4.056 -19.435 430 3HD1 LEU 54 3HD1 LEU 54 -7.383 3.221 -19.824 431 1HD2 LEU 54 1HD2 LEU 54 -5.148 2.678 -16.672 432 2HD2 LEU 54 2HD2 LEU 54 -5.967 1.353 -17.498 433 3HD2 LEU 54 3HD2 LEU 54 -6.646 2.021 -16.013 434 H PHE 55 H PHE 55 -6.040 2.944 -14.108 435 HA PHE 55 HA PHE 55 -3.235 3.839 -14.054 436 1HB PHE 55 2HB PHE 55 -4.044 4.436 -11.920 437 2HB PHE 55 3HB PHE 55 -4.997 2.962 -11.776 438 HD1 PHE 55 HD1 PHE 55 -4.165 2.153 -9.729 439 HD2 PHE 55 HD2 PHE 55 -1.475 3.158 -12.871 440 HE1 PHE 55 HE1 PHE 55 -2.326 1.086 -8.491 441 HE2 PHE 55 HE2 PHE 55 0.368 2.092 -11.638 442 HZ PHE 55 HZ PHE 55 -0.056 1.054 -9.446 443 H GLN 56 H GLN 56 -1.896 2.358 -14.825 444 HA GLN 56 HA GLN 56 -2.536 -0.483 -14.422 445 1HB GLN 56 2HB GLN 56 -1.302 0.546 -16.969 446 2HB GLN 56 3HB GLN 56 -1.982 -1.045 -16.655 447 1HG GLN 56 2HG GLN 56 -3.880 -0.352 -17.543 448 2HG GLN 56 3HG GLN 56 -4.059 0.768 -16.193 449 1HE2 GLN 56 1HE2 GLN 56 -3.804 0.485 -19.500 450 2HE2 GLN 56 2HE2 GLN 56 -3.460 2.134 -19.886 451 H SER 57 H SER 57 -0.735 -1.895 -14.331 452 HA SER 57 HA SER 57 1.558 -0.745 -13.087 453 1HB SER 57 2HB SER 57 0.590 -3.001 -12.531 454 2HB SER 57 3HB SER 57 1.236 -3.591 -14.063 455 HG SER 57 HG SER 57 3.191 -3.584 -13.251 456 H LYS 58 H LYS 58 3.784 -1.827 -13.860 457 HA LYS 58 HA LYS 58 4.377 -0.559 -16.352 458 1HB LYS 58 2HB LYS 58 5.871 -0.925 -14.222 459 2HB LYS 58 3HB LYS 58 6.274 -2.446 -15.008 460 1HG LYS 58 2HG LYS 58 6.489 0.090 -16.557 461 2HG LYS 58 3HG LYS 58 7.741 -0.320 -15.383 462 1HD LYS 58 2HD LYS 58 6.866 -2.374 -17.365 463 2HD LYS 58 3HD LYS 58 7.954 -1.084 -17.881 464 1HE LYS 58 2HE LYS 58 9.492 -1.697 -16.048 465 2HE LYS 58 3HE LYS 58 8.419 -3.029 -15.623 466 1HZ LYS 58 1HZ LYS 58 9.249 -2.943 -18.397 467 2HZ LYS 58 2HZ LYS 58 9.127 -4.260 -17.344 468 3HZ LYS 58 3HZ LYS 58 10.488 -3.258 -17.289 469 H LYS 59 H LYS 59 4.516 -3.947 -15.252 470 HA LYS 59 HA LYS 59 4.741 -4.833 -18.025 471 1HB LYS 59 2HB LYS 59 4.832 -6.423 -15.454 472 2HB LYS 59 3HB LYS 59 5.149 -7.058 -17.063 473 1HG LYS 59 2HG LYS 59 6.778 -4.739 -16.284 474 2HG LYS 59 3HG LYS 59 7.058 -6.215 -15.357 475 1HD LYS 59 2HD LYS 59 8.562 -6.240 -17.205 476 2HD LYS 59 3HD LYS 59 7.299 -7.427 -17.542 477 1HE LYS 59 2HE LYS 59 6.275 -6.054 -19.135 478 2HE LYS 59 3HE LYS 59 7.101 -4.609 -18.552 479 1HZ LYS 59 1HZ LYS 59 8.600 -6.863 -19.735 480 2HZ LYS 59 2HZ LYS 59 9.088 -5.255 -19.547 481 3HZ LYS 59 3HZ LYS 59 7.922 -5.655 -20.706 482 H LEU 60 H LEU 60 2.485 -4.785 -15.365 483 HA LEU 60 HA LEU 60 0.405 -5.764 -15.108 484 1HB LEU 60 2HB LEU 60 -1.101 -4.996 -17.026 485 2HB LEU 60 3HB LEU 60 -0.264 -3.765 -16.084 486 HG LEU 60 HG LEU 60 1.503 -3.934 -18.021 487 1HD1 LEU 60 1HD1 LEU 60 -1.015 -4.998 -19.283 488 2HD1 LEU 60 2HD1 LEU 60 0.570 -5.767 -19.226 489 3HD1 LEU 60 3HD1 LEU 60 0.331 -4.313 -20.194 490 1HD2 LEU 60 1HD2 LEU 60 -0.846 -2.524 -19.030 491 2HD2 LEU 60 2HD2 LEU 60 0.743 -1.906 -18.578 492 3HD2 LEU 60 3HD2 LEU 60 -0.484 -2.177 -17.339 493 H SER 61 H SER 61 2.090 -7.765 -15.906 494 HA SER 61 HA SER 61 0.918 -9.133 -18.181 495 1HB SER 61 2HB SER 61 3.382 -9.192 -17.697 496 2HB SER 61 3HB SER 61 3.024 -10.152 -16.262 497 HG SER 61 HG SER 61 3.297 -10.980 -18.774 498 H GLU 62 H GLU 62 0.005 -11.257 -18.047 499 HA GLU 62 HA GLU 62 -2.021 -11.558 -16.200 500 1HB GLU 62 2HB GLU 62 -0.593 -13.661 -17.830 501 2HB GLU 62 3HB GLU 62 -2.071 -13.964 -16.927 502 1HG GLU 62 2HG GLU 62 -3.179 -12.187 -18.264 503 2HG GLU 62 3HG GLU 62 -1.714 -12.071 -19.237 504 H LEU 63 H LEU 63 1.318 -12.532 -15.978 505 HA LEU 63 HA LEU 63 1.247 -14.433 -13.980 506 1HB LEU 63 2HB LEU 63 3.283 -12.224 -14.197 507 2HB LEU 63 3HB LEU 63 3.506 -13.803 -13.446 508 HG LEU 63 HG LEU 63 3.137 -13.263 -16.392 509 1HD1 LEU 63 1HD1 LEU 63 5.337 -13.030 -16.484 510 2HD1 LEU 63 2HD1 LEU 63 5.549 -14.613 -15.737 511 3HD1 LEU 63 3HD1 LEU 63 5.427 -13.172 -14.728 512 1HD2 LEU 63 1HD2 LEU 63 2.157 -15.352 -16.042 513 2HD2 LEU 63 2HD2 LEU 63 3.328 -15.799 -14.800 514 3HD2 LEU 63 3HD2 LEU 63 3.819 -15.732 -16.494 515 H HIS 64 H HIS 64 1.894 -14.165 -11.672 516 HA HIS 64 HA HIS 64 1.493 -13.394 -9.569 517 1HB HIS 64 2HB HIS 64 1.186 -10.656 -10.805 518 2HB HIS 64 3HB HIS 64 1.633 -11.040 -9.145 519 HD1 HIS 64 HD1 HIS 64 3.031 -10.648 -12.552 520 HD2 HIS 64 HD2 HIS 64 4.311 -11.935 -8.816 521 HE1 HIS 64 HE1 HIS 64 5.540 -10.734 -12.695 522 HA PRO 65 HA PRO 65 -3.055 -13.332 -10.629 523 1HB PRO 65 2HB PRO 65 -3.637 -15.675 -9.388 524 2HB PRO 65 3HB PRO 65 -3.104 -15.586 -11.071 525 1HG PRO 65 2HG PRO 65 -1.521 -16.236 -8.615 526 2HG PRO 65 3HG PRO 65 -1.484 -17.013 -10.208 527 1HD PRO 65 2HD PRO 65 0.380 -15.213 -9.421 528 2HD PRO 65 3HD PRO 65 -0.132 -15.380 -11.113 529 H GLU 66 H GLU 66 -1.444 -14.389 -7.636 530 HA GLU 66 HA GLU 66 -3.576 -13.688 -5.911 531 1HB GLU 66 2HB GLU 66 -0.941 -14.790 -5.668 532 2HB GLU 66 3HB GLU 66 -1.135 -13.502 -4.487 533 1HG GLU 66 2HG GLU 66 -1.740 -15.709 -3.602 534 2HG GLU 66 3HG GLU 66 -3.083 -14.568 -3.567 535 H GLU 67 H GLU 67 -0.963 -11.889 -7.329 536 HA GLU 67 HA GLU 67 -0.973 -9.689 -5.548 537 1HB GLU 67 2HB GLU 67 -0.035 -10.055 -8.382 538 2HB GLU 67 3HB GLU 67 0.046 -8.488 -7.589 539 1HG GLU 67 2HG GLU 67 1.282 -9.821 -5.718 540 2HG GLU 67 3HG GLU 67 1.564 -10.984 -7.012 541 H ARG 68 H ARG 68 -2.882 -10.517 -8.360 542 HA ARG 68 HA ARG 68 -3.989 -8.040 -8.972 543 1HB ARG 68 2HB ARG 68 -4.967 -10.860 -9.260 544 2HB ARG 68 3HB ARG 68 -6.023 -9.516 -9.674 545 1HG ARG 68 2HG ARG 68 -4.582 -8.782 -11.390 546 2HG ARG 68 3HG ARG 68 -3.272 -9.825 -10.834 547 1HD ARG 68 2HD ARG 68 -4.495 -10.628 -12.877 548 2HD ARG 68 3HD ARG 68 -4.413 -11.781 -11.545 549 HE ARG 68 HE ARG 68 -6.798 -10.211 -11.476 550 1HH1 ARG 68 2HH1 ARG 68 -5.289 -12.976 -12.961 551 2HH1 ARG 68 1HH1 ARG 68 -6.789 -13.767 -13.316 552 1HH2 ARG 68 2HH2 ARG 68 -8.779 -11.243 -11.938 553 2HH2 ARG 68 1HH2 ARG 68 -8.773 -12.781 -12.735 554 H LYS 69 H LYS 69 -5.307 -10.559 -6.820 555 HA LYS 69 HA LYS 69 -7.488 -9.007 -5.914 556 1HB LYS 69 2HB LYS 69 -7.634 -10.702 -4.093 557 2HB LYS 69 3HB LYS 69 -7.560 -11.403 -5.705 558 1HG LYS 69 2HG LYS 69 -5.227 -11.947 -5.404 559 2HG LYS 69 3HG LYS 69 -5.217 -11.148 -3.830 560 1HD LYS 69 2HD LYS 69 -7.035 -13.457 -4.480 561 2HD LYS 69 3HD LYS 69 -5.420 -13.671 -3.801 562 1HE LYS 69 2HE LYS 69 -6.108 -12.173 -1.919 563 2HE LYS 69 3HE LYS 69 -7.747 -12.202 -2.569 564 1HZ LYS 69 1HZ LYS 69 -7.435 -14.751 -2.417 565 2HZ LYS 69 2HZ LYS 69 -7.805 -13.877 -1.017 566 3HZ LYS 69 3HZ LYS 69 -6.214 -14.373 -1.307 567 H LYS 70 H LYS 70 -4.200 -9.440 -4.742 568 HA LYS 70 HA LYS 70 -4.420 -8.274 -2.229 569 1HB LYS 70 2HB LYS 70 -2.405 -9.441 -3.163 570 2HB LYS 70 3HB LYS 70 -2.065 -7.993 -4.101 571 1HG LYS 70 2HG LYS 70 -1.343 -6.822 -2.298 572 2HG LYS 70 3HG LYS 70 -2.426 -7.657 -1.182 573 1HD LYS 70 2HD LYS 70 -0.170 -9.145 -2.462 574 2HD LYS 70 3HD LYS 70 0.144 -8.094 -1.079 575 1HE LYS 70 2HE LYS 70 -1.054 -9.412 0.366 576 2HE LYS 70 3HE LYS 70 -2.099 -10.043 -0.906 577 1HZ LYS 70 1HZ LYS 70 -0.495 -11.558 -1.581 578 2HZ LYS 70 2HZ LYS 70 -0.366 -11.596 0.105 579 3HZ LYS 70 3HZ LYS 70 0.768 -10.738 -0.811 580 H VAL 71 H VAL 71 -3.515 -6.695 -5.296 581 HA VAL 71 HA VAL 71 -3.494 -4.076 -4.202 582 HB VAL 71 HB VAL 71 -3.433 -3.296 -6.534 583 1HG1 VAL 71 1HG1 VAL 71 -1.599 -5.241 -5.371 584 2HG1 VAL 71 2HG1 VAL 71 -1.478 -5.130 -7.128 585 3HG1 VAL 71 3HG1 VAL 71 -1.269 -3.687 -6.135 586 1HG2 VAL 71 1HG2 VAL 71 -3.861 -6.205 -7.208 587 2HG2 VAL 71 2HG2 VAL 71 -4.972 -4.875 -7.537 588 3HG2 VAL 71 3HG2 VAL 71 -3.416 -4.950 -8.365 589 H ARG 72 H ARG 72 -5.946 -6.042 -5.767 590 HA ARG 72 HA ARG 72 -7.844 -4.111 -6.371 591 1HB ARG 72 2HB ARG 72 -7.729 -6.915 -6.328 592 2HB ARG 72 3HB ARG 72 -9.103 -6.487 -5.317 593 1HG ARG 72 2HG ARG 72 -10.275 -6.359 -7.199 594 2HG ARG 72 3HG ARG 72 -9.402 -4.859 -7.521 595 1HD ARG 72 2HD ARG 72 -7.604 -6.357 -8.565 596 2HD ARG 72 3HD ARG 72 -8.830 -7.624 -8.541 597 HE ARG 72 HE ARG 72 -9.864 -5.293 -9.754 598 1HH1 ARG 72 2HH1 ARG 72 -7.650 -7.917 -10.331 599 2HH1 ARG 72 1HH1 ARG 72 -7.843 -7.874 -12.053 600 1HH2 ARG 72 2HH2 ARG 72 -10.126 -5.226 -12.019 601 2HH2 ARG 72 1HH2 ARG 72 -9.251 -6.342 -13.012 602 H GLU 73 H GLU 73 -7.526 -6.000 -3.366 603 HA GLU 73 HA GLU 73 -9.605 -4.593 -2.022 604 1HB GLU 73 2HB GLU 73 -8.784 -5.749 -0.003 605 2HB GLU 73 3HB GLU 73 -9.013 -6.850 -1.354 606 1HG GLU 73 2HG GLU 73 -6.577 -6.716 -1.806 607 2HG GLU 73 3HG GLU 73 -6.404 -5.748 -0.342 608 H LYS 74 H LYS 74 -6.073 -4.365 -2.008 609 HA LYS 74 HA LYS 74 -5.754 -2.506 0.035 610 1HB LYS 74 2HB LYS 74 -4.052 -3.804 -1.596 611 2HB LYS 74 3HB LYS 74 -4.006 -2.213 -2.343 612 1HG LYS 74 2HG LYS 74 -3.352 -2.878 0.518 613 2HG LYS 74 3HG LYS 74 -2.219 -2.407 -0.750 614 1HD LYS 74 2HD LYS 74 -4.458 -0.682 0.309 615 2HD LYS 74 3HD LYS 74 -2.763 -0.549 0.782 616 1HE LYS 74 2HE LYS 74 -2.488 -0.406 -1.878 617 2HE LYS 74 3HE LYS 74 -4.112 0.262 -1.724 618 1HZ LYS 74 1HZ LYS 74 -1.602 1.452 -1.084 619 2HZ LYS 74 2HZ LYS 74 -2.660 1.504 0.235 620 3HZ LYS 74 3HZ LYS 74 -3.122 2.176 -1.247 621 H PHE 75 H PHE 75 -6.096 -1.901 -3.460 622 HA PHE 75 HA PHE 75 -6.141 0.920 -3.213 623 1HB PHE 75 2HB PHE 75 -6.058 0.841 -5.451 624 2HB PHE 75 3HB PHE 75 -6.058 -0.914 -5.312 625 HD1 PHE 75 HD1 PHE 75 -7.955 -2.200 -5.923 626 HD2 PHE 75 HD2 PHE 75 -8.169 2.051 -5.865 627 HE1 PHE 75 HE1 PHE 75 -10.102 -2.295 -7.121 628 HE2 PHE 75 HE2 PHE 75 -10.317 1.962 -7.062 629 HZ PHE 75 HZ PHE 75 -11.287 -0.213 -7.690 630 H ASP 76 H ASP 76 -8.626 -1.550 -3.155 631 HA ASP 76 HA ASP 76 -10.892 0.038 -3.501 632 1HB ASP 76 2HB ASP 76 -10.892 -2.446 -3.472 633 2HB ASP 76 3HB ASP 76 -10.635 -2.401 -1.730 634 H GLU 77 H GLU 77 -9.312 -0.950 -0.463 635 HA GLU 77 HA GLU 77 -11.001 0.626 1.187 636 1HB GLU 77 2HB GLU 77 -9.296 0.180 2.946 637 2HB GLU 77 3HB GLU 77 -9.865 -1.271 2.134 638 1HG GLU 77 2HG GLU 77 -7.824 -1.136 0.681 639 2HG GLU 77 3HG GLU 77 -7.242 0.141 1.748 640 H ASN 78 H ASN 78 -7.708 1.102 -0.056 641 HA ASN 78 HA ASN 78 -7.063 3.475 1.189 642 1HB ASN 78 2HB ASN 78 -5.620 2.051 -0.363 643 2HB ASN 78 3HB ASN 78 -6.386 2.910 -1.697 644 1HD2 ASN 78 1HD2 ASN 78 -5.015 4.336 -2.469 645 2HD2 ASN 78 2HD2 ASN 78 -4.028 5.408 -1.540 646 H SER 79 H SER 79 -9.062 2.953 -1.666 647 HA SER 79 HA SER 79 -9.374 5.754 -2.218 648 1HB SER 79 2HB SER 79 -10.738 5.100 -4.025 649 2HB SER 79 3HB SER 79 -9.552 3.802 -3.891 650 HG SER 79 HG SER 79 -11.742 3.062 -4.108 651 H ARG 80 H ARG 80 -11.264 3.248 -0.609 652 HA ARG 80 HA ARG 80 -13.557 4.901 -0.187 653 1HB ARG 80 2HB ARG 80 -14.522 3.061 0.765 654 2HB ARG 80 3HB ARG 80 -13.245 2.263 -0.144 655 1HG ARG 80 2HG ARG 80 -12.882 1.250 1.833 656 2HG ARG 80 3HG ARG 80 -11.934 2.706 2.145 657 1HD ARG 80 2HD ARG 80 -13.362 3.440 3.712 658 2HD ARG 80 3HD ARG 80 -14.778 2.983 2.766 659 HE ARG 80 HE ARG 80 -13.655 0.634 3.710 660 1HH1 ARG 80 2HH1 ARG 80 -15.088 3.519 5.030 661 2HH1 ARG 80 1HH1 ARG 80 -15.689 2.728 6.450 662 1HH2 ARG 80 2HH2 ARG 80 -14.441 -0.419 5.575 663 2HH2 ARG 80 1HH2 ARG 80 -15.320 0.488 6.759 664 H MET 81 H MET 81 -10.510 4.876 1.182 665 HA MET 81 HA MET 81 -10.695 5.169 3.858 666 1HB MET 81 2HB MET 81 -9.137 6.845 1.895 667 2HB MET 81 3HB MET 81 -8.940 7.001 3.635 668 1HG MET 81 2HG MET 81 -8.499 4.475 2.060 669 2HG MET 81 3HG MET 81 -7.233 5.573 2.604 670 1HE MET 81 1HE MET 81 -6.873 6.230 5.017 671 2HE MET 81 2HE MET 81 -8.487 6.257 5.728 672 3HE MET 81 3HE MET 81 -7.239 5.216 6.414 673 H GLN 82 H GLN 82 -11.134 6.842 5.335 674 HA GLN 82 HA GLN 82 -13.411 8.408 4.717 675 1HB GLN 82 2HB GLN 82 -11.546 8.530 7.092 676 2HB GLN 82 3HB GLN 82 -13.095 9.356 6.988 677 1HG GLN 82 2HG GLN 82 -14.094 7.035 6.591 678 2HG GLN 82 3HG GLN 82 -12.547 6.418 7.169 679 1HE2 GLN 82 1HE2 GLN 82 -14.404 5.562 8.663 680 2HE2 GLN 82 2HE2 GLN 82 -14.613 6.460 10.124 681 H TYR 83 H TYR 83 -13.620 10.707 4.757 682 HA TYR 83 HA TYR 83 -11.855 12.075 3.111 683 1HB TYR 83 2HB TYR 83 -14.304 12.619 4.352 684 2HB TYR 83 3HB TYR 83 -13.221 13.891 4.907 685 HD1 TYR 83 HD1 TYR 83 -11.570 14.593 2.730 686 HD2 TYR 83 HD2 TYR 83 -15.637 13.349 2.624 687 HE1 TYR 83 HE1 TYR 83 -11.873 15.786 0.601 688 HE2 TYR 83 HE2 TYR 83 -15.951 14.538 0.494 689 HH TYR 83 HH TYR 83 -15.040 16.052 -0.921 690 H SER 84 H SER 84 -11.997 11.926 6.632 691 HA SER 84 HA SER 84 -10.114 13.932 7.188 692 1HB SER 84 2HB SER 84 -10.406 11.475 8.897 693 2HB SER 84 3HB SER 84 -10.119 13.142 9.396 694 HG SER 84 HG SER 84 -12.216 13.623 9.046 695 H GLU 85 H GLU 85 -9.687 10.405 6.933 696 HA GLU 85 HA GLU 85 -6.880 10.463 7.276 697 1HB GLU 85 2HB GLU 85 -8.866 8.494 7.009 698 2HB GLU 85 3HB GLU 85 -7.746 8.218 5.682 699 1HG GLU 85 2HG GLU 85 -6.108 7.510 7.037 700 2HG GLU 85 3HG GLU 85 -6.481 8.699 8.283 701 H LEU 86 H LEU 86 -8.966 10.733 4.478 702 HA LEU 86 HA LEU 86 -6.969 10.352 2.504 703 1HB LEU 86 2HB LEU 86 -9.682 10.592 2.491 704 2HB LEU 86 3HB LEU 86 -9.189 12.145 1.819 705 HG LEU 86 HG LEU 86 -9.694 10.476 0.085 706 1HD1 LEU 86 1HD1 LEU 86 -7.548 10.712 -1.168 707 2HD1 LEU 86 2HD1 LEU 86 -6.833 11.393 0.293 708 3HD1 LEU 86 3HD1 LEU 86 -8.175 12.219 -0.500 709 1HD2 LEU 86 1HD2 LEU 86 -8.215 8.767 1.778 710 2HD2 LEU 86 2HD2 LEU 86 -7.325 8.897 0.261 711 3HD2 LEU 86 3HD2 LEU 86 -9.009 8.373 0.253 712 H MET 87 H MET 87 -8.368 13.268 3.974 713 HA MET 87 HA MET 87 -6.716 15.063 2.492 714 1HB MET 87 2HB MET 87 -8.843 15.246 4.449 715 2HB MET 87 3HB MET 87 -7.555 16.389 4.808 716 1HG MET 87 2HG MET 87 -9.318 17.351 3.400 717 2HG MET 87 3HG MET 87 -7.739 17.360 2.617 718 1HE MET 87 1HE MET 87 -8.165 16.748 -0.371 719 2HE MET 87 2HE MET 87 -7.006 16.297 0.880 720 3HE MET 87 3HE MET 87 -7.755 15.051 -0.120 721 H THR 88 H THR 88 -6.348 13.258 5.416 722 HA THR 88 HA THR 88 -4.224 14.860 6.500 723 HB THR 88 HB THR 88 -5.181 12.079 7.194 724 HG1 THR 88 HG1 THR 88 -5.693 14.678 8.141 725 1HG2 THR 88 1HG2 THR 88 -2.944 12.063 7.892 726 2HG2 THR 88 2HG2 THR 88 -3.833 12.565 9.330 727 3HG2 THR 88 3HG2 THR 88 -2.983 13.764 8.356 728 H LYS 89 H LYS 89 -4.463 11.907 4.587 729 HA LYS 89 HA LYS 89 -1.650 11.364 4.656 730 1HB LYS 89 2HB LYS 89 -3.961 9.976 3.877 731 2HB LYS 89 3HB LYS 89 -3.013 10.161 2.407 732 1HG LYS 89 2HG LYS 89 -2.158 8.202 3.180 733 2HG LYS 89 3HG LYS 89 -1.058 9.336 3.967 734 1HD LYS 89 2HD LYS 89 -3.547 8.615 5.413 735 2HD LYS 89 3HD LYS 89 -2.289 7.383 5.296 736 1HE LYS 89 2HE LYS 89 -1.077 9.872 5.974 737 2HE LYS 89 3HE LYS 89 -2.435 9.592 7.063 738 1HZ LYS 89 1HZ LYS 89 -0.392 8.642 7.931 739 2HZ LYS 89 2HZ LYS 89 -0.213 7.689 6.546 740 3HZ LYS 89 3HZ LYS 89 -1.515 7.422 7.593 741 H TYR 90 H TYR 90 -3.513 13.623 3.036 742 HA TYR 90 HA TYR 90 -1.581 13.820 0.824 743 1HB TYR 90 2HB TYR 90 -3.814 13.577 -0.018 744 2HB TYR 90 3HB TYR 90 -4.421 14.820 1.071 745 HD1 TYR 90 HD1 TYR 90 -4.089 17.171 0.587 746 HD2 TYR 90 HD2 TYR 90 -2.565 14.176 -2.022 747 HE1 TYR 90 HE1 TYR 90 -3.725 18.876 -1.148 748 HE2 TYR 90 HE2 TYR 90 -2.196 15.873 -3.764 749 HH TYR 90 HH TYR 90 -3.531 18.524 -4.061 750 H HIS 91 H HIS 91 -3.102 15.545 3.466 751 HA HIS 91 HA HIS 91 -1.609 17.977 2.838 752 1HB HIS 91 2HB HIS 91 -4.094 17.884 3.600 753 2HB HIS 91 3HB HIS 91 -3.422 17.653 5.212 754 HD1 HIS 91 HD1 HIS 91 -3.204 19.764 6.458 755 HD2 HIS 91 HD2 HIS 91 -2.795 20.352 2.366 756 HE1 HIS 91 HE1 HIS 91 -2.872 22.239 6.165 757 H ASP 92 H ASP 92 -1.595 15.282 5.010 758 HA ASP 92 HA ASP 92 0.420 16.555 6.716 759 1HB ASP 92 2HB ASP 92 -1.706 15.007 7.401 760 2HB ASP 92 3HB ASP 92 -0.432 13.793 7.318 761 H LEU 93 H LEU 93 -0.080 13.492 4.961 762 HA LEU 93 HA LEU 93 2.517 12.504 5.254 763 1HB LEU 93 2HB LEU 93 0.179 11.658 4.058 764 2HB LEU 93 3HB LEU 93 1.290 11.833 2.701 765 HG LEU 93 HG LEU 93 1.311 9.554 3.484 766 1HD1 LEU 93 1HD1 LEU 93 3.405 10.317 2.652 767 2HD1 LEU 93 2HD1 LEU 93 3.730 9.351 4.091 768 3HD1 LEU 93 3HD1 LEU 93 3.791 11.112 4.178 769 1HD2 LEU 93 1HD2 LEU 93 1.239 8.941 5.627 770 2HD2 LEU 93 2HD2 LEU 93 0.892 10.634 5.982 771 3HD2 LEU 93 3HD2 LEU 93 2.549 10.035 6.072 772 H LYS 94 H LYS 94 1.326 15.061 3.325 773 HA LYS 94 HA LYS 94 3.181 15.007 1.201 774 1HB LYS 94 2HB LYS 94 2.632 17.480 1.040 775 2HB LYS 94 3HB LYS 94 1.268 16.375 0.928 776 1HG LYS 94 2HG LYS 94 0.290 17.606 2.490 777 2HG LYS 94 3HG LYS 94 1.454 16.929 3.632 778 1HD LYS 94 2HD LYS 94 2.344 19.240 2.002 779 2HD LYS 94 3HD LYS 94 1.153 19.557 3.266 780 1HE LYS 94 2HE LYS 94 2.907 17.994 4.607 781 2HE LYS 94 3HE LYS 94 3.992 18.800 3.475 782 1HZ LYS 94 1HZ LYS 94 2.261 20.722 4.527 783 2HZ LYS 94 2HZ LYS 94 3.931 20.584 4.759 784 3HZ LYS 94 3HZ LYS 94 2.862 19.822 5.827 785 H LYS 95 H LYS 95 3.574 15.691 4.499 786 HA LYS 95 HA LYS 95 5.531 17.653 4.559 787 1HB LYS 95 2HB LYS 95 4.827 15.350 6.315 788 2HB LYS 95 3HB LYS 95 6.362 16.161 6.599 789 1HG LYS 95 2HG LYS 95 4.017 17.919 6.310 790 2HG LYS 95 3HG LYS 95 4.046 16.891 7.744 791 1HD LYS 95 2HD LYS 95 5.340 18.461 8.668 792 2HD LYS 95 3HD LYS 95 6.622 17.875 7.607 793 1HE LYS 95 2HE LYS 95 6.668 20.048 6.974 794 2HE LYS 95 3HE LYS 95 5.371 19.517 5.905 795 1HZ LYS 95 1HZ LYS 95 3.907 20.144 7.957 796 2HZ LYS 95 2HZ LYS 95 4.419 21.335 6.870 797 3HZ LYS 95 3HZ LYS 95 5.222 21.135 8.346 798 H GLN 96 H GLN 96 5.832 14.202 3.902 799 HA GLN 96 HA GLN 96 8.657 14.656 3.196 800 1HB GLN 96 2HB GLN 96 9.140 12.376 3.798 801 2HB GLN 96 3HB GLN 96 8.320 13.147 5.148 802 1HG GLN 96 2HG GLN 96 6.182 12.116 4.110 803 2HG GLN 96 3HG GLN 96 7.315 11.058 3.271 804 1HE2 GLN 96 1HE2 GLN 96 6.682 12.315 6.528 805 2HE2 GLN 96 2HE2 GLN 96 7.003 10.830 7.349 806 H GLY 97 H GLY 97 5.583 13.312 2.249 807 1HA GLY 97 2HA GLY 97 6.607 11.997 -0.103 808 2HA GLY 97 3HA GLY 97 4.915 12.216 0.319 809 H LYS 98 H LYS 98 5.059 12.557 -2.151 810 HA LYS 98 HA LYS 98 5.006 15.441 -2.585 811 1HB LYS 98 2HB LYS 98 6.308 15.312 -4.634 812 2HB LYS 98 3HB LYS 98 7.261 14.726 -3.278 813 1HG LYS 98 2HG LYS 98 5.736 12.796 -4.970 814 2HG LYS 98 3HG LYS 98 7.283 13.438 -5.528 815 1HD LYS 98 2HD LYS 98 8.106 12.741 -3.152 816 2HD LYS 98 3HD LYS 98 6.687 11.692 -3.174 817 1HE LYS 98 2HE LYS 98 8.318 10.308 -4.040 818 2HE LYS 98 3HE LYS 98 7.589 10.969 -5.503 819 1HZ LYS 98 1HZ LYS 98 10.216 10.973 -4.990 820 2HZ LYS 98 2HZ LYS 98 9.789 12.512 -4.435 821 3HZ LYS 98 3HZ LYS 98 9.453 12.066 -6.032 822 H ILE 99 H ILE 99 3.755 16.079 -4.421 823 HA ILE 99 HA ILE 99 2.215 13.994 -5.763 824 HB ILE 99 HB ILE 99 0.812 14.470 -3.871 825 1HG1 ILE 99 2HG1 ILE 99 -0.040 14.541 -6.414 826 2HG1 ILE 99 3HG1 ILE 99 -1.132 14.709 -5.043 827 1HG2 ILE 99 1HG2 ILE 99 1.580 16.527 -3.054 828 2HG2 ILE 99 2HG2 ILE 99 1.304 17.340 -4.593 829 3HG2 ILE 99 3HG2 ILE 99 -0.066 16.851 -3.597 830 1HD1 ILE 99 1HD1 ILE 99 -1.327 16.362 -6.994 831 2HD1 ILE 99 2HD1 ILE 99 -1.356 16.996 -5.348 832 3HD1 ILE 99 3HD1 ILE 99 0.116 17.111 -6.312 833 H LYS 100 H LYS 100 1.441 14.575 -7.768 834 HA LYS 100 HA LYS 100 2.117 17.291 -8.689 835 1HB LYS 100 2HB LYS 100 2.297 14.771 -10.346 836 2HB LYS 100 3HB LYS 100 2.788 16.390 -10.828 837 1HG LYS 100 2HG LYS 100 4.047 14.814 -8.593 838 2HG LYS 100 3HG LYS 100 4.681 14.920 -10.237 839 1HD LYS 100 2HD LYS 100 4.135 17.391 -8.627 840 2HD LYS 100 3HD LYS 100 5.645 16.497 -8.436 841 1HE LYS 100 2HE LYS 100 6.040 16.723 -10.866 842 2HE LYS 100 3HE LYS 100 4.574 17.695 -10.990 843 1HZ LYS 100 1HZ LYS 100 6.011 19.378 -10.702 844 2HZ LYS 100 2HZ LYS 100 7.189 18.413 -9.965 845 3HZ LYS 100 3HZ LYS 100 5.880 18.988 -9.060 846 H ASP 101 H ASP 101 0.653 18.329 -9.972 847 HA ASP 101 HA ASP 101 -1.902 16.930 -10.415 848 1HB ASP 101 2HB ASP 101 -2.940 19.197 -10.366 849 2HB ASP 101 3HB ASP 101 -2.174 18.746 -8.845 850 H ARG 102 H ARG 102 -1.045 16.124 -12.437 851 HA ARG 102 HA ARG 102 -0.262 17.913 -14.518 852 1HB ARG 102 2HB ARG 102 -0.816 14.995 -14.295 853 2HB ARG 102 3HB ARG 102 -0.857 15.715 -15.899 854 1HG ARG 102 2HG ARG 102 1.438 16.649 -15.392 855 2HG ARG 102 3HG ARG 102 1.448 15.590 -13.980 856 1HD ARG 102 2HD ARG 102 2.582 14.549 -15.874 857 2HD ARG 102 3HD ARG 102 1.133 13.650 -15.425 858 HE ARG 102 HE ARG 102 0.458 15.478 -17.435 859 1HH1 ARG 102 2HH1 ARG 102 2.353 12.590 -16.993 860 2HH1 ARG 102 1HH1 ARG 102 2.166 12.060 -18.632 861 1HH2 ARG 102 2HH2 ARG 102 0.205 14.791 -19.595 862 2HH2 ARG 102 1HH2 ARG 102 0.945 13.313 -20.112 863 HA PRO 103 HA PRO 103 -4.093 19.093 -16.298 864 1HB PRO 103 2HB PRO 103 -3.581 18.940 -18.960 865 2HB PRO 103 3HB PRO 103 -2.895 20.195 -17.920 866 1HG PRO 103 2HG PRO 103 -1.646 17.659 -18.905 867 2HG PRO 103 3HG PRO 103 -0.944 19.284 -18.797 868 1HD PRO 103 2HD PRO 103 -0.442 17.355 -16.964 869 2HD PRO 103 3HD PRO 103 -0.500 19.079 -16.544 870 H VAL 104 H VAL 104 -5.997 18.127 -16.655 871 HA VAL 104 HA VAL 104 -6.144 15.308 -17.073 872 HB VAL 104 HB VAL 104 -7.779 16.619 -15.702 873 1HG1 VAL 104 1HG1 VAL 104 -7.934 18.306 -17.787 874 2HG1 VAL 104 2HG1 VAL 104 -9.349 17.301 -18.107 875 3HG1 VAL 104 3HG1 VAL 104 -9.198 18.150 -16.568 876 1HG2 VAL 104 1HG2 VAL 104 -8.925 14.953 -17.941 877 2HG2 VAL 104 2HG2 VAL 104 -8.274 14.346 -16.419 878 3HG2 VAL 104 3HG2 VAL 104 -9.739 15.328 -16.422 879 H LYS 105 H LYS 105 -6.614 14.163 -18.872 880 HA LYS 105 HA LYS 105 -6.510 15.572 -21.410 881 1HB LYS 105 2HB LYS 105 -6.306 12.690 -20.591 882 2HB LYS 105 3HB LYS 105 -6.568 13.123 -22.275 883 1HG LYS 105 2HG LYS 105 -4.294 14.241 -20.666 884 2HG LYS 105 3HG LYS 105 -4.176 12.719 -21.552 885 1HD LYS 105 2HD LYS 105 -5.042 15.286 -22.861 886 2HD LYS 105 3HD LYS 105 -3.346 14.808 -22.744 887 1HE LYS 105 2HE LYS 105 -3.577 13.124 -24.255 888 2HE LYS 105 3HE LYS 105 -5.247 12.793 -23.795 889 1HZ LYS 105 1HZ LYS 105 -5.267 13.704 -25.966 890 2HZ LYS 105 2HZ LYS 105 -4.259 14.989 -25.525 891 3HZ LYS 105 3HZ LYS 105 -5.841 14.914 -24.932 892 H GLU 106 H GLU 106 -8.130 15.686 -22.895 893 HA GLU 106 HA GLU 106 -10.807 15.302 -21.953 894 1HB GLU 106 2HB GLU 106 -9.579 16.334 -24.484 895 2HB GLU 106 3HB GLU 106 -11.296 15.960 -24.437 896 1HG GLU 106 2HG GLU 106 -11.644 17.543 -22.661 897 2HG GLU 106 3HG GLU 106 -9.912 17.848 -22.547 898 H VAL 107 H VAL 107 -12.280 13.769 -22.504 899 HA VAL 107 HA VAL 107 -11.270 11.495 -24.080 900 HB VAL 107 HB VAL 107 -13.092 11.667 -21.722 901 1HG1 VAL 107 1HG1 VAL 107 -13.280 9.646 -23.931 902 2HG1 VAL 107 2HG1 VAL 107 -13.738 9.247 -22.274 903 3HG1 VAL 107 3HG1 VAL 107 -14.574 10.540 -23.134 904 1HG2 VAL 107 1HG2 VAL 107 -10.530 10.559 -22.363 905 2HG2 VAL 107 2HG2 VAL 107 -11.323 10.692 -20.794 906 3HG2 VAL 107 3HG2 VAL 107 -11.609 9.279 -21.810 907 H HIS 108 H HIS 108 -12.430 10.696 -25.771 908 HA HIS 108 HA HIS 108 -14.936 12.091 -26.448 909 1HB HIS 108 2HB HIS 108 -12.583 11.385 -28.177 910 2HB HIS 108 3HB HIS 108 -14.187 11.560 -28.882 911 HD1 HIS 108 HD1 HIS 108 -15.163 14.019 -27.298 912 HD2 HIS 108 HD2 HIS 108 -11.399 13.688 -29.024 913 HE1 HIS 108 HE1 HIS 108 -14.369 16.380 -27.636 914 H GLU 109 H GLU 109 -16.057 10.768 -28.333 915 HA GLU 109 HA GLU 109 -16.685 8.212 -27.182 916 1HB GLU 109 2HB GLU 109 -17.677 9.424 -29.767 917 2HB GLU 109 3HB GLU 109 -18.394 8.069 -28.906 918 1HG GLU 109 2HG GLU 109 -18.360 10.021 -26.992 919 2HG GLU 109 3HG GLU 109 -18.680 10.935 -28.465 920 H GLU 110 H GLU 110 -15.678 6.374 -27.613 921 HA GLU 110 HA GLU 110 -15.157 5.308 -30.099 922 1HB GLU 110 2HB GLU 110 -13.286 7.343 -29.486 923 2HB GLU 110 3HB GLU 110 -12.437 5.810 -29.349 924 1HG GLU 110 2HG GLU 110 -13.914 5.588 -31.691 925 2HG GLU 110 3HG GLU 110 -13.293 7.238 -31.700 926 H TYR 111 H TYR 111 -12.881 3.821 -29.752 927 HA TYR 111 HA TYR 111 -13.459 2.357 -27.261 928 1HB TYR 111 2HB TYR 111 -12.435 1.239 -29.879 929 2HB TYR 111 3HB TYR 111 -12.801 0.312 -28.429 930 HD1 TYR 111 HD1 TYR 111 -14.186 2.017 -31.336 931 HD2 TYR 111 HD2 TYR 111 -15.129 -0.039 -27.733 932 HE1 TYR 111 HE1 TYR 111 -16.503 1.736 -32.111 933 HE2 TYR 111 HE2 TYR 111 -17.449 -0.327 -28.498 934 HH TYR 111 HH TYR 111 -18.715 1.341 -31.194 935 H ASP 112 H ASP 112 -11.863 3.800 -26.268 936 HA ASP 112 HA ASP 112 -9.100 2.967 -26.866 937 1HB ASP 112 2HB ASP 112 -9.271 5.304 -27.309 938 2HB ASP 112 3HB ASP 112 -10.168 5.589 -25.821 939 H LEU 113 H LEU 113 -10.541 4.624 -24.077 940 HA LEU 113 HA LEU 113 -9.001 3.283 -22.171 941 1HB LEU 113 2HB LEU 113 -10.821 4.055 -20.569 942 2HB LEU 113 3HB LEU 113 -9.969 5.293 -21.490 943 HG LEU 113 HG LEU 113 -12.454 4.341 -22.732 944 1HD1 LEU 113 1HD1 LEU 113 -13.240 4.230 -20.480 945 2HD1 LEU 113 2HD1 LEU 113 -13.855 5.720 -21.196 946 3HD1 LEU 113 3HD1 LEU 113 -12.488 5.775 -20.083 947 1HD2 LEU 113 1HD2 LEU 113 -11.916 7.172 -22.045 948 2HD2 LEU 113 2HD2 LEU 113 -12.539 6.463 -23.535 949 3HD2 LEU 113 3HD2 LEU 113 -10.813 6.390 -23.177 950 H TRP 114 H TRP 114 -10.436 2.208 -20.226 951 HA TRP 114 HA TRP 114 -10.976 -0.400 -21.107 952 1HB TRP 114 2HB TRP 114 -11.661 1.024 -18.534 953 2HB TRP 114 3HB TRP 114 -11.976 -0.689 -18.796 954 HD1 TRP 114 HD1 TRP 114 -9.635 1.174 -16.980 955 HE1 TRP 114 HE1 TRP 114 -7.305 0.084 -16.878 956 HE3 TRP 114 HE3 TRP 114 -10.106 -2.116 -20.865 957 HZ2 TRP 114 HZ2 TRP 114 -5.859 -1.906 -18.261 958 HZ3 TRP 114 HZ3 TRP 114 -8.203 -3.577 -21.411 959 HH2 TRP 114 HH2 TRP 114 -6.124 -3.472 -20.135 960 H GLU 115 H GLU 115 -13.132 2.298 -20.339 961 HA GLU 115 HA GLU 115 -15.372 2.604 -20.642 962 1HB GLU 115 2HB GLU 115 -14.466 1.110 -23.064 963 2HB GLU 115 3HB GLU 115 -16.187 1.391 -22.845 964 1HG GLU 115 2HG GLU 115 -14.598 3.784 -22.415 965 2HG GLU 115 3HG GLU 115 -14.396 3.104 -24.029 966 H ASP 116 H ASP 116 -15.369 1.079 -18.645 967 HA ASP 116 HA ASP 116 -17.637 -0.551 -18.799 968 1HB ASP 116 2HB ASP 116 -15.181 -1.875 -19.538 969 2HB ASP 116 3HB ASP 116 -15.848 -2.597 -18.077 970 HA PRO 117 HA PRO 117 -15.605 -1.181 -14.473 971 1HB PRO 117 2HB PRO 117 -13.053 -0.318 -14.139 972 2HB PRO 117 3HB PRO 117 -13.451 -1.949 -14.694 973 1HG PRO 117 2HG PRO 117 -12.621 0.446 -16.288 974 2HG PRO 117 3HG PRO 117 -12.099 -1.241 -16.449 975 1HD PRO 117 2HD PRO 117 -13.956 -0.130 -18.076 976 2HD PRO 117 3HD PRO 117 -13.988 -1.847 -17.622 977 H ILE 118 H ILE 118 -14.031 1.661 -15.959 978 HA ILE 118 HA ILE 118 -14.723 3.327 -13.706 979 HB ILE 118 HB ILE 118 -13.831 5.143 -15.398 980 1HG1 ILE 118 2HG1 ILE 118 -12.237 4.241 -17.001 981 2HG1 ILE 118 3HG1 ILE 118 -12.617 2.598 -16.497 982 1HG2 ILE 118 1HG2 ILE 118 -11.439 3.950 -14.760 983 2HG2 ILE 118 2HG2 ILE 118 -12.365 5.030 -13.719 984 3HG2 ILE 118 3HG2 ILE 118 -12.549 3.284 -13.561 985 1HD1 ILE 118 1HD1 ILE 118 -14.747 4.384 -17.592 986 2HD1 ILE 118 2HD1 ILE 118 -13.650 3.513 -18.665 987 3HD1 ILE 118 3HD1 ILE 118 -14.680 2.623 -17.543 988 H TRP 119 H TRP 119 -16.305 2.306 -16.485 989 HA TRP 119 HA TRP 119 -17.852 4.730 -16.873 990 1HB TRP 119 2HB TRP 119 -17.318 3.475 -18.856 991 2HB TRP 119 3HB TRP 119 -17.984 1.999 -18.162 992 HD1 TRP 119 HD1 TRP 119 -20.129 1.438 -19.430 993 HE1 TRP 119 HE1 TRP 119 -22.183 2.749 -20.260 994 HE3 TRP 119 HE3 TRP 119 -18.680 6.153 -18.087 995 HZ2 TRP 119 HZ2 TRP 119 -23.071 5.427 -20.335 996 HZ3 TRP 119 HZ3 TRP 119 -20.189 8.035 -18.574 997 HH2 TRP 119 HH2 TRP 119 -22.339 7.677 -19.675 998 H GLN 120 H GLN 120 -18.148 1.642 -15.283 999 HA GLN 120 HA GLN 120 -20.986 1.973 -14.793 1000 1HB GLN 120 2HB GLN 120 -20.248 -0.272 -15.169 1001 2HB GLN 120 3HB GLN 120 -18.989 -0.125 -13.950 1002 1HG GLN 120 2HG GLN 120 -21.053 -1.449 -13.322 1003 2HG GLN 120 3HG GLN 120 -20.524 -0.207 -12.189 1004 1HE2 GLN 120 1HE2 GLN 120 -22.392 -0.039 -15.194 1005 2HE2 GLN 120 2HE2 GLN 120 -23.773 0.730 -14.496 1006 H TYR 121 H TYR 121 -18.386 1.170 -12.505 1007 HA TYR 121 HA TYR 121 -18.894 3.482 -10.879 1008 1HB TYR 121 2HB TYR 121 -20.682 1.519 -10.439 1009 2HB TYR 121 3HB TYR 121 -19.396 0.980 -9.365 1010 HD1 TYR 121 HD1 TYR 121 -21.203 4.142 -10.225 1011 HD2 TYR 121 HD2 TYR 121 -19.470 1.722 -7.185 1012 HE1 TYR 121 HE1 TYR 121 -21.963 5.747 -8.523 1013 HE2 TYR 121 HE2 TYR 121 -20.226 3.319 -5.474 1014 HH TYR 121 HH TYR 121 -22.257 5.125 -5.411 1015 H ILE 122 H ILE 122 -17.753 3.021 -8.600 1016 HA ILE 122 HA ILE 122 -15.039 2.858 -9.061 1017 HB ILE 122 HB ILE 122 -16.485 2.200 -6.492 1018 1HG1 ILE 122 2HG1 ILE 122 -15.122 4.802 -7.050 1019 2HG1 ILE 122 3HG1 ILE 122 -16.715 4.518 -7.741 1020 1HG2 ILE 122 1HG2 ILE 122 -14.294 1.377 -6.251 1021 2HG2 ILE 122 2HG2 ILE 122 -13.595 2.761 -7.090 1022 3HG2 ILE 122 3HG2 ILE 122 -14.284 2.963 -5.480 1023 1HD1 ILE 122 1HD1 ILE 122 -16.765 5.726 -5.591 1024 2HD1 ILE 122 2HD1 ILE 122 -17.659 4.205 -5.558 1025 3HD1 ILE 122 3HD1 ILE 122 -16.064 4.307 -4.813 Start of MODEL 9 1 H MET 1 H MET 1 5.520 -6.195 -5.336 2 HA MET 1 HA MET 1 3.163 -7.688 -5.078 3 1HB MET 1 2HB MET 1 4.987 -6.874 -3.324 4 2HB MET 1 3HB MET 1 3.803 -5.603 -3.047 5 1HG MET 1 2HG MET 1 3.110 -7.110 -1.502 6 2HG MET 1 3HG MET 1 2.153 -7.646 -2.881 7 1HE MET 1 1HE MET 1 3.340 -10.361 -4.357 8 2HE MET 1 2HE MET 1 2.526 -11.041 -2.948 9 3HE MET 1 3HE MET 1 1.938 -9.542 -3.670 10 H GLN 2 H GLN 2 3.531 -4.180 -4.522 11 HA GLN 2 HA GLN 2 0.681 -3.801 -4.858 12 1HB GLN 2 2HB GLN 2 2.756 -1.645 -4.502 13 2HB GLN 2 3HB GLN 2 1.039 -1.564 -4.134 14 1HG GLN 2 2HG GLN 2 3.030 -3.307 -2.702 15 2HG GLN 2 3HG GLN 2 2.451 -1.743 -2.130 16 1HE2 GLN 2 1HE2 GLN 2 1.491 -5.028 -2.910 17 2HE2 GLN 2 2HE2 GLN 2 0.089 -5.058 -1.900 18 H LYS 3 H LYS 3 3.646 -3.128 -6.616 19 HA LYS 3 HA LYS 3 2.173 -1.762 -8.732 20 1HB LYS 3 2HB LYS 3 5.132 -2.306 -8.428 21 2HB LYS 3 3HB LYS 3 4.402 -1.351 -9.711 22 1HG LYS 3 2HG LYS 3 4.955 0.352 -8.347 23 2HG LYS 3 3HG LYS 3 3.412 -0.054 -7.591 24 1HD LYS 3 2HD LYS 3 5.006 0.146 -5.840 25 2HD LYS 3 3HD LYS 3 4.691 -1.578 -6.049 26 1HE LYS 3 2HE LYS 3 6.969 -1.624 -5.969 27 2HE LYS 3 3HE LYS 3 6.750 -1.379 -7.701 28 1HZ LYS 3 1HZ LYS 3 6.757 1.142 -6.635 29 2HZ LYS 3 2HZ LYS 3 8.032 0.401 -7.464 30 3HZ LYS 3 3HZ LYS 3 7.969 0.334 -5.774 31 H GLY 4 H GLY 4 2.319 -2.434 -10.947 32 1HA GLY 4 2HA GLY 4 3.026 -4.095 -12.577 33 2HA GLY 4 3HA GLY 4 2.971 -5.292 -11.292 34 H LEU 5 H LEU 5 0.420 -2.992 -11.383 35 HA LEU 5 HA LEU 5 -1.318 -4.802 -12.887 36 1HB LEU 5 2HB LEU 5 -1.707 -3.928 -10.044 37 2HB LEU 5 3HB LEU 5 -3.070 -4.397 -11.058 38 HG LEU 5 HG LEU 5 -2.534 -6.292 -9.766 39 1HD1 LEU 5 1HD1 LEU 5 -0.980 -7.181 -12.085 40 2HD1 LEU 5 2HD1 LEU 5 -2.496 -6.372 -12.482 41 3HD1 LEU 5 3HD1 LEU 5 -2.502 -7.789 -11.432 42 1HD2 LEU 5 1HD2 LEU 5 0.180 -6.831 -10.503 43 2HD2 LEU 5 2HD2 LEU 5 -0.522 -6.637 -8.896 44 3HD2 LEU 5 3HD2 LEU 5 0.068 -5.227 -9.777 45 H GLU 6 H GLU 6 -3.370 -3.813 -13.503 46 HA GLU 6 HA GLU 6 -3.169 -0.876 -13.649 47 1HB GLU 6 2HB GLU 6 -4.641 -2.524 -15.681 48 2HB GLU 6 3HB GLU 6 -3.995 -0.897 -15.839 49 1HG GLU 6 2HG GLU 6 -1.736 -1.763 -15.876 50 2HG GLU 6 3HG GLU 6 -2.338 -3.400 -15.626 51 H ILE 7 H ILE 7 -4.869 0.303 -12.994 52 HA ILE 7 HA ILE 7 -7.479 -0.971 -12.674 53 HB ILE 7 HB ILE 7 -7.566 0.325 -10.385 54 1HG1 ILE 7 2HG1 ILE 7 -5.066 1.019 -10.936 55 2HG1 ILE 7 3HG1 ILE 7 -5.583 0.702 -9.283 56 1HG2 ILE 7 1HG2 ILE 7 -8.020 -1.971 -10.413 57 2HG2 ILE 7 2HG2 ILE 7 -6.379 -2.379 -10.915 58 3HG2 ILE 7 3HG2 ILE 7 -6.683 -1.801 -9.276 59 1HD1 ILE 7 1HD1 ILE 7 -4.458 -1.297 -9.176 60 2HD1 ILE 7 2HD1 ILE 7 -4.460 -1.515 -10.926 61 3HD1 ILE 7 3HD1 ILE 7 -3.383 -0.331 -10.186 62 H ALA 8 H ALA 8 -9.222 0.450 -12.712 63 HA ALA 8 HA ALA 8 -8.548 3.234 -13.415 64 1HB ALA 8 1HB ALA 8 -9.472 2.704 -15.384 65 2HB ALA 8 2HB ALA 8 -10.254 1.260 -14.740 66 3HB ALA 8 3HB ALA 8 -11.008 2.840 -14.527 67 H PHE 9 H PHE 9 -9.848 4.884 -12.621 68 HA PHE 9 HA PHE 9 -11.941 4.139 -10.706 69 1HB PHE 9 2HB PHE 9 -10.072 4.494 -9.278 70 2HB PHE 9 3HB PHE 9 -9.571 5.926 -10.171 71 HD1 PHE 9 HD1 PHE 9 -10.049 7.979 -9.270 72 HD2 PHE 9 HD2 PHE 9 -12.508 4.657 -8.253 73 HE1 PHE 9 HE1 PHE 9 -11.313 9.398 -7.706 74 HE2 PHE 9 HE2 PHE 9 -13.776 6.070 -6.688 75 HZ PHE 9 HZ PHE 9 -13.180 8.444 -6.414 76 H GLN 10 H GLN 10 -13.682 5.471 -10.674 77 HA GLN 10 HA GLN 10 -13.715 7.613 -12.664 78 1HB GLN 10 2HB GLN 10 -15.493 6.049 -12.942 79 2HB GLN 10 3HB GLN 10 -15.905 6.112 -11.234 80 1HG GLN 10 2HG GLN 10 -16.597 8.463 -11.524 81 2HG GLN 10 3HG GLN 10 -16.270 8.316 -13.250 82 1HE2 GLN 10 1HE2 GLN 10 -18.666 9.068 -12.902 83 2HE2 GLN 10 2HE2 GLN 10 -19.830 7.795 -12.999 84 H THR 11 H THR 11 -14.503 9.695 -12.198 85 HA THR 11 HA THR 11 -15.089 10.448 -9.473 86 HB THR 11 HB THR 11 -12.751 10.560 -9.192 87 HG1 THR 11 HG1 THR 11 -12.912 12.523 -8.440 88 1HG2 THR 11 1HG2 THR 11 -11.412 12.008 -10.902 89 2HG2 THR 11 2HG2 THR 11 -12.745 11.620 -11.989 90 3HG2 THR 11 3HG2 THR 11 -11.780 10.326 -11.280 91 H ILE 12 H ILE 12 -15.948 12.555 -9.286 92 HA ILE 12 HA ILE 12 -16.423 13.967 -11.821 93 HB ILE 12 HB ILE 12 -18.614 13.942 -9.811 94 1HG1 ILE 12 2HG1 ILE 12 -19.465 11.907 -11.311 95 2HG1 ILE 12 3HG1 ILE 12 -17.736 11.594 -11.423 96 1HG2 ILE 12 1HG2 ILE 12 -18.437 14.085 -12.812 97 2HG2 ILE 12 2HG2 ILE 12 -19.961 13.985 -11.933 98 3HG2 ILE 12 3HG2 ILE 12 -18.893 15.367 -11.691 99 1HD1 ILE 12 1HD1 ILE 12 -17.742 10.661 -9.422 100 2HD1 ILE 12 2HD1 ILE 12 -18.439 12.114 -8.703 101 3HD1 ILE 12 3HD1 ILE 12 -19.493 10.866 -9.368 102 H ASN 13 H ASN 13 -17.060 14.277 -8.321 103 HA ASN 13 HA ASN 13 -15.385 16.468 -7.900 104 1HB ASN 13 2HB ASN 13 -17.738 17.188 -9.293 105 2HB ASN 13 3HB ASN 13 -17.937 17.768 -7.643 106 1HD2 ASN 13 1HD2 ASN 13 -17.223 19.732 -7.304 107 2HD2 ASN 13 2HD2 ASN 13 -15.942 20.517 -8.157 108 H GLY 14 H GLY 14 -15.921 17.624 -5.800 109 1HA GLY 14 2HA GLY 14 -16.720 17.622 -3.618 110 2HA GLY 14 3HA GLY 14 -17.770 16.275 -4.033 111 H LEU 15 H LEU 15 -17.261 14.336 -3.250 112 HA LEU 15 HA LEU 15 -14.884 14.036 -1.659 113 1HB LEU 15 2HB LEU 15 -17.085 12.099 -2.357 114 2HB LEU 15 3HB LEU 15 -15.778 11.761 -1.225 115 HG LEU 15 HG LEU 15 -17.627 12.299 0.110 116 1HD1 LEU 15 1HD1 LEU 15 -16.144 14.906 -0.144 117 2HD1 LEU 15 2HD1 LEU 15 -15.500 13.483 0.674 118 3HD1 LEU 15 3HD1 LEU 15 -16.961 14.264 1.281 119 1HD2 LEU 15 1HD2 LEU 15 -18.880 13.325 -1.866 120 2HD2 LEU 15 2HD2 LEU 15 -18.115 14.845 -1.404 121 3HD2 LEU 15 3HD2 LEU 15 -19.178 14.012 -0.269 122 H ASP 16 H ASP 16 -15.709 13.468 -4.900 123 HA ASP 16 HA ASP 16 -13.883 11.282 -5.341 124 1HB ASP 16 2HB ASP 16 -15.180 13.073 -7.402 125 2HB ASP 16 3HB ASP 16 -14.481 11.478 -7.669 126 H GLU 17 H GLU 17 -13.975 14.710 -6.317 127 HA GLU 17 HA GLU 17 -11.554 14.892 -7.599 128 1HB GLU 17 2HB GLU 17 -11.525 17.286 -6.847 129 2HB GLU 17 3HB GLU 17 -13.029 16.770 -7.598 130 1HG GLU 17 2HG GLU 17 -14.018 16.482 -5.364 131 2HG GLU 17 3HG GLU 17 -12.521 17.075 -4.647 132 H SER 18 H SER 18 -12.185 15.063 -4.123 133 HA SER 18 HA SER 18 -9.555 15.692 -3.329 134 1HB SER 18 2HB SER 18 -11.581 14.129 -1.717 135 2HB SER 18 3HB SER 18 -10.249 15.109 -1.102 136 HG SER 18 HG SER 18 -11.350 16.915 -2.178 137 H LEU 19 H LEU 19 -11.239 12.595 -3.695 138 HA LEU 19 HA LEU 19 -9.138 10.967 -2.758 139 1HB LEU 19 2HB LEU 19 -11.693 10.509 -3.380 140 2HB LEU 19 3HB LEU 19 -10.943 9.925 -4.864 141 HG LEU 19 HG LEU 19 -10.769 8.824 -2.090 142 1HD1 LEU 19 1HD1 LEU 19 -12.429 7.895 -3.576 143 2HD1 LEU 19 2HD1 LEU 19 -11.145 6.716 -3.311 144 3HD1 LEU 19 3HD1 LEU 19 -11.209 7.625 -4.821 145 1HD2 LEU 19 1HD2 LEU 19 -8.893 7.394 -2.860 146 2HD2 LEU 19 2HD2 LEU 19 -8.457 9.095 -2.688 147 3HD2 LEU 19 3HD2 LEU 19 -8.748 8.416 -4.290 148 H VAL 20 H VAL 20 -9.906 12.271 -5.930 149 HA VAL 20 HA VAL 20 -8.035 10.729 -7.398 150 HB VAL 20 HB VAL 20 -9.155 13.456 -8.062 151 1HG1 VAL 20 1HG1 VAL 20 -8.569 12.960 -10.350 152 2HG1 VAL 20 2HG1 VAL 20 -7.130 12.826 -9.338 153 3HG1 VAL 20 3HG1 VAL 20 -7.963 11.371 -9.886 154 1HG2 VAL 20 1HG2 VAL 20 -10.698 11.364 -7.646 155 2HG2 VAL 20 2HG2 VAL 20 -10.995 12.459 -8.997 156 3HG2 VAL 20 3HG2 VAL 20 -10.164 10.928 -9.269 157 H GLN 21 H GLN 21 -7.896 14.067 -6.157 158 HA GLN 21 HA GLN 21 -5.212 14.505 -6.961 159 1HB GLN 21 2HB GLN 21 -5.322 16.508 -5.568 160 2HB GLN 21 3HB GLN 21 -6.776 16.348 -6.545 161 1HG GLN 21 2HG GLN 21 -7.866 15.301 -4.524 162 2HG GLN 21 3HG GLN 21 -6.455 15.826 -3.607 163 1HE2 GLN 21 1HE2 GLN 21 -8.053 17.035 -2.379 164 2HE2 GLN 21 2HE2 GLN 21 -8.554 18.587 -2.950 165 H ALA 22 H ALA 22 -6.673 13.057 -4.166 166 HA ALA 22 HA ALA 22 -4.308 13.200 -2.529 167 1HB ALA 22 1HB ALA 22 -6.287 13.178 -1.294 168 2HB ALA 22 2HB ALA 22 -6.971 11.852 -2.236 169 3HB ALA 22 3HB ALA 22 -5.652 11.543 -1.106 170 H LEU 23 H LEU 23 -6.065 10.561 -4.162 171 HA LEU 23 HA LEU 23 -4.167 8.561 -3.583 172 1HB LEU 23 2HB LEU 23 -5.433 7.167 -4.892 173 2HB LEU 23 3HB LEU 23 -6.612 8.400 -4.449 174 HG LEU 23 HG LEU 23 -5.860 9.460 -6.745 175 1HD1 LEU 23 1HD1 LEU 23 -4.740 6.748 -6.794 176 2HD1 LEU 23 2HD1 LEU 23 -4.312 8.174 -7.738 177 3HD1 LEU 23 3HD1 LEU 23 -5.696 7.187 -8.209 178 1HD2 LEU 23 1HD2 LEU 23 -7.801 7.251 -6.196 179 2HD2 LEU 23 2HD2 LEU 23 -7.626 7.898 -7.828 180 3HD2 LEU 23 3HD2 LEU 23 -8.106 8.960 -6.504 181 H ALA 24 H ALA 24 -4.428 10.901 -6.174 182 HA ALA 24 HA ALA 24 -2.603 9.778 -7.981 183 1HB ALA 24 1HB ALA 24 -4.030 11.564 -8.683 184 2HB ALA 24 2HB ALA 24 -3.339 12.656 -7.481 185 3HB ALA 24 3HB ALA 24 -2.358 12.105 -8.839 186 H GLY 25 H GLY 25 -2.065 12.287 -5.497 187 1HA GLY 25 2HA GLY 25 0.734 12.427 -5.887 188 2HA GLY 25 3HA GLY 25 -0.138 13.012 -4.478 189 H VAL 26 H VAL 26 -1.251 10.586 -3.605 190 HA VAL 26 HA VAL 26 0.856 9.558 -2.056 191 HB VAL 26 HB VAL 26 -1.876 8.399 -2.614 192 1HG1 VAL 26 1HG1 VAL 26 -0.490 6.595 -1.900 193 2HG1 VAL 26 2HG1 VAL 26 0.228 7.576 -0.621 194 3HG1 VAL 26 3HG1 VAL 26 -1.465 7.092 -0.517 195 1HG2 VAL 26 1HG2 VAL 26 -2.586 9.429 -0.626 196 2HG2 VAL 26 2HG2 VAL 26 -0.934 9.767 -0.110 197 3HG2 VAL 26 3HG2 VAL 26 -1.637 10.662 -1.457 198 H THR 27 H THR 27 -0.721 8.343 -4.978 199 HA THR 27 HA THR 27 0.627 5.857 -5.061 200 HB THR 27 HB THR 27 -0.003 5.895 -7.518 201 HG1 THR 27 HG1 THR 27 -1.272 7.597 -8.220 202 1HG2 THR 27 1HG2 THR 27 -1.764 5.910 -5.180 203 2HG2 THR 27 2HG2 THR 27 -1.667 4.764 -6.518 204 3HG2 THR 27 3HG2 THR 27 -2.594 6.253 -6.698 205 H ALA 28 H ALA 28 1.181 8.867 -6.893 206 HA ALA 28 HA ALA 28 3.494 8.026 -8.223 207 1HB ALA 28 1HB ALA 28 2.975 9.949 -9.218 208 2HB ALA 28 2HB ALA 28 2.074 10.522 -7.813 209 3HB ALA 28 3HB ALA 28 3.821 10.751 -7.894 210 H SER 29 H SER 29 3.048 9.495 -5.053 211 HA SER 29 HA SER 29 5.842 9.878 -4.565 212 1HB SER 29 2HB SER 29 4.024 11.204 -3.458 213 2HB SER 29 3HB SER 29 3.598 9.762 -2.537 214 HG SER 29 HG SER 29 6.050 9.892 -2.053 215 H ASP 30 H ASP 30 3.479 7.382 -3.817 216 HA ASP 30 HA ASP 30 5.254 5.883 -2.134 217 1HB ASP 30 2HB ASP 30 2.905 5.653 -1.729 218 2HB ASP 30 3HB ASP 30 2.598 5.221 -3.409 219 H PHE 31 H PHE 31 4.826 6.216 -5.493 220 HA PHE 31 HA PHE 31 6.281 3.704 -5.990 221 1HB PHE 31 2HB PHE 31 4.546 5.315 -7.874 222 2HB PHE 31 3HB PHE 31 5.420 3.849 -8.306 223 HD1 PHE 31 HD1 PHE 31 2.328 4.660 -8.204 224 HD2 PHE 31 HD2 PHE 31 4.912 2.250 -5.830 225 HE1 PHE 31 HE1 PHE 31 0.402 3.306 -7.487 226 HE2 PHE 31 HE2 PHE 31 2.991 0.892 -5.110 227 HZ PHE 31 HZ PHE 31 0.732 1.419 -5.940 228 HA PRO 32 HA PRO 32 9.270 7.154 -6.801 229 1HB PRO 32 2HB PRO 32 11.373 5.916 -5.613 230 2HB PRO 32 3HB PRO 32 10.213 6.908 -4.721 231 1HG PRO 32 2HG PRO 32 10.346 3.929 -4.990 232 2HG PRO 32 3HG PRO 32 10.025 4.909 -3.547 233 1HD PRO 32 2HD PRO 32 8.053 3.702 -4.958 234 2HD PRO 32 3HD PRO 32 7.816 5.246 -4.115 235 H ASP 33 H ASP 33 9.060 3.796 -7.507 236 HA ASP 33 HA ASP 33 11.398 3.385 -8.986 237 1HB ASP 33 2HB ASP 33 9.327 1.808 -8.277 238 2HB ASP 33 3HB ASP 33 8.926 2.080 -9.970 239 H LEU 34 H LEU 34 8.663 5.309 -9.666 240 HA LEU 34 HA LEU 34 8.136 6.667 -11.413 241 1HB LEU 34 2HB LEU 34 10.963 6.257 -11.617 242 2HB LEU 34 3HB LEU 34 10.261 6.331 -13.232 243 HG LEU 34 HG LEU 34 9.134 8.484 -11.867 244 1HD1 LEU 34 1HD1 LEU 34 10.568 8.671 -10.102 245 2HD1 LEU 34 2HD1 LEU 34 11.450 9.609 -11.306 246 3HD1 LEU 34 3HD1 LEU 34 11.917 7.942 -10.973 247 1HD2 LEU 34 1HD2 LEU 34 10.330 9.807 -13.454 248 2HD2 LEU 34 2HD2 LEU 34 9.878 8.297 -14.245 249 3HD2 LEU 34 3HD2 LEU 34 11.534 8.540 -13.687 250 H ASP 35 H ASP 35 7.985 3.556 -11.456 251 HA ASP 35 HA ASP 35 7.711 3.089 -14.318 252 1HB ASP 35 2HB ASP 35 7.179 1.185 -12.028 253 2HB ASP 35 3HB ASP 35 7.342 0.768 -13.732 254 H ILE 36 H ILE 36 5.857 4.530 -12.086 255 HA ILE 36 HA ILE 36 3.329 3.269 -12.493 256 HB ILE 36 HB ILE 36 3.632 4.556 -10.495 257 1HG1 ILE 36 2HG1 ILE 36 1.786 6.169 -12.259 258 2HG1 ILE 36 3HG1 ILE 36 1.383 4.564 -11.662 259 1HG2 ILE 36 1HG2 ILE 36 4.908 6.403 -12.261 260 2HG2 ILE 36 2HG2 ILE 36 3.641 7.237 -11.362 261 3HG2 ILE 36 3HG2 ILE 36 4.910 6.370 -10.498 262 1HD1 ILE 36 1HD1 ILE 36 0.669 5.422 -9.758 263 2HD1 ILE 36 2HD1 ILE 36 2.230 6.195 -9.481 264 3HD1 ILE 36 3HD1 ILE 36 0.981 7.035 -10.399 265 H LYS 37 H LYS 37 2.162 3.330 -14.285 266 HA LYS 37 HA LYS 37 2.451 5.645 -16.084 267 1HB LYS 37 2HB LYS 37 1.356 2.990 -16.956 268 2HB LYS 37 3HB LYS 37 2.093 4.255 -17.931 269 1HG LYS 37 2HG LYS 37 3.513 2.427 -16.005 270 2HG LYS 37 3HG LYS 37 3.570 2.353 -17.768 271 1HD LYS 37 2HD LYS 37 4.560 4.630 -16.052 272 2HD LYS 37 3HD LYS 37 5.567 3.432 -16.869 273 1HE LYS 37 2HE LYS 37 4.255 4.265 -18.991 274 2HE LYS 37 3HE LYS 37 4.006 5.704 -18.004 275 1HZ LYS 37 1HZ LYS 37 6.692 5.002 -17.796 276 2HZ LYS 37 2HZ LYS 37 6.030 6.361 -18.555 277 3HZ LYS 37 3HZ LYS 37 6.298 4.944 -19.441 278 H TYR 38 H TYR 38 0.844 6.635 -14.575 279 HA TYR 38 HA TYR 38 -1.890 5.842 -15.339 280 1HB TYR 38 2HB TYR 38 -2.677 6.196 -13.203 281 2HB TYR 38 3HB TYR 38 -1.056 5.610 -12.845 282 HD1 TYR 38 HD1 TYR 38 0.740 7.710 -12.986 283 HD2 TYR 38 HD2 TYR 38 -3.356 7.930 -11.858 284 HE1 TYR 38 HE1 TYR 38 1.206 9.765 -11.716 285 HE2 TYR 38 HE2 TYR 38 -2.902 9.986 -10.587 286 HH TYR 38 HH TYR 38 -0.582 11.904 -10.957 287 H ASN 39 H ASN 39 -3.463 7.738 -15.011 288 HA ASN 39 HA ASN 39 -2.554 10.398 -15.162 289 1HB ASN 39 2HB ASN 39 -2.587 8.896 -17.673 290 2HB ASN 39 3HB ASN 39 -3.551 10.368 -17.737 291 1HD2 ASN 39 1HD2 ASN 39 -0.951 9.566 -18.968 292 2HD2 ASN 39 2HD2 ASN 39 0.142 10.837 -18.552 293 H ILE 40 H ILE 40 -4.347 11.891 -15.956 294 HA ILE 40 HA ILE 40 -6.986 10.680 -15.470 295 HB ILE 40 HB ILE 40 -7.090 13.359 -14.586 296 1HG1 ILE 40 2HG1 ILE 40 -4.767 11.818 -13.409 297 2HG1 ILE 40 3HG1 ILE 40 -4.669 13.324 -14.314 298 1HG2 ILE 40 1HG2 ILE 40 -8.387 12.342 -13.100 299 2HG2 ILE 40 2HG2 ILE 40 -7.886 10.793 -13.775 300 3HG2 ILE 40 3HG2 ILE 40 -7.003 11.489 -12.417 301 1HD1 ILE 40 1HD1 ILE 40 -4.613 14.259 -12.286 302 2HD1 ILE 40 2HD1 ILE 40 -6.361 14.023 -12.319 303 3HD1 ILE 40 3HD1 ILE 40 -5.327 12.849 -11.504 304 H PHE 41 H PHE 41 -8.472 11.145 -16.957 305 HA PHE 41 HA PHE 41 -8.110 13.541 -18.621 306 1HB PHE 41 2HB PHE 41 -9.146 11.982 -20.479 307 2HB PHE 41 3HB PHE 41 -7.413 11.982 -20.171 308 HD1 PHE 41 HD1 PHE 41 -10.494 10.257 -18.964 309 HD2 PHE 41 HD2 PHE 41 -6.372 9.951 -19.978 310 HE1 PHE 41 HE1 PHE 41 -10.574 7.834 -18.544 311 HE2 PHE 41 HE2 PHE 41 -6.445 7.527 -19.560 312 HZ PHE 41 HZ PHE 41 -8.549 6.466 -18.843 313 H LEU 42 H LEU 42 -10.016 14.468 -19.446 314 HA LEU 42 HA LEU 42 -12.423 13.709 -17.950 315 1HB LEU 42 2HB LEU 42 -11.784 15.968 -17.568 316 2HB LEU 42 3HB LEU 42 -11.587 16.268 -19.294 317 HG LEU 42 HG LEU 42 -13.656 17.217 -18.058 318 1HD1 LEU 42 1HD1 LEU 42 -14.583 15.777 -20.445 319 2HD1 LEU 42 2HD1 LEU 42 -13.102 16.710 -20.653 320 3HD1 LEU 42 3HD1 LEU 42 -14.572 17.504 -20.089 321 1HD2 LEU 42 1HD2 LEU 42 -14.958 14.643 -18.754 322 2HD2 LEU 42 2HD2 LEU 42 -15.401 15.848 -17.544 323 3HD2 LEU 42 3HD2 LEU 42 -14.071 14.731 -17.232 324 H VAL 43 H VAL 43 -13.843 12.506 -19.009 325 HA VAL 43 HA VAL 43 -13.998 12.703 -21.932 326 HB VAL 43 HB VAL 43 -14.711 10.537 -22.022 327 1HG1 VAL 43 1HG1 VAL 43 -13.200 9.303 -20.859 328 2HG1 VAL 43 2HG1 VAL 43 -12.557 10.905 -20.492 329 3HG1 VAL 43 3HG1 VAL 43 -13.585 10.076 -19.322 330 1HG2 VAL 43 1HG2 VAL 43 -15.869 9.406 -20.071 331 2HG2 VAL 43 2HG2 VAL 43 -15.956 11.001 -19.322 332 3HG2 VAL 43 3HG2 VAL 43 -16.762 10.705 -20.863 333 H ASP 44 H ASP 44 -15.864 13.221 -22.994 334 HA ASP 44 HA ASP 44 -18.223 13.867 -21.363 335 1HB ASP 44 2HB ASP 44 -17.118 15.974 -21.798 336 2HB ASP 44 3HB ASP 44 -16.986 15.596 -23.513 337 H LEU 45 H LEU 45 -19.616 12.334 -22.005 338 HA LEU 45 HA LEU 45 -20.152 12.118 -24.891 339 1HB LEU 45 2HB LEU 45 -19.085 10.102 -24.467 340 2HB LEU 45 3HB LEU 45 -19.789 9.956 -22.858 341 HG LEU 45 HG LEU 45 -21.655 9.822 -25.155 342 1HD1 LEU 45 1HD1 LEU 45 -19.397 8.385 -25.452 343 2HD1 LEU 45 2HD1 LEU 45 -20.980 7.857 -26.023 344 3HD1 LEU 45 3HD1 LEU 45 -20.356 7.266 -24.483 345 1HD2 LEU 45 1HD2 LEU 45 -22.254 9.637 -22.704 346 2HD2 LEU 45 2HD2 LEU 45 -21.428 8.078 -22.714 347 3HD2 LEU 45 3HD2 LEU 45 -22.835 8.338 -23.746 348 H TYR 46 H TYR 46 -22.306 11.765 -25.488 349 HA TYR 46 HA TYR 46 -24.556 12.072 -25.363 350 1HB TYR 46 2HB TYR 46 -23.942 10.623 -22.815 351 2HB TYR 46 3HB TYR 46 -25.573 11.224 -23.095 352 HD1 TYR 46 HD1 TYR 46 -26.525 8.990 -23.112 353 HD2 TYR 46 HD2 TYR 46 -23.480 10.083 -25.875 354 HE1 TYR 46 HE1 TYR 46 -27.032 6.991 -24.453 355 HE2 TYR 46 HE2 TYR 46 -23.980 8.089 -27.225 356 HH TYR 46 HH TYR 46 -25.215 6.259 -27.419 357 H GLY 47 H GLY 47 -22.707 14.193 -24.417 358 1HA GLY 47 2HA GLY 47 -23.146 16.400 -23.818 359 2HA GLY 47 3HA GLY 47 -24.740 15.906 -23.266 360 H GLN 48 H GLN 48 -23.014 13.706 -21.788 361 HA GLN 48 HA GLN 48 -22.720 15.330 -19.369 362 1HB GLN 48 2HB GLN 48 -23.298 13.500 -18.160 363 2HB GLN 48 3HB GLN 48 -24.007 12.990 -19.686 364 1HG GLN 48 2HG GLN 48 -21.819 11.827 -20.167 365 2HG GLN 48 3HG GLN 48 -21.391 12.140 -18.486 366 1HE2 GLN 48 1HE2 GLN 48 -24.022 10.782 -20.435 367 2HE2 GLN 48 2HE2 GLN 48 -24.394 9.493 -19.347 368 H LYS 49 H LYS 49 -20.810 15.669 -18.392 369 HA LYS 49 HA LYS 49 -18.441 14.370 -19.570 370 1HB LYS 49 2HB LYS 49 -17.217 16.432 -18.725 371 2HB LYS 49 3HB LYS 49 -18.304 16.673 -20.087 372 1HG LYS 49 2HG LYS 49 -19.658 17.061 -17.562 373 2HG LYS 49 3HG LYS 49 -18.251 18.115 -17.724 374 1HD LYS 49 2HD LYS 49 -19.711 19.445 -18.819 375 2HD LYS 49 3HD LYS 49 -19.337 18.383 -20.179 376 1HE LYS 49 2HE LYS 49 -21.302 17.104 -19.833 377 2HE LYS 49 3HE LYS 49 -21.593 17.847 -18.261 378 1HZ LYS 49 1HZ LYS 49 -21.855 19.995 -19.507 379 2HZ LYS 49 2HZ LYS 49 -23.076 18.854 -19.763 380 3HZ LYS 49 3HZ LYS 49 -21.880 19.088 -20.935 381 H TYR 50 H TYR 50 -17.150 13.226 -18.268 382 HA TYR 50 HA TYR 50 -17.294 13.654 -15.372 383 1HB TYR 50 2HB TYR 50 -17.822 11.084 -16.835 384 2HB TYR 50 3HB TYR 50 -17.181 11.065 -15.196 385 HD1 TYR 50 HD1 TYR 50 -18.669 11.036 -13.424 386 HD2 TYR 50 HD2 TYR 50 -19.968 12.576 -17.172 387 HE1 TYR 50 HE1 TYR 50 -20.945 11.284 -12.527 388 HE2 TYR 50 HE2 TYR 50 -22.247 12.829 -16.285 389 HH TYR 50 HH TYR 50 -23.118 11.638 -13.090 390 H PHE 51 H PHE 51 -15.466 12.832 -14.201 391 HA PHE 51 HA PHE 51 -13.047 12.793 -15.852 392 1HB PHE 51 2HB PHE 51 -13.515 13.345 -12.922 393 2HB PHE 51 3HB PHE 51 -11.903 13.139 -13.602 394 HD1 PHE 51 HD1 PHE 51 -15.016 15.123 -14.100 395 HD2 PHE 51 HD2 PHE 51 -10.771 14.985 -14.385 396 HE1 PHE 51 HE1 PHE 51 -14.984 17.501 -14.729 397 HE2 PHE 51 HE2 PHE 51 -10.733 17.364 -15.014 398 HZ PHE 51 HZ PHE 51 -12.841 18.625 -15.186 399 H ARG 52 H ARG 52 -11.795 11.041 -16.050 400 HA ARG 52 HA ARG 52 -12.218 8.792 -14.205 401 1HB ARG 52 2HB ARG 52 -11.815 8.435 -17.173 402 2HB ARG 52 3HB ARG 52 -12.252 7.209 -15.990 403 1HG ARG 52 2HG ARG 52 -14.067 9.534 -16.394 404 2HG ARG 52 3HG ARG 52 -14.047 8.235 -17.588 405 1HD ARG 52 2HD ARG 52 -14.558 6.607 -15.865 406 2HD ARG 52 3HD ARG 52 -14.487 7.861 -14.628 407 HE ARG 52 HE ARG 52 -16.388 8.805 -16.261 408 1HH1 ARG 52 2HH1 ARG 52 -15.893 5.660 -14.853 409 2HH1 ARG 52 1HH1 ARG 52 -17.582 5.280 -14.787 410 1HH2 ARG 52 2HH2 ARG 52 -18.614 8.316 -16.181 411 2HH2 ARG 52 1HH2 ARG 52 -19.129 6.791 -15.544 412 H ILE 53 H ILE 53 -10.408 7.734 -13.569 413 HA ILE 53 HA ILE 53 -7.857 8.712 -14.668 414 HB ILE 53 HB ILE 53 -6.901 8.659 -12.604 415 1HG1 ILE 53 2HG1 ILE 53 -8.007 7.154 -10.741 416 2HG1 ILE 53 3HG1 ILE 53 -8.707 6.320 -12.124 417 1HG2 ILE 53 1HG2 ILE 53 -8.231 9.860 -11.206 418 2HG2 ILE 53 2HG2 ILE 53 -9.240 9.918 -12.650 419 3HG2 ILE 53 3HG2 ILE 53 -9.595 8.756 -11.372 420 1HD1 ILE 53 1HD1 ILE 53 -6.039 6.183 -11.041 421 2HD1 ILE 53 2HD1 ILE 53 -6.847 5.123 -12.197 422 3HD1 ILE 53 3HD1 ILE 53 -6.022 6.577 -12.760 423 H LEU 54 H LEU 54 -6.423 7.309 -15.503 424 HA LEU 54 HA LEU 54 -7.030 4.435 -15.267 425 1HB LEU 54 2HB LEU 54 -7.231 5.824 -17.546 426 2HB LEU 54 3HB LEU 54 -5.518 5.415 -17.615 427 HG LEU 54 HG LEU 54 -7.888 3.569 -17.660 428 1HD1 LEU 54 1HD1 LEU 54 -5.603 4.205 -19.492 429 2HD1 LEU 54 2HD1 LEU 54 -7.334 4.238 -19.823 430 3HD1 LEU 54 3HD1 LEU 54 -6.504 2.695 -19.631 431 1HD2 LEU 54 1HD2 LEU 54 -5.087 3.026 -16.799 432 2HD2 LEU 54 2HD2 LEU 54 -5.941 1.808 -17.747 433 3HD2 LEU 54 3HD2 LEU 54 -6.603 2.349 -16.204 434 H PHE 55 H PHE 55 -5.512 3.310 -14.262 435 HA PHE 55 HA PHE 55 -2.745 4.322 -14.312 436 1HB PHE 55 2HB PHE 55 -3.444 4.522 -12.073 437 2HB PHE 55 3HB PHE 55 -4.318 2.994 -12.118 438 HD1 PHE 55 HD1 PHE 55 -3.357 1.810 -10.354 439 HD2 PHE 55 HD2 PHE 55 -0.854 3.662 -13.256 440 HE1 PHE 55 HE1 PHE 55 -1.402 0.665 -9.394 441 HE2 PHE 55 HE2 PHE 55 1.104 2.519 -12.302 442 HZ PHE 55 HZ PHE 55 0.832 1.018 -10.369 443 H GLN 56 H GLN 56 -1.277 3.044 -15.219 444 HA GLN 56 HA GLN 56 -1.789 0.154 -15.345 445 1HB GLN 56 2HB GLN 56 -2.388 0.901 -17.519 446 2HB GLN 56 3HB GLN 56 -0.998 1.975 -17.613 447 1HG GLN 56 2HG GLN 56 0.502 0.141 -17.835 448 2HG GLN 56 3HG GLN 56 -0.777 -1.019 -17.480 449 1HE2 GLN 56 1HE2 GLN 56 0.496 -1.605 -19.646 450 2HE2 GLN 56 2HE2 GLN 56 -0.358 -1.155 -21.079 451 H SER 57 H SER 57 0.076 -1.168 -15.471 452 HA SER 57 HA SER 57 2.526 0.192 -14.565 453 1HB SER 57 2HB SER 57 1.236 -2.386 -13.809 454 2HB SER 57 3HB SER 57 2.999 -2.323 -13.802 455 HG SER 57 HG SER 57 2.925 -0.687 -12.306 456 H LYS 58 H LYS 58 4.553 -1.161 -15.050 457 HA LYS 58 HA LYS 58 4.520 -1.755 -17.912 458 1HB LYS 58 2HB LYS 58 6.595 -0.902 -15.954 459 2HB LYS 58 3HB LYS 58 7.121 -1.857 -17.334 460 1HG LYS 58 2HG LYS 58 5.352 0.431 -17.921 461 2HG LYS 58 3HG LYS 58 6.982 0.810 -17.359 462 1HD LYS 58 2HD LYS 58 7.153 0.711 -19.701 463 2HD LYS 58 3HD LYS 58 7.796 -0.832 -19.132 464 1HE LYS 58 2HE LYS 58 5.728 -1.943 -19.658 465 2HE LYS 58 3HE LYS 58 4.960 -0.410 -20.065 466 1HZ LYS 58 1HZ LYS 58 7.146 -1.770 -21.535 467 2HZ LYS 58 2HZ LYS 58 6.657 -0.184 -21.857 468 3HZ LYS 58 3HZ LYS 58 5.574 -1.464 -22.080 469 H LYS 59 H LYS 59 5.399 -3.210 -14.819 470 HA LYS 59 HA LYS 59 6.328 -5.656 -16.006 471 1HB LYS 59 2HB LYS 59 6.445 -4.438 -13.454 472 2HB LYS 59 3HB LYS 59 5.618 -5.976 -13.243 473 1HG LYS 59 2HG LYS 59 7.528 -7.085 -13.388 474 2HG LYS 59 3HG LYS 59 7.911 -6.321 -14.932 475 1HD LYS 59 2HD LYS 59 8.380 -5.038 -12.244 476 2HD LYS 59 3HD LYS 59 9.609 -5.930 -13.144 477 1HE LYS 59 2HE LYS 59 8.124 -3.630 -14.372 478 2HE LYS 59 3HE LYS 59 9.552 -3.372 -13.372 479 1HZ LYS 59 1HZ LYS 59 10.194 -3.479 -15.662 480 2HZ LYS 59 2HZ LYS 59 9.409 -4.961 -15.875 481 3HZ LYS 59 3HZ LYS 59 10.775 -4.863 -14.882 482 H LEU 60 H LEU 60 3.317 -4.378 -15.684 483 HA LEU 60 HA LEU 60 1.629 -6.239 -14.638 484 1HB LEU 60 2HB LEU 60 0.841 -4.160 -15.578 485 2HB LEU 60 3HB LEU 60 1.292 -4.686 -17.199 486 HG LEU 60 HG LEU 60 -1.197 -4.743 -16.474 487 1HD1 LEU 60 1HD1 LEU 60 -0.313 -7.332 -17.639 488 2HD1 LEU 60 2HD1 LEU 60 0.087 -5.841 -18.489 489 3HD1 LEU 60 3HD1 LEU 60 -1.597 -6.239 -18.153 490 1HD2 LEU 60 1HD2 LEU 60 -0.321 -7.404 -15.373 491 2HD2 LEU 60 2HD2 LEU 60 -1.940 -6.704 -15.359 492 3HD2 LEU 60 3HD2 LEU 60 -0.665 -6.000 -14.363 493 H SER 61 H SER 61 1.753 -8.378 -14.845 494 HA SER 61 HA SER 61 2.224 -9.509 -17.521 495 1HB SER 61 2HB SER 61 2.805 -10.560 -14.757 496 2HB SER 61 3HB SER 61 2.763 -11.626 -16.161 497 HG SER 61 HG SER 61 4.588 -9.626 -15.490 498 H GLU 62 H GLU 62 0.950 -11.248 -18.246 499 HA GLU 62 HA GLU 62 -1.792 -11.090 -17.502 500 1HB GLU 62 2HB GLU 62 -0.803 -11.656 -19.802 501 2HB GLU 62 3HB GLU 62 -0.578 -13.281 -19.171 502 1HG GLU 62 2HG GLU 62 -3.045 -13.281 -18.640 503 2HG GLU 62 3HG GLU 62 -3.155 -11.801 -19.590 504 H LEU 63 H LEU 63 0.845 -13.218 -16.680 505 HA LEU 63 HA LEU 63 -0.774 -15.292 -15.562 506 1HB LEU 63 2HB LEU 63 2.133 -14.616 -15.544 507 2HB LEU 63 3HB LEU 63 1.518 -15.817 -14.411 508 HG LEU 63 HG LEU 63 2.460 -16.878 -16.386 509 1HD1 LEU 63 1HD1 LEU 63 -0.109 -17.313 -15.327 510 2HD1 LEU 63 2HD1 LEU 63 0.939 -18.471 -16.147 511 3HD1 LEU 63 3HD1 LEU 63 -0.237 -17.537 -17.072 512 1HD2 LEU 63 1HD2 LEU 63 1.644 -16.529 -18.579 513 2HD2 LEU 63 2HD2 LEU 63 1.949 -14.928 -17.905 514 3HD2 LEU 63 3HD2 LEU 63 0.299 -15.545 -18.001 515 H HIS 64 H HIS 64 -0.292 -15.938 -13.180 516 HA HIS 64 HA HIS 64 -0.608 -15.518 -10.966 517 1HB HIS 64 2HB HIS 64 0.472 -12.747 -11.483 518 2HB HIS 64 3HB HIS 64 0.502 -13.652 -9.972 519 HD1 HIS 64 HD1 HIS 64 2.000 -15.985 -10.189 520 HD2 HIS 64 HD2 HIS 64 2.801 -12.888 -12.841 521 HE1 HIS 64 HE1 HIS 64 4.306 -16.444 -11.083 522 HA PRO 65 HA PRO 65 -4.520 -13.262 -12.041 523 1HB PRO 65 2HB PRO 65 -6.171 -15.224 -11.149 524 2HB PRO 65 3HB PRO 65 -5.513 -15.194 -12.789 525 1HG PRO 65 2HG PRO 65 -4.586 -16.749 -10.404 526 2HG PRO 65 3HG PRO 65 -4.759 -17.279 -12.088 527 1HD PRO 65 2HD PRO 65 -2.369 -16.596 -11.013 528 2HD PRO 65 3HD PRO 65 -2.758 -16.328 -12.725 529 H GLU 66 H GLU 66 -3.090 -14.629 -9.232 530 HA GLU 66 HA GLU 66 -5.067 -13.799 -7.346 531 1HB GLU 66 2HB GLU 66 -2.671 -15.308 -7.296 532 2HB GLU 66 3HB GLU 66 -2.466 -13.986 -6.155 533 1HG GLU 66 2HG GLU 66 -4.794 -14.689 -5.284 534 2HG GLU 66 3HG GLU 66 -4.473 -16.198 -6.138 535 H GLU 67 H GLU 67 -2.324 -12.299 -8.867 536 HA GLU 67 HA GLU 67 -1.966 -10.175 -7.026 537 1HB GLU 67 2HB GLU 67 -1.281 -10.357 -9.964 538 2HB GLU 67 3HB GLU 67 -0.739 -9.076 -8.889 539 1HG GLU 67 2HG GLU 67 -0.164 -11.906 -8.169 540 2HG GLU 67 3HG GLU 67 0.793 -11.124 -9.426 541 H ARG 68 H ARG 68 -4.094 -10.673 -9.754 542 HA ARG 68 HA ARG 68 -4.890 -8.024 -10.202 543 1HB ARG 68 2HB ARG 68 -6.738 -10.381 -10.493 544 2HB ARG 68 3HB ARG 68 -6.685 -8.908 -11.452 545 1HG ARG 68 2HG ARG 68 -4.201 -9.921 -11.888 546 2HG ARG 68 3HG ARG 68 -5.163 -11.391 -11.726 547 1HD ARG 68 2HD ARG 68 -5.420 -9.172 -13.720 548 2HD ARG 68 3HD ARG 68 -5.284 -10.907 -14.000 549 HE ARG 68 HE ARG 68 -7.633 -10.666 -12.674 550 1HH1 ARG 68 2HH1 ARG 68 -6.306 -9.147 -15.511 551 2HH1 ARG 68 1HH1 ARG 68 -7.848 -8.917 -16.268 552 1HH2 ARG 68 2HH2 ARG 68 -9.669 -10.369 -13.660 553 2HH2 ARG 68 1HH2 ARG 68 -9.759 -9.611 -15.214 554 H LYS 69 H LYS 69 -6.396 -10.542 -8.182 555 HA LYS 69 HA LYS 69 -8.422 -8.855 -7.148 556 1HB LYS 69 2HB LYS 69 -8.673 -10.656 -5.417 557 2HB LYS 69 3HB LYS 69 -8.763 -11.220 -7.081 558 1HG LYS 69 2HG LYS 69 -6.522 -12.074 -6.972 559 2HG LYS 69 3HG LYS 69 -6.291 -11.372 -5.369 560 1HD LYS 69 2HD LYS 69 -8.484 -13.349 -5.909 561 2HD LYS 69 3HD LYS 69 -6.843 -13.879 -5.531 562 1HE LYS 69 2HE LYS 69 -8.253 -11.900 -3.780 563 2HE LYS 69 3HE LYS 69 -8.566 -13.627 -3.613 564 1HZ LYS 69 1HZ LYS 69 -6.665 -13.897 -2.532 565 2HZ LYS 69 2HZ LYS 69 -6.506 -12.214 -2.474 566 3HZ LYS 69 3HZ LYS 69 -5.776 -13.089 -3.723 567 H LYS 70 H LYS 70 -5.174 -9.672 -6.079 568 HA LYS 70 HA LYS 70 -5.270 -8.644 -3.487 569 1HB LYS 70 2HB LYS 70 -3.404 -9.992 -4.378 570 2HB LYS 70 3HB LYS 70 -2.926 -8.640 -5.397 571 1HG LYS 70 2HG LYS 70 -2.043 -7.460 -3.662 572 2HG LYS 70 3HG LYS 70 -3.144 -8.165 -2.476 573 1HD LYS 70 2HD LYS 70 -1.044 -9.836 -3.814 574 2HD LYS 70 3HD LYS 70 -0.651 -8.838 -2.412 575 1HE LYS 70 2HE LYS 70 -2.750 -10.004 -1.373 576 2HE LYS 70 3HE LYS 70 -2.441 -11.220 -2.613 577 1HZ LYS 70 1HZ LYS 70 -1.340 -11.786 -0.548 578 2HZ LYS 70 2HZ LYS 70 -0.506 -10.314 -0.549 579 3HZ LYS 70 3HZ LYS 70 -0.191 -11.465 -1.748 580 H VAL 71 H VAL 71 -4.195 -7.030 -6.479 581 HA VAL 71 HA VAL 71 -3.811 -4.498 -5.279 582 HB VAL 71 HB VAL 71 -3.739 -3.609 -7.560 583 1HG1 VAL 71 1HG1 VAL 71 -1.746 -4.605 -8.148 584 2HG1 VAL 71 2HG1 VAL 71 -1.882 -5.071 -6.451 585 3HG1 VAL 71 3HG1 VAL 71 -2.305 -6.222 -7.720 586 1HG2 VAL 71 1HG2 VAL 71 -5.566 -4.905 -8.522 587 2HG2 VAL 71 2HG2 VAL 71 -4.099 -5.082 -9.484 588 3HG2 VAL 71 3HG2 VAL 71 -4.602 -6.377 -8.397 589 H ARG 72 H ARG 72 -6.574 -6.047 -6.791 590 HA ARG 72 HA ARG 72 -8.219 -3.828 -7.163 591 1HB ARG 72 2HB ARG 72 -8.478 -6.652 -7.294 592 2HB ARG 72 3HB ARG 72 -9.803 -6.050 -6.308 593 1HG ARG 72 2HG ARG 72 -10.604 -6.106 -8.518 594 2HG ARG 72 3HG ARG 72 -10.276 -4.408 -8.165 595 1HD ARG 72 2HD ARG 72 -8.560 -4.293 -9.641 596 2HD ARG 72 3HD ARG 72 -8.057 -5.957 -9.348 597 HE ARG 72 HE ARG 72 -9.339 -6.606 -11.121 598 1HH1 ARG 72 2HH1 ARG 72 -10.380 -3.451 -10.081 599 2HH1 ARG 72 1HH1 ARG 72 -11.479 -3.235 -11.402 600 1HH2 ARG 72 2HH2 ARG 72 -10.784 -6.334 -12.865 601 2HH2 ARG 72 1HH2 ARG 72 -11.709 -4.876 -12.985 602 H GLU 73 H GLU 73 -7.983 -5.999 -4.351 603 HA GLU 73 HA GLU 73 -9.841 -4.502 -2.789 604 1HB GLU 73 2HB GLU 73 -9.108 -5.933 -0.930 605 2HB GLU 73 3HB GLU 73 -9.476 -6.874 -2.368 606 1HG GLU 73 2HG GLU 73 -7.108 -7.070 -2.870 607 2HG GLU 73 3HG GLU 73 -6.717 -6.085 -1.462 608 H LYS 74 H LYS 74 -6.341 -4.551 -3.110 609 HA LYS 74 HA LYS 74 -5.680 -3.000 -0.873 610 1HB LYS 74 2HB LYS 74 -4.237 -4.274 -2.750 611 2HB LYS 74 3HB LYS 74 -4.083 -2.627 -3.347 612 1HG LYS 74 2HG LYS 74 -3.293 -3.643 -0.626 613 2HG LYS 74 3HG LYS 74 -2.216 -3.139 -1.931 614 1HD LYS 74 2HD LYS 74 -4.193 -1.351 -0.516 615 2HD LYS 74 3HD LYS 74 -2.461 -1.413 -0.186 616 1HE LYS 74 2HE LYS 74 -3.669 -0.730 -2.863 617 2HE LYS 74 3HE LYS 74 -3.139 0.461 -1.675 618 1HZ LYS 74 1HZ LYS 74 -1.530 -1.357 -3.327 619 2HZ LYS 74 2HZ LYS 74 -0.925 -0.869 -1.825 620 3HZ LYS 74 3HZ LYS 74 -1.299 0.287 -3.002 621 H PHE 75 H PHE 75 -6.186 -1.990 -4.253 622 HA PHE 75 HA PHE 75 -5.957 0.785 -3.680 623 1HB PHE 75 2HB PHE 75 -5.996 1.008 -5.916 624 2HB PHE 75 3HB PHE 75 -6.011 -0.752 -5.975 625 HD1 PHE 75 HD1 PHE 75 -8.016 -1.962 -6.521 626 HD2 PHE 75 HD2 PHE 75 -8.028 2.287 -6.272 627 HE1 PHE 75 HE1 PHE 75 -10.199 -1.905 -7.654 628 HE2 PHE 75 HE2 PHE 75 -10.212 2.351 -7.404 629 HZ PHE 75 HZ PHE 75 -11.301 0.253 -8.096 630 H ASP 76 H ASP 76 -8.651 -1.461 -3.895 631 HA ASP 76 HA ASP 76 -10.756 0.385 -3.910 632 1HB ASP 76 2HB ASP 76 -11.233 -1.904 -4.399 633 2HB ASP 76 3HB ASP 76 -10.580 -2.437 -2.852 634 H GLU 77 H GLU 77 -9.191 -1.264 -1.171 635 HA GLU 77 HA GLU 77 -10.729 0.054 0.815 636 1HB GLU 77 2HB GLU 77 -8.078 -1.386 0.953 637 2HB GLU 77 3HB GLU 77 -8.918 -0.763 2.366 638 1HG GLU 77 2HG GLU 77 -10.234 -2.674 0.471 639 2HG GLU 77 3HG GLU 77 -9.207 -3.230 1.791 640 H ASN 78 H ASN 78 -7.424 0.575 -0.394 641 HA ASN 78 HA ASN 78 -6.655 2.665 1.227 642 1HB ASN 78 2HB ASN 78 -5.196 1.533 -0.437 643 2HB ASN 78 3HB ASN 78 -6.035 2.395 -1.723 644 1HD2 ASN 78 1HD2 ASN 78 -4.954 4.064 -2.447 645 2HD2 ASN 78 2HD2 ASN 78 -3.917 5.092 -1.524 646 H SER 79 H SER 79 -8.681 2.745 -1.656 647 HA SER 79 HA SER 79 -8.847 5.607 -1.732 648 1HB SER 79 2HB SER 79 -9.867 3.355 -3.308 649 2HB SER 79 3HB SER 79 -11.004 4.698 -3.186 650 HG SER 79 HG SER 79 -8.661 4.518 -4.571 651 H ARG 80 H ARG 80 -10.861 2.987 -0.498 652 HA ARG 80 HA ARG 80 -13.040 4.681 0.243 653 1HB ARG 80 2HB ARG 80 -14.103 2.769 0.899 654 2HB ARG 80 3HB ARG 80 -12.883 2.053 -0.145 655 1HG ARG 80 2HG ARG 80 -12.572 0.721 1.645 656 2HG ARG 80 3HG ARG 80 -11.530 2.048 2.161 657 1HD ARG 80 2HD ARG 80 -12.895 2.618 3.848 658 2HD ARG 80 3HD ARG 80 -14.346 2.397 2.871 659 HE ARG 80 HE ARG 80 -13.497 -0.137 3.359 660 1HH1 ARG 80 2HH1 ARG 80 -14.226 2.610 5.369 661 2HH1 ARG 80 1HH1 ARG 80 -14.739 1.651 6.718 662 1HH2 ARG 80 2HH2 ARG 80 -14.170 -1.410 5.128 663 2HH2 ARG 80 1HH2 ARG 80 -14.706 -0.635 6.580 664 H MET 81 H MET 81 -9.979 4.247 1.514 665 HA MET 81 HA MET 81 -10.125 4.121 4.212 666 1HB MET 81 2HB MET 81 -8.448 5.949 2.498 667 2HB MET 81 3HB MET 81 -8.231 5.828 4.239 668 1HG MET 81 2HG MET 81 -8.019 3.522 2.318 669 2HG MET 81 3HG MET 81 -6.654 4.441 2.948 670 1HE MET 81 1HE MET 81 -7.778 4.906 6.051 671 2HE MET 81 2HE MET 81 -6.796 3.625 6.762 672 3HE MET 81 3HE MET 81 -6.122 4.656 5.499 673 H GLN 82 H GLN 82 -10.348 5.622 5.933 674 HA GLN 82 HA GLN 82 -12.567 7.314 5.747 675 1HB GLN 82 2HB GLN 82 -10.384 7.035 7.799 676 2HB GLN 82 3HB GLN 82 -11.675 8.215 7.986 677 1HG GLN 82 2HG GLN 82 -13.326 6.534 8.109 678 2HG GLN 82 3HG GLN 82 -12.202 5.291 7.563 679 1HE2 GLN 82 1HE2 GLN 82 -13.578 4.754 9.767 680 2HE2 GLN 82 2HE2 GLN 82 -12.586 4.870 11.177 681 H TYR 83 H TYR 83 -12.448 9.687 6.505 682 HA TYR 83 HA TYR 83 -11.122 11.165 4.494 683 1HB TYR 83 2HB TYR 83 -13.131 11.648 6.411 684 2HB TYR 83 3HB TYR 83 -11.865 12.830 6.723 685 HD1 TYR 83 HD1 TYR 83 -14.545 11.832 4.513 686 HD2 TYR 83 HD2 TYR 83 -11.161 14.383 4.894 687 HE1 TYR 83 HE1 TYR 83 -15.375 13.202 2.647 688 HE2 TYR 83 HE2 TYR 83 -11.982 15.761 3.030 689 HH TYR 83 HH TYR 83 -14.965 15.823 1.964 690 H SER 84 H SER 84 -10.364 10.460 7.847 691 HA SER 84 HA SER 84 -8.384 12.333 8.341 692 1HB SER 84 2HB SER 84 -8.159 9.483 9.291 693 2HB SER 84 3HB SER 84 -7.683 10.961 10.127 694 HG SER 84 HG SER 84 -9.712 9.928 10.817 695 H GLU 85 H GLU 85 -7.988 9.052 7.009 696 HA GLU 85 HA GLU 85 -5.205 9.375 6.501 697 1HB GLU 85 2HB GLU 85 -6.319 7.173 6.830 698 2HB GLU 85 3HB GLU 85 -7.119 7.381 5.279 699 1HG GLU 85 2HG GLU 85 -5.394 6.277 4.421 700 2HG GLU 85 3HG GLU 85 -4.484 7.770 4.644 701 H LEU 86 H LEU 86 -8.126 9.797 4.589 702 HA LEU 86 HA LEU 86 -6.924 10.058 2.064 703 1HB LEU 86 2HB LEU 86 -9.482 10.075 3.030 704 2HB LEU 86 3HB LEU 86 -9.268 11.750 2.525 705 HG LEU 86 HG LEU 86 -10.314 10.450 0.765 706 1HD1 LEU 86 1HD1 LEU 86 -8.171 12.127 0.478 707 2HD1 LEU 86 2HD1 LEU 86 -9.200 11.546 -0.830 708 3HD1 LEU 86 3HD1 LEU 86 -7.683 10.721 -0.469 709 1HD2 LEU 86 1HD2 LEU 86 -8.281 8.520 1.505 710 2HD2 LEU 86 2HD2 LEU 86 -8.322 8.807 -0.235 711 3HD2 LEU 86 3HD2 LEU 86 -9.783 8.292 0.610 712 H MET 87 H MET 87 -7.598 12.422 4.602 713 HA MET 87 HA MET 87 -6.572 14.612 3.015 714 1HB MET 87 2HB MET 87 -8.116 14.314 5.436 715 2HB MET 87 3HB MET 87 -6.781 15.429 5.694 716 1HG MET 87 2HG MET 87 -8.843 16.555 4.986 717 2HG MET 87 3HG MET 87 -7.508 16.803 3.863 718 1HE MET 87 1HE MET 87 -7.491 16.642 1.786 719 2HE MET 87 2HE MET 87 -7.714 15.023 1.123 720 3HE MET 87 3HE MET 87 -8.852 16.308 0.715 721 H THR 88 H THR 88 -5.463 12.483 5.556 722 HA THR 88 HA THR 88 -3.147 13.967 6.269 723 HB THR 88 HB THR 88 -3.863 11.058 6.639 724 HG1 THR 88 HG1 THR 88 -4.694 11.771 8.453 725 1HG2 THR 88 1HG2 THR 88 -1.389 12.562 7.460 726 2HG2 THR 88 2HG2 THR 88 -1.505 11.024 6.605 727 3HG2 THR 88 3HG2 THR 88 -1.937 11.119 8.312 728 H LYS 89 H LYS 89 -3.673 11.190 4.113 729 HA LYS 89 HA LYS 89 -0.943 11.035 3.296 730 1HB LYS 89 2HB LYS 89 -3.157 9.399 3.076 731 2HB LYS 89 3HB LYS 89 -2.899 9.934 1.421 732 1HG LYS 89 2HG LYS 89 -1.648 7.996 1.543 733 2HG LYS 89 3HG LYS 89 -0.444 9.256 1.821 734 1HD LYS 89 2HD LYS 89 -1.840 8.082 4.175 735 2HD LYS 89 3HD LYS 89 -0.592 7.125 3.373 736 1HE LYS 89 2HE LYS 89 0.521 9.657 3.606 737 2HE LYS 89 3HE LYS 89 -0.335 9.417 5.128 738 1HZ LYS 89 1HZ LYS 89 1.828 7.765 3.969 739 2HZ LYS 89 2HZ LYS 89 0.831 7.190 5.209 740 3HZ LYS 89 3HZ LYS 89 1.798 8.554 5.465 741 H TYR 90 H TYR 90 -3.296 13.273 2.646 742 HA TYR 90 HA TYR 90 -2.283 13.848 -0.051 743 1HB TYR 90 2HB TYR 90 -4.730 13.647 0.177 744 2HB TYR 90 3HB TYR 90 -4.723 14.947 1.363 745 HD1 TYR 90 HD1 TYR 90 -6.031 16.574 0.276 746 HD2 TYR 90 HD2 TYR 90 -2.762 14.792 -1.784 747 HE1 TYR 90 HE1 TYR 90 -6.276 18.226 -1.529 748 HE2 TYR 90 HE2 TYR 90 -2.997 16.440 -3.594 749 HH TYR 90 HH TYR 90 -3.923 18.547 -4.058 750 H HIS 91 H HIS 91 -2.901 15.354 3.096 751 HA HIS 91 HA HIS 91 -1.439 17.744 2.284 752 1HB HIS 91 2HB HIS 91 -3.572 17.252 4.061 753 2HB HIS 91 3HB HIS 91 -2.208 17.747 5.060 754 HD1 HIS 91 HD1 HIS 91 -4.894 19.095 3.069 755 HD2 HIS 91 HD2 HIS 91 -1.064 20.318 4.114 756 HE1 HIS 91 HE1 HIS 91 -4.837 21.571 2.632 757 H ASP 92 H ASP 92 -1.278 15.214 4.773 758 HA ASP 92 HA ASP 92 1.223 16.123 5.817 759 1HB ASP 92 2HB ASP 92 -0.758 14.237 6.559 760 2HB ASP 92 3HB ASP 92 0.763 13.359 6.418 761 H LEU 93 H LEU 93 0.415 14.557 2.994 762 HA LEU 93 HA LEU 93 2.428 12.625 2.716 763 1HB LEU 93 2HB LEU 93 0.344 13.481 1.196 764 2HB LEU 93 3HB LEU 93 1.715 14.116 0.288 765 HG LEU 93 HG LEU 93 1.018 11.253 0.873 766 1HD1 LEU 93 1HD1 LEU 93 0.046 11.685 -1.123 767 2HD1 LEU 93 2HD1 LEU 93 1.676 11.363 -1.714 768 3HD1 LEU 93 3HD1 LEU 93 1.133 13.026 -1.490 769 1HD2 LEU 93 1HD2 LEU 93 3.296 11.046 -0.541 770 2HD2 LEU 93 2HD2 LEU 93 3.227 10.948 1.219 771 3HD2 LEU 93 3HD2 LEU 93 3.671 12.465 0.436 772 H LYS 94 H LYS 94 2.358 15.985 1.523 773 HA LYS 94 HA LYS 94 4.856 16.158 0.419 774 1HB LYS 94 2HB LYS 94 4.796 18.595 1.157 775 2HB LYS 94 3HB LYS 94 3.435 18.030 0.197 776 1HG LYS 94 2HG LYS 94 2.663 17.565 2.820 777 2HG LYS 94 3HG LYS 94 3.485 19.127 2.867 778 1HD LYS 94 2HD LYS 94 1.116 19.439 2.438 779 2HD LYS 94 3HD LYS 94 2.057 19.910 1.021 780 1HE LYS 94 2HE LYS 94 1.542 17.816 -0.066 781 2HE LYS 94 3HE LYS 94 0.716 17.232 1.378 782 1HZ LYS 94 1HZ LYS 94 -0.150 19.285 -0.547 783 2HZ LYS 94 2HZ LYS 94 -0.739 19.315 1.038 784 3HZ LYS 94 3HZ LYS 94 -1.010 17.961 0.061 785 H LYS 95 H LYS 95 4.023 15.945 3.778 786 HA LYS 95 HA LYS 95 6.231 17.001 5.042 787 1HB LYS 95 2HB LYS 95 4.139 15.943 6.068 788 2HB LYS 95 3HB LYS 95 4.967 14.401 5.894 789 1HG LYS 95 2HG LYS 95 5.566 14.896 8.023 790 2HG LYS 95 3HG LYS 95 6.884 15.707 7.172 791 1HD LYS 95 2HD LYS 95 4.408 17.269 7.645 792 2HD LYS 95 3HD LYS 95 5.420 16.916 9.048 793 1HE LYS 95 2HE LYS 95 7.354 17.750 7.515 794 2HE LYS 95 3HE LYS 95 6.055 18.515 6.602 795 1HZ LYS 95 1HZ LYS 95 6.062 18.911 9.493 796 2HZ LYS 95 2HZ LYS 95 5.627 19.979 8.256 797 3HZ LYS 95 3HZ LYS 95 7.260 19.713 8.607 798 H GLN 96 H GLN 96 5.914 13.925 3.375 799 HA GLN 96 HA GLN 96 8.812 13.524 3.715 800 1HB GLN 96 2HB GLN 96 6.692 11.372 3.589 801 2HB GLN 96 3HB GLN 96 8.426 11.099 3.699 802 1HG GLN 96 2HG GLN 96 6.675 12.397 5.773 803 2HG GLN 96 3HG GLN 96 7.403 10.794 5.856 804 1HE2 GLN 96 1HE2 GLN 96 7.642 13.645 7.199 805 2HE2 GLN 96 2HE2 GLN 96 9.347 13.774 7.447 806 H GLY 97 H GLY 97 6.383 14.189 1.584 807 1HA GLY 97 2HA GLY 97 8.004 13.973 -0.698 808 2HA GLY 97 3HA GLY 97 6.955 12.565 -0.637 809 H LYS 98 H LYS 98 7.244 15.725 -1.686 810 HA LYS 98 HA LYS 98 4.630 16.712 -1.489 811 1HB LYS 98 2HB LYS 98 5.238 18.210 -3.323 812 2HB LYS 98 3HB LYS 98 6.540 18.102 -2.145 813 1HG LYS 98 2HG LYS 98 7.972 17.262 -3.636 814 2HG LYS 98 3HG LYS 98 6.769 16.164 -4.314 815 1HD LYS 98 2HD LYS 98 6.218 17.591 -5.966 816 2HD LYS 98 3HD LYS 98 6.319 19.004 -4.912 817 1HE LYS 98 2HE LYS 98 8.884 17.695 -5.522 818 2HE LYS 98 3HE LYS 98 8.075 18.444 -6.898 819 1HZ LYS 98 1HZ LYS 98 7.923 20.503 -5.578 820 2HZ LYS 98 2HZ LYS 98 9.520 20.032 -5.874 821 3HZ LYS 98 3HZ LYS 98 8.830 19.771 -4.352 822 H ILE 99 H ILE 99 3.438 17.225 -3.731 823 HA ILE 99 HA ILE 99 3.063 14.637 -5.092 824 HB ILE 99 HB ILE 99 0.699 15.121 -5.321 825 1HG1 ILE 99 2HG1 ILE 99 0.929 17.481 -3.494 826 2HG1 ILE 99 3HG1 ILE 99 1.224 17.697 -5.215 827 1HG2 ILE 99 1HG2 ILE 99 1.278 13.882 -3.372 828 2HG2 ILE 99 2HG2 ILE 99 1.751 15.345 -2.510 829 3HG2 ILE 99 3HG2 ILE 99 0.054 15.060 -2.899 830 1HD1 ILE 99 1HD1 ILE 99 -0.960 17.985 -5.430 831 2HD1 ILE 99 2HD1 ILE 99 -1.138 16.260 -5.105 832 3HD1 ILE 99 3HD1 ILE 99 -1.266 17.424 -3.787 833 H LYS 100 H LYS 100 1.865 14.935 -7.235 834 HA LYS 100 HA LYS 100 2.847 17.353 -8.604 835 1HB LYS 100 2HB LYS 100 2.701 14.636 -9.900 836 2HB LYS 100 3HB LYS 100 3.511 16.079 -10.496 837 1HG LYS 100 2HG LYS 100 4.722 15.613 -8.059 838 2HG LYS 100 3HG LYS 100 4.481 13.998 -8.729 839 1HD LYS 100 2HD LYS 100 6.545 14.589 -9.597 840 2HD LYS 100 3HD LYS 100 5.447 15.038 -10.905 841 1HE LYS 100 2HE LYS 100 6.838 16.891 -10.715 842 2HE LYS 100 3HE LYS 100 5.415 17.358 -9.784 843 1HZ LYS 100 1HZ LYS 100 8.009 17.377 -8.911 844 2HZ LYS 100 2HZ LYS 100 7.342 16.010 -8.171 845 3HZ LYS 100 3HZ LYS 100 6.626 17.527 -7.947 846 H ASP 101 H ASP 101 1.488 18.312 -10.048 847 HA ASP 101 HA ASP 101 -1.201 17.132 -10.285 848 1HB ASP 101 2HB ASP 101 -1.166 19.246 -9.040 849 2HB ASP 101 3HB ASP 101 -0.381 20.042 -10.401 850 H ARG 102 H ARG 102 -0.653 15.918 -12.142 851 HA ARG 102 HA ARG 102 0.443 17.133 -14.478 852 1HB ARG 102 2HB ARG 102 -0.929 14.498 -13.972 853 2HB ARG 102 3HB ARG 102 -0.385 14.978 -15.573 854 1HG ARG 102 2HG ARG 102 1.827 14.764 -15.041 855 2HG ARG 102 3HG ARG 102 1.557 15.085 -13.326 856 1HD ARG 102 2HD ARG 102 0.303 12.846 -13.312 857 2HD ARG 102 3HD ARG 102 1.086 12.552 -14.864 858 HE ARG 102 HE ARG 102 2.292 12.420 -12.276 859 1HH1 ARG 102 2HH1 ARG 102 2.896 13.097 -15.637 860 2HH1 ARG 102 1HH1 ARG 102 4.579 12.693 -15.551 861 1HH2 ARG 102 2HH2 ARG 102 4.506 11.885 -12.150 862 2HH2 ARG 102 1HH2 ARG 102 5.493 12.003 -13.567 863 HA PRO 103 HA PRO 103 -3.102 18.868 -16.398 864 1HB PRO 103 2HB PRO 103 -2.589 18.385 -19.020 865 2HB PRO 103 3HB PRO 103 -1.703 19.586 -18.073 866 1HG PRO 103 2HG PRO 103 -0.918 16.789 -18.796 867 2HG PRO 103 3HG PRO 103 0.064 18.265 -18.809 868 1HD PRO 103 2HD PRO 103 0.185 16.452 -16.801 869 2HD PRO 103 3HD PRO 103 0.433 18.190 -16.535 870 H VAL 104 H VAL 104 -5.083 18.384 -17.397 871 HA VAL 104 HA VAL 104 -5.769 15.551 -17.355 872 HB VAL 104 HB VAL 104 -7.206 17.175 -16.157 873 1HG1 VAL 104 1HG1 VAL 104 -6.851 18.908 -18.073 874 2HG1 VAL 104 2HG1 VAL 104 -8.269 18.130 -18.779 875 3HG1 VAL 104 3HG1 VAL 104 -8.373 18.876 -17.185 876 1HG2 VAL 104 1HG2 VAL 104 -8.606 15.829 -18.465 877 2HG2 VAL 104 2HG2 VAL 104 -8.086 15.019 -16.987 878 3HG2 VAL 104 3HG2 VAL 104 -9.320 16.277 -16.915 879 H LYS 105 H LYS 105 -6.349 14.374 -19.097 880 HA LYS 105 HA LYS 105 -5.964 15.601 -21.718 881 1HB LYS 105 2HB LYS 105 -5.425 13.036 -20.590 882 2HB LYS 105 3HB LYS 105 -6.545 12.822 -21.928 883 1HG LYS 105 2HG LYS 105 -4.389 12.610 -22.840 884 2HG LYS 105 3HG LYS 105 -4.960 14.210 -23.317 885 1HD LYS 105 2HD LYS 105 -3.747 14.986 -21.143 886 2HD LYS 105 3HD LYS 105 -2.877 13.458 -21.307 887 1HE LYS 105 2HE LYS 105 -2.371 14.161 -23.687 888 2HE LYS 105 3HE LYS 105 -2.981 15.756 -23.248 889 1HZ LYS 105 1HZ LYS 105 -0.453 15.169 -23.042 890 2HZ LYS 105 2HZ LYS 105 -0.931 14.539 -21.547 891 3HZ LYS 105 3HZ LYS 105 -1.206 16.170 -21.905 892 H GLU 106 H GLU 106 -7.498 15.599 -23.340 893 HA GLU 106 HA GLU 106 -10.246 15.470 -22.435 894 1HB GLU 106 2HB GLU 106 -8.993 16.316 -25.049 895 2HB GLU 106 3HB GLU 106 -10.728 16.308 -24.766 896 1HG GLU 106 2HG GLU 106 -10.297 17.840 -22.813 897 2HG GLU 106 3HG GLU 106 -8.645 17.992 -23.410 898 H VAL 107 H VAL 107 -11.751 13.992 -23.008 899 HA VAL 107 HA VAL 107 -10.890 11.817 -24.804 900 HB VAL 107 HB VAL 107 -12.440 11.661 -22.228 901 1HG1 VAL 107 1HG1 VAL 107 -12.282 9.631 -24.447 902 2HG1 VAL 107 2HG1 VAL 107 -12.747 9.231 -22.792 903 3HG1 VAL 107 3HG1 VAL 107 -13.728 10.351 -23.739 904 1HG2 VAL 107 1HG2 VAL 107 -9.849 11.496 -22.468 905 2HG2 VAL 107 2HG2 VAL 107 -10.710 10.351 -21.440 906 3HG2 VAL 107 3HG2 VAL 107 -10.197 9.870 -23.057 907 H HIS 108 H HIS 108 -12.321 11.101 -26.318 908 HA HIS 108 HA HIS 108 -14.729 12.723 -26.680 909 1HB HIS 108 2HB HIS 108 -13.112 10.978 -28.526 910 2HB HIS 108 3HB HIS 108 -14.721 11.543 -28.967 911 HD1 HIS 108 HD1 HIS 108 -14.829 14.384 -28.439 912 HD2 HIS 108 HD2 HIS 108 -11.268 12.600 -29.623 913 HE1 HIS 108 HE1 HIS 108 -13.425 16.246 -29.380 914 H GLU 109 H GLU 109 -16.525 11.375 -27.910 915 HA GLU 109 HA GLU 109 -17.424 9.415 -26.010 916 1HB GLU 109 2HB GLU 109 -18.766 10.052 -28.627 917 2HB GLU 109 3HB GLU 109 -19.499 9.481 -27.135 918 1HG GLU 109 2HG GLU 109 -20.068 11.612 -26.831 919 2HG GLU 109 3HG GLU 109 -18.392 11.829 -26.329 920 H GLU 110 H GLU 110 -16.933 7.334 -26.077 921 HA GLU 110 HA GLU 110 -17.300 5.608 -28.180 922 1HB GLU 110 2HB GLU 110 -14.948 7.172 -28.571 923 2HB GLU 110 3HB GLU 110 -14.455 5.516 -28.248 924 1HG GLU 110 2HG GLU 110 -15.288 4.741 -30.190 925 2HG GLU 110 3HG GLU 110 -16.659 5.848 -30.171 926 H TYR 111 H TYR 111 -15.354 3.709 -27.902 927 HA TYR 111 HA TYR 111 -15.303 3.171 -25.006 928 1HB TYR 111 2HB TYR 111 -15.633 1.006 -27.072 929 2HB TYR 111 3HB TYR 111 -15.933 0.922 -25.340 930 HD1 TYR 111 HD1 TYR 111 -17.983 1.848 -24.385 931 HD2 TYR 111 HD2 TYR 111 -17.277 1.938 -28.580 932 HE1 TYR 111 HE1 TYR 111 -20.360 2.349 -24.768 933 HE2 TYR 111 HE2 TYR 111 -19.652 2.441 -28.975 934 HH TYR 111 HH TYR 111 -21.554 3.442 -27.724 935 H ASP 112 H ASP 112 -13.154 3.862 -24.852 936 HA ASP 112 HA ASP 112 -11.201 2.075 -26.149 937 1HB ASP 112 2HB ASP 112 -11.272 5.011 -25.915 938 2HB ASP 112 3HB ASP 112 -9.722 4.278 -25.514 939 H LEU 113 H LEU 113 -12.089 3.866 -23.256 940 HA LEU 113 HA LEU 113 -9.894 3.231 -21.648 941 1HB LEU 113 2HB LEU 113 -12.767 3.831 -21.029 942 2HB LEU 113 3HB LEU 113 -11.605 3.477 -19.753 943 HG LEU 113 HG LEU 113 -10.258 5.417 -20.500 944 1HD1 LEU 113 1HD1 LEU 113 -12.569 5.802 -22.389 945 2HD1 LEU 113 2HD1 LEU 113 -10.865 5.599 -22.793 946 3HD1 LEU 113 3HD1 LEU 113 -11.410 7.069 -21.986 947 1HD2 LEU 113 1HD2 LEU 113 -12.037 7.152 -19.819 948 2HD2 LEU 113 2HD2 LEU 113 -11.608 5.887 -18.667 949 3HD2 LEU 113 3HD2 LEU 113 -13.097 5.758 -19.606 950 H TRP 114 H TRP 114 -10.650 1.929 -19.428 951 HA TRP 114 HA TRP 114 -10.357 -0.770 -20.090 952 1HB TRP 114 2HB TRP 114 -11.011 0.729 -17.597 953 2HB TRP 114 3HB TRP 114 -11.279 -1.012 -17.606 954 HD1 TRP 114 HD1 TRP 114 -8.760 1.265 -16.531 955 HE1 TRP 114 HE1 TRP 114 -6.410 0.215 -16.533 956 HE3 TRP 114 HE3 TRP 114 -9.697 -2.815 -19.466 957 HZ2 TRP 114 HZ2 TRP 114 -5.124 -2.043 -17.633 958 HZ3 TRP 114 HZ3 TRP 114 -7.852 -4.371 -19.946 959 HH2 TRP 114 HH2 TRP 114 -5.613 -3.991 -19.048 960 H GLU 115 H GLU 115 -13.244 1.097 -19.258 961 HA GLU 115 HA GLU 115 -15.468 0.583 -19.313 962 1HB GLU 115 2HB GLU 115 -14.342 -0.741 -21.756 963 2HB GLU 115 3HB GLU 115 -16.049 -0.909 -21.373 964 1HG GLU 115 2HG GLU 115 -15.129 1.844 -21.233 965 2HG GLU 115 3HG GLU 115 -14.902 1.119 -22.824 966 H ASP 116 H ASP 116 -15.089 -0.636 -17.275 967 HA ASP 116 HA ASP 116 -16.480 -3.059 -17.273 968 1HB ASP 116 2HB ASP 116 -14.802 -4.397 -18.042 969 2HB ASP 116 3HB ASP 116 -13.537 -3.280 -17.536 970 HA PRO 117 HA PRO 117 -14.613 -2.356 -12.881 971 1HB PRO 117 2HB PRO 117 -12.689 -0.459 -12.621 972 2HB PRO 117 3HB PRO 117 -12.328 -2.149 -12.994 973 1HG PRO 117 2HG PRO 117 -12.501 0.202 -14.838 974 2HG PRO 117 3HG PRO 117 -11.306 -1.107 -14.804 975 1HD PRO 117 2HD PRO 117 -13.364 -1.059 -16.563 976 2HD PRO 117 3HD PRO 117 -12.692 -2.572 -15.920 977 H ILE 118 H ILE 118 -13.996 0.840 -14.339 978 HA ILE 118 HA ILE 118 -15.743 2.108 -12.427 979 HB ILE 118 HB ILE 118 -14.992 4.168 -13.254 980 1HG1 ILE 118 2HG1 ILE 118 -15.493 3.624 -15.654 981 2HG1 ILE 118 3HG1 ILE 118 -14.008 4.538 -15.415 982 1HG2 ILE 118 1HG2 ILE 118 -12.762 2.168 -13.588 983 2HG2 ILE 118 2HG2 ILE 118 -12.533 3.910 -13.448 984 3HG2 ILE 118 3HG2 ILE 118 -13.229 3.002 -12.106 985 1HD1 ILE 118 1HD1 ILE 118 -12.768 2.367 -15.550 986 2HD1 ILE 118 2HD1 ILE 118 -14.287 1.614 -16.039 987 3HD1 ILE 118 3HD1 ILE 118 -13.566 2.876 -17.037 988 H TRP 119 H TRP 119 -16.120 0.680 -15.467 989 HA TRP 119 HA TRP 119 -18.039 2.295 -16.694 990 1HB TRP 119 2HB TRP 119 -16.893 0.355 -17.762 991 2HB TRP 119 3HB TRP 119 -17.889 -0.725 -16.790 992 HD1 TRP 119 HD1 TRP 119 -19.712 -1.726 -18.267 993 HE1 TRP 119 HE1 TRP 119 -21.274 -0.865 -20.122 994 HE3 TRP 119 HE3 TRP 119 -18.016 3.086 -18.588 995 HZ2 TRP 119 HZ2 TRP 119 -21.727 1.535 -21.535 996 HZ3 TRP 119 HZ3 TRP 119 -19.067 4.600 -20.218 997 HH2 TRP 119 HH2 TRP 119 -20.884 3.839 -21.660 998 H GLN 120 H GLN 120 -18.280 0.158 -13.979 999 HA GLN 120 HA GLN 120 -21.204 0.504 -13.958 1000 1HB GLN 120 2HB GLN 120 -20.624 -1.828 -14.026 1001 2HB GLN 120 3HB GLN 120 -19.470 -1.632 -12.714 1002 1HG GLN 120 2HG GLN 120 -21.255 -1.185 -11.155 1003 2HG GLN 120 3HG GLN 120 -22.443 -1.242 -12.457 1004 1HE2 GLN 120 1HE2 GLN 120 -21.996 -2.856 -9.958 1005 2HE2 GLN 120 2HE2 GLN 120 -22.020 -4.497 -10.496 1006 H TYR 121 H TYR 121 -18.842 -0.247 -11.411 1007 HA TYR 121 HA TYR 121 -19.824 2.104 -9.930 1008 1HB TYR 121 2HB TYR 121 -20.332 -0.440 -9.179 1009 2HB TYR 121 3HB TYR 121 -18.787 -0.192 -8.373 1010 HD1 TYR 121 HD1 TYR 121 -19.054 0.300 -6.141 1011 HD2 TYR 121 HD2 TYR 121 -21.821 1.929 -8.933 1012 HE1 TYR 121 HE1 TYR 121 -20.194 1.483 -4.311 1013 HE2 TYR 121 HE2 TYR 121 -22.968 3.118 -7.111 1014 HH TYR 121 HH TYR 121 -23.241 2.985 -4.712 1015 H ILE 122 H ILE 122 -18.229 2.543 -8.004 1016 HA ILE 122 HA ILE 122 -15.868 3.534 -9.031 1017 HB ILE 122 HB ILE 122 -15.049 3.557 -6.633 1018 1HG1 ILE 122 2HG1 ILE 122 -17.819 2.772 -5.831 1019 2HG1 ILE 122 3HG1 ILE 122 -16.650 1.501 -6.172 1020 1HG2 ILE 122 1HG2 ILE 122 -16.736 5.223 -5.928 1021 2HG2 ILE 122 2HG2 ILE 122 -16.184 5.458 -7.586 1022 3HG2 ILE 122 3HG2 ILE 122 -17.755 4.720 -7.276 1023 1HD1 ILE 122 1HD1 ILE 122 -16.171 1.709 -3.997 1024 2HD1 ILE 122 2HD1 ILE 122 -15.207 3.088 -4.530 1025 3HD1 ILE 122 3HD1 ILE 122 -16.835 3.340 -3.900 Start of MODEL 10 1 H MET 1 H MET 1 7.259 -4.377 -5.255 2 HA MET 1 HA MET 1 7.164 -7.095 -6.361 3 1HB MET 1 2HB MET 1 8.657 -6.736 -4.231 4 2HB MET 1 3HB MET 1 7.111 -6.710 -3.393 5 1HG MET 1 2HG MET 1 6.659 -8.923 -4.635 6 2HG MET 1 3HG MET 1 8.402 -8.945 -4.897 7 1HE MET 1 1HE MET 1 8.547 -11.502 -2.201 8 2HE MET 1 2HE MET 1 8.370 -11.172 -3.924 9 3HE MET 1 3HE MET 1 9.783 -10.575 -3.052 10 H GLN 2 H GLN 2 5.204 -8.172 -6.120 11 HA GLN 2 HA GLN 2 2.948 -8.399 -5.933 12 1HB GLN 2 2HB GLN 2 3.040 -6.265 -3.805 13 2HB GLN 2 3HB GLN 2 1.857 -7.553 -3.993 14 1HG GLN 2 2HG GLN 2 3.720 -9.181 -3.554 15 2HG GLN 2 3HG GLN 2 4.720 -7.796 -3.118 16 1HE2 GLN 2 1HE2 GLN 2 3.928 -10.008 -1.455 17 2HE2 GLN 2 2HE2 GLN 2 3.039 -9.345 -0.131 18 H LYS 3 H LYS 3 3.792 -6.795 -7.969 19 HA LYS 3 HA LYS 3 1.542 -4.950 -8.209 20 1HB LYS 3 2HB LYS 3 4.402 -4.187 -8.198 21 2HB LYS 3 3HB LYS 3 3.419 -3.468 -9.466 22 1HG LYS 3 2HG LYS 3 3.061 -1.895 -7.900 23 2HG LYS 3 3HG LYS 3 1.822 -3.028 -7.355 24 1HD LYS 3 2HD LYS 3 3.394 -3.976 -5.742 25 2HD LYS 3 3HD LYS 3 4.645 -2.862 -6.297 26 1HE LYS 3 2HE LYS 3 3.904 -1.631 -4.551 27 2HE LYS 3 3HE LYS 3 2.706 -1.102 -5.731 28 1HZ LYS 3 1HZ LYS 3 1.065 -2.193 -4.682 29 2HZ LYS 3 2HZ LYS 3 2.090 -2.099 -3.340 30 3HZ LYS 3 3HZ LYS 3 2.038 -3.514 -4.266 31 H GLY 4 H GLY 4 1.730 -3.956 -10.606 32 1HA GLY 4 2HA GLY 4 2.387 -4.495 -12.886 33 2HA GLY 4 3HA GLY 4 2.414 -6.187 -12.414 34 H LEU 5 H LEU 5 -0.170 -4.249 -11.224 35 HA LEU 5 HA LEU 5 -1.981 -5.509 -13.177 36 1HB LEU 5 2HB LEU 5 -2.263 -4.953 -10.251 37 2HB LEU 5 3HB LEU 5 -3.694 -5.079 -11.272 38 HG LEU 5 HG LEU 5 -3.283 -7.178 -10.146 39 1HD1 LEU 5 1HD1 LEU 5 -2.545 -7.407 -13.059 40 2HD1 LEU 5 2HD1 LEU 5 -4.184 -7.196 -12.446 41 3HD1 LEU 5 3HD1 LEU 5 -3.276 -8.654 -12.050 42 1HD2 LEU 5 1HD2 LEU 5 -1.278 -8.437 -10.384 43 2HD2 LEU 5 2HD2 LEU 5 -0.816 -6.809 -9.887 44 3HD2 LEU 5 3HD2 LEU 5 -0.633 -7.302 -11.571 45 H GLU 6 H GLU 6 -3.967 -4.305 -13.655 46 HA GLU 6 HA GLU 6 -3.514 -1.394 -13.547 47 1HB GLU 6 2HB GLU 6 -5.185 -1.655 -15.651 48 2HB GLU 6 3HB GLU 6 -3.433 -1.642 -15.794 49 1HG GLU 6 2HG GLU 6 -4.377 -3.446 -17.092 50 2HG GLU 6 3HG GLU 6 -3.410 -4.084 -15.764 51 H ILE 7 H ILE 7 -5.145 -0.096 -12.874 52 HA ILE 7 HA ILE 7 -7.805 -1.249 -12.471 53 HB ILE 7 HB ILE 7 -7.804 0.014 -10.200 54 1HG1 ILE 7 2HG1 ILE 7 -5.365 0.816 -10.830 55 2HG1 ILE 7 3HG1 ILE 7 -5.798 0.465 -9.160 56 1HG2 ILE 7 1HG2 ILE 7 -8.149 -2.326 -10.263 57 2HG2 ILE 7 2HG2 ILE 7 -6.467 -2.634 -10.692 58 3HG2 ILE 7 3HG2 ILE 7 -6.873 -2.048 -9.079 59 1HD1 ILE 7 1HD1 ILE 7 -4.551 -1.448 -9.097 60 2HD1 ILE 7 2HD1 ILE 7 -4.665 -1.711 -10.838 61 3HD1 ILE 7 3HD1 ILE 7 -3.593 -0.463 -10.203 62 H ALA 8 H ALA 8 -9.487 0.237 -12.491 63 HA ALA 8 HA ALA 8 -8.733 3.011 -13.148 64 1HB ALA 8 1HB ALA 8 -10.968 1.386 -14.358 65 2HB ALA 8 2HB ALA 8 -10.646 3.089 -14.686 66 3HB ALA 8 3HB ALA 8 -9.469 1.863 -15.157 67 H PHE 9 H PHE 9 -10.049 4.656 -12.373 68 HA PHE 9 HA PHE 9 -12.170 3.851 -10.499 69 1HB PHE 9 2HB PHE 9 -10.064 4.472 -9.301 70 2HB PHE 9 3HB PHE 9 -10.184 6.078 -10.011 71 HD1 PHE 9 HD1 PHE 9 -11.036 7.707 -8.654 72 HD2 PHE 9 HD2 PHE 9 -12.399 3.704 -8.165 73 HE1 PHE 9 HE1 PHE 9 -12.468 8.426 -6.787 74 HE2 PHE 9 HE2 PHE 9 -13.834 4.417 -6.298 75 HZ PHE 9 HZ PHE 9 -13.870 6.781 -5.607 76 H GLN 10 H GLN 10 -14.005 5.051 -10.535 77 HA GLN 10 HA GLN 10 -14.115 7.207 -12.529 78 1HB GLN 10 2HB GLN 10 -16.399 6.705 -12.860 79 2HB GLN 10 3HB GLN 10 -15.585 5.148 -12.778 80 1HG GLN 10 2HG GLN 10 -17.367 4.723 -11.438 81 2HG GLN 10 3HG GLN 10 -16.227 5.322 -10.234 82 1HE2 GLN 10 1HE2 GLN 10 -18.467 6.769 -12.582 83 2HE2 GLN 10 2HE2 GLN 10 -19.217 7.845 -11.458 84 H THR 11 H THR 11 -14.759 9.223 -11.992 85 HA THR 11 HA THR 11 -15.848 9.699 -9.313 86 HB THR 11 HB THR 11 -14.308 11.418 -8.771 87 HG1 THR 11 HG1 THR 11 -13.243 12.483 -10.262 88 1HG2 THR 11 1HG2 THR 11 -12.277 9.619 -9.920 89 2HG2 THR 11 2HG2 THR 11 -13.521 8.831 -8.949 90 3HG2 THR 11 3HG2 THR 11 -12.537 10.116 -8.249 91 H ILE 12 H ILE 12 -16.446 12.120 -9.109 92 HA ILE 12 HA ILE 12 -17.080 13.507 -11.535 93 HB ILE 12 HB ILE 12 -19.621 13.497 -10.750 94 1HG1 ILE 12 2HG1 ILE 12 -20.316 11.231 -10.089 95 2HG1 ILE 12 3HG1 ILE 12 -18.629 10.730 -10.023 96 1HG2 ILE 12 1HG2 ILE 12 -20.015 12.463 -12.713 97 2HG2 ILE 12 2HG2 ILE 12 -18.269 12.609 -12.907 98 3HG2 ILE 12 3HG2 ILE 12 -18.969 11.098 -12.326 99 1HD1 ILE 12 1HD1 ILE 12 -19.884 12.844 -8.288 100 2HD1 ILE 12 2HD1 ILE 12 -19.558 11.178 -7.808 101 3HD1 ILE 12 3HD1 ILE 12 -18.222 12.262 -8.195 102 H ASN 13 H ASN 13 -18.608 15.426 -10.991 103 HA ASN 13 HA ASN 13 -17.368 17.015 -9.067 104 1HB ASN 13 2HB ASN 13 -18.684 17.874 -10.997 105 2HB ASN 13 3HB ASN 13 -20.160 17.368 -10.181 106 1HD2 ASN 13 1HD2 ASN 13 -21.143 18.830 -8.992 107 2HD2 ASN 13 2HD2 ASN 13 -20.429 20.265 -8.349 108 H GLY 14 H GLY 14 -17.297 16.326 -6.993 109 1HA GLY 14 2HA GLY 14 -19.629 16.595 -5.383 110 2HA GLY 14 3HA GLY 14 -19.213 14.901 -5.595 111 H LEU 15 H LEU 15 -17.221 14.127 -4.764 112 HA LEU 15 HA LEU 15 -15.557 15.878 -3.188 113 1HB LEU 15 2HB LEU 15 -15.920 14.336 -1.149 114 2HB LEU 15 3HB LEU 15 -17.075 15.627 -1.471 115 HG LEU 15 HG LEU 15 -18.004 13.363 -0.759 116 1HD1 LEU 15 1HD1 LEU 15 -19.003 15.360 -2.359 117 2HD1 LEU 15 2HD1 LEU 15 -19.934 14.043 -1.645 118 3HD1 LEU 15 3HD1 LEU 15 -19.328 13.901 -3.295 119 1HD2 LEU 15 1HD2 LEU 15 -18.129 11.613 -2.310 120 2HD2 LEU 15 2HD2 LEU 15 -16.449 12.147 -2.381 121 3HD2 LEU 15 3HD2 LEU 15 -17.583 12.634 -3.641 122 H ASP 16 H ASP 16 -15.425 13.893 -5.421 123 HA ASP 16 HA ASP 16 -13.653 11.868 -4.260 124 1HB ASP 16 2HB ASP 16 -15.173 12.094 -6.824 125 2HB ASP 16 3HB ASP 16 -13.727 11.089 -6.782 126 H GLU 17 H GLU 17 -13.641 14.738 -6.186 127 HA GLU 17 HA GLU 17 -11.323 14.526 -7.654 128 1HB GLU 17 2HB GLU 17 -11.124 17.010 -7.377 129 2HB GLU 17 3HB GLU 17 -12.709 16.458 -7.902 130 1HG GLU 17 2HG GLU 17 -13.448 16.599 -5.514 131 2HG GLU 17 3HG GLU 17 -11.907 17.376 -5.155 132 H SER 18 H SER 18 -11.692 15.147 -4.217 133 HA SER 18 HA SER 18 -9.016 15.882 -3.689 134 1HB SER 18 2HB SER 18 -11.243 14.807 -1.969 135 2HB SER 18 3HB SER 18 -9.637 15.114 -1.307 136 HG SER 18 HG SER 18 -9.878 17.245 -1.666 137 H LEU 19 H LEU 19 -10.712 12.770 -3.379 138 HA LEU 19 HA LEU 19 -8.513 11.280 -2.477 139 1HB LEU 19 2HB LEU 19 -10.836 10.511 -2.344 140 2HB LEU 19 3HB LEU 19 -10.884 10.363 -4.100 141 HG LEU 19 HG LEU 19 -10.558 8.246 -2.637 142 1HD1 LEU 19 1HD1 LEU 19 -9.576 9.032 -5.233 143 2HD1 LEU 19 2HD1 LEU 19 -10.292 7.506 -4.713 144 3HD1 LEU 19 3HD1 LEU 19 -8.561 7.780 -4.517 145 1HD2 LEU 19 1HD2 LEU 19 -8.504 7.787 -1.756 146 2HD2 LEU 19 2HD2 LEU 19 -8.535 9.536 -1.525 147 3HD2 LEU 19 3HD2 LEU 19 -7.657 8.841 -2.889 148 H VAL 20 H VAL 20 -9.577 12.160 -5.703 149 HA VAL 20 HA VAL 20 -7.853 10.400 -7.116 150 HB VAL 20 HB VAL 20 -8.946 13.026 -8.124 151 1HG1 VAL 20 1HG1 VAL 20 -8.223 10.492 -9.591 152 2HG1 VAL 20 2HG1 VAL 20 -8.778 12.005 -10.308 153 3HG1 VAL 20 3HG1 VAL 20 -7.211 11.933 -9.501 154 1HG2 VAL 20 1HG2 VAL 20 -10.995 12.194 -7.906 155 2HG2 VAL 20 2HG2 VAL 20 -10.551 10.908 -9.028 156 3HG2 VAL 20 3HG2 VAL 20 -10.358 10.669 -7.291 157 H GLN 21 H GLN 21 -7.644 13.907 -6.499 158 HA GLN 21 HA GLN 21 -5.048 14.194 -7.574 159 1HB GLN 21 2HB GLN 21 -6.681 15.889 -5.694 160 2HB GLN 21 3HB GLN 21 -5.066 16.356 -6.211 161 1HG GLN 21 2HG GLN 21 -5.745 16.516 -8.477 162 2HG GLN 21 3HG GLN 21 -7.299 15.760 -8.130 163 1HE2 GLN 21 1HE2 GLN 21 -6.046 18.561 -8.965 164 2HE2 GLN 21 2HE2 GLN 21 -7.095 19.662 -8.145 165 H ALA 22 H ALA 22 -6.215 13.139 -4.496 166 HA ALA 22 HA ALA 22 -3.737 13.572 -3.094 167 1HB ALA 22 1HB ALA 22 -6.159 11.951 -2.318 168 2HB ALA 22 2HB ALA 22 -4.811 12.363 -1.257 169 3HB ALA 22 3HB ALA 22 -5.855 13.635 -1.892 170 H LEU 23 H LEU 23 -5.503 10.697 -4.242 171 HA LEU 23 HA LEU 23 -3.535 8.823 -3.533 172 1HB LEU 23 2HB LEU 23 -4.816 7.263 -4.616 173 2HB LEU 23 3HB LEU 23 -6.006 8.521 -4.290 174 HG LEU 23 HG LEU 23 -5.329 9.300 -6.724 175 1HD1 LEU 23 1HD1 LEU 23 -5.140 7.013 -8.010 176 2HD1 LEU 23 2HD1 LEU 23 -4.357 6.498 -6.517 177 3HD1 LEU 23 3HD1 LEU 23 -3.705 7.858 -7.430 178 1HD2 LEU 23 1HD2 LEU 23 -7.172 7.009 -6.058 179 2HD2 LEU 23 2HD2 LEU 23 -7.179 7.886 -7.588 180 3HD2 LEU 23 3HD2 LEU 23 -7.573 8.726 -6.088 181 H ALA 24 H ALA 24 -3.958 10.820 -6.383 182 HA ALA 24 HA ALA 24 -2.171 9.538 -8.113 183 1HB ALA 24 1HB ALA 24 -1.910 12.024 -8.973 184 2HB ALA 24 2HB ALA 24 -3.398 11.110 -9.220 185 3HB ALA 24 3HB ALA 24 -3.291 12.282 -7.906 186 H GLY 25 H GLY 25 -1.590 12.307 -5.935 187 1HA GLY 25 2HA GLY 25 1.198 12.425 -6.452 188 2HA GLY 25 3HA GLY 25 0.366 13.186 -5.105 189 H VAL 26 H VAL 26 -0.708 10.839 -3.933 190 HA VAL 26 HA VAL 26 1.461 10.049 -2.314 191 HB VAL 26 HB VAL 26 -1.261 8.776 -2.628 192 1HG1 VAL 26 1HG1 VAL 26 -0.137 7.090 -1.573 193 2HG1 VAL 26 2HG1 VAL 26 1.042 8.182 -0.843 194 3HG1 VAL 26 3HG1 VAL 26 -0.587 8.066 -0.175 195 1HG2 VAL 26 1HG2 VAL 26 -2.074 10.376 -1.306 196 2HG2 VAL 26 2HG2 VAL 26 -0.732 10.221 -0.172 197 3HG2 VAL 26 3HG2 VAL 26 -0.571 11.254 -1.592 198 H THR 27 H THR 27 -0.370 8.256 -4.788 199 HA THR 27 HA THR 27 1.149 5.893 -4.645 200 HB THR 27 HB THR 27 0.205 5.352 -6.864 201 HG1 THR 27 HG1 THR 27 -1.307 6.976 -7.714 202 1HG2 THR 27 1HG2 THR 27 -1.541 6.396 -4.671 203 2HG2 THR 27 2HG2 THR 27 -1.266 4.733 -5.188 204 3HG2 THR 27 3HG2 THR 27 -2.270 5.805 -6.164 205 H ALA 28 H ALA 28 1.385 8.684 -6.836 206 HA ALA 28 HA ALA 28 3.532 7.716 -8.372 207 1HB ALA 28 1HB ALA 28 3.612 9.809 -9.352 208 2HB ALA 28 2HB ALA 28 1.947 9.731 -8.774 209 3HB ALA 28 3HB ALA 28 3.154 10.638 -7.864 210 H SER 29 H SER 29 3.425 9.570 -5.375 211 HA SER 29 HA SER 29 6.246 10.041 -5.285 212 1HB SER 29 2HB SER 29 4.778 11.575 -4.133 213 2HB SER 29 3HB SER 29 4.097 10.267 -3.166 214 HG SER 29 HG SER 29 5.590 11.013 -1.830 215 H ASP 30 H ASP 30 4.066 7.607 -4.013 216 HA ASP 30 HA ASP 30 6.095 6.360 -2.384 217 1HB ASP 30 2HB ASP 30 3.291 5.520 -3.139 218 2HB ASP 30 3HB ASP 30 4.338 4.584 -2.075 219 H PHE 31 H PHE 31 5.186 6.273 -5.651 220 HA PHE 31 HA PHE 31 6.687 3.766 -6.033 221 1HB PHE 31 2HB PHE 31 4.339 4.828 -7.614 222 2HB PHE 31 3HB PHE 31 5.331 3.466 -8.125 223 HD1 PHE 31 HD1 PHE 31 5.743 2.091 -5.539 224 HD2 PHE 31 HD2 PHE 31 2.260 3.871 -7.216 225 HE1 PHE 31 HE1 PHE 31 4.333 0.568 -4.218 226 HE2 PHE 31 HE2 PHE 31 0.844 2.351 -5.897 227 HZ PHE 31 HZ PHE 31 1.880 0.698 -4.395 228 HA PRO 32 HA PRO 32 8.740 7.401 -8.195 229 1HB PRO 32 2HB PRO 32 11.142 7.154 -6.955 230 2HB PRO 32 3HB PRO 32 9.823 8.137 -6.308 231 1HG PRO 32 2HG PRO 32 10.667 5.366 -5.552 232 2HG PRO 32 3HG PRO 32 10.192 6.716 -4.505 233 1HD PRO 32 2HD PRO 32 8.505 4.692 -5.129 234 2HD PRO 32 3HD PRO 32 7.941 6.351 -4.844 235 H ASP 33 H ASP 33 9.965 4.200 -7.293 236 HA ASP 33 HA ASP 33 11.459 4.073 -9.815 237 1HB ASP 33 2HB ASP 33 11.564 2.105 -7.526 238 2HB ASP 33 3HB ASP 33 12.700 2.258 -8.863 239 H LEU 34 H LEU 34 8.638 2.908 -8.266 240 HA LEU 34 HA LEU 34 8.320 0.459 -9.650 241 1HB LEU 34 2HB LEU 34 6.763 2.134 -7.865 242 2HB LEU 34 3HB LEU 34 5.766 1.393 -9.114 243 HG LEU 34 HG LEU 34 7.162 -0.760 -8.270 244 1HD1 LEU 34 1HD1 LEU 34 7.441 1.262 -6.204 245 2HD1 LEU 34 2HD1 LEU 34 8.257 -0.290 -6.389 246 3HD1 LEU 34 3HD1 LEU 34 6.674 -0.213 -5.615 247 1HD2 LEU 34 1HD2 LEU 34 5.078 -0.923 -6.606 248 2HD2 LEU 34 2HD2 LEU 34 4.928 -1.129 -8.352 249 3HD2 LEU 34 3HD2 LEU 34 4.532 0.422 -7.609 250 H ASP 35 H ASP 35 8.225 3.630 -10.733 251 HA ASP 35 HA ASP 35 7.502 4.652 -12.638 252 1HB ASP 35 2HB ASP 35 7.697 1.819 -13.682 253 2HB ASP 35 3HB ASP 35 7.568 3.259 -14.687 254 H ILE 36 H ILE 36 5.434 4.729 -11.210 255 HA ILE 36 HA ILE 36 3.214 3.127 -11.991 256 HB ILE 36 HB ILE 36 3.167 4.140 -9.821 257 1HG1 ILE 36 2HG1 ILE 36 1.140 5.715 -11.394 258 2HG1 ILE 36 3HG1 ILE 36 1.029 3.964 -11.256 259 1HG2 ILE 36 1HG2 ILE 36 4.225 6.090 -9.587 260 2HG2 ILE 36 2HG2 ILE 36 4.013 6.501 -11.288 261 3HG2 ILE 36 3HG2 ILE 36 2.726 6.842 -10.132 262 1HD1 ILE 36 1HD1 ILE 36 -0.219 5.587 -9.594 263 2HD1 ILE 36 2HD1 ILE 36 0.440 4.039 -9.066 264 3HD1 ILE 36 3HD1 ILE 36 1.333 5.528 -8.758 265 H LYS 37 H LYS 37 1.663 3.460 -13.493 266 HA LYS 37 HA LYS 37 1.944 5.846 -15.201 267 1HB LYS 37 2HB LYS 37 0.789 3.203 -16.079 268 2HB LYS 37 3HB LYS 37 1.294 4.552 -17.088 269 1HG LYS 37 2HG LYS 37 3.090 2.748 -15.480 270 2HG LYS 37 3HG LYS 37 2.898 2.757 -17.235 271 1HD LYS 37 2HD LYS 37 3.945 5.054 -15.579 272 2HD LYS 37 3HD LYS 37 4.938 3.931 -16.512 273 1HE LYS 37 2HE LYS 37 3.503 4.654 -18.517 274 2HE LYS 37 3HE LYS 37 3.001 6.002 -17.498 275 1HZ LYS 37 1HZ LYS 37 5.847 5.374 -18.028 276 2HZ LYS 37 2HZ LYS 37 5.199 6.793 -17.373 277 3HZ LYS 37 3HZ LYS 37 4.948 6.423 -19.005 278 H TYR 38 H TYR 38 0.456 7.075 -14.014 279 HA TYR 38 HA TYR 38 -2.338 6.168 -14.255 280 1HB TYR 38 2HB TYR 38 -2.888 7.142 -12.185 281 2HB TYR 38 3HB TYR 38 -1.356 6.328 -11.890 282 HD1 TYR 38 HD1 TYR 38 0.719 7.644 -11.647 283 HD2 TYR 38 HD2 TYR 38 -3.074 9.527 -12.051 284 HE1 TYR 38 HE1 TYR 38 1.683 9.749 -10.818 285 HE2 TYR 38 HE2 TYR 38 -2.121 11.638 -11.224 286 HH TYR 38 HH TYR 38 0.105 12.722 -11.081 287 H ASN 39 H ASN 39 -3.924 7.832 -14.593 288 HA ASN 39 HA ASN 39 -3.087 10.504 -15.241 289 1HB ASN 39 2HB ASN 39 -2.428 9.285 -17.290 290 2HB ASN 39 3HB ASN 39 -4.086 8.720 -17.473 291 1HD2 ASN 39 1HD2 ASN 39 -1.915 11.384 -17.788 292 2HD2 ASN 39 2HD2 ASN 39 -3.002 12.447 -18.608 293 H ILE 40 H ILE 40 -4.876 11.909 -15.737 294 HA ILE 40 HA ILE 40 -7.499 10.765 -15.033 295 HB ILE 40 HB ILE 40 -7.450 13.511 -14.309 296 1HG1 ILE 40 2HG1 ILE 40 -4.944 13.064 -14.204 297 2HG1 ILE 40 3HG1 ILE 40 -5.687 13.680 -12.732 298 1HG2 ILE 40 1HG2 ILE 40 -7.967 12.597 -12.076 299 2HG2 ILE 40 2HG2 ILE 40 -8.931 11.860 -13.355 300 3HG2 ILE 40 3HG2 ILE 40 -7.563 10.985 -12.668 301 1HD1 ILE 40 1HD1 ILE 40 -4.007 11.591 -12.806 302 2HD1 ILE 40 2HD1 ILE 40 -5.256 11.802 -11.578 303 3HD1 ILE 40 3HD1 ILE 40 -5.550 10.752 -12.963 304 H PHE 41 H PHE 41 -8.939 11.008 -16.596 305 HA PHE 41 HA PHE 41 -8.788 13.398 -18.305 306 1HB PHE 41 2HB PHE 41 -9.746 11.754 -20.114 307 2HB PHE 41 3HB PHE 41 -8.012 11.825 -19.814 308 HD1 PHE 41 HD1 PHE 41 -6.887 9.845 -19.556 309 HD2 PHE 41 HD2 PHE 41 -11.030 10.003 -18.593 310 HE1 PHE 41 HE1 PHE 41 -6.868 7.428 -19.092 311 HE2 PHE 41 HE2 PHE 41 -11.017 7.587 -18.127 312 HZ PHE 41 HZ PHE 41 -8.934 6.297 -18.375 313 H LEU 42 H LEU 42 -10.757 14.212 -19.062 314 HA LEU 42 HA LEU 42 -13.096 13.266 -17.556 315 1HB LEU 42 2HB LEU 42 -12.066 15.735 -17.596 316 2HB LEU 42 3HB LEU 42 -13.156 15.863 -18.974 317 HG LEU 42 HG LEU 42 -14.028 15.032 -16.210 318 1HD1 LEU 42 1HD1 LEU 42 -14.025 17.735 -17.534 319 2HD1 LEU 42 2HD1 LEU 42 -13.255 17.271 -16.017 320 3HD1 LEU 42 3HD1 LEU 42 -15.014 17.334 -16.129 321 1HD2 LEU 42 1HD2 LEU 42 -15.696 16.059 -18.492 322 2HD2 LEU 42 2HD2 LEU 42 -16.234 15.274 -17.007 323 3HD2 LEU 42 3HD2 LEU 42 -15.383 14.342 -18.240 324 H VAL 43 H VAL 43 -14.631 12.217 -18.618 325 HA VAL 43 HA VAL 43 -14.719 12.420 -21.546 326 HB VAL 43 HB VAL 43 -15.485 10.276 -21.660 327 1HG1 VAL 43 1HG1 VAL 43 -14.059 8.980 -20.448 328 2HG1 VAL 43 2HG1 VAL 43 -13.355 10.560 -20.098 329 3HG1 VAL 43 3HG1 VAL 43 -14.431 9.795 -18.929 330 1HG2 VAL 43 1HG2 VAL 43 -16.779 10.760 -18.988 331 2HG2 VAL 43 2HG2 VAL 43 -17.560 10.508 -20.549 332 3HG2 VAL 43 3HG2 VAL 43 -16.731 9.171 -19.751 333 H ASP 44 H ASP 44 -16.527 13.048 -22.629 334 HA ASP 44 HA ASP 44 -18.925 13.685 -21.057 335 1HB ASP 44 2HB ASP 44 -17.918 15.525 -23.219 336 2HB ASP 44 3HB ASP 44 -19.136 15.846 -21.988 337 H LEU 45 H LEU 45 -20.351 12.264 -21.851 338 HA LEU 45 HA LEU 45 -20.832 12.298 -24.746 339 1HB LEU 45 2HB LEU 45 -19.647 10.177 -23.458 340 2HB LEU 45 3HB LEU 45 -21.346 9.712 -23.497 341 HG LEU 45 HG LEU 45 -19.480 10.192 -25.800 342 1HD1 LEU 45 1HD1 LEU 45 -19.403 7.979 -25.795 343 2HD1 LEU 45 2HD1 LEU 45 -21.137 7.935 -26.112 344 3HD1 LEU 45 3HD1 LEU 45 -20.543 7.912 -24.451 345 1HD2 LEU 45 1HD2 LEU 45 -21.575 9.773 -27.203 346 2HD2 LEU 45 2HD2 LEU 45 -21.360 11.385 -26.521 347 3HD2 LEU 45 3HD2 LEU 45 -22.481 10.250 -25.767 348 H TYR 46 H TYR 46 -22.952 12.218 -25.354 349 HA TYR 46 HA TYR 46 -25.215 12.373 -25.194 350 1HB TYR 46 2HB TYR 46 -24.930 10.867 -22.589 351 2HB TYR 46 3HB TYR 46 -26.370 10.985 -23.595 352 HD1 TYR 46 HD1 TYR 46 -26.519 9.739 -25.703 353 HD2 TYR 46 HD2 TYR 46 -23.144 9.347 -23.141 354 HE1 TYR 46 HE1 TYR 46 -25.854 7.697 -26.901 355 HE2 TYR 46 HE2 TYR 46 -22.469 7.304 -24.334 356 HH TYR 46 HH TYR 46 -23.064 6.447 -26.998 357 H GLY 47 H GLY 47 -23.636 14.507 -24.217 358 1HA GLY 47 2HA GLY 47 -23.926 16.498 -23.110 359 2HA GLY 47 3HA GLY 47 -25.592 16.007 -22.844 360 H GLN 48 H GLN 48 -23.380 13.742 -21.666 361 HA GLN 48 HA GLN 48 -23.777 14.760 -18.933 362 1HB GLN 48 2HB GLN 48 -23.117 11.913 -19.661 363 2HB GLN 48 3HB GLN 48 -23.765 12.525 -18.145 364 1HG GLN 48 2HG GLN 48 -25.774 13.261 -19.642 365 2HG GLN 48 3HG GLN 48 -25.146 12.029 -20.735 366 1HE2 GLN 48 1HE2 GLN 48 -26.425 12.624 -17.530 367 2HE2 GLN 48 2HE2 GLN 48 -26.926 11.000 -17.220 368 H LYS 49 H LYS 49 -22.065 15.198 -17.679 369 HA LYS 49 HA LYS 49 -19.399 14.675 -18.802 370 1HB LYS 49 2HB LYS 49 -20.302 16.729 -16.775 371 2HB LYS 49 3HB LYS 49 -18.639 16.506 -17.302 372 1HG LYS 49 2HG LYS 49 -19.130 18.122 -18.767 373 2HG LYS 49 3HG LYS 49 -19.892 16.820 -19.683 374 1HD LYS 49 2HD LYS 49 -21.785 17.992 -19.572 375 2HD LYS 49 3HD LYS 49 -21.828 17.608 -17.849 376 1HE LYS 49 2HE LYS 49 -20.080 19.855 -18.562 377 2HE LYS 49 3HE LYS 49 -21.791 20.125 -18.889 378 1HZ LYS 49 1HZ LYS 49 -20.452 19.638 -16.315 379 2HZ LYS 49 2HZ LYS 49 -22.082 19.224 -16.499 380 3HZ LYS 49 3HZ LYS 49 -21.586 20.825 -16.724 381 H TYR 50 H TYR 50 -18.013 13.372 -17.779 382 HA TYR 50 HA TYR 50 -18.381 12.798 -14.939 383 1HB TYR 50 2HB TYR 50 -18.566 10.784 -17.157 384 2HB TYR 50 3HB TYR 50 -17.965 10.304 -15.574 385 HD1 TYR 50 HD1 TYR 50 -20.878 11.891 -17.260 386 HD2 TYR 50 HD2 TYR 50 -19.460 9.761 -13.861 387 HE1 TYR 50 HE1 TYR 50 -23.192 11.620 -16.473 388 HE2 TYR 50 HE2 TYR 50 -21.771 9.482 -13.065 389 HH TYR 50 HH TYR 50 -24.075 9.456 -14.074 390 H PHE 51 H PHE 51 -16.520 11.969 -13.904 391 HA PHE 51 HA PHE 51 -14.045 12.501 -15.390 392 1HB PHE 51 2HB PHE 51 -14.612 12.451 -12.421 393 2HB PHE 51 3HB PHE 51 -13.008 12.668 -13.113 394 HD1 PHE 51 HD1 PHE 51 -16.434 14.121 -13.321 395 HD2 PHE 51 HD2 PHE 51 -12.236 14.807 -13.444 396 HE1 PHE 51 HE1 PHE 51 -16.838 16.543 -13.481 397 HE2 PHE 51 HE2 PHE 51 -12.632 17.230 -13.603 398 HZ PHE 51 HZ PHE 51 -14.936 18.101 -13.621 399 H ARG 52 H ARG 52 -12.628 10.925 -15.811 400 HA ARG 52 HA ARG 52 -12.885 8.378 -14.363 401 1HB ARG 52 2HB ARG 52 -12.466 8.669 -17.344 402 2HB ARG 52 3HB ARG 52 -12.518 7.154 -16.452 403 1HG ARG 52 2HG ARG 52 -14.881 7.986 -15.729 404 2HG ARG 52 3HG ARG 52 -14.736 9.016 -17.156 405 1HD ARG 52 2HD ARG 52 -14.399 6.019 -17.146 406 2HD ARG 52 3HD ARG 52 -15.876 6.864 -17.609 407 HE ARG 52 HE ARG 52 -13.528 7.672 -19.075 408 1HH1 ARG 52 2HH1 ARG 52 -16.220 5.470 -18.919 409 2HH1 ARG 52 1HH1 ARG 52 -16.209 5.131 -20.618 410 1HH2 ARG 52 2HH2 ARG 52 -13.503 7.233 -21.313 411 2HH2 ARG 52 1HH2 ARG 52 -14.663 6.134 -21.979 412 H ILE 53 H ILE 53 -11.007 7.436 -13.767 413 HA ILE 53 HA ILE 53 -8.510 8.668 -14.736 414 HB ILE 53 HB ILE 53 -7.581 8.714 -12.634 415 1HG1 ILE 53 2HG1 ILE 53 -8.867 7.381 -10.721 416 2HG1 ILE 53 3HG1 ILE 53 -9.403 6.416 -12.092 417 1HG2 ILE 53 1HG2 ILE 53 -8.963 10.029 -11.387 418 2HG2 ILE 53 2HG2 ILE 53 -9.870 10.013 -12.899 419 3HG2 ILE 53 3HG2 ILE 53 -10.344 8.949 -11.575 420 1HD1 ILE 53 1HD1 ILE 53 -6.564 6.882 -12.202 421 2HD1 ILE 53 2HD1 ILE 53 -7.038 6.144 -10.672 422 3HD1 ILE 53 3HD1 ILE 53 -7.461 5.364 -12.195 423 H LEU 54 H LEU 54 -6.897 7.333 -15.366 424 HA LEU 54 HA LEU 54 -7.378 4.438 -15.104 425 1HB LEU 54 2HB LEU 54 -7.262 5.853 -17.417 426 2HB LEU 54 3HB LEU 54 -5.581 5.356 -17.241 427 HG LEU 54 HG LEU 54 -8.016 3.665 -17.666 428 1HD1 LEU 54 1HD1 LEU 54 -5.868 4.566 -19.252 429 2HD1 LEU 54 2HD1 LEU 54 -7.151 3.439 -19.692 430 3HD1 LEU 54 3HD1 LEU 54 -5.641 2.833 -19.011 431 1HD2 LEU 54 1HD2 LEU 54 -6.160 1.788 -17.311 432 2HD2 LEU 54 2HD2 LEU 54 -7.210 2.343 -16.007 433 3HD2 LEU 54 3HD2 LEU 54 -5.568 2.975 -16.148 434 H PHE 55 H PHE 55 -5.987 3.443 -13.820 435 HA PHE 55 HA PHE 55 -3.219 4.442 -13.694 436 1HB PHE 55 2HB PHE 55 -3.905 5.066 -11.590 437 2HB PHE 55 3HB PHE 55 -5.120 3.796 -11.492 438 HD1 PHE 55 HD1 PHE 55 -4.706 2.528 -9.621 439 HD2 PHE 55 HD2 PHE 55 -1.441 3.695 -12.090 440 HE1 PHE 55 HE1 PHE 55 -3.182 1.178 -8.239 441 HE2 PHE 55 HE2 PHE 55 0.087 2.347 -10.712 442 HZ PHE 55 HZ PHE 55 -0.783 1.086 -8.784 443 H GLN 56 H GLN 56 -1.837 2.981 -14.424 444 HA GLN 56 HA GLN 56 -2.322 0.146 -13.838 445 1HB GLN 56 2HB GLN 56 -1.681 -0.501 -16.086 446 2HB GLN 56 3HB GLN 56 -3.050 0.601 -16.154 447 1HG GLN 56 2HG GLN 56 -0.236 1.577 -16.472 448 2HG GLN 56 3HG GLN 56 -1.154 0.928 -17.830 449 1HE2 GLN 56 1HE2 GLN 56 -0.253 3.476 -17.939 450 2HE2 GLN 56 2HE2 GLN 56 -1.569 4.586 -17.800 451 H SER 57 H SER 57 -0.443 -1.161 -13.748 452 HA SER 57 HA SER 57 1.879 0.267 -12.818 453 1HB SER 57 2HB SER 57 1.017 -1.836 -11.747 454 2HB SER 57 3HB SER 57 1.547 -2.719 -13.178 455 HG SER 57 HG SER 57 3.155 -1.259 -11.355 456 H LYS 58 H LYS 58 4.067 -0.949 -13.525 457 HA LYS 58 HA LYS 58 4.586 -0.088 -16.153 458 1HB LYS 58 2HB LYS 58 6.369 -0.142 -14.543 459 2HB LYS 58 3HB LYS 58 6.158 -1.869 -14.288 460 1HG LYS 58 2HG LYS 58 8.106 -1.501 -15.635 461 2HG LYS 58 3HG LYS 58 6.859 -2.262 -16.625 462 1HD LYS 58 2HD LYS 58 7.785 -0.553 -17.963 463 2HD LYS 58 3HD LYS 58 6.239 0.076 -17.390 464 1HE LYS 58 2HE LYS 58 7.212 1.660 -16.092 465 2HE LYS 58 3HE LYS 58 8.600 0.644 -15.705 466 1HZ LYS 58 1HZ LYS 58 8.959 1.086 -18.323 467 2HZ LYS 58 2HZ LYS 58 9.667 2.011 -17.098 468 3HZ LYS 58 3HZ LYS 58 8.251 2.548 -17.850 469 H LYS 59 H LYS 59 4.362 -3.381 -14.811 470 HA LYS 59 HA LYS 59 4.511 -4.590 -17.415 471 1HB LYS 59 2HB LYS 59 3.749 -5.825 -14.762 472 2HB LYS 59 3HB LYS 59 4.171 -6.700 -16.228 473 1HG LYS 59 2HG LYS 59 6.180 -4.772 -15.274 474 2HG LYS 59 3HG LYS 59 5.900 -6.173 -14.237 475 1HD LYS 59 2HD LYS 59 7.648 -6.757 -15.741 476 2HD LYS 59 3HD LYS 59 6.200 -7.612 -16.278 477 1HE LYS 59 2HE LYS 59 5.884 -6.160 -18.093 478 2HE LYS 59 3HE LYS 59 6.972 -4.945 -17.422 479 1HZ LYS 59 1HZ LYS 59 7.573 -7.291 -18.999 480 2HZ LYS 59 2HZ LYS 59 8.599 -7.060 -17.674 481 3HZ LYS 59 3HZ LYS 59 8.434 -5.843 -18.838 482 H LEU 60 H LEU 60 1.989 -3.668 -15.174 483 HA LEU 60 HA LEU 60 -0.293 -4.084 -15.212 484 1HB LEU 60 2HB LEU 60 -1.230 -3.070 -17.378 485 2HB LEU 60 3HB LEU 60 -0.285 -2.043 -16.302 486 HG LEU 60 HG LEU 60 1.688 -2.727 -17.896 487 1HD1 LEU 60 1HD1 LEU 60 0.546 -4.328 -19.245 488 2HD1 LEU 60 2HD1 LEU 60 0.852 -2.906 -20.241 489 3HD1 LEU 60 3HD1 LEU 60 -0.761 -3.193 -19.586 490 1HD2 LEU 60 1HD2 LEU 60 1.485 -0.664 -18.893 491 2HD2 LEU 60 2HD2 LEU 60 0.432 -0.472 -17.492 492 3HD2 LEU 60 3HD2 LEU 60 -0.263 -0.804 -19.079 493 H SER 61 H SER 61 0.793 -6.508 -15.629 494 HA SER 61 HA SER 61 -0.483 -7.624 -18.021 495 1HB SER 61 2HB SER 61 0.821 -9.667 -17.502 496 2HB SER 61 3HB SER 61 1.853 -8.249 -17.686 497 HG SER 61 HG SER 61 2.568 -8.737 -15.780 498 H GLU 62 H GLU 62 -1.915 -9.383 -17.896 499 HA GLU 62 HA GLU 62 -3.704 -9.295 -15.682 500 1HB GLU 62 2HB GLU 62 -4.595 -9.723 -17.870 501 2HB GLU 62 3HB GLU 62 -3.544 -11.116 -18.084 502 1HG GLU 62 2HG GLU 62 -4.739 -12.357 -16.427 503 2HG GLU 62 3HG GLU 62 -5.694 -10.941 -15.990 504 H LEU 63 H LEU 63 -0.892 -11.108 -16.377 505 HA LEU 63 HA LEU 63 -1.316 -13.535 -15.140 506 1HB LEU 63 2HB LEU 63 1.203 -11.898 -14.923 507 2HB LEU 63 3HB LEU 63 1.061 -13.648 -14.781 508 HG LEU 63 HG LEU 63 0.712 -11.993 -17.277 509 1HD1 LEU 63 1HD1 LEU 63 2.829 -13.831 -16.237 510 2HD1 LEU 63 2HD1 LEU 63 2.992 -12.232 -16.963 511 3HD1 LEU 63 3HD1 LEU 63 2.596 -13.623 -17.973 512 1HD2 LEU 63 1HD2 LEU 63 -0.827 -13.646 -17.667 513 2HD2 LEU 63 2HD2 LEU 63 0.006 -14.818 -16.647 514 3HD2 LEU 63 3HD2 LEU 63 0.642 -14.431 -18.246 515 H HIS 64 H HIS 64 -0.261 -14.206 -12.998 516 HA HIS 64 HA HIS 64 -0.255 -14.159 -10.723 517 1HB HIS 64 2HB HIS 64 -0.296 -11.147 -10.915 518 2HB HIS 64 3HB HIS 64 0.331 -12.136 -9.600 519 HD1 HIS 64 HD1 HIS 64 1.237 -10.708 -12.898 520 HD2 HIS 64 HD2 HIS 64 2.861 -13.322 -10.107 521 HE1 HIS 64 HE1 HIS 64 3.652 -10.968 -13.547 522 HA PRO 65 HA PRO 65 -4.816 -13.481 -10.763 523 1HB PRO 65 2HB PRO 65 -5.402 -15.908 -9.698 524 2HB PRO 65 3HB PRO 65 -5.156 -15.653 -11.430 525 1HG PRO 65 2HG PRO 65 -3.249 -16.718 -9.382 526 2HG PRO 65 3HG PRO 65 -3.558 -17.294 -11.030 527 1HD PRO 65 2HD PRO 65 -1.423 -15.751 -10.402 528 2HD PRO 65 3HD PRO 65 -2.229 -15.670 -11.982 529 H GLU 66 H GLU 66 -2.593 -14.641 -8.300 530 HA GLU 66 HA GLU 66 -4.384 -14.174 -6.110 531 1HB GLU 66 2HB GLU 66 -2.302 -15.759 -6.273 532 2HB GLU 66 3HB GLU 66 -1.410 -14.325 -5.786 533 1HG GLU 66 2HG GLU 66 -3.279 -14.251 -3.913 534 2HG GLU 66 3HG GLU 66 -3.330 -15.980 -4.253 535 H GLU 67 H GLU 67 -2.001 -12.320 -7.841 536 HA GLU 67 HA GLU 67 -1.730 -10.264 -5.867 537 1HB GLU 67 2HB GLU 67 -1.016 -10.338 -8.801 538 2HB GLU 67 3HB GLU 67 -0.627 -9.002 -7.727 539 1HG GLU 67 2HG GLU 67 0.266 -11.802 -7.147 540 2HG GLU 67 3HG GLU 67 1.190 -10.724 -8.192 541 H ARG 68 H ARG 68 -3.833 -10.861 -8.587 542 HA ARG 68 HA ARG 68 -4.829 -8.343 -9.118 543 1HB ARG 68 2HB ARG 68 -6.083 -11.071 -9.198 544 2HB ARG 68 3HB ARG 68 -7.026 -9.640 -9.594 545 1HG ARG 68 2HG ARG 68 -5.016 -9.147 -11.205 546 2HG ARG 68 3HG ARG 68 -4.760 -10.887 -11.061 547 1HD ARG 68 2HD ARG 68 -6.802 -11.396 -12.038 548 2HD ARG 68 3HD ARG 68 -7.481 -9.809 -11.677 549 HE ARG 68 HE ARG 68 -5.897 -10.544 -13.970 550 1HH1 ARG 68 2HH1 ARG 68 -7.021 -7.936 -11.956 551 2HH1 ARG 68 1HH1 ARG 68 -6.817 -6.729 -13.182 552 1HH2 ARG 68 2HH2 ARG 68 -5.624 -8.964 -15.592 553 2HH2 ARG 68 1HH2 ARG 68 -6.024 -7.314 -15.250 554 H LYS 69 H LYS 69 -6.063 -10.681 -6.730 555 HA LYS 69 HA LYS 69 -8.061 -8.992 -5.681 556 1HB LYS 69 2HB LYS 69 -8.023 -10.560 -3.731 557 2HB LYS 69 3HB LYS 69 -8.197 -11.354 -5.290 558 1HG LYS 69 2HG LYS 69 -5.871 -11.994 -5.272 559 2HG LYS 69 3HG LYS 69 -5.609 -11.101 -3.772 560 1HD LYS 69 2HD LYS 69 -7.592 -13.353 -4.007 561 2HD LYS 69 3HD LYS 69 -5.907 -13.606 -3.546 562 1HE LYS 69 2HE LYS 69 -6.255 -11.970 -1.689 563 2HE LYS 69 3HE LYS 69 -7.968 -11.943 -2.104 564 1HZ LYS 69 1HZ LYS 69 -7.881 -13.516 -0.448 565 2HZ LYS 69 2HZ LYS 69 -6.380 -14.126 -0.933 566 3HZ LYS 69 3HZ LYS 69 -7.769 -14.490 -1.827 567 H LYS 70 H LYS 70 -4.672 -9.460 -4.864 568 HA LYS 70 HA LYS 70 -4.627 -8.062 -2.434 569 1HB LYS 70 2HB LYS 70 -2.795 -9.510 -3.453 570 2HB LYS 70 3HB LYS 70 -2.366 -8.111 -4.429 571 1HG LYS 70 2HG LYS 70 -1.529 -6.948 -2.650 572 2HG LYS 70 3HG LYS 70 -2.564 -7.773 -1.482 573 1HD LYS 70 2HD LYS 70 -0.307 -9.133 -2.943 574 2HD LYS 70 3HD LYS 70 -0.113 -8.354 -1.371 575 1HE LYS 70 2HE LYS 70 -2.127 -9.844 -0.681 576 2HE LYS 70 3HE LYS 70 -1.686 -10.794 -2.099 577 1HZ LYS 70 1HZ LYS 70 -0.371 -11.821 -0.607 578 2HZ LYS 70 2HZ LYS 70 -0.297 -10.493 0.437 579 3HZ LYS 70 3HZ LYS 70 0.684 -10.542 -0.940 580 H VAL 71 H VAL 71 -3.834 -6.915 -5.716 581 HA VAL 71 HA VAL 71 -3.461 -4.216 -4.968 582 HB VAL 71 HB VAL 71 -3.656 -3.709 -7.376 583 1HG1 VAL 71 1HG1 VAL 71 -1.701 -4.885 -8.071 584 2HG1 VAL 71 2HG1 VAL 71 -1.555 -4.594 -6.337 585 3HG1 VAL 71 3HG1 VAL 71 -2.010 -6.192 -6.929 586 1HG2 VAL 71 1HG2 VAL 71 -5.433 -5.287 -7.933 587 2HG2 VAL 71 2HG2 VAL 71 -4.031 -5.520 -8.978 588 3HG2 VAL 71 3HG2 VAL 71 -4.335 -6.637 -7.648 589 H ARG 72 H ARG 72 -6.277 -6.063 -5.937 590 HA ARG 72 HA ARG 72 -8.026 -3.946 -6.498 591 1HB ARG 72 2HB ARG 72 -8.407 -6.785 -5.615 592 2HB ARG 72 3HB ARG 72 -9.790 -5.703 -5.699 593 1HG ARG 72 2HG ARG 72 -7.939 -6.108 -8.025 594 2HG ARG 72 3HG ARG 72 -9.327 -7.157 -7.725 595 1HD ARG 72 2HD ARG 72 -9.398 -4.171 -8.145 596 2HD ARG 72 3HD ARG 72 -9.901 -5.399 -9.306 597 HE ARG 72 HE ARG 72 -11.431 -4.374 -7.140 598 1HH1 ARG 72 2HH1 ARG 72 -10.819 -7.258 -8.991 599 2HH1 ARG 72 1HH1 ARG 72 -12.384 -7.939 -8.694 600 1HH2 ARG 72 2HH2 ARG 72 -13.496 -5.259 -6.742 601 2HH2 ARG 72 1HH2 ARG 72 -13.906 -6.800 -7.415 602 H GLU 73 H GLU 73 -7.489 -5.727 -3.463 603 HA GLU 73 HA GLU 73 -9.291 -4.116 -1.955 604 1HB GLU 73 2HB GLU 73 -8.374 -5.262 -0.002 605 2HB GLU 73 3HB GLU 73 -8.732 -6.407 -1.287 606 1HG GLU 73 2HG GLU 73 -6.394 -6.533 -1.878 607 2HG GLU 73 3HG GLU 73 -6.000 -5.303 -0.678 608 H LYS 74 H LYS 74 -5.849 -4.015 -2.615 609 HA LYS 74 HA LYS 74 -5.072 -2.180 -0.645 610 1HB LYS 74 2HB LYS 74 -3.745 -3.579 -2.522 611 2HB LYS 74 3HB LYS 74 -3.759 -2.002 -3.300 612 1HG LYS 74 2HG LYS 74 -2.646 -2.657 -0.581 613 2HG LYS 74 3HG LYS 74 -1.729 -2.269 -2.038 614 1HD LYS 74 2HD LYS 74 -3.666 -0.406 -0.664 615 2HD LYS 74 3HD LYS 74 -1.911 -0.360 -0.476 616 1HE LYS 74 2HE LYS 74 -2.034 -0.261 -3.134 617 2HE LYS 74 3HE LYS 74 -3.607 0.449 -2.773 618 1HZ LYS 74 1HZ LYS 74 -2.277 2.290 -2.778 619 2HZ LYS 74 2HZ LYS 74 -0.924 1.475 -2.174 620 3HZ LYS 74 3HZ LYS 74 -2.197 1.883 -1.137 621 H PHE 75 H PHE 75 -5.958 -1.592 -4.048 622 HA PHE 75 HA PHE 75 -5.892 1.243 -3.774 623 1HB PHE 75 2HB PHE 75 -6.158 1.258 -6.015 624 2HB PHE 75 3HB PHE 75 -5.916 -0.482 -5.900 625 HD1 PHE 75 HD1 PHE 75 -8.380 2.192 -6.324 626 HD2 PHE 75 HD2 PHE 75 -7.745 -2.014 -6.181 627 HE1 PHE 75 HE1 PHE 75 -10.616 1.826 -7.285 628 HE2 PHE 75 HE2 PHE 75 -9.979 -2.387 -7.142 629 HZ PHE 75 HZ PHE 75 -11.417 -0.467 -7.696 630 H ASP 76 H ASP 76 -8.392 -1.206 -3.526 631 HA ASP 76 HA ASP 76 -10.627 0.513 -3.557 632 1HB ASP 76 2HB ASP 76 -10.900 -1.872 -3.884 633 2HB ASP 76 3HB ASP 76 -10.252 -2.203 -2.280 634 H GLU 77 H GLU 77 -8.780 -0.872 -0.848 635 HA GLU 77 HA GLU 77 -10.272 0.442 1.172 636 1HB GLU 77 2HB GLU 77 -7.545 -0.841 1.146 637 2HB GLU 77 3HB GLU 77 -8.219 -0.103 2.592 638 1HG GLU 77 2HG GLU 77 -10.165 -1.634 2.395 639 2HG GLU 77 3HG GLU 77 -9.341 -2.433 1.056 640 H ASN 78 H ASN 78 -7.135 1.163 -0.337 641 HA ASN 78 HA ASN 78 -6.516 3.447 1.139 642 1HB ASN 78 2HB ASN 78 -4.976 2.217 -0.423 643 2HB ASN 78 3HB ASN 78 -5.819 2.984 -1.766 644 1HD2 ASN 78 1HD2 ASN 78 -5.093 4.873 -2.448 645 2HD2 ASN 78 2HD2 ASN 78 -3.995 5.899 -1.595 646 H SER 79 H SER 79 -8.605 3.008 -1.637 647 HA SER 79 HA SER 79 -8.938 5.809 -2.152 648 1HB SER 79 2HB SER 79 -10.540 5.151 -3.804 649 2HB SER 79 3HB SER 79 -9.236 3.965 -3.860 650 HG SER 79 HG SER 79 -11.853 3.597 -3.322 651 H ARG 80 H ARG 80 -10.760 3.317 -0.438 652 HA ARG 80 HA ARG 80 -12.920 5.113 0.213 653 1HB ARG 80 2HB ARG 80 -13.996 3.281 1.129 654 2HB ARG 80 3HB ARG 80 -12.978 2.519 -0.086 655 1HG ARG 80 2HG ARG 80 -12.409 1.157 1.598 656 2HG ARG 80 3HG ARG 80 -11.324 2.474 2.051 657 1HD ARG 80 2HD ARG 80 -12.574 3.064 3.845 658 2HD ARG 80 3HD ARG 80 -14.095 2.663 3.050 659 HE ARG 80 HE ARG 80 -12.965 0.243 3.475 660 1HH1 ARG 80 2HH1 ARG 80 -13.619 2.974 5.533 661 2HH1 ARG 80 1HH1 ARG 80 -13.838 2.014 6.958 662 1HH2 ARG 80 2HH2 ARG 80 -13.251 -1.032 5.345 663 2HH2 ARG 80 1HH2 ARG 80 -13.628 -0.265 6.850 664 H MET 81 H MET 81 -9.830 4.668 1.380 665 HA MET 81 HA MET 81 -9.848 4.659 4.080 666 1HB MET 81 2HB MET 81 -8.194 6.088 2.073 667 2HB MET 81 3HB MET 81 -8.044 6.622 3.742 668 1HG MET 81 2HG MET 81 -7.699 3.775 2.833 669 2HG MET 81 3HG MET 81 -6.378 4.920 3.061 670 1HE MET 81 1HE MET 81 -8.387 2.215 5.844 671 2HE MET 81 2HE MET 81 -8.088 2.218 4.106 672 3HE MET 81 3HE MET 81 -6.765 1.895 5.228 673 H GLN 82 H GLN 82 -10.115 6.141 5.762 674 HA GLN 82 HA GLN 82 -12.254 7.951 5.485 675 1HB GLN 82 2HB GLN 82 -10.216 7.812 7.712 676 2HB GLN 82 3HB GLN 82 -11.797 8.576 7.797 677 1HG GLN 82 2HG GLN 82 -12.796 6.320 7.330 678 2HG GLN 82 3HG GLN 82 -11.182 5.647 7.547 679 1HE2 GLN 82 1HE2 GLN 82 -13.795 7.369 9.119 680 2HE2 GLN 82 2HE2 GLN 82 -13.351 6.955 10.736 681 H TYR 83 H TYR 83 -12.202 10.271 5.993 682 HA TYR 83 HA TYR 83 -10.516 11.683 4.265 683 1HB TYR 83 2HB TYR 83 -12.706 12.276 6.007 684 2HB TYR 83 3HB TYR 83 -11.441 13.472 6.268 685 HD1 TYR 83 HD1 TYR 83 -14.360 13.227 4.704 686 HD2 TYR 83 HD2 TYR 83 -10.288 13.894 3.664 687 HE1 TYR 83 HE1 TYR 83 -15.079 14.421 2.677 688 HE2 TYR 83 HE2 TYR 83 -10.996 15.090 1.635 689 HH TYR 83 HH TYR 83 -12.800 15.416 0.225 690 H SER 84 H SER 84 -10.262 10.989 7.697 691 HA SER 84 HA SER 84 -8.303 12.784 8.462 692 1HB SER 84 2HB SER 84 -8.227 9.945 9.439 693 2HB SER 84 3HB SER 84 -7.957 11.436 10.340 694 HG SER 84 HG SER 84 -10.123 11.822 10.358 695 H GLU 85 H GLU 85 -7.841 9.500 7.160 696 HA GLU 85 HA GLU 85 -4.993 9.805 7.001 697 1HB GLU 85 2HB GLU 85 -6.563 7.642 7.160 698 2HB GLU 85 3HB GLU 85 -6.373 7.707 5.413 699 1HG GLU 85 2HG GLU 85 -4.667 6.300 6.111 700 2HG GLU 85 3HG GLU 85 -3.864 7.852 5.873 701 H LEU 86 H LEU 86 -7.700 10.240 4.839 702 HA LEU 86 HA LEU 86 -6.321 10.258 2.394 703 1HB LEU 86 2HB LEU 86 -8.931 10.561 3.200 704 2HB LEU 86 3HB LEU 86 -8.532 12.155 2.564 705 HG LEU 86 HG LEU 86 -9.593 10.772 0.867 706 1HD1 LEU 86 1HD1 LEU 86 -8.352 11.896 -0.582 707 2HD1 LEU 86 2HD1 LEU 86 -7.085 10.677 -0.444 708 3HD1 LEU 86 3HD1 LEU 86 -7.080 12.078 0.627 709 1HD2 LEU 86 1HD2 LEU 86 -9.031 8.649 0.385 710 2HD2 LEU 86 2HD2 LEU 86 -8.316 8.671 1.998 711 3HD2 LEU 86 3HD2 LEU 86 -7.304 8.949 0.580 712 H MET 87 H MET 87 -7.019 12.845 4.706 713 HA MET 87 HA MET 87 -5.682 14.829 3.085 714 1HB MET 87 2HB MET 87 -7.393 14.811 5.436 715 2HB MET 87 3HB MET 87 -6.030 15.904 5.628 716 1HG MET 87 2HG MET 87 -8.014 17.014 4.712 717 2HG MET 87 3HG MET 87 -6.632 17.085 3.622 718 1HE MET 87 1HE MET 87 -6.741 16.866 1.465 719 2HE MET 87 2HE MET 87 -6.613 15.119 1.260 720 3HE MET 87 3HE MET 87 -7.898 16.011 0.444 721 H THR 88 H THR 88 -4.945 12.773 5.803 722 HA THR 88 HA THR 88 -2.602 14.131 6.660 723 HB THR 88 HB THR 88 -3.538 11.291 7.070 724 HG1 THR 88 HG1 THR 88 -4.611 12.239 8.616 725 1HG2 THR 88 1HG2 THR 88 -1.108 12.681 8.201 726 2HG2 THR 88 2HG2 THR 88 -1.133 11.238 7.187 727 3HG2 THR 88 3HG2 THR 88 -1.775 11.174 8.828 728 H LYS 89 H LYS 89 -3.099 11.248 4.632 729 HA LYS 89 HA LYS 89 -0.342 10.894 4.048 730 1HB LYS 89 2HB LYS 89 -2.665 9.430 3.655 731 2HB LYS 89 3HB LYS 89 -2.166 9.855 2.023 732 1HG LYS 89 2HG LYS 89 -1.043 7.892 2.290 733 2HG LYS 89 3HG LYS 89 0.179 9.024 2.876 734 1HD LYS 89 2HD LYS 89 -1.741 8.023 4.885 735 2HD LYS 89 3HD LYS 89 -0.603 6.839 4.239 736 1HE LYS 89 2HE LYS 89 0.214 9.517 5.352 737 2HE LYS 89 3HE LYS 89 0.164 8.035 6.306 738 1HZ LYS 89 1HZ LYS 89 1.677 8.045 3.792 739 2HZ LYS 89 2HZ LYS 89 1.946 7.156 5.206 740 3HZ LYS 89 3HZ LYS 89 2.355 8.797 5.147 741 H TYR 90 H TYR 90 -2.515 13.221 3.056 742 HA TYR 90 HA TYR 90 -1.215 13.622 0.458 743 1HB TYR 90 2HB TYR 90 -3.548 13.725 0.192 744 2HB TYR 90 3HB TYR 90 -3.767 14.653 1.671 745 HD1 TYR 90 HD1 TYR 90 -1.451 15.240 -1.191 746 HD2 TYR 90 HD2 TYR 90 -4.812 16.626 1.019 747 HE1 TYR 90 HE1 TYR 90 -1.447 17.320 -2.502 748 HE2 TYR 90 HE2 TYR 90 -4.819 18.710 -0.287 749 HH TYR 90 HH TYR 90 -2.983 20.052 -1.619 750 H HIS 91 H HIS 91 -1.956 15.317 3.481 751 HA HIS 91 HA HIS 91 -0.220 17.531 2.707 752 1HB HIS 91 2HB HIS 91 -2.279 18.220 3.706 753 2HB HIS 91 3HB HIS 91 -2.072 17.104 5.052 754 HD1 HIS 91 HD1 HIS 91 -1.013 18.035 7.100 755 HD2 HIS 91 HD2 HIS 91 -0.311 20.402 3.759 756 HE1 HIS 91 HE1 HIS 91 0.151 20.090 7.964 757 H ASP 92 H ASP 92 -0.581 15.343 5.501 758 HA ASP 92 HA ASP 92 1.790 16.011 6.793 759 1HB ASP 92 2HB ASP 92 -0.271 14.211 7.223 760 2HB ASP 92 3HB ASP 92 1.139 13.175 7.017 761 H LEU 93 H LEU 93 1.288 14.211 3.915 762 HA LEU 93 HA LEU 93 3.643 12.636 3.952 763 1HB LEU 93 2HB LEU 93 1.443 13.041 2.234 764 2HB LEU 93 3HB LEU 93 2.895 13.347 1.283 765 HG LEU 93 HG LEU 93 2.042 10.806 2.639 766 1HD1 LEU 93 1HD1 LEU 93 1.545 10.142 0.582 767 2HD1 LEU 93 2HD1 LEU 93 3.137 10.610 -0.014 768 3HD1 LEU 93 3HD1 LEU 93 1.831 11.794 0.035 769 1HD2 LEU 93 1HD2 LEU 93 4.758 11.796 2.150 770 2HD2 LEU 93 2HD2 LEU 93 4.429 10.196 1.486 771 3HD2 LEU 93 3HD2 LEU 93 4.191 10.503 3.207 772 H LYS 94 H LYS 94 3.235 15.940 3.745 773 HA LYS 94 HA LYS 94 4.927 16.925 1.861 774 1HB LYS 94 2HB LYS 94 3.831 17.858 4.302 775 2HB LYS 94 3HB LYS 94 5.542 18.262 4.322 776 1HG LYS 94 2HG LYS 94 4.793 20.110 3.270 777 2HG LYS 94 3HG LYS 94 4.954 19.074 1.850 778 1HD LYS 94 2HD LYS 94 2.412 19.409 3.440 779 2HD LYS 94 3HD LYS 94 2.789 20.297 1.962 780 1HE LYS 94 2HE LYS 94 2.723 17.291 2.128 781 2HE LYS 94 3HE LYS 94 1.331 18.269 1.665 782 1HZ LYS 94 1HZ LYS 94 2.602 19.144 -0.189 783 2HZ LYS 94 2HZ LYS 94 2.533 17.456 -0.268 784 3HZ LYS 94 3HZ LYS 94 3.947 18.220 0.259 785 H LYS 95 H LYS 95 5.837 15.404 4.912 786 HA LYS 95 HA LYS 95 8.537 15.954 4.995 787 1HB LYS 95 2HB LYS 95 6.943 14.514 6.551 788 2HB LYS 95 3HB LYS 95 7.648 13.181 5.647 789 1HG LYS 95 2HG LYS 95 8.906 13.483 7.650 790 2HG LYS 95 3HG LYS 95 9.899 14.011 6.290 791 1HD LYS 95 2HD LYS 95 8.572 16.309 7.023 792 2HD LYS 95 3HD LYS 95 8.888 15.521 8.571 793 1HE LYS 95 2HE LYS 95 10.990 15.970 6.459 794 2HE LYS 95 3HE LYS 95 10.680 17.094 7.782 795 1HZ LYS 95 1HZ LYS 95 11.007 14.988 9.231 796 2HZ LYS 95 2HZ LYS 95 12.360 15.806 8.630 797 3HZ LYS 95 3HZ LYS 95 11.826 14.388 7.878 798 H GLN 96 H GLN 96 6.972 13.185 3.387 799 HA GLN 96 HA GLN 96 9.378 12.208 2.239 800 1HB GLN 96 2HB GLN 96 6.555 11.700 1.291 801 2HB GLN 96 3HB GLN 96 7.970 10.702 0.984 802 1HG GLN 96 2HG GLN 96 6.758 11.197 3.694 803 2HG GLN 96 3HG GLN 96 6.488 9.765 2.702 804 1HE2 GLN 96 1HE2 GLN 96 7.905 10.497 5.365 805 2HE2 GLN 96 2HE2 GLN 96 9.383 9.609 5.265 806 H GLY 97 H GLY 97 6.992 14.548 1.244 807 1HA GLY 97 2HA GLY 97 8.416 16.026 -0.472 808 2HA GLY 97 3HA GLY 97 7.992 14.651 -1.482 809 H LYS 98 H LYS 98 6.989 16.500 -2.710 810 HA LYS 98 HA LYS 98 4.338 17.183 -1.635 811 1HB LYS 98 2HB LYS 98 4.314 19.041 -3.192 812 2HB LYS 98 3HB LYS 98 5.791 19.091 -2.238 813 1HG LYS 98 2HG LYS 98 7.105 18.821 -4.029 814 2HG LYS 98 3HG LYS 98 6.034 17.623 -4.760 815 1HD LYS 98 2HD LYS 98 5.206 19.158 -6.140 816 2HD LYS 98 3HD LYS 98 4.747 20.179 -4.775 817 1HE LYS 98 2HE LYS 98 7.612 20.185 -5.436 818 2HE LYS 98 3HE LYS 98 6.559 20.865 -6.675 819 1HZ LYS 98 1HZ LYS 98 6.734 21.714 -3.836 820 2HZ LYS 98 2HZ LYS 98 5.591 22.301 -4.936 821 3HZ LYS 98 3HZ LYS 98 7.238 22.594 -5.190 822 H ILE 99 H ILE 99 2.989 17.820 -3.909 823 HA ILE 99 HA ILE 99 2.978 15.315 -5.460 824 HB ILE 99 HB ILE 99 0.564 15.378 -5.570 825 1HG1 ILE 99 2HG1 ILE 99 0.255 17.488 -3.528 826 2HG1 ILE 99 3HG1 ILE 99 0.772 18.051 -5.113 827 1HG2 ILE 99 1HG2 ILE 99 1.461 14.142 -3.731 828 2HG2 ILE 99 2HG2 ILE 99 1.647 15.607 -2.770 829 3HG2 ILE 99 3HG2 ILE 99 0.035 15.009 -3.160 830 1HD1 ILE 99 1HD1 ILE 99 -1.173 17.203 -6.146 831 2HD1 ILE 99 2HD1 ILE 99 -1.624 16.290 -4.706 832 3HD1 ILE 99 3HD1 ILE 99 -1.702 18.051 -4.693 833 H LYS 100 H LYS 100 1.647 15.585 -7.531 834 HA LYS 100 HA LYS 100 2.144 18.243 -8.698 835 1HB LYS 100 2HB LYS 100 2.413 15.650 -10.215 836 2HB LYS 100 3HB LYS 100 2.904 17.258 -10.732 837 1HG LYS 100 2HG LYS 100 4.337 16.905 -8.420 838 2HG LYS 100 3HG LYS 100 4.328 15.289 -9.130 839 1HD LYS 100 2HD LYS 100 6.203 16.246 -10.098 840 2HD LYS 100 3HD LYS 100 4.963 16.527 -11.323 841 1HE LYS 100 2HE LYS 100 4.749 18.791 -10.741 842 2HE LYS 100 3HE LYS 100 5.579 18.562 -9.203 843 1HZ LYS 100 1HZ LYS 100 7.486 19.056 -10.180 844 2HZ LYS 100 2HZ LYS 100 6.681 19.334 -11.640 845 3HZ LYS 100 3HZ LYS 100 7.294 17.796 -11.293 846 H ASP 101 H ASP 101 0.582 19.072 -10.014 847 HA ASP 101 HA ASP 101 -1.893 17.494 -10.237 848 1HB ASP 101 2HB ASP 101 -2.203 19.485 -8.896 849 2HB ASP 101 3HB ASP 101 -1.484 20.489 -10.152 850 H ARG 102 H ARG 102 -1.327 16.464 -12.178 851 HA ARG 102 HA ARG 102 -0.493 17.915 -14.488 852 1HB ARG 102 2HB ARG 102 -0.922 15.158 -13.751 853 2HB ARG 102 3HB ARG 102 -1.637 15.487 -15.323 854 1HG ARG 102 2HG ARG 102 0.853 16.709 -15.427 855 2HG ARG 102 3HG ARG 102 1.134 15.186 -14.583 856 1HD ARG 102 2HD ARG 102 0.399 13.909 -16.379 857 2HD ARG 102 3HD ARG 102 -0.499 15.251 -17.089 858 HE ARG 102 HE ARG 102 1.421 15.946 -18.141 859 1HH1 ARG 102 2HH1 ARG 102 2.209 13.558 -15.733 860 2HH1 ARG 102 1HH1 ARG 102 3.853 13.387 -16.252 861 1HH2 ARG 102 2HH2 ARG 102 3.583 15.730 -18.834 862 2HH2 ARG 102 1HH2 ARG 102 4.634 14.624 -18.016 863 HA PRO 103 HA PRO 103 -4.315 19.313 -16.134 864 1HB PRO 103 2HB PRO 103 -3.847 19.101 -18.800 865 2HB PRO 103 3HB PRO 103 -3.090 20.336 -17.787 866 1HG PRO 103 2HG PRO 103 -1.972 17.733 -18.753 867 2HG PRO 103 3HG PRO 103 -1.195 19.325 -18.677 868 1HD PRO 103 2HD PRO 103 -0.757 17.399 -16.824 869 2HD PRO 103 3HD PRO 103 -0.730 19.130 -16.428 870 H VAL 104 H VAL 104 -6.284 18.538 -16.728 871 HA VAL 104 HA VAL 104 -6.599 15.695 -16.960 872 HB VAL 104 HB VAL 104 -8.212 17.086 -15.708 873 1HG1 VAL 104 1HG1 VAL 104 -9.356 18.019 -18.311 874 2HG1 VAL 104 2HG1 VAL 104 -9.611 18.655 -16.685 875 3HG1 VAL 104 3HG1 VAL 104 -8.079 18.938 -17.514 876 1HG2 VAL 104 1HG2 VAL 104 -10.110 15.861 -16.314 877 2HG2 VAL 104 2HG2 VAL 104 -9.653 15.821 -18.017 878 3HG2 VAL 104 3HG2 VAL 104 -8.762 14.854 -16.842 879 H LYS 105 H LYS 105 -7.059 14.497 -18.725 880 HA LYS 105 HA LYS 105 -6.858 15.824 -21.318 881 1HB LYS 105 2HB LYS 105 -6.519 13.002 -20.366 882 2HB LYS 105 3HB LYS 105 -6.826 13.317 -22.069 883 1HG LYS 105 2HG LYS 105 -4.569 14.555 -20.512 884 2HG LYS 105 3HG LYS 105 -4.422 13.084 -21.477 885 1HD LYS 105 2HD LYS 105 -5.089 14.324 -23.475 886 2HD LYS 105 3HD LYS 105 -5.258 15.794 -22.512 887 1HE LYS 105 2HE LYS 105 -3.145 16.156 -23.227 888 2HE LYS 105 3HE LYS 105 -2.744 15.115 -21.862 889 1HZ LYS 105 1HZ LYS 105 -2.326 14.669 -24.629 890 2HZ LYS 105 2HZ LYS 105 -3.269 13.425 -23.978 891 3HZ LYS 105 3HZ LYS 105 -1.756 13.779 -23.308 892 H GLU 106 H GLU 106 -8.405 15.684 -22.916 893 HA GLU 106 HA GLU 106 -11.103 15.229 -21.998 894 1HB GLU 106 2HB GLU 106 -11.781 16.109 -24.165 895 2HB GLU 106 3HB GLU 106 -10.569 17.152 -23.434 896 1HG GLU 106 2HG GLU 106 -8.862 15.931 -24.844 897 2HG GLU 106 3HG GLU 106 -10.227 15.225 -25.709 898 H VAL 107 H VAL 107 -12.460 13.602 -22.565 899 HA VAL 107 HA VAL 107 -11.296 11.413 -24.158 900 HB VAL 107 HB VAL 107 -13.148 11.398 -21.801 901 1HG1 VAL 107 1HG1 VAL 107 -14.390 10.057 -23.276 902 2HG1 VAL 107 2HG1 VAL 107 -12.941 9.313 -23.954 903 3HG1 VAL 107 3HG1 VAL 107 -13.449 8.920 -22.311 904 1HG2 VAL 107 1HG2 VAL 107 -10.475 10.979 -22.036 905 2HG2 VAL 107 2HG2 VAL 107 -11.481 10.315 -20.748 906 3HG2 VAL 107 3HG2 VAL 107 -11.093 9.332 -22.160 907 H HIS 108 H HIS 108 -12.456 10.503 -25.805 908 HA HIS 108 HA HIS 108 -15.086 11.688 -26.399 909 1HB HIS 108 2HB HIS 108 -12.709 11.312 -28.189 910 2HB HIS 108 3HB HIS 108 -14.333 11.286 -28.871 911 HD1 HIS 108 HD1 HIS 108 -15.000 13.488 -29.743 912 HD2 HIS 108 HD2 HIS 108 -12.458 13.842 -26.475 913 HE1 HIS 108 HE1 HIS 108 -14.683 15.960 -29.402 914 H GLU 109 H GLU 109 -16.115 10.315 -28.301 915 HA GLU 109 HA GLU 109 -16.436 7.668 -27.223 916 1HB GLU 109 2HB GLU 109 -17.633 8.630 -29.808 917 2HB GLU 109 3HB GLU 109 -18.273 7.447 -28.675 918 1HG GLU 109 2HG GLU 109 -19.557 9.074 -27.894 919 2HG GLU 109 3HG GLU 109 -18.099 9.747 -27.168 920 H GLU 110 H GLU 110 -15.281 5.950 -27.768 921 HA GLU 110 HA GLU 110 -14.720 5.078 -30.330 922 1HB GLU 110 2HB GLU 110 -13.042 7.227 -29.648 923 2HB GLU 110 3HB GLU 110 -12.048 5.785 -29.503 924 1HG GLU 110 2HG GLU 110 -12.083 5.362 -31.722 925 2HG GLU 110 3HG GLU 110 -13.714 5.998 -31.930 926 H TYR 111 H TYR 111 -12.325 3.762 -30.080 927 HA TYR 111 HA TYR 111 -12.758 2.108 -27.679 928 1HB TYR 111 2HB TYR 111 -11.899 1.305 -30.461 929 2HB TYR 111 3HB TYR 111 -11.788 0.234 -29.069 930 HD1 TYR 111 HD1 TYR 111 -13.579 -1.149 -28.562 931 HD2 TYR 111 HD2 TYR 111 -14.263 2.326 -30.920 932 HE1 TYR 111 HE1 TYR 111 -15.910 -1.853 -28.913 933 HE2 TYR 111 HE2 TYR 111 -16.595 1.632 -31.277 934 HH TYR 111 HH TYR 111 -17.713 -1.365 -30.811 935 H ASP 112 H ASP 112 -11.241 2.910 -26.312 936 HA ASP 112 HA ASP 112 -8.471 2.348 -26.965 937 1HB ASP 112 2HB ASP 112 -9.550 5.046 -26.955 938 2HB ASP 112 3HB ASP 112 -8.261 4.858 -25.770 939 H LEU 113 H LEU 113 -10.032 4.369 -24.487 940 HA LEU 113 HA LEU 113 -8.553 3.368 -22.347 941 1HB LEU 113 2HB LEU 113 -11.204 4.751 -22.532 942 2HB LEU 113 3HB LEU 113 -10.568 4.216 -20.979 943 HG LEU 113 HG LEU 113 -8.719 5.710 -21.132 944 1HD1 LEU 113 1HD1 LEU 113 -8.174 5.456 -23.470 945 2HD1 LEU 113 2HD1 LEU 113 -8.378 7.165 -23.091 946 3HD1 LEU 113 3HD1 LEU 113 -9.655 6.292 -23.938 947 1HD2 LEU 113 1HD2 LEU 113 -9.812 7.831 -21.112 948 2HD2 LEU 113 2HD2 LEU 113 -10.944 6.640 -20.471 949 3HD2 LEU 113 3HD2 LEU 113 -11.125 7.228 -22.125 950 H TRP 114 H TRP 114 -10.074 2.507 -20.344 951 HA TRP 114 HA TRP 114 -10.426 -0.226 -20.869 952 1HB TRP 114 2HB TRP 114 -11.118 1.577 -18.581 953 2HB TRP 114 3HB TRP 114 -11.747 -0.069 -18.598 954 HD1 TRP 114 HD1 TRP 114 -9.067 1.673 -17.069 955 HE1 TRP 114 HE1 TRP 114 -7.022 0.175 -16.623 956 HE3 TRP 114 HE3 TRP 114 -10.234 -2.232 -20.156 957 HZ2 TRP 114 HZ2 TRP 114 -6.034 -2.331 -17.469 958 HZ3 TRP 114 HZ3 TRP 114 -8.686 -4.140 -20.280 959 HH2 TRP 114 HH2 TRP 114 -6.630 -4.187 -18.964 960 H GLU 115 H GLU 115 -12.789 2.399 -20.530 961 HA GLU 115 HA GLU 115 -15.109 2.299 -20.712 962 1HB GLU 115 2HB GLU 115 -15.690 1.872 -23.127 963 2HB GLU 115 3HB GLU 115 -14.430 3.068 -22.860 964 1HG GLU 115 2HG GLU 115 -12.767 1.699 -23.676 965 2HG GLU 115 3HG GLU 115 -13.686 0.226 -23.371 966 H ASP 116 H ASP 116 -15.270 0.468 -19.162 967 HA ASP 116 HA ASP 116 -17.053 -1.476 -20.073 968 1HB ASP 116 2HB ASP 116 -15.554 -2.849 -21.103 969 2HB ASP 116 3HB ASP 116 -14.193 -2.243 -20.163 970 HA PRO 117 HA PRO 117 -15.750 -2.583 -15.561 971 1HB PRO 117 2HB PRO 117 -13.576 -1.322 -14.535 972 2HB PRO 117 3HB PRO 117 -13.473 -2.851 -15.416 973 1HG PRO 117 2HG PRO 117 -12.951 -0.068 -16.386 974 2HG PRO 117 3HG PRO 117 -12.028 -1.550 -16.692 975 1HD PRO 117 2HD PRO 117 -13.766 -0.519 -18.494 976 2HD PRO 117 3HD PRO 117 -13.477 -2.263 -18.337 977 H ILE 118 H ILE 118 -14.468 0.725 -15.978 978 HA ILE 118 HA ILE 118 -16.099 1.701 -13.810 979 HB ILE 118 HB ILE 118 -14.964 3.734 -13.998 980 1HG1 ILE 118 2HG1 ILE 118 -15.441 4.047 -16.426 981 2HG1 ILE 118 3HG1 ILE 118 -13.808 4.519 -15.971 982 1HG2 ILE 118 1HG2 ILE 118 -12.588 3.140 -14.231 983 2HG2 ILE 118 2HG2 ILE 118 -13.484 1.956 -13.280 984 3HG2 ILE 118 3HG2 ILE 118 -13.059 1.603 -14.955 985 1HD1 ILE 118 1HD1 ILE 118 -13.715 3.347 -18.044 986 2HD1 ILE 118 2HD1 ILE 118 -13.015 2.315 -16.797 987 3HD1 ILE 118 3HD1 ILE 118 -14.648 2.003 -17.385 988 H TRP 119 H TRP 119 -16.514 1.258 -17.137 989 HA TRP 119 HA TRP 119 -18.077 3.452 -17.875 990 1HB TRP 119 2HB TRP 119 -17.288 1.929 -19.558 991 2HB TRP 119 3HB TRP 119 -18.142 0.580 -18.814 992 HD1 TRP 119 HD1 TRP 119 -20.362 -0.007 -19.932 993 HE1 TRP 119 HE1 TRP 119 -22.051 1.214 -21.442 994 HE3 TRP 119 HE3 TRP 119 -18.199 4.625 -19.988 995 HZ2 TRP 119 HZ2 TRP 119 -22.418 3.799 -22.515 996 HZ3 TRP 119 HZ3 TRP 119 -19.282 6.417 -21.281 997 HH2 TRP 119 HH2 TRP 119 -21.348 6.010 -22.518 998 H GLN 120 H GLN 120 -18.807 0.729 -15.872 999 HA GLN 120 HA GLN 120 -21.608 1.629 -15.706 1000 1HB GLN 120 2HB GLN 120 -20.428 -1.095 -15.834 1001 2HB GLN 120 3HB GLN 120 -21.812 -0.871 -14.773 1002 1HG GLN 120 2HG GLN 120 -21.825 -0.033 -17.655 1003 2HG GLN 120 3HG GLN 120 -22.302 -1.644 -17.122 1004 1HE2 GLN 120 1HE2 GLN 120 -23.777 -1.325 -14.985 1005 2HE2 GLN 120 2HE2 GLN 120 -25.151 -0.321 -15.280 1006 H TYR 121 H TYR 121 -19.477 -0.463 -13.760 1007 HA TYR 121 HA TYR 121 -20.513 0.741 -11.333 1008 1HB TYR 121 2HB TYR 121 -19.743 -1.800 -11.928 1009 2HB TYR 121 3HB TYR 121 -18.296 -1.196 -11.128 1010 HD1 TYR 121 HD1 TYR 121 -18.167 -1.715 -8.893 1011 HD2 TYR 121 HD2 TYR 121 -21.994 -0.948 -10.587 1012 HE1 TYR 121 HE1 TYR 121 -19.209 -2.110 -6.701 1013 HE2 TYR 121 HE2 TYR 121 -23.047 -1.340 -8.399 1014 HH TYR 121 HH TYR 121 -22.465 -2.635 -6.283 1015 H ILE 122 H ILE 122 -18.511 0.758 -9.576 1016 HA ILE 122 HA ILE 122 -17.155 3.156 -10.100 1017 HB ILE 122 HB ILE 122 -16.504 1.044 -8.041 1018 1HG1 ILE 122 2HG1 ILE 122 -17.863 3.591 -7.343 1019 2HG1 ILE 122 3HG1 ILE 122 -18.821 2.395 -8.209 1020 1HG2 ILE 122 1HG2 ILE 122 -15.473 3.008 -6.835 1021 2HG2 ILE 122 2HG2 ILE 122 -14.599 2.429 -8.252 1022 3HG2 ILE 122 3HG2 ILE 122 -15.582 3.889 -8.359 1023 1HD1 ILE 122 1HD1 ILE 122 -18.428 0.769 -6.484 1024 2HD1 ILE 122 2HD1 ILE 122 -17.336 1.872 -5.647 1025 3HD1 ILE 122 3HD1 ILE 122 -19.054 2.252 -5.765 Start of MODEL 11 1 H MET 1 H MET 1 1.480 -2.639 -0.386 2 HA MET 1 HA MET 1 2.692 -3.138 -2.442 3 1HB MET 1 2HB MET 1 1.188 -5.443 -1.217 4 2HB MET 1 3HB MET 1 2.387 -5.678 -2.482 5 1HG MET 1 2HG MET 1 3.947 -4.334 -0.923 6 2HG MET 1 3HG MET 1 2.766 -4.727 0.323 7 1HE MET 1 1HE MET 1 2.602 -6.832 1.541 8 2HE MET 1 2HE MET 1 3.964 -7.952 1.582 9 3HE MET 1 3HE MET 1 4.221 -6.238 1.911 10 H GLN 2 H GLN 2 0.220 -1.933 -3.270 11 HA GLN 2 HA GLN 2 -0.940 -3.729 -5.229 12 1HB GLN 2 2HB GLN 2 -2.379 -1.790 -5.792 13 2HB GLN 2 3HB GLN 2 -2.437 -2.215 -4.087 14 1HG GLN 2 2HG GLN 2 -1.195 -0.347 -3.454 15 2HG GLN 2 3HG GLN 2 -0.605 -0.073 -5.092 16 1HE2 GLN 2 1HE2 GLN 2 -1.605 1.401 -6.271 17 2HE2 GLN 2 2HE2 GLN 2 -3.156 2.084 -5.933 18 H LYS 3 H LYS 3 1.611 -3.640 -5.879 19 HA LYS 3 HA LYS 3 1.804 -1.711 -8.098 20 1HB LYS 3 2HB LYS 3 4.274 -2.088 -7.951 21 2HB LYS 3 3HB LYS 3 3.577 -1.311 -6.536 22 1HG LYS 3 2HG LYS 3 3.682 -3.342 -5.283 23 2HG LYS 3 3HG LYS 3 4.160 -4.257 -6.715 24 1HD LYS 3 2HD LYS 3 5.806 -1.960 -5.704 25 2HD LYS 3 3HD LYS 3 5.989 -3.584 -5.037 26 1HE LYS 3 2HE LYS 3 6.554 -4.460 -7.210 27 2HE LYS 3 3HE LYS 3 6.224 -2.902 -7.965 28 1HZ LYS 3 1HZ LYS 3 8.193 -2.073 -7.318 29 2HZ LYS 3 2HZ LYS 3 8.651 -3.698 -7.221 30 3HZ LYS 3 3HZ LYS 3 8.180 -2.868 -5.824 31 H GLY 4 H GLY 4 2.560 -2.441 -10.115 32 1HA GLY 4 2HA GLY 4 3.183 -4.033 -11.712 33 2HA GLY 4 3HA GLY 4 3.032 -5.286 -10.489 34 H LEU 5 H LEU 5 0.379 -3.161 -10.642 35 HA LEU 5 HA LEU 5 -1.089 -4.926 -12.466 36 1HB LEU 5 2HB LEU 5 -1.618 -4.442 -9.594 37 2HB LEU 5 3HB LEU 5 -3.015 -4.469 -10.668 38 HG LEU 5 HG LEU 5 -2.723 -6.642 -9.680 39 1HD1 LEU 5 1HD1 LEU 5 -3.069 -6.191 -12.316 40 2HD1 LEU 5 2HD1 LEU 5 -3.140 -7.788 -11.571 41 3HD1 LEU 5 3HD1 LEU 5 -1.656 -7.246 -12.355 42 1HD2 LEU 5 1HD2 LEU 5 -0.035 -6.077 -9.728 43 2HD2 LEU 5 2HD2 LEU 5 -0.199 -7.322 -10.967 44 3HD2 LEU 5 3HD2 LEU 5 -0.755 -7.635 -9.323 45 H GLU 6 H GLU 6 -3.111 -3.994 -13.243 46 HA GLU 6 HA GLU 6 -3.036 -1.048 -13.219 47 1HB GLU 6 2HB GLU 6 -4.298 -1.407 -15.486 48 2HB GLU 6 3HB GLU 6 -2.546 -1.535 -15.419 49 1HG GLU 6 2HG GLU 6 -2.707 -3.956 -15.314 50 2HG GLU 6 3HG GLU 6 -4.467 -3.850 -15.330 51 H ILE 7 H ILE 7 -4.825 0.020 -12.629 52 HA ILE 7 HA ILE 7 -7.398 -1.373 -12.614 53 HB ILE 7 HB ILE 7 -7.731 -0.159 -10.293 54 1HG1 ILE 7 2HG1 ILE 7 -5.221 0.623 -10.591 55 2HG1 ILE 7 3HG1 ILE 7 -5.858 0.204 -9.004 56 1HG2 ILE 7 1HG2 ILE 7 -6.393 -2.807 -10.778 57 2HG2 ILE 7 2HG2 ILE 7 -6.946 -2.297 -9.184 58 3HG2 ILE 7 3HG2 ILE 7 -8.104 -2.480 -10.501 59 1HD1 ILE 7 1HD1 ILE 7 -3.559 -0.721 -9.798 60 2HD1 ILE 7 2HD1 ILE 7 -4.671 -1.753 -8.898 61 3HD1 ILE 7 3HD1 ILE 7 -4.551 -1.904 -10.651 62 H ALA 8 H ALA 8 -9.203 -0.020 -12.716 63 HA ALA 8 HA ALA 8 -8.591 2.796 -13.338 64 1HB ALA 8 1HB ALA 8 -10.578 2.754 -14.801 65 2HB ALA 8 2HB ALA 8 -9.335 1.608 -15.304 66 3HB ALA 8 3HB ALA 8 -10.769 1.035 -14.454 67 H PHE 9 H PHE 9 -9.946 4.406 -12.558 68 HA PHE 9 HA PHE 9 -12.051 3.588 -10.683 69 1HB PHE 9 2HB PHE 9 -10.105 4.037 -9.310 70 2HB PHE 9 3HB PHE 9 -9.849 5.581 -10.116 71 HD1 PHE 9 HD1 PHE 9 -12.721 3.858 -8.460 72 HD2 PHE 9 HD2 PHE 9 -10.377 7.392 -8.825 73 HE1 PHE 9 HE1 PHE 9 -14.132 4.964 -6.774 74 HE2 PHE 9 HE2 PHE 9 -11.782 8.503 -7.140 75 HZ PHE 9 HZ PHE 9 -13.662 7.289 -6.111 76 H GLN 10 H GLN 10 -13.839 4.865 -10.663 77 HA GLN 10 HA GLN 10 -13.951 6.961 -12.694 78 1HB GLN 10 2HB GLN 10 -16.371 6.773 -12.503 79 2HB GLN 10 3HB GLN 10 -15.654 5.187 -12.755 80 1HG GLN 10 2HG GLN 10 -17.103 4.664 -11.099 81 2HG GLN 10 3HG GLN 10 -15.723 5.141 -10.112 82 1HE2 GLN 10 1HE2 GLN 10 -18.909 5.960 -11.175 83 2HE2 GLN 10 2HE2 GLN 10 -19.162 7.276 -10.085 84 H THR 11 H THR 11 -15.162 8.950 -12.220 85 HA THR 11 HA THR 11 -15.596 9.773 -9.525 86 HB THR 11 HB THR 11 -13.312 10.081 -9.216 87 HG1 THR 11 HG1 THR 11 -13.360 12.167 -8.809 88 1HG2 THR 11 1HG2 THR 11 -11.838 11.131 -10.945 89 2HG2 THR 11 2HG2 THR 11 -13.194 11.054 -12.070 90 3HG2 THR 11 3HG2 THR 11 -12.505 9.568 -11.416 91 H ILE 12 H ILE 12 -16.855 11.579 -9.425 92 HA ILE 12 HA ILE 12 -17.222 13.133 -11.892 93 HB ILE 12 HB ILE 12 -19.711 13.241 -11.179 94 1HG1 ILE 12 2HG1 ILE 12 -20.419 10.997 -10.188 95 2HG1 ILE 12 3HG1 ILE 12 -18.734 10.783 -9.727 96 1HG2 ILE 12 1HG2 ILE 12 -20.240 11.556 -12.713 97 2HG2 ILE 12 2HG2 ILE 12 -18.633 12.098 -13.195 98 3HG2 ILE 12 3HG2 ILE 12 -18.822 10.598 -12.286 99 1HD1 ILE 12 1HD1 ILE 12 -20.197 13.253 -8.920 100 2HD1 ILE 12 2HD1 ILE 12 -20.419 11.750 -8.024 101 3HD1 ILE 12 3HD1 ILE 12 -18.814 12.466 -8.159 102 H ASN 13 H ASN 13 -15.656 13.906 -9.719 103 HA ASN 13 HA ASN 13 -15.316 15.595 -8.229 104 1HB ASN 13 2HB ASN 13 -16.149 16.760 -10.423 105 2HB ASN 13 3HB ASN 13 -17.592 17.101 -9.472 106 1HD2 ASN 13 1HD2 ASN 13 -17.586 18.962 -8.459 107 2HD2 ASN 13 2HD2 ASN 13 -16.190 19.839 -7.940 108 H GLY 14 H GLY 14 -17.270 13.521 -7.527 109 1HA GLY 14 2HA GLY 14 -19.280 14.949 -5.968 110 2HA GLY 14 3HA GLY 14 -19.153 13.206 -6.157 111 H LEU 15 H LEU 15 -17.138 12.235 -5.119 112 HA LEU 15 HA LEU 15 -16.221 13.674 -2.761 113 1HB LEU 15 2HB LEU 15 -17.584 10.993 -2.558 114 2HB LEU 15 3HB LEU 15 -16.837 11.886 -1.235 115 HG LEU 15 HG LEU 15 -19.196 12.928 -2.789 116 1HD1 LEU 15 1HD1 LEU 15 -19.373 11.622 -0.097 117 2HD1 LEU 15 2HD1 LEU 15 -19.563 10.697 -1.585 118 3HD1 LEU 15 3HD1 LEU 15 -20.669 12.022 -1.224 119 1HD2 LEU 15 1HD2 LEU 15 -18.702 13.684 0.011 120 2HD2 LEU 15 2HD2 LEU 15 -19.201 14.670 -1.364 121 3HD2 LEU 15 3HD2 LEU 15 -17.501 14.251 -1.150 122 H ASP 16 H ASP 16 -15.268 12.298 -5.348 123 HA ASP 16 HA ASP 16 -13.162 10.665 -4.089 124 1HB ASP 16 2HB ASP 16 -13.784 10.408 -6.999 125 2HB ASP 16 3HB ASP 16 -13.155 9.205 -5.877 126 H GLU 17 H GLU 17 -13.856 13.508 -5.762 127 HA GLU 17 HA GLU 17 -11.740 13.948 -7.452 128 1HB GLU 17 2HB GLU 17 -11.957 16.377 -6.795 129 2HB GLU 17 3HB GLU 17 -13.444 15.596 -7.314 130 1HG GLU 17 2HG GLU 17 -13.993 15.241 -4.897 131 2HG GLU 17 3HG GLU 17 -12.606 16.256 -4.505 132 H SER 18 H SER 18 -11.818 14.510 -3.943 133 HA SER 18 HA SER 18 -9.173 15.449 -3.719 134 1HB SER 18 2HB SER 18 -11.161 14.303 -1.787 135 2HB SER 18 3HB SER 18 -9.499 14.584 -1.267 136 HG SER 18 HG SER 18 -10.867 16.631 -2.603 137 H LEU 19 H LEU 19 -10.561 12.207 -3.401 138 HA LEU 19 HA LEU 19 -8.205 10.891 -2.608 139 1HB LEU 19 2HB LEU 19 -10.442 9.917 -2.401 140 2HB LEU 19 3HB LEU 19 -10.558 9.814 -4.157 141 HG LEU 19 HG LEU 19 -9.982 7.695 -2.772 142 1HD1 LEU 19 1HD1 LEU 19 -8.057 7.436 -4.753 143 2HD1 LEU 19 2HD1 LEU 19 -9.184 8.635 -5.386 144 3HD1 LEU 19 3HD1 LEU 19 -9.772 7.049 -4.887 145 1HD2 LEU 19 1HD2 LEU 19 -7.866 7.401 -1.988 146 2HD2 LEU 19 2HD2 LEU 19 -8.016 9.140 -1.734 147 3HD2 LEU 19 3HD2 LEU 19 -7.158 8.526 -3.147 148 H VAL 20 H VAL 20 -9.476 11.759 -5.761 149 HA VAL 20 HA VAL 20 -7.674 10.190 -7.296 150 HB VAL 20 HB VAL 20 -9.108 12.720 -8.115 151 1HG1 VAL 20 1HG1 VAL 20 -7.844 10.506 -9.724 152 2HG1 VAL 20 2HG1 VAL 20 -8.880 11.766 -10.398 153 3HG1 VAL 20 3HG1 VAL 20 -7.339 12.194 -9.654 154 1HG2 VAL 20 1HG2 VAL 20 -11.005 11.568 -8.083 155 2HG2 VAL 20 2HG2 VAL 20 -10.306 10.365 -9.167 156 3HG2 VAL 20 3HG2 VAL 20 -10.150 10.175 -7.421 157 H GLN 21 H GLN 21 -7.728 13.683 -6.574 158 HA GLN 21 HA GLN 21 -5.215 14.219 -7.746 159 1HB GLN 21 2HB GLN 21 -6.912 15.710 -5.756 160 2HB GLN 21 3HB GLN 21 -5.354 16.326 -6.291 161 1HG GLN 21 2HG GLN 21 -6.137 16.362 -8.590 162 2HG GLN 21 3HG GLN 21 -7.689 15.698 -8.083 163 1HE2 GLN 21 1HE2 GLN 21 -8.665 17.031 -6.189 164 2HE2 GLN 21 2HE2 GLN 21 -8.693 18.740 -6.445 165 H ALA 22 H ALA 22 -6.153 12.983 -4.656 166 HA ALA 22 HA ALA 22 -3.657 13.577 -3.348 167 1HB ALA 22 1HB ALA 22 -4.543 12.258 -1.500 168 2HB ALA 22 2HB ALA 22 -5.736 13.426 -2.070 169 3HB ALA 22 3HB ALA 22 -5.886 11.725 -2.512 170 H LEU 23 H LEU 23 -5.239 10.597 -4.501 171 HA LEU 23 HA LEU 23 -3.092 8.875 -3.941 172 1HB LEU 23 2HB LEU 23 -4.301 7.243 -4.994 173 2HB LEU 23 3HB LEU 23 -5.571 8.400 -4.600 174 HG LEU 23 HG LEU 23 -5.048 9.266 -7.044 175 1HD1 LEU 23 1HD1 LEU 23 -4.760 6.957 -8.336 176 2HD1 LEU 23 2HD1 LEU 23 -3.805 6.583 -6.902 177 3HD1 LEU 23 3HD1 LEU 23 -3.389 7.977 -7.898 178 1HD2 LEU 23 1HD2 LEU 23 -6.819 7.726 -7.863 179 2HD2 LEU 23 2HD2 LEU 23 -7.217 8.520 -6.339 180 3HD2 LEU 23 3HD2 LEU 23 -6.690 6.836 -6.345 181 H ALA 24 H ALA 24 -3.795 10.931 -6.685 182 HA ALA 24 HA ALA 24 -2.069 9.861 -8.585 183 1HB ALA 24 1HB ALA 24 -2.030 12.133 -9.566 184 2HB ALA 24 2HB ALA 24 -3.656 11.578 -9.164 185 3HB ALA 24 3HB ALA 24 -2.837 12.739 -8.119 186 H GLY 25 H GLY 25 -1.405 12.480 -6.250 187 1HA GLY 25 2HA GLY 25 1.371 12.608 -6.918 188 2HA GLY 25 3HA GLY 25 0.595 13.384 -5.545 189 H VAL 26 H VAL 26 -0.407 11.243 -4.156 190 HA VAL 26 HA VAL 26 1.785 10.381 -2.671 191 HB VAL 26 HB VAL 26 -0.938 9.086 -2.875 192 1HG1 VAL 26 1HG1 VAL 26 -0.068 8.601 -0.354 193 2HG1 VAL 26 2HG1 VAL 26 0.080 7.463 -1.695 194 3HG1 VAL 26 3HG1 VAL 26 1.443 8.494 -1.257 195 1HG2 VAL 26 1HG2 VAL 26 -1.750 10.676 -1.526 196 2HG2 VAL 26 2HG2 VAL 26 -0.305 10.687 -0.515 197 3HG2 VAL 26 3HG2 VAL 26 -0.340 11.617 -2.013 198 H THR 27 H THR 27 -0.162 8.526 -5.012 199 HA THR 27 HA THR 27 1.386 6.181 -4.897 200 HB THR 27 HB THR 27 -0.218 7.140 -7.273 201 HG1 THR 27 HG1 THR 27 -0.983 6.006 -4.806 202 1HG2 THR 27 1HG2 THR 27 -0.390 4.846 -7.878 203 2HG2 THR 27 2HG2 THR 27 0.316 4.321 -6.349 204 3HG2 THR 27 3HG2 THR 27 1.314 5.150 -7.544 205 H ALA 28 H ALA 28 1.367 8.774 -7.348 206 HA ALA 28 HA ALA 28 3.452 7.828 -8.922 207 1HB ALA 28 1HB ALA 28 2.066 9.614 -9.703 208 2HB ALA 28 2HB ALA 28 2.581 10.661 -8.380 209 3HB ALA 28 3HB ALA 28 3.729 10.200 -9.637 210 H SER 29 H SER 29 3.534 9.699 -5.946 211 HA SER 29 HA SER 29 6.346 10.231 -6.070 212 1HB SER 29 2HB SER 29 4.752 11.676 -4.823 213 2HB SER 29 3HB SER 29 4.492 10.359 -3.679 214 HG SER 29 HG SER 29 6.511 10.598 -2.917 215 H ASP 30 H ASP 30 4.324 7.720 -4.734 216 HA ASP 30 HA ASP 30 6.412 6.549 -3.138 217 1HB ASP 30 2HB ASP 30 3.972 6.360 -2.595 218 2HB ASP 30 3HB ASP 30 3.792 5.308 -3.996 219 H PHE 31 H PHE 31 5.506 6.452 -6.418 220 HA PHE 31 HA PHE 31 7.200 4.078 -6.838 221 1HB PHE 31 2HB PHE 31 4.778 4.978 -8.408 222 2HB PHE 31 3HB PHE 31 5.868 3.697 -8.929 223 HD1 PHE 31 HD1 PHE 31 6.375 2.340 -6.347 224 HD2 PHE 31 HD2 PHE 31 2.774 3.862 -8.030 225 HE1 PHE 31 HE1 PHE 31 5.079 0.706 -5.042 226 HE2 PHE 31 HE2 PHE 31 1.472 2.231 -6.727 227 HZ PHE 31 HZ PHE 31 2.624 0.651 -5.230 228 HA PRO 32 HA PRO 32 8.980 7.882 -8.939 229 1HB PRO 32 2HB PRO 32 11.409 7.759 -7.733 230 2HB PRO 32 3HB PRO 32 10.038 8.637 -7.045 231 1HG PRO 32 2HG PRO 32 11.069 5.907 -6.375 232 2HG PRO 32 3HG PRO 32 10.521 7.195 -5.285 233 1HD PRO 32 2HD PRO 32 8.960 5.083 -5.946 234 2HD PRO 32 3HD PRO 32 8.294 6.694 -5.609 235 H ASP 33 H ASP 33 10.448 4.757 -8.126 236 HA ASP 33 HA ASP 33 11.886 4.786 -10.685 237 1HB ASP 33 2HB ASP 33 12.223 3.125 -8.187 238 2HB ASP 33 3HB ASP 33 13.053 2.755 -9.696 239 H LEU 34 H LEU 34 9.185 3.417 -9.114 240 HA LEU 34 HA LEU 34 9.035 0.956 -10.523 241 1HB LEU 34 2HB LEU 34 7.401 2.469 -8.661 242 2HB LEU 34 3HB LEU 34 6.433 1.662 -9.893 243 HG LEU 34 HG LEU 34 8.078 -0.356 -9.099 244 1HD1 LEU 34 1HD1 LEU 34 8.426 1.610 -7.144 245 2HD1 LEU 34 2HD1 LEU 34 8.905 -0.085 -7.059 246 3HD1 LEU 34 3HD1 LEU 34 7.335 0.419 -6.433 247 1HD2 LEU 34 1HD2 LEU 34 5.847 -0.867 -9.294 248 2HD2 LEU 34 2HD2 LEU 34 5.332 0.514 -8.327 249 3HD2 LEU 34 3HD2 LEU 34 6.044 -0.896 -7.542 250 H ASP 35 H ASP 35 8.698 4.112 -11.561 251 HA ASP 35 HA ASP 35 7.811 5.116 -13.407 252 1HB ASP 35 2HB ASP 35 8.374 2.333 -14.432 253 2HB ASP 35 3HB ASP 35 7.843 3.644 -15.482 254 H ILE 36 H ILE 36 5.777 5.023 -11.966 255 HA ILE 36 HA ILE 36 3.688 3.230 -12.684 256 HB ILE 36 HB ILE 36 3.547 4.225 -10.533 257 1HG1 ILE 36 2HG1 ILE 36 1.477 5.675 -12.187 258 2HG1 ILE 36 3HG1 ILE 36 1.410 3.946 -11.866 259 1HG2 ILE 36 1HG2 ILE 36 4.145 6.709 -12.007 260 2HG2 ILE 36 2HG2 ILE 36 3.051 6.862 -10.634 261 3HG2 ILE 36 3HG2 ILE 36 4.663 6.185 -10.405 262 1HD1 ILE 36 1HD1 ILE 36 0.645 4.246 -9.792 263 2HD1 ILE 36 2HD1 ILE 36 1.737 5.594 -9.477 264 3HD1 ILE 36 3HD1 ILE 36 0.232 5.866 -10.354 265 H LYS 37 H LYS 37 2.027 3.446 -14.107 266 HA LYS 37 HA LYS 37 2.137 5.774 -15.910 267 1HB LYS 37 2HB LYS 37 0.944 3.110 -16.641 268 2HB LYS 37 3HB LYS 37 1.482 4.400 -17.709 269 1HG LYS 37 2HG LYS 37 3.235 2.601 -16.050 270 2HG LYS 37 3HG LYS 37 3.023 2.549 -17.802 271 1HD LYS 37 2HD LYS 37 4.174 4.862 -16.240 272 2HD LYS 37 3HD LYS 37 5.108 3.680 -17.159 273 1HE LYS 37 2HE LYS 37 3.658 4.396 -19.156 274 2HE LYS 37 3HE LYS 37 3.225 5.789 -18.166 275 1HZ LYS 37 1HZ LYS 37 5.546 5.386 -19.695 276 2HZ LYS 37 2HZ LYS 37 5.996 5.516 -18.069 277 3HZ LYS 37 3HZ LYS 37 5.098 6.750 -18.800 278 H TYR 38 H TYR 38 0.728 6.857 -14.347 279 HA TYR 38 HA TYR 38 -2.081 6.018 -14.653 280 1HB TYR 38 2HB TYR 38 -1.894 5.804 -12.387 281 2HB TYR 38 3HB TYR 38 -0.565 6.952 -12.279 282 HD1 TYR 38 HD1 TYR 38 -4.200 6.548 -12.280 283 HD2 TYR 38 HD2 TYR 38 -0.997 9.341 -12.065 284 HE1 TYR 38 HE1 TYR 38 -5.762 8.268 -11.474 285 HE2 TYR 38 HE2 TYR 38 -2.550 11.068 -11.257 286 HH TYR 38 HH TYR 38 -5.571 10.420 -10.079 287 H ASN 39 H ASN 39 -3.633 7.639 -14.973 288 HA ASN 39 HA ASN 39 -2.846 10.401 -15.196 289 1HB ASN 39 2HB ASN 39 -3.084 8.658 -17.577 290 2HB ASN 39 3HB ASN 39 -3.891 10.220 -17.685 291 1HD2 ASN 39 1HD2 ASN 39 -1.347 8.904 -18.815 292 2HD2 ASN 39 2HD2 ASN 39 -0.151 10.136 -18.620 293 H ILE 40 H ILE 40 -4.715 11.768 -15.949 294 HA ILE 40 HA ILE 40 -7.300 10.500 -15.347 295 HB ILE 40 HB ILE 40 -7.476 13.160 -14.451 296 1HG1 ILE 40 2HG1 ILE 40 -5.050 11.748 -13.320 297 2HG1 ILE 40 3HG1 ILE 40 -5.021 13.199 -14.316 298 1HG2 ILE 40 1HG2 ILE 40 -8.791 11.878 -13.178 299 2HG2 ILE 40 2HG2 ILE 40 -7.788 10.449 -13.425 300 3HG2 ILE 40 3HG2 ILE 40 -7.357 11.625 -12.183 301 1HD1 ILE 40 1HD1 ILE 40 -6.605 14.088 -12.385 302 2HD1 ILE 40 2HD1 ILE 40 -5.724 12.866 -11.466 303 3HD1 ILE 40 3HD1 ILE 40 -4.846 14.161 -12.279 304 H PHE 41 H PHE 41 -8.837 10.927 -16.792 305 HA PHE 41 HA PHE 41 -8.549 13.310 -18.493 306 1HB PHE 41 2HB PHE 41 -9.728 11.690 -20.242 307 2HB PHE 41 3HB PHE 41 -7.976 11.751 -20.074 308 HD1 PHE 41 HD1 PHE 41 -6.752 9.915 -19.139 309 HD2 PHE 41 HD2 PHE 41 -11.002 9.810 -19.357 310 HE1 PHE 41 HE1 PHE 41 -6.714 7.503 -18.655 311 HE2 PHE 41 HE2 PHE 41 -10.971 7.399 -18.872 312 HZ PHE 41 HZ PHE 41 -8.825 6.242 -18.520 313 H LEU 42 H LEU 42 -10.487 14.236 -19.258 314 HA LEU 42 HA LEU 42 -12.850 13.475 -17.680 315 1HB LEU 42 2HB LEU 42 -12.031 15.714 -17.230 316 2HB LEU 42 3HB LEU 42 -12.107 16.108 -18.946 317 HG LEU 42 HG LEU 42 -13.953 16.990 -17.378 318 1HD1 LEU 42 1HD1 LEU 42 -15.052 17.400 -19.268 319 2HD1 LEU 42 2HD1 LEU 42 -15.388 15.690 -19.534 320 3HD1 LEU 42 3HD1 LEU 42 -13.859 16.382 -20.075 321 1HD2 LEU 42 1HD2 LEU 42 -15.403 14.474 -17.914 322 2HD2 LEU 42 2HD2 LEU 42 -15.533 15.596 -16.559 323 3HD2 LEU 42 3HD2 LEU 42 -14.209 14.431 -16.617 324 H VAL 43 H VAL 43 -14.605 12.737 -18.685 325 HA VAL 43 HA VAL 43 -14.694 12.914 -21.622 326 HB VAL 43 HB VAL 43 -15.638 10.846 -21.738 327 1HG1 VAL 43 1HG1 VAL 43 -14.344 9.409 -20.531 328 2HG1 VAL 43 2HG1 VAL 43 -13.481 10.913 -20.200 329 3HG1 VAL 43 3HG1 VAL 43 -14.613 10.265 -19.013 330 1HG2 VAL 43 1HG2 VAL 43 -16.972 9.845 -19.834 331 2HG2 VAL 43 2HG2 VAL 43 -16.872 11.425 -19.055 332 3HG2 VAL 43 3HG2 VAL 43 -17.678 11.260 -20.616 333 H ASP 44 H ASP 44 -16.438 13.755 -22.649 334 HA ASP 44 HA ASP 44 -18.759 14.545 -21.033 335 1HB ASP 44 2HB ASP 44 -18.805 16.722 -22.290 336 2HB ASP 44 3HB ASP 44 -17.455 16.553 -21.171 337 H LEU 45 H LEU 45 -20.287 13.267 -21.889 338 HA LEU 45 HA LEU 45 -21.017 13.678 -24.662 339 1HB LEU 45 2HB LEU 45 -19.468 11.458 -23.954 340 2HB LEU 45 3HB LEU 45 -21.112 10.848 -24.134 341 HG LEU 45 HG LEU 45 -19.764 10.632 -26.189 342 1HD1 LEU 45 1HD1 LEU 45 -21.822 12.657 -26.867 343 2HD1 LEU 45 2HD1 LEU 45 -22.343 11.210 -26.005 344 3HD1 LEU 45 3HD1 LEU 45 -21.526 11.063 -27.561 345 1HD2 LEU 45 1HD2 LEU 45 -18.395 12.658 -25.866 346 2HD2 LEU 45 2HD2 LEU 45 -19.812 13.648 -26.217 347 3HD2 LEU 45 3HD2 LEU 45 -19.143 12.591 -27.462 348 H TYR 46 H TYR 46 -23.150 12.884 -25.165 349 HA TYR 46 HA TYR 46 -25.357 12.553 -24.732 350 1HB TYR 46 2HB TYR 46 -24.421 11.246 -22.172 351 2HB TYR 46 3HB TYR 46 -25.985 11.035 -22.950 352 HD1 TYR 46 HD1 TYR 46 -26.008 9.977 -25.286 353 HD2 TYR 46 HD2 TYR 46 -22.638 9.827 -22.694 354 HE1 TYR 46 HE1 TYR 46 -25.122 8.068 -26.559 355 HE2 TYR 46 HE2 TYR 46 -21.742 7.918 -23.959 356 HH TYR 46 HH TYR 46 -23.412 6.672 -26.833 357 H GLY 47 H GLY 47 -23.763 14.873 -23.589 358 1HA GLY 47 2HA GLY 47 -24.520 16.855 -22.635 359 2HA GLY 47 3HA GLY 47 -25.974 16.018 -22.112 360 H GLN 48 H GLN 48 -23.808 13.960 -21.058 361 HA GLN 48 HA GLN 48 -23.453 15.357 -18.490 362 1HB GLN 48 2HB GLN 48 -23.546 12.370 -18.904 363 2HB GLN 48 3HB GLN 48 -23.614 13.243 -17.379 364 1HG GLN 48 2HG GLN 48 -25.792 14.092 -17.888 365 2HG GLN 48 3HG GLN 48 -25.718 13.428 -19.519 366 1HE2 GLN 48 1HE2 GLN 48 -27.426 13.005 -16.998 367 2HE2 GLN 48 2HE2 GLN 48 -27.522 11.285 -16.870 368 H LYS 49 H LYS 49 -21.460 15.577 -17.669 369 HA LYS 49 HA LYS 49 -19.244 14.301 -19.129 370 1HB LYS 49 2HB LYS 49 -17.896 16.206 -18.031 371 2HB LYS 49 3HB LYS 49 -18.951 16.605 -19.379 372 1HG LYS 49 2HG LYS 49 -20.227 16.801 -16.752 373 2HG LYS 49 3HG LYS 49 -18.886 17.920 -17.004 374 1HD LYS 49 2HD LYS 49 -20.656 17.760 -19.307 375 2HD LYS 49 3HD LYS 49 -21.495 18.277 -17.843 376 1HE LYS 49 2HE LYS 49 -19.533 19.907 -17.541 377 2HE LYS 49 3HE LYS 49 -19.160 19.557 -19.228 378 1HZ LYS 49 1HZ LYS 49 -20.587 21.546 -18.864 379 2HZ LYS 49 2HZ LYS 49 -21.809 20.520 -18.305 380 3HZ LYS 49 3HZ LYS 49 -21.262 20.392 -19.900 381 H TYR 50 H TYR 50 -17.932 12.942 -18.083 382 HA TYR 50 HA TYR 50 -17.954 12.946 -15.142 383 1HB TYR 50 2HB TYR 50 -17.969 10.444 -16.838 384 2HB TYR 50 3HB TYR 50 -18.043 10.534 -15.082 385 HD1 TYR 50 HD1 TYR 50 -20.057 12.595 -14.620 386 HD2 TYR 50 HD2 TYR 50 -19.969 9.492 -17.530 387 HE1 TYR 50 HE1 TYR 50 -22.514 12.631 -14.724 388 HE2 TYR 50 HE2 TYR 50 -22.426 9.520 -17.642 389 HH TYR 50 HH TYR 50 -24.354 10.918 -15.377 390 H PHE 51 H PHE 51 -16.050 12.163 -14.141 391 HA PHE 51 HA PHE 51 -13.687 12.355 -15.871 392 1HB PHE 51 2HB PHE 51 -13.971 12.694 -12.878 393 2HB PHE 51 3HB PHE 51 -12.450 12.803 -13.758 394 HD1 PHE 51 HD1 PHE 51 -15.800 14.347 -13.426 395 HD2 PHE 51 HD2 PHE 51 -11.785 14.804 -14.764 396 HE1 PHE 51 HE1 PHE 51 -16.210 16.739 -13.828 397 HE2 PHE 51 HE2 PHE 51 -12.188 17.197 -15.167 398 HZ PHE 51 HZ PHE 51 -14.402 18.168 -14.698 399 H ARG 52 H ARG 52 -12.291 10.704 -16.099 400 HA ARG 52 HA ARG 52 -12.640 8.344 -14.375 401 1HB ARG 52 2HB ARG 52 -12.038 8.162 -17.323 402 2HB ARG 52 3HB ARG 52 -12.498 6.864 -16.229 403 1HG ARG 52 2HG ARG 52 -14.300 9.157 -16.968 404 2HG ARG 52 3HG ARG 52 -14.294 7.594 -17.787 405 1HD ARG 52 2HD ARG 52 -14.927 6.470 -15.757 406 2HD ARG 52 3HD ARG 52 -14.767 7.963 -14.833 407 HE ARG 52 HE ARG 52 -16.621 8.623 -16.660 408 1HH1 ARG 52 2HH1 ARG 52 -16.310 5.888 -14.527 409 2HH1 ARG 52 1HH1 ARG 52 -18.019 5.648 -14.374 410 1HH2 ARG 52 2HH2 ARG 52 -18.873 8.316 -16.466 411 2HH2 ARG 52 1HH2 ARG 52 -19.476 7.029 -15.478 412 H ILE 53 H ILE 53 -10.799 7.326 -13.731 413 HA ILE 53 HA ILE 53 -8.258 8.484 -14.674 414 HB ILE 53 HB ILE 53 -7.390 8.500 -12.567 415 1HG1 ILE 53 2HG1 ILE 53 -8.553 6.998 -10.726 416 2HG1 ILE 53 3HG1 ILE 53 -9.122 6.102 -12.131 417 1HG2 ILE 53 1HG2 ILE 53 -9.660 9.762 -12.732 418 2HG2 ILE 53 2HG2 ILE 53 -10.213 8.535 -11.595 419 3HG2 ILE 53 3HG2 ILE 53 -8.866 9.589 -11.167 420 1HD1 ILE 53 1HD1 ILE 53 -6.511 6.146 -10.887 421 2HD1 ILE 53 2HD1 ILE 53 -7.212 4.984 -12.013 422 3HD1 ILE 53 3HD1 ILE 53 -6.431 6.442 -12.623 423 H LEU 54 H LEU 54 -6.679 7.142 -15.359 424 HA LEU 54 HA LEU 54 -7.178 4.245 -15.139 425 1HB LEU 54 2HB LEU 54 -7.302 5.562 -17.440 426 2HB LEU 54 3HB LEU 54 -5.556 5.330 -17.379 427 HG LEU 54 HG LEU 54 -7.719 3.258 -17.590 428 1HD1 LEU 54 1HD1 LEU 54 -6.269 4.534 -19.491 429 2HD1 LEU 54 2HD1 LEU 54 -6.947 2.916 -19.668 430 3HD1 LEU 54 3HD1 LEU 54 -5.262 3.118 -19.188 431 1HD2 LEU 54 1HD2 LEU 54 -4.914 2.953 -16.582 432 2HD2 LEU 54 2HD2 LEU 54 -5.719 1.639 -17.440 433 3HD2 LEU 54 3HD2 LEU 54 -6.408 2.268 -15.943 434 H PHE 55 H PHE 55 -5.718 3.246 -13.937 435 HA PHE 55 HA PHE 55 -2.968 4.304 -13.892 436 1HB PHE 55 2HB PHE 55 -3.652 4.717 -11.720 437 2HB PHE 55 3HB PHE 55 -4.727 3.323 -11.683 438 HD1 PHE 55 HD1 PHE 55 -4.075 2.061 -9.862 439 HD2 PHE 55 HD2 PHE 55 -1.111 3.550 -12.530 440 HE1 PHE 55 HE1 PHE 55 -2.355 0.768 -8.668 441 HE2 PHE 55 HE2 PHE 55 0.613 2.259 -11.341 442 HZ PHE 55 HZ PHE 55 -0.008 0.865 -9.408 443 H GLN 56 H GLN 56 -1.560 2.976 -14.804 444 HA GLN 56 HA GLN 56 -1.897 0.082 -14.451 445 1HB GLN 56 2HB GLN 56 -1.275 -0.308 -16.793 446 2HB GLN 56 3HB GLN 56 -2.767 0.614 -16.668 447 1HG GLN 56 2HG GLN 56 -1.341 2.686 -16.985 448 2HG GLN 56 3HG GLN 56 -0.040 1.589 -17.445 449 1HE2 GLN 56 1HE2 GLN 56 0.006 0.786 -19.456 450 2HE2 GLN 56 2HE2 GLN 56 -1.201 1.069 -20.658 451 H SER 57 H SER 57 0.042 -1.139 -14.584 452 HA SER 57 HA SER 57 2.398 0.423 -13.853 453 1HB SER 57 2HB SER 57 1.393 -2.268 -13.253 454 2HB SER 57 3HB SER 57 3.122 -2.219 -13.594 455 HG SER 57 HG SER 57 1.690 -0.791 -11.612 456 H LYS 58 H LYS 58 4.541 -0.731 -14.575 457 HA LYS 58 HA LYS 58 4.438 -0.829 -17.497 458 1HB LYS 58 2HB LYS 58 6.044 0.642 -16.007 459 2HB LYS 58 3HB LYS 58 6.999 -0.834 -15.953 460 1HG LYS 58 2HG LYS 58 6.071 0.117 -18.605 461 2HG LYS 58 3HG LYS 58 7.367 1.010 -17.806 462 1HD LYS 58 2HD LYS 58 7.422 -1.976 -18.197 463 2HD LYS 58 3HD LYS 58 8.101 -0.838 -19.363 464 1HE LYS 58 2HE LYS 58 9.410 0.104 -17.358 465 2HE LYS 58 3HE LYS 58 8.971 -1.398 -16.547 466 1HZ LYS 58 1HZ LYS 58 10.380 -1.269 -19.155 467 2HZ LYS 58 2HZ LYS 58 10.088 -2.651 -18.225 468 3HZ LYS 58 3HZ LYS 58 11.158 -1.466 -17.666 469 H LYS 59 H LYS 59 5.360 -2.747 -14.710 470 HA LYS 59 HA LYS 59 6.319 -4.912 -16.417 471 1HB LYS 59 2HB LYS 59 6.936 -4.020 -13.798 472 2HB LYS 59 3HB LYS 59 6.240 -5.628 -13.643 473 1HG LYS 59 2HG LYS 59 8.058 -6.611 -14.470 474 2HG LYS 59 3HG LYS 59 8.195 -5.446 -15.790 475 1HD LYS 59 2HD LYS 59 8.944 -4.684 -12.990 476 2HD LYS 59 3HD LYS 59 10.078 -5.563 -14.018 477 1HE LYS 59 2HE LYS 59 9.122 -3.527 -15.640 478 2HE LYS 59 3HE LYS 59 9.309 -2.765 -14.062 479 1HZ LYS 59 1HZ LYS 59 11.292 -3.006 -15.800 480 2HZ LYS 59 2HZ LYS 59 11.507 -4.451 -14.948 481 3HZ LYS 59 3HZ LYS 59 11.539 -2.973 -14.126 482 H LEU 60 H LEU 60 3.412 -3.865 -15.298 483 HA LEU 60 HA LEU 60 2.045 -5.932 -14.179 484 1HB LEU 60 2HB LEU 60 0.082 -4.984 -14.973 485 2HB LEU 60 3HB LEU 60 1.214 -3.633 -14.940 486 HG LEU 60 HG LEU 60 1.549 -4.348 -17.477 487 1HD1 LEU 60 1HD1 LEU 60 -1.358 -4.852 -17.351 488 2HD1 LEU 60 2HD1 LEU 60 -0.303 -6.179 -16.866 489 3HD1 LEU 60 3HD1 LEU 60 -0.143 -5.467 -18.472 490 1HD2 LEU 60 1HD2 LEU 60 0.288 -2.300 -16.117 491 2HD2 LEU 60 2HD2 LEU 60 -0.938 -2.868 -17.251 492 3HD2 LEU 60 3HD2 LEU 60 0.640 -2.347 -17.844 493 H SER 61 H SER 61 1.624 -7.973 -14.690 494 HA SER 61 HA SER 61 2.020 -8.823 -17.480 495 1HB SER 61 2HB SER 61 3.356 -9.778 -15.381 496 2HB SER 61 3HB SER 61 1.934 -10.814 -15.262 497 HG SER 61 HG SER 61 3.577 -10.495 -17.557 498 H GLU 62 H GLU 62 0.558 -10.286 -18.429 499 HA GLU 62 HA GLU 62 -2.162 -9.860 -17.714 500 1HB GLU 62 2HB GLU 62 -0.799 -11.591 -19.763 501 2HB GLU 62 3HB GLU 62 -2.540 -11.649 -19.527 502 1HG GLU 62 2HG GLU 62 -2.226 -10.167 -21.298 503 2HG GLU 62 3HG GLU 62 -2.518 -9.136 -19.898 504 H LEU 63 H LEU 63 0.183 -12.202 -16.836 505 HA LEU 63 HA LEU 63 -1.780 -14.183 -16.022 506 1HB LEU 63 2HB LEU 63 1.186 -14.195 -15.512 507 2HB LEU 63 3HB LEU 63 0.078 -15.564 -15.438 508 HG LEU 63 HG LEU 63 0.447 -14.129 -18.030 509 1HD1 LEU 63 1HD1 LEU 63 2.718 -14.513 -17.211 510 2HD1 LEU 63 2HD1 LEU 63 2.338 -15.557 -18.580 511 3HD1 LEU 63 3HD1 LEU 63 2.335 -16.214 -16.944 512 1HD2 LEU 63 1HD2 LEU 63 -0.641 -16.663 -17.046 513 2HD2 LEU 63 2HD2 LEU 63 0.365 -16.816 -18.487 514 3HD2 LEU 63 3HD2 LEU 63 -1.036 -15.743 -18.498 515 H HIS 64 H HIS 64 -0.749 -15.182 -13.707 516 HA HIS 64 HA HIS 64 -0.781 -14.945 -11.444 517 1HB HIS 64 2HB HIS 64 -0.068 -12.043 -11.866 518 2HB HIS 64 3HB HIS 64 0.279 -13.049 -10.463 519 HD1 HIS 64 HD1 HIS 64 2.080 -11.535 -12.967 520 HD2 HIS 64 HD2 HIS 64 1.909 -15.478 -11.668 521 HE1 HIS 64 HE1 HIS 64 4.228 -12.591 -13.739 522 HA PRO 65 HA PRO 65 -5.005 -13.046 -11.807 523 1HB PRO 65 2HB PRO 65 -6.325 -15.236 -10.895 524 2HB PRO 65 3HB PRO 65 -5.904 -15.007 -12.596 525 1HG PRO 65 2HG PRO 65 -4.516 -16.638 -10.504 526 2HG PRO 65 3HG PRO 65 -4.867 -17.049 -12.193 527 1HD PRO 65 2HD PRO 65 -2.428 -16.203 -11.375 528 2HD PRO 65 3HD PRO 65 -3.072 -15.844 -12.991 529 H GLU 66 H GLU 66 -3.453 -14.957 -9.277 530 HA GLU 66 HA GLU 66 -5.125 -14.260 -7.141 531 1HB GLU 66 2HB GLU 66 -3.151 -15.982 -7.319 532 2HB GLU 66 3HB GLU 66 -2.184 -14.636 -6.733 533 1HG GLU 66 2HG GLU 66 -3.352 -14.536 -4.703 534 2HG GLU 66 3HG GLU 66 -4.664 -15.541 -5.313 535 H GLU 67 H GLU 67 -2.570 -12.517 -8.733 536 HA GLU 67 HA GLU 67 -2.200 -10.568 -6.669 537 1HB GLU 67 2HB GLU 67 -1.476 -10.410 -9.601 538 2HB GLU 67 3HB GLU 67 -0.873 -9.359 -8.327 539 1HG GLU 67 2HG GLU 67 0.228 -11.258 -7.268 540 2HG GLU 67 3HG GLU 67 -0.386 -12.322 -8.533 541 H ARG 68 H ARG 68 -4.250 -10.875 -9.486 542 HA ARG 68 HA ARG 68 -5.062 -8.243 -9.833 543 1HB ARG 68 2HB ARG 68 -5.924 -10.834 -10.697 544 2HB ARG 68 3HB ARG 68 -7.333 -9.891 -10.230 545 1HG ARG 68 2HG ARG 68 -7.200 -8.608 -12.042 546 2HG ARG 68 3HG ARG 68 -5.463 -8.368 -11.846 547 1HD ARG 68 2HD ARG 68 -6.164 -9.537 -13.961 548 2HD ARG 68 3HD ARG 68 -4.966 -10.387 -12.985 549 HE ARG 68 HE ARG 68 -7.645 -11.189 -12.383 550 1HH1 ARG 68 2HH1 ARG 68 -4.984 -11.647 -14.582 551 2HH1 ARG 68 1HH1 ARG 68 -5.467 -13.248 -15.037 552 1HH2 ARG 68 2HH2 ARG 68 -8.290 -13.295 -12.975 553 2HH2 ARG 68 1HH2 ARG 68 -7.347 -14.184 -14.123 554 H LYS 69 H LYS 69 -6.539 -10.754 -7.786 555 HA LYS 69 HA LYS 69 -8.541 -9.088 -6.698 556 1HB LYS 69 2HB LYS 69 -8.728 -10.852 -4.946 557 2HB LYS 69 3HB LYS 69 -8.786 -11.479 -6.588 558 1HG LYS 69 2HG LYS 69 -6.459 -12.170 -6.424 559 2HG LYS 69 3HG LYS 69 -6.369 -11.506 -4.790 560 1HD LYS 69 2HD LYS 69 -8.382 -13.605 -5.548 561 2HD LYS 69 3HD LYS 69 -6.751 -14.023 -5.018 562 1HE LYS 69 2HE LYS 69 -7.172 -12.674 -2.952 563 2HE LYS 69 3HE LYS 69 -8.847 -12.503 -3.474 564 1HZ LYS 69 1HZ LYS 69 -8.219 -14.389 -1.859 565 2HZ LYS 69 2HZ LYS 69 -7.640 -15.180 -3.238 566 3HZ LYS 69 3HZ LYS 69 -9.268 -14.731 -3.141 567 H LYS 70 H LYS 70 -5.258 -9.859 -5.674 568 HA LYS 70 HA LYS 70 -5.303 -8.739 -3.122 569 1HB LYS 70 2HB LYS 70 -3.452 -10.113 -4.078 570 2HB LYS 70 3HB LYS 70 -2.975 -8.728 -5.051 571 1HG LYS 70 2HG LYS 70 -1.559 -8.866 -3.122 572 2HG LYS 70 3HG LYS 70 -2.596 -7.445 -2.975 573 1HD LYS 70 2HD LYS 70 -2.474 -8.601 -0.849 574 2HD LYS 70 3HD LYS 70 -4.106 -8.732 -1.509 575 1HE LYS 70 2HE LYS 70 -3.807 -10.978 -2.099 576 2HE LYS 70 3HE LYS 70 -2.052 -10.868 -1.980 577 1HZ LYS 70 1HZ LYS 70 -2.579 -10.345 0.494 578 2HZ LYS 70 2HZ LYS 70 -2.583 -11.947 -0.047 579 3HZ LYS 70 3HZ LYS 70 -4.045 -11.122 0.163 580 H VAL 71 H VAL 71 -4.327 -7.222 -6.197 581 HA VAL 71 HA VAL 71 -3.941 -4.645 -5.073 582 HB VAL 71 HB VAL 71 -3.896 -3.836 -7.395 583 1HG1 VAL 71 1HG1 VAL 71 -2.112 -5.539 -6.173 584 2HG1 VAL 71 2HG1 VAL 71 -2.327 -6.258 -7.770 585 3HG1 VAL 71 3HG1 VAL 71 -1.803 -4.580 -7.620 586 1HG2 VAL 71 1HG2 VAL 71 -5.678 -5.251 -8.293 587 2HG2 VAL 71 2HG2 VAL 71 -4.207 -5.386 -9.255 588 3HG2 VAL 71 3HG2 VAL 71 -4.641 -6.668 -8.124 589 H ARG 72 H ARG 72 -6.690 -6.291 -6.488 590 HA ARG 72 HA ARG 72 -8.361 -4.108 -6.968 591 1HB ARG 72 2HB ARG 72 -8.591 -6.943 -6.945 592 2HB ARG 72 3HB ARG 72 -9.927 -6.292 -6.005 593 1HG ARG 72 2HG ARG 72 -10.628 -6.542 -8.277 594 2HG ARG 72 3HG ARG 72 -10.492 -4.820 -7.915 595 1HD ARG 72 2HD ARG 72 -8.630 -4.551 -9.238 596 2HD ARG 72 3HD ARG 72 -8.149 -6.241 -9.086 597 HE ARG 72 HE ARG 72 -9.889 -5.110 -11.064 598 1HH1 ARG 72 2HH1 ARG 72 -9.079 -8.006 -9.310 599 2HH1 ARG 72 1HH1 ARG 72 -9.704 -9.072 -10.524 600 1HH2 ARG 72 2HH2 ARG 72 -10.715 -6.504 -12.670 601 2HH2 ARG 72 1HH2 ARG 72 -10.633 -8.217 -12.435 602 H GLU 73 H GLU 73 -8.200 -6.189 -4.076 603 HA GLU 73 HA GLU 73 -10.005 -4.559 -2.584 604 1HB GLU 73 2HB GLU 73 -9.427 -5.982 -0.693 605 2HB GLU 73 3HB GLU 73 -9.722 -6.958 -2.126 606 1HG GLU 73 2HG GLU 73 -7.300 -7.146 -2.477 607 2HG GLU 73 3HG GLU 73 -7.029 -6.213 -1.006 608 H LYS 74 H LYS 74 -6.515 -4.764 -2.887 609 HA LYS 74 HA LYS 74 -5.808 -3.189 -0.671 610 1HB LYS 74 2HB LYS 74 -4.251 -4.600 -2.044 611 2HB LYS 74 3HB LYS 74 -4.327 -3.369 -3.299 612 1HG LYS 74 2HG LYS 74 -2.346 -2.959 -2.103 613 2HG LYS 74 3HG LYS 74 -3.495 -1.731 -1.567 614 1HD LYS 74 2HD LYS 74 -2.374 -2.572 0.368 615 2HD LYS 74 3HD LYS 74 -4.023 -3.200 0.390 616 1HE LYS 74 2HE LYS 74 -2.354 -4.910 0.987 617 2HE LYS 74 3HE LYS 74 -3.259 -5.330 -0.467 618 1HZ LYS 74 1HZ LYS 74 -0.668 -3.945 -0.682 619 2HZ LYS 74 2HZ LYS 74 -1.445 -4.933 -1.813 620 3HZ LYS 74 3HZ LYS 74 -0.717 -5.620 -0.449 621 H PHE 75 H PHE 75 -6.223 -2.274 -4.090 622 HA PHE 75 HA PHE 75 -5.853 0.505 -3.607 623 1HB PHE 75 2HB PHE 75 -5.862 0.661 -5.851 624 2HB PHE 75 3HB PHE 75 -5.937 -1.098 -5.849 625 HD1 PHE 75 HD1 PHE 75 -7.973 -2.258 -6.386 626 HD2 PHE 75 HD2 PHE 75 -7.844 1.996 -6.285 627 HE1 PHE 75 HE1 PHE 75 -10.135 -2.168 -7.556 628 HE2 PHE 75 HE2 PHE 75 -10.006 2.092 -7.455 629 HZ PHE 75 HZ PHE 75 -11.156 0.009 -8.091 630 H ASP 76 H ASP 76 -8.645 -1.614 -3.745 631 HA ASP 76 HA ASP 76 -10.658 0.336 -3.873 632 1HB ASP 76 2HB ASP 76 -11.349 -1.872 -4.286 633 2HB ASP 76 3HB ASP 76 -10.583 -2.480 -2.820 634 H GLU 77 H GLU 77 -9.202 -1.281 -1.057 635 HA GLU 77 HA GLU 77 -10.697 0.193 0.857 636 1HB GLU 77 2HB GLU 77 -8.101 -1.329 1.145 637 2HB GLU 77 3HB GLU 77 -9.049 -0.701 2.486 638 1HG GLU 77 2HG GLU 77 -10.270 -2.572 0.500 639 2HG GLU 77 3HG GLU 77 -9.287 -3.179 1.832 640 H ASN 78 H ASN 78 -7.354 0.473 -0.324 641 HA ASN 78 HA ASN 78 -6.500 2.586 1.238 642 1HB ASN 78 2HB ASN 78 -5.065 1.283 -0.323 643 2HB ASN 78 3HB ASN 78 -5.806 2.137 -1.673 644 1HD2 ASN 78 1HD2 ASN 78 -4.177 2.795 1.407 645 2HD2 ASN 78 2HD2 ASN 78 -3.269 4.148 0.832 646 H SER 79 H SER 79 -8.443 2.637 -1.699 647 HA SER 79 HA SER 79 -8.416 5.488 -1.955 648 1HB SER 79 2HB SER 79 -9.987 5.176 -3.745 649 2HB SER 79 3HB SER 79 -8.804 3.873 -3.852 650 HG SER 79 HG SER 79 -10.947 3.103 -4.070 651 H ARG 80 H ARG 80 -10.718 3.108 -0.696 652 HA ARG 80 HA ARG 80 -12.702 5.046 -0.019 653 1HB ARG 80 2HB ARG 80 -13.979 3.277 0.695 654 2HB ARG 80 3HB ARG 80 -12.876 2.438 -0.387 655 1HG ARG 80 2HG ARG 80 -12.661 1.055 1.372 656 2HG ARG 80 3HG ARG 80 -11.483 2.260 1.896 657 1HD ARG 80 2HD ARG 80 -12.787 2.987 3.584 658 2HD ARG 80 3HD ARG 80 -14.270 2.822 2.645 659 HE ARG 80 HE ARG 80 -13.374 0.258 3.231 660 1HH1 ARG 80 2HH1 ARG 80 -14.518 3.067 4.939 661 2HH1 ARG 80 1HH1 ARG 80 -15.188 2.157 6.252 662 1HH2 ARG 80 2HH2 ARG 80 -14.252 -0.952 4.954 663 2HH2 ARG 80 1HH2 ARG 80 -15.035 -0.129 6.260 664 H MET 81 H MET 81 -9.732 4.336 1.312 665 HA MET 81 HA MET 81 -9.899 4.237 3.999 666 1HB MET 81 2HB MET 81 -8.076 5.764 2.188 667 2HB MET 81 3HB MET 81 -7.948 6.012 3.924 668 1HG MET 81 2HG MET 81 -7.774 3.327 2.582 669 2HG MET 81 3HG MET 81 -6.383 4.320 3.012 670 1HE MET 81 1HE MET 81 -8.349 1.620 3.614 671 2HE MET 81 2HE MET 81 -7.945 1.068 5.240 672 3HE MET 81 3HE MET 81 -9.392 2.042 4.973 673 H GLN 82 H GLN 82 -10.152 5.677 5.727 674 HA GLN 82 HA GLN 82 -12.235 7.476 5.599 675 1HB GLN 82 2HB GLN 82 -9.925 7.491 7.549 676 2HB GLN 82 3HB GLN 82 -11.461 8.315 7.785 677 1HG GLN 82 2HG GLN 82 -12.542 6.026 7.554 678 2HG GLN 82 3HG GLN 82 -10.916 5.368 7.731 679 1HE2 GLN 82 1HE2 GLN 82 -13.549 5.636 9.397 680 2HE2 GLN 82 2HE2 GLN 82 -12.950 6.010 10.973 681 H TYR 83 H TYR 83 -12.216 9.831 5.983 682 HA TYR 83 HA TYR 83 -10.719 11.161 3.982 683 1HB TYR 83 2HB TYR 83 -12.982 11.724 5.527 684 2HB TYR 83 3HB TYR 83 -11.814 12.963 5.971 685 HD1 TYR 83 HD1 TYR 83 -14.359 12.133 3.723 686 HD2 TYR 83 HD2 TYR 83 -10.573 14.066 3.890 687 HE1 TYR 83 HE1 TYR 83 -14.910 13.375 1.673 688 HE2 TYR 83 HE2 TYR 83 -11.113 15.314 1.840 689 HH TYR 83 HH TYR 83 -13.281 16.058 0.656 690 H SER 84 H SER 84 -10.357 10.841 7.460 691 HA SER 84 HA SER 84 -8.481 12.847 7.929 692 1HB SER 84 2HB SER 84 -9.113 11.985 9.937 693 2HB SER 84 3HB SER 84 -9.314 10.357 9.290 694 HG SER 84 HG SER 84 -6.813 11.592 9.814 695 H GLU 85 H GLU 85 -7.904 9.401 7.221 696 HA GLU 85 HA GLU 85 -5.091 9.639 7.077 697 1HB GLU 85 2HB GLU 85 -6.812 7.546 7.157 698 2HB GLU 85 3HB GLU 85 -6.368 7.525 5.457 699 1HG GLU 85 2HG GLU 85 -4.770 6.149 6.308 700 2HG GLU 85 3HG GLU 85 -3.934 7.697 6.418 701 H LEU 86 H LEU 86 -7.652 9.955 4.696 702 HA LEU 86 HA LEU 86 -6.023 9.939 2.391 703 1HB LEU 86 2HB LEU 86 -8.708 10.008 2.882 704 2HB LEU 86 3HB LEU 86 -8.409 11.636 2.278 705 HG LEU 86 HG LEU 86 -9.144 10.080 0.518 706 1HD1 LEU 86 1HD1 LEU 86 -6.737 11.691 0.491 707 2HD1 LEU 86 2HD1 LEU 86 -8.028 11.565 -0.704 708 3HD1 LEU 86 3HD1 LEU 86 -6.694 10.412 -0.723 709 1HD2 LEU 86 1HD2 LEU 86 -7.477 8.273 1.771 710 2HD2 LEU 86 2HD2 LEU 86 -6.610 8.676 0.288 711 3HD2 LEU 86 3HD2 LEU 86 -8.260 8.057 0.205 712 H MET 87 H MET 87 -7.202 12.564 4.459 713 HA MET 87 HA MET 87 -5.838 14.573 2.891 714 1HB MET 87 2HB MET 87 -7.767 14.529 5.102 715 2HB MET 87 3HB MET 87 -6.576 15.818 5.223 716 1HG MET 87 2HG MET 87 -8.314 15.298 2.822 717 2HG MET 87 3HG MET 87 -8.640 16.499 4.069 718 1HE MET 87 1HE MET 87 -7.834 16.473 0.610 719 2HE MET 87 2HE MET 87 -6.174 17.020 0.379 720 3HE MET 87 3HE MET 87 -6.490 15.426 1.065 721 H THR 88 H THR 88 -5.154 12.565 5.594 722 HA THR 88 HA THR 88 -3.100 14.218 6.730 723 HB THR 88 HB THR 88 -4.123 11.465 7.233 724 HG1 THR 88 HG1 THR 88 -3.554 13.780 8.788 725 1HG2 THR 88 1HG2 THR 88 -2.210 11.215 8.913 726 2HG2 THR 88 2HG2 THR 88 -1.369 12.434 7.956 727 3HG2 THR 88 3HG2 THR 88 -1.839 10.903 7.218 728 H LYS 89 H LYS 89 -3.207 11.444 4.545 729 HA LYS 89 HA LYS 89 -0.360 11.180 4.380 730 1HB LYS 89 2HB LYS 89 -2.598 9.667 3.586 731 2HB LYS 89 3HB LYS 89 -1.734 10.061 2.106 732 1HG LYS 89 2HG LYS 89 -0.714 8.103 2.686 733 2HG LYS 89 3HG LYS 89 0.353 9.267 3.474 734 1HD LYS 89 2HD LYS 89 -1.972 8.236 5.013 735 2HD LYS 89 3HD LYS 89 -0.602 7.154 4.756 736 1HE LYS 89 2HE LYS 89 0.377 9.721 5.521 737 2HE LYS 89 3HE LYS 89 -0.873 9.228 6.662 738 1HZ LYS 89 1HZ LYS 89 1.781 8.228 6.342 739 2HZ LYS 89 2HZ LYS 89 0.638 6.983 6.291 740 3HZ LYS 89 3HZ LYS 89 0.701 8.018 7.627 741 H TYR 90 H TYR 90 -2.517 13.403 3.130 742 HA TYR 90 HA TYR 90 -0.791 13.982 0.817 743 1HB TYR 90 2HB TYR 90 -3.016 13.673 0.060 744 2HB TYR 90 3HB TYR 90 -3.681 14.629 1.379 745 HD1 TYR 90 HD1 TYR 90 -1.481 14.932 -1.616 746 HD2 TYR 90 HD2 TYR 90 -4.191 16.871 1.030 747 HE1 TYR 90 HE1 TYR 90 -1.452 16.926 -3.056 748 HE2 TYR 90 HE2 TYR 90 -4.170 18.869 -0.404 749 HH TYR 90 HH TYR 90 -2.281 19.827 -2.197 750 H HIS 91 H HIS 91 -2.247 15.323 3.713 751 HA HIS 91 HA HIS 91 -0.972 17.910 3.244 752 1HB HIS 91 2HB HIS 91 -3.292 17.928 4.022 753 2HB HIS 91 3HB HIS 91 -2.836 16.998 5.446 754 HD1 HIS 91 HD1 HIS 91 -1.849 20.327 3.875 755 HD2 HIS 91 HD2 HIS 91 -2.416 18.571 7.597 756 HE1 HIS 91 HE1 HIS 91 -1.478 22.166 5.550 757 H ASP 92 H ASP 92 -0.601 15.024 5.108 758 HA ASP 92 HA ASP 92 1.416 16.281 6.823 759 1HB ASP 92 2HB ASP 92 -0.531 14.498 7.462 760 2HB ASP 92 3HB ASP 92 0.822 13.409 7.169 761 H LEU 93 H LEU 93 1.040 13.391 4.771 762 HA LEU 93 HA LEU 93 3.723 12.604 4.805 763 1HB LEU 93 2HB LEU 93 1.391 11.668 3.685 764 2HB LEU 93 3HB LEU 93 2.359 12.099 2.277 765 HG LEU 93 HG LEU 93 2.642 9.756 2.798 766 1HD1 LEU 93 1HD1 LEU 93 4.993 9.654 2.764 767 2HD1 LEU 93 2HD1 LEU 93 5.153 11.156 3.673 768 3HD1 LEU 93 3HD1 LEU 93 4.575 11.191 2.007 769 1HD2 LEU 93 1HD2 LEU 93 2.258 10.384 5.372 770 2HD2 LEU 93 2HD2 LEU 93 4.019 10.277 5.362 771 3HD2 LEU 93 3HD2 LEU 93 3.048 8.895 4.851 772 H LYS 94 H LYS 94 2.206 15.236 3.246 773 HA LYS 94 HA LYS 94 3.920 15.553 1.021 774 1HB LYS 94 2HB LYS 94 3.135 17.958 1.120 775 2HB LYS 94 3HB LYS 94 1.868 16.744 0.996 776 1HG LYS 94 2HG LYS 94 0.903 17.765 2.714 777 2HG LYS 94 3HG LYS 94 2.180 17.075 3.718 778 1HD LYS 94 2HD LYS 94 2.822 19.581 2.278 779 2HD LYS 94 3HD LYS 94 1.666 19.702 3.606 780 1HE LYS 94 2HE LYS 94 3.600 18.142 4.712 781 2HE LYS 94 3HE LYS 94 4.555 19.176 3.650 782 1HZ LYS 94 1HZ LYS 94 3.393 19.804 6.137 783 2HZ LYS 94 2HZ LYS 94 2.721 20.808 4.953 784 3HZ LYS 94 3HZ LYS 94 4.398 20.760 5.168 785 H LYS 95 H LYS 95 4.465 15.922 4.339 786 HA LYS 95 HA LYS 95 6.230 18.062 4.498 787 1HB LYS 95 2HB LYS 95 5.432 16.958 6.491 788 2HB LYS 95 3HB LYS 95 6.206 15.451 6.020 789 1HG LYS 95 2HG LYS 95 7.435 16.629 7.784 790 2HG LYS 95 3HG LYS 95 8.392 16.436 6.314 791 1HD LYS 95 2HD LYS 95 8.682 18.671 7.214 792 2HD LYS 95 3HD LYS 95 7.830 18.745 5.670 793 1HE LYS 95 2HE LYS 95 5.773 19.198 6.705 794 2HE LYS 95 3HE LYS 95 6.356 18.678 8.285 795 1HZ LYS 95 1HZ LYS 95 7.880 20.848 7.200 796 2HZ LYS 95 2HZ LYS 95 7.147 20.698 8.717 797 3HZ LYS 95 3HZ LYS 95 6.246 21.244 7.394 798 H GLN 96 H GLN 96 6.842 14.696 3.594 799 HA GLN 96 HA GLN 96 9.488 15.534 2.609 800 1HB GLN 96 2HB GLN 96 8.741 12.888 3.864 801 2HB GLN 96 3HB GLN 96 10.292 13.242 3.116 802 1HG GLN 96 2HG GLN 96 10.602 15.067 4.779 803 2HG GLN 96 3HG GLN 96 9.128 14.519 5.576 804 1HE2 GLN 96 1HE2 GLN 96 12.464 13.878 4.966 805 2HE2 GLN 96 2HE2 GLN 96 12.634 12.562 6.072 806 H GLY 97 H GLY 97 6.841 15.344 1.274 807 1HA GLY 97 2HA GLY 97 7.666 13.490 -0.868 808 2HA GLY 97 3HA GLY 97 6.001 13.529 -0.306 809 H LYS 98 H LYS 98 6.197 13.899 -2.875 810 HA LYS 98 HA LYS 98 5.663 16.758 -3.217 811 1HB LYS 98 2HB LYS 98 6.865 16.761 -5.379 812 2HB LYS 98 3HB LYS 98 7.935 16.479 -4.012 813 1HG LYS 98 2HG LYS 98 8.713 14.885 -5.427 814 2HG LYS 98 3HG LYS 98 7.454 13.951 -4.616 815 1HD LYS 98 2HD LYS 98 6.038 14.029 -6.437 816 2HD LYS 98 3HD LYS 98 6.774 15.500 -7.078 817 1HE LYS 98 2HE LYS 98 8.370 12.978 -6.933 818 2HE LYS 98 3HE LYS 98 7.205 13.201 -8.237 819 1HZ LYS 98 1HZ LYS 98 9.690 13.987 -8.456 820 2HZ LYS 98 2HZ LYS 98 9.084 15.376 -7.705 821 3HZ LYS 98 3HZ LYS 98 8.425 14.853 -9.173 822 H ILE 99 H ILE 99 4.198 17.256 -4.888 823 HA ILE 99 HA ILE 99 2.970 15.037 -6.330 824 HB ILE 99 HB ILE 99 1.558 15.035 -4.439 825 1HG1 ILE 99 2HG1 ILE 99 0.108 16.882 -6.330 826 2HG1 ILE 99 3HG1 ILE 99 0.478 15.215 -6.756 827 1HG2 ILE 99 1HG2 ILE 99 0.561 17.046 -3.477 828 2HG2 ILE 99 2HG2 ILE 99 2.321 17.126 -3.443 829 3HG2 ILE 99 3HG2 ILE 99 1.420 18.039 -4.653 830 1HD1 ILE 99 1HD1 ILE 99 -1.769 16.125 -5.439 831 2HD1 ILE 99 2HD1 ILE 99 -1.233 14.450 -5.573 832 3HD1 ILE 99 3HD1 ILE 99 -0.785 15.408 -4.162 833 H LYS 100 H LYS 100 2.099 15.605 -8.276 834 HA LYS 100 HA LYS 100 2.106 18.470 -8.959 835 1HB LYS 100 2HB LYS 100 2.896 16.238 -10.835 836 2HB LYS 100 3HB LYS 100 2.995 17.968 -11.139 837 1HG LYS 100 2HG LYS 100 4.585 17.976 -9.088 838 2HG LYS 100 3HG LYS 100 4.724 16.248 -9.420 839 1HD LYS 100 2HD LYS 100 6.476 17.138 -10.649 840 2HD LYS 100 3HD LYS 100 5.194 17.007 -11.855 841 1HE LYS 100 2HE LYS 100 4.649 19.366 -11.538 842 2HE LYS 100 3HE LYS 100 5.908 19.500 -10.312 843 1HZ LYS 100 1HZ LYS 100 6.654 18.518 -12.970 844 2HZ LYS 100 2HZ LYS 100 7.558 19.421 -11.862 845 3HZ LYS 100 3HZ LYS 100 6.356 20.173 -12.785 846 H ASP 101 H ASP 101 0.423 19.218 -10.170 847 HA ASP 101 HA ASP 101 -1.765 17.315 -10.639 848 1HB ASP 101 2HB ASP 101 -2.322 19.183 -9.171 849 2HB ASP 101 3HB ASP 101 -1.807 20.331 -10.404 850 H ARG 102 H ARG 102 -1.167 16.492 -12.635 851 HA ARG 102 HA ARG 102 -0.426 18.160 -14.830 852 1HB ARG 102 2HB ARG 102 -1.106 15.258 -14.511 853 2HB ARG 102 3HB ARG 102 -0.978 15.956 -16.120 854 1HG ARG 102 2HG ARG 102 1.203 16.108 -14.055 855 2HG ARG 102 3HG ARG 102 1.094 14.849 -15.287 856 1HD ARG 102 2HD ARG 102 1.107 16.645 -17.017 857 2HD ARG 102 3HD ARG 102 1.403 17.814 -15.731 858 HE ARG 102 HE ARG 102 3.317 15.712 -15.686 859 1HH1 ARG 102 2HH1 ARG 102 2.447 18.644 -17.349 860 2HH1 ARG 102 1HH1 ARG 102 4.067 18.994 -17.852 861 1HH2 ARG 102 2HH2 ARG 102 5.455 16.161 -16.342 862 2HH2 ARG 102 1HH2 ARG 102 5.777 17.581 -17.279 863 HA PRO 103 HA PRO 103 -4.310 19.311 -16.515 864 1HB PRO 103 2HB PRO 103 -3.850 19.120 -19.183 865 2HB PRO 103 3HB PRO 103 -3.152 20.394 -18.177 866 1HG PRO 103 2HG PRO 103 -1.906 17.851 -19.148 867 2HG PRO 103 3HG PRO 103 -1.213 19.481 -19.079 868 1HD PRO 103 2HD PRO 103 -0.661 17.584 -17.227 869 2HD PRO 103 3HD PRO 103 -0.722 19.314 -16.833 870 H VAL 104 H VAL 104 -6.224 18.356 -16.885 871 HA VAL 104 HA VAL 104 -6.400 15.532 -17.163 872 HB VAL 104 HB VAL 104 -8.073 16.912 -15.940 873 1HG1 VAL 104 1HG1 VAL 104 -9.476 18.404 -16.939 874 2HG1 VAL 104 2HG1 VAL 104 -8.079 18.580 -18.003 875 3HG1 VAL 104 3HG1 VAL 104 -9.439 17.570 -18.492 876 1HG2 VAL 104 1HG2 VAL 104 -9.144 15.197 -18.179 877 2HG2 VAL 104 2HG2 VAL 104 -8.615 14.639 -16.592 878 3HG2 VAL 104 3HG2 VAL 104 -10.043 15.663 -16.735 879 H LYS 105 H LYS 105 -6.813 14.279 -18.903 880 HA LYS 105 HA LYS 105 -6.562 15.510 -21.519 881 1HB LYS 105 2HB LYS 105 -6.268 12.788 -20.396 882 2HB LYS 105 3HB LYS 105 -6.847 12.874 -22.055 883 1HG LYS 105 2HG LYS 105 -4.350 14.239 -21.080 884 2HG LYS 105 3HG LYS 105 -4.379 12.637 -21.822 885 1HD LYS 105 2HD LYS 105 -5.314 13.574 -23.860 886 2HD LYS 105 3HD LYS 105 -5.377 15.174 -23.118 887 1HE LYS 105 2HE LYS 105 -3.439 15.157 -24.468 888 2HE LYS 105 3HE LYS 105 -2.875 14.985 -22.807 889 1HZ LYS 105 1HZ LYS 105 -2.166 13.385 -24.858 890 2HZ LYS 105 2HZ LYS 105 -3.393 12.480 -24.128 891 3HZ LYS 105 3HZ LYS 105 -2.051 12.967 -23.222 892 H GLU 106 H GLU 106 -8.083 15.452 -23.144 893 HA GLU 106 HA GLU 106 -10.825 15.250 -22.283 894 1HB GLU 106 2HB GLU 106 -9.459 16.094 -24.817 895 2HB GLU 106 3HB GLU 106 -11.191 15.793 -24.807 896 1HG GLU 106 2HG GLU 106 -10.862 18.119 -24.489 897 2HG GLU 106 3HG GLU 106 -11.394 17.443 -22.951 898 H VAL 107 H VAL 107 -12.305 13.719 -22.810 899 HA VAL 107 HA VAL 107 -11.283 11.336 -24.204 900 HB VAL 107 HB VAL 107 -13.249 11.692 -21.982 901 1HG1 VAL 107 1HG1 VAL 107 -14.646 10.481 -23.404 902 2HG1 VAL 107 2HG1 VAL 107 -13.310 9.536 -24.066 903 3HG1 VAL 107 3HG1 VAL 107 -13.873 9.239 -22.420 904 1HG2 VAL 107 1HG2 VAL 107 -11.402 10.922 -20.968 905 2HG2 VAL 107 2HG2 VAL 107 -11.904 9.352 -21.595 906 3HG2 VAL 107 3HG2 VAL 107 -10.712 10.311 -22.472 907 H HIS 108 H HIS 108 -12.378 10.460 -25.903 908 HA HIS 108 HA HIS 108 -14.721 11.966 -26.868 909 1HB HIS 108 2HB HIS 108 -12.359 10.816 -28.299 910 2HB HIS 108 3HB HIS 108 -13.900 10.922 -29.145 911 HD1 HIS 108 HD1 HIS 108 -11.896 13.347 -26.985 912 HD2 HIS 108 HD2 HIS 108 -13.969 13.196 -30.583 913 HE1 HIS 108 HE1 HIS 108 -11.709 15.654 -27.967 914 H GLU 109 H GLU 109 -15.932 10.534 -28.599 915 HA GLU 109 HA GLU 109 -16.884 8.236 -27.149 916 1HB GLU 109 2HB GLU 109 -17.741 8.988 -29.930 917 2HB GLU 109 3HB GLU 109 -18.670 8.182 -28.674 918 1HG GLU 109 2HG GLU 109 -19.589 10.166 -28.294 919 2HG GLU 109 3HG GLU 109 -18.064 10.592 -27.518 920 H GLU 110 H GLU 110 -17.173 6.117 -28.178 921 HA GLU 110 HA GLU 110 -16.322 4.231 -29.123 922 1HB GLU 110 2HB GLU 110 -15.683 6.309 -31.188 923 2HB GLU 110 3HB GLU 110 -15.109 4.660 -31.394 924 1HG GLU 110 2HG GLU 110 -17.061 4.398 -32.463 925 2HG GLU 110 3HG GLU 110 -17.692 4.183 -30.832 926 H TYR 111 H TYR 111 -14.815 5.202 -27.075 927 HA TYR 111 HA TYR 111 -12.214 4.146 -27.729 928 1HB TYR 111 2HB TYR 111 -12.633 7.053 -27.138 929 2HB TYR 111 3HB TYR 111 -11.156 6.263 -26.597 930 HD1 TYR 111 HD1 TYR 111 -10.143 4.666 -28.594 931 HD2 TYR 111 HD2 TYR 111 -12.426 8.219 -29.107 932 HE1 TYR 111 HE1 TYR 111 -9.157 4.970 -30.827 933 HE2 TYR 111 HE2 TYR 111 -11.448 8.532 -31.341 934 HH TYR 111 HH TYR 111 -10.335 6.692 -33.138 935 H ASP 112 H ASP 112 -14.096 3.080 -26.091 936 HA ASP 112 HA ASP 112 -14.159 3.780 -23.426 937 1HB ASP 112 2HB ASP 112 -14.339 1.199 -23.074 938 2HB ASP 112 3HB ASP 112 -15.595 2.040 -23.977 939 H LEU 113 H LEU 113 -12.983 3.126 -21.584 940 HA LEU 113 HA LEU 113 -10.137 2.841 -22.089 941 1HB LEU 113 2HB LEU 113 -11.657 3.230 -19.515 942 2HB LEU 113 3HB LEU 113 -9.902 3.241 -19.675 943 HG LEU 113 HG LEU 113 -10.523 5.496 -19.521 944 1HD1 LEU 113 1HD1 LEU 113 -9.140 4.642 -21.623 945 2HD1 LEU 113 2HD1 LEU 113 -9.525 6.345 -21.374 946 3HD1 LEU 113 3HD1 LEU 113 -10.496 5.374 -22.481 947 1HD2 LEU 113 1HD2 LEU 113 -12.978 4.901 -20.076 948 2HD2 LEU 113 2HD2 LEU 113 -12.521 5.270 -21.739 949 3HD2 LEU 113 3HD2 LEU 113 -12.373 6.505 -20.488 950 H TRP 114 H TRP 114 -11.749 1.483 -19.285 951 HA TRP 114 HA TRP 114 -10.416 -1.057 -19.782 952 1HB TRP 114 2HB TRP 114 -11.499 0.346 -17.429 953 2HB TRP 114 3HB TRP 114 -11.747 -1.398 -17.424 954 HD1 TRP 114 HD1 TRP 114 -8.854 1.158 -17.680 955 HE1 TRP 114 HE1 TRP 114 -6.729 0.054 -16.736 956 HE3 TRP 114 HE3 TRP 114 -10.692 -3.534 -16.821 957 HZ2 TRP 114 HZ2 TRP 114 -5.938 -2.473 -15.757 958 HZ3 TRP 114 HZ3 TRP 114 -9.186 -5.236 -15.879 959 HH2 TRP 114 HH2 TRP 114 -6.858 -4.715 -15.360 960 H GLU 115 H GLU 115 -13.669 0.263 -19.465 961 HA GLU 115 HA GLU 115 -15.701 -0.540 -20.103 962 1HB GLU 115 2HB GLU 115 -13.801 -1.998 -21.791 963 2HB GLU 115 3HB GLU 115 -15.317 -2.853 -21.540 964 1HG GLU 115 2HG GLU 115 -15.907 -0.135 -22.116 965 2HG GLU 115 3HG GLU 115 -14.765 -0.731 -23.319 966 H ASP 116 H ASP 116 -15.410 -1.068 -17.642 967 HA ASP 116 HA ASP 116 -16.863 -3.350 -17.064 968 1HB ASP 116 2HB ASP 116 -15.246 -4.919 -17.437 969 2HB ASP 116 3HB ASP 116 -13.929 -3.783 -17.158 970 HA PRO 117 HA PRO 117 -15.042 -1.692 -12.921 971 1HB PRO 117 2HB PRO 117 -12.968 0.054 -13.059 972 2HB PRO 117 3HB PRO 117 -12.745 -1.697 -12.986 973 1HG PRO 117 2HG PRO 117 -12.678 0.123 -15.361 974 2HG PRO 117 3HG PRO 117 -11.600 -1.225 -14.954 975 1HD PRO 117 2HD PRO 117 -13.609 -1.460 -16.754 976 2HD PRO 117 3HD PRO 117 -13.083 -2.810 -15.729 977 H ILE 118 H ILE 118 -14.050 1.017 -15.007 978 HA ILE 118 HA ILE 118 -15.786 2.820 -13.580 979 HB ILE 118 HB ILE 118 -14.770 4.565 -14.739 980 1HG1 ILE 118 2HG1 ILE 118 -15.260 3.690 -17.008 981 2HG1 ILE 118 3HG1 ILE 118 -13.637 4.358 -16.879 982 1HG2 ILE 118 1HG2 ILE 118 -13.185 3.390 -13.305 983 2HG2 ILE 118 2HG2 ILE 118 -12.708 2.367 -14.658 984 3HG2 ILE 118 3HG2 ILE 118 -12.371 4.097 -14.700 985 1HD1 ILE 118 1HD1 ILE 118 -14.390 1.447 -16.867 986 2HD1 ILE 118 2HD1 ILE 118 -13.576 2.331 -18.158 987 3HD1 ILE 118 3HD1 ILE 118 -12.759 2.069 -16.617 988 H TRP 119 H TRP 119 -16.144 0.749 -16.214 989 HA TRP 119 HA TRP 119 -17.802 2.180 -17.944 990 1HB TRP 119 2HB TRP 119 -16.871 -0.002 -18.527 991 2HB TRP 119 3HB TRP 119 -17.846 -0.771 -17.278 992 HD1 TRP 119 HD1 TRP 119 -18.165 0.860 -20.737 993 HE1 TRP 119 HE1 TRP 119 -20.401 0.127 -21.781 994 HE3 TRP 119 HE3 TRP 119 -20.170 -1.593 -16.724 995 HZ2 TRP 119 HZ2 TRP 119 -22.709 -1.301 -21.006 996 HZ3 TRP 119 HZ3 TRP 119 -22.396 -2.614 -16.958 997 HH2 TRP 119 HH2 TRP 119 -23.638 -2.469 -19.055 998 H GLN 120 H GLN 120 -18.403 0.930 -14.794 999 HA GLN 120 HA GLN 120 -21.258 1.600 -15.083 1000 1HB GLN 120 2HB GLN 120 -21.063 -0.770 -14.717 1001 2HB GLN 120 3HB GLN 120 -19.961 -0.521 -13.369 1002 1HG GLN 120 2HG GLN 120 -21.696 0.386 -12.017 1003 2HG GLN 120 3HG GLN 120 -22.810 0.435 -13.382 1004 1HE2 GLN 120 1HE2 GLN 120 -23.435 -0.804 -10.985 1005 2HE2 GLN 120 2HE2 GLN 120 -23.561 -2.507 -11.249 1006 H TYR 121 H TYR 121 -19.116 0.984 -12.310 1007 HA TYR 121 HA TYR 121 -19.233 3.737 -11.463 1008 1HB TYR 121 2HB TYR 121 -21.366 2.263 -10.685 1009 2HB TYR 121 3HB TYR 121 -20.257 1.925 -9.360 1010 HD1 TYR 121 HD1 TYR 121 -21.350 4.903 -11.351 1011 HD2 TYR 121 HD2 TYR 121 -20.470 3.283 -7.517 1012 HE1 TYR 121 HE1 TYR 121 -21.948 7.051 -10.313 1013 HE2 TYR 121 HE2 TYR 121 -21.066 5.426 -6.468 1014 HH TYR 121 HH TYR 121 -21.086 8.104 -7.640 1015 H ILE 122 H ILE 122 -18.359 3.724 -8.999 1016 HA ILE 122 HA ILE 122 -15.689 3.045 -9.106 1017 HB ILE 122 HB ILE 122 -15.581 3.397 -6.717 1018 1HG1 ILE 122 2HG1 ILE 122 -18.603 3.249 -6.769 1019 2HG1 ILE 122 3HG1 ILE 122 -17.528 2.042 -6.072 1020 1HG2 ILE 122 1HG2 ILE 122 -17.584 5.229 -8.028 1021 2HG2 ILE 122 2HG2 ILE 122 -16.661 5.600 -6.573 1022 3HG2 ILE 122 3HG2 ILE 122 -15.828 5.368 -8.110 1023 1HD1 ILE 122 1HD1 ILE 122 -16.823 4.465 -4.873 1024 2HD1 ILE 122 2HD1 ILE 122 -18.587 4.430 -4.902 1025 3HD1 ILE 122 3HD1 ILE 122 -17.690 3.112 -4.147 Start of MODEL 12 1 H MET 1 H MET 1 1.497 -2.766 0.900 2 HA MET 1 HA MET 1 -0.571 -1.953 -0.984 3 1HB MET 1 2HB MET 1 1.495 -0.125 0.176 4 2HB MET 1 3HB MET 1 0.986 0.102 -1.492 5 1HG MET 1 2HG MET 1 -0.480 1.488 -0.461 6 2HG MET 1 3HG MET 1 -1.413 -0.005 -0.413 7 1HE MET 1 1HE MET 1 -2.317 -0.953 1.165 8 2HE MET 1 2HE MET 1 -1.594 -1.326 2.730 9 3HE MET 1 3HE MET 1 -2.755 -0.005 2.587 10 H GLN 2 H GLN 2 -0.115 -2.653 -2.973 11 HA GLN 2 HA GLN 2 2.689 -3.202 -3.667 12 1HB GLN 2 2HB GLN 2 2.101 -5.294 -4.684 13 2HB GLN 2 3HB GLN 2 1.485 -5.298 -3.038 14 1HG GLN 2 2HG GLN 2 -0.746 -4.790 -3.849 15 2HG GLN 2 3HG GLN 2 -0.142 -4.722 -5.504 16 1HE2 GLN 2 1HE2 GLN 2 0.482 -6.990 -2.856 17 2HE2 GLN 2 2HE2 GLN 2 -0.034 -8.400 -3.710 18 H LYS 3 H LYS 3 2.790 -3.740 -6.137 19 HA LYS 3 HA LYS 3 0.906 -2.120 -7.673 20 1HB LYS 3 2HB LYS 3 3.898 -1.710 -7.833 21 2HB LYS 3 3HB LYS 3 2.676 -0.867 -8.776 22 1HG LYS 3 2HG LYS 3 2.835 -0.724 -5.778 23 2HG LYS 3 3HG LYS 3 3.640 0.420 -6.855 24 1HD LYS 3 2HD LYS 3 1.646 1.326 -7.595 25 2HD LYS 3 3HD LYS 3 0.717 -0.116 -7.178 26 1HE LYS 3 2HE LYS 3 0.959 0.395 -4.812 27 2HE LYS 3 3HE LYS 3 1.945 1.803 -5.200 28 1HZ LYS 3 1HZ LYS 3 -0.833 1.490 -6.175 29 2HZ LYS 3 2HZ LYS 3 0.111 2.893 -6.152 30 3HZ LYS 3 3HZ LYS 3 -0.466 2.239 -4.703 31 H GLY 4 H GLY 4 1.825 -2.190 -10.123 32 1HA GLY 4 2HA GLY 4 2.751 -3.555 -11.835 33 2HA GLY 4 3HA GLY 4 2.795 -4.898 -10.701 34 H LEU 5 H LEU 5 -0.086 -3.024 -10.792 35 HA LEU 5 HA LEU 5 -1.377 -4.948 -12.593 36 1HB LEU 5 2HB LEU 5 -1.936 -4.477 -9.733 37 2HB LEU 5 3HB LEU 5 -3.342 -4.586 -10.790 38 HG LEU 5 HG LEU 5 -2.888 -6.735 -9.783 39 1HD1 LEU 5 1HD1 LEU 5 -3.526 -6.398 -12.300 40 2HD1 LEU 5 2HD1 LEU 5 -3.148 -8.003 -11.675 41 3HD1 LEU 5 3HD1 LEU 5 -1.933 -7.102 -12.581 42 1HD2 LEU 5 1HD2 LEU 5 -0.857 -7.637 -9.535 43 2HD2 LEU 5 2HD2 LEU 5 -0.248 -6.027 -9.920 44 3HD2 LEU 5 3HD2 LEU 5 -0.378 -7.247 -11.187 45 H GLU 6 H GLU 6 -3.479 -4.219 -13.389 46 HA GLU 6 HA GLU 6 -3.519 -1.299 -13.673 47 1HB GLU 6 2HB GLU 6 -5.212 -3.107 -15.343 48 2HB GLU 6 3HB GLU 6 -4.474 -1.567 -15.761 49 1HG GLU 6 2HG GLU 6 -3.178 -2.986 -16.979 50 2HG GLU 6 3HG GLU 6 -2.245 -2.916 -15.485 51 H ILE 7 H ILE 7 -5.152 -0.093 -12.922 52 HA ILE 7 HA ILE 7 -7.679 -1.371 -12.192 53 HB ILE 7 HB ILE 7 -7.500 0.224 -10.067 54 1HG1 ILE 7 2HG1 ILE 7 -5.049 0.697 -10.961 55 2HG1 ILE 7 3HG1 ILE 7 -5.389 0.596 -9.237 56 1HG2 ILE 7 1HG2 ILE 7 -8.061 -2.064 -9.853 57 2HG2 ILE 7 2HG2 ILE 7 -6.453 -2.579 -10.361 58 3HG2 ILE 7 3HG2 ILE 7 -6.674 -1.795 -8.797 59 1HD1 ILE 7 1HD1 ILE 7 -4.577 -1.857 -10.719 60 2HD1 ILE 7 2HD1 ILE 7 -3.361 -0.668 -10.251 61 3HD1 ILE 7 3HD1 ILE 7 -4.357 -1.442 -9.019 62 H ALA 8 H ALA 8 -9.458 -0.003 -12.208 63 HA ALA 8 HA ALA 8 -8.948 2.714 -13.234 64 1HB ALA 8 1HB ALA 8 -10.173 0.731 -14.614 65 2HB ALA 8 2HB ALA 8 -11.557 1.515 -13.851 66 3HB ALA 8 3HB ALA 8 -10.465 2.451 -14.871 67 H PHE 9 H PHE 9 -10.223 4.398 -12.476 68 HA PHE 9 HA PHE 9 -12.060 3.771 -10.269 69 1HB PHE 9 2HB PHE 9 -9.652 4.636 -9.647 70 2HB PHE 9 3HB PHE 9 -10.321 6.200 -10.101 71 HD1 PHE 9 HD1 PHE 9 -10.752 7.420 -8.206 72 HD2 PHE 9 HD2 PHE 9 -11.747 3.282 -8.267 73 HE1 PHE 9 HE1 PHE 9 -11.765 7.635 -5.974 74 HE2 PHE 9 HE2 PHE 9 -12.763 3.491 -6.035 75 HZ PHE 9 HZ PHE 9 -12.773 5.669 -4.886 76 H GLN 10 H GLN 10 -13.893 4.974 -10.183 77 HA GLN 10 HA GLN 10 -14.247 6.967 -12.318 78 1HB GLN 10 2HB GLN 10 -15.983 4.870 -11.182 79 2HB GLN 10 3HB GLN 10 -16.777 6.405 -11.504 80 1HG GLN 10 2HG GLN 10 -15.249 5.882 -13.776 81 2HG GLN 10 3HG GLN 10 -15.972 4.338 -13.331 82 1HE2 GLN 10 1HE2 GLN 10 -16.679 7.704 -14.055 83 2HE2 GLN 10 2HE2 GLN 10 -18.298 7.440 -14.597 84 H THR 11 H THR 11 -15.075 8.973 -11.872 85 HA THR 11 HA THR 11 -15.952 9.623 -9.181 86 HB THR 11 HB THR 11 -13.662 10.010 -8.788 87 HG1 THR 11 HG1 THR 11 -14.417 12.586 -9.665 88 1HG2 THR 11 1HG2 THR 11 -12.462 9.942 -10.722 89 2HG2 THR 11 2HG2 THR 11 -12.518 11.694 -10.522 90 3HG2 THR 11 3HG2 THR 11 -13.645 10.895 -11.618 91 H ILE 12 H ILE 12 -17.010 11.659 -9.031 92 HA ILE 12 HA ILE 12 -17.331 13.287 -11.390 93 HB ILE 12 HB ILE 12 -19.916 13.025 -11.157 94 1HG1 ILE 12 2HG1 ILE 12 -20.267 10.422 -10.795 95 2HG1 ILE 12 3HG1 ILE 12 -18.835 10.600 -9.788 96 1HG2 ILE 12 1HG2 ILE 12 -19.792 12.048 -13.165 97 2HG2 ILE 12 2HG2 ILE 12 -18.046 12.113 -12.934 98 3HG2 ILE 12 3HG2 ILE 12 -18.934 10.644 -12.530 99 1HD1 ILE 12 1HD1 ILE 12 -20.592 12.687 -9.093 100 2HD1 ILE 12 2HD1 ILE 12 -21.543 11.204 -9.175 101 3HD1 ILE 12 3HD1 ILE 12 -20.123 11.284 -8.133 102 H ASN 13 H ASN 13 -18.321 12.512 -8.100 103 HA ASN 13 HA ASN 13 -17.934 15.130 -7.159 104 1HB ASN 13 2HB ASN 13 -19.974 15.627 -8.431 105 2HB ASN 13 3HB ASN 13 -20.833 14.359 -7.563 106 1HD2 ASN 13 1HD2 ASN 13 -19.519 17.555 -7.412 107 2HD2 ASN 13 2HD2 ASN 13 -20.245 18.007 -5.910 108 H GLY 14 H GLY 14 -18.051 15.251 -4.920 109 1HA GLY 14 2HA GLY 14 -19.023 14.337 -2.842 110 2HA GLY 14 3HA GLY 14 -18.846 12.746 -3.567 111 H LEU 15 H LEU 15 -16.683 15.553 -3.167 112 HA LEU 15 HA LEU 15 -14.522 15.696 -2.460 113 1HB LEU 15 2HB LEU 15 -15.271 13.478 -0.570 114 2HB LEU 15 3HB LEU 15 -14.031 14.710 -0.347 115 HG LEU 15 HG LEU 15 -15.713 15.438 1.054 116 1HD1 LEU 15 1HD1 LEU 15 -16.382 17.476 0.214 117 2HD1 LEU 15 2HD1 LEU 15 -16.711 16.827 -1.392 118 3HD1 LEU 15 3HD1 LEU 15 -15.046 17.068 -0.863 119 1HD2 LEU 15 1HD2 LEU 15 -17.320 13.701 -0.239 120 2HD2 LEU 15 2HD2 LEU 15 -17.984 15.233 -0.809 121 3HD2 LEU 15 3HD2 LEU 15 -17.896 14.899 0.921 122 H ASP 16 H ASP 16 -15.145 13.777 -4.599 123 HA ASP 16 HA ASP 16 -13.451 11.493 -4.220 124 1HB ASP 16 2HB ASP 16 -14.838 12.659 -6.631 125 2HB ASP 16 3HB ASP 16 -13.801 11.239 -6.733 126 H GLU 17 H GLU 17 -13.174 14.601 -5.887 127 HA GLU 17 HA GLU 17 -10.796 14.244 -7.235 128 1HB GLU 17 2HB GLU 17 -12.039 16.648 -5.935 129 2HB GLU 17 3HB GLU 17 -10.464 16.768 -6.707 130 1HG GLU 17 2HG GLU 17 -11.480 15.911 -8.798 131 2HG GLU 17 3HG GLU 17 -13.054 15.956 -8.005 132 H SER 18 H SER 18 -11.335 14.749 -3.821 133 HA SER 18 HA SER 18 -8.704 15.434 -3.082 134 1HB SER 18 2HB SER 18 -10.844 14.029 -1.465 135 2HB SER 18 3HB SER 18 -9.384 14.764 -0.803 136 HG SER 18 HG SER 18 -11.084 16.220 -0.636 137 H LEU 19 H LEU 19 -10.378 12.302 -3.179 138 HA LEU 19 HA LEU 19 -8.192 10.772 -2.253 139 1HB LEU 19 2HB LEU 19 -10.234 9.701 -2.080 140 2HB LEU 19 3HB LEU 19 -10.729 10.166 -3.707 141 HG LEU 19 HG LEU 19 -9.181 8.514 -4.646 142 1HD1 LEU 19 1HD1 LEU 19 -7.950 6.997 -3.301 143 2HD1 LEU 19 2HD1 LEU 19 -8.702 7.593 -1.822 144 3HD1 LEU 19 3HD1 LEU 19 -7.579 8.619 -2.714 145 1HD2 LEU 19 1HD2 LEU 19 -10.855 7.144 -2.564 146 2HD2 LEU 19 2HD2 LEU 19 -10.500 6.628 -4.212 147 3HD2 LEU 19 3HD2 LEU 19 -11.579 7.995 -3.929 148 H VAL 20 H VAL 20 -9.304 11.638 -5.497 149 HA VAL 20 HA VAL 20 -7.466 10.051 -6.929 150 HB VAL 20 HB VAL 20 -8.567 12.677 -7.909 151 1HG1 VAL 20 1HG1 VAL 20 -6.919 11.609 -9.341 152 2HG1 VAL 20 2HG1 VAL 20 -7.844 10.106 -9.312 153 3HG1 VAL 20 3HG1 VAL 20 -8.517 11.542 -10.084 154 1HG2 VAL 20 1HG2 VAL 20 -9.998 10.243 -7.164 155 2HG2 VAL 20 2HG2 VAL 20 -10.609 11.869 -7.472 156 3HG2 VAL 20 3HG2 VAL 20 -10.310 10.769 -8.818 157 H GLN 21 H GLN 21 -7.365 13.485 -6.000 158 HA GLN 21 HA GLN 21 -4.791 13.955 -7.100 159 1HB GLN 21 2HB GLN 21 -4.910 16.095 -6.098 160 2HB GLN 21 3HB GLN 21 -6.559 15.692 -6.556 161 1HG GLN 21 2HG GLN 21 -7.046 15.048 -4.254 162 2HG GLN 21 3HG GLN 21 -5.391 15.443 -3.793 163 1HE2 GLN 21 1HE2 GLN 21 -8.284 16.849 -5.264 164 2HE2 GLN 21 2HE2 GLN 21 -8.060 18.433 -4.613 165 H ALA 22 H ALA 22 -5.926 12.732 -4.050 166 HA ALA 22 HA ALA 22 -3.475 13.128 -2.626 167 1HB ALA 22 1HB ALA 22 -5.452 12.994 -1.327 168 2HB ALA 22 2HB ALA 22 -5.914 11.458 -2.062 169 3HB ALA 22 3HB ALA 22 -4.524 11.535 -0.979 170 H LEU 23 H LEU 23 -5.069 10.249 -3.999 171 HA LEU 23 HA LEU 23 -2.990 8.449 -3.439 172 1HB LEU 23 2HB LEU 23 -4.128 6.911 -4.760 173 2HB LEU 23 3HB LEU 23 -5.396 7.972 -4.149 174 HG LEU 23 HG LEU 23 -4.970 9.194 -6.467 175 1HD1 LEU 23 1HD1 LEU 23 -4.785 6.787 -7.875 176 2HD1 LEU 23 2HD1 LEU 23 -3.474 6.751 -6.697 177 3HD1 LEU 23 3HD1 LEU 23 -3.606 8.098 -7.828 178 1HD2 LEU 23 1HD2 LEU 23 -7.096 8.273 -5.678 179 2HD2 LEU 23 2HD2 LEU 23 -6.578 6.659 -6.164 180 3HD2 LEU 23 3HD2 LEU 23 -6.827 7.909 -7.383 181 H ALA 24 H ALA 24 -3.574 10.580 -6.174 182 HA ALA 24 HA ALA 24 -1.553 9.522 -7.860 183 1HB ALA 24 1HB ALA 24 -2.717 12.304 -7.861 184 2HB ALA 24 2HB ALA 24 -1.852 11.522 -9.185 185 3HB ALA 24 3HB ALA 24 -3.424 10.906 -8.673 186 H GLY 25 H GLY 25 -1.597 12.093 -5.437 187 1HA GLY 25 2HA GLY 25 1.009 13.078 -5.990 188 2HA GLY 25 3HA GLY 25 0.092 13.352 -4.517 189 H VAL 26 H VAL 26 -0.213 10.757 -3.598 190 HA VAL 26 HA VAL 26 2.262 10.329 -2.309 191 HB VAL 26 HB VAL 26 0.200 9.694 -1.218 192 1HG1 VAL 26 1HG1 VAL 26 -0.108 7.564 -3.330 193 2HG1 VAL 26 2HG1 VAL 26 -1.198 7.887 -1.980 194 3HG1 VAL 26 3HG1 VAL 26 -1.026 9.068 -3.280 195 1HG2 VAL 26 1HG2 VAL 26 2.219 8.475 -0.597 196 2HG2 VAL 26 2HG2 VAL 26 0.798 7.439 -0.472 197 3HG2 VAL 26 3HG2 VAL 26 1.891 7.274 -1.846 198 H THR 27 H THR 27 0.651 8.681 -4.992 199 HA THR 27 HA THR 27 2.486 6.560 -5.257 200 HB THR 27 HB THR 27 1.604 6.363 -7.591 201 HG1 THR 27 HG1 THR 27 0.542 8.852 -6.884 202 1HG2 THR 27 1HG2 THR 27 -0.917 6.278 -6.684 203 2HG2 THR 27 2HG2 THR 27 -0.065 6.394 -5.144 204 3HG2 THR 27 3HG2 THR 27 0.295 5.072 -6.254 205 H ALA 28 H ALA 28 2.278 9.697 -6.920 206 HA ALA 28 HA ALA 28 4.606 9.285 -8.500 207 1HB ALA 28 1HB ALA 28 3.143 11.817 -7.769 208 2HB ALA 28 2HB ALA 28 4.437 11.712 -8.963 209 3HB ALA 28 3HB ALA 28 2.923 10.846 -9.225 210 H SER 29 H SER 29 3.991 11.066 -5.490 211 HA SER 29 HA SER 29 6.488 12.207 -5.126 212 1HB SER 29 2HB SER 29 4.478 11.190 -3.113 213 2HB SER 29 3HB SER 29 5.934 12.072 -2.649 214 HG SER 29 HG SER 29 3.677 13.130 -3.290 215 H ASP 30 H ASP 30 5.340 9.039 -3.983 216 HA ASP 30 HA ASP 30 7.829 8.278 -2.849 217 1HB ASP 30 2HB ASP 30 5.389 6.698 -3.661 218 2HB ASP 30 3HB ASP 30 6.799 5.954 -2.913 219 H PHE 31 H PHE 31 6.236 7.507 -5.927 220 HA PHE 31 HA PHE 31 7.007 6.404 -7.786 221 1HB PHE 31 2HB PHE 31 8.407 8.791 -7.340 222 2HB PHE 31 3HB PHE 31 9.632 7.620 -7.819 223 HD1 PHE 31 HD1 PHE 31 6.089 8.042 -8.888 224 HD2 PHE 31 HD2 PHE 31 10.195 8.068 -10.007 225 HE1 PHE 31 HE1 PHE 31 5.441 8.337 -11.243 226 HE2 PHE 31 HE2 PHE 31 9.555 8.364 -12.364 227 HZ PHE 31 HZ PHE 31 7.175 8.499 -12.985 228 HA PRO 32 HA PRO 32 9.836 3.607 -5.242 229 1HB PRO 32 2HB PRO 32 8.099 1.534 -5.006 230 2HB PRO 32 3HB PRO 32 8.183 2.854 -3.835 231 1HG PRO 32 2HG PRO 32 6.263 2.446 -6.095 232 2HG PRO 32 3HG PRO 32 5.941 2.989 -4.438 233 1HD PRO 32 2HD PRO 32 6.102 4.704 -6.527 234 2HD PRO 32 3HD PRO 32 6.602 5.151 -4.883 235 H ASP 33 H ASP 33 7.586 2.991 -7.895 236 HA ASP 33 HA ASP 33 9.372 0.933 -8.967 237 1HB ASP 33 2HB ASP 33 7.464 0.663 -10.656 238 2HB ASP 33 3HB ASP 33 7.138 0.181 -8.993 239 H LEU 34 H LEU 34 8.164 4.147 -9.611 240 HA LEU 34 HA LEU 34 8.843 5.765 -11.060 241 1HB LEU 34 2HB LEU 34 11.094 3.999 -11.949 242 2HB LEU 34 3HB LEU 34 11.035 5.758 -11.869 243 HG LEU 34 HG LEU 34 10.728 4.912 -9.229 244 1HD1 LEU 34 1HD1 LEU 34 13.040 3.611 -9.207 245 2HD1 LEU 34 2HD1 LEU 34 12.459 3.074 -10.782 246 3HD1 LEU 34 3HD1 LEU 34 11.492 2.776 -9.338 247 1HD2 LEU 34 1HD2 LEU 34 12.501 6.283 -8.875 248 2HD2 LEU 34 2HD2 LEU 34 12.127 6.772 -10.528 249 3HD2 LEU 34 3HD2 LEU 34 13.428 5.620 -10.221 250 H ASP 35 H ASP 35 7.393 3.125 -11.869 251 HA ASP 35 HA ASP 35 7.435 3.714 -14.752 252 1HB ASP 35 2HB ASP 35 7.667 1.081 -13.366 253 2HB ASP 35 3HB ASP 35 6.768 1.149 -14.879 254 H ILE 36 H ILE 36 5.690 4.500 -12.431 255 HA ILE 36 HA ILE 36 3.196 3.154 -12.757 256 HB ILE 36 HB ILE 36 3.628 4.269 -10.673 257 1HG1 ILE 36 2HG1 ILE 36 1.486 5.715 -12.248 258 2HG1 ILE 36 3HG1 ILE 36 1.291 4.192 -11.387 259 1HG2 ILE 36 1HG2 ILE 36 4.754 6.263 -12.281 260 2HG2 ILE 36 2HG2 ILE 36 3.391 7.023 -11.459 261 3HG2 ILE 36 3HG2 ILE 36 4.657 6.231 -10.520 262 1HD1 ILE 36 1HD1 ILE 36 1.961 6.828 -10.101 263 2HD1 ILE 36 2HD1 ILE 36 0.353 6.106 -10.173 264 3HD1 ILE 36 3HD1 ILE 36 1.641 5.303 -9.276 265 H LYS 37 H LYS 37 1.844 3.338 -14.404 266 HA LYS 37 HA LYS 37 1.913 5.798 -16.023 267 1HB LYS 37 2HB LYS 37 1.056 3.008 -16.813 268 2HB LYS 37 3HB LYS 37 1.002 4.419 -17.861 269 1HG LYS 37 2HG LYS 37 3.458 3.121 -16.703 270 2HG LYS 37 3HG LYS 37 2.941 3.112 -18.391 271 1HD LYS 37 2HD LYS 37 3.738 5.548 -16.795 272 2HD LYS 37 3HD LYS 37 4.729 4.739 -18.012 273 1HE LYS 37 2HE LYS 37 2.077 6.103 -18.470 274 2HE LYS 37 3HE LYS 37 3.661 6.705 -18.957 275 1HZ LYS 37 1HZ LYS 37 3.762 4.429 -20.194 276 2HZ LYS 37 2HZ LYS 37 2.944 5.740 -20.883 277 3HZ LYS 37 3HZ LYS 37 2.075 4.518 -20.100 278 H TYR 38 H TYR 38 0.463 6.669 -14.315 279 HA TYR 38 HA TYR 38 -2.329 5.884 -14.837 280 1HB TYR 38 2HB TYR 38 -2.347 5.361 -12.638 281 2HB TYR 38 3HB TYR 38 -0.893 6.295 -12.303 282 HD1 TYR 38 HD1 TYR 38 -1.062 8.718 -11.828 283 HD2 TYR 38 HD2 TYR 38 -4.524 6.290 -12.299 284 HE1 TYR 38 HE1 TYR 38 -2.425 10.466 -10.763 285 HE2 TYR 38 HE2 TYR 38 -5.897 8.032 -11.236 286 HH TYR 38 HH TYR 38 -4.493 11.135 -10.257 287 H ASN 39 H ASN 39 -3.884 7.559 -14.875 288 HA ASN 39 HA ASN 39 -3.111 10.308 -14.627 289 1HB ASN 39 2HB ASN 39 -2.343 9.370 -16.981 290 2HB ASN 39 3HB ASN 39 -4.038 9.627 -17.384 291 1HD2 ASN 39 1HD2 ASN 39 -1.366 11.307 -15.761 292 2HD2 ASN 39 2HD2 ASN 39 -1.697 12.856 -16.451 293 H ILE 40 H ILE 40 -4.972 11.757 -15.449 294 HA ILE 40 HA ILE 40 -7.543 10.395 -14.983 295 HB ILE 40 HB ILE 40 -8.066 12.893 -14.080 296 1HG1 ILE 40 2HG1 ILE 40 -5.469 13.217 -14.340 297 2HG1 ILE 40 3HG1 ILE 40 -6.308 13.867 -12.937 298 1HG2 ILE 40 1HG2 ILE 40 -7.506 11.789 -11.755 299 2HG2 ILE 40 2HG2 ILE 40 -8.828 11.191 -12.756 300 3HG2 ILE 40 3HG2 ILE 40 -7.278 10.352 -12.751 301 1HD1 ILE 40 1HD1 ILE 40 -5.463 12.236 -11.524 302 2HD1 ILE 40 2HD1 ILE 40 -5.062 11.152 -12.856 303 3HD1 ILE 40 3HD1 ILE 40 -4.105 12.607 -12.585 304 H PHE 41 H PHE 41 -9.105 10.803 -16.422 305 HA PHE 41 HA PHE 41 -8.818 13.137 -18.187 306 1HB PHE 41 2HB PHE 41 -9.856 11.524 -19.972 307 2HB PHE 41 3HB PHE 41 -8.123 11.490 -19.662 308 HD1 PHE 41 HD1 PHE 41 -11.307 9.824 -18.722 309 HD2 PHE 41 HD2 PHE 41 -7.077 9.504 -19.076 310 HE1 PHE 41 HE1 PHE 41 -11.450 7.420 -18.219 311 HE2 PHE 41 HE2 PHE 41 -7.214 7.099 -18.575 312 HZ PHE 41 HZ PHE 41 -9.403 6.054 -18.146 313 H LEU 42 H LEU 42 -10.733 14.067 -18.917 314 HA LEU 42 HA LEU 42 -13.125 13.240 -17.423 315 1HB LEU 42 2HB LEU 42 -12.368 15.493 -16.953 316 2HB LEU 42 3HB LEU 42 -12.399 15.886 -18.671 317 HG LEU 42 HG LEU 42 -14.311 16.721 -17.142 318 1HD1 LEU 42 1HD1 LEU 42 -14.092 16.294 -19.819 319 2HD1 LEU 42 2HD1 LEU 42 -15.452 17.094 -19.032 320 3HD1 LEU 42 3HD1 LEU 42 -15.550 15.380 -19.431 321 1HD2 LEU 42 1HD2 LEU 42 -14.567 14.204 -16.370 322 2HD2 LEU 42 2HD2 LEU 42 -15.625 14.133 -17.780 323 3HD2 LEU 42 3HD2 LEU 42 -15.955 15.285 -16.484 324 H VAL 43 H VAL 43 -14.708 12.284 -18.503 325 HA VAL 43 HA VAL 43 -14.779 12.530 -21.428 326 HB VAL 43 HB VAL 43 -15.636 10.427 -21.570 327 1HG1 VAL 43 1HG1 VAL 43 -13.527 10.567 -19.983 328 2HG1 VAL 43 2HG1 VAL 43 -14.663 9.896 -18.811 329 3HG1 VAL 43 3HG1 VAL 43 -14.333 9.034 -20.314 330 1HG2 VAL 43 1HG2 VAL 43 -17.721 10.756 -20.512 331 2HG2 VAL 43 2HG2 VAL 43 -16.986 9.374 -19.701 332 3HG2 VAL 43 3HG2 VAL 43 -16.973 10.960 -18.928 333 H ASP 44 H ASP 44 -16.550 13.265 -22.506 334 HA ASP 44 HA ASP 44 -18.914 14.011 -20.928 335 1HB ASP 44 2HB ASP 44 -18.998 16.112 -22.417 336 2HB ASP 44 3HB ASP 44 -17.838 16.091 -21.091 337 H LEU 45 H LEU 45 -20.397 12.658 -21.744 338 HA LEU 45 HA LEU 45 -21.110 12.933 -24.540 339 1HB LEU 45 2HB LEU 45 -19.517 10.788 -23.719 340 2HB LEU 45 3HB LEU 45 -21.143 10.127 -23.876 341 HG LEU 45 HG LEU 45 -19.732 9.872 -25.908 342 1HD1 LEU 45 1HD1 LEU 45 -21.879 11.672 -26.805 343 2HD1 LEU 45 2HD1 LEU 45 -22.375 10.375 -25.718 344 3HD1 LEU 45 3HD1 LEU 45 -21.549 9.992 -27.229 345 1HD2 LEU 45 1HD2 LEU 45 -18.585 12.092 -25.617 346 2HD2 LEU 45 2HD2 LEU 45 -20.059 12.848 -26.223 347 3HD2 LEU 45 3HD2 LEU 45 -19.149 11.740 -27.251 348 H TYR 46 H TYR 46 -23.216 12.050 -25.030 349 HA TYR 46 HA TYR 46 -25.423 11.708 -24.604 350 1HB TYR 46 2HB TYR 46 -24.435 10.482 -22.022 351 2HB TYR 46 3HB TYR 46 -26.033 10.266 -22.727 352 HD1 TYR 46 HD1 TYR 46 -26.211 9.087 -24.965 353 HD2 TYR 46 HD2 TYR 46 -22.642 9.095 -22.648 354 HE1 TYR 46 HE1 TYR 46 -25.396 7.137 -26.224 355 HE2 TYR 46 HE2 TYR 46 -21.817 7.146 -23.902 356 HH TYR 46 HH TYR 46 -23.420 5.976 -26.745 357 H GLY 47 H GLY 47 -24.248 14.210 -23.887 358 1HA GLY 47 2HA GLY 47 -24.896 16.161 -22.863 359 2HA GLY 47 3HA GLY 47 -26.371 15.330 -22.391 360 H GLN 48 H GLN 48 -23.646 13.663 -21.343 361 HA GLN 48 HA GLN 48 -23.654 15.033 -18.743 362 1HB GLN 48 2HB GLN 48 -23.788 12.042 -19.161 363 2HB GLN 48 3HB GLN 48 -23.618 12.847 -17.607 364 1HG GLN 48 2HG GLN 48 -25.943 13.438 -19.392 365 2HG GLN 48 3HG GLN 48 -25.940 12.024 -18.339 366 1HE2 GLN 48 1HE2 GLN 48 -27.671 14.347 -18.270 367 2HE2 GLN 48 2HE2 GLN 48 -27.474 15.057 -16.708 368 H LYS 49 H LYS 49 -21.727 14.977 -17.592 369 HA LYS 49 HA LYS 49 -19.413 13.872 -19.046 370 1HB LYS 49 2HB LYS 49 -18.145 15.810 -17.920 371 2HB LYS 49 3HB LYS 49 -19.162 16.183 -19.306 372 1HG LYS 49 2HG LYS 49 -20.608 16.372 -16.798 373 2HG LYS 49 3HG LYS 49 -19.205 17.442 -16.856 374 1HD LYS 49 2HD LYS 49 -20.841 17.397 -19.299 375 2HD LYS 49 3HD LYS 49 -21.647 18.052 -17.872 376 1HE LYS 49 2HE LYS 49 -19.947 19.696 -17.575 377 2HE LYS 49 3HE LYS 49 -18.922 18.942 -18.794 378 1HZ LYS 49 1HZ LYS 49 -21.521 20.295 -19.273 379 2HZ LYS 49 2HZ LYS 49 -20.624 19.488 -20.459 380 3HZ LYS 49 3HZ LYS 49 -19.992 20.869 -19.713 381 H TYR 50 H TYR 50 -18.098 12.570 -17.928 382 HA TYR 50 HA TYR 50 -18.264 12.588 -14.992 383 1HB TYR 50 2HB TYR 50 -18.035 10.038 -16.583 384 2HB TYR 50 3HB TYR 50 -18.404 10.224 -14.872 385 HD1 TYR 50 HD1 TYR 50 -19.751 10.683 -18.286 386 HD2 TYR 50 HD2 TYR 50 -20.635 10.533 -14.127 387 HE1 TYR 50 HE1 TYR 50 -22.154 10.621 -18.806 388 HE2 TYR 50 HE2 TYR 50 -23.040 10.469 -14.635 389 HH TYR 50 HH TYR 50 -24.590 10.611 -16.227 390 H PHE 51 H PHE 51 -16.389 11.881 -13.894 391 HA PHE 51 HA PHE 51 -13.952 12.121 -15.512 392 1HB PHE 51 2HB PHE 51 -14.506 12.593 -12.585 393 2HB PHE 51 3HB PHE 51 -12.870 12.506 -13.231 394 HD1 PHE 51 HD1 PHE 51 -11.870 14.377 -14.189 395 HD2 PHE 51 HD2 PHE 51 -16.078 14.339 -13.553 396 HE1 PHE 51 HE1 PHE 51 -11.979 16.760 -14.790 397 HE2 PHE 51 HE2 PHE 51 -16.194 16.722 -14.153 398 HZ PHE 51 HZ PHE 51 -14.143 17.936 -14.774 399 H ARG 52 H ARG 52 -12.546 10.485 -15.705 400 HA ARG 52 HA ARG 52 -12.795 8.186 -13.895 401 1HB ARG 52 2HB ARG 52 -12.757 8.119 -16.911 402 2HB ARG 52 3HB ARG 52 -12.398 6.711 -15.922 403 1HG ARG 52 2HG ARG 52 -14.588 6.301 -16.144 404 2HG ARG 52 3HG ARG 52 -14.752 7.485 -14.846 405 1HD ARG 52 2HD ARG 52 -15.236 9.229 -16.390 406 2HD ARG 52 3HD ARG 52 -14.789 8.219 -17.764 407 HE ARG 52 HE ARG 52 -17.301 8.228 -16.358 408 1HH1 ARG 52 2HH1 ARG 52 -15.157 6.408 -18.409 409 2HH1 ARG 52 1HH1 ARG 52 -16.412 5.397 -19.045 410 1HH2 ARG 52 2HH2 ARG 52 -18.963 6.904 -17.188 411 2HH2 ARG 52 1HH2 ARG 52 -18.577 5.681 -18.351 412 H ILE 53 H ILE 53 -10.900 7.127 -13.419 413 HA ILE 53 HA ILE 53 -8.447 8.351 -14.502 414 HB ILE 53 HB ILE 53 -7.430 8.293 -12.457 415 1HG1 ILE 53 2HG1 ILE 53 -8.481 6.745 -10.588 416 2HG1 ILE 53 3HG1 ILE 53 -9.143 5.890 -11.977 417 1HG2 ILE 53 1HG2 ILE 53 -9.788 9.496 -12.463 418 2HG2 ILE 53 2HG2 ILE 53 -10.125 8.300 -11.213 419 3HG2 ILE 53 3HG2 ILE 53 -8.784 9.427 -11.015 420 1HD1 ILE 53 1HD1 ILE 53 -6.487 6.234 -12.630 421 2HD1 ILE 53 2HD1 ILE 53 -6.460 5.885 -10.901 422 3HD1 ILE 53 3HD1 ILE 53 -7.238 4.761 -12.016 423 H LEU 54 H LEU 54 -6.876 7.060 -15.307 424 HA LEU 54 HA LEU 54 -7.367 4.155 -15.234 425 1HB LEU 54 2HB LEU 54 -7.551 5.498 -17.448 426 2HB LEU 54 3HB LEU 54 -5.790 5.506 -17.388 427 HG LEU 54 HG LEU 54 -7.517 3.032 -17.452 428 1HD1 LEU 54 1HD1 LEU 54 -6.036 4.528 -19.592 429 2HD1 LEU 54 2HD1 LEU 54 -7.721 4.010 -19.573 430 3HD1 LEU 54 3HD1 LEU 54 -6.435 2.816 -19.745 431 1HD2 LEU 54 1HD2 LEU 54 -5.255 2.003 -18.037 432 2HD2 LEU 54 2HD2 LEU 54 -5.532 2.449 -16.353 433 3HD2 LEU 54 3HD2 LEU 54 -4.549 3.484 -17.390 434 H PHE 55 H PHE 55 -5.921 3.062 -14.099 435 HA PHE 55 HA PHE 55 -3.172 4.111 -13.936 436 1HB PHE 55 2HB PHE 55 -4.163 4.312 -11.766 437 2HB PHE 55 3HB PHE 55 -4.816 2.679 -11.848 438 HD1 PHE 55 HD1 PHE 55 -2.089 4.708 -10.801 439 HD2 PHE 55 HD2 PHE 55 -3.150 0.745 -11.934 440 HE1 PHE 55 HE1 PHE 55 -0.073 3.852 -9.680 441 HE2 PHE 55 HE2 PHE 55 -1.136 -0.117 -10.815 442 HZ PHE 55 HZ PHE 55 0.405 1.437 -9.685 443 H GLN 56 H GLN 56 -1.731 2.877 -14.925 444 HA GLN 56 HA GLN 56 -2.062 -0.037 -14.861 445 1HB GLN 56 2HB GLN 56 -1.665 -0.301 -17.171 446 2HB GLN 56 3HB GLN 56 -2.862 0.982 -17.055 447 1HG GLN 56 2HG GLN 56 -1.122 2.652 -17.377 448 2HG GLN 56 3HG GLN 56 0.094 1.378 -17.461 449 1HE2 GLN 56 1HE2 GLN 56 -2.724 2.743 -19.043 450 2HE2 GLN 56 2HE2 GLN 56 -2.370 2.131 -20.619 451 H SER 57 H SER 57 -0.120 -1.233 -15.052 452 HA SER 57 HA SER 57 2.276 0.346 -14.397 453 1HB SER 57 2HB SER 57 2.929 -1.284 -12.925 454 2HB SER 57 3HB SER 57 1.189 -1.562 -12.865 455 HG SER 57 HG SER 57 3.191 -3.138 -13.892 456 H LYS 58 H LYS 58 4.337 -1.129 -14.900 457 HA LYS 58 HA LYS 58 4.224 -1.588 -17.785 458 1HB LYS 58 2HB LYS 58 5.978 -0.125 -16.465 459 2HB LYS 58 3HB LYS 58 6.768 -1.676 -16.218 460 1HG LYS 58 2HG LYS 58 5.951 -0.877 -18.970 461 2HG LYS 58 3HG LYS 58 7.402 -0.174 -18.251 462 1HD LYS 58 2HD LYS 58 6.936 -3.141 -18.290 463 2HD LYS 58 3HD LYS 58 7.677 -2.300 -19.654 464 1HE LYS 58 2HE LYS 58 9.490 -1.547 -18.294 465 2HE LYS 58 3HE LYS 58 8.698 -2.115 -16.825 466 1HZ LYS 58 1HZ LYS 58 8.959 -4.254 -18.638 467 2HZ LYS 58 2HZ LYS 58 9.631 -4.088 -17.095 468 3HZ LYS 58 3HZ LYS 58 10.467 -3.511 -18.448 469 H LYS 59 H LYS 59 5.205 -3.199 -14.792 470 HA LYS 59 HA LYS 59 5.964 -5.626 -16.129 471 1HB LYS 59 2HB LYS 59 5.664 -4.806 -13.254 472 2HB LYS 59 3HB LYS 59 5.913 -6.494 -13.683 473 1HG LYS 59 2HG LYS 59 7.782 -4.544 -14.875 474 2HG LYS 59 3HG LYS 59 7.910 -4.810 -13.134 475 1HD LYS 59 2HD LYS 59 9.391 -6.346 -14.191 476 2HD LYS 59 3HD LYS 59 8.002 -7.274 -13.619 477 1HE LYS 59 2HE LYS 59 7.059 -7.303 -15.843 478 2HE LYS 59 3HE LYS 59 8.347 -6.255 -16.438 479 1HZ LYS 59 1HZ LYS 59 8.997 -8.380 -17.066 480 2HZ LYS 59 2HZ LYS 59 8.514 -9.083 -15.606 481 3HZ LYS 59 3HZ LYS 59 9.895 -8.107 -15.658 482 H LEU 60 H LEU 60 3.029 -4.255 -15.525 483 HA LEU 60 HA LEU 60 1.350 -6.102 -14.448 484 1HB LEU 60 2HB LEU 60 -0.401 -5.093 -15.598 485 2HB LEU 60 3HB LEU 60 0.823 -3.830 -15.488 486 HG LEU 60 HG LEU 60 0.258 -5.514 -17.928 487 1HD1 LEU 60 1HD1 LEU 60 -0.310 -2.984 -18.641 488 2HD1 LEU 60 2HD1 LEU 60 -0.805 -2.947 -16.949 489 3HD1 LEU 60 3HD1 LEU 60 -1.514 -4.129 -18.049 490 1HD2 LEU 60 1HD2 LEU 60 2.394 -4.931 -18.364 491 2HD2 LEU 60 2HD2 LEU 60 2.382 -3.598 -17.210 492 3HD2 LEU 60 3HD2 LEU 60 1.657 -3.391 -18.805 493 H SER 61 H SER 61 0.843 -8.148 -14.841 494 HA SER 61 HA SER 61 1.508 -9.269 -17.481 495 1HB SER 61 2HB SER 61 2.387 -10.108 -15.030 496 2HB SER 61 3HB SER 61 0.993 -11.158 -15.281 497 HG SER 61 HG SER 61 3.023 -11.961 -16.140 498 H GLU 62 H GLU 62 0.059 -10.690 -18.495 499 HA GLU 62 HA GLU 62 -2.691 -10.047 -18.117 500 1HB GLU 62 2HB GLU 62 -1.146 -11.806 -19.967 501 2HB GLU 62 3HB GLU 62 -2.881 -12.059 -19.829 502 1HG GLU 62 2HG GLU 62 -3.156 -9.603 -20.326 503 2HG GLU 62 3HG GLU 62 -1.442 -9.585 -20.735 504 H LEU 63 H LEU 63 -0.670 -12.823 -17.340 505 HA LEU 63 HA LEU 63 -2.909 -14.379 -16.379 506 1HB LEU 63 2HB LEU 63 0.057 -14.876 -16.174 507 2HB LEU 63 3HB LEU 63 -1.208 -16.029 -15.755 508 HG LEU 63 HG LEU 63 -0.476 -16.742 -17.843 509 1HD1 LEU 63 1HD1 LEU 63 -2.320 -16.460 -19.296 510 2HD1 LEU 63 2HD1 LEU 63 -2.721 -14.890 -18.601 511 3HD1 LEU 63 3HD1 LEU 63 -2.961 -16.360 -17.656 512 1HD2 LEU 63 1HD2 LEU 63 0.496 -14.175 -18.128 513 2HD2 LEU 63 2HD2 LEU 63 -0.719 -14.301 -19.401 514 3HD2 LEU 63 3HD2 LEU 63 0.601 -15.469 -19.323 515 H HIS 64 H HIS 64 -2.110 -15.564 -14.118 516 HA HIS 64 HA HIS 64 -2.001 -15.355 -11.855 517 1HB HIS 64 2HB HIS 64 -0.645 -12.695 -12.301 518 2HB HIS 64 3HB HIS 64 -0.511 -13.751 -10.898 519 HD1 HIS 64 HD1 HIS 64 0.080 -16.409 -12.391 520 HD2 HIS 64 HD2 HIS 64 1.937 -12.779 -13.189 521 HE1 HIS 64 HE1 HIS 64 2.272 -16.999 -13.473 522 HA PRO 65 HA PRO 65 -5.677 -12.517 -12.080 523 1HB PRO 65 2HB PRO 65 -7.454 -14.360 -11.177 524 2HB PRO 65 3HB PRO 65 -7.027 -14.193 -12.884 525 1HG PRO 65 2HG PRO 65 -6.018 -16.156 -10.861 526 2HG PRO 65 3HG PRO 65 -6.491 -16.431 -12.548 527 1HD PRO 65 2HD PRO 65 -3.905 -16.200 -11.779 528 2HD PRO 65 3HD PRO 65 -4.480 -15.660 -13.370 529 H GLU 66 H GLU 66 -4.430 -14.716 -9.645 530 HA GLU 66 HA GLU 66 -5.878 -13.887 -7.421 531 1HB GLU 66 2HB GLU 66 -4.057 -15.758 -7.732 532 2HB GLU 66 3HB GLU 66 -2.962 -14.506 -7.162 533 1HG GLU 66 2HG GLU 66 -4.721 -14.267 -5.241 534 2HG GLU 66 3HG GLU 66 -5.157 -15.906 -5.722 535 H GLU 67 H GLU 67 -3.280 -12.323 -9.122 536 HA GLU 67 HA GLU 67 -2.632 -10.457 -7.052 537 1HB GLU 67 2HB GLU 67 -2.096 -10.119 -10.000 538 2HB GLU 67 3HB GLU 67 -1.219 -9.401 -8.657 539 1HG GLU 67 2HG GLU 67 -0.497 -11.684 -7.989 540 2HG GLU 67 3HG GLU 67 -1.253 -12.300 -9.457 541 H ARG 68 H ARG 68 -4.721 -10.426 -9.894 542 HA ARG 68 HA ARG 68 -5.376 -7.735 -9.990 543 1HB ARG 68 2HB ARG 68 -6.429 -10.198 -11.055 544 2HB ARG 68 3HB ARG 68 -7.745 -9.136 -10.573 545 1HG ARG 68 2HG ARG 68 -7.422 -7.794 -12.313 546 2HG ARG 68 3HG ARG 68 -5.683 -7.716 -12.028 547 1HD ARG 68 2HD ARG 68 -6.368 -8.701 -14.236 548 2HD ARG 68 3HD ARG 68 -5.304 -9.709 -13.257 549 HE ARG 68 HE ARG 68 -8.020 -10.345 -12.763 550 1HH1 ARG 68 2HH1 ARG 68 -5.488 -10.737 -15.119 551 2HH1 ARG 68 1HH1 ARG 68 -6.130 -12.214 -15.756 552 1HH2 ARG 68 2HH2 ARG 68 -8.876 -12.290 -13.593 553 2HH2 ARG 68 1HH2 ARG 68 -8.057 -13.097 -14.887 554 H LYS 69 H LYS 69 -6.994 -10.328 -8.168 555 HA LYS 69 HA LYS 69 -8.920 -8.658 -6.952 556 1HB LYS 69 2HB LYS 69 -9.227 -10.550 -5.368 557 2HB LYS 69 3HB LYS 69 -9.278 -11.041 -7.056 558 1HG LYS 69 2HG LYS 69 -6.954 -11.812 -6.889 559 2HG LYS 69 3HG LYS 69 -6.940 -11.355 -5.184 560 1HD LYS 69 2HD LYS 69 -8.872 -13.332 -6.390 561 2HD LYS 69 3HD LYS 69 -7.359 -13.783 -5.600 562 1HE LYS 69 2HE LYS 69 -8.283 -12.366 -3.624 563 2HE LYS 69 3HE LYS 69 -9.839 -12.598 -4.418 564 1HZ LYS 69 1HZ LYS 69 -9.959 -14.616 -3.555 565 2HZ LYS 69 2HZ LYS 69 -8.497 -14.368 -2.741 566 3HZ LYS 69 3HZ LYS 69 -8.499 -15.065 -4.283 567 H LYS 70 H LYS 70 -5.706 -9.729 -5.955 568 HA LYS 70 HA LYS 70 -5.712 -8.812 -3.329 569 1HB LYS 70 2HB LYS 70 -3.924 -10.155 -4.678 570 2HB LYS 70 3HB LYS 70 -3.265 -8.567 -5.047 571 1HG LYS 70 2HG LYS 70 -2.589 -8.192 -2.900 572 2HG LYS 70 3HG LYS 70 -3.843 -9.223 -2.207 573 1HD LYS 70 2HD LYS 70 -1.593 -10.354 -3.845 574 2HD LYS 70 3HD LYS 70 -1.424 -10.062 -2.113 575 1HE LYS 70 2HE LYS 70 -2.941 -11.696 -1.554 576 2HE LYS 70 3HE LYS 70 -3.792 -11.583 -3.093 577 1HZ LYS 70 1HZ LYS 70 -2.654 -13.363 -3.717 578 2HZ LYS 70 2HZ LYS 70 -1.667 -13.311 -2.344 579 3HZ LYS 70 3HZ LYS 70 -1.249 -12.420 -3.720 580 H VAL 71 H VAL 71 -4.605 -7.105 -6.256 581 HA VAL 71 HA VAL 71 -4.075 -4.659 -4.924 582 HB VAL 71 HB VAL 71 -3.981 -3.661 -7.170 583 1HG1 VAL 71 1HG1 VAL 71 -2.243 -5.407 -6.087 584 2HG1 VAL 71 2HG1 VAL 71 -2.586 -6.221 -7.614 585 3HG1 VAL 71 3HG1 VAL 71 -1.963 -4.571 -7.614 586 1HG2 VAL 71 1HG2 VAL 71 -5.841 -4.888 -8.178 587 2HG2 VAL 71 2HG2 VAL 71 -4.378 -5.032 -9.152 588 3HG2 VAL 71 3HG2 VAL 71 -4.891 -6.373 -8.129 589 H ARG 72 H ARG 72 -6.915 -5.999 -6.484 590 HA ARG 72 HA ARG 72 -8.449 -3.690 -6.766 591 1HB ARG 72 2HB ARG 72 -8.850 -6.490 -6.992 592 2HB ARG 72 3HB ARG 72 -10.135 -5.861 -5.968 593 1HG ARG 72 2HG ARG 72 -11.172 -5.459 -7.907 594 2HG ARG 72 3HG ARG 72 -10.130 -4.037 -7.973 595 1HD ARG 72 2HD ARG 72 -9.841 -5.031 -10.061 596 2HD ARG 72 3HD ARG 72 -8.441 -5.577 -9.139 597 HE ARG 72 HE ARG 72 -9.184 -7.712 -9.405 598 1HH1 ARG 72 2HH1 ARG 72 -11.881 -5.548 -9.810 599 2HH1 ARG 72 1HH1 ARG 72 -12.993 -6.805 -10.241 600 1HH2 ARG 72 2HH2 ARG 72 -10.639 -9.376 -9.971 601 2HH2 ARG 72 1HH2 ARG 72 -12.286 -8.982 -10.331 602 H GLU 73 H GLU 73 -8.415 -6.003 -4.051 603 HA GLU 73 HA GLU 73 -10.136 -4.429 -2.423 604 1HB GLU 73 2HB GLU 73 -9.495 -5.983 -0.619 605 2HB GLU 73 3HB GLU 73 -9.968 -6.827 -2.087 606 1HG GLU 73 2HG GLU 73 -7.513 -6.997 -2.636 607 2HG GLU 73 3HG GLU 73 -7.199 -6.427 -0.998 608 H LYS 74 H LYS 74 -6.635 -4.804 -2.652 609 HA LYS 74 HA LYS 74 -5.892 -3.361 -0.381 610 1HB LYS 74 2HB LYS 74 -4.408 -4.743 -1.913 611 2HB LYS 74 3HB LYS 74 -4.374 -3.351 -2.988 612 1HG LYS 74 2HG LYS 74 -2.427 -3.131 -1.752 613 2HG LYS 74 3HG LYS 74 -3.553 -2.045 -0.934 614 1HD LYS 74 2HD LYS 74 -2.531 -3.215 0.811 615 2HD LYS 74 3HD LYS 74 -4.070 -4.050 0.586 616 1HE LYS 74 2HE LYS 74 -2.479 -5.762 0.781 617 2HE LYS 74 3HE LYS 74 -2.796 -5.635 -0.949 618 1HZ LYS 74 1HZ LYS 74 -0.787 -4.185 -1.074 619 2HZ LYS 74 2HZ LYS 74 -0.466 -5.794 -0.663 620 3HZ LYS 74 3HZ LYS 74 -0.447 -4.596 0.532 621 H PHE 75 H PHE 75 -6.229 -2.212 -3.739 622 HA PHE 75 HA PHE 75 -5.756 0.509 -3.102 623 1HB PHE 75 2HB PHE 75 -5.750 0.752 -5.332 624 2HB PHE 75 3HB PHE 75 -6.031 -0.983 -5.435 625 HD1 PHE 75 HD1 PHE 75 -7.614 2.330 -5.539 626 HD2 PHE 75 HD2 PHE 75 -8.158 -1.858 -6.069 627 HE1 PHE 75 HE1 PHE 75 -9.775 2.753 -6.637 628 HE2 PHE 75 HE2 PHE 75 -10.319 -1.442 -7.169 629 HZ PHE 75 HZ PHE 75 -11.130 0.866 -7.454 630 H ASP 76 H ASP 76 -8.640 -1.475 -3.265 631 HA ASP 76 HA ASP 76 -10.581 0.541 -3.265 632 1HB ASP 76 2HB ASP 76 -10.487 -2.332 -2.702 633 2HB ASP 76 3HB ASP 76 -11.725 -1.480 -1.783 634 H GLU 77 H GLU 77 -8.983 -1.112 -0.560 635 HA GLU 77 HA GLU 77 -10.396 0.333 1.451 636 1HB GLU 77 2HB GLU 77 -7.813 -1.230 1.606 637 2HB GLU 77 3HB GLU 77 -8.706 -0.622 2.993 638 1HG GLU 77 2HG GLU 77 -10.418 -2.143 2.729 639 2HG GLU 77 3HG GLU 77 -10.060 -2.407 1.024 640 H ASN 78 H ASN 78 -7.135 0.601 0.069 641 HA ASN 78 HA ASN 78 -6.159 2.663 1.644 642 1HB ASN 78 2HB ASN 78 -4.899 1.310 -0.092 643 2HB ASN 78 3HB ASN 78 -5.593 2.378 -1.309 644 1HD2 ASN 78 1HD2 ASN 78 -3.502 2.217 1.495 645 2HD2 ASN 78 2HD2 ASN 78 -2.622 3.665 1.157 646 H SER 79 H SER 79 -8.179 2.811 -1.248 647 HA SER 79 HA SER 79 -8.149 5.674 -1.385 648 1HB SER 79 2HB SER 79 -9.179 5.390 -3.377 649 2HB SER 79 3HB SER 79 -8.812 3.680 -3.151 650 HG SER 79 HG SER 79 -11.229 5.054 -2.709 651 H ARG 80 H ARG 80 -10.457 3.235 -0.250 652 HA ARG 80 HA ARG 80 -12.458 5.113 0.503 653 1HB ARG 80 2HB ARG 80 -13.691 3.302 1.195 654 2HB ARG 80 3HB ARG 80 -12.583 2.514 0.080 655 1HG ARG 80 2HG ARG 80 -12.337 1.092 1.810 656 2HG ARG 80 3HG ARG 80 -11.154 2.295 2.329 657 1HD ARG 80 2HD ARG 80 -12.445 3.021 4.040 658 2HD ARG 80 3HD ARG 80 -13.947 2.780 3.149 659 HE ARG 80 HE ARG 80 -13.021 0.257 3.674 660 1HH1 ARG 80 2HH1 ARG 80 -13.845 3.053 5.577 661 2HH1 ARG 80 1HH1 ARG 80 -14.337 2.130 6.958 662 1HH2 ARG 80 2HH2 ARG 80 -13.666 -0.970 5.486 663 2HH2 ARG 80 1HH2 ARG 80 -14.234 -0.158 6.906 664 H MET 81 H MET 81 -9.470 4.407 1.819 665 HA MET 81 HA MET 81 -9.654 4.276 4.509 666 1HB MET 81 2HB MET 81 -7.806 5.795 2.719 667 2HB MET 81 3HB MET 81 -7.686 6.033 4.457 668 1HG MET 81 2HG MET 81 -7.797 3.228 3.680 669 2HG MET 81 3HG MET 81 -6.416 4.092 3.008 670 1HE MET 81 1HE MET 81 -6.352 1.995 6.725 671 2HE MET 81 2HE MET 81 -7.952 2.721 6.571 672 3HE MET 81 3HE MET 81 -7.273 1.791 5.234 673 H GLN 82 H GLN 82 -9.843 5.738 6.247 674 HA GLN 82 HA GLN 82 -11.932 7.532 6.151 675 1HB GLN 82 2HB GLN 82 -9.586 7.650 8.053 676 2HB GLN 82 3HB GLN 82 -11.180 8.343 8.321 677 1HG GLN 82 2HG GLN 82 -12.130 6.052 8.224 678 2HG GLN 82 3HG GLN 82 -10.486 5.423 8.120 679 1HE2 GLN 82 1HE2 GLN 82 -12.963 6.019 10.171 680 2HE2 GLN 82 2HE2 GLN 82 -12.095 6.134 11.660 681 H TYR 83 H TYR 83 -12.080 9.802 6.149 682 HA TYR 83 HA TYR 83 -10.502 11.116 4.247 683 1HB TYR 83 2HB TYR 83 -12.840 11.739 4.948 684 2HB TYR 83 3HB TYR 83 -12.149 12.452 6.401 685 HD1 TYR 83 HD1 TYR 83 -10.630 12.594 3.032 686 HD2 TYR 83 HD2 TYR 83 -12.779 14.710 6.034 687 HE1 TYR 83 HE1 TYR 83 -10.250 14.697 1.814 688 HE2 TYR 83 HE2 TYR 83 -12.406 16.818 4.823 689 HH TYR 83 HH TYR 83 -10.699 17.707 3.158 690 H SER 84 H SER 84 -10.345 11.077 7.770 691 HA SER 84 HA SER 84 -8.548 13.133 8.218 692 1HB SER 84 2HB SER 84 -8.376 10.547 9.748 693 2HB SER 84 3HB SER 84 -8.171 12.196 10.339 694 HG SER 84 HG SER 84 -10.214 12.192 10.774 695 H GLU 85 H GLU 85 -7.808 9.695 7.644 696 HA GLU 85 HA GLU 85 -4.991 10.099 7.583 697 1HB GLU 85 2HB GLU 85 -6.533 7.915 7.877 698 2HB GLU 85 3HB GLU 85 -6.150 7.765 6.167 699 1HG GLU 85 2HG GLU 85 -4.568 6.505 7.457 700 2HG GLU 85 3HG GLU 85 -3.755 7.884 6.719 701 H LEU 86 H LEU 86 -7.509 9.927 5.125 702 HA LEU 86 HA LEU 86 -5.875 9.808 2.856 703 1HB LEU 86 2HB LEU 86 -8.547 9.810 3.304 704 2HB LEU 86 3HB LEU 86 -8.325 11.421 2.625 705 HG LEU 86 HG LEU 86 -8.958 9.889 0.879 706 1HD1 LEU 86 1HD1 LEU 86 -7.121 10.222 -0.666 707 2HD1 LEU 86 2HD1 LEU 86 -6.021 10.538 0.675 708 3HD1 LEU 86 3HD1 LEU 86 -7.341 11.656 0.337 709 1HD2 LEU 86 1HD2 LEU 86 -6.552 8.257 0.876 710 2HD2 LEU 86 2HD2 LEU 86 -8.243 7.783 0.710 711 3HD2 LEU 86 3HD2 LEU 86 -7.543 8.008 2.314 712 H MET 87 H MET 87 -7.110 12.582 4.678 713 HA MET 87 HA MET 87 -5.890 14.501 2.920 714 1HB MET 87 2HB MET 87 -7.660 14.545 5.238 715 2HB MET 87 3HB MET 87 -6.457 15.827 5.285 716 1HG MET 87 2HG MET 87 -8.334 15.284 2.996 717 2HG MET 87 3HG MET 87 -8.547 16.531 4.222 718 1HE MET 87 1HE MET 87 -7.873 16.324 0.689 719 2HE MET 87 2HE MET 87 -6.198 16.796 0.404 720 3HE MET 87 3HE MET 87 -6.560 15.258 1.190 721 H THR 88 H THR 88 -5.027 12.848 5.863 722 HA THR 88 HA THR 88 -2.873 14.569 6.591 723 HB THR 88 HB THR 88 -3.516 11.728 7.392 724 HG1 THR 88 HG1 THR 88 -4.745 13.797 8.068 725 1HG2 THR 88 1HG2 THR 88 -1.866 12.098 9.222 726 2HG2 THR 88 2HG2 THR 88 -1.355 13.576 8.407 727 3HG2 THR 88 3HG2 THR 88 -1.135 12.013 7.621 728 H LYS 89 H LYS 89 -3.149 11.609 4.697 729 HA LYS 89 HA LYS 89 -0.328 11.266 4.368 730 1HB LYS 89 2HB LYS 89 -2.626 9.741 3.862 731 2HB LYS 89 3HB LYS 89 -1.904 10.023 2.283 732 1HG LYS 89 2HG LYS 89 -0.736 8.174 2.800 733 2HG LYS 89 3HG LYS 89 0.289 9.323 3.664 734 1HD LYS 89 2HD LYS 89 -2.026 8.319 5.178 735 2HD LYS 89 3HD LYS 89 -0.804 7.108 4.780 736 1HE LYS 89 2HE LYS 89 0.636 9.337 5.632 737 2HE LYS 89 3HE LYS 89 -0.732 9.233 6.739 738 1HZ LYS 89 1HZ LYS 89 0.935 6.876 6.100 739 2HZ LYS 89 2HZ LYS 89 -0.116 7.096 7.406 740 3HZ LYS 89 3HZ LYS 89 1.346 7.944 7.345 741 H TYR 90 H TYR 90 -2.502 13.452 3.094 742 HA TYR 90 HA TYR 90 -0.926 13.802 0.634 743 1HB TYR 90 2HB TYR 90 -3.111 13.606 -0.101 744 2HB TYR 90 3HB TYR 90 -3.775 14.380 1.333 745 HD1 TYR 90 HD1 TYR 90 -3.941 16.791 1.482 746 HD2 TYR 90 HD2 TYR 90 -2.254 14.939 -1.957 747 HE1 TYR 90 HE1 TYR 90 -4.120 18.916 0.257 748 HE2 TYR 90 HE2 TYR 90 -2.426 17.059 -3.191 749 HH TYR 90 HH TYR 90 -3.346 20.036 -1.610 750 H HIS 91 H HIS 91 -2.185 15.429 3.484 751 HA HIS 91 HA HIS 91 -0.846 17.915 2.743 752 1HB HIS 91 2HB HIS 91 -3.210 17.407 4.070 753 2HB HIS 91 3HB HIS 91 -2.109 17.817 5.382 754 HD1 HIS 91 HD1 HIS 91 -3.077 20.100 5.896 755 HD2 HIS 91 HD2 HIS 91 -1.984 19.653 1.913 756 HE1 HIS 91 HE1 HIS 91 -3.228 22.402 4.895 757 H ASP 92 H ASP 92 -0.458 15.173 4.809 758 HA ASP 92 HA ASP 92 1.687 16.487 6.311 759 1HB ASP 92 2HB ASP 92 -0.267 14.822 7.189 760 2HB ASP 92 3HB ASP 92 1.030 13.666 6.895 761 H LEU 93 H LEU 93 1.127 13.450 4.530 762 HA LEU 93 HA LEU 93 3.779 12.586 4.471 763 1HB LEU 93 2HB LEU 93 1.371 11.650 3.541 764 2HB LEU 93 3HB LEU 93 2.261 11.967 2.054 765 HG LEU 93 HG LEU 93 2.512 9.651 2.710 766 1HD1 LEU 93 1HD1 LEU 93 4.877 9.481 2.582 767 2HD1 LEU 93 2HD1 LEU 93 5.095 11.085 3.281 768 3HD1 LEU 93 3HD1 LEU 93 4.411 10.914 1.665 769 1HD2 LEU 93 1HD2 LEU 93 2.453 10.595 5.290 770 2HD2 LEU 93 2HD2 LEU 93 4.140 10.123 5.080 771 3HD2 LEU 93 3HD2 LEU 93 2.853 8.949 4.802 772 H LYS 94 H LYS 94 2.251 15.138 2.779 773 HA LYS 94 HA LYS 94 3.874 15.249 0.472 774 1HB LYS 94 2HB LYS 94 3.158 17.676 0.426 775 2HB LYS 94 3HB LYS 94 1.854 16.497 0.455 776 1HG LYS 94 2HG LYS 94 1.006 17.693 2.124 777 2HG LYS 94 3HG LYS 94 2.289 17.007 3.123 778 1HD LYS 94 2HD LYS 94 3.043 19.355 1.508 779 2HD LYS 94 3HD LYS 94 1.879 19.658 2.800 780 1HE LYS 94 2HE LYS 94 3.704 18.092 4.071 781 2HE LYS 94 3HE LYS 94 4.731 18.970 2.940 782 1HZ LYS 94 1HZ LYS 94 4.551 20.805 4.149 783 2HZ LYS 94 2HZ LYS 94 3.804 19.882 5.353 784 3HZ LYS 94 3HZ LYS 94 2.863 20.701 4.211 785 H LYS 95 H LYS 95 4.570 15.858 3.731 786 HA LYS 95 HA LYS 95 6.419 17.938 3.619 787 1HB LYS 95 2HB LYS 95 5.867 15.683 5.452 788 2HB LYS 95 3HB LYS 95 7.480 16.376 5.560 789 1HG LYS 95 2HG LYS 95 5.014 18.080 5.667 790 2HG LYS 95 3HG LYS 95 5.691 17.312 7.106 791 1HD LYS 95 2HD LYS 95 7.515 18.672 7.139 792 2HD LYS 95 3HD LYS 95 7.562 18.832 5.381 793 1HE LYS 95 2HE LYS 95 6.097 20.582 5.365 794 2HE LYS 95 3HE LYS 95 5.261 20.037 6.819 795 1HZ LYS 95 1HZ LYS 95 7.035 22.074 6.706 796 2HZ LYS 95 2HZ LYS 95 7.992 20.805 7.283 797 3HZ LYS 95 3HZ LYS 95 6.588 21.250 8.115 798 H GLN 96 H GLN 96 6.902 14.452 3.164 799 HA GLN 96 HA GLN 96 9.593 15.039 2.121 800 1HB GLN 96 2HB GLN 96 8.557 12.425 3.231 801 2HB GLN 96 3HB GLN 96 10.200 12.748 2.692 802 1HG GLN 96 2HG GLN 96 8.806 14.010 5.042 803 2HG GLN 96 3HG GLN 96 10.080 12.793 5.101 804 1HE2 GLN 96 1HE2 GLN 96 12.169 13.405 4.174 805 2HE2 GLN 96 2HE2 GLN 96 12.690 15.046 4.319 806 H GLY 97 H GLY 97 6.821 14.962 0.817 807 1HA GLY 97 2HA GLY 97 7.636 13.215 -1.416 808 2HA GLY 97 3HA GLY 97 5.983 13.193 -0.820 809 H LYS 98 H LYS 98 7.344 14.007 -3.434 810 HA LYS 98 HA LYS 98 6.392 16.773 -3.621 811 1HB LYS 98 2HB LYS 98 8.274 15.099 -5.236 812 2HB LYS 98 3HB LYS 98 7.470 16.464 -6.001 813 1HG LYS 98 2HG LYS 98 9.139 16.641 -3.501 814 2HG LYS 98 3HG LYS 98 9.715 17.003 -5.130 815 1HD LYS 98 2HD LYS 98 8.743 19.021 -5.136 816 2HD LYS 98 3HD LYS 98 7.242 18.393 -4.452 817 1HE LYS 98 2HE LYS 98 8.577 18.268 -2.243 818 2HE LYS 98 3HE LYS 98 9.703 19.363 -3.043 819 1HZ LYS 98 1HZ LYS 98 8.375 21.006 -2.419 820 2HZ LYS 98 2HZ LYS 98 7.191 19.936 -1.858 821 3HZ LYS 98 3HZ LYS 98 7.195 20.417 -3.480 822 H ILE 99 H ILE 99 4.356 17.036 -4.235 823 HA ILE 99 HA ILE 99 3.168 15.070 -6.077 824 HB ILE 99 HB ILE 99 1.935 15.136 -4.029 825 1HG1 ILE 99 2HG1 ILE 99 0.479 16.781 -6.111 826 2HG1 ILE 99 3HG1 ILE 99 0.614 15.026 -6.110 827 1HG2 ILE 99 1HG2 ILE 99 0.976 17.197 -3.122 828 2HG2 ILE 99 2HG2 ILE 99 2.736 17.277 -3.189 829 3HG2 ILE 99 3HG2 ILE 99 1.769 18.124 -4.396 830 1HD1 ILE 99 1HD1 ILE 99 -1.205 14.895 -4.870 831 2HD1 ILE 99 2HD1 ILE 99 -0.412 15.820 -3.595 832 3HD1 ILE 99 3HD1 ILE 99 -1.325 16.654 -4.852 833 H LYS 100 H LYS 100 2.091 15.742 -7.907 834 HA LYS 100 HA LYS 100 2.326 18.603 -8.575 835 1HB LYS 100 2HB LYS 100 2.519 16.359 -10.581 836 2HB LYS 100 3HB LYS 100 2.898 18.059 -10.823 837 1HG LYS 100 2HG LYS 100 4.689 17.650 -8.985 838 2HG LYS 100 3HG LYS 100 4.473 15.952 -9.417 839 1HD LYS 100 2HD LYS 100 6.189 16.582 -10.827 840 2HD LYS 100 3HD LYS 100 4.775 16.821 -11.856 841 1HE LYS 100 2HE LYS 100 4.821 19.158 -11.545 842 2HE LYS 100 3HE LYS 100 5.941 19.034 -10.189 843 1HZ LYS 100 1HZ LYS 100 7.374 17.904 -12.126 844 2HZ LYS 100 2HZ LYS 100 7.439 19.554 -11.762 845 3HZ LYS 100 3HZ LYS 100 6.476 19.009 -13.041 846 H ASP 101 H ASP 101 0.812 19.283 -10.333 847 HA ASP 101 HA ASP 101 -1.772 17.902 -10.018 848 1HB ASP 101 2HB ASP 101 -1.830 20.110 -9.024 849 2HB ASP 101 3HB ASP 101 -1.184 20.829 -10.497 850 H ARG 102 H ARG 102 -1.433 16.518 -11.792 851 HA ARG 102 HA ARG 102 -0.770 17.506 -14.385 852 1HB ARG 102 2HB ARG 102 -0.634 15.072 -13.310 853 2HB ARG 102 3HB ARG 102 -2.214 14.922 -14.068 854 1HG ARG 102 2HG ARG 102 -0.485 14.074 -15.530 855 2HG ARG 102 3HG ARG 102 -1.227 15.515 -16.229 856 1HD ARG 102 2HD ARG 102 1.285 15.394 -16.385 857 2HD ARG 102 3HD ARG 102 0.633 16.862 -15.658 858 HE ARG 102 HE ARG 102 1.618 16.281 -13.668 859 1HH1 ARG 102 2HH1 ARG 102 1.663 13.551 -15.828 860 2HH1 ARG 102 1HH1 ARG 102 2.701 12.602 -14.817 861 1HH2 ARG 102 2HH2 ARG 102 2.986 15.041 -12.328 862 2HH2 ARG 102 1HH2 ARG 102 3.453 13.450 -12.826 863 HA PRO 103 HA PRO 103 -4.752 18.995 -15.583 864 1HB PRO 103 2HB PRO 103 -4.307 19.121 -18.259 865 2HB PRO 103 3HB PRO 103 -3.628 20.286 -17.117 866 1HG PRO 103 2HG PRO 103 -2.338 17.897 -18.378 867 2HG PRO 103 3HG PRO 103 -1.677 19.523 -18.126 868 1HD PRO 103 2HD PRO 103 -1.074 17.439 -16.506 869 2HD PRO 103 3HD PRO 103 -1.167 19.111 -15.917 870 H VAL 104 H VAL 104 -6.659 18.091 -16.131 871 HA VAL 104 HA VAL 104 -6.802 15.303 -16.665 872 HB VAL 104 HB VAL 104 -8.522 16.581 -15.380 873 1HG1 VAL 104 1HG1 VAL 104 -9.999 18.057 -16.355 874 2HG1 VAL 104 2HG1 VAL 104 -8.510 18.427 -17.227 875 3HG1 VAL 104 3HG1 VAL 104 -9.743 17.410 -17.975 876 1HG2 VAL 104 1HG2 VAL 104 -9.033 14.362 -16.160 877 2HG2 VAL 104 2HG2 VAL 104 -10.462 15.378 -16.354 878 3HG2 VAL 104 3HG2 VAL 104 -9.466 14.979 -17.754 879 H LYS 105 H LYS 105 -7.135 14.208 -18.522 880 HA LYS 105 HA LYS 105 -6.916 15.713 -21.010 881 1HB LYS 105 2HB LYS 105 -6.715 12.761 -20.401 882 2HB LYS 105 3HB LYS 105 -6.599 13.433 -22.022 883 1HG LYS 105 2HG LYS 105 -4.785 14.367 -19.830 884 2HG LYS 105 3HG LYS 105 -4.434 12.903 -20.752 885 1HD LYS 105 2HD LYS 105 -5.100 15.392 -22.244 886 2HD LYS 105 3HD LYS 105 -3.505 15.260 -21.499 887 1HE LYS 105 2HE LYS 105 -4.575 13.030 -23.183 888 2HE LYS 105 3HE LYS 105 -3.858 14.450 -23.944 889 1HZ LYS 105 1HZ LYS 105 -2.391 13.072 -21.802 890 2HZ LYS 105 2HZ LYS 105 -1.794 13.969 -23.106 891 3HZ LYS 105 3HZ LYS 105 -2.393 12.407 -23.358 892 H GLU 106 H GLU 106 -8.410 15.659 -22.656 893 HA GLU 106 HA GLU 106 -11.123 15.165 -21.888 894 1HB GLU 106 2HB GLU 106 -10.079 15.812 -24.646 895 2HB GLU 106 3HB GLU 106 -11.717 16.038 -24.051 896 1HG GLU 106 2HG GLU 106 -10.868 17.707 -22.445 897 2HG GLU 106 3HG GLU 106 -9.262 17.523 -23.147 898 H VAL 107 H VAL 107 -12.477 13.540 -22.482 899 HA VAL 107 HA VAL 107 -11.248 11.271 -23.901 900 HB VAL 107 HB VAL 107 -13.251 11.422 -21.690 901 1HG1 VAL 107 1HG1 VAL 107 -13.704 8.951 -22.181 902 2HG1 VAL 107 2HG1 VAL 107 -14.536 10.149 -23.175 903 3HG1 VAL 107 3HG1 VAL 107 -13.126 9.301 -23.809 904 1HG2 VAL 107 1HG2 VAL 107 -11.618 9.135 -21.562 905 2HG2 VAL 107 2HG2 VAL 107 -10.579 10.464 -22.078 906 3HG2 VAL 107 3HG2 VAL 107 -11.507 10.599 -20.585 907 H HIS 108 H HIS 108 -12.264 10.334 -25.621 908 HA HIS 108 HA HIS 108 -14.752 11.617 -26.544 909 1HB HIS 108 2HB HIS 108 -13.891 11.050 -28.879 910 2HB HIS 108 3HB HIS 108 -13.072 12.361 -28.035 911 HD1 HIS 108 HD1 HIS 108 -10.640 11.924 -27.241 912 HD2 HIS 108 HD2 HIS 108 -12.335 8.789 -29.377 913 HE1 HIS 108 HE1 HIS 108 -8.728 10.402 -27.832 914 H GLU 109 H GLU 109 -15.745 10.158 -28.387 915 HA GLU 109 HA GLU 109 -16.373 7.654 -27.115 916 1HB GLU 109 2HB GLU 109 -17.312 8.450 -29.854 917 2HB GLU 109 3HB GLU 109 -18.133 7.466 -28.650 918 1HG GLU 109 2HG GLU 109 -18.296 9.543 -27.234 919 2HG GLU 109 3HG GLU 109 -17.742 10.443 -28.645 920 H GLU 110 H GLU 110 -15.340 5.806 -27.432 921 HA GLU 110 HA GLU 110 -14.702 4.644 -29.846 922 1HB GLU 110 2HB GLU 110 -12.878 6.730 -29.235 923 2HB GLU 110 3HB GLU 110 -12.020 5.210 -29.023 924 1HG GLU 110 2HG GLU 110 -12.049 4.725 -31.222 925 2HG GLU 110 3HG GLU 110 -13.641 5.441 -31.471 926 H TYR 111 H TYR 111 -12.455 3.182 -29.367 927 HA TYR 111 HA TYR 111 -12.999 1.909 -26.765 928 1HB TYR 111 2HB TYR 111 -12.122 0.427 -29.241 929 2HB TYR 111 3HB TYR 111 -12.732 -0.249 -27.735 930 HD1 TYR 111 HD1 TYR 111 -15.091 -0.381 -27.300 931 HD2 TYR 111 HD2 TYR 111 -13.658 1.501 -30.836 932 HE1 TYR 111 HE1 TYR 111 -17.368 -0.406 -28.228 933 HE2 TYR 111 HE2 TYR 111 -15.932 1.483 -31.774 934 HH TYR 111 HH TYR 111 -18.618 1.122 -30.077 935 H ASP 112 H ASP 112 -11.250 3.312 -26.008 936 HA ASP 112 HA ASP 112 -8.597 2.246 -26.724 937 1HB ASP 112 2HB ASP 112 -9.520 5.022 -26.113 938 2HB ASP 112 3HB ASP 112 -7.882 4.559 -25.657 939 H LEU 113 H LEU 113 -10.256 3.909 -24.036 940 HA LEU 113 HA LEU 113 -8.505 3.088 -22.023 941 1HB LEU 113 2HB LEU 113 -11.440 3.488 -21.561 942 2HB LEU 113 3HB LEU 113 -10.094 3.854 -20.483 943 HG LEU 113 HG LEU 113 -10.914 5.375 -22.954 944 1HD1 LEU 113 1HD1 LEU 113 -10.980 7.209 -21.112 945 2HD1 LEU 113 2HD1 LEU 113 -11.122 5.840 -20.011 946 3HD1 LEU 113 3HD1 LEU 113 -12.327 6.083 -21.275 947 1HD2 LEU 113 1HD2 LEU 113 -8.517 5.717 -21.158 948 2HD2 LEU 113 2HD2 LEU 113 -9.078 6.928 -22.312 949 3HD2 LEU 113 3HD2 LEU 113 -8.518 5.356 -22.884 950 H TRP 114 H TRP 114 -9.747 1.818 -20.040 951 HA TRP 114 HA TRP 114 -9.593 -0.893 -20.762 952 1HB TRP 114 2HB TRP 114 -10.673 0.488 -18.306 953 2HB TRP 114 3HB TRP 114 -10.619 -1.266 -18.458 954 HD1 TRP 114 HD1 TRP 114 -8.766 1.189 -16.758 955 HE1 TRP 114 HE1 TRP 114 -6.272 0.603 -16.518 956 HE3 TRP 114 HE3 TRP 114 -8.439 -2.448 -20.336 957 HZ2 TRP 114 HZ2 TRP 114 -4.411 -1.167 -17.690 958 HZ3 TRP 114 HZ3 TRP 114 -6.265 -3.538 -20.714 959 HH2 TRP 114 HH2 TRP 114 -4.294 -2.909 -19.418 960 H GLU 115 H GLU 115 -12.357 1.252 -20.263 961 HA GLU 115 HA GLU 115 -14.588 0.997 -20.658 962 1HB GLU 115 2HB GLU 115 -13.274 -0.494 -22.898 963 2HB GLU 115 3HB GLU 115 -15.026 -0.515 -22.755 964 1HG GLU 115 2HG GLU 115 -14.554 2.127 -22.517 965 2HG GLU 115 3HG GLU 115 -13.217 1.653 -23.564 966 H ASP 116 H ASP 116 -14.421 -0.266 -18.533 967 HA ASP 116 HA ASP 116 -16.181 -2.443 -18.635 968 1HB ASP 116 2HB ASP 116 -13.407 -3.138 -19.017 969 2HB ASP 116 3HB ASP 116 -14.009 -3.842 -17.518 970 HA PRO 117 HA PRO 117 -14.521 -2.030 -14.128 971 1HB PRO 117 2HB PRO 117 -12.326 -0.483 -13.727 972 2HB PRO 117 3HB PRO 117 -12.231 -2.211 -14.087 973 1HG PRO 117 2HG PRO 117 -11.882 0.129 -15.922 974 2HG PRO 117 3HG PRO 117 -10.930 -1.363 -15.818 975 1HD PRO 117 2HD PRO 117 -12.829 -0.976 -17.709 976 2HD PRO 117 3HD PRO 117 -12.466 -2.577 -17.034 977 H ILE 118 H ILE 118 -13.523 0.965 -15.803 978 HA ILE 118 HA ILE 118 -14.935 2.589 -13.874 979 HB ILE 118 HB ILE 118 -14.236 4.423 -15.633 980 1HG1 ILE 118 2HG1 ILE 118 -12.237 3.823 -16.886 981 2HG1 ILE 118 3HG1 ILE 118 -12.294 2.185 -16.246 982 1HG2 ILE 118 1HG2 ILE 118 -13.096 4.806 -13.747 983 2HG2 ILE 118 2HG2 ILE 118 -12.838 3.089 -13.446 984 3HG2 ILE 118 3HG2 ILE 118 -11.769 3.962 -14.544 985 1HD1 ILE 118 1HD1 ILE 118 -14.638 3.209 -17.757 986 2HD1 ILE 118 2HD1 ILE 118 -13.187 2.735 -18.640 987 3HD1 ILE 118 3HD1 ILE 118 -14.015 1.566 -17.612 988 H TRP 119 H TRP 119 -15.751 0.969 -16.698 989 HA TRP 119 HA TRP 119 -17.618 2.839 -17.785 990 1HB TRP 119 2HB TRP 119 -16.518 0.942 -19.048 991 2HB TRP 119 3HB TRP 119 -17.602 -0.154 -18.195 992 HD1 TRP 119 HD1 TRP 119 -19.541 -0.826 -19.705 993 HE1 TRP 119 HE1 TRP 119 -20.996 0.333 -21.484 994 HE3 TRP 119 HE3 TRP 119 -17.343 3.789 -19.670 995 HZ2 TRP 119 HZ2 TRP 119 -21.187 2.868 -22.710 996 HZ3 TRP 119 HZ3 TRP 119 -18.221 5.525 -21.176 997 HH2 TRP 119 HH2 TRP 119 -20.103 5.072 -22.665 998 H GLN 120 H GLN 120 -17.808 0.151 -15.520 999 HA GLN 120 HA GLN 120 -20.696 0.485 -15.270 1000 1HB GLN 120 2HB GLN 120 -19.881 -1.795 -15.389 1001 2HB GLN 120 3HB GLN 120 -18.794 -1.512 -14.036 1002 1HG GLN 120 2HG GLN 120 -20.578 -1.374 -12.502 1003 2HG GLN 120 3HG GLN 120 -21.774 -1.258 -13.791 1004 1HE2 GLN 120 1HE2 GLN 120 -22.167 -3.080 -11.861 1005 2HE2 GLN 120 2HE2 GLN 120 -21.893 -4.678 -12.459 1006 H TYR 121 H TYR 121 -18.207 -0.090 -12.797 1007 HA TYR 121 HA TYR 121 -18.729 2.387 -11.453 1008 1HB TYR 121 2HB TYR 121 -20.070 -0.116 -10.574 1009 2HB TYR 121 3HB TYR 121 -19.390 0.912 -9.317 1010 HD1 TYR 121 HD1 TYR 121 -20.052 3.441 -9.446 1011 HD2 TYR 121 HD2 TYR 121 -22.215 0.307 -11.345 1012 HE1 TYR 121 HE1 TYR 121 -22.044 4.880 -9.541 1013 HE2 TYR 121 HE2 TYR 121 -24.212 1.738 -11.446 1014 HH TYR 121 HH TYR 121 -24.613 4.341 -11.470 1015 H ILE 122 H ILE 122 -17.551 2.462 -9.312 1016 HA ILE 122 HA ILE 122 -14.876 1.856 -9.633 1017 HB ILE 122 HB ILE 122 -14.570 2.338 -7.276 1018 1HG1 ILE 122 2HG1 ILE 122 -17.586 2.178 -7.073 1019 2HG1 ILE 122 3HG1 ILE 122 -16.454 1.005 -6.410 1020 1HG2 ILE 122 1HG2 ILE 122 -16.782 4.159 -8.147 1021 2HG2 ILE 122 2HG2 ILE 122 -15.283 4.549 -7.306 1022 3HG2 ILE 122 3HG2 ILE 122 -15.248 4.119 -9.016 1023 1HD1 ILE 122 1HD1 ILE 122 -15.636 3.454 -5.378 1024 2HD1 ILE 122 2HD1 ILE 122 -17.398 3.476 -5.292 1025 3HD1 ILE 122 3HD1 ILE 122 -16.494 2.167 -4.531 Start of MODEL 13 1 H MET 1 H MET 1 7.206 -9.239 -3.911 2 HA MET 1 HA MET 1 4.599 -9.245 -4.553 3 1HB MET 1 2HB MET 1 4.227 -7.822 -2.449 4 2HB MET 1 3HB MET 1 5.095 -9.339 -2.264 5 1HG MET 1 2HG MET 1 7.205 -8.167 -2.207 6 2HG MET 1 3HG MET 1 6.390 -6.635 -2.507 7 1HE MET 1 1HE MET 1 7.345 -8.493 1.409 8 2HE MET 1 2HE MET 1 7.648 -9.162 -0.194 9 3HE MET 1 3HE MET 1 8.380 -7.626 0.273 10 H GLN 2 H GLN 2 5.898 -7.606 -6.505 11 HA GLN 2 HA GLN 2 5.169 -4.875 -6.161 12 1HB GLN 2 2HB GLN 2 5.614 -6.273 -8.794 13 2HB GLN 2 3HB GLN 2 5.836 -4.568 -8.427 14 1HG GLN 2 2HG GLN 2 7.550 -6.894 -7.653 15 2HG GLN 2 3HG GLN 2 7.994 -5.428 -8.527 16 1HE2 GLN 2 1HE2 GLN 2 7.408 -3.382 -7.140 17 2HE2 GLN 2 2HE2 GLN 2 8.024 -3.423 -5.526 18 H LYS 3 H LYS 3 3.853 -4.051 -8.345 19 HA LYS 3 HA LYS 3 1.160 -5.027 -7.842 20 1HB LYS 3 2HB LYS 3 2.290 -2.627 -9.258 21 2HB LYS 3 3HB LYS 3 0.598 -3.071 -9.438 22 1HG LYS 3 2HG LYS 3 0.476 -3.016 -6.899 23 2HG LYS 3 3HG LYS 3 2.046 -2.210 -6.956 24 1HD LYS 3 2HD LYS 3 0.992 -0.534 -8.523 25 2HD LYS 3 3HD LYS 3 -0.565 -1.265 -8.125 26 1HE LYS 3 2HE LYS 3 -0.464 -0.563 -5.907 27 2HE LYS 3 3HE LYS 3 1.282 -0.324 -5.962 28 1HZ LYS 3 1HZ LYS 3 0.283 1.802 -5.981 29 2HZ LYS 3 2HZ LYS 3 -0.812 1.372 -7.196 30 3HZ LYS 3 3HZ LYS 3 0.833 1.530 -7.557 31 H GLY 4 H GLY 4 2.656 -3.944 -10.885 32 1HA GLY 4 2HA GLY 4 2.571 -4.820 -13.005 33 2HA GLY 4 3HA GLY 4 2.607 -6.395 -12.226 34 H LEU 5 H LEU 5 0.008 -4.303 -11.398 35 HA LEU 5 HA LEU 5 -1.784 -5.849 -13.154 36 1HB LEU 5 2HB LEU 5 -1.788 -5.500 -10.306 37 2HB LEU 5 3HB LEU 5 -3.268 -4.833 -10.993 38 HG LEU 5 HG LEU 5 -3.457 -7.195 -10.225 39 1HD1 LEU 5 1HD1 LEU 5 -4.644 -7.979 -12.206 40 2HD1 LEU 5 2HD1 LEU 5 -3.860 -6.734 -13.177 41 3HD1 LEU 5 3HD1 LEU 5 -4.980 -6.276 -11.894 42 1HD2 LEU 5 1HD2 LEU 5 -2.449 -8.951 -11.590 43 2HD2 LEU 5 2HD2 LEU 5 -1.214 -7.943 -10.835 44 3HD2 LEU 5 3HD2 LEU 5 -1.602 -7.733 -12.543 45 H GLU 6 H GLU 6 -3.777 -4.757 -13.781 46 HA GLU 6 HA GLU 6 -3.407 -1.839 -13.968 47 1HB GLU 6 2HB GLU 6 -4.817 -3.660 -15.927 48 2HB GLU 6 3HB GLU 6 -4.595 -1.925 -16.102 49 1HG GLU 6 2HG GLU 6 -2.149 -2.286 -16.143 50 2HG GLU 6 3HG GLU 6 -2.440 -4.024 -16.096 51 H ILE 7 H ILE 7 -4.879 -0.646 -12.971 52 HA ILE 7 HA ILE 7 -7.600 -1.713 -12.652 53 HB ILE 7 HB ILE 7 -7.567 -0.429 -10.395 54 1HG1 ILE 7 2HG1 ILE 7 -5.122 0.336 -11.050 55 2HG1 ILE 7 3HG1 ILE 7 -5.549 0.009 -9.374 56 1HG2 ILE 7 1HG2 ILE 7 -6.683 -2.484 -9.251 57 2HG2 ILE 7 2HG2 ILE 7 -7.933 -2.775 -10.459 58 3HG2 ILE 7 3HG2 ILE 7 -6.242 -3.094 -10.846 59 1HD1 ILE 7 1HD1 ILE 7 -4.326 -1.920 -9.299 60 2HD1 ILE 7 2HD1 ILE 7 -4.451 -2.198 -11.036 61 3HD1 ILE 7 3HD1 ILE 7 -3.361 -0.957 -10.418 62 H ALA 8 H ALA 8 -9.260 -0.201 -12.672 63 HA ALA 8 HA ALA 8 -8.465 2.546 -13.394 64 1HB ALA 8 1HB ALA 8 -9.836 2.577 -15.186 65 2HB ALA 8 2HB ALA 8 -9.603 0.829 -15.123 66 3HB ALA 8 3HB ALA 8 -11.047 1.552 -14.414 67 H PHE 9 H PHE 9 -9.662 4.232 -12.562 68 HA PHE 9 HA PHE 9 -11.812 3.539 -10.679 69 1HB PHE 9 2HB PHE 9 -9.807 3.927 -9.357 70 2HB PHE 9 3HB PHE 9 -9.531 5.461 -10.176 71 HD1 PHE 9 HD1 PHE 9 -9.951 7.272 -8.849 72 HD2 PHE 9 HD2 PHE 9 -12.436 3.836 -8.479 73 HE1 PHE 9 HE1 PHE 9 -11.288 8.427 -7.135 74 HE2 PHE 9 HE2 PHE 9 -13.777 4.985 -6.766 75 HZ PHE 9 HZ PHE 9 -13.204 7.284 -6.093 76 H GLN 10 H GLN 10 -13.553 4.866 -10.687 77 HA GLN 10 HA GLN 10 -13.513 7.063 -12.636 78 1HB GLN 10 2HB GLN 10 -15.957 6.832 -12.687 79 2HB GLN 10 3HB GLN 10 -15.156 5.318 -13.086 80 1HG GLN 10 2HG GLN 10 -15.824 4.291 -11.156 81 2HG GLN 10 3HG GLN 10 -15.956 5.806 -10.266 82 1HE2 GLN 10 1HE2 GLN 10 -17.984 5.938 -9.606 83 2HE2 GLN 10 2HE2 GLN 10 -19.384 5.730 -10.597 84 H THR 11 H THR 11 -14.790 8.992 -12.133 85 HA THR 11 HA THR 11 -15.446 9.537 -9.381 86 HB THR 11 HB THR 11 -13.185 10.014 -9.035 87 HG1 THR 11 HG1 THR 11 -13.445 12.032 -8.417 88 1HG2 THR 11 1HG2 THR 11 -13.240 10.939 -11.866 89 2HG2 THR 11 2HG2 THR 11 -12.075 9.905 -11.039 90 3HG2 THR 11 3HG2 THR 11 -12.050 11.649 -10.776 91 H ILE 12 H ILE 12 -16.833 11.249 -9.164 92 HA ILE 12 HA ILE 12 -17.283 12.982 -11.482 93 HB ILE 12 HB ILE 12 -19.612 11.722 -10.052 94 1HG1 ILE 12 2HG1 ILE 12 -19.668 10.473 -12.427 95 2HG1 ILE 12 3HG1 ILE 12 -17.925 10.646 -12.251 96 1HG2 ILE 12 1HG2 ILE 12 -19.293 13.238 -12.634 97 2HG2 ILE 12 2HG2 ILE 12 -20.771 12.397 -12.169 98 3HG2 ILE 12 3HG2 ILE 12 -20.174 13.737 -11.190 99 1HD1 ILE 12 1HD1 ILE 12 -17.926 8.834 -10.990 100 2HD1 ILE 12 2HD1 ILE 12 -18.880 9.703 -9.787 101 3HD1 ILE 12 3HD1 ILE 12 -19.687 8.759 -11.038 102 H ASN 13 H ASN 13 -18.880 12.349 -8.354 103 HA ASN 13 HA ASN 13 -19.499 14.998 -7.780 104 1HB ASN 13 2HB ASN 13 -20.218 12.768 -6.614 105 2HB ASN 13 3HB ASN 13 -18.829 13.077 -5.576 106 1HD2 ASN 13 1HD2 ASN 13 -20.784 13.059 -4.072 107 2HD2 ASN 13 2HD2 ASN 13 -21.490 14.600 -3.737 108 H GLY 14 H GLY 14 -18.568 16.512 -6.313 109 1HA GLY 14 2HA GLY 14 -15.817 16.935 -6.667 110 2HA GLY 14 3HA GLY 14 -16.831 17.773 -5.502 111 H LEU 15 H LEU 15 -17.459 14.936 -4.430 112 HA LEU 15 HA LEU 15 -15.475 15.009 -2.364 113 1HB LEU 15 2HB LEU 15 -17.859 13.308 -2.959 114 2HB LEU 15 3HB LEU 15 -16.705 12.803 -1.727 115 HG LEU 15 HG LEU 15 -18.603 13.926 -0.718 116 1HD1 LEU 15 1HD1 LEU 15 -15.954 14.459 -0.227 117 2HD1 LEU 15 2HD1 LEU 15 -17.306 14.883 0.822 118 3HD1 LEU 15 3HD1 LEU 15 -16.673 16.067 -0.321 119 1HD2 LEU 15 1HD2 LEU 15 -19.357 16.037 -1.274 120 2HD2 LEU 15 2HD2 LEU 15 -18.933 15.371 -2.852 121 3HD2 LEU 15 3HD2 LEU 15 -17.836 16.492 -2.044 122 H ASP 16 H ASP 16 -16.003 13.158 -5.266 123 HA ASP 16 HA ASP 16 -14.070 11.125 -4.591 124 1HB ASP 16 2HB ASP 16 -16.109 10.807 -6.096 125 2HB ASP 16 3HB ASP 16 -15.202 11.675 -7.331 126 H GLU 17 H GLU 17 -14.181 14.051 -6.544 127 HA GLU 17 HA GLU 17 -11.865 13.838 -8.008 128 1HB GLU 17 2HB GLU 17 -13.685 15.842 -7.489 129 2HB GLU 17 3HB GLU 17 -12.195 16.492 -6.821 130 1HG GLU 17 2HG GLU 17 -11.151 15.826 -9.079 131 2HG GLU 17 3HG GLU 17 -12.819 15.735 -9.644 132 H SER 18 H SER 18 -12.205 15.005 -4.671 133 HA SER 18 HA SER 18 -9.572 15.724 -4.188 134 1HB SER 18 2HB SER 18 -11.410 14.415 -2.173 135 2HB SER 18 3HB SER 18 -10.074 15.516 -1.839 136 HG SER 18 HG SER 18 -11.808 16.812 -1.796 137 H LEU 19 H LEU 19 -11.115 12.551 -3.875 138 HA LEU 19 HA LEU 19 -8.868 11.204 -2.825 139 1HB LEU 19 2HB LEU 19 -11.184 10.357 -2.731 140 2HB LEU 19 3HB LEU 19 -11.131 10.082 -4.471 141 HG LEU 19 HG LEU 19 -10.795 8.082 -2.885 142 1HD1 LEU 19 1HD1 LEU 19 -8.563 7.739 -4.577 143 2HD1 LEU 19 2HD1 LEU 19 -9.721 8.751 -5.439 144 3HD1 LEU 19 3HD1 LEU 19 -10.217 7.176 -4.821 145 1HD2 LEU 19 1HD2 LEU 19 -7.940 8.985 -2.879 146 2HD2 LEU 19 2HD2 LEU 19 -8.720 7.743 -1.900 147 3HD2 LEU 19 3HD2 LEU 19 -9.035 9.448 -1.577 148 H VAL 20 H VAL 20 -9.913 11.914 -6.098 149 HA VAL 20 HA VAL 20 -8.139 10.178 -7.448 150 HB VAL 20 HB VAL 20 -9.377 12.769 -8.388 151 1HG1 VAL 20 1HG1 VAL 20 -7.896 10.614 -9.878 152 2HG1 VAL 20 2HG1 VAL 20 -8.950 11.788 -10.669 153 3HG1 VAL 20 3HG1 VAL 20 -7.518 12.334 -9.796 154 1HG2 VAL 20 1HG2 VAL 20 -10.394 10.303 -9.522 155 2HG2 VAL 20 2HG2 VAL 20 -10.588 10.353 -7.770 156 3HG2 VAL 20 3HG2 VAL 20 -11.263 11.640 -8.769 157 H GLN 21 H GLN 21 -7.925 13.693 -6.868 158 HA GLN 21 HA GLN 21 -5.289 13.936 -7.863 159 1HB GLN 21 2HB GLN 21 -7.112 15.670 -6.251 160 2HB GLN 21 3HB GLN 21 -5.411 16.104 -6.369 161 1HG GLN 21 2HG GLN 21 -5.735 15.890 -8.901 162 2HG GLN 21 3HG GLN 21 -7.460 15.937 -8.544 163 1HE2 GLN 21 1HE2 GLN 21 -7.754 17.753 -6.653 164 2HE2 GLN 21 2HE2 GLN 21 -7.181 19.303 -7.156 165 H ALA 22 H ALA 22 -6.601 13.148 -4.729 166 HA ALA 22 HA ALA 22 -4.193 13.566 -3.256 167 1HB ALA 22 1HB ALA 22 -5.405 12.091 -1.548 168 2HB ALA 22 2HB ALA 22 -6.142 13.637 -1.971 169 3HB ALA 22 3HB ALA 22 -6.767 12.142 -2.668 170 H LEU 23 H LEU 23 -5.834 10.630 -4.437 171 HA LEU 23 HA LEU 23 -3.862 8.816 -3.593 172 1HB LEU 23 2HB LEU 23 -5.047 7.206 -4.717 173 2HB LEU 23 3HB LEU 23 -6.282 8.436 -4.459 174 HG LEU 23 HG LEU 23 -5.525 9.207 -6.869 175 1HD1 LEU 23 1HD1 LEU 23 -4.142 7.844 -7.933 176 2HD1 LEU 23 2HD1 LEU 23 -5.298 6.525 -7.749 177 3HD1 LEU 23 3HD1 LEU 23 -4.066 6.796 -6.516 178 1HD2 LEU 23 1HD2 LEU 23 -7.279 7.692 -7.797 179 2HD2 LEU 23 2HD2 LEU 23 -7.774 8.584 -6.358 180 3HD2 LEU 23 3HD2 LEU 23 -7.331 6.881 -6.232 181 H ALA 24 H ALA 24 -4.196 10.734 -6.512 182 HA ALA 24 HA ALA 24 -2.183 9.437 -8.024 183 1HB ALA 24 1HB ALA 24 -3.471 10.697 -9.406 184 2HB ALA 24 2HB ALA 24 -3.683 11.985 -8.219 185 3HB ALA 24 3HB ALA 24 -2.175 11.859 -9.124 186 H GLY 25 H GLY 25 -2.141 12.235 -5.849 187 1HA GLY 25 2HA GLY 25 0.576 12.919 -6.318 188 2HA GLY 25 3HA GLY 25 -0.399 13.437 -4.951 189 H VAL 26 H VAL 26 -0.990 11.108 -3.684 190 HA VAL 26 HA VAL 26 1.374 10.571 -2.252 191 HB VAL 26 HB VAL 26 -0.829 10.331 -1.228 192 1HG1 VAL 26 1HG1 VAL 26 -2.391 8.680 -1.811 193 2HG1 VAL 26 2HG1 VAL 26 -1.852 9.354 -3.351 194 3HG1 VAL 26 3HG1 VAL 26 -1.223 7.801 -2.798 195 1HG2 VAL 26 1HG2 VAL 26 -0.026 8.838 0.224 196 2HG2 VAL 26 2HG2 VAL 26 -0.024 7.548 -0.978 197 3HG2 VAL 26 3HG2 VAL 26 1.340 8.661 -0.878 198 H THR 27 H THR 27 -0.292 8.811 -4.816 199 HA THR 27 HA THR 27 1.271 6.460 -4.695 200 HB THR 27 HB THR 27 -0.312 7.658 -6.973 201 HG1 THR 27 HG1 THR 27 -1.312 6.767 -4.931 202 1HG2 THR 27 1HG2 THR 27 -0.102 4.970 -7.484 203 2HG2 THR 27 2HG2 THR 27 1.515 5.376 -6.911 204 3HG2 THR 27 3HG2 THR 27 0.825 6.236 -8.286 205 H ALA 28 H ALA 28 1.501 9.343 -6.768 206 HA ALA 28 HA ALA 28 3.843 8.459 -8.125 207 1HB ALA 28 1HB ALA 28 2.350 11.040 -7.957 208 2HB ALA 28 2HB ALA 28 3.954 11.001 -8.692 209 3HB ALA 28 3HB ALA 28 2.656 10.006 -9.354 210 H SER 29 H SER 29 3.243 10.258 -5.196 211 HA SER 29 HA SER 29 5.909 11.267 -4.925 212 1HB SER 29 2HB SER 29 5.215 12.039 -2.754 213 2HB SER 29 3HB SER 29 3.875 12.304 -3.869 214 HG SER 29 HG SER 29 4.135 10.418 -1.807 215 H ASP 30 H ASP 30 4.205 8.389 -3.917 216 HA ASP 30 HA ASP 30 6.390 7.518 -2.210 217 1HB ASP 30 2HB ASP 30 3.700 6.356 -2.912 218 2HB ASP 30 3HB ASP 30 4.906 5.428 -2.024 219 H PHE 31 H PHE 31 4.899 6.627 -5.292 220 HA PHE 31 HA PHE 31 5.497 4.984 -6.810 221 1HB PHE 31 2HB PHE 31 7.698 5.527 -7.824 222 2HB PHE 31 3HB PHE 31 6.701 6.953 -7.557 223 HD1 PHE 31 HD1 PHE 31 7.194 8.433 -5.599 224 HD2 PHE 31 HD2 PHE 31 9.817 5.317 -6.836 225 HE1 PHE 31 HE1 PHE 31 9.028 9.480 -4.336 226 HE2 PHE 31 HE2 PHE 31 11.655 6.359 -5.574 227 HZ PHE 31 HZ PHE 31 11.261 8.442 -4.321 228 HA PRO 32 HA PRO 32 7.747 2.328 -3.655 229 1HB PRO 32 2HB PRO 32 5.760 0.504 -3.351 230 2HB PRO 32 3HB PRO 32 5.875 1.970 -2.371 231 1HG PRO 32 2HG PRO 32 4.172 1.426 -4.772 232 2HG PRO 32 3HG PRO 32 3.743 2.242 -3.258 233 1HD PRO 32 2HD PRO 32 4.329 3.598 -5.527 234 2HD PRO 32 3HD PRO 32 4.701 4.233 -3.912 235 H ASP 33 H ASP 33 5.764 1.588 -6.477 236 HA ASP 33 HA ASP 33 7.162 -0.901 -6.977 237 1HB ASP 33 2HB ASP 33 5.142 0.540 -8.709 238 2HB ASP 33 3HB ASP 33 5.685 -1.125 -8.897 239 H LEU 34 H LEU 34 7.497 2.401 -7.792 240 HA LEU 34 HA LEU 34 8.993 3.536 -9.073 241 1HB LEU 34 2HB LEU 34 10.412 0.918 -9.486 242 2HB LEU 34 3HB LEU 34 11.091 2.542 -9.563 243 HG LEU 34 HG LEU 34 9.979 1.444 -7.001 244 1HD1 LEU 34 1HD1 LEU 34 11.916 0.091 -8.277 245 2HD1 LEU 34 2HD1 LEU 34 11.824 0.239 -6.523 246 3HD1 LEU 34 3HD1 LEU 34 12.891 1.300 -7.442 247 1HD2 LEU 34 1HD2 LEU 34 10.742 3.338 -6.116 248 2HD2 LEU 34 2HD2 LEU 34 10.972 3.919 -7.765 249 3HD2 LEU 34 3HD2 LEU 34 12.310 3.158 -6.904 250 H ASP 35 H ASP 35 6.735 1.770 -10.220 251 HA ASP 35 HA ASP 35 7.262 2.453 -12.971 252 1HB ASP 35 2HB ASP 35 6.581 0.012 -13.634 253 2HB ASP 35 3HB ASP 35 8.258 0.380 -13.240 254 H ILE 36 H ILE 36 5.424 3.713 -11.733 255 HA ILE 36 HA ILE 36 2.873 2.300 -12.121 256 HB ILE 36 HB ILE 36 2.954 3.111 -9.907 257 1HG1 ILE 36 2HG1 ILE 36 1.008 3.921 -11.633 258 2HG1 ILE 36 3HG1 ILE 36 0.945 4.153 -9.889 259 1HG2 ILE 36 1HG2 ILE 36 3.447 5.527 -9.417 260 2HG2 ILE 36 2HG2 ILE 36 4.820 4.576 -9.982 261 3HG2 ILE 36 3HG2 ILE 36 3.996 5.676 -11.086 262 1HD1 ILE 36 1HD1 ILE 36 2.073 6.186 -11.790 263 2HD1 ILE 36 2HD1 ILE 36 0.393 6.166 -11.254 264 3HD1 ILE 36 3HD1 ILE 36 1.690 6.396 -10.082 265 H LYS 37 H LYS 37 1.624 2.839 -13.780 266 HA LYS 37 HA LYS 37 2.096 5.429 -15.106 267 1HB LYS 37 2HB LYS 37 1.943 2.705 -16.167 268 2HB LYS 37 3HB LYS 37 0.900 3.839 -17.014 269 1HG LYS 37 2HG LYS 37 2.867 3.960 -18.213 270 2HG LYS 37 3HG LYS 37 3.001 5.337 -17.117 271 1HD LYS 37 2HD LYS 37 4.058 2.922 -15.922 272 2HD LYS 37 3HD LYS 37 4.848 3.282 -17.459 273 1HE LYS 37 2HE LYS 37 5.815 5.172 -16.671 274 2HE LYS 37 3HE LYS 37 4.448 5.565 -15.630 275 1HZ LYS 37 1HZ LYS 37 5.565 4.750 -13.920 276 2HZ LYS 37 2HZ LYS 37 6.874 4.368 -14.920 277 3HZ LYS 37 3HZ LYS 37 5.649 3.231 -14.660 278 H TYR 38 H TYR 38 0.490 6.653 -14.249 279 HA TYR 38 HA TYR 38 -2.264 5.667 -14.615 280 1HB TYR 38 2HB TYR 38 -2.949 6.644 -12.613 281 2HB TYR 38 3HB TYR 38 -1.358 6.013 -12.204 282 HD1 TYR 38 HD1 TYR 38 0.623 7.747 -12.624 283 HD2 TYR 38 HD2 TYR 38 -3.446 8.802 -11.971 284 HE1 TYR 38 HE1 TYR 38 1.328 9.987 -11.891 285 HE2 TYR 38 HE2 TYR 38 -2.753 11.045 -11.238 286 HH TYR 38 HH TYR 38 0.649 12.035 -11.317 287 H ASN 39 H ASN 39 -3.883 7.413 -14.902 288 HA ASN 39 HA ASN 39 -2.990 9.995 -15.775 289 1HB ASN 39 2HB ASN 39 -4.216 9.456 -18.095 290 2HB ASN 39 3HB ASN 39 -2.483 9.238 -17.870 291 1HD2 ASN 39 1HD2 ASN 39 -1.675 7.132 -17.510 292 2HD2 ASN 39 2HD2 ASN 39 -2.566 5.742 -18.019 293 H ILE 40 H ILE 40 -4.678 11.469 -16.018 294 HA ILE 40 HA ILE 40 -7.356 10.435 -15.347 295 HB ILE 40 HB ILE 40 -7.093 13.171 -14.554 296 1HG1 ILE 40 2HG1 ILE 40 -4.990 11.289 -13.469 297 2HG1 ILE 40 3HG1 ILE 40 -4.718 12.808 -14.317 298 1HG2 ILE 40 1HG2 ILE 40 -7.359 10.750 -12.790 299 2HG2 ILE 40 2HG2 ILE 40 -7.964 12.380 -12.500 300 3HG2 ILE 40 3HG2 ILE 40 -8.686 11.383 -13.763 301 1HD1 ILE 40 1HD1 ILE 40 -6.259 13.600 -12.212 302 2HD1 ILE 40 2HD1 ILE 40 -5.294 12.303 -11.506 303 3HD1 ILE 40 3HD1 ILE 40 -4.498 13.674 -12.278 304 H PHE 41 H PHE 41 -8.866 10.867 -16.804 305 HA PHE 41 HA PHE 41 -8.551 13.244 -18.510 306 1HB PHE 41 2HB PHE 41 -9.820 11.654 -20.228 307 2HB PHE 41 3HB PHE 41 -8.063 11.679 -20.110 308 HD1 PHE 41 HD1 PHE 41 -6.854 9.782 -19.387 309 HD2 PHE 41 HD2 PHE 41 -11.102 9.834 -19.134 310 HE1 PHE 41 HE1 PHE 41 -6.851 7.369 -18.906 311 HE2 PHE 41 HE2 PHE 41 -11.106 7.421 -18.652 312 HZ PHE 41 HZ PHE 41 -8.979 6.186 -18.537 313 H LEU 42 H LEU 42 -10.463 14.257 -19.181 314 HA LEU 42 HA LEU 42 -12.812 13.553 -17.559 315 1HB LEU 42 2HB LEU 42 -11.927 15.768 -17.139 316 2HB LEU 42 3HB LEU 42 -12.020 16.157 -18.855 317 HG LEU 42 HG LEU 42 -13.811 17.102 -17.261 318 1HD1 LEU 42 1HD1 LEU 42 -15.066 15.679 -19.548 319 2HD1 LEU 42 2HD1 LEU 42 -13.758 16.814 -19.881 320 3HD1 LEU 42 3HD1 LEU 42 -15.210 17.363 -19.044 321 1HD2 LEU 42 1HD2 LEU 42 -15.431 15.762 -16.421 322 2HD2 LEU 42 2HD2 LEU 42 -14.133 14.569 -16.466 323 3HD2 LEU 42 3HD2 LEU 42 -15.333 14.616 -17.759 324 H VAL 43 H VAL 43 -14.559 12.771 -18.529 325 HA VAL 43 HA VAL 43 -14.748 12.981 -21.456 326 HB VAL 43 HB VAL 43 -15.712 10.924 -21.549 327 1HG1 VAL 43 1HG1 VAL 43 -14.415 9.467 -20.364 328 2HG1 VAL 43 2HG1 VAL 43 -13.521 10.959 -20.065 329 3HG1 VAL 43 3HG1 VAL 43 -14.632 10.336 -18.845 330 1HG2 VAL 43 1HG2 VAL 43 -17.721 11.361 -20.384 331 2HG2 VAL 43 2HG2 VAL 43 -17.018 9.938 -19.616 332 3HG2 VAL 43 3HG2 VAL 43 -16.881 11.516 -18.841 333 H ASP 44 H ASP 44 -16.539 13.801 -22.437 334 HA ASP 44 HA ASP 44 -18.774 14.661 -20.736 335 1HB ASP 44 2HB ASP 44 -18.857 16.800 -22.048 336 2HB ASP 44 3HB ASP 44 -17.450 16.645 -21.000 337 H LEU 45 H LEU 45 -20.349 13.367 -21.479 338 HA LEU 45 HA LEU 45 -21.217 13.712 -24.221 339 1HB LEU 45 2HB LEU 45 -19.642 11.505 -23.544 340 2HB LEU 45 3HB LEU 45 -21.295 10.895 -23.607 341 HG LEU 45 HG LEU 45 -20.034 10.635 -25.731 342 1HD1 LEU 45 1HD1 LEU 45 -21.899 10.931 -26.989 343 2HD1 LEU 45 2HD1 LEU 45 -22.204 12.551 -26.361 344 3HD1 LEU 45 3HD1 LEU 45 -22.622 11.137 -25.394 345 1HD2 LEU 45 1HD2 LEU 45 -20.265 13.627 -25.968 346 2HD2 LEU 45 2HD2 LEU 45 -19.467 12.508 -27.074 347 3HD2 LEU 45 3HD2 LEU 45 -18.785 12.804 -25.474 348 H TYR 46 H TYR 46 -23.377 12.919 -24.594 349 HA TYR 46 HA TYR 46 -25.564 12.635 -24.039 350 1HB TYR 46 2HB TYR 46 -24.479 11.320 -21.540 351 2HB TYR 46 3HB TYR 46 -26.108 11.152 -22.185 352 HD1 TYR 46 HD1 TYR 46 -26.380 10.055 -24.469 353 HD2 TYR 46 HD2 TYR 46 -22.760 9.886 -22.239 354 HE1 TYR 46 HE1 TYR 46 -25.656 8.119 -25.802 355 HE2 TYR 46 HE2 TYR 46 -22.026 7.951 -23.567 356 HH TYR 46 HH TYR 46 -23.879 6.055 -25.234 357 H GLY 47 H GLY 47 -24.204 15.064 -23.294 358 1HA GLY 47 2HA GLY 47 -24.716 17.009 -22.184 359 2HA GLY 47 3HA GLY 47 -26.210 16.235 -21.677 360 H GLN 48 H GLN 48 -23.565 14.376 -20.791 361 HA GLN 48 HA GLN 48 -23.373 15.668 -18.157 362 1HB GLN 48 2HB GLN 48 -23.525 12.678 -18.509 363 2HB GLN 48 3HB GLN 48 -23.611 13.596 -17.011 364 1HG GLN 48 2HG GLN 48 -25.709 14.599 -18.477 365 2HG GLN 48 3HG GLN 48 -25.708 12.884 -18.889 366 1HE2 GLN 48 1HE2 GLN 48 -27.470 12.242 -17.780 367 2HE2 GLN 48 2HE2 GLN 48 -27.625 12.327 -16.061 368 H LYS 49 H LYS 49 -21.364 15.825 -17.354 369 HA LYS 49 HA LYS 49 -19.206 14.487 -18.844 370 1HB LYS 49 2HB LYS 49 -17.777 16.341 -17.807 371 2HB LYS 49 3HB LYS 49 -18.894 16.804 -19.084 372 1HG LYS 49 2HG LYS 49 -20.101 16.985 -16.454 373 2HG LYS 49 3HG LYS 49 -18.653 17.983 -16.603 374 1HD LYS 49 2HD LYS 49 -20.471 18.114 -18.903 375 2HD LYS 49 3HD LYS 49 -21.149 18.732 -17.395 376 1HE LYS 49 2HE LYS 49 -18.400 19.563 -18.196 377 2HE LYS 49 3HE LYS 49 -19.783 20.294 -19.010 378 1HZ LYS 49 1HZ LYS 49 -20.422 21.384 -17.148 379 2HZ LYS 49 2HZ LYS 49 -18.770 21.287 -16.800 380 3HZ LYS 49 3HZ LYS 49 -19.848 20.192 -16.093 381 H TYR 50 H TYR 50 -17.899 13.105 -17.816 382 HA TYR 50 HA TYR 50 -17.906 13.087 -14.875 383 1HB TYR 50 2HB TYR 50 -17.916 10.580 -16.558 384 2HB TYR 50 3HB TYR 50 -18.076 10.701 -14.810 385 HD1 TYR 50 HD1 TYR 50 -20.097 12.693 -14.381 386 HD2 TYR 50 HD2 TYR 50 -19.879 9.738 -17.434 387 HE1 TYR 50 HE1 TYR 50 -22.546 12.754 -14.606 388 HE2 TYR 50 HE2 TYR 50 -22.327 9.792 -17.669 389 HH TYR 50 HH TYR 50 -24.359 11.184 -15.418 390 H PHE 51 H PHE 51 -16.018 12.190 -13.895 391 HA PHE 51 HA PHE 51 -13.650 12.442 -15.609 392 1HB PHE 51 2HB PHE 51 -14.056 12.731 -12.636 393 2HB PHE 51 3HB PHE 51 -12.453 12.604 -13.353 394 HD1 PHE 51 HD1 PHE 51 -15.484 14.671 -13.124 395 HD2 PHE 51 HD2 PHE 51 -11.472 14.429 -14.524 396 HE1 PHE 51 HE1 PHE 51 -15.494 17.092 -13.559 397 HE2 PHE 51 HE2 PHE 51 -11.475 16.850 -14.961 398 HZ PHE 51 HZ PHE 51 -13.487 18.185 -14.478 399 H ARG 52 H ARG 52 -12.325 10.770 -15.985 400 HA ARG 52 HA ARG 52 -12.651 8.335 -14.367 401 1HB ARG 52 2HB ARG 52 -12.283 8.358 -17.366 402 2HB ARG 52 3HB ARG 52 -12.540 6.951 -16.342 403 1HG ARG 52 2HG ARG 52 -14.568 9.150 -16.542 404 2HG ARG 52 3HG ARG 52 -14.521 7.810 -17.689 405 1HD ARG 52 2HD ARG 52 -15.145 6.261 -16.112 406 2HD ARG 52 3HD ARG 52 -14.497 7.206 -14.773 407 HE ARG 52 HE ARG 52 -16.503 8.319 -14.618 408 1HH1 ARG 52 2HH1 ARG 52 -16.407 6.475 -17.569 409 2HH1 ARG 52 1HH1 ARG 52 -18.085 6.715 -17.927 410 1HH2 ARG 52 2HH2 ARG 52 -18.714 8.643 -15.079 411 2HH2 ARG 52 1HH2 ARG 52 -19.396 7.949 -16.510 412 H ILE 53 H ILE 53 -10.803 7.301 -13.816 413 HA ILE 53 HA ILE 53 -8.288 8.377 -14.918 414 HB ILE 53 HB ILE 53 -7.303 8.451 -12.866 415 1HG1 ILE 53 2HG1 ILE 53 -8.381 7.034 -10.910 416 2HG1 ILE 53 3HG1 ILE 53 -9.049 6.104 -12.247 417 1HG2 ILE 53 1HG2 ILE 53 -9.557 9.752 -12.939 418 2HG2 ILE 53 2HG2 ILE 53 -10.061 8.574 -11.727 419 3HG2 ILE 53 3HG2 ILE 53 -8.672 9.617 -11.420 420 1HD1 ILE 53 1HD1 ILE 53 -6.375 6.391 -12.892 421 2HD1 ILE 53 2HD1 ILE 53 -6.382 6.110 -11.151 422 3HD1 ILE 53 3HD1 ILE 53 -7.158 4.955 -12.234 423 H LEU 54 H LEU 54 -6.755 6.963 -15.589 424 HA LEU 54 HA LEU 54 -7.382 4.095 -15.324 425 1HB LEU 54 2HB LEU 54 -7.367 5.429 -17.635 426 2HB LEU 54 3HB LEU 54 -5.650 5.046 -17.533 427 HG LEU 54 HG LEU 54 -7.968 3.134 -17.707 428 1HD1 LEU 54 1HD1 LEU 54 -6.279 4.323 -19.614 429 2HD1 LEU 54 2HD1 LEU 54 -7.451 3.028 -19.858 430 3HD1 LEU 54 3HD1 LEU 54 -5.775 2.638 -19.472 431 1HD2 LEU 54 1HD2 LEU 54 -5.194 2.718 -16.720 432 2HD2 LEU 54 2HD2 LEU 54 -5.919 1.469 -17.733 433 3HD2 LEU 54 3HD2 LEU 54 -6.700 1.946 -16.224 434 H PHE 55 H PHE 55 -5.972 2.965 -14.177 435 HA PHE 55 HA PHE 55 -3.189 3.922 -14.027 436 1HB PHE 55 2HB PHE 55 -4.037 4.320 -11.873 437 2HB PHE 55 3HB PHE 55 -4.984 2.835 -11.874 438 HD1 PHE 55 HD1 PHE 55 -4.215 1.815 -9.910 439 HD2 PHE 55 HD2 PHE 55 -1.424 3.187 -12.816 440 HE1 PHE 55 HE1 PHE 55 -2.403 0.660 -8.711 441 HE2 PHE 55 HE2 PHE 55 0.392 2.033 -11.622 442 HZ PHE 55 HZ PHE 55 -0.096 0.767 -9.567 443 H GLN 56 H GLN 56 -1.800 2.559 -14.918 444 HA GLN 56 HA GLN 56 -2.287 -0.326 -14.683 445 1HB GLN 56 2HB GLN 56 -1.324 -0.507 -17.051 446 2HB GLN 56 3HB GLN 56 -2.985 0.049 -16.892 447 1HG GLN 56 2HG GLN 56 -2.284 2.341 -17.207 448 2HG GLN 56 3HG GLN 56 -0.595 1.839 -17.270 449 1HE2 GLN 56 1HE2 GLN 56 0.201 1.750 -19.232 450 2HE2 GLN 56 2HE2 GLN 56 -0.669 1.373 -20.676 451 H SER 57 H SER 57 -0.408 -1.638 -14.751 452 HA SER 57 HA SER 57 1.927 -0.305 -13.686 453 1HB SER 57 2HB SER 57 0.862 -2.602 -12.967 454 2HB SER 57 3HB SER 57 1.855 -3.241 -14.277 455 HG SER 57 HG SER 57 2.952 -1.551 -12.303 456 H LYS 58 H LYS 58 4.096 -1.493 -14.479 457 HA LYS 58 HA LYS 58 4.480 -0.571 -17.159 458 1HB LYS 58 2HB LYS 58 6.266 -0.283 -15.573 459 2HB LYS 58 3HB LYS 58 6.302 -2.007 -15.224 460 1HG LYS 58 2HG LYS 58 8.166 -1.439 -16.623 461 2HG LYS 58 3HG LYS 58 7.030 -2.428 -17.545 462 1HD LYS 58 2HD LYS 58 7.629 -0.714 -19.021 463 2HD LYS 58 3HD LYS 58 6.067 -0.202 -18.378 464 1HE LYS 58 2HE LYS 58 7.151 1.299 -16.830 465 2HE LYS 58 3HE LYS 58 8.739 0.713 -17.320 466 1HZ LYS 58 1HZ LYS 58 6.831 2.081 -19.136 467 2HZ LYS 58 2HZ LYS 58 8.425 1.641 -19.488 468 3HZ LYS 58 3HZ LYS 58 8.114 2.851 -18.348 469 H LYS 59 H LYS 59 4.748 -3.774 -15.618 470 HA LYS 59 HA LYS 59 4.963 -5.088 -18.180 471 1HB LYS 59 2HB LYS 59 4.498 -6.462 -15.543 472 2HB LYS 59 3HB LYS 59 5.313 -7.084 -16.972 473 1HG LYS 59 2HG LYS 59 6.325 -4.974 -15.081 474 2HG LYS 59 3HG LYS 59 6.946 -6.614 -15.289 475 1HD LYS 59 2HD LYS 59 6.990 -4.412 -17.353 476 2HD LYS 59 3HD LYS 59 8.373 -5.003 -16.428 477 1HE LYS 59 2HE LYS 59 7.689 -7.311 -17.449 478 2HE LYS 59 3HE LYS 59 6.868 -6.315 -18.650 479 1HZ LYS 59 1HZ LYS 59 9.696 -5.826 -17.970 480 2HZ LYS 59 2HZ LYS 59 8.856 -5.413 -19.378 481 3HZ LYS 59 3HZ LYS 59 9.276 -7.026 -19.086 482 H LEU 60 H LEU 60 2.495 -4.482 -15.777 483 HA LEU 60 HA LEU 60 0.328 -5.310 -15.604 484 1HB LEU 60 2HB LEU 60 -0.928 -4.553 -17.729 485 2HB LEU 60 3HB LEU 60 -0.142 -3.346 -16.714 486 HG LEU 60 HG LEU 60 1.836 -3.667 -18.415 487 1HD1 LEU 60 1HD1 LEU 60 0.930 -4.039 -20.705 488 2HD1 LEU 60 2HD1 LEU 60 -0.571 -4.599 -19.967 489 3HD1 LEU 60 3HD1 LEU 60 0.931 -5.478 -19.685 490 1HD2 LEU 60 1HD2 LEU 60 -0.158 -2.131 -19.813 491 2HD2 LEU 60 2HD2 LEU 60 1.279 -1.584 -18.948 492 3HD2 LEU 60 3HD2 LEU 60 -0.236 -1.827 -18.077 493 H SER 61 H SER 61 1.707 -7.538 -16.002 494 HA SER 61 HA SER 61 0.894 -8.936 -18.383 495 1HB SER 61 2HB SER 61 2.561 -9.536 -16.001 496 2HB SER 61 3HB SER 61 1.801 -10.915 -16.795 497 HG SER 61 HG SER 61 2.718 -9.740 -18.789 498 H GLU 62 H GLU 62 -0.527 -10.703 -18.500 499 HA GLU 62 HA GLU 62 -2.865 -10.449 -16.892 500 1HB GLU 62 2HB GLU 62 -3.060 -11.087 -19.219 501 2HB GLU 62 3HB GLU 62 -2.071 -12.515 -18.948 502 1HG GLU 62 2HG GLU 62 -3.777 -13.704 -18.107 503 2HG GLU 62 3HG GLU 62 -4.464 -12.319 -17.260 504 H LEU 63 H LEU 63 -0.054 -12.488 -16.809 505 HA LEU 63 HA LEU 63 -0.980 -14.656 -15.341 506 1HB LEU 63 2HB LEU 63 1.652 -13.306 -15.647 507 2HB LEU 63 3HB LEU 63 1.472 -14.495 -14.359 508 HG LEU 63 HG LEU 63 2.468 -15.410 -16.436 509 1HD1 LEU 63 1HD1 LEU 63 0.208 -16.445 -14.963 510 2HD1 LEU 63 2HD1 LEU 63 1.663 -17.269 -15.524 511 3HD1 LEU 63 3HD1 LEU 63 0.274 -17.103 -16.598 512 1HD2 LEU 63 1HD2 LEU 63 0.994 -13.928 -17.912 513 2HD2 LEU 63 2HD2 LEU 63 -0.253 -15.154 -17.678 514 3HD2 LEU 63 3HD2 LEU 63 1.278 -15.586 -18.442 515 H HIS 64 H HIS 64 0.004 -15.021 -12.986 516 HA HIS 64 HA HIS 64 -0.215 -14.601 -10.761 517 1HB HIS 64 2HB HIS 64 0.550 -12.002 -11.917 518 2HB HIS 64 3HB HIS 64 -0.244 -11.904 -10.349 519 HD1 HIS 64 HD1 HIS 64 2.998 -12.078 -11.700 520 HD2 HIS 64 HD2 HIS 64 1.119 -13.943 -8.498 521 HE1 HIS 64 HE1 HIS 64 4.854 -12.872 -10.200 522 HA PRO 65 HA PRO 65 -4.728 -13.772 -11.407 523 1HB PRO 65 2HB PRO 65 -5.553 -16.067 -10.214 524 2HB PRO 65 3HB PRO 65 -5.118 -15.976 -11.925 525 1HG PRO 65 2HG PRO 65 -3.491 -16.944 -9.606 526 2HG PRO 65 3HG PRO 65 -3.661 -17.648 -11.224 527 1HD PRO 65 2HD PRO 65 -1.520 -16.157 -10.503 528 2HD PRO 65 3HD PRO 65 -2.155 -16.176 -12.160 529 H GLU 66 H GLU 66 -2.840 -14.823 -8.633 530 HA GLU 66 HA GLU 66 -4.799 -14.137 -6.674 531 1HB GLU 66 2HB GLU 66 -2.225 -15.360 -6.713 532 2HB GLU 66 3HB GLU 66 -2.177 -14.033 -5.561 533 1HG GLU 66 2HG GLU 66 -4.508 -15.170 -4.860 534 2HG GLU 66 3HG GLU 66 -3.639 -16.584 -5.455 535 H GLU 67 H GLU 67 -2.309 -12.406 -8.367 536 HA GLU 67 HA GLU 67 -2.058 -10.217 -6.588 537 1HB GLU 67 2HB GLU 67 -1.473 -10.539 -9.527 538 2HB GLU 67 3HB GLU 67 -1.182 -9.032 -8.670 539 1HG GLU 67 2HG GLU 67 -0.021 -11.594 -7.664 540 2HG GLU 67 3HG GLU 67 0.752 -10.710 -8.978 541 H ARG 68 H ARG 68 -4.313 -11.002 -9.133 542 HA ARG 68 HA ARG 68 -5.398 -8.537 -9.732 543 1HB ARG 68 2HB ARG 68 -6.234 -11.314 -9.932 544 2HB ARG 68 3HB ARG 68 -7.597 -10.243 -9.635 545 1HG ARG 68 2HG ARG 68 -7.538 -10.228 -11.916 546 2HG ARG 68 3HG ARG 68 -6.511 -8.838 -11.562 547 1HD ARG 68 2HD ARG 68 -4.538 -10.378 -11.710 548 2HD ARG 68 3HD ARG 68 -5.639 -11.628 -12.287 549 HE ARG 68 HE ARG 68 -4.608 -9.415 -13.781 550 1HH1 ARG 68 2HH1 ARG 68 -7.288 -11.615 -13.465 551 2HH1 ARG 68 1HH1 ARG 68 -7.769 -11.473 -15.123 552 1HH2 ARG 68 2HH2 ARG 68 -5.231 -9.220 -15.966 553 2HH2 ARG 68 1HH2 ARG 68 -6.598 -10.112 -16.545 554 H LYS 69 H LYS 69 -6.541 -10.790 -7.212 555 HA LYS 69 HA LYS 69 -8.430 -9.007 -6.110 556 1HB LYS 69 2HB LYS 69 -8.295 -10.558 -4.106 557 2HB LYS 69 3HB LYS 69 -8.717 -11.310 -5.639 558 1HG LYS 69 2HG LYS 69 -6.513 -12.195 -5.892 559 2HG LYS 69 3HG LYS 69 -5.934 -11.284 -4.495 560 1HD LYS 69 2HD LYS 69 -6.316 -13.619 -3.909 561 2HD LYS 69 3HD LYS 69 -7.438 -12.566 -3.043 562 1HE LYS 69 2HE LYS 69 -9.209 -13.112 -4.586 563 2HE LYS 69 3HE LYS 69 -8.098 -14.046 -5.587 564 1HZ LYS 69 1HZ LYS 69 -8.193 -15.797 -4.207 565 2HZ LYS 69 2HZ LYS 69 -9.655 -15.111 -3.704 566 3HZ LYS 69 3HZ LYS 69 -8.245 -14.851 -2.806 567 H LYS 70 H LYS 70 -5.023 -9.552 -5.494 568 HA LYS 70 HA LYS 70 -4.790 -8.189 -3.056 569 1HB LYS 70 2HB LYS 70 -3.006 -9.599 -3.944 570 2HB LYS 70 3HB LYS 70 -2.772 -8.489 -5.288 571 1HG LYS 70 2HG LYS 70 -1.737 -6.907 -3.981 572 2HG LYS 70 3HG LYS 70 -2.502 -7.479 -2.497 573 1HD LYS 70 2HD LYS 70 -0.593 -9.253 -3.961 574 2HD LYS 70 3HD LYS 70 0.028 -7.957 -2.936 575 1HE LYS 70 2HE LYS 70 -0.852 -8.892 -1.004 576 2HE LYS 70 3HE LYS 70 -2.041 -9.847 -1.888 577 1HZ LYS 70 1HZ LYS 70 -0.643 -11.542 -1.854 578 2HZ LYS 70 2HZ LYS 70 0.506 -10.621 -1.022 579 3HZ LYS 70 3HZ LYS 70 0.507 -10.647 -2.714 580 H VAL 71 H VAL 71 -4.238 -7.005 -6.373 581 HA VAL 71 HA VAL 71 -3.800 -4.313 -5.587 582 HB VAL 71 HB VAL 71 -4.042 -3.763 -7.968 583 1HG1 VAL 71 1HG1 VAL 71 -2.060 -5.207 -6.811 584 2HG1 VAL 71 2HG1 VAL 71 -2.486 -6.245 -8.173 585 3HG1 VAL 71 3HG1 VAL 71 -2.003 -4.573 -8.456 586 1HG2 VAL 71 1HG2 VAL 71 -5.889 -5.273 -8.497 587 2HG2 VAL 71 2HG2 VAL 71 -4.537 -5.510 -9.604 588 3HG2 VAL 71 3HG2 VAL 71 -4.818 -6.660 -8.297 589 H ARG 72 H ARG 72 -6.645 -6.155 -6.464 590 HA ARG 72 HA ARG 72 -8.422 -4.052 -6.961 591 1HB ARG 72 2HB ARG 72 -8.759 -6.880 -6.025 592 2HB ARG 72 3HB ARG 72 -10.147 -5.801 -6.071 593 1HG ARG 72 2HG ARG 72 -8.384 -6.265 -8.457 594 2HG ARG 72 3HG ARG 72 -9.785 -7.274 -8.091 595 1HD ARG 72 2HD ARG 72 -9.796 -4.295 -8.564 596 2HD ARG 72 3HD ARG 72 -10.371 -5.531 -9.682 597 HE ARG 72 HE ARG 72 -11.758 -5.847 -7.289 598 1HH1 ARG 72 2HH1 ARG 72 -11.431 -3.495 -9.834 599 2HH1 ARG 72 1HH1 ARG 72 -13.037 -2.872 -9.642 600 1HH2 ARG 72 2HH2 ARG 72 -13.874 -5.036 -7.027 601 2HH2 ARG 72 1HH2 ARG 72 -14.425 -3.749 -8.045 602 H GLU 73 H GLU 73 -7.836 -5.839 -3.933 603 HA GLU 73 HA GLU 73 -9.542 -4.179 -2.377 604 1HB GLU 73 2HB GLU 73 -8.484 -5.306 -0.437 605 2HB GLU 73 3HB GLU 73 -9.072 -6.434 -1.651 606 1HG GLU 73 2HG GLU 73 -7.027 -7.329 -1.138 607 2HG GLU 73 3HG GLU 73 -6.634 -6.336 -2.540 608 H LYS 74 H LYS 74 -6.127 -4.133 -3.161 609 HA LYS 74 HA LYS 74 -5.242 -2.315 -1.225 610 1HB LYS 74 2HB LYS 74 -4.008 -3.728 -3.143 611 2HB LYS 74 3HB LYS 74 -4.051 -2.161 -3.942 612 1HG LYS 74 2HG LYS 74 -2.806 -2.795 -1.276 613 2HG LYS 74 3HG LYS 74 -1.966 -2.409 -2.780 614 1HD LYS 74 2HD LYS 74 -3.829 -0.550 -1.302 615 2HD LYS 74 3HD LYS 74 -2.066 -0.494 -1.224 616 1HE LYS 74 2HE LYS 74 -2.429 -0.436 -3.893 617 2HE LYS 74 3HE LYS 74 -3.905 0.369 -3.365 618 1HZ LYS 74 1HZ LYS 74 -2.034 1.901 -3.774 619 2HZ LYS 74 2HZ LYS 74 -1.175 1.166 -2.516 620 3HZ LYS 74 3HZ LYS 74 -2.619 1.986 -2.189 621 H PHE 75 H PHE 75 -6.245 -1.695 -4.590 622 HA PHE 75 HA PHE 75 -6.143 1.138 -4.290 623 1HB PHE 75 2HB PHE 75 -6.511 1.198 -6.522 624 2HB PHE 75 3HB PHE 75 -6.196 -0.532 -6.435 625 HD1 PHE 75 HD1 PHE 75 -8.787 2.043 -6.733 626 HD2 PHE 75 HD2 PHE 75 -7.960 -2.132 -6.707 627 HE1 PHE 75 HE1 PHE 75 -11.032 1.595 -7.635 628 HE2 PHE 75 HE2 PHE 75 -10.203 -2.586 -7.609 629 HZ PHE 75 HZ PHE 75 -11.742 -0.721 -8.075 630 H ASP 76 H ASP 76 -8.642 -1.296 -3.972 631 HA ASP 76 HA ASP 76 -10.875 0.425 -3.947 632 1HB ASP 76 2HB ASP 76 -11.318 -1.876 -4.255 633 2HB ASP 76 3HB ASP 76 -10.393 -2.329 -2.826 634 H GLU 77 H GLU 77 -8.949 -0.946 -1.288 635 HA GLU 77 HA GLU 77 -10.383 0.418 0.754 636 1HB GLU 77 2HB GLU 77 -7.713 -0.978 0.699 637 2HB GLU 77 3HB GLU 77 -8.335 -0.203 2.149 638 1HG GLU 77 2HG GLU 77 -10.017 -2.200 0.710 639 2HG GLU 77 3HG GLU 77 -8.705 -2.745 1.754 640 H ASN 78 H ASN 78 -7.333 1.046 -0.933 641 HA ASN 78 HA ASN 78 -6.494 3.260 0.543 642 1HB ASN 78 2HB ASN 78 -5.068 2.100 -1.094 643 2HB ASN 78 3HB ASN 78 -6.072 2.714 -2.404 644 1HD2 ASN 78 1HD2 ASN 78 -5.011 4.223 -3.453 645 2HD2 ASN 78 2HD2 ASN 78 -4.079 5.494 -2.745 646 H SER 79 H SER 79 -8.731 3.018 -2.168 647 HA SER 79 HA SER 79 -9.037 5.856 -2.456 648 1HB SER 79 2HB SER 79 -9.450 4.635 -4.430 649 2HB SER 79 3HB SER 79 -10.475 3.467 -3.596 650 HG SER 79 HG SER 79 -12.012 4.704 -4.343 651 H ARG 80 H ARG 80 -10.891 3.250 -0.946 652 HA ARG 80 HA ARG 80 -13.033 4.964 -0.124 653 1HB ARG 80 2HB ARG 80 -14.023 3.071 0.769 654 2HB ARG 80 3HB ARG 80 -13.022 2.382 -0.503 655 1HG ARG 80 2HG ARG 80 -12.341 0.987 1.106 656 2HG ARG 80 3HG ARG 80 -11.303 2.330 1.590 657 1HD ARG 80 2HD ARG 80 -12.593 2.855 3.400 658 2HD ARG 80 3HD ARG 80 -14.076 2.269 2.648 659 HE ARG 80 HE ARG 80 -12.321 0.115 3.171 660 1HH1 ARG 80 2HH1 ARG 80 -14.462 2.351 4.765 661 2HH1 ARG 80 1HH1 ARG 80 -14.812 1.280 6.081 662 1HH2 ARG 80 2HH2 ARG 80 -12.774 -1.304 4.899 663 2HH2 ARG 80 1HH2 ARG 80 -13.851 -0.798 6.157 664 H MET 81 H MET 81 -9.899 4.557 0.957 665 HA MET 81 HA MET 81 -9.871 4.485 3.661 666 1HB MET 81 2HB MET 81 -8.269 6.001 1.665 667 2HB MET 81 3HB MET 81 -8.075 6.439 3.357 668 1HG MET 81 2HG MET 81 -7.969 3.561 2.810 669 2HG MET 81 3HG MET 81 -6.671 4.507 2.086 670 1HE MET 81 1HE MET 81 -8.434 3.330 5.308 671 2HE MET 81 2HE MET 81 -7.126 2.250 4.824 672 3HE MET 81 3HE MET 81 -7.017 3.144 6.342 673 H GLN 82 H GLN 82 -10.296 5.825 5.374 674 HA GLN 82 HA GLN 82 -12.404 7.616 5.211 675 1HB GLN 82 2HB GLN 82 -10.228 7.515 7.307 676 2HB GLN 82 3HB GLN 82 -11.783 8.316 7.489 677 1HG GLN 82 2HG GLN 82 -11.594 5.391 6.875 678 2HG GLN 82 3HG GLN 82 -11.484 6.000 8.525 679 1HE2 GLN 82 1HE2 GLN 82 -13.533 5.675 5.719 680 2HE2 GLN 82 2HE2 GLN 82 -15.029 5.955 6.535 681 H TYR 83 H TYR 83 -12.508 9.907 5.478 682 HA TYR 83 HA TYR 83 -10.829 11.341 3.752 683 1HB TYR 83 2HB TYR 83 -13.180 11.850 5.275 684 2HB TYR 83 3HB TYR 83 -12.035 13.144 5.605 685 HD1 TYR 83 HD1 TYR 83 -14.639 12.180 3.526 686 HD2 TYR 83 HD2 TYR 83 -10.810 14.029 3.370 687 HE1 TYR 83 HE1 TYR 83 -15.251 13.253 1.399 688 HE2 TYR 83 HE2 TYR 83 -11.412 15.109 1.243 689 HH TYR 83 HH TYR 83 -13.984 15.752 0.169 690 H SER 84 H SER 84 -10.756 10.887 7.234 691 HA SER 84 HA SER 84 -8.983 12.876 7.985 692 1HB SER 84 2HB SER 84 -8.839 10.109 9.163 693 2HB SER 84 3HB SER 84 -8.632 11.663 9.971 694 HG SER 84 HG SER 84 -10.877 12.039 9.586 695 H GLU 85 H GLU 85 -8.212 9.548 6.975 696 HA GLU 85 HA GLU 85 -5.390 10.020 6.995 697 1HB GLU 85 2HB GLU 85 -6.793 7.779 7.187 698 2HB GLU 85 3HB GLU 85 -6.585 7.771 5.441 699 1HG GLU 85 2HG GLU 85 -4.810 6.500 6.230 700 2HG GLU 85 3HG GLU 85 -4.095 8.080 5.914 701 H LEU 86 H LEU 86 -7.935 10.175 4.606 702 HA LEU 86 HA LEU 86 -6.351 10.176 2.284 703 1HB LEU 86 2HB LEU 86 -9.033 10.292 2.842 704 2HB LEU 86 3HB LEU 86 -8.713 11.894 2.180 705 HG LEU 86 HG LEU 86 -9.498 10.384 0.449 706 1HD1 LEU 86 1HD1 LEU 86 -6.645 11.293 0.307 707 2HD1 LEU 86 2HD1 LEU 86 -8.079 12.024 -0.411 708 3HD1 LEU 86 3HD1 LEU 86 -7.437 10.517 -1.065 709 1HD2 LEU 86 1HD2 LEU 86 -7.201 8.693 0.183 710 2HD2 LEU 86 2HD2 LEU 86 -8.900 8.250 0.353 711 3HD2 LEU 86 3HD2 LEU 86 -7.905 8.495 1.789 712 H MET 87 H MET 87 -7.410 12.792 4.414 713 HA MET 87 HA MET 87 -6.122 14.811 2.796 714 1HB MET 87 2HB MET 87 -8.020 14.751 4.975 715 2HB MET 87 3HB MET 87 -6.735 15.906 5.304 716 1HG MET 87 2HG MET 87 -8.640 16.943 4.186 717 2HG MET 87 3HG MET 87 -7.172 17.040 3.217 718 1HE MET 87 1HE MET 87 -7.308 15.473 0.369 719 2HE MET 87 2HE MET 87 -8.565 16.687 0.129 720 3HE MET 87 3HE MET 87 -7.198 17.030 1.191 721 H THR 88 H THR 88 -5.390 12.884 5.595 722 HA THR 88 HA THR 88 -3.219 14.473 6.545 723 HB THR 88 HB THR 88 -3.949 11.586 7.052 724 HG1 THR 88 HG1 THR 88 -4.408 12.621 9.179 725 1HG2 THR 88 1HG2 THR 88 -1.802 13.275 8.339 726 2HG2 THR 88 2HG2 THR 88 -1.558 11.827 7.362 727 3HG2 THR 88 3HG2 THR 88 -2.347 11.708 8.935 728 H LYS 89 H LYS 89 -3.401 11.472 4.641 729 HA LYS 89 HA LYS 89 -0.594 11.266 4.254 730 1HB LYS 89 2HB LYS 89 -2.830 9.668 3.742 731 2HB LYS 89 3HB LYS 89 -2.151 10.009 2.156 732 1HG LYS 89 2HG LYS 89 -0.972 8.140 2.668 733 2HG LYS 89 3HG LYS 89 0.100 9.350 3.377 734 1HD LYS 89 2HD LYS 89 -2.079 8.216 5.062 735 2HD LYS 89 3HD LYS 89 -0.660 7.218 4.736 736 1HE LYS 89 2HE LYS 89 0.795 8.873 5.679 737 2HE LYS 89 3HE LYS 89 -0.531 10.024 5.827 738 1HZ LYS 89 1HZ LYS 89 -1.534 8.708 7.505 739 2HZ LYS 89 2HZ LYS 89 0.097 8.868 7.926 740 3HZ LYS 89 3HZ LYS 89 -0.464 7.423 7.249 741 H TYR 90 H TYR 90 -2.822 13.412 3.019 742 HA TYR 90 HA TYR 90 -1.348 13.788 0.507 743 1HB TYR 90 2HB TYR 90 -3.666 13.648 0.064 744 2HB TYR 90 3HB TYR 90 -4.074 14.679 1.432 745 HD1 TYR 90 HD1 TYR 90 -1.522 15.249 -1.216 746 HD2 TYR 90 HD2 TYR 90 -5.245 16.451 0.457 747 HE1 TYR 90 HE1 TYR 90 -1.554 17.205 -2.707 748 HE2 TYR 90 HE2 TYR 90 -5.288 18.409 -1.031 749 HH TYR 90 HH TYR 90 -2.596 19.468 -2.753 750 H HIS 91 H HIS 91 -2.494 15.532 3.369 751 HA HIS 91 HA HIS 91 -0.918 17.872 2.627 752 1HB HIS 91 2HB HIS 91 -3.344 17.739 3.757 753 2HB HIS 91 3HB HIS 91 -2.365 17.764 5.221 754 HD1 HIS 91 HD1 HIS 91 -2.991 20.111 5.949 755 HD2 HIS 91 HD2 HIS 91 -1.454 19.953 2.093 756 HE1 HIS 91 HE1 HIS 91 -2.599 22.504 5.284 757 H ASP 92 H ASP 92 -1.269 15.748 5.471 758 HA ASP 92 HA ASP 92 0.973 16.706 6.852 759 1HB ASP 92 2HB ASP 92 -0.996 14.733 7.254 760 2HB ASP 92 3HB ASP 92 0.553 13.904 7.379 761 H LEU 93 H LEU 93 0.809 14.919 4.005 762 HA LEU 93 HA LEU 93 3.379 13.599 4.386 763 1HB LEU 93 2HB LEU 93 1.106 13.324 2.573 764 2HB LEU 93 3HB LEU 93 2.668 13.200 1.765 765 HG LEU 93 HG LEU 93 1.525 11.045 2.577 766 1HD1 LEU 93 1HD1 LEU 93 3.983 10.478 3.643 767 2HD1 LEU 93 2HD1 LEU 93 4.316 11.887 2.635 768 3HD1 LEU 93 3HD1 LEU 93 3.576 10.451 1.927 769 1HD2 LEU 93 1HD2 LEU 93 1.646 10.456 4.817 770 2HD2 LEU 93 2HD2 LEU 93 1.143 12.145 4.884 771 3HD2 LEU 93 3HD2 LEU 93 2.826 11.712 5.189 772 H LYS 94 H LYS 94 2.312 16.598 3.471 773 HA LYS 94 HA LYS 94 3.748 17.306 1.221 774 1HB LYS 94 2HB LYS 94 3.226 19.457 1.750 775 2HB LYS 94 3HB LYS 94 2.155 18.658 2.894 776 1HG LYS 94 2HG LYS 94 4.866 19.149 3.897 777 2HG LYS 94 3HG LYS 94 3.932 20.601 3.532 778 1HD LYS 94 2HD LYS 94 3.337 20.208 5.726 779 2HD LYS 94 3HD LYS 94 2.045 19.376 4.857 780 1HE LYS 94 2HE LYS 94 3.007 17.262 5.249 781 2HE LYS 94 3HE LYS 94 4.547 17.965 5.742 782 1HZ LYS 94 1HZ LYS 94 2.889 17.091 7.515 783 2HZ LYS 94 2HZ LYS 94 2.122 18.581 7.285 784 3HZ LYS 94 3HZ LYS 94 3.734 18.530 7.796 785 H LYS 95 H LYS 95 4.908 16.517 4.365 786 HA LYS 95 HA LYS 95 7.300 17.868 4.550 787 1HB LYS 95 2HB LYS 95 6.341 16.320 6.264 788 2HB LYS 95 3HB LYS 95 6.880 14.965 5.282 789 1HG LYS 95 2HG LYS 95 8.609 15.108 6.757 790 2HG LYS 95 3HG LYS 95 9.208 16.171 5.481 791 1HD LYS 95 2HD LYS 95 7.557 17.337 7.673 792 2HD LYS 95 3HD LYS 95 9.242 16.926 8.001 793 1HE LYS 95 2HE LYS 95 9.673 18.234 5.773 794 2HE LYS 95 3HE LYS 95 8.106 18.958 6.132 795 1HZ LYS 95 1HZ LYS 95 10.088 18.866 8.280 796 2HZ LYS 95 2HZ LYS 95 8.913 20.035 7.945 797 3HZ LYS 95 3HZ LYS 95 10.337 19.983 7.033 798 H GLN 96 H GLN 96 6.969 14.565 3.234 799 HA GLN 96 HA GLN 96 9.195 15.180 1.408 800 1HB GLN 96 2HB GLN 96 8.689 12.455 2.593 801 2HB GLN 96 3HB GLN 96 10.105 13.001 1.704 802 1HG GLN 96 2HG GLN 96 10.725 14.462 3.531 803 2HG GLN 96 3HG GLN 96 9.270 14.005 4.415 804 1HE2 GLN 96 1HE2 GLN 96 12.505 13.267 3.757 805 2HE2 GLN 96 2HE2 GLN 96 12.595 11.773 4.620 806 H GLY 97 H GLY 97 6.305 15.349 0.974 807 1HA GLY 97 2HA GLY 97 5.958 13.189 -1.009 808 2HA GLY 97 3HA GLY 97 4.636 14.042 -0.226 809 H LYS 98 H LYS 98 6.157 13.718 -3.070 810 HA LYS 98 HA LYS 98 5.843 16.539 -3.837 811 1HB LYS 98 2HB LYS 98 7.504 14.288 -4.887 812 2HB LYS 98 3HB LYS 98 7.012 15.562 -5.995 813 1HG LYS 98 2HG LYS 98 8.470 16.044 -3.407 814 2HG LYS 98 3HG LYS 98 9.253 15.897 -4.983 815 1HD LYS 98 2HD LYS 98 8.790 18.019 -5.473 816 2HD LYS 98 3HD LYS 98 7.078 17.778 -5.114 817 1HE LYS 98 2HE LYS 98 7.741 17.983 -2.660 818 2HE LYS 98 3HE LYS 98 9.287 18.595 -3.246 819 1HZ LYS 98 1HZ LYS 98 6.824 19.956 -2.988 820 2HZ LYS 98 2HZ LYS 98 7.321 19.992 -4.604 821 3HZ LYS 98 3HZ LYS 98 8.344 20.579 -3.391 822 H ILE 99 H ILE 99 3.716 16.777 -4.311 823 HA ILE 99 HA ILE 99 2.502 14.863 -6.185 824 HB ILE 99 HB ILE 99 1.182 15.063 -4.206 825 1HG1 ILE 99 2HG1 ILE 99 -0.082 16.786 -6.348 826 2HG1 ILE 99 3HG1 ILE 99 -0.029 15.026 -6.374 827 1HG2 ILE 99 1HG2 ILE 99 2.068 17.133 -3.330 828 2HG2 ILE 99 2HG2 ILE 99 1.304 18.045 -4.631 829 3HG2 ILE 99 3HG2 ILE 99 0.310 17.234 -3.421 830 1HD1 ILE 99 1HD1 ILE 99 -2.126 15.402 -5.548 831 2HD1 ILE 99 2HD1 ILE 99 -1.203 15.262 -4.052 832 3HD1 ILE 99 3HD1 ILE 99 -1.642 16.853 -4.671 833 H LYS 100 H LYS 100 1.760 15.499 -8.143 834 HA LYS 100 HA LYS 100 1.983 18.357 -8.820 835 1HB LYS 100 2HB LYS 100 2.695 16.036 -10.622 836 2HB LYS 100 3HB LYS 100 2.806 17.742 -11.033 837 1HG LYS 100 2HG LYS 100 4.310 16.727 -8.673 838 2HG LYS 100 3HG LYS 100 4.922 16.396 -10.295 839 1HD LYS 100 2HD LYS 100 5.946 18.392 -9.998 840 2HD LYS 100 3HD LYS 100 4.387 19.017 -10.540 841 1HE LYS 100 2HE LYS 100 3.740 19.618 -8.400 842 2HE LYS 100 3HE LYS 100 4.853 18.485 -7.635 843 1HZ LYS 100 1HZ LYS 100 6.687 19.925 -8.494 844 2HZ LYS 100 2HZ LYS 100 5.718 20.645 -7.310 845 3HZ LYS 100 3HZ LYS 100 5.517 21.064 -8.936 846 H ASP 101 H ASP 101 0.397 19.217 -10.102 847 HA ASP 101 HA ASP 101 -1.920 17.479 -10.594 848 1HB ASP 101 2HB ASP 101 -2.367 19.386 -9.137 849 2HB ASP 101 3HB ASP 101 -1.751 20.491 -10.362 850 H ARG 102 H ARG 102 -1.328 16.612 -12.577 851 HA ARG 102 HA ARG 102 -0.495 18.279 -14.761 852 1HB ARG 102 2HB ARG 102 -1.056 15.378 -14.370 853 2HB ARG 102 3HB ARG 102 -1.091 16.010 -16.011 854 1HG ARG 102 2HG ARG 102 1.090 15.125 -15.541 855 2HG ARG 102 3HG ARG 102 1.195 16.880 -15.691 856 1HD ARG 102 2HD ARG 102 0.781 15.676 -12.995 857 2HD ARG 102 3HD ARG 102 2.387 15.615 -13.721 858 HE ARG 102 HE ARG 102 1.130 17.884 -12.567 859 1HH1 ARG 102 2HH1 ARG 102 3.258 16.912 -15.145 860 2HH1 ARG 102 1HH1 ARG 102 4.070 18.440 -15.227 861 1HH2 ARG 102 2HH2 ARG 102 2.191 19.901 -12.666 862 2HH2 ARG 102 1HH2 ARG 102 3.462 20.140 -13.816 863 HA PRO 103 HA PRO 103 -4.351 19.370 -16.546 864 1HB PRO 103 2HB PRO 103 -3.840 19.139 -19.203 865 2HB PRO 103 3HB PRO 103 -3.169 20.435 -18.204 866 1HG PRO 103 2HG PRO 103 -1.889 17.885 -19.110 867 2HG PRO 103 3HG PRO 103 -1.207 19.521 -19.055 868 1HD PRO 103 2HD PRO 103 -0.679 17.657 -17.163 869 2HD PRO 103 3HD PRO 103 -0.758 19.393 -16.798 870 H VAL 104 H VAL 104 -6.242 18.367 -16.863 871 HA VAL 104 HA VAL 104 -6.371 15.541 -17.163 872 HB VAL 104 HB VAL 104 -8.045 16.902 -15.901 873 1HG1 VAL 104 1HG1 VAL 104 -9.386 17.506 -18.501 874 2HG1 VAL 104 2HG1 VAL 104 -9.600 18.268 -16.924 875 3HG1 VAL 104 3HG1 VAL 104 -8.151 18.598 -17.874 876 1HG2 VAL 104 1HG2 VAL 104 -9.099 15.118 -18.092 877 2HG2 VAL 104 2HG2 VAL 104 -8.545 14.612 -16.496 878 3HG2 VAL 104 3HG2 VAL 104 -10.001 15.594 -16.653 879 H LYS 105 H LYS 105 -6.814 14.297 -18.906 880 HA LYS 105 HA LYS 105 -6.617 15.554 -21.514 881 1HB LYS 105 2HB LYS 105 -5.780 13.113 -20.441 882 2HB LYS 105 3HB LYS 105 -7.066 12.690 -21.562 883 1HG LYS 105 2HG LYS 105 -4.958 12.607 -22.703 884 2HG LYS 105 3HG LYS 105 -5.900 13.964 -23.327 885 1HD LYS 105 2HD LYS 105 -4.632 15.454 -21.770 886 2HD LYS 105 3HD LYS 105 -3.608 14.073 -21.369 887 1HE LYS 105 2HE LYS 105 -3.001 13.874 -23.754 888 2HE LYS 105 3HE LYS 105 -3.969 15.307 -24.099 889 1HZ LYS 105 1HZ LYS 105 -2.525 16.629 -22.761 890 2HZ LYS 105 2HZ LYS 105 -1.563 15.754 -23.842 891 3HZ LYS 105 3HZ LYS 105 -1.669 15.272 -22.224 892 H GLU 106 H GLU 106 -8.186 15.607 -23.062 893 HA GLU 106 HA GLU 106 -10.901 15.356 -22.175 894 1HB GLU 106 2HB GLU 106 -11.467 16.104 -24.469 895 2HB GLU 106 3HB GLU 106 -10.315 17.163 -23.669 896 1HG GLU 106 2HG GLU 106 -9.054 15.054 -25.235 897 2HG GLU 106 3HG GLU 106 -10.063 16.138 -26.190 898 H VAL 107 H VAL 107 -12.394 13.828 -22.675 899 HA VAL 107 HA VAL 107 -11.407 11.453 -24.110 900 HB VAL 107 HB VAL 107 -13.299 11.782 -21.818 901 1HG1 VAL 107 1HG1 VAL 107 -13.399 9.632 -23.906 902 2HG1 VAL 107 2HG1 VAL 107 -13.910 9.324 -22.246 903 3HG1 VAL 107 3HG1 VAL 107 -14.724 10.560 -23.206 904 1HG2 VAL 107 1HG2 VAL 107 -10.711 10.649 -22.287 905 2HG2 VAL 107 2HG2 VAL 107 -11.567 10.874 -20.762 906 3HG2 VAL 107 3HG2 VAL 107 -11.808 9.400 -21.699 907 H HIS 108 H HIS 108 -12.571 10.574 -25.766 908 HA HIS 108 HA HIS 108 -14.995 12.032 -26.594 909 1HB HIS 108 2HB HIS 108 -12.626 11.110 -28.170 910 2HB HIS 108 3HB HIS 108 -14.202 11.162 -28.954 911 HD1 HIS 108 HD1 HIS 108 -15.314 13.770 -27.822 912 HD2 HIS 108 HD2 HIS 108 -11.409 13.322 -29.167 913 HE1 HIS 108 HE1 HIS 108 -14.533 16.088 -28.403 914 H GLU 109 H GLU 109 -16.191 10.628 -28.355 915 HA GLU 109 HA GLU 109 -16.946 8.200 -27.006 916 1HB GLU 109 2HB GLU 109 -17.960 9.036 -29.708 917 2HB GLU 109 3HB GLU 109 -18.790 8.126 -28.453 918 1HG GLU 109 2HG GLU 109 -19.795 10.039 -27.946 919 2HG GLU 109 3HG GLU 109 -18.263 10.514 -27.215 920 H GLU 110 H GLU 110 -16.071 6.275 -27.339 921 HA GLU 110 HA GLU 110 -15.653 5.033 -29.764 922 1HB GLU 110 2HB GLU 110 -13.653 6.979 -29.297 923 2HB GLU 110 3HB GLU 110 -12.896 5.410 -29.062 924 1HG GLU 110 2HG GLU 110 -13.054 4.851 -31.239 925 2HG GLU 110 3HG GLU 110 -14.595 5.680 -31.454 926 H TYR 111 H TYR 111 -13.490 3.414 -29.360 927 HA TYR 111 HA TYR 111 -13.984 2.234 -26.706 928 1HB TYR 111 2HB TYR 111 -15.131 0.867 -28.321 929 2HB TYR 111 3HB TYR 111 -13.717 0.826 -29.367 930 HD1 TYR 111 HD1 TYR 111 -14.068 0.254 -25.694 931 HD2 TYR 111 HD2 TYR 111 -13.005 -1.375 -29.478 932 HE1 TYR 111 HE1 TYR 111 -13.317 -1.811 -24.588 933 HE2 TYR 111 HE2 TYR 111 -12.252 -3.444 -28.383 934 HH TYR 111 HH TYR 111 -11.386 -3.833 -25.584 935 H ASP 112 H ASP 112 -12.088 3.297 -25.953 936 HA ASP 112 HA ASP 112 -9.604 2.002 -26.865 937 1HB ASP 112 2HB ASP 112 -9.927 4.507 -27.456 938 2HB ASP 112 3HB ASP 112 -9.633 4.791 -25.743 939 H LEU 113 H LEU 113 -10.998 3.871 -24.166 940 HA LEU 113 HA LEU 113 -9.188 3.051 -22.208 941 1HB LEU 113 2HB LEU 113 -12.086 3.595 -21.651 942 2HB LEU 113 3HB LEU 113 -10.693 3.909 -20.618 943 HG LEU 113 HG LEU 113 -11.493 5.424 -23.099 944 1HD1 LEU 113 1HD1 LEU 113 -12.813 6.348 -21.501 945 2HD1 LEU 113 2HD1 LEU 113 -11.338 7.261 -21.185 946 3HD1 LEU 113 3HD1 LEU 113 -11.745 5.870 -20.181 947 1HD2 LEU 113 1HD2 LEU 113 -9.041 5.650 -21.364 948 2HD2 LEU 113 2HD2 LEU 113 -9.570 6.903 -22.488 949 3HD2 LEU 113 3HD2 LEU 113 -9.110 5.311 -23.093 950 H TRP 114 H TRP 114 -10.364 1.895 -20.125 951 HA TRP 114 HA TRP 114 -10.352 -0.842 -20.758 952 1HB TRP 114 2HB TRP 114 -11.041 0.753 -18.323 953 2HB TRP 114 3HB TRP 114 -11.448 -0.960 -18.361 954 HD1 TRP 114 HD1 TRP 114 -8.897 1.032 -16.967 955 HE1 TRP 114 HE1 TRP 114 -6.629 -0.178 -16.824 956 HE3 TRP 114 HE3 TRP 114 -9.805 -2.787 -20.243 957 HZ2 TRP 114 HZ2 TRP 114 -5.389 -2.449 -17.951 958 HZ3 TRP 114 HZ3 TRP 114 -8.026 -4.436 -20.655 959 HH2 TRP 114 HH2 TRP 114 -5.864 -4.268 -19.532 960 H GLU 115 H GLU 115 -13.009 1.417 -20.165 961 HA GLU 115 HA GLU 115 -15.259 1.253 -20.476 962 1HB GLU 115 2HB GLU 115 -14.115 -0.423 -22.674 963 2HB GLU 115 3HB GLU 115 -15.858 -0.388 -22.443 964 1HG GLU 115 2HG GLU 115 -15.242 2.262 -22.386 965 2HG GLU 115 3HG GLU 115 -14.061 1.640 -23.537 966 H ASP 116 H ASP 116 -15.012 0.110 -18.279 967 HA ASP 116 HA ASP 116 -16.892 -1.950 -18.122 968 1HB ASP 116 2HB ASP 116 -14.191 -2.848 -18.657 969 2HB ASP 116 3HB ASP 116 -14.763 -3.464 -17.110 970 HA PRO 117 HA PRO 117 -14.833 -1.441 -13.792 971 1HB PRO 117 2HB PRO 117 -12.518 -0.029 -13.653 972 2HB PRO 117 3HB PRO 117 -12.563 -1.774 -13.929 973 1HG PRO 117 2HG PRO 117 -12.224 0.448 -15.907 974 2HG PRO 117 3HG PRO 117 -11.363 -1.099 -15.803 975 1HD PRO 117 2HD PRO 117 -13.387 -0.673 -17.550 976 2HD PRO 117 3HD PRO 117 -13.070 -2.262 -16.824 977 H ILE 118 H ILE 118 -13.859 1.384 -15.750 978 HA ILE 118 HA ILE 118 -14.862 3.230 -13.785 979 HB ILE 118 HB ILE 118 -14.026 4.953 -15.118 980 1HG1 ILE 118 2HG1 ILE 118 -15.248 4.305 -17.179 981 2HG1 ILE 118 3HG1 ILE 118 -13.587 4.793 -17.502 982 1HG2 ILE 118 1HG2 ILE 118 -11.792 4.225 -15.818 983 2HG2 ILE 118 2HG2 ILE 118 -12.248 3.532 -14.263 984 3HG2 ILE 118 3HG2 ILE 118 -12.316 2.544 -15.721 985 1HD1 ILE 118 1HD1 ILE 118 -14.122 2.877 -18.831 986 2HD1 ILE 118 2HD1 ILE 118 -12.958 2.403 -17.593 987 3HD1 ILE 118 3HD1 ILE 118 -14.662 1.987 -17.408 988 H TRP 119 H TRP 119 -16.219 1.480 -16.345 989 HA TRP 119 HA TRP 119 -18.307 3.406 -16.933 990 1HB TRP 119 2HB TRP 119 -17.306 1.851 -18.660 991 2HB TRP 119 3HB TRP 119 -18.141 0.531 -17.846 992 HD1 TRP 119 HD1 TRP 119 -19.064 3.913 -19.520 993 HE1 TRP 119 HE1 TRP 119 -21.352 3.627 -20.664 994 HE3 TRP 119 HE3 TRP 119 -20.091 -0.887 -18.091 995 HZ2 TRP 119 HZ2 TRP 119 -23.330 1.630 -20.926 996 HZ3 TRP 119 HZ3 TRP 119 -22.202 -1.911 -18.830 997 HH2 TRP 119 HH2 TRP 119 -23.787 -0.677 -20.218 998 H GLN 120 H GLN 120 -17.856 0.489 -15.051 999 HA GLN 120 HA GLN 120 -20.660 0.173 -14.472 1000 1HB GLN 120 2HB GLN 120 -18.859 -1.669 -14.548 1001 2HB GLN 120 3HB GLN 120 -18.413 -1.113 -12.940 1002 1HG GLN 120 2HG GLN 120 -21.237 -1.863 -13.585 1003 2HG GLN 120 3HG GLN 120 -20.039 -3.085 -13.161 1004 1HE2 GLN 120 1HE2 GLN 120 -22.512 -1.868 -11.839 1005 2HE2 GLN 120 2HE2 GLN 120 -21.984 -1.529 -10.230 1006 H TYR 121 H TYR 121 -17.888 0.646 -12.278 1007 HA TYR 121 HA TYR 121 -18.871 2.947 -11.019 1008 1HB TYR 121 2HB TYR 121 -20.444 0.841 -10.326 1009 2HB TYR 121 3HB TYR 121 -19.227 0.770 -9.057 1010 HD1 TYR 121 HD1 TYR 121 -19.892 1.781 -7.103 1011 HD2 TYR 121 HD2 TYR 121 -21.110 3.496 -10.801 1012 HE1 TYR 121 HE1 TYR 121 -21.054 3.573 -5.883 1013 HE2 TYR 121 HE2 TYR 121 -22.275 5.293 -9.591 1014 HH TYR 121 HH TYR 121 -23.326 5.501 -7.173 1015 H ILE 122 H ILE 122 -17.900 2.963 -8.588 1016 HA ILE 122 HA ILE 122 -15.149 3.064 -8.846 1017 HB ILE 122 HB ILE 122 -15.026 3.206 -6.409 1018 1HG1 ILE 122 2HG1 ILE 122 -17.968 2.499 -6.436 1019 2HG1 ILE 122 3HG1 ILE 122 -16.680 1.408 -5.937 1020 1HG2 ILE 122 1HG2 ILE 122 -16.310 4.937 -8.096 1021 2HG2 ILE 122 2HG2 ILE 122 -17.480 4.740 -6.792 1022 3HG2 ILE 122 3HG2 ILE 122 -15.843 5.288 -6.433 1023 1HD1 ILE 122 1HD1 ILE 122 -17.511 3.972 -4.608 1024 2HD1 ILE 122 2HD1 ILE 122 -17.685 2.330 -3.987 1025 3HD1 ILE 122 3HD1 ILE 122 -16.081 3.041 -4.161 Start of MODEL 14 1 H MET 1 H MET 1 4.429 -6.175 -4.479 2 HA MET 1 HA MET 1 2.518 -8.319 -3.937 3 1HB MET 1 2HB MET 1 4.035 -6.374 -2.266 4 2HB MET 1 3HB MET 1 2.497 -6.963 -1.649 5 1HG MET 1 2HG MET 1 3.916 -8.493 -0.742 6 2HG MET 1 3HG MET 1 3.505 -9.302 -2.252 7 1HE MET 1 1HE MET 1 7.565 -8.189 -0.750 8 2HE MET 1 2HE MET 1 6.349 -6.922 -0.590 9 3HE MET 1 3HE MET 1 6.057 -8.518 0.104 10 H GLN 2 H GLN 2 2.689 -4.772 -3.973 11 HA GLN 2 HA GLN 2 -0.246 -4.728 -4.226 12 1HB GLN 2 2HB GLN 2 -0.130 -2.453 -3.163 13 2HB GLN 2 3HB GLN 2 0.283 -3.790 -2.097 14 1HG GLN 2 2HG GLN 2 2.501 -3.215 -2.003 15 2HG GLN 2 3HG GLN 2 2.460 -2.375 -3.552 16 1HE2 GLN 2 1HE2 GLN 2 3.393 -1.564 -0.847 17 2HE2 GLN 2 2HE2 GLN 2 2.572 -0.080 -0.517 18 H LYS 3 H LYS 3 1.496 -4.968 -6.421 19 HA LYS 3 HA LYS 3 0.596 -2.789 -8.017 20 1HB LYS 3 2HB LYS 3 2.759 -1.871 -8.660 21 2HB LYS 3 3HB LYS 3 2.507 -1.686 -6.929 22 1HG LYS 3 2HG LYS 3 3.976 -4.082 -7.893 23 2HG LYS 3 3HG LYS 3 4.800 -2.522 -7.903 24 1HD LYS 3 2HD LYS 3 3.336 -3.148 -5.429 25 2HD LYS 3 3HD LYS 3 4.712 -4.199 -5.772 26 1HE LYS 3 2HE LYS 3 5.882 -1.874 -6.273 27 2HE LYS 3 3HE LYS 3 4.636 -1.288 -5.172 28 1HZ LYS 3 1HZ LYS 3 6.038 -3.649 -4.268 29 2HZ LYS 3 2HZ LYS 3 5.621 -2.246 -3.421 30 3HZ LYS 3 3HZ LYS 3 7.005 -2.267 -4.393 31 H GLY 4 H GLY 4 1.205 -3.036 -10.294 32 1HA GLY 4 2HA GLY 4 2.318 -4.376 -11.995 33 2HA GLY 4 3HA GLY 4 2.153 -5.760 -10.924 34 H LEU 5 H LEU 5 -0.528 -3.618 -11.145 35 HA LEU 5 HA LEU 5 -1.845 -5.331 -13.127 36 1HB LEU 5 2HB LEU 5 -2.561 -4.976 -10.290 37 2HB LEU 5 3HB LEU 5 -3.897 -4.869 -11.434 38 HG LEU 5 HG LEU 5 -3.746 -7.112 -10.568 39 1HD1 LEU 5 1HD1 LEU 5 -3.807 -8.299 -12.586 40 2HD1 LEU 5 2HD1 LEU 5 -2.625 -7.236 -13.350 41 3HD1 LEU 5 3HD1 LEU 5 -4.256 -6.650 -13.023 42 1HD2 LEU 5 1HD2 LEU 5 -1.843 -8.225 -10.207 43 2HD2 LEU 5 2HD2 LEU 5 -1.040 -6.675 -10.461 44 3HD2 LEU 5 3HD2 LEU 5 -1.197 -7.816 -11.797 45 H GLU 6 H GLU 6 -3.797 -4.377 -14.041 46 HA GLU 6 HA GLU 6 -3.544 -1.465 -14.201 47 1HB GLU 6 2HB GLU 6 -5.124 -3.340 -15.969 48 2HB GLU 6 3HB GLU 6 -4.832 -1.631 -16.259 49 1HG GLU 6 2HG GLU 6 -2.618 -1.966 -16.822 50 2HG GLU 6 3HG GLU 6 -2.532 -3.512 -15.979 51 H ILE 7 H ILE 7 -4.863 -0.260 -13.025 52 HA ILE 7 HA ILE 7 -7.620 -1.191 -12.591 53 HB ILE 7 HB ILE 7 -7.419 0.069 -10.334 54 1HG1 ILE 7 2HG1 ILE 7 -4.982 0.749 -11.114 55 2HG1 ILE 7 3HG1 ILE 7 -5.339 0.438 -9.419 56 1HG2 ILE 7 1HG2 ILE 7 -6.249 -2.643 -10.895 57 2HG2 ILE 7 2HG2 ILE 7 -6.502 -2.032 -9.260 58 3HG2 ILE 7 3HG2 ILE 7 -7.876 -2.246 -10.344 59 1HD1 ILE 7 1HD1 ILE 7 -4.200 -1.550 -9.406 60 2HD1 ILE 7 2HD1 ILE 7 -4.392 -1.797 -11.142 61 3HD1 ILE 7 3HD1 ILE 7 -3.239 -0.605 -10.543 62 H ALA 8 H ALA 8 -9.207 0.396 -12.527 63 HA ALA 8 HA ALA 8 -8.330 3.134 -13.169 64 1HB ALA 8 1HB ALA 8 -10.337 1.421 -14.575 65 2HB ALA 8 2HB ALA 8 -10.510 3.177 -14.580 66 3HB ALA 8 3HB ALA 8 -9.057 2.432 -15.247 67 H PHE 9 H PHE 9 -9.611 4.812 -12.389 68 HA PHE 9 HA PHE 9 -11.796 4.050 -10.574 69 1HB PHE 9 2HB PHE 9 -9.947 4.465 -9.122 70 2HB PHE 9 3HB PHE 9 -9.496 5.919 -10.006 71 HD1 PHE 9 HD1 PHE 9 -10.131 7.964 -9.169 72 HD2 PHE 9 HD2 PHE 9 -12.351 4.502 -8.076 73 HE1 PHE 9 HE1 PHE 9 -11.480 9.322 -7.624 74 HE2 PHE 9 HE2 PHE 9 -13.705 5.854 -6.529 75 HZ PHE 9 HZ PHE 9 -13.271 8.268 -6.302 76 H GLN 10 H GLN 10 -13.619 5.106 -10.979 77 HA GLN 10 HA GLN 10 -13.496 7.520 -12.645 78 1HB GLN 10 2HB GLN 10 -14.847 5.878 -13.682 79 2HB GLN 10 3HB GLN 10 -15.654 5.474 -12.172 80 1HG GLN 10 2HG GLN 10 -16.768 7.638 -12.175 81 2HG GLN 10 3HG GLN 10 -15.942 8.068 -13.671 82 1HE2 GLN 10 1HE2 GLN 10 -16.414 6.806 -15.569 83 2HE2 GLN 10 2HE2 GLN 10 -17.966 6.067 -15.742 84 H THR 11 H THR 11 -14.639 9.383 -12.098 85 HA THR 11 HA THR 11 -15.671 9.490 -9.340 86 HB THR 11 HB THR 11 -14.078 10.934 -8.767 87 HG1 THR 11 HG1 THR 11 -14.078 13.023 -9.945 88 1HG2 THR 11 1HG2 THR 11 -12.576 9.927 -10.350 89 2HG2 THR 11 2HG2 THR 11 -12.338 11.674 -10.401 90 3HG2 THR 11 3HG2 THR 11 -13.261 10.872 -11.672 91 H ILE 12 H ILE 12 -17.767 9.936 -9.403 92 HA ILE 12 HA ILE 12 -18.737 11.842 -11.433 93 HB ILE 12 HB ILE 12 -20.996 10.576 -10.940 94 1HG1 ILE 12 2HG1 ILE 12 -20.623 8.158 -10.617 95 2HG1 ILE 12 3HG1 ILE 12 -18.903 8.458 -10.397 96 1HG2 ILE 12 1HG2 ILE 12 -18.971 10.414 -12.933 97 2HG2 ILE 12 2HG2 ILE 12 -19.670 8.812 -12.708 98 3HG2 ILE 12 3HG2 ILE 12 -20.710 10.180 -13.103 99 1HD1 ILE 12 1HD1 ILE 12 -19.167 9.182 -8.284 100 2HD1 ILE 12 2HD1 ILE 12 -20.714 9.957 -8.626 101 3HD1 ILE 12 3HD1 ILE 12 -20.638 8.213 -8.378 102 H ASN 13 H ASN 13 -18.311 11.237 -8.160 103 HA ASN 13 HA ASN 13 -20.607 12.436 -7.044 104 1HB ASN 13 2HB ASN 13 -19.157 11.077 -5.669 105 2HB ASN 13 3HB ASN 13 -17.797 12.157 -5.962 106 1HD2 ASN 13 1HD2 ASN 13 -21.093 12.159 -4.667 107 2HD2 ASN 13 2HD2 ASN 13 -20.779 13.291 -3.400 108 H GLY 14 H GLY 14 -17.777 13.744 -8.539 109 1HA GLY 14 2HA GLY 14 -17.598 15.952 -9.329 110 2HA GLY 14 3HA GLY 14 -18.875 16.429 -8.220 111 H LEU 15 H LEU 15 -17.909 15.536 -5.811 112 HA LEU 15 HA LEU 15 -15.696 17.396 -5.399 113 1HB LEU 15 2HB LEU 15 -17.142 15.949 -3.215 114 2HB LEU 15 3HB LEU 15 -16.332 17.513 -3.164 115 HG LEU 15 HG LEU 15 -18.938 16.956 -4.579 116 1HD1 LEU 15 1HD1 LEU 15 -19.824 18.448 -2.725 117 2HD1 LEU 15 2HD1 LEU 15 -18.310 18.119 -1.882 118 3HD1 LEU 15 3HD1 LEU 15 -19.402 16.794 -2.282 119 1HD2 LEU 15 1HD2 LEU 15 -19.068 19.409 -4.726 120 2HD2 LEU 15 2HD2 LEU 15 -17.694 18.756 -5.618 121 3HD2 LEU 15 3HD2 LEU 15 -17.443 19.521 -4.049 122 H ASP 16 H ASP 16 -15.530 14.552 -6.490 123 HA ASP 16 HA ASP 16 -14.007 13.150 -4.472 124 1HB ASP 16 2HB ASP 16 -15.461 12.344 -6.670 125 2HB ASP 16 3HB ASP 16 -13.798 12.152 -7.217 126 H GLU 17 H GLU 17 -13.326 15.700 -6.400 127 HA GLU 17 HA GLU 17 -10.944 15.197 -7.686 128 1HB GLU 17 2HB GLU 17 -10.413 17.594 -7.319 129 2HB GLU 17 3HB GLU 17 -12.051 17.331 -7.899 130 1HG GLU 17 2HG GLU 17 -12.437 18.864 -6.263 131 2HG GLU 17 3HG GLU 17 -12.631 17.372 -5.345 132 H SER 18 H SER 18 -11.536 15.659 -4.263 133 HA SER 18 HA SER 18 -8.889 16.043 -3.415 134 1HB SER 18 2HB SER 18 -9.727 15.215 -1.198 135 2HB SER 18 3HB SER 18 -10.712 16.497 -1.903 136 HG SER 18 HG SER 18 -12.331 15.166 -1.994 137 H LEU 19 H LEU 19 -10.815 13.069 -3.695 138 HA LEU 19 HA LEU 19 -8.786 11.320 -2.804 139 1HB LEU 19 2HB LEU 19 -11.374 10.998 -3.201 140 2HB LEU 19 3HB LEU 19 -10.828 10.412 -4.771 141 HG LEU 19 HG LEU 19 -10.328 9.239 -2.052 142 1HD1 LEU 19 1HD1 LEU 19 -12.358 8.583 -3.266 143 2HD1 LEU 19 2HD1 LEU 19 -11.233 7.238 -3.078 144 3HD1 LEU 19 3HD1 LEU 19 -11.364 8.066 -4.629 145 1HD2 LEU 19 1HD2 LEU 19 -8.168 9.284 -3.126 146 2HD2 LEU 19 2HD2 LEU 19 -8.856 8.634 -4.614 147 3HD2 LEU 19 3HD2 LEU 19 -8.804 7.639 -3.159 148 H VAL 20 H VAL 20 -9.800 12.327 -6.051 149 HA VAL 20 HA VAL 20 -8.097 10.692 -7.537 150 HB VAL 20 HB VAL 20 -8.983 13.493 -8.243 151 1HG1 VAL 20 1HG1 VAL 20 -7.797 11.241 -9.825 152 2HG1 VAL 20 2HG1 VAL 20 -8.819 12.455 -10.596 153 3HG1 VAL 20 3HG1 VAL 20 -7.329 12.941 -9.786 154 1HG2 VAL 20 1HG2 VAL 20 -10.837 11.948 -7.626 155 2HG2 VAL 20 2HG2 VAL 20 -10.896 12.500 -9.299 156 3HG2 VAL 20 3HG2 VAL 20 -10.317 10.877 -8.927 157 H GLN 21 H GLN 21 -7.579 14.046 -6.448 158 HA GLN 21 HA GLN 21 -4.932 14.222 -7.430 159 1HB GLN 21 2HB GLN 21 -6.314 15.801 -5.255 160 2HB GLN 21 3HB GLN 21 -4.764 16.224 -5.972 161 1HG GLN 21 2HG GLN 21 -7.198 15.890 -7.677 162 2HG GLN 21 3HG GLN 21 -6.894 17.396 -6.812 163 1HE2 GLN 21 1HE2 GLN 21 -6.745 16.252 -9.730 164 2HE2 GLN 21 2HE2 GLN 21 -5.304 16.987 -10.334 165 H ALA 22 H ALA 22 -6.228 13.584 -4.183 166 HA ALA 22 HA ALA 22 -3.808 13.374 -2.820 167 1HB ALA 22 1HB ALA 22 -6.498 12.127 -2.351 168 2HB ALA 22 2HB ALA 22 -5.137 11.846 -1.265 169 3HB ALA 22 3HB ALA 22 -5.747 13.482 -1.508 170 H LEU 23 H LEU 23 -5.757 10.767 -4.278 171 HA LEU 23 HA LEU 23 -3.935 8.697 -3.722 172 1HB LEU 23 2HB LEU 23 -5.339 7.337 -4.894 173 2HB LEU 23 3HB LEU 23 -6.427 8.678 -4.540 174 HG LEU 23 HG LEU 23 -5.606 9.515 -6.906 175 1HD1 LEU 23 1HD1 LEU 23 -5.668 6.763 -7.795 176 2HD1 LEU 23 2HD1 LEU 23 -4.277 7.088 -6.761 177 3HD1 LEU 23 3HD1 LEU 23 -4.546 8.060 -8.208 178 1HD2 LEU 23 1HD2 LEU 23 -7.910 9.087 -6.367 179 2HD2 LEU 23 2HD2 LEU 23 -7.645 7.345 -6.430 180 3HD2 LEU 23 3HD2 LEU 23 -7.531 8.308 -7.903 181 H ALA 24 H ALA 24 -4.161 10.994 -6.350 182 HA ALA 24 HA ALA 24 -2.445 9.723 -8.181 183 1HB ALA 24 1HB ALA 24 -3.814 11.516 -8.939 184 2HB ALA 24 2HB ALA 24 -3.105 12.632 -7.771 185 3HB ALA 24 3HB ALA 24 -2.135 12.028 -9.115 186 H GLY 25 H GLY 25 -1.748 12.309 -5.819 187 1HA GLY 25 2HA GLY 25 1.036 12.354 -6.295 188 2HA GLY 25 3HA GLY 25 0.228 12.996 -4.873 189 H VAL 26 H VAL 26 -0.893 10.695 -3.818 190 HA VAL 26 HA VAL 26 1.228 9.629 -2.343 191 HB VAL 26 HB VAL 26 -1.522 8.458 -2.788 192 1HG1 VAL 26 1HG1 VAL 26 -0.803 7.594 -0.348 193 2HG1 VAL 26 2HG1 VAL 26 -0.542 6.662 -1.824 194 3HG1 VAL 26 3HG1 VAL 26 0.774 7.614 -1.135 195 1HG2 VAL 26 1HG2 VAL 26 -2.317 9.963 -1.352 196 2HG2 VAL 26 2HG2 VAL 26 -1.003 9.673 -0.212 197 3HG2 VAL 26 3HG2 VAL 26 -0.789 10.823 -1.532 198 H THR 27 H THR 27 -0.488 8.345 -5.160 199 HA THR 27 HA THR 27 0.803 5.835 -5.219 200 HB THR 27 HB THR 27 -0.457 7.396 -7.483 201 HG1 THR 27 HG1 THR 27 -1.419 5.630 -5.519 202 1HG2 THR 27 1HG2 THR 27 1.068 5.700 -8.344 203 2HG2 THR 27 2HG2 THR 27 -0.607 5.222 -8.626 204 3HG2 THR 27 3HG2 THR 27 0.314 4.481 -7.317 205 H ALA 28 H ALA 28 1.396 8.786 -7.134 206 HA ALA 28 HA ALA 28 3.636 7.854 -8.518 207 1HB ALA 28 1HB ALA 28 4.054 10.108 -9.120 208 2HB ALA 28 2HB ALA 28 2.302 9.935 -9.001 209 3HB ALA 28 3HB ALA 28 3.201 10.717 -7.701 210 H SER 29 H SER 29 3.352 9.391 -5.358 211 HA SER 29 HA SER 29 6.176 9.645 -4.964 212 1HB SER 29 2HB SER 29 4.509 11.103 -3.829 213 2HB SER 29 3HB SER 29 3.961 9.708 -2.900 214 HG SER 29 HG SER 29 5.679 9.842 -1.676 215 H ASP 30 H ASP 30 3.754 7.231 -4.247 216 HA ASP 30 HA ASP 30 5.453 5.700 -2.502 217 1HB ASP 30 2HB ASP 30 3.094 5.542 -2.125 218 2HB ASP 30 3HB ASP 30 2.793 5.114 -3.807 219 H PHE 31 H PHE 31 5.057 6.009 -5.872 220 HA PHE 31 HA PHE 31 6.473 3.467 -6.325 221 1HB PHE 31 2HB PHE 31 4.538 5.012 -8.030 222 2HB PHE 31 3HB PHE 31 5.652 3.854 -8.750 223 HD1 PHE 31 HD1 PHE 31 2.449 4.270 -7.461 224 HD2 PHE 31 HD2 PHE 31 5.678 1.497 -7.514 225 HE1 PHE 31 HE1 PHE 31 0.887 2.445 -6.927 226 HE2 PHE 31 HE2 PHE 31 4.121 -0.332 -6.981 227 HZ PHE 31 HZ PHE 31 1.722 0.141 -6.688 228 HA PRO 32 HA PRO 32 9.466 6.908 -7.221 229 1HB PRO 32 2HB PRO 32 11.551 5.750 -5.924 230 2HB PRO 32 3HB PRO 32 10.368 6.781 -5.112 231 1HG PRO 32 2HG PRO 32 10.522 3.793 -5.215 232 2HG PRO 32 3HG PRO 32 10.165 4.848 -3.835 233 1HD PRO 32 2HD PRO 32 8.230 3.553 -5.218 234 2HD PRO 32 3HD PRO 32 7.967 5.139 -4.465 235 H ASP 33 H ASP 33 9.306 3.508 -7.731 236 HA ASP 33 HA ASP 33 11.685 3.202 -9.260 237 1HB ASP 33 2HB ASP 33 9.173 1.567 -8.970 238 2HB ASP 33 3HB ASP 33 10.436 1.115 -10.112 239 H LEU 34 H LEU 34 8.842 4.835 -9.893 240 HA LEU 34 HA LEU 34 8.024 5.872 -11.744 241 1HB LEU 34 2HB LEU 34 10.418 4.882 -13.262 242 2HB LEU 34 3HB LEU 34 9.452 6.326 -13.562 243 HG LEU 34 HG LEU 34 11.404 5.891 -11.303 244 1HD1 LEU 34 1HD1 LEU 34 11.481 7.307 -13.907 245 2HD1 LEU 34 2HD1 LEU 34 12.760 6.462 -13.035 246 3HD1 LEU 34 3HD1 LEU 34 12.267 8.078 -12.529 247 1HD2 LEU 34 1HD2 LEU 34 9.672 7.177 -10.368 248 2HD2 LEU 34 2HD2 LEU 34 9.446 8.105 -11.851 249 3HD2 LEU 34 3HD2 LEU 34 10.894 8.345 -10.872 250 H ASP 35 H ASP 35 7.764 2.888 -11.196 251 HA ASP 35 HA ASP 35 7.207 1.864 -13.870 252 1HB ASP 35 2HB ASP 35 6.645 -0.251 -12.628 253 2HB ASP 35 3HB ASP 35 8.304 0.304 -12.421 254 H ILE 36 H ILE 36 5.638 3.984 -12.254 255 HA ILE 36 HA ILE 36 2.998 2.691 -12.409 256 HB ILE 36 HB ILE 36 3.298 3.555 -10.225 257 1HG1 ILE 36 2HG1 ILE 36 1.224 4.320 -11.778 258 2HG1 ILE 36 3HG1 ILE 36 1.343 4.702 -10.064 259 1HG2 ILE 36 1HG2 ILE 36 5.189 4.967 -10.502 260 2HG2 ILE 36 2HG2 ILE 36 4.300 6.054 -11.567 261 3HG2 ILE 36 3HG2 ILE 36 3.890 5.968 -9.855 262 1HD1 ILE 36 1HD1 ILE 36 0.705 6.604 -11.557 263 2HD1 ILE 36 2HD1 ILE 36 2.104 6.897 -10.523 264 3HD1 ILE 36 3HD1 ILE 36 2.332 6.529 -12.233 265 H LYS 37 H LYS 37 1.600 3.312 -13.926 266 HA LYS 37 HA LYS 37 2.112 5.841 -15.349 267 1HB LYS 37 2HB LYS 37 0.956 3.367 -16.630 268 2HB LYS 37 3HB LYS 37 1.516 4.832 -17.426 269 1HG LYS 37 2HG LYS 37 3.276 2.895 -15.936 270 2HG LYS 37 3HG LYS 37 3.069 2.946 -17.688 271 1HD LYS 37 2HD LYS 37 4.121 5.208 -15.989 272 2HD LYS 37 3HD LYS 37 5.113 4.106 -16.946 273 1HE LYS 37 2HE LYS 37 3.718 4.859 -18.944 274 2HE LYS 37 3HE LYS 37 3.138 6.159 -17.904 275 1HZ LYS 37 1HZ LYS 37 4.947 7.046 -19.062 276 2HZ LYS 37 2HZ LYS 37 5.899 5.665 -18.843 277 3HZ LYS 37 3HZ LYS 37 5.571 6.682 -17.532 278 H TYR 38 H TYR 38 0.584 7.071 -14.330 279 HA TYR 38 HA TYR 38 -2.209 6.177 -14.621 280 1HB TYR 38 2HB TYR 38 -2.779 7.048 -12.550 281 2HB TYR 38 3HB TYR 38 -1.158 6.437 -12.237 282 HD1 TYR 38 HD1 TYR 38 0.751 8.263 -12.804 283 HD2 TYR 38 HD2 TYR 38 -3.269 9.135 -11.717 284 HE1 TYR 38 HE1 TYR 38 1.448 10.495 -12.040 285 HE2 TYR 38 HE2 TYR 38 -2.584 11.370 -10.951 286 HH TYR 38 HH TYR 38 0.723 12.527 -11.386 287 H ASN 39 H ASN 39 -3.788 7.883 -14.935 288 HA ASN 39 HA ASN 39 -2.878 10.513 -15.676 289 1HB ASN 39 2HB ASN 39 -3.597 8.465 -17.729 290 2HB ASN 39 3HB ASN 39 -4.080 10.136 -18.005 291 1HD2 ASN 39 1HD2 ASN 39 -1.976 8.170 -19.105 292 2HD2 ASN 39 2HD2 ASN 39 -0.545 9.136 -19.182 293 H ILE 40 H ILE 40 -4.600 11.995 -16.021 294 HA ILE 40 HA ILE 40 -7.259 10.967 -15.279 295 HB ILE 40 HB ILE 40 -7.029 13.677 -14.446 296 1HG1 ILE 40 2HG1 ILE 40 -4.826 11.870 -13.430 297 2HG1 ILE 40 3HG1 ILE 40 -4.623 13.370 -14.328 298 1HG2 ILE 40 1HG2 ILE 40 -8.540 11.880 -13.598 299 2HG2 ILE 40 2HG2 ILE 40 -7.156 11.192 -12.750 300 3HG2 ILE 40 3HG2 ILE 40 -7.731 12.806 -12.334 301 1HD1 ILE 40 1HD1 ILE 40 -4.160 13.794 -12.032 302 2HD1 ILE 40 2HD1 ILE 40 -5.696 14.565 -12.430 303 3HD1 ILE 40 3HD1 ILE 40 -5.677 13.047 -11.533 304 H PHE 41 H PHE 41 -8.749 11.382 -16.759 305 HA PHE 41 HA PHE 41 -8.493 13.818 -18.387 306 1HB PHE 41 2HB PHE 41 -9.652 12.261 -20.194 307 2HB PHE 41 3HB PHE 41 -7.901 12.311 -20.017 308 HD1 PHE 41 HD1 PHE 41 -10.932 10.350 -19.401 309 HD2 PHE 41 HD2 PHE 41 -6.685 10.440 -19.133 310 HE1 PHE 41 HE1 PHE 41 -10.909 7.921 -19.009 311 HE2 PHE 41 HE2 PHE 41 -6.655 8.011 -18.742 312 HZ PHE 41 HZ PHE 41 -8.769 6.748 -18.680 313 H LEU 42 H LEU 42 -10.455 14.729 -19.126 314 HA LEU 42 HA LEU 42 -12.775 13.939 -17.508 315 1HB LEU 42 2HB LEU 42 -11.721 16.295 -17.443 316 2HB LEU 42 3HB LEU 42 -12.520 16.526 -18.997 317 HG LEU 42 HG LEU 42 -13.839 17.489 -17.205 318 1HD1 LEU 42 1HD1 LEU 42 -15.860 16.740 -17.952 319 2HD1 LEU 42 2HD1 LEU 42 -15.381 15.044 -17.896 320 3HD1 LEU 42 3HD1 LEU 42 -14.813 16.078 -19.207 321 1HD2 LEU 42 1HD2 LEU 42 -13.245 16.300 -15.281 322 2HD2 LEU 42 2HD2 LEU 42 -13.604 14.740 -16.022 323 3HD2 LEU 42 3HD2 LEU 42 -14.919 15.831 -15.581 324 H VAL 43 H VAL 43 -14.506 13.082 -18.451 325 HA VAL 43 HA VAL 43 -14.700 13.216 -21.386 326 HB VAL 43 HB VAL 43 -15.552 11.096 -21.458 327 1HG1 VAL 43 1HG1 VAL 43 -14.050 9.764 -20.395 328 2HG1 VAL 43 2HG1 VAL 43 -13.293 11.323 -20.063 329 3HG1 VAL 43 3HG1 VAL 43 -14.292 10.547 -18.834 330 1HG2 VAL 43 1HG2 VAL 43 -17.517 11.368 -20.175 331 2HG2 VAL 43 2HG2 VAL 43 -16.658 10.007 -19.455 332 3HG2 VAL 43 3HG2 VAL 43 -16.604 11.591 -18.683 333 H ASP 44 H ASP 44 -16.517 13.965 -22.347 334 HA ASP 44 HA ASP 44 -18.837 14.585 -20.656 335 1HB ASP 44 2HB ASP 44 -19.069 16.770 -21.826 336 2HB ASP 44 3HB ASP 44 -17.614 16.665 -20.838 337 H LEU 45 H LEU 45 -20.391 13.337 -21.470 338 HA LEU 45 HA LEU 45 -21.020 13.574 -24.310 339 1HB LEU 45 2HB LEU 45 -19.699 11.347 -23.306 340 2HB LEU 45 3HB LEU 45 -21.386 10.847 -23.400 341 HG LEU 45 HG LEU 45 -19.507 11.596 -25.603 342 1HD1 LEU 45 1HD1 LEU 45 -21.010 9.249 -24.707 343 2HD1 LEU 45 2HD1 LEU 45 -19.529 9.358 -25.658 344 3HD1 LEU 45 3HD1 LEU 45 -21.097 9.554 -26.442 345 1HD2 LEU 45 1HD2 LEU 45 -21.294 13.013 -26.150 346 2HD2 LEU 45 2HD2 LEU 45 -22.501 11.844 -25.612 347 3HD2 LEU 45 3HD2 LEU 45 -21.579 11.547 -27.087 348 H TYR 46 H TYR 46 -23.185 13.363 -24.789 349 HA TYR 46 HA TYR 46 -25.433 13.377 -24.445 350 1HB TYR 46 2HB TYR 46 -24.669 11.622 -22.106 351 2HB TYR 46 3HB TYR 46 -26.329 11.926 -22.606 352 HD1 TYR 46 HD1 TYR 46 -23.090 10.780 -24.084 353 HD2 TYR 46 HD2 TYR 46 -27.325 10.383 -24.001 354 HE1 TYR 46 HE1 TYR 46 -22.941 8.918 -25.685 355 HE2 TYR 46 HE2 TYR 46 -27.188 8.520 -25.600 356 HH TYR 46 HH TYR 46 -25.781 7.530 -27.158 357 H GLY 47 H GLY 47 -23.966 15.569 -23.520 358 1HA GLY 47 2HA GLY 47 -24.276 17.472 -22.273 359 2HA GLY 47 3HA GLY 47 -25.863 16.838 -21.866 360 H GLN 48 H GLN 48 -23.419 14.675 -21.039 361 HA GLN 48 HA GLN 48 -23.344 15.699 -18.278 362 1HB GLN 48 2HB GLN 48 -23.548 12.807 -19.134 363 2HB GLN 48 3HB GLN 48 -23.411 13.378 -17.477 364 1HG GLN 48 2HG GLN 48 -25.563 14.240 -17.460 365 2HG GLN 48 3HG GLN 48 -25.660 14.294 -19.219 366 1HE2 GLN 48 1HE2 GLN 48 -27.445 13.080 -17.223 367 2HE2 GLN 48 2HE2 GLN 48 -27.584 11.418 -17.672 368 H LYS 49 H LYS 49 -21.389 15.848 -17.365 369 HA LYS 49 HA LYS 49 -19.128 14.530 -18.721 370 1HB LYS 49 2HB LYS 49 -17.757 16.438 -18.360 371 2HB LYS 49 3HB LYS 49 -19.263 17.031 -19.048 372 1HG LYS 49 2HG LYS 49 -18.821 16.983 -16.086 373 2HG LYS 49 3HG LYS 49 -18.234 18.313 -17.086 374 1HD LYS 49 2HD LYS 49 -20.256 19.230 -16.996 375 2HD LYS 49 3HD LYS 49 -20.904 17.831 -17.855 376 1HE LYS 49 2HE LYS 49 -21.123 16.675 -15.656 377 2HE LYS 49 3HE LYS 49 -20.644 18.179 -14.871 378 1HZ LYS 49 1HZ LYS 49 -22.597 19.213 -15.461 379 2HZ LYS 49 2HZ LYS 49 -23.136 17.638 -15.161 380 3HZ LYS 49 3HZ LYS 49 -22.908 18.165 -16.752 381 H TYR 50 H TYR 50 -17.514 13.662 -17.442 382 HA TYR 50 HA TYR 50 -17.701 13.924 -14.548 383 1HB TYR 50 2HB TYR 50 -17.726 11.186 -15.822 384 2HB TYR 50 3HB TYR 50 -17.889 11.577 -14.114 385 HD1 TYR 50 HD1 TYR 50 -19.621 10.978 -17.180 386 HD2 TYR 50 HD2 TYR 50 -19.969 12.884 -13.392 387 HE1 TYR 50 HE1 TYR 50 -22.067 11.014 -17.429 388 HE2 TYR 50 HE2 TYR 50 -22.416 12.924 -13.630 389 HH TYR 50 HH TYR 50 -24.168 11.888 -14.819 390 H PHE 51 H PHE 51 -15.893 12.549 -13.505 391 HA PHE 51 HA PHE 51 -13.458 13.012 -15.076 392 1HB PHE 51 2HB PHE 51 -13.930 12.773 -12.103 393 2HB PHE 51 3HB PHE 51 -12.322 12.825 -12.819 394 HD1 PHE 51 HD1 PHE 51 -15.527 14.732 -12.872 395 HD2 PHE 51 HD2 PHE 51 -11.274 14.861 -12.980 396 HE1 PHE 51 HE1 PHE 51 -15.605 17.191 -12.850 397 HE2 PHE 51 HE2 PHE 51 -11.345 17.320 -12.957 398 HZ PHE 51 HZ PHE 51 -13.512 18.488 -12.892 399 H ARG 52 H ARG 52 -12.076 11.404 -15.586 400 HA ARG 52 HA ARG 52 -12.522 8.748 -14.417 401 1HB ARG 52 2HB ARG 52 -13.402 9.371 -16.931 402 2HB ARG 52 3HB ARG 52 -11.799 8.730 -17.266 403 1HG ARG 52 2HG ARG 52 -13.914 7.304 -15.668 404 2HG ARG 52 3HG ARG 52 -13.581 7.030 -17.379 405 1HD ARG 52 2HD ARG 52 -11.110 6.859 -16.051 406 2HD ARG 52 3HD ARG 52 -12.261 5.949 -15.073 407 HE ARG 52 HE ARG 52 -12.768 5.031 -17.543 408 1HH1 ARG 52 2HH1 ARG 52 -9.798 5.461 -15.778 409 2HH1 ARG 52 1HH1 ARG 52 -8.989 4.144 -16.560 410 1HH2 ARG 52 2HH2 ARG 52 -11.714 3.295 -18.581 411 2HH2 ARG 52 1HH2 ARG 52 -10.080 2.913 -18.155 412 H ILE 53 H ILE 53 -10.697 7.880 -13.692 413 HA ILE 53 HA ILE 53 -8.146 8.888 -14.772 414 HB ILE 53 HB ILE 53 -7.175 8.844 -12.698 415 1HG1 ILE 53 2HG1 ILE 53 -8.441 7.496 -10.788 416 2HG1 ILE 53 3HG1 ILE 53 -9.079 6.608 -12.167 417 1HG2 ILE 53 1HG2 ILE 53 -9.901 9.149 -11.554 418 2HG2 ILE 53 2HG2 ILE 53 -8.469 10.156 -11.350 419 3HG2 ILE 53 3HG2 ILE 53 -9.406 10.249 -12.841 420 1HD1 ILE 53 1HD1 ILE 53 -6.648 6.214 -10.860 421 2HD1 ILE 53 2HD1 ILE 53 -7.204 5.453 -12.352 422 3HD1 ILE 53 3HD1 ILE 53 -6.241 6.929 -12.420 423 H LEU 54 H LEU 54 -6.677 7.466 -15.522 424 HA LEU 54 HA LEU 54 -7.320 4.601 -15.272 425 1HB LEU 54 2HB LEU 54 -7.487 5.782 -17.561 426 2HB LEU 54 3HB LEU 54 -5.725 5.766 -17.526 427 HG LEU 54 HG LEU 54 -7.548 3.361 -17.509 428 1HD1 LEU 54 1HD1 LEU 54 -7.525 3.816 -19.710 429 2HD1 LEU 54 2HD1 LEU 54 -5.915 3.099 -19.645 430 3HD1 LEU 54 3HD1 LEU 54 -6.103 4.852 -19.592 431 1HD2 LEU 54 1HD2 LEU 54 -4.604 3.666 -17.086 432 2HD2 LEU 54 2HD2 LEU 54 -5.241 2.222 -17.874 433 3HD2 LEU 54 3HD2 LEU 54 -5.759 2.636 -16.239 434 H PHE 55 H PHE 55 -5.897 3.456 -14.157 435 HA PHE 55 HA PHE 55 -3.102 4.386 -14.067 436 1HB PHE 55 2HB PHE 55 -3.902 4.767 -11.890 437 2HB PHE 55 3HB PHE 55 -4.855 3.287 -11.885 438 HD1 PHE 55 HD1 PHE 55 -1.313 3.651 -12.893 439 HD2 PHE 55 HD2 PHE 55 -4.050 2.222 -9.963 440 HE1 PHE 55 HE1 PHE 55 0.525 2.476 -11.754 441 HE2 PHE 55 HE2 PHE 55 -2.216 1.046 -8.819 442 HZ PHE 55 HZ PHE 55 0.075 1.173 -9.714 443 H GLN 56 H GLN 56 -1.734 3.021 -14.984 444 HA GLN 56 HA GLN 56 -2.252 0.137 -14.788 445 1HB GLN 56 2HB GLN 56 -1.288 0.003 -17.171 446 2HB GLN 56 3HB GLN 56 -2.956 0.526 -16.983 447 1HG GLN 56 2HG GLN 56 -2.522 2.640 -17.671 448 2HG GLN 56 3HG GLN 56 -0.882 2.633 -17.024 449 1HE2 GLN 56 1HE2 GLN 56 0.776 2.186 -18.344 450 2HE2 GLN 56 2HE2 GLN 56 0.620 1.742 -20.006 451 H SER 57 H SER 57 -0.391 -1.195 -14.884 452 HA SER 57 HA SER 57 2.013 0.166 -13.953 453 1HB SER 57 2HB SER 57 2.723 -2.351 -13.652 454 2HB SER 57 3HB SER 57 1.587 -1.609 -12.526 455 HG SER 57 HG SER 57 0.131 -2.970 -13.170 456 H LYS 58 H LYS 58 4.092 -1.240 -14.649 457 HA LYS 58 HA LYS 58 4.174 -0.999 -17.566 458 1HB LYS 58 2HB LYS 58 5.825 0.138 -15.875 459 2HB LYS 58 3HB LYS 58 6.599 -1.441 -15.865 460 1HG LYS 58 2HG LYS 58 6.008 -0.145 -18.479 461 2HG LYS 58 3HG LYS 58 7.375 0.427 -17.521 462 1HD LYS 58 2HD LYS 58 7.076 -2.503 -17.943 463 2HD LYS 58 3HD LYS 58 7.639 -1.518 -19.295 464 1HE LYS 58 2HE LYS 58 9.399 -0.591 -17.797 465 2HE LYS 58 3HE LYS 58 8.883 -1.731 -16.556 466 1HZ LYS 58 1HZ LYS 58 9.260 -3.425 -18.510 467 2HZ LYS 58 2HZ LYS 58 10.539 -2.923 -17.523 468 3HZ LYS 58 3HZ LYS 58 10.326 -2.228 -19.050 469 H LYS 59 H LYS 59 4.791 -3.275 -14.956 470 HA LYS 59 HA LYS 59 5.556 -5.354 -16.856 471 1HB LYS 59 2HB LYS 59 6.706 -4.931 -14.589 472 2HB LYS 59 3HB LYS 59 5.294 -5.700 -13.878 473 1HG LYS 59 2HG LYS 59 6.962 -7.363 -14.087 474 2HG LYS 59 3HG LYS 59 5.758 -7.686 -15.337 475 1HD LYS 59 2HD LYS 59 7.923 -7.945 -16.319 476 2HD LYS 59 3HD LYS 59 7.219 -6.455 -16.950 477 1HE LYS 59 2HE LYS 59 8.622 -5.107 -15.670 478 2HE LYS 59 3HE LYS 59 9.002 -6.408 -14.544 479 1HZ LYS 59 1HZ LYS 59 10.271 -5.709 -17.021 480 2HZ LYS 59 2HZ LYS 59 9.899 -7.355 -16.920 481 3HZ LYS 59 3HZ LYS 59 10.858 -6.631 -15.730 482 H LEU 60 H LEU 60 2.743 -4.111 -15.729 483 HA LEU 60 HA LEU 60 1.013 -5.829 -14.761 484 1HB LEU 60 2HB LEU 60 -0.457 -5.208 -16.933 485 2HB LEU 60 3HB LEU 60 -0.186 -4.119 -15.574 486 HG LEU 60 HG LEU 60 1.666 -3.068 -16.839 487 1HD1 LEU 60 1HD1 LEU 60 2.369 -4.806 -18.288 488 2HD1 LEU 60 2HD1 LEU 60 1.710 -3.530 -19.311 489 3HD1 LEU 60 3HD1 LEU 60 0.755 -4.975 -18.981 490 1HD2 LEU 60 1HD2 LEU 60 -0.624 -2.152 -16.868 491 2HD2 LEU 60 2HD2 LEU 60 -0.963 -3.097 -18.318 492 3HD2 LEU 60 3HD2 LEU 60 0.258 -1.824 -18.360 493 H SER 61 H SER 61 1.050 -7.982 -14.853 494 HA SER 61 HA SER 61 1.298 -9.273 -17.486 495 1HB SER 61 2HB SER 61 2.971 -10.312 -16.336 496 2HB SER 61 3HB SER 61 2.235 -9.988 -14.767 497 HG SER 61 HG SER 61 2.274 -12.254 -15.546 498 H GLU 62 H GLU 62 -0.105 -10.966 -18.050 499 HA GLU 62 HA GLU 62 -2.784 -10.635 -17.144 500 1HB GLU 62 2HB GLU 62 -1.409 -12.409 -19.116 501 2HB GLU 62 3HB GLU 62 -3.038 -12.821 -18.601 502 1HG GLU 62 2HG GLU 62 -3.468 -11.564 -20.459 503 2HG GLU 62 3HG GLU 62 -3.550 -10.336 -19.197 504 H LEU 63 H LEU 63 -0.261 -13.015 -16.565 505 HA LEU 63 HA LEU 63 -1.958 -14.821 -15.128 506 1HB LEU 63 2HB LEU 63 1.047 -14.651 -15.045 507 2HB LEU 63 3HB LEU 63 0.044 -16.037 -14.622 508 HG LEU 63 HG LEU 63 -0.676 -15.702 -17.199 509 1HD1 LEU 63 1HD1 LEU 63 2.062 -15.467 -17.878 510 2HD1 LEU 63 2HD1 LEU 63 1.632 -14.074 -16.886 511 3HD1 LEU 63 3HD1 LEU 63 0.719 -14.427 -18.353 512 1HD2 LEU 63 1HD2 LEU 63 1.687 -17.240 -16.128 513 2HD2 LEU 63 2HD2 LEU 63 0.937 -17.512 -17.702 514 3HD2 LEU 63 3HD2 LEU 63 0.015 -17.794 -16.225 515 H HIS 64 H HIS 64 -0.674 -15.495 -12.860 516 HA HIS 64 HA HIS 64 -0.445 -14.984 -10.655 517 1HB HIS 64 2HB HIS 64 0.186 -12.161 -11.517 518 2HB HIS 64 3HB HIS 64 0.696 -12.978 -10.043 519 HD1 HIS 64 HD1 HIS 64 2.160 -15.336 -10.763 520 HD2 HIS 64 HD2 HIS 64 2.237 -12.010 -13.251 521 HE1 HIS 64 HE1 HIS 64 4.227 -15.598 -12.171 522 HA PRO 65 HA PRO 65 -4.685 -13.016 -10.846 523 1HB PRO 65 2HB PRO 65 -6.013 -15.154 -9.829 524 2HB PRO 65 3HB PRO 65 -5.698 -14.952 -11.557 525 1HG PRO 65 2HG PRO 65 -4.229 -16.613 -9.546 526 2HG PRO 65 3HG PRO 65 -4.705 -17.025 -11.204 527 1HD PRO 65 2HD PRO 65 -2.191 -16.255 -10.558 528 2HD PRO 65 3HD PRO 65 -2.928 -15.886 -12.130 529 H GLU 66 H GLU 66 -2.890 -14.819 -8.436 530 HA GLU 66 HA GLU 66 -4.411 -14.199 -6.168 531 1HB GLU 66 2HB GLU 66 -2.292 -15.753 -6.544 532 2HB GLU 66 3HB GLU 66 -1.440 -14.333 -5.952 533 1HG GLU 66 2HG GLU 66 -1.783 -15.499 -4.014 534 2HG GLU 66 3HG GLU 66 -3.180 -14.424 -4.024 535 H GLU 67 H GLU 67 -2.148 -12.307 -8.008 536 HA GLU 67 HA GLU 67 -1.761 -10.296 -5.996 537 1HB GLU 67 2HB GLU 67 -1.244 -10.087 -8.966 538 2HB GLU 67 3HB GLU 67 -0.565 -9.072 -7.701 539 1HG GLU 67 2HG GLU 67 -0.056 -12.024 -7.972 540 2HG GLU 67 3HG GLU 67 1.009 -10.761 -8.586 541 H ARG 68 H ARG 68 -3.979 -10.836 -8.633 542 HA ARG 68 HA ARG 68 -4.976 -8.267 -9.016 543 1HB ARG 68 2HB ARG 68 -5.757 -10.957 -9.693 544 2HB ARG 68 3HB ARG 68 -7.170 -10.019 -9.227 545 1HG ARG 68 2HG ARG 68 -7.106 -8.769 -11.083 546 2HG ARG 68 3HG ARG 68 -5.347 -8.633 -11.050 547 1HD ARG 68 2HD ARG 68 -6.352 -9.892 -13.009 548 2HD ARG 68 3HD ARG 68 -5.063 -10.707 -12.125 549 HE ARG 68 HE ARG 68 -6.556 -12.330 -11.531 550 1HH1 ARG 68 2HH1 ARG 68 -8.312 -9.515 -12.587 551 2HH1 ARG 68 1HH1 ARG 68 -9.857 -10.297 -12.532 552 1HH2 ARG 68 2HH2 ARG 68 -8.584 -13.371 -11.455 553 2HH2 ARG 68 1HH2 ARG 68 -10.011 -12.490 -11.887 554 H LYS 69 H LYS 69 -6.111 -10.787 -6.773 555 HA LYS 69 HA LYS 69 -8.188 -9.297 -5.618 556 1HB LYS 69 2HB LYS 69 -7.936 -10.903 -3.694 557 2HB LYS 69 3HB LYS 69 -8.145 -11.655 -5.270 558 1HG LYS 69 2HG LYS 69 -5.797 -12.153 -5.402 559 2HG LYS 69 3HG LYS 69 -5.489 -11.266 -3.907 560 1HD LYS 69 2HD LYS 69 -7.413 -13.563 -3.955 561 2HD LYS 69 3HD LYS 69 -5.676 -13.846 -3.821 562 1HE LYS 69 2HE LYS 69 -6.888 -11.834 -2.008 563 2HE LYS 69 3HE LYS 69 -7.242 -13.532 -1.692 564 1HZ LYS 69 1HZ LYS 69 -4.656 -13.729 -1.979 565 2HZ LYS 69 2HZ LYS 69 -5.339 -13.285 -0.497 566 3HZ LYS 69 3HZ LYS 69 -4.694 -12.101 -1.519 567 H LYS 70 H LYS 70 -4.761 -9.527 -4.834 568 HA LYS 70 HA LYS 70 -4.880 -8.075 -2.405 569 1HB LYS 70 2HB LYS 70 -2.481 -8.159 -4.221 570 2HB LYS 70 3HB LYS 70 -2.519 -8.051 -2.466 571 1HG LYS 70 2HG LYS 70 -3.841 -10.437 -3.140 572 2HG LYS 70 3HG LYS 70 -2.385 -10.367 -4.135 573 1HD LYS 70 2HD LYS 70 -1.815 -11.468 -2.094 574 2HD LYS 70 3HD LYS 70 -1.090 -9.859 -2.052 575 1HE LYS 70 2HE LYS 70 -2.444 -9.145 -0.375 576 2HE LYS 70 3HE LYS 70 -3.806 -10.128 -0.910 577 1HZ LYS 70 1HZ LYS 70 -1.470 -11.520 0.159 578 2HZ LYS 70 2HZ LYS 70 -3.111 -11.910 0.285 579 3HZ LYS 70 3HZ LYS 70 -2.454 -10.695 1.260 580 H VAL 71 H VAL 71 -3.896 -7.090 -5.687 581 HA VAL 71 HA VAL 71 -3.533 -4.365 -5.071 582 HB VAL 71 HB VAL 71 -3.549 -3.959 -7.462 583 1HG1 VAL 71 1HG1 VAL 71 -2.170 -6.498 -6.618 584 2HG1 VAL 71 2HG1 VAL 71 -1.866 -5.697 -8.160 585 3HG1 VAL 71 3HG1 VAL 71 -1.511 -4.863 -6.647 586 1HG2 VAL 71 1HG2 VAL 71 -4.579 -6.784 -7.718 587 2HG2 VAL 71 2HG2 VAL 71 -5.486 -5.311 -8.063 588 3HG2 VAL 71 3HG2 VAL 71 -4.094 -5.742 -9.056 589 H ARG 72 H ARG 72 -6.348 -6.227 -6.001 590 HA ARG 72 HA ARG 72 -8.036 -4.056 -6.659 591 1HB ARG 72 2HB ARG 72 -8.483 -6.921 -5.906 592 2HB ARG 72 3HB ARG 72 -9.854 -5.824 -5.996 593 1HG ARG 72 2HG ARG 72 -7.914 -6.190 -8.260 594 2HG ARG 72 3HG ARG 72 -9.365 -7.175 -8.065 595 1HD ARG 72 2HD ARG 72 -9.294 -4.170 -8.321 596 2HD ARG 72 3HD ARG 72 -9.734 -5.301 -9.600 597 HE ARG 72 HE ARG 72 -11.403 -5.841 -7.461 598 1HH1 ARG 72 2HH1 ARG 72 -10.731 -3.162 -9.581 599 2HH1 ARG 72 1HH1 ARG 72 -12.336 -2.515 -9.486 600 1HH2 ARG 72 2HH2 ARG 72 -13.519 -4.999 -7.328 601 2HH2 ARG 72 1HH2 ARG 72 -13.920 -3.560 -8.203 602 H GLU 73 H GLU 73 -7.777 -5.993 -3.677 603 HA GLU 73 HA GLU 73 -9.589 -4.359 -2.215 604 1HB GLU 73 2HB GLU 73 -8.971 -5.664 -0.298 605 2HB GLU 73 3HB GLU 73 -9.079 -6.745 -1.681 606 1HG GLU 73 2HG GLU 73 -6.613 -6.609 -1.911 607 2HG GLU 73 3HG GLU 73 -6.570 -5.661 -0.426 608 H LYS 74 H LYS 74 -6.108 -4.393 -2.642 609 HA LYS 74 HA LYS 74 -5.404 -2.666 -0.544 610 1HB LYS 74 2HB LYS 74 -3.792 -4.030 -1.843 611 2HB LYS 74 3HB LYS 74 -4.048 -2.978 -3.229 612 1HG LYS 74 2HG LYS 74 -2.031 -2.297 -2.197 613 2HG LYS 74 3HG LYS 74 -3.243 -1.072 -1.816 614 1HD LYS 74 2HD LYS 74 -2.290 -1.377 0.250 615 2HD LYS 74 3HD LYS 74 -3.600 -2.558 0.324 616 1HE LYS 74 2HE LYS 74 -1.904 -3.908 0.994 617 2HE LYS 74 3HE LYS 74 -1.710 -4.105 -0.747 618 1HZ LYS 74 1HZ LYS 74 0.416 -3.651 0.097 619 2HZ LYS 74 2HZ LYS 74 -0.134 -2.387 1.077 620 3HZ LYS 74 3HZ LYS 74 -0.092 -2.197 -0.603 621 H PHE 75 H PHE 75 -5.989 -1.948 -3.986 622 HA PHE 75 HA PHE 75 -5.784 0.871 -3.636 623 1HB PHE 75 2HB PHE 75 -5.845 0.924 -5.884 624 2HB PHE 75 3HB PHE 75 -5.806 -0.834 -5.803 625 HD1 PHE 75 HD1 PHE 75 -7.901 2.108 -6.363 626 HD2 PHE 75 HD2 PHE 75 -7.790 -2.145 -6.211 627 HE1 PHE 75 HE1 PHE 75 -10.088 2.014 -7.487 628 HE2 PHE 75 HE2 PHE 75 -9.976 -2.245 -7.335 629 HZ PHE 75 HZ PHE 75 -11.128 -0.164 -7.975 630 H ASP 76 H ASP 76 -8.430 -1.430 -3.610 631 HA ASP 76 HA ASP 76 -10.568 0.385 -3.776 632 1HB ASP 76 2HB ASP 76 -10.913 -2.001 -4.080 633 2HB ASP 76 3HB ASP 76 -10.411 -2.315 -2.421 634 H GLU 77 H GLU 77 -8.922 -1.005 -0.947 635 HA GLU 77 HA GLU 77 -10.485 0.420 0.954 636 1HB GLU 77 2HB GLU 77 -7.806 -0.956 1.182 637 2HB GLU 77 3HB GLU 77 -8.660 -0.255 2.549 638 1HG GLU 77 2HG GLU 77 -10.543 -1.770 2.133 639 2HG GLU 77 3HG GLU 77 -9.650 -2.492 0.796 640 H ASN 78 H ASN 78 -7.199 0.901 -0.319 641 HA ASN 78 HA ASN 78 -6.468 3.128 1.139 642 1HB ASN 78 2HB ASN 78 -5.769 2.161 -1.611 643 2HB ASN 78 3HB ASN 78 -5.174 3.726 -1.063 644 1HD2 ASN 78 1HD2 ASN 78 -3.094 2.627 -1.396 645 2HD2 ASN 78 2HD2 ASN 78 -2.440 1.701 -0.093 646 H SER 79 H SER 79 -8.449 2.937 -1.773 647 HA SER 79 HA SER 79 -8.667 5.782 -2.072 648 1HB SER 79 2HB SER 79 -9.966 3.410 -3.378 649 2HB SER 79 3HB SER 79 -10.608 5.030 -3.648 650 HG SER 79 HG SER 79 -9.092 5.201 -5.082 651 H ARG 80 H ARG 80 -10.708 3.212 -0.755 652 HA ARG 80 HA ARG 80 -12.911 4.925 -0.163 653 1HB ARG 80 2HB ARG 80 -13.971 3.047 0.606 654 2HB ARG 80 3HB ARG 80 -12.741 2.290 -0.397 655 1HG ARG 80 2HG ARG 80 -12.425 1.050 1.455 656 2HG ARG 80 3HG ARG 80 -11.400 2.411 1.914 657 1HD ARG 80 2HD ARG 80 -12.806 3.086 3.538 658 2HD ARG 80 3HD ARG 80 -14.243 2.714 2.586 659 HE ARG 80 HE ARG 80 -13.068 0.303 3.362 660 1HH1 ARG 80 2HH1 ARG 80 -14.663 3.044 4.797 661 2HH1 ARG 80 1HH1 ARG 80 -15.297 2.141 6.133 662 1HH2 ARG 80 2HH2 ARG 80 -13.897 -0.897 5.115 663 2HH2 ARG 80 1HH2 ARG 80 -14.860 -0.101 6.313 664 H MET 81 H MET 81 -9.884 4.611 1.213 665 HA MET 81 HA MET 81 -10.122 4.653 3.914 666 1HB MET 81 2HB MET 81 -8.328 6.108 2.028 667 2HB MET 81 3HB MET 81 -8.280 6.553 3.729 668 1HG MET 81 2HG MET 81 -7.902 3.752 2.702 669 2HG MET 81 3HG MET 81 -6.587 4.869 3.058 670 1HE MET 81 1HE MET 81 -7.958 1.718 5.009 671 2HE MET 81 2HE MET 81 -9.327 2.555 5.738 672 3HE MET 81 3HE MET 81 -9.126 2.554 3.986 673 H GLN 82 H GLN 82 -10.715 6.069 5.508 674 HA GLN 82 HA GLN 82 -12.773 7.870 5.037 675 1HB GLN 82 2HB GLN 82 -10.880 7.532 7.349 676 2HB GLN 82 3HB GLN 82 -12.129 8.769 7.363 677 1HG GLN 82 2HG GLN 82 -13.813 6.975 6.987 678 2HG GLN 82 3HG GLN 82 -12.519 5.793 7.182 679 1HE2 GLN 82 1HE2 GLN 82 -14.351 8.316 8.782 680 2HE2 GLN 82 2HE2 GLN 82 -14.041 7.781 10.395 681 H TYR 83 H TYR 83 -12.853 10.186 5.282 682 HA TYR 83 HA TYR 83 -11.106 11.567 3.628 683 1HB TYR 83 2HB TYR 83 -13.403 12.308 4.311 684 2HB TYR 83 3HB TYR 83 -12.731 12.788 5.866 685 HD1 TYR 83 HD1 TYR 83 -11.022 13.203 2.616 686 HD2 TYR 83 HD2 TYR 83 -13.192 15.116 5.736 687 HE1 TYR 83 HE1 TYR 83 -10.427 15.397 1.677 688 HE2 TYR 83 HE2 TYR 83 -12.604 17.315 4.805 689 HH TYR 83 HH TYR 83 -10.526 18.157 3.247 690 H SER 84 H SER 84 -11.095 11.257 7.150 691 HA SER 84 HA SER 84 -9.129 13.088 7.799 692 1HB SER 84 2HB SER 84 -9.259 10.404 9.153 693 2HB SER 84 3HB SER 84 -8.931 11.985 9.863 694 HG SER 84 HG SER 84 -11.184 10.834 9.942 695 H GLU 85 H GLU 85 -8.700 9.647 6.988 696 HA GLU 85 HA GLU 85 -5.849 9.797 7.045 697 1HB GLU 85 2HB GLU 85 -7.241 7.716 7.420 698 2HB GLU 85 3HB GLU 85 -7.524 7.687 5.686 699 1HG GLU 85 2HG GLU 85 -5.758 6.248 5.873 700 2HG GLU 85 3HG GLU 85 -4.925 7.765 5.542 701 H LEU 86 H LEU 86 -8.307 10.068 4.556 702 HA LEU 86 HA LEU 86 -6.648 9.864 2.301 703 1HB LEU 86 2HB LEU 86 -9.311 10.130 2.701 704 2HB LEU 86 3HB LEU 86 -8.904 11.748 2.131 705 HG LEU 86 HG LEU 86 -9.687 10.293 0.321 706 1HD1 LEU 86 1HD1 LEU 86 -7.776 10.654 -1.215 707 2HD1 LEU 86 2HD1 LEU 86 -6.786 11.095 0.177 708 3HD1 LEU 86 3HD1 LEU 86 -8.186 12.077 -0.256 709 1HD2 LEU 86 1HD2 LEU 86 -9.012 8.191 0.071 710 2HD2 LEU 86 2HD2 LEU 86 -8.135 8.355 1.593 711 3HD2 LEU 86 3HD2 LEU 86 -7.316 8.675 0.064 712 H MET 87 H MET 87 -7.605 12.655 4.258 713 HA MET 87 HA MET 87 -6.116 14.505 2.627 714 1HB MET 87 2HB MET 87 -7.960 14.652 4.895 715 2HB MET 87 3HB MET 87 -6.643 15.813 4.997 716 1HG MET 87 2HG MET 87 -8.477 15.495 2.633 717 2HG MET 87 3HG MET 87 -8.656 16.708 3.899 718 1HE MET 87 1HE MET 87 -7.965 16.735 0.418 719 2HE MET 87 2HE MET 87 -6.247 17.032 0.154 720 3HE MET 87 3HE MET 87 -6.785 15.484 0.808 721 H THR 88 H THR 88 -5.601 12.681 5.560 722 HA THR 88 HA THR 88 -3.336 14.101 6.496 723 HB THR 88 HB THR 88 -4.267 11.274 7.003 724 HG1 THR 88 HG1 THR 88 -4.181 13.409 8.856 725 1HG2 THR 88 1HG2 THR 88 -1.991 12.786 8.291 726 2HG2 THR 88 2HG2 THR 88 -1.864 11.323 7.314 727 3HG2 THR 88 3HG2 THR 88 -2.660 11.267 8.886 728 H LYS 89 H LYS 89 -3.654 11.107 4.600 729 HA LYS 89 HA LYS 89 -0.861 10.725 4.271 730 1HB LYS 89 2HB LYS 89 -3.287 9.393 3.495 731 2HB LYS 89 3HB LYS 89 -2.212 9.507 2.108 732 1HG LYS 89 2HG LYS 89 -1.799 7.439 3.229 733 2HG LYS 89 3HG LYS 89 -0.412 8.499 3.485 734 1HD LYS 89 2HD LYS 89 -2.527 8.672 5.526 735 2HD LYS 89 3HD LYS 89 -1.669 7.131 5.455 736 1HE LYS 89 2HE LYS 89 0.229 9.249 5.253 737 2HE LYS 89 3HE LYS 89 -0.826 9.568 6.630 738 1HZ LYS 89 1HZ LYS 89 -0.281 7.484 7.578 739 2HZ LYS 89 2HZ LYS 89 1.183 8.200 7.127 740 3HZ LYS 89 3HZ LYS 89 0.520 6.964 6.182 741 H TYR 90 H TYR 90 -2.968 12.972 2.944 742 HA TYR 90 HA TYR 90 -1.425 13.265 0.472 743 1HB TYR 90 2HB TYR 90 -3.671 13.416 -0.086 744 2HB TYR 90 3HB TYR 90 -4.094 14.251 1.404 745 HD1 TYR 90 HD1 TYR 90 -4.041 16.631 1.542 746 HD2 TYR 90 HD2 TYR 90 -2.578 14.663 -1.936 747 HE1 TYR 90 HE1 TYR 90 -3.971 18.786 0.359 748 HE2 TYR 90 HE2 TYR 90 -2.504 16.813 -3.128 749 HH TYR 90 HH TYR 90 -3.117 18.975 -3.065 750 H HIS 91 H HIS 91 -2.408 15.102 3.339 751 HA HIS 91 HA HIS 91 -0.596 17.271 2.615 752 1HB HIS 91 2HB HIS 91 -2.743 17.990 3.409 753 2HB HIS 91 3HB HIS 91 -2.623 16.963 4.834 754 HD1 HIS 91 HD1 HIS 91 -1.351 20.189 3.410 755 HD2 HIS 91 HD2 HIS 91 -1.163 18.025 6.951 756 HE1 HIS 91 HE1 HIS 91 -0.356 21.758 5.104 757 H ASP 92 H ASP 92 -1.229 15.314 5.532 758 HA ASP 92 HA ASP 92 1.078 16.006 6.922 759 1HB ASP 92 2HB ASP 92 -1.070 14.211 7.273 760 2HB ASP 92 3HB ASP 92 0.402 13.258 7.445 761 H LEU 93 H LEU 93 0.635 13.814 4.274 762 HA LEU 93 HA LEU 93 3.305 12.677 4.628 763 1HB LEU 93 2HB LEU 93 0.873 11.707 3.591 764 2HB LEU 93 3HB LEU 93 1.995 11.803 2.235 765 HG LEU 93 HG LEU 93 2.273 10.185 4.758 766 1HD1 LEU 93 1HD1 LEU 93 1.032 9.548 2.456 767 2HD1 LEU 93 2HD1 LEU 93 1.852 8.375 3.486 768 3HD1 LEU 93 3HD1 LEU 93 2.677 9.038 2.075 769 1HD2 LEU 93 1HD2 LEU 93 4.456 10.841 4.546 770 2HD2 LEU 93 2HD2 LEU 93 4.330 11.091 2.805 771 3HD2 LEU 93 3HD2 LEU 93 4.438 9.455 3.456 772 H LYS 94 H LYS 94 1.705 15.147 2.926 773 HA LYS 94 HA LYS 94 3.139 15.258 0.529 774 1HB LYS 94 2HB LYS 94 1.721 16.953 0.229 775 2HB LYS 94 3HB LYS 94 1.283 16.900 1.932 776 1HG LYS 94 2HG LYS 94 3.820 18.220 1.551 777 2HG LYS 94 3HG LYS 94 2.547 18.974 0.588 778 1HD LYS 94 2HD LYS 94 2.061 20.084 2.478 779 2HD LYS 94 3HD LYS 94 1.280 18.580 2.971 780 1HE LYS 94 2HE LYS 94 3.163 17.904 4.229 781 2HE LYS 94 3HE LYS 94 4.186 19.141 3.502 782 1HZ LYS 94 1HZ LYS 94 2.597 19.313 5.819 783 2HZ LYS 94 2HZ LYS 94 2.041 20.446 4.694 784 3HZ LYS 94 3HZ LYS 94 3.661 20.463 5.180 785 H LYS 95 H LYS 95 4.034 16.134 3.766 786 HA LYS 95 HA LYS 95 6.252 17.789 3.070 787 1HB LYS 95 2HB LYS 95 5.094 17.887 5.267 788 2HB LYS 95 3HB LYS 95 5.734 16.294 5.647 789 1HG LYS 95 2HG LYS 95 7.209 17.690 6.730 790 2HG LYS 95 3HG LYS 95 8.041 17.383 5.204 791 1HD LYS 95 2HD LYS 95 6.219 19.682 5.154 792 2HD LYS 95 3HD LYS 95 7.579 19.853 6.266 793 1HE LYS 95 2HE LYS 95 8.079 18.861 3.498 794 2HE LYS 95 3HE LYS 95 7.789 20.581 3.751 795 1HZ LYS 95 1HZ LYS 95 9.598 20.525 5.429 796 2HZ LYS 95 2HZ LYS 95 10.119 20.197 3.853 797 3HZ LYS 95 3HZ LYS 95 9.937 18.934 4.964 798 H GLN 96 H GLN 96 5.846 14.370 3.843 799 HA GLN 96 HA GLN 96 8.676 13.835 3.704 800 1HB GLN 96 2HB GLN 96 6.274 12.018 3.916 801 2HB GLN 96 3HB GLN 96 7.935 11.440 3.893 802 1HG GLN 96 2HG GLN 96 7.040 13.462 5.907 803 2HG GLN 96 3HG GLN 96 6.751 11.740 6.153 804 1HE2 GLN 96 1HE2 GLN 96 8.682 14.064 7.115 805 2HE2 GLN 96 2HE2 GLN 96 10.176 13.218 7.298 806 H GLY 97 H GLY 97 5.926 13.697 1.566 807 1HA GLY 97 2HA GLY 97 7.691 12.621 -0.547 808 2HA GLY 97 3HA GLY 97 5.968 12.285 -0.467 809 H LYS 98 H LYS 98 5.717 13.093 -2.593 810 HA LYS 98 HA LYS 98 5.337 15.971 -2.657 811 1HB LYS 98 2HB LYS 98 6.546 16.225 -4.798 812 2HB LYS 98 3HB LYS 98 7.613 15.773 -3.475 813 1HG LYS 98 2HG LYS 98 8.391 14.321 -5.013 814 2HG LYS 98 3HG LYS 98 7.054 13.336 -4.414 815 1HD LYS 98 2HD LYS 98 5.722 14.667 -6.277 816 2HD LYS 98 3HD LYS 98 7.334 14.811 -6.982 817 1HE LYS 98 2HE LYS 98 6.633 12.847 -7.934 818 2HE LYS 98 3HE LYS 98 7.432 12.235 -6.486 819 1HZ LYS 98 1HZ LYS 98 4.526 12.565 -6.954 820 2HZ LYS 98 2HZ LYS 98 5.175 12.300 -5.415 821 3HZ LYS 98 3HZ LYS 98 5.372 11.137 -6.627 822 H ILE 99 H ILE 99 4.032 16.672 -4.476 823 HA ILE 99 HA ILE 99 2.693 14.569 -5.992 824 HB ILE 99 HB ILE 99 1.271 14.724 -4.062 825 1HG1 ILE 99 2HG1 ILE 99 -0.027 16.370 -6.238 826 2HG1 ILE 99 3HG1 ILE 99 0.249 14.637 -6.373 827 1HG2 ILE 99 1HG2 ILE 99 2.060 17.440 -4.071 828 2HG2 ILE 99 2HG2 ILE 99 0.303 17.396 -4.204 829 3HG2 ILE 99 3HG2 ILE 99 1.105 16.582 -2.862 830 1HD1 ILE 99 1HD1 ILE 99 -1.182 15.579 -3.967 831 2HD1 ILE 99 2HD1 ILE 99 -2.037 15.672 -5.508 832 3HD1 ILE 99 3HD1 ILE 99 -1.416 14.124 -4.936 833 H LYS 100 H LYS 100 1.861 15.239 -7.940 834 HA LYS 100 HA LYS 100 2.191 18.091 -8.601 835 1HB LYS 100 2HB LYS 100 2.798 15.746 -10.412 836 2HB LYS 100 3HB LYS 100 2.953 17.446 -10.835 837 1HG LYS 100 2HG LYS 100 4.464 16.373 -8.499 838 2HG LYS 100 3HG LYS 100 5.046 16.065 -10.137 839 1HD LYS 100 2HD LYS 100 6.128 18.030 -9.733 840 2HD LYS 100 3HD LYS 100 4.614 18.674 -10.371 841 1HE LYS 100 2HE LYS 100 3.846 19.293 -8.272 842 2HE LYS 100 3HE LYS 100 4.919 18.169 -7.438 843 1HZ LYS 100 1HZ LYS 100 5.352 20.828 -7.755 844 2HZ LYS 100 2HZ LYS 100 6.329 20.152 -8.958 845 3HZ LYS 100 3HZ LYS 100 6.529 19.684 -7.345 846 H ASP 101 H ASP 101 0.649 19.015 -9.909 847 HA ASP 101 HA ASP 101 -1.747 17.376 -10.379 848 1HB ASP 101 2HB ASP 101 -2.096 19.286 -8.889 849 2HB ASP 101 3HB ASP 101 -1.473 20.378 -10.123 850 H ARG 102 H ARG 102 -1.141 16.514 -12.375 851 HA ARG 102 HA ARG 102 -0.263 18.160 -14.541 852 1HB ARG 102 2HB ARG 102 -0.970 15.297 -14.168 853 2HB ARG 102 3HB ARG 102 -1.045 15.936 -15.804 854 1HG ARG 102 2HG ARG 102 1.334 16.830 -15.294 855 2HG ARG 102 3HG ARG 102 1.314 15.627 -14.003 856 1HD ARG 102 2HD ARG 102 0.877 13.867 -15.608 857 2HD ARG 102 3HD ARG 102 0.779 15.048 -16.913 858 HE ARG 102 HE ARG 102 3.281 15.147 -15.535 859 1HH1 ARG 102 2HH1 ARG 102 1.478 13.459 -17.988 860 2HH1 ARG 102 1HH1 ARG 102 2.888 12.916 -18.836 861 1HH2 ARG 102 2HH2 ARG 102 5.145 14.439 -16.642 862 2HH2 ARG 102 1HH2 ARG 102 4.973 13.473 -18.069 863 HA PRO 103 HA PRO 103 -4.046 19.516 -16.300 864 1HB PRO 103 2HB PRO 103 -3.576 19.260 -18.961 865 2HB PRO 103 3HB PRO 103 -2.807 20.501 -17.966 866 1HG PRO 103 2HG PRO 103 -1.717 17.871 -18.890 867 2HG PRO 103 3HG PRO 103 -0.922 19.455 -18.837 868 1HD PRO 103 2HD PRO 103 -0.508 17.553 -16.954 869 2HD PRO 103 3HD PRO 103 -0.463 19.289 -16.584 870 H VAL 104 H VAL 104 -6.022 18.769 -16.932 871 HA VAL 104 HA VAL 104 -6.353 15.913 -17.135 872 HB VAL 104 HB VAL 104 -7.925 17.364 -15.850 873 1HG1 VAL 104 1HG1 VAL 104 -7.891 19.122 -17.759 874 2HG1 VAL 104 2HG1 VAL 104 -9.188 18.142 -18.447 875 3HG1 VAL 104 3HG1 VAL 104 -9.378 18.862 -16.848 876 1HG2 VAL 104 1HG2 VAL 104 -9.215 15.810 -18.091 877 2HG2 VAL 104 2HG2 VAL 104 -8.541 15.102 -16.623 878 3HG2 VAL 104 3HG2 VAL 104 -9.930 16.184 -16.523 879 H LYS 105 H LYS 105 -6.845 14.733 -18.902 880 HA LYS 105 HA LYS 105 -6.628 16.050 -21.488 881 1HB LYS 105 2HB LYS 105 -6.169 13.356 -20.437 882 2HB LYS 105 3HB LYS 105 -6.984 13.364 -21.995 883 1HG LYS 105 2HG LYS 105 -4.425 14.844 -21.435 884 2HG LYS 105 3HG LYS 105 -4.502 13.217 -22.117 885 1HD LYS 105 2HD LYS 105 -5.566 13.984 -24.079 886 2HD LYS 105 3HD LYS 105 -5.936 15.552 -23.358 887 1HE LYS 105 2HE LYS 105 -3.758 16.307 -23.569 888 2HE LYS 105 3HE LYS 105 -3.093 14.676 -23.646 889 1HZ LYS 105 1HZ LYS 105 -3.177 14.758 -25.842 890 2HZ LYS 105 2HZ LYS 105 -3.733 16.354 -25.767 891 3HZ LYS 105 3HZ LYS 105 -4.839 15.074 -25.817 892 H GLU 106 H GLU 106 -8.190 16.024 -23.078 893 HA GLU 106 HA GLU 106 -10.908 15.787 -22.146 894 1HB GLU 106 2HB GLU 106 -9.633 16.694 -24.711 895 2HB GLU 106 3HB GLU 106 -11.369 16.431 -24.614 896 1HG GLU 106 2HG GLU 106 -9.835 18.278 -22.803 897 2HG GLU 106 3HG GLU 106 -10.669 18.785 -24.270 898 H VAL 107 H VAL 107 -12.376 14.244 -22.642 899 HA VAL 107 HA VAL 107 -11.404 11.947 -24.209 900 HB VAL 107 HB VAL 107 -13.216 12.135 -21.834 901 1HG1 VAL 107 1HG1 VAL 107 -13.735 9.664 -22.338 902 2HG1 VAL 107 2HG1 VAL 107 -14.645 10.905 -23.202 903 3HG1 VAL 107 3HG1 VAL 107 -13.314 10.068 -24.002 904 1HG2 VAL 107 1HG2 VAL 107 -11.239 11.454 -20.999 905 2HG2 VAL 107 2HG2 VAL 107 -11.755 9.871 -21.580 906 3HG2 VAL 107 3HG2 VAL 107 -10.667 10.857 -22.557 907 H HIS 108 H HIS 108 -12.619 11.119 -25.852 908 HA HIS 108 HA HIS 108 -15.135 12.518 -26.482 909 1HB HIS 108 2HB HIS 108 -12.839 12.737 -27.945 910 2HB HIS 108 3HB HIS 108 -13.642 11.399 -28.761 911 HD1 HIS 108 HD1 HIS 108 -14.839 14.773 -27.441 912 HD2 HIS 108 HD2 HIS 108 -15.079 12.368 -30.820 913 HE1 HIS 108 HE1 HIS 108 -16.271 16.044 -29.071 914 H GLU 109 H GLU 109 -16.261 11.162 -28.373 915 HA GLU 109 HA GLU 109 -16.923 8.646 -27.160 916 1HB GLU 109 2HB GLU 109 -17.884 9.473 -29.876 917 2HB GLU 109 3HB GLU 109 -18.727 8.562 -28.632 918 1HG GLU 109 2HG GLU 109 -18.835 10.631 -27.267 919 2HG GLU 109 3HG GLU 109 -18.131 11.510 -28.623 920 H GLU 110 H GLU 110 -15.879 6.809 -27.493 921 HA GLU 110 HA GLU 110 -15.364 5.597 -29.896 922 1HB GLU 110 2HB GLU 110 -13.495 7.707 -29.418 923 2HB GLU 110 3HB GLU 110 -12.641 6.172 -29.334 924 1HG GLU 110 2HG GLU 110 -12.906 5.744 -31.531 925 2HG GLU 110 3HG GLU 110 -14.495 6.503 -31.601 926 H TYR 111 H TYR 111 -13.067 4.179 -29.532 927 HA TYR 111 HA TYR 111 -13.478 2.926 -26.896 928 1HB TYR 111 2HB TYR 111 -12.745 1.631 -29.530 929 2HB TYR 111 3HB TYR 111 -12.783 0.793 -27.983 930 HD1 TYR 111 HD1 TYR 111 -14.711 1.932 -30.793 931 HD2 TYR 111 HD2 TYR 111 -14.987 0.619 -26.756 932 HE1 TYR 111 HE1 TYR 111 -17.102 1.456 -31.118 933 HE2 TYR 111 HE2 TYR 111 -17.379 0.138 -27.070 934 HH TYR 111 HH TYR 111 -19.163 1.283 -29.631 935 H ASP 112 H ASP 112 -11.839 4.116 -25.892 936 HA ASP 112 HA ASP 112 -9.112 3.423 -26.768 937 1HB ASP 112 2HB ASP 112 -9.455 5.788 -27.125 938 2HB ASP 112 3HB ASP 112 -10.089 5.984 -25.493 939 H LEU 113 H LEU 113 -10.420 4.947 -23.836 940 HA LEU 113 HA LEU 113 -8.696 3.656 -22.069 941 1HB LEU 113 2HB LEU 113 -10.515 4.224 -20.354 942 2HB LEU 113 3HB LEU 113 -9.738 5.545 -21.225 943 HG LEU 113 HG LEU 113 -12.220 4.544 -22.445 944 1HD1 LEU 113 1HD1 LEU 113 -12.517 6.242 -20.002 945 2HD1 LEU 113 2HD1 LEU 113 -12.524 4.484 -19.874 946 3HD1 LEU 113 3HD1 LEU 113 -13.732 5.300 -20.866 947 1HD2 LEU 113 1HD2 LEU 113 -12.150 7.334 -21.819 948 2HD2 LEU 113 2HD2 LEU 113 -12.087 6.544 -23.394 949 3HD2 LEU 113 3HD2 LEU 113 -10.598 6.843 -22.497 950 H TRP 114 H TRP 114 -9.912 2.410 -20.088 951 HA TRP 114 HA TRP 114 -10.319 -0.199 -21.023 952 1HB TRP 114 2HB TRP 114 -11.030 1.057 -18.365 953 2HB TRP 114 3HB TRP 114 -11.097 -0.673 -18.689 954 HD1 TRP 114 HD1 TRP 114 -8.969 1.502 -16.925 955 HE1 TRP 114 HE1 TRP 114 -6.505 0.757 -16.945 956 HE3 TRP 114 HE3 TRP 114 -9.147 -1.787 -20.835 957 HZ2 TRP 114 HZ2 TRP 114 -4.855 -0.993 -18.423 958 HZ3 TRP 114 HZ3 TRP 114 -7.082 -2.955 -21.488 959 HH2 TRP 114 HH2 TRP 114 -4.982 -2.564 -20.306 960 H GLU 115 H GLU 115 -12.640 2.258 -19.942 961 HA GLU 115 HA GLU 115 -14.943 2.244 -19.941 962 1HB GLU 115 2HB GLU 115 -13.930 1.789 -22.678 963 2HB GLU 115 3HB GLU 115 -15.643 1.470 -22.444 964 1HG GLU 115 2HG GLU 115 -15.451 3.847 -21.214 965 2HG GLU 115 3HG GLU 115 -14.165 4.016 -22.408 966 H ASP 116 H ASP 116 -15.118 0.460 -18.427 967 HA ASP 116 HA ASP 116 -16.946 -1.487 -19.219 968 1HB ASP 116 2HB ASP 116 -15.520 -2.886 -20.312 969 2HB ASP 116 3HB ASP 116 -14.102 -2.271 -19.466 970 HA PRO 117 HA PRO 117 -15.392 -2.543 -14.772 971 1HB PRO 117 2HB PRO 117 -13.183 -1.243 -13.877 972 2HB PRO 117 3HB PRO 117 -13.107 -2.782 -14.744 973 1HG PRO 117 2HG PRO 117 -12.673 -0.004 -15.773 974 2HG PRO 117 3HG PRO 117 -11.748 -1.479 -16.109 975 1HD PRO 117 2HD PRO 117 -13.592 -0.491 -17.829 976 2HD PRO 117 3HD PRO 117 -13.273 -2.229 -17.667 977 H ILE 118 H ILE 118 -14.305 0.795 -15.440 978 HA ILE 118 HA ILE 118 -15.678 1.807 -13.120 979 HB ILE 118 HB ILE 118 -14.715 3.880 -13.572 980 1HG1 ILE 118 2HG1 ILE 118 -15.596 4.030 -15.906 981 2HG1 ILE 118 3HG1 ILE 118 -13.954 4.640 -15.733 982 1HG2 ILE 118 1HG2 ILE 118 -13.035 2.188 -13.052 983 2HG2 ILE 118 2HG2 ILE 118 -12.829 1.857 -14.771 984 3HG2 ILE 118 3HG2 ILE 118 -12.377 3.430 -14.116 985 1HD1 ILE 118 1HD1 ILE 118 -14.140 3.358 -17.755 986 2HD1 ILE 118 2HD1 ILE 118 -13.108 2.499 -16.611 987 3HD1 ILE 118 3HD1 ILE 118 -14.773 1.975 -16.862 988 H TRP 119 H TRP 119 -16.500 1.193 -16.363 989 HA TRP 119 HA TRP 119 -18.339 3.229 -16.907 990 1HB TRP 119 2HB TRP 119 -17.410 1.282 -18.404 991 2HB TRP 119 3HB TRP 119 -18.839 0.424 -17.834 992 HD1 TRP 119 HD1 TRP 119 -18.115 3.895 -19.441 993 HE1 TRP 119 HE1 TRP 119 -19.998 4.384 -21.127 994 HE3 TRP 119 HE3 TRP 119 -20.949 -0.302 -18.736 995 HZ2 TRP 119 HZ2 TRP 119 -22.370 3.154 -22.037 996 HZ3 TRP 119 HZ3 TRP 119 -23.010 -0.569 -20.053 997 HH2 TRP 119 HH2 TRP 119 -23.704 1.125 -21.669 998 H GLN 120 H GLN 120 -18.552 0.463 -14.834 999 HA GLN 120 HA GLN 120 -21.358 1.149 -14.259 1000 1HB GLN 120 2HB GLN 120 -21.224 -1.409 -13.408 1001 2HB GLN 120 3HB GLN 120 -21.760 -0.945 -15.018 1002 1HG GLN 120 2HG GLN 120 -19.821 -1.643 -16.018 1003 2HG GLN 120 3HG GLN 120 -18.863 -1.437 -14.553 1004 1HE2 GLN 120 1HE2 GLN 120 -17.995 -3.519 -14.860 1005 2HE2 GLN 120 2HE2 GLN 120 -18.904 -4.935 -14.468 1006 H TYR 121 H TYR 121 -18.986 -0.979 -12.685 1007 HA TYR 121 HA TYR 121 -19.676 0.133 -10.107 1008 1HB TYR 121 2HB TYR 121 -19.101 -2.355 -10.746 1009 2HB TYR 121 3HB TYR 121 -17.443 -1.822 -10.494 1010 HD1 TYR 121 HD1 TYR 121 -16.659 -2.591 -8.468 1011 HD2 TYR 121 HD2 TYR 121 -20.651 -1.136 -8.697 1012 HE1 TYR 121 HE1 TYR 121 -16.915 -2.928 -6.045 1013 HE2 TYR 121 HE2 TYR 121 -20.917 -1.468 -6.274 1014 HH TYR 121 HH TYR 121 -18.734 -1.642 -4.190 1015 H ILE 122 H ILE 122 -18.509 1.530 -8.923 1016 HA ILE 122 HA ILE 122 -16.975 3.137 -8.424 1017 HB ILE 122 HB ILE 122 -15.057 1.136 -9.626 1018 1HG1 ILE 122 2HG1 ILE 122 -15.216 1.473 -6.706 1019 2HG1 ILE 122 3HG1 ILE 122 -16.663 0.792 -7.441 1020 1HG2 ILE 122 1HG2 ILE 122 -13.691 2.518 -7.701 1021 2HG2 ILE 122 2HG2 ILE 122 -13.588 2.812 -9.436 1022 3HG2 ILE 122 3HG2 ILE 122 -14.678 3.778 -8.441 1023 1HD1 ILE 122 1HD1 ILE 122 -15.367 -0.998 -8.409 1024 2HD1 ILE 122 2HD1 ILE 122 -13.878 -0.291 -7.781 1025 3HD1 ILE 122 3HD1 ILE 122 -15.093 -0.921 -6.669 Start of MODEL 15 1 H MET 1 H MET 1 4.205 -4.374 -2.317 2 HA MET 1 HA MET 1 3.720 -6.704 -4.052 3 1HB MET 1 2HB MET 1 3.847 -6.747 -1.363 4 2HB MET 1 3HB MET 1 2.140 -6.377 -1.566 5 1HG MET 1 2HG MET 1 1.748 -8.373 -2.759 6 2HG MET 1 3HG MET 1 3.472 -8.676 -2.959 7 1HE MET 1 1HE MET 1 3.984 -10.571 -2.315 8 2HE MET 1 2HE MET 1 4.372 -10.971 -0.642 9 3HE MET 1 3HE MET 1 2.878 -11.566 -1.367 10 H GLN 2 H GLN 2 2.150 -3.954 -2.450 11 HA GLN 2 HA GLN 2 -0.288 -4.304 -3.947 12 1HB GLN 2 2HB GLN 2 0.479 -1.876 -2.338 13 2HB GLN 2 3HB GLN 2 -1.135 -2.458 -2.723 14 1HG GLN 2 2HG GLN 2 0.828 -3.537 -0.740 15 2HG GLN 2 3HG GLN 2 -0.836 -3.012 -0.485 16 1HE2 GLN 2 1HE2 GLN 2 0.506 -5.537 0.183 17 2HE2 GLN 2 2HE2 GLN 2 -0.426 -6.778 -0.577 18 H LYS 3 H LYS 3 1.321 -4.213 -5.927 19 HA LYS 3 HA LYS 3 0.640 -1.931 -7.414 20 1HB LYS 3 2HB LYS 3 2.909 -0.968 -7.738 21 2HB LYS 3 3HB LYS 3 2.289 -0.753 -6.106 22 1HG LYS 3 2HG LYS 3 3.624 -3.011 -5.711 23 2HG LYS 3 3HG LYS 3 4.553 -2.397 -7.081 24 1HD LYS 3 2HD LYS 3 5.603 -1.617 -5.082 25 2HD LYS 3 3HD LYS 3 4.799 -0.238 -5.837 26 1HE LYS 3 2HE LYS 3 3.082 -0.224 -4.251 27 2HE LYS 3 3HE LYS 3 3.435 -1.868 -3.721 28 1HZ LYS 3 1HZ LYS 3 4.410 0.545 -2.677 29 2HZ LYS 3 2HZ LYS 3 5.721 -0.322 -3.302 30 3HZ LYS 3 3HZ LYS 3 4.715 -1.031 -2.141 31 H GLY 4 H GLY 4 1.323 -2.059 -9.613 32 1HA GLY 4 2HA GLY 4 2.682 -3.142 -11.315 33 2HA GLY 4 3HA GLY 4 2.667 -4.591 -10.320 34 H LEU 5 H LEU 5 -0.275 -2.826 -10.586 35 HA LEU 5 HA LEU 5 -1.250 -4.624 -12.690 36 1HB LEU 5 2HB LEU 5 -2.195 -4.401 -9.895 37 2HB LEU 5 3HB LEU 5 -3.433 -4.520 -11.144 38 HG LEU 5 HG LEU 5 -2.970 -6.703 -10.213 39 1HD1 LEU 5 1HD1 LEU 5 -3.364 -6.300 -12.726 40 2HD1 LEU 5 2HD1 LEU 5 -2.782 -7.881 -12.205 41 3HD1 LEU 5 3HD1 LEU 5 -1.659 -6.715 -12.906 42 1HD2 LEU 5 1HD2 LEU 5 -0.265 -6.959 -11.289 43 2HD2 LEU 5 2HD2 LEU 5 -0.931 -7.499 -9.748 44 3HD2 LEU 5 3HD2 LEU 5 -0.392 -5.830 -9.941 45 H GLU 6 H GLU 6 -3.275 -3.903 -13.675 46 HA GLU 6 HA GLU 6 -3.366 -0.982 -13.796 47 1HB GLU 6 2HB GLU 6 -4.832 -2.881 -15.616 48 2HB GLU 6 3HB GLU 6 -4.392 -1.206 -15.917 49 1HG GLU 6 2HG GLU 6 -2.057 -1.807 -16.064 50 2HG GLU 6 3HG GLU 6 -2.437 -3.479 -15.654 51 H ILE 7 H ILE 7 -5.014 0.178 -13.026 52 HA ILE 7 HA ILE 7 -7.596 -1.104 -12.548 53 HB ILE 7 HB ILE 7 -7.595 0.224 -10.290 54 1HG1 ILE 7 2HG1 ILE 7 -5.163 1.009 -10.972 55 2HG1 ILE 7 3HG1 ILE 7 -5.572 0.686 -9.290 56 1HG2 ILE 7 1HG2 ILE 7 -6.483 -1.862 -9.218 57 2HG2 ILE 7 2HG2 ILE 7 -7.971 -2.051 -10.145 58 3HG2 ILE 7 3HG2 ILE 7 -6.419 -2.460 -10.876 59 1HD1 ILE 7 1HD1 ILE 7 -4.467 -1.516 -10.956 60 2HD1 ILE 7 2HD1 ILE 7 -3.386 -0.267 -10.339 61 3HD1 ILE 7 3HD1 ILE 7 -4.340 -1.240 -9.220 62 H ALA 8 H ALA 8 -9.352 0.313 -12.505 63 HA ALA 8 HA ALA 8 -8.736 3.061 -13.378 64 1HB ALA 8 1HB ALA 8 -10.079 1.176 -14.807 65 2HB ALA 8 2HB ALA 8 -11.405 2.030 -14.015 66 3HB ALA 8 3HB ALA 8 -10.259 2.918 -15.019 67 H PHE 9 H PHE 9 -9.951 4.764 -12.552 68 HA PHE 9 HA PHE 9 -11.684 4.107 -10.263 69 1HB PHE 9 2HB PHE 9 -9.301 5.078 -9.792 70 2HB PHE 9 3HB PHE 9 -10.021 6.603 -10.297 71 HD1 PHE 9 HD1 PHE 9 -11.267 3.757 -8.231 72 HD2 PHE 9 HD2 PHE 9 -10.425 7.923 -8.467 73 HE1 PHE 9 HE1 PHE 9 -12.183 4.067 -5.968 74 HE2 PHE 9 HE2 PHE 9 -11.339 8.239 -6.204 75 HZ PHE 9 HZ PHE 9 -12.219 6.310 -4.952 76 H GLN 10 H GLN 10 -13.571 5.207 -10.098 77 HA GLN 10 HA GLN 10 -14.142 7.164 -12.221 78 1HB GLN 10 2HB GLN 10 -15.500 5.154 -12.397 79 2HB GLN 10 3HB GLN 10 -16.016 5.326 -10.724 80 1HG GLN 10 2HG GLN 10 -17.812 6.112 -11.979 81 2HG GLN 10 3HG GLN 10 -16.989 7.569 -11.423 82 1HE2 GLN 10 1HE2 GLN 10 -16.700 9.069 -12.897 83 2HE2 GLN 10 2HE2 GLN 10 -16.597 8.820 -14.603 84 H THR 11 H THR 11 -14.215 9.193 -11.548 85 HA THR 11 HA THR 11 -15.356 9.759 -8.893 86 HB THR 11 HB THR 11 -13.044 10.130 -8.567 87 HG1 THR 11 HG1 THR 11 -13.934 12.720 -9.300 88 1HG2 THR 11 1HG2 THR 11 -12.223 12.041 -10.430 89 2HG2 THR 11 2HG2 THR 11 -13.086 10.825 -11.371 90 3HG2 THR 11 3HG2 THR 11 -11.726 10.352 -10.354 91 H ILE 12 H ILE 12 -16.208 11.960 -8.664 92 HA ILE 12 HA ILE 12 -16.682 13.532 -11.020 93 HB ILE 12 HB ILE 12 -19.272 13.342 -10.508 94 1HG1 ILE 12 2HG1 ILE 12 -19.927 11.022 -10.036 95 2HG1 ILE 12 3HG1 ILE 12 -18.235 10.578 -9.838 96 1HG2 ILE 12 1HG2 ILE 12 -18.305 11.073 -12.133 97 2HG2 ILE 12 2HG2 ILE 12 -19.435 12.362 -12.541 98 3HG2 ILE 12 3HG2 ILE 12 -17.699 12.671 -12.570 99 1HD1 ILE 12 1HD1 ILE 12 -18.043 11.875 -7.864 100 2HD1 ILE 12 2HD1 ILE 12 -19.620 12.621 -8.127 101 3HD1 ILE 12 3HD1 ILE 12 -19.511 10.909 -7.719 102 H ASN 13 H ASN 13 -18.526 15.231 -10.407 103 HA ASN 13 HA ASN 13 -17.528 16.890 -8.459 104 1HB ASN 13 2HB ASN 13 -20.274 16.658 -9.666 105 2HB ASN 13 3HB ASN 13 -19.917 17.881 -8.450 106 1HD2 ASN 13 1HD2 ASN 13 -20.445 19.409 -10.115 107 2HD2 ASN 13 2HD2 ASN 13 -19.255 19.844 -11.290 108 H GLY 14 H GLY 14 -17.153 16.234 -6.421 109 1HA GLY 14 2HA GLY 14 -19.213 16.042 -4.546 110 2HA GLY 14 3HA GLY 14 -18.755 14.403 -4.985 111 H LEU 15 H LEU 15 -17.364 13.522 -3.623 112 HA LEU 15 HA LEU 15 -15.329 15.253 -2.382 113 1HB LEU 15 2HB LEU 15 -17.109 13.182 -1.197 114 2HB LEU 15 3HB LEU 15 -15.487 13.378 -0.536 115 HG LEU 15 HG LEU 15 -15.957 15.648 0.094 116 1HD1 LEU 15 1HD1 LEU 15 -18.485 16.324 -0.223 117 2HD1 LEU 15 2HD1 LEU 15 -18.354 15.252 -1.617 118 3HD1 LEU 15 3HD1 LEU 15 -17.282 16.645 -1.472 119 1HD2 LEU 15 1HD2 LEU 15 -16.615 14.203 1.796 120 2HD2 LEU 15 2HD2 LEU 15 -17.996 13.597 0.881 121 3HD2 LEU 15 3HD2 LEU 15 -18.032 15.226 1.557 122 H ASP 16 H ASP 16 -15.293 13.513 -4.809 123 HA ASP 16 HA ASP 16 -13.368 11.457 -4.006 124 1HB ASP 16 2HB ASP 16 -15.047 11.913 -6.442 125 2HB ASP 16 3HB ASP 16 -13.584 10.942 -6.576 126 H GLU 17 H GLU 17 -13.576 14.536 -5.545 127 HA GLU 17 HA GLU 17 -11.379 14.602 -7.197 128 1HB GLU 17 2HB GLU 17 -11.208 17.037 -6.566 129 2HB GLU 17 3HB GLU 17 -12.798 16.509 -7.097 130 1HG GLU 17 2HG GLU 17 -13.426 16.276 -4.684 131 2HG GLU 17 3HG GLU 17 -11.895 17.051 -4.284 132 H SER 18 H SER 18 -11.454 15.147 -3.688 133 HA SER 18 HA SER 18 -8.738 15.715 -3.342 134 1HB SER 18 2HB SER 18 -10.961 14.822 -1.587 135 2HB SER 18 3HB SER 18 -9.325 14.567 -0.978 136 HG SER 18 HG SER 18 -10.725 16.819 -1.021 137 H LEU 19 H LEU 19 -10.470 12.630 -3.321 138 HA LEU 19 HA LEU 19 -8.306 11.006 -2.557 139 1HB LEU 19 2HB LEU 19 -10.728 10.365 -2.602 140 2HB LEU 19 3HB LEU 19 -10.592 10.221 -4.354 141 HG LEU 19 HG LEU 19 -10.483 8.074 -2.998 142 1HD1 LEU 19 1HD1 LEU 19 -9.456 7.153 -4.755 143 2HD1 LEU 19 2HD1 LEU 19 -7.987 8.098 -4.512 144 3HD1 LEU 19 3HD1 LEU 19 -9.353 8.799 -5.380 145 1HD2 LEU 19 1HD2 LEU 19 -7.709 9.101 -2.409 146 2HD2 LEU 19 2HD2 LEU 19 -8.338 7.500 -2.018 147 3HD2 LEU 19 3HD2 LEU 19 -9.008 8.929 -1.229 148 H VAL 20 H VAL 20 -9.358 12.216 -5.686 149 HA VAL 20 HA VAL 20 -7.644 10.600 -7.266 150 HB VAL 20 HB VAL 20 -8.678 13.334 -8.010 151 1HG1 VAL 20 1HG1 VAL 20 -8.454 12.624 -10.257 152 2HG1 VAL 20 2HG1 VAL 20 -6.949 12.182 -9.449 153 3HG1 VAL 20 3HG1 VAL 20 -8.170 10.951 -9.776 154 1HG2 VAL 20 1HG2 VAL 20 -10.116 10.827 -7.552 155 2HG2 VAL 20 2HG2 VAL 20 -10.722 12.479 -7.657 156 3HG2 VAL 20 3HG2 VAL 20 -10.422 11.555 -9.129 157 H GLN 21 H GLN 21 -7.390 14.018 -6.275 158 HA GLN 21 HA GLN 21 -4.795 14.397 -7.316 159 1HB GLN 21 2HB GLN 21 -6.301 15.878 -5.157 160 2HB GLN 21 3HB GLN 21 -4.761 16.410 -5.818 161 1HG GLN 21 2HG GLN 21 -7.087 15.902 -7.623 162 2HG GLN 21 3HG GLN 21 -6.954 17.417 -6.732 163 1HE2 GLN 21 1HE2 GLN 21 -6.241 15.904 -9.568 164 2HE2 GLN 21 2HE2 GLN 21 -4.970 16.931 -10.129 165 H ALA 22 H ALA 22 -5.962 13.029 -4.355 166 HA ALA 22 HA ALA 22 -3.455 13.241 -2.953 167 1HB ALA 22 1HB ALA 22 -4.523 11.970 -1.207 168 2HB ALA 22 2HB ALA 22 -5.636 13.212 -1.783 169 3HB ALA 22 3HB ALA 22 -5.849 11.535 -2.285 170 H LEU 23 H LEU 23 -5.324 10.546 -4.354 171 HA LEU 23 HA LEU 23 -3.434 8.541 -3.878 172 1HB LEU 23 2HB LEU 23 -4.740 7.173 -5.182 173 2HB LEU 23 3HB LEU 23 -5.893 8.412 -4.691 174 HG LEU 23 HG LEU 23 -5.194 9.498 -6.989 175 1HD1 LEU 23 1HD1 LEU 23 -3.944 6.897 -7.073 176 2HD1 LEU 23 2HD1 LEU 23 -3.798 8.255 -8.187 177 3HD1 LEU 23 3HD1 LEU 23 -5.112 7.095 -8.380 178 1HD2 LEU 23 1HD2 LEU 23 -7.449 8.839 -6.421 179 2HD2 LEU 23 2HD2 LEU 23 -7.057 7.143 -6.703 180 3HD2 LEU 23 3HD2 LEU 23 -7.062 8.283 -8.049 181 H ALA 24 H ALA 24 -3.743 10.854 -6.502 182 HA ALA 24 HA ALA 24 -1.877 9.683 -8.266 183 1HB ALA 24 1HB ALA 24 -1.718 12.091 -9.148 184 2HB ALA 24 2HB ALA 24 -3.279 11.273 -9.232 185 3HB ALA 24 3HB ALA 24 -2.970 12.457 -7.961 186 H GLY 25 H GLY 25 -1.534 12.089 -5.686 187 1HA GLY 25 2HA GLY 25 1.207 12.643 -6.160 188 2HA GLY 25 3HA GLY 25 0.328 12.982 -4.677 189 H VAL 26 H VAL 26 -0.388 10.521 -3.788 190 HA VAL 26 HA VAL 26 1.963 9.586 -2.572 191 HB VAL 26 HB VAL 26 -0.225 9.284 -1.537 192 1HG1 VAL 26 1HG1 VAL 26 -1.472 8.845 -3.632 193 2HG1 VAL 26 2HG1 VAL 26 -0.764 7.229 -3.677 194 3HG1 VAL 26 3HG1 VAL 26 -1.834 7.688 -2.351 195 1HG2 VAL 26 1HG2 VAL 26 1.715 7.742 -1.056 196 2HG2 VAL 26 2HG2 VAL 26 0.118 7.114 -0.647 197 3HG2 VAL 26 3HG2 VAL 26 0.933 6.566 -2.112 198 H THR 27 H THR 27 0.154 8.436 -5.371 199 HA THR 27 HA THR 27 1.555 6.010 -5.726 200 HB THR 27 HB THR 27 0.742 6.216 -8.136 201 HG1 THR 27 HG1 THR 27 0.166 8.189 -8.644 202 1HG2 THR 27 1HG2 THR 27 -1.779 6.311 -7.154 203 2HG2 THR 27 2HG2 THR 27 -0.866 6.014 -5.674 204 3HG2 THR 27 3HG2 THR 27 -0.729 4.900 -7.035 205 H ALA 28 H ALA 28 1.913 9.161 -7.356 206 HA ALA 28 HA ALA 28 4.103 8.488 -8.952 207 1HB ALA 28 1HB ALA 28 3.168 11.119 -7.841 208 2HB ALA 28 2HB ALA 28 4.552 10.985 -8.925 209 3HB ALA 28 3HB ALA 28 2.954 10.477 -9.470 210 H SER 29 H SER 29 3.958 9.704 -5.640 211 HA SER 29 HA SER 29 6.792 10.002 -5.379 212 1HB SER 29 2HB SER 29 6.368 10.778 -3.244 213 2HB SER 29 3HB SER 29 4.811 11.092 -4.010 214 HG SER 29 HG SER 29 4.278 8.880 -3.193 215 H ASP 30 H ASP 30 4.479 7.456 -4.769 216 HA ASP 30 HA ASP 30 6.336 5.819 -3.293 217 1HB ASP 30 2HB ASP 30 3.936 5.673 -2.832 218 2HB ASP 30 3HB ASP 30 3.637 5.155 -4.489 219 H PHE 31 H PHE 31 5.690 6.443 -6.572 220 HA PHE 31 HA PHE 31 7.073 3.970 -7.377 221 1HB PHE 31 2HB PHE 31 5.082 5.697 -8.844 222 2HB PHE 31 3HB PHE 31 6.079 4.503 -9.668 223 HD1 PHE 31 HD1 PHE 31 2.939 5.018 -8.452 224 HD2 PHE 31 HD2 PHE 31 6.071 2.143 -8.253 225 HE1 PHE 31 HE1 PHE 31 1.296 3.272 -7.896 226 HE2 PHE 31 HE2 PHE 31 4.434 0.393 -7.699 227 HZ PHE 31 HZ PHE 31 2.043 0.956 -7.520 228 HA PRO 32 HA PRO 32 10.003 7.496 -8.125 229 1HB PRO 32 2HB PRO 32 12.174 6.211 -7.122 230 2HB PRO 32 3HB PRO 32 11.060 7.143 -6.116 231 1HG PRO 32 2HG PRO 32 11.192 4.185 -6.555 232 2HG PRO 32 3HG PRO 32 10.945 5.082 -5.045 233 1HD PRO 32 2HD PRO 32 8.906 3.938 -6.411 234 2HD PRO 32 3HD PRO 32 8.707 5.432 -5.473 235 H ASP 33 H ASP 33 9.861 4.136 -8.937 236 HA ASP 33 HA ASP 33 12.093 4.027 -10.682 237 1HB ASP 33 2HB ASP 33 10.947 1.986 -11.595 238 2HB ASP 33 3HB ASP 33 11.181 1.970 -9.849 239 H LEU 34 H LEU 34 9.131 5.603 -10.936 240 HA LEU 34 HA LEU 34 8.136 6.786 -12.604 241 1HB LEU 34 2HB LEU 34 10.495 6.182 -14.355 242 2HB LEU 34 3HB LEU 34 9.434 7.588 -14.388 243 HG LEU 34 HG LEU 34 11.542 6.960 -12.323 244 1HD1 LEU 34 1HD1 LEU 34 12.775 7.867 -13.992 245 2HD1 LEU 34 2HD1 LEU 34 12.181 9.366 -13.279 246 3HD1 LEU 34 3HD1 LEU 34 11.398 8.700 -14.712 247 1HD2 LEU 34 1HD2 LEU 34 10.954 9.129 -11.344 248 2HD2 LEU 34 2HD2 LEU 34 9.611 7.988 -11.261 249 3HD2 LEU 34 3HD2 LEU 34 9.607 9.269 -12.474 250 H ASP 35 H ASP 35 8.262 3.692 -12.486 251 HA ASP 35 HA ASP 35 7.633 2.964 -15.218 252 1HB ASP 35 2HB ASP 35 7.527 1.348 -12.662 253 2HB ASP 35 3HB ASP 35 7.279 0.700 -14.281 254 H ILE 36 H ILE 36 5.975 4.451 -12.787 255 HA ILE 36 HA ILE 36 3.450 3.132 -12.967 256 HB ILE 36 HB ILE 36 3.918 4.409 -10.991 257 1HG1 ILE 36 2HG1 ILE 36 1.835 5.876 -12.624 258 2HG1 ILE 36 3HG1 ILE 36 1.570 4.343 -11.800 259 1HG2 ILE 36 1HG2 ILE 36 5.123 6.268 -11.087 260 2HG2 ILE 36 2HG2 ILE 36 4.977 6.296 -12.844 261 3HG2 ILE 36 3HG2 ILE 36 3.764 7.097 -11.845 262 1HD1 ILE 36 1HD1 ILE 36 2.624 6.285 -9.971 263 2HD1 ILE 36 2HD1 ILE 36 1.190 6.911 -10.785 264 3HD1 ILE 36 3HD1 ILE 36 1.109 5.384 -9.907 265 H LYS 37 H LYS 37 2.073 3.209 -14.602 266 HA LYS 37 HA LYS 37 2.178 5.518 -16.429 267 1HB LYS 37 2HB LYS 37 1.265 2.687 -16.976 268 2HB LYS 37 3HB LYS 37 1.230 4.006 -18.139 269 1HG LYS 37 2HG LYS 37 3.670 2.764 -16.890 270 2HG LYS 37 3HG LYS 37 3.140 2.623 -18.568 271 1HD LYS 37 2HD LYS 37 3.990 5.171 -17.190 272 2HD LYS 37 3HD LYS 37 4.962 4.242 -18.335 273 1HE LYS 37 2HE LYS 37 3.014 4.568 -19.963 274 2HE LYS 37 3HE LYS 37 2.444 5.801 -18.839 275 1HZ LYS 37 1HZ LYS 37 4.653 5.881 -20.693 276 2HZ LYS 37 2HZ LYS 37 5.025 6.476 -19.154 277 3HZ LYS 37 3HZ LYS 37 3.746 7.148 -20.034 278 H TYR 38 H TYR 38 0.743 6.674 -14.994 279 HA TYR 38 HA TYR 38 -2.056 5.788 -15.256 280 1HB TYR 38 2HB TYR 38 -2.566 6.524 -13.105 281 2HB TYR 38 3HB TYR 38 -0.970 5.812 -12.897 282 HD1 TYR 38 HD1 TYR 38 1.020 7.568 -13.299 283 HD2 TYR 38 HD2 TYR 38 -2.942 8.569 -12.115 284 HE1 TYR 38 HE1 TYR 38 1.844 9.683 -12.352 285 HE2 TYR 38 HE2 TYR 38 -2.129 10.687 -11.166 286 HH TYR 38 HH TYR 38 1.244 11.365 -10.807 287 H ASN 39 H ASN 39 -3.626 7.650 -15.080 288 HA ASN 39 HA ASN 39 -2.771 10.289 -15.675 289 1HB ASN 39 2HB ASN 39 -2.442 8.829 -17.859 290 2HB ASN 39 3HB ASN 39 -4.176 9.087 -18.022 291 1HD2 ASN 39 1HD2 ASN 39 -1.461 11.107 -16.951 292 2HD2 ASN 39 2HD2 ASN 39 -1.791 12.417 -18.028 293 H ILE 40 H ILE 40 -4.550 11.764 -15.956 294 HA ILE 40 HA ILE 40 -7.136 10.617 -15.125 295 HB ILE 40 HB ILE 40 -6.986 13.377 -14.418 296 1HG1 ILE 40 2HG1 ILE 40 -4.683 11.677 -13.446 297 2HG1 ILE 40 3HG1 ILE 40 -4.581 13.182 -14.353 298 1HG2 ILE 40 1HG2 ILE 40 -7.612 12.581 -12.263 299 2HG2 ILE 40 2HG2 ILE 40 -8.404 11.551 -13.455 300 3HG2 ILE 40 3HG2 ILE 40 -6.971 10.974 -12.605 301 1HD1 ILE 40 1HD1 ILE 40 -5.228 12.739 -11.483 302 2HD1 ILE 40 2HD1 ILE 40 -4.116 13.889 -12.227 303 3HD1 ILE 40 3HD1 ILE 40 -5.856 14.166 -12.306 304 H PHE 41 H PHE 41 -8.722 10.897 -16.535 305 HA PHE 41 HA PHE 41 -8.671 13.267 -18.277 306 1HB PHE 41 2HB PHE 41 -9.775 11.681 -20.012 307 2HB PHE 41 3HB PHE 41 -8.029 11.616 -19.795 308 HD1 PHE 41 HD1 PHE 41 -7.073 9.541 -19.658 309 HD2 PHE 41 HD2 PHE 41 -11.095 10.044 -18.357 310 HE1 PHE 41 HE1 PHE 41 -7.220 7.130 -19.192 311 HE2 PHE 41 HE2 PHE 41 -11.248 7.633 -17.888 312 HZ PHE 41 HZ PHE 41 -9.309 6.173 -18.305 313 H LEU 42 H LEU 42 -10.745 13.970 -19.042 314 HA LEU 42 HA LEU 42 -12.958 13.087 -17.308 315 1HB LEU 42 2HB LEU 42 -12.640 15.257 -16.650 316 2HB LEU 42 3HB LEU 42 -12.077 15.769 -18.239 317 HG LEU 42 HG LEU 42 -14.393 15.722 -19.060 318 1HD1 LEU 42 1HD1 LEU 42 -14.862 14.577 -16.376 319 2HD1 LEU 42 2HD1 LEU 42 -15.680 14.263 -17.906 320 3HD1 LEU 42 3HD1 LEU 42 -16.068 15.713 -16.981 321 1HD2 LEU 42 1HD2 LEU 42 -14.394 17.865 -18.494 322 2HD2 LEU 42 2HD2 LEU 42 -13.259 17.539 -17.184 323 3HD2 LEU 42 3HD2 LEU 42 -14.996 17.437 -16.893 324 H VAL 43 H VAL 43 -14.622 12.162 -18.292 325 HA VAL 43 HA VAL 43 -14.886 12.470 -21.202 326 HB VAL 43 HB VAL 43 -15.722 10.356 -21.342 327 1HG1 VAL 43 1HG1 VAL 43 -14.284 8.966 -20.249 328 2HG1 VAL 43 2HG1 VAL 43 -13.500 10.508 -19.900 329 3HG1 VAL 43 3HG1 VAL 43 -14.535 9.750 -18.690 330 1HG2 VAL 43 1HG2 VAL 43 -17.723 10.611 -20.114 331 2HG2 VAL 43 2HG2 VAL 43 -16.898 9.224 -19.402 332 3HG2 VAL 43 3HG2 VAL 43 -16.855 10.789 -18.589 333 H ASP 44 H ASP 44 -16.722 13.225 -22.134 334 HA ASP 44 HA ASP 44 -19.000 13.862 -20.391 335 1HB ASP 44 2HB ASP 44 -17.876 15.951 -20.569 336 2HB ASP 44 3HB ASP 44 -17.583 15.727 -22.292 337 H LEU 45 H LEU 45 -20.537 12.552 -21.160 338 HA LEU 45 HA LEU 45 -21.406 12.898 -23.902 339 1HB LEU 45 2HB LEU 45 -19.745 10.749 -23.250 340 2HB LEU 45 3HB LEU 45 -21.370 10.072 -23.323 341 HG LEU 45 HG LEU 45 -20.146 9.863 -25.449 342 1HD1 LEU 45 1HD1 LEU 45 -22.741 10.464 -25.091 343 2HD1 LEU 45 2HD1 LEU 45 -22.022 10.140 -26.668 344 3HD1 LEU 45 3HD1 LEU 45 -22.257 11.803 -26.131 345 1HD2 LEU 45 1HD2 LEU 45 -20.224 12.878 -25.425 346 2HD2 LEU 45 2HD2 LEU 45 -19.755 11.881 -26.802 347 3HD2 LEU 45 3HD2 LEU 45 -18.784 11.864 -25.329 348 H TYR 46 H TYR 46 -23.533 12.045 -24.293 349 HA TYR 46 HA TYR 46 -25.703 11.624 -23.756 350 1HB TYR 46 2HB TYR 46 -24.611 10.428 -21.203 351 2HB TYR 46 3HB TYR 46 -26.195 10.133 -21.912 352 HD1 TYR 46 HD1 TYR 46 -26.266 9.007 -24.215 353 HD2 TYR 46 HD2 TYR 46 -22.793 9.067 -21.757 354 HE1 TYR 46 HE1 TYR 46 -25.353 7.098 -25.468 355 HE2 TYR 46 HE2 TYR 46 -21.870 7.159 -23.004 356 HH TYR 46 HH TYR 46 -22.846 5.229 -24.402 357 H GLY 47 H GLY 47 -24.533 14.143 -23.093 358 1HA GLY 47 2HA GLY 47 -25.152 16.079 -22.024 359 2HA GLY 47 3HA GLY 47 -26.591 15.226 -21.487 360 H GLN 48 H GLN 48 -23.806 13.582 -20.577 361 HA GLN 48 HA GLN 48 -23.697 14.945 -17.975 362 1HB GLN 48 2HB GLN 48 -23.827 11.953 -18.390 363 2HB GLN 48 3HB GLN 48 -23.602 12.762 -16.845 364 1HG GLN 48 2HG GLN 48 -26.024 13.062 -18.604 365 2HG GLN 48 3HG GLN 48 -25.908 11.981 -17.216 366 1HE2 GLN 48 1HE2 GLN 48 -27.577 14.406 -17.862 367 2HE2 GLN 48 2HE2 GLN 48 -27.396 15.428 -16.482 368 H LYS 49 H LYS 49 -21.705 15.118 -17.067 369 HA LYS 49 HA LYS 49 -19.464 13.921 -18.561 370 1HB LYS 49 2HB LYS 49 -18.158 15.917 -17.614 371 2HB LYS 49 3HB LYS 49 -19.284 16.230 -18.928 372 1HG LYS 49 2HG LYS 49 -20.557 16.489 -16.343 373 2HG LYS 49 3HG LYS 49 -19.156 17.552 -16.502 374 1HD LYS 49 2HD LYS 49 -20.856 17.503 -18.877 375 2HD LYS 49 3HD LYS 49 -21.687 18.082 -17.431 376 1HE LYS 49 2HE LYS 49 -19.562 19.539 -17.110 377 2HE LYS 49 3HE LYS 49 -19.287 19.210 -18.820 378 1HZ LYS 49 1HZ LYS 49 -21.974 20.002 -18.350 379 2HZ LYS 49 2HZ LYS 49 -20.820 20.691 -19.377 380 3HZ LYS 49 3HZ LYS 49 -20.900 21.165 -17.755 381 H TYR 50 H TYR 50 -18.065 12.687 -17.466 382 HA TYR 50 HA TYR 50 -18.065 12.828 -14.529 383 1HB TYR 50 2HB TYR 50 -17.950 10.237 -16.078 384 2HB TYR 50 3HB TYR 50 -18.084 10.437 -14.334 385 HD1 TYR 50 HD1 TYR 50 -19.892 10.900 -17.534 386 HD2 TYR 50 HD2 TYR 50 -20.194 10.679 -13.296 387 HE1 TYR 50 HE1 TYR 50 -22.343 10.808 -17.720 388 HE2 TYR 50 HE2 TYR 50 -22.646 10.586 -13.470 389 HH TYR 50 HH TYR 50 -24.278 9.784 -16.050 390 H PHE 51 H PHE 51 -16.126 12.041 -13.518 391 HA PHE 51 HA PHE 51 -13.783 12.356 -15.259 392 1HB PHE 51 2HB PHE 51 -14.182 12.756 -12.297 393 2HB PHE 51 3HB PHE 51 -12.583 12.700 -13.031 394 HD1 PHE 51 HD1 PHE 51 -15.860 14.402 -13.583 395 HD2 PHE 51 HD2 PHE 51 -11.614 14.706 -13.555 396 HE1 PHE 51 HE1 PHE 51 -16.031 16.797 -14.123 397 HE2 PHE 51 HE2 PHE 51 -11.778 17.101 -14.093 398 HZ PHE 51 HZ PHE 51 -13.988 18.150 -14.377 399 H ARG 52 H ARG 52 -12.379 10.739 -15.572 400 HA ARG 52 HA ARG 52 -12.490 8.402 -13.798 401 1HB ARG 52 2HB ARG 52 -12.709 8.416 -16.803 402 2HB ARG 52 3HB ARG 52 -12.180 6.993 -15.915 403 1HG ARG 52 2HG ARG 52 -14.257 6.720 -14.881 404 2HG ARG 52 3HG ARG 52 -14.766 8.364 -15.274 405 1HD ARG 52 2HD ARG 52 -14.374 7.443 -17.749 406 2HD ARG 52 3HD ARG 52 -14.754 5.920 -16.948 407 HE ARG 52 HE ARG 52 -16.683 7.784 -16.192 408 1HH1 ARG 52 2HH1 ARG 52 -15.607 6.138 -19.065 409 2HH1 ARG 52 1HH1 ARG 52 -17.166 6.164 -19.821 410 1HH2 ARG 52 2HH2 ARG 52 -18.740 7.823 -17.177 411 2HH2 ARG 52 1HH2 ARG 52 -18.947 7.123 -18.747 412 H ILE 53 H ILE 53 -10.561 7.292 -13.541 413 HA ILE 53 HA ILE 53 -8.199 8.537 -14.790 414 HB ILE 53 HB ILE 53 -6.992 8.474 -12.820 415 1HG1 ILE 53 2HG1 ILE 53 -8.126 7.177 -10.783 416 2HG1 ILE 53 3HG1 ILE 53 -8.848 6.257 -12.099 417 1HG2 ILE 53 1HG2 ILE 53 -8.143 9.860 -11.439 418 2HG2 ILE 53 2HG2 ILE 53 -9.259 9.866 -12.803 419 3HG2 ILE 53 3HG2 ILE 53 -9.573 8.829 -11.412 420 1HD1 ILE 53 1HD1 ILE 53 -6.156 6.186 -11.038 421 2HD1 ILE 53 2HD1 ILE 53 -7.011 5.016 -12.045 422 3HD1 ILE 53 3HD1 ILE 53 -6.186 6.385 -12.790 423 H LEU 54 H LEU 54 -6.701 7.215 -15.671 424 HA LEU 54 HA LEU 54 -7.188 4.318 -15.460 425 1HB LEU 54 2HB LEU 54 -7.413 5.657 -17.704 426 2HB LEU 54 3HB LEU 54 -5.655 5.530 -17.714 427 HG LEU 54 HG LEU 54 -7.673 3.301 -17.848 428 1HD1 LEU 54 1HD1 LEU 54 -5.444 4.162 -19.686 429 2HD1 LEU 54 2HD1 LEU 54 -7.168 4.420 -19.951 430 3HD1 LEU 54 3HD1 LEU 54 -6.514 2.782 -19.934 431 1HD2 LEU 54 1HD2 LEU 54 -6.016 2.502 -16.348 432 2HD2 LEU 54 2HD2 LEU 54 -4.711 3.181 -17.321 433 3HD2 LEU 54 3HD2 LEU 54 -5.645 1.813 -17.929 434 H PHE 55 H PHE 55 -5.718 3.272 -14.310 435 HA PHE 55 HA PHE 55 -2.938 4.248 -14.358 436 1HB PHE 55 2HB PHE 55 -3.663 4.679 -12.163 437 2HB PHE 55 3HB PHE 55 -4.584 3.181 -12.078 438 HD1 PHE 55 HD1 PHE 55 -1.081 3.639 -13.201 439 HD2 PHE 55 HD2 PHE 55 -3.693 2.137 -10.195 440 HE1 PHE 55 HE1 PHE 55 0.824 2.536 -12.102 441 HE2 PHE 55 HE2 PHE 55 -1.792 1.032 -9.090 442 HZ PHE 55 HZ PHE 55 0.470 1.231 -10.044 443 H GLN 56 H GLN 56 -1.525 2.866 -15.187 444 HA GLN 56 HA GLN 56 -2.040 -0.015 -14.958 445 1HB GLN 56 2HB GLN 56 -0.958 -0.078 -17.355 446 2HB GLN 56 3HB GLN 56 -2.683 0.202 -17.156 447 1HG GLN 56 2HG GLN 56 -2.334 2.599 -17.392 448 2HG GLN 56 3HG GLN 56 -0.599 2.335 -17.564 449 1HE2 GLN 56 1HE2 GLN 56 0.157 2.182 -19.548 450 2HE2 GLN 56 2HE2 GLN 56 -0.765 1.816 -20.962 451 H SER 57 H SER 57 -0.176 -1.343 -15.017 452 HA SER 57 HA SER 57 2.309 0.116 -14.408 453 1HB SER 57 2HB SER 57 1.362 -2.600 -13.467 454 2HB SER 57 3HB SER 57 2.964 -1.940 -13.139 455 HG SER 57 HG SER 57 0.586 -1.403 -11.931 456 H LYS 58 H LYS 58 4.321 -1.243 -14.846 457 HA LYS 58 HA LYS 58 4.132 -2.231 -17.592 458 1HB LYS 58 2HB LYS 58 5.802 -0.438 -16.826 459 2HB LYS 58 3HB LYS 58 6.672 -1.752 -16.044 460 1HG LYS 58 2HG LYS 58 7.740 -1.510 -18.092 461 2HG LYS 58 3HG LYS 58 6.654 -2.878 -18.345 462 1HD LYS 58 2HD LYS 58 6.354 -1.567 -20.253 463 2HD LYS 58 3HD LYS 58 4.988 -1.129 -19.225 464 1HE LYS 58 2HE LYS 58 6.504 0.769 -18.381 465 2HE LYS 58 3HE LYS 58 7.487 0.427 -19.803 466 1HZ LYS 58 1HZ LYS 58 5.052 0.585 -20.882 467 2HZ LYS 58 2HZ LYS 58 6.113 1.897 -20.762 468 3HZ LYS 58 3HZ LYS 58 4.888 1.692 -19.613 469 H LYS 59 H LYS 59 5.004 -3.257 -14.362 470 HA LYS 59 HA LYS 59 6.110 -5.774 -15.190 471 1HB LYS 59 2HB LYS 59 5.736 -4.316 -12.693 472 2HB LYS 59 3HB LYS 59 5.417 -6.037 -12.518 473 1HG LYS 59 2HG LYS 59 7.578 -6.532 -12.584 474 2HG LYS 59 3HG LYS 59 7.831 -5.556 -14.033 475 1HD LYS 59 2HD LYS 59 7.519 -4.264 -11.347 476 2HD LYS 59 3HD LYS 59 9.078 -4.913 -11.862 477 1HE LYS 59 2HE LYS 59 8.093 -3.415 -14.025 478 2HE LYS 59 3HE LYS 59 7.804 -2.443 -12.583 479 1HZ LYS 59 1HZ LYS 59 10.376 -3.547 -12.421 480 2HZ LYS 59 2HZ LYS 59 9.939 -1.918 -12.545 481 3HZ LYS 59 3HZ LYS 59 10.210 -2.829 -13.944 482 H LEU 60 H LEU 60 3.021 -4.614 -15.151 483 HA LEU 60 HA LEU 60 1.386 -6.477 -14.005 484 1HB LEU 60 2HB LEU 60 -0.306 -5.759 -15.421 485 2HB LEU 60 3HB LEU 60 0.800 -4.388 -15.363 486 HG LEU 60 HG LEU 60 0.635 -6.397 -17.610 487 1HD1 LEU 60 1HD1 LEU 60 -0.200 -4.275 -18.818 488 2HD1 LEU 60 2HD1 LEU 60 -0.587 -3.696 -17.198 489 3HD1 LEU 60 3HD1 LEU 60 -1.327 -5.177 -17.804 490 1HD2 LEU 60 1HD2 LEU 60 2.477 -4.191 -16.952 491 2HD2 LEU 60 2HD2 LEU 60 1.901 -4.245 -18.618 492 3HD2 LEU 60 3HD2 LEU 60 2.735 -5.637 -17.928 493 H SER 61 H SER 61 1.052 -8.587 -14.224 494 HA SER 61 HA SER 61 2.133 -9.927 -16.612 495 1HB SER 61 2HB SER 61 2.002 -11.995 -15.067 496 2HB SER 61 3HB SER 61 3.269 -10.810 -14.753 497 HG SER 61 HG SER 61 2.349 -10.305 -12.919 498 H GLU 62 H GLU 62 0.930 -11.566 -17.623 499 HA GLU 62 HA GLU 62 -1.879 -11.102 -17.688 500 1HB GLU 62 2HB GLU 62 -0.209 -13.275 -18.963 501 2HB GLU 62 3HB GLU 62 -1.908 -12.988 -19.309 502 1HG GLU 62 2HG GLU 62 0.417 -11.180 -19.897 503 2HG GLU 62 3HG GLU 62 -0.641 -11.994 -21.048 504 H LEU 63 H LEU 63 0.169 -13.660 -16.374 505 HA LEU 63 HA LEU 63 -2.123 -15.175 -15.447 506 1HB LEU 63 2HB LEU 63 0.791 -15.649 -14.857 507 2HB LEU 63 3HB LEU 63 -0.536 -16.793 -14.671 508 HG LEU 63 HG LEU 63 -0.267 -15.829 -17.405 509 1HD1 LEU 63 1HD1 LEU 63 2.014 -17.446 -16.284 510 2HD1 LEU 63 2HD1 LEU 63 2.110 -15.729 -16.675 511 3HD1 LEU 63 3HD1 LEU 63 1.798 -16.907 -17.949 512 1HD2 LEU 63 1HD2 LEU 63 -1.024 -17.888 -17.857 513 2HD2 LEU 63 2HD2 LEU 63 -1.343 -17.982 -16.125 514 3HD2 LEU 63 3HD2 LEU 63 0.145 -18.661 -16.786 515 H HIS 64 H HIS 64 -1.340 -16.136 -13.026 516 HA HIS 64 HA HIS 64 -1.383 -15.706 -10.792 517 1HB HIS 64 2HB HIS 64 -0.106 -13.052 -11.467 518 2HB HIS 64 3HB HIS 64 -0.043 -13.906 -9.928 519 HD1 HIS 64 HD1 HIS 64 1.946 -13.293 -12.806 520 HD2 HIS 64 HD2 HIS 64 1.327 -16.579 -10.340 521 HE1 HIS 64 HE1 HIS 64 3.924 -14.799 -13.183 522 HA PRO 65 HA PRO 65 -5.176 -13.111 -11.455 523 1HB PRO 65 2HB PRO 65 -6.890 -14.932 -10.398 524 2HB PRO 65 3HB PRO 65 -6.405 -14.943 -12.098 525 1HG PRO 65 2HG PRO 65 -5.375 -16.596 -9.824 526 2HG PRO 65 3HG PRO 65 -5.767 -17.092 -11.481 527 1HD PRO 65 2HD PRO 65 -3.228 -16.629 -10.660 528 2HD PRO 65 3HD PRO 65 -3.768 -16.311 -12.321 529 H GLU 66 H GLU 66 -3.978 -14.984 -8.725 530 HA GLU 66 HA GLU 66 -5.541 -13.919 -6.685 531 1HB GLU 66 2HB GLU 66 -3.213 -15.540 -6.892 532 2HB GLU 66 3HB GLU 66 -2.881 -14.278 -5.714 533 1HG GLU 66 2HG GLU 66 -5.312 -16.045 -5.635 534 2HG GLU 66 3HG GLU 66 -3.816 -16.381 -4.764 535 H GLU 67 H GLU 67 -2.872 -12.539 -8.432 536 HA GLU 67 HA GLU 67 -2.305 -10.452 -6.567 537 1HB GLU 67 2HB GLU 67 -1.672 -10.618 -9.519 538 2HB GLU 67 3HB GLU 67 -0.968 -9.480 -8.379 539 1HG GLU 67 2HG GLU 67 -0.707 -12.456 -8.077 540 2HG GLU 67 3HG GLU 67 0.441 -11.478 -8.990 541 H ARG 68 H ARG 68 -4.269 -10.710 -9.496 542 HA ARG 68 HA ARG 68 -4.956 -8.037 -9.819 543 1HB ARG 68 2HB ARG 68 -5.900 -10.594 -10.780 544 2HB ARG 68 3HB ARG 68 -7.252 -9.509 -10.480 545 1HG ARG 68 2HG ARG 68 -6.803 -8.307 -12.292 546 2HG ARG 68 3HG ARG 68 -5.094 -8.176 -11.873 547 1HD ARG 68 2HD ARG 68 -5.622 -9.347 -14.051 548 2HD ARG 68 3HD ARG 68 -4.576 -10.219 -12.932 549 HE ARG 68 HE ARG 68 -7.294 -10.934 -12.547 550 1HH1 ARG 68 2HH1 ARG 68 -4.584 -11.421 -14.679 551 2HH1 ARG 68 1HH1 ARG 68 -5.117 -12.981 -15.212 552 1HH2 ARG 68 2HH2 ARG 68 -8.006 -12.987 -13.242 553 2HH2 ARG 68 1HH2 ARG 68 -7.064 -13.870 -14.395 554 H LYS 69 H LYS 69 -6.731 -10.555 -8.026 555 HA LYS 69 HA LYS 69 -8.719 -8.828 -7.018 556 1HB LYS 69 2HB LYS 69 -9.172 -10.654 -5.398 557 2HB LYS 69 3HB LYS 69 -9.082 -11.215 -7.062 558 1HG LYS 69 2HG LYS 69 -6.613 -11.742 -6.496 559 2HG LYS 69 3HG LYS 69 -7.155 -11.640 -4.819 560 1HD LYS 69 2HD LYS 69 -7.323 -13.920 -5.424 561 2HD LYS 69 3HD LYS 69 -8.971 -13.290 -5.446 562 1HE LYS 69 2HE LYS 69 -8.249 -12.826 -7.999 563 2HE LYS 69 3HE LYS 69 -7.269 -14.251 -7.658 564 1HZ LYS 69 1HZ LYS 69 -10.195 -13.981 -7.712 565 2HZ LYS 69 2HZ LYS 69 -9.496 -15.163 -6.725 566 3HZ LYS 69 3HZ LYS 69 -9.216 -15.181 -8.393 567 H LYS 70 H LYS 70 -5.575 -9.821 -5.781 568 HA LYS 70 HA LYS 70 -5.762 -8.855 -3.179 569 1HB LYS 70 2HB LYS 70 -3.887 -10.225 -4.172 570 2HB LYS 70 3HB LYS 70 -3.280 -8.742 -4.896 571 1HG LYS 70 2HG LYS 70 -2.056 -8.599 -3.031 572 2HG LYS 70 3HG LYS 70 -3.543 -7.985 -2.305 573 1HD LYS 70 2HD LYS 70 -2.975 -10.927 -2.386 574 2HD LYS 70 3HD LYS 70 -2.275 -9.907 -1.127 575 1HE LYS 70 2HE LYS 70 -4.580 -9.122 -0.586 576 2HE LYS 70 3HE LYS 70 -5.202 -10.307 -1.734 577 1HZ LYS 70 1HZ LYS 70 -3.497 -11.700 -0.083 578 2HZ LYS 70 2HZ LYS 70 -5.187 -11.753 -0.073 579 3HZ LYS 70 3HZ LYS 70 -4.369 -10.685 0.953 580 H VAL 71 H VAL 71 -4.497 -7.178 -6.060 581 HA VAL 71 HA VAL 71 -4.129 -4.694 -4.740 582 HB VAL 71 HB VAL 71 -3.884 -3.739 -6.999 583 1HG1 VAL 71 1HG1 VAL 71 -2.364 -6.238 -7.289 584 2HG1 VAL 71 2HG1 VAL 71 -1.801 -4.568 -7.208 585 3HG1 VAL 71 3HG1 VAL 71 -2.201 -5.438 -5.726 586 1HG2 VAL 71 1HG2 VAL 71 -4.605 -6.506 -7.961 587 2HG2 VAL 71 2HG2 VAL 71 -5.616 -5.069 -8.116 588 3HG2 VAL 71 3HG2 VAL 71 -4.075 -5.159 -8.969 589 H ARG 72 H ARG 72 -6.808 -6.156 -6.452 590 HA ARG 72 HA ARG 72 -8.371 -3.899 -6.939 591 1HB ARG 72 2HB ARG 72 -8.697 -6.730 -7.045 592 2HB ARG 72 3HB ARG 72 -10.085 -6.051 -6.207 593 1HG ARG 72 2HG ARG 72 -10.921 -5.761 -8.255 594 2HG ARG 72 3HG ARG 72 -9.849 -4.361 -8.326 595 1HD ARG 72 2HD ARG 72 -9.398 -5.533 -10.297 596 2HD ARG 72 3HD ARG 72 -8.085 -5.986 -9.211 597 HE ARG 72 HE ARG 72 -8.815 -8.142 -9.321 598 1HH1 ARG 72 2HH1 ARG 72 -11.421 -6.038 -10.269 599 2HH1 ARG 72 1HH1 ARG 72 -12.481 -7.336 -10.712 600 1HH2 ARG 72 2HH2 ARG 72 -10.200 -9.859 -9.901 601 2HH2 ARG 72 1HH2 ARG 72 -11.786 -9.508 -10.501 602 H GLU 73 H GLU 73 -8.482 -6.111 -4.144 603 HA GLU 73 HA GLU 73 -10.356 -4.521 -2.708 604 1HB GLU 73 2HB GLU 73 -9.787 -5.995 -0.795 605 2HB GLU 73 3HB GLU 73 -10.197 -6.887 -2.253 606 1HG GLU 73 2HG GLU 73 -8.364 -8.041 -1.527 607 2HG GLU 73 3HG GLU 73 -7.621 -6.893 -2.638 608 H LYS 74 H LYS 74 -6.854 -4.725 -2.791 609 HA LYS 74 HA LYS 74 -6.293 -3.229 -0.479 610 1HB LYS 74 2HB LYS 74 -4.767 -4.588 -2.211 611 2HB LYS 74 3HB LYS 74 -4.487 -2.963 -2.824 612 1HG LYS 74 2HG LYS 74 -3.957 -3.960 -0.034 613 2HG LYS 74 3HG LYS 74 -2.761 -3.529 -1.258 614 1HD LYS 74 2HD LYS 74 -4.752 -1.634 -0.010 615 2HD LYS 74 3HD LYS 74 -3.045 -1.757 0.423 616 1HE LYS 74 2HE LYS 74 -2.967 -1.445 -2.306 617 2HE LYS 74 3HE LYS 74 -4.321 -0.419 -1.836 618 1HZ LYS 74 1HZ LYS 74 -1.656 -0.285 -0.543 619 2HZ LYS 74 2HZ LYS 74 -2.936 0.810 -0.383 620 3HZ LYS 74 3HZ LYS 74 -2.102 0.692 -1.850 621 H PHE 75 H PHE 75 -6.452 -2.193 -3.886 622 HA PHE 75 HA PHE 75 -6.105 0.561 -3.301 623 1HB PHE 75 2HB PHE 75 -5.974 0.763 -5.534 624 2HB PHE 75 3HB PHE 75 -6.129 -0.989 -5.596 625 HD1 PHE 75 HD1 PHE 75 -8.173 -2.034 -6.291 626 HD2 PHE 75 HD2 PHE 75 -7.885 2.202 -5.991 627 HE1 PHE 75 HE1 PHE 75 -10.270 -1.805 -7.558 628 HE2 PHE 75 HE2 PHE 75 -9.981 2.437 -7.257 629 HZ PHE 75 HZ PHE 75 -11.177 0.433 -8.041 630 H ASP 76 H ASP 76 -8.915 -1.514 -3.669 631 HA ASP 76 HA ASP 76 -10.902 0.447 -3.836 632 1HB ASP 76 2HB ASP 76 -11.556 -1.772 -4.307 633 2HB ASP 76 3HB ASP 76 -10.911 -2.374 -2.782 634 H GLU 77 H GLU 77 -9.607 -1.225 -0.973 635 HA GLU 77 HA GLU 77 -11.172 0.237 0.887 636 1HB GLU 77 2HB GLU 77 -8.598 -1.302 1.270 637 2HB GLU 77 3HB GLU 77 -9.596 -0.680 2.578 638 1HG GLU 77 2HG GLU 77 -11.214 -2.254 2.286 639 2HG GLU 77 3HG GLU 77 -10.884 -2.434 0.564 640 H ASN 78 H ASN 78 -7.766 0.509 -0.107 641 HA ASN 78 HA ASN 78 -6.975 2.596 1.508 642 1HB ASN 78 2HB ASN 78 -5.576 1.248 -0.149 643 2HB ASN 78 3HB ASN 78 -6.142 2.370 -1.383 644 1HD2 ASN 78 1HD2 ASN 78 -4.321 3.440 -1.851 645 2HD2 ASN 78 2HD2 ASN 78 -3.399 4.359 -0.715 646 H SER 79 H SER 79 -8.807 2.710 -1.498 647 HA SER 79 HA SER 79 -8.763 5.567 -1.693 648 1HB SER 79 2HB SER 79 -10.216 5.304 -3.570 649 2HB SER 79 3HB SER 79 -9.081 3.955 -3.627 650 HG SER 79 HG SER 79 -10.669 2.615 -2.806 651 H ARG 80 H ARG 80 -11.073 3.159 -0.524 652 HA ARG 80 HA ARG 80 -13.138 5.033 0.053 653 1HB ARG 80 2HB ARG 80 -14.366 3.234 0.738 654 2HB ARG 80 3HB ARG 80 -13.148 2.384 -0.205 655 1HG ARG 80 2HG ARG 80 -13.030 1.125 1.661 656 2HG ARG 80 3HG ARG 80 -11.916 2.397 2.165 657 1HD ARG 80 2HD ARG 80 -13.333 3.194 3.724 658 2HD ARG 80 3HD ARG 80 -14.751 2.941 2.708 659 HE ARG 80 HE ARG 80 -13.658 0.487 3.675 660 1HH1 ARG 80 2HH1 ARG 80 -15.681 3.192 4.517 661 2HH1 ARG 80 1HH1 ARG 80 -16.592 2.310 5.699 662 1HH2 ARG 80 2HH2 ARG 80 -14.850 -0.685 5.228 663 2HH2 ARG 80 1HH2 ARG 80 -16.118 0.106 6.103 664 H MET 81 H MET 81 -10.187 4.425 1.517 665 HA MET 81 HA MET 81 -10.512 4.470 4.209 666 1HB MET 81 2HB MET 81 -8.549 6.001 2.509 667 2HB MET 81 3HB MET 81 -8.455 5.976 4.265 668 1HG MET 81 2HG MET 81 -8.368 3.536 2.507 669 2HG MET 81 3HG MET 81 -6.956 4.353 3.174 670 1HE MET 81 1HE MET 81 -7.320 3.787 6.983 671 2HE MET 81 2HE MET 81 -6.601 4.747 5.689 672 3HE MET 81 3HE MET 81 -8.246 5.086 6.229 673 H GLN 82 H GLN 82 -10.606 6.133 5.819 674 HA GLN 82 HA GLN 82 -12.643 8.018 5.387 675 1HB GLN 82 2HB GLN 82 -10.591 7.842 7.599 676 2HB GLN 82 3HB GLN 82 -11.994 8.902 7.627 677 1HG GLN 82 2HG GLN 82 -13.491 7.094 7.751 678 2HG GLN 82 3HG GLN 82 -12.241 5.930 7.312 679 1HE2 GLN 82 1HE2 GLN 82 -11.686 4.710 8.953 680 2HE2 GLN 82 2HE2 GLN 82 -11.561 5.205 10.603 681 H TYR 83 H TYR 83 -12.508 10.357 5.602 682 HA TYR 83 HA TYR 83 -10.665 11.486 3.795 683 1HB TYR 83 2HB TYR 83 -13.049 12.280 4.932 684 2HB TYR 83 3HB TYR 83 -11.889 13.392 5.649 685 HD1 TYR 83 HD1 TYR 83 -10.296 14.616 4.016 686 HD2 TYR 83 HD2 TYR 83 -13.897 12.702 2.806 687 HE1 TYR 83 HE1 TYR 83 -10.322 15.975 1.965 688 HE2 TYR 83 HE2 TYR 83 -13.933 14.054 0.751 689 HH TYR 83 HH TYR 83 -12.597 16.685 0.259 690 H SER 84 H SER 84 -10.727 11.264 7.296 691 HA SER 84 HA SER 84 -8.790 13.140 7.959 692 1HB SER 84 2HB SER 84 -8.949 10.490 9.371 693 2HB SER 84 3HB SER 84 -8.654 12.090 10.051 694 HG SER 84 HG SER 84 -10.785 12.585 9.822 695 H GLU 85 H GLU 85 -8.346 9.679 7.242 696 HA GLU 85 HA GLU 85 -5.500 9.819 7.373 697 1HB GLU 85 2HB GLU 85 -7.284 7.780 7.455 698 2HB GLU 85 3HB GLU 85 -6.727 7.644 5.794 699 1HG GLU 85 2HG GLU 85 -4.770 6.789 6.408 700 2HG GLU 85 3HG GLU 85 -4.543 7.994 7.673 701 H LEU 86 H LEU 86 -7.878 10.057 4.801 702 HA LEU 86 HA LEU 86 -6.117 9.842 2.614 703 1HB LEU 86 2HB LEU 86 -8.814 10.063 2.920 704 2HB LEU 86 3HB LEU 86 -8.403 11.651 2.276 705 HG LEU 86 HG LEU 86 -9.098 10.070 0.528 706 1HD1 LEU 86 1HD1 LEU 86 -7.588 11.883 -0.041 707 2HD1 LEU 86 2HD1 LEU 86 -7.204 10.442 -0.982 708 3HD1 LEU 86 3HD1 LEU 86 -6.199 10.887 0.397 709 1HD2 LEU 86 1HD2 LEU 86 -8.371 7.974 0.447 710 2HD2 LEU 86 2HD2 LEU 86 -7.510 8.263 1.959 711 3HD2 LEU 86 3HD2 LEU 86 -6.689 8.507 0.417 712 H MET 87 H MET 87 -7.187 12.606 4.535 713 HA MET 87 HA MET 87 -5.735 14.498 2.913 714 1HB MET 87 2HB MET 87 -7.560 14.607 5.228 715 2HB MET 87 3HB MET 87 -6.332 15.865 5.186 716 1HG MET 87 2HG MET 87 -8.214 15.251 2.922 717 2HG MET 87 3HG MET 87 -8.477 16.505 4.131 718 1HE MET 87 1HE MET 87 -7.388 15.417 1.049 719 2HE MET 87 2HE MET 87 -7.574 17.037 0.380 720 3HE MET 87 3HE MET 87 -5.971 16.311 0.499 721 H THR 88 H THR 88 -5.237 12.736 5.895 722 HA THR 88 HA THR 88 -3.012 14.223 6.829 723 HB THR 88 HB THR 88 -3.877 11.386 7.405 724 HG1 THR 88 HG1 THR 88 -5.041 12.295 8.934 725 1HG2 THR 88 1HG2 THR 88 -1.482 11.575 7.796 726 2HG2 THR 88 2HG2 THR 88 -2.343 11.495 9.333 727 3HG2 THR 88 3HG2 THR 88 -1.733 13.041 8.743 728 H LYS 89 H LYS 89 -3.241 11.145 5.053 729 HA LYS 89 HA LYS 89 -0.443 10.800 4.777 730 1HB LYS 89 2HB LYS 89 -2.748 9.321 4.178 731 2HB LYS 89 3HB LYS 89 -1.947 9.571 2.632 732 1HG LYS 89 2HG LYS 89 -1.000 7.604 3.341 733 2HG LYS 89 3HG LYS 89 0.179 8.790 3.908 734 1HD LYS 89 2HD LYS 89 -2.059 7.963 5.706 735 2HD LYS 89 3HD LYS 89 -0.667 6.897 5.505 736 1HE LYS 89 2HE LYS 89 0.797 8.832 6.103 737 2HE LYS 89 3HE LYS 89 -0.661 9.750 6.478 738 1HZ LYS 89 1HZ LYS 89 0.449 7.400 7.873 739 2HZ LYS 89 2HZ LYS 89 -1.190 7.790 8.018 740 3HZ LYS 89 3HZ LYS 89 -0.011 8.897 8.514 741 H TYR 90 H TYR 90 -2.559 12.969 3.330 742 HA TYR 90 HA TYR 90 -0.974 13.207 0.881 743 1HB TYR 90 2HB TYR 90 -3.327 13.241 0.475 744 2HB TYR 90 3HB TYR 90 -3.596 14.431 1.745 745 HD1 TYR 90 HD1 TYR 90 -3.791 16.667 1.168 746 HD2 TYR 90 HD2 TYR 90 -1.787 14.022 -1.496 747 HE1 TYR 90 HE1 TYR 90 -3.610 18.479 -0.485 748 HE2 TYR 90 HE2 TYR 90 -1.600 15.827 -3.156 749 HH TYR 90 HH TYR 90 -2.060 19.032 -2.448 750 H HIS 91 H HIS 91 -2.045 15.154 3.648 751 HA HIS 91 HA HIS 91 -0.215 17.295 2.896 752 1HB HIS 91 2HB HIS 91 -2.601 17.057 4.582 753 2HB HIS 91 3HB HIS 91 -1.327 18.034 5.304 754 HD1 HIS 91 HD1 HIS 91 -2.742 20.183 5.009 755 HD2 HIS 91 HD2 HIS 91 -1.814 18.248 1.452 756 HE1 HIS 91 HE1 HIS 91 -3.296 21.825 3.186 757 H ASP 92 H ASP 92 -0.917 15.483 5.891 758 HA ASP 92 HA ASP 92 1.318 16.220 7.332 759 1HB ASP 92 2HB ASP 92 -0.779 14.386 7.644 760 2HB ASP 92 3HB ASP 92 0.694 13.433 7.803 761 H LEU 93 H LEU 93 1.083 14.054 4.650 762 HA LEU 93 HA LEU 93 3.788 13.030 5.118 763 1HB LEU 93 2HB LEU 93 1.422 11.958 3.956 764 2HB LEU 93 3HB LEU 93 2.674 12.009 2.716 765 HG LEU 93 HG LEU 93 2.628 9.844 3.814 766 1HD1 LEU 93 1HD1 LEU 93 5.094 10.490 5.016 767 2HD1 LEU 93 2HD1 LEU 93 4.899 11.560 3.629 768 3HD1 LEU 93 3HD1 LEU 93 4.806 9.813 3.414 769 1HD2 LEU 93 1HD2 LEU 93 3.152 9.594 6.168 770 2HD2 LEU 93 2HD2 LEU 93 1.710 10.589 5.970 771 3HD2 LEU 93 3HD2 LEU 93 3.257 11.345 6.354 772 H LYS 94 H LYS 94 2.045 15.300 3.229 773 HA LYS 94 HA LYS 94 3.495 15.484 0.890 774 1HB LYS 94 2HB LYS 94 2.011 17.131 0.630 775 2HB LYS 94 3HB LYS 94 1.674 17.143 2.356 776 1HG LYS 94 2HG LYS 94 4.120 18.515 1.357 777 2HG LYS 94 3HG LYS 94 2.547 19.287 1.139 778 1HD LYS 94 2HD LYS 94 3.595 18.288 3.785 779 2HD LYS 94 3HD LYS 94 3.736 19.957 3.228 780 1HE LYS 94 2HE LYS 94 1.029 18.827 3.080 781 2HE LYS 94 3HE LYS 94 1.677 18.982 4.713 782 1HZ LYS 94 1HZ LYS 94 1.982 21.289 4.424 783 2HZ LYS 94 2HZ LYS 94 0.426 20.955 3.853 784 3HZ LYS 94 3HZ LYS 94 1.691 21.210 2.759 785 H LYS 95 H LYS 95 4.448 16.325 4.111 786 HA LYS 95 HA LYS 95 6.550 18.106 3.522 787 1HB LYS 95 2HB LYS 95 6.341 16.190 5.852 788 2HB LYS 95 3HB LYS 95 7.355 17.625 5.771 789 1HG LYS 95 2HG LYS 95 4.343 17.607 5.708 790 2HG LYS 95 3HG LYS 95 5.344 17.992 7.110 791 1HD LYS 95 2HD LYS 95 5.442 19.494 4.497 792 2HD LYS 95 3HD LYS 95 4.472 19.988 5.886 793 1HE LYS 95 2HE LYS 95 6.681 19.880 7.199 794 2HE LYS 95 3HE LYS 95 7.458 19.872 5.617 795 1HZ LYS 95 1HZ LYS 95 6.905 22.013 5.230 796 2HZ LYS 95 2HZ LYS 95 6.903 22.095 6.919 797 3HZ LYS 95 3HZ LYS 95 5.444 21.926 6.079 798 H GLN 96 H GLN 96 6.411 14.588 3.741 799 HA GLN 96 HA GLN 96 9.209 14.473 2.830 800 1HB GLN 96 2HB GLN 96 7.579 12.354 4.242 801 2HB GLN 96 3HB GLN 96 9.250 12.178 3.723 802 1HG GLN 96 2HG GLN 96 8.195 14.063 5.816 803 2HG GLN 96 3HG GLN 96 9.190 12.631 6.075 804 1HE2 GLN 96 1HE2 GLN 96 11.314 12.673 4.872 805 2HE2 GLN 96 2HE2 GLN 96 12.178 14.168 4.878 806 H GLY 97 H GLY 97 6.784 14.889 1.182 807 1HA GLY 97 2HA GLY 97 7.260 12.661 -0.672 808 2HA GLY 97 3HA GLY 97 5.604 13.045 -0.225 809 H LYS 98 H LYS 98 5.545 13.256 -2.656 810 HA LYS 98 HA LYS 98 5.721 16.074 -3.309 811 1HB LYS 98 2HB LYS 98 6.919 15.630 -5.449 812 2HB LYS 98 3HB LYS 98 7.908 15.368 -4.019 813 1HG LYS 98 2HG LYS 98 8.424 13.382 -4.852 814 2HG LYS 98 3HG LYS 98 6.758 12.892 -4.538 815 1HD LYS 98 2HD LYS 98 6.087 13.448 -6.747 816 2HD LYS 98 3HD LYS 98 7.608 14.284 -7.070 817 1HE LYS 98 2HE LYS 98 8.072 11.554 -6.258 818 2HE LYS 98 3HE LYS 98 6.982 11.624 -7.642 819 1HZ LYS 98 1HZ LYS 98 9.169 13.413 -7.959 820 2HZ LYS 98 2HZ LYS 98 8.658 12.158 -8.971 821 3HZ LYS 98 3HZ LYS 98 9.720 11.836 -7.694 822 H ILE 99 H ILE 99 3.816 16.569 -4.150 823 HA ILE 99 HA ILE 99 2.486 14.591 -5.884 824 HB ILE 99 HB ILE 99 1.251 14.696 -3.820 825 1HG1 ILE 99 2HG1 ILE 99 0.141 14.971 -6.245 826 2HG1 ILE 99 3HG1 ILE 99 -0.817 14.876 -4.771 827 1HG2 ILE 99 1HG2 ILE 99 0.228 16.876 -3.096 828 2HG2 ILE 99 2HG2 ILE 99 1.973 16.753 -2.883 829 3HG2 ILE 99 3HG2 ILE 99 1.314 17.676 -4.233 830 1HD1 ILE 99 1HD1 ILE 99 0.083 17.521 -5.829 831 2HD1 ILE 99 2HD1 ILE 99 -1.339 16.714 -6.490 832 3HD1 ILE 99 3HD1 ILE 99 -1.282 17.141 -4.780 833 H LYS 100 H LYS 100 1.501 15.334 -7.729 834 HA LYS 100 HA LYS 100 1.786 18.208 -8.312 835 1HB LYS 100 2HB LYS 100 2.574 15.828 -9.952 836 2HB LYS 100 3HB LYS 100 2.076 17.309 -10.760 837 1HG LYS 100 2HG LYS 100 4.018 18.309 -10.343 838 2HG LYS 100 3HG LYS 100 4.019 17.790 -8.655 839 1HD LYS 100 2HD LYS 100 4.680 15.906 -10.902 840 2HD LYS 100 3HD LYS 100 5.905 16.931 -10.150 841 1HE LYS 100 2HE LYS 100 5.890 15.753 -8.208 842 2HE LYS 100 3HE LYS 100 4.176 15.360 -8.333 843 1HZ LYS 100 1HZ LYS 100 6.458 14.036 -9.670 844 2HZ LYS 100 2HZ LYS 100 4.869 13.832 -10.211 845 3HZ LYS 100 3HZ LYS 100 5.299 13.350 -8.647 846 H ASP 101 H ASP 101 0.372 18.931 -10.131 847 HA ASP 101 HA ASP 101 -2.131 17.387 -10.245 848 1HB ASP 101 2HB ASP 101 -3.365 19.556 -10.201 849 2HB ASP 101 3HB ASP 101 -2.510 19.202 -8.702 850 H ARG 102 H ARG 102 -1.360 16.605 -12.287 851 HA ARG 102 HA ARG 102 -0.765 18.387 -14.434 852 1HB ARG 102 2HB ARG 102 -1.259 15.441 -14.200 853 2HB ARG 102 3HB ARG 102 -1.223 16.194 -15.789 854 1HG ARG 102 2HG ARG 102 1.019 16.692 -13.890 855 2HG ARG 102 3HG ARG 102 0.936 15.158 -14.759 856 1HD ARG 102 2HD ARG 102 0.830 16.385 -16.884 857 2HD ARG 102 3HD ARG 102 0.948 17.907 -16.002 858 HE ARG 102 HE ARG 102 3.131 16.356 -15.262 859 1HH1 ARG 102 2HH1 ARG 102 1.867 17.864 -18.134 860 2HH1 ARG 102 1HH1 ARG 102 3.426 18.099 -18.854 861 1HH2 ARG 102 2HH2 ARG 102 5.188 16.661 -16.199 862 2HH2 ARG 102 1HH2 ARG 102 5.314 17.413 -17.753 863 HA PRO 103 HA PRO 103 -4.736 19.362 -16.022 864 1HB PRO 103 2HB PRO 103 -4.321 19.267 -18.703 865 2HB PRO 103 3HB PRO 103 -3.673 20.551 -17.676 866 1HG PRO 103 2HG PRO 103 -2.311 18.106 -18.738 867 2HG PRO 103 3HG PRO 103 -1.705 19.770 -18.638 868 1HD PRO 103 2HD PRO 103 -1.015 17.858 -16.849 869 2HD PRO 103 3HD PRO 103 -1.161 19.571 -16.407 870 H VAL 104 H VAL 104 -6.629 18.408 -16.622 871 HA VAL 104 HA VAL 104 -6.629 15.545 -16.944 872 HB VAL 104 HB VAL 104 -8.317 16.748 -15.555 873 1HG1 VAL 104 1HG1 VAL 104 -9.522 17.558 -18.196 874 2HG1 VAL 104 2HG1 VAL 104 -10.132 17.930 -16.582 875 3HG1 VAL 104 3HG1 VAL 104 -8.619 18.645 -17.141 876 1HG2 VAL 104 1HG2 VAL 104 -10.207 15.379 -16.253 877 2HG2 VAL 104 2HG2 VAL 104 -9.452 15.114 -17.824 878 3HG2 VAL 104 3HG2 VAL 104 -8.703 14.466 -16.365 879 H LYS 105 H LYS 105 -7.022 14.387 -18.748 880 HA LYS 105 HA LYS 105 -7.036 15.817 -21.279 881 1HB LYS 105 2HB LYS 105 -6.697 12.917 -20.534 882 2HB LYS 105 3HB LYS 105 -6.859 13.439 -22.206 883 1HG LYS 105 2HG LYS 105 -4.781 14.666 -20.444 884 2HG LYS 105 3HG LYS 105 -4.503 13.094 -21.197 885 1HD LYS 105 2HD LYS 105 -4.922 14.080 -23.400 886 2HD LYS 105 3HD LYS 105 -5.197 15.651 -22.644 887 1HE LYS 105 2HE LYS 105 -2.819 15.237 -21.630 888 2HE LYS 105 3HE LYS 105 -2.656 14.120 -22.984 889 1HZ LYS 105 1HZ LYS 105 -3.526 16.919 -23.371 890 2HZ LYS 105 2HZ LYS 105 -2.914 15.841 -24.521 891 3HZ LYS 105 3HZ LYS 105 -1.889 16.493 -23.343 892 H GLU 106 H GLU 106 -8.670 15.814 -22.756 893 HA GLU 106 HA GLU 106 -11.305 15.231 -21.791 894 1HB GLU 106 2HB GLU 106 -12.070 16.117 -23.932 895 2HB GLU 106 3HB GLU 106 -10.863 17.178 -23.219 896 1HG GLU 106 2HG GLU 106 -9.166 16.025 -24.692 897 2HG GLU 106 3HG GLU 106 -10.533 15.286 -25.525 898 H VAL 107 H VAL 107 -12.660 13.593 -22.335 899 HA VAL 107 HA VAL 107 -11.499 11.412 -23.935 900 HB VAL 107 HB VAL 107 -13.350 11.435 -21.588 901 1HG1 VAL 107 1HG1 VAL 107 -14.704 10.176 -23.012 902 2HG1 VAL 107 2HG1 VAL 107 -13.324 9.407 -23.798 903 3HG1 VAL 107 3HG1 VAL 107 -13.761 8.964 -22.147 904 1HG2 VAL 107 1HG2 VAL 107 -11.605 9.192 -21.743 905 2HG2 VAL 107 2HG2 VAL 107 -10.682 10.646 -22.121 906 3HG2 VAL 107 3HG2 VAL 107 -11.574 10.537 -20.603 907 H HIS 108 H HIS 108 -12.609 10.530 -25.622 908 HA HIS 108 HA HIS 108 -15.175 11.800 -26.323 909 1HB HIS 108 2HB HIS 108 -12.829 12.005 -27.740 910 2HB HIS 108 3HB HIS 108 -13.640 10.670 -28.553 911 HD1 HIS 108 HD1 HIS 108 -14.586 11.671 -30.614 912 HD2 HIS 108 HD2 HIS 108 -15.268 14.049 -27.277 913 HE1 HIS 108 HE1 HIS 108 -16.043 13.556 -31.419 914 H GLU 109 H GLU 109 -16.289 10.387 -28.128 915 HA GLU 109 HA GLU 109 -16.785 7.831 -26.895 916 1HB GLU 109 2HB GLU 109 -17.973 8.655 -29.519 917 2HB GLU 109 3HB GLU 109 -18.689 7.703 -28.226 918 1HG GLU 109 2HG GLU 109 -18.729 9.779 -26.834 919 2HG GLU 109 3HG GLU 109 -18.231 10.673 -28.270 920 H GLU 110 H GLU 110 -16.833 5.812 -28.129 921 HA GLU 110 HA GLU 110 -15.851 4.201 -29.401 922 1HB GLU 110 2HB GLU 110 -16.523 6.030 -31.189 923 2HB GLU 110 3HB GLU 110 -14.781 6.221 -31.322 924 1HG GLU 110 2HG GLU 110 -14.476 4.058 -32.115 925 2HG GLU 110 3HG GLU 110 -16.048 3.520 -31.526 926 H TYR 111 H TYR 111 -14.389 5.347 -27.263 927 HA TYR 111 HA TYR 111 -11.738 4.485 -28.002 928 1HB TYR 111 2HB TYR 111 -11.946 7.007 -28.537 929 2HB TYR 111 3HB TYR 111 -11.939 7.231 -26.791 930 HD1 TYR 111 HD1 TYR 111 -9.895 8.025 -26.083 931 HD2 TYR 111 HD2 TYR 111 -9.989 5.039 -29.113 932 HE1 TYR 111 HE1 TYR 111 -7.437 7.954 -26.081 933 HE2 TYR 111 HE2 TYR 111 -7.531 4.959 -29.119 934 HH TYR 111 HH TYR 111 -5.613 7.277 -27.379 935 H ASP 112 H ASP 112 -13.891 3.707 -26.172 936 HA ASP 112 HA ASP 112 -13.500 4.374 -23.528 937 1HB ASP 112 2HB ASP 112 -14.050 1.549 -24.431 938 2HB ASP 112 3HB ASP 112 -14.591 2.341 -22.953 939 H LEU 113 H LEU 113 -12.082 3.843 -21.942 940 HA LEU 113 HA LEU 113 -9.515 2.851 -22.725 941 1HB LEU 113 2HB LEU 113 -10.569 3.418 -19.958 942 2HB LEU 113 3HB LEU 113 -8.878 3.228 -20.417 943 HG LEU 113 HG LEU 113 -8.994 5.499 -20.291 944 1HD1 LEU 113 1HD1 LEU 113 -8.796 6.352 -22.415 945 2HD1 LEU 113 2HD1 LEU 113 -10.155 5.416 -23.036 946 3HD1 LEU 113 3HD1 LEU 113 -8.611 4.624 -22.720 947 1HD2 LEU 113 1HD2 LEU 113 -10.896 6.822 -20.467 948 2HD2 LEU 113 2HD2 LEU 113 -11.517 5.314 -19.797 949 3HD2 LEU 113 3HD2 LEU 113 -11.723 5.668 -21.513 950 H TRP 114 H TRP 114 -11.081 1.792 -19.759 951 HA TRP 114 HA TRP 114 -10.295 -0.948 -20.363 952 1HB TRP 114 2HB TRP 114 -11.164 0.488 -17.872 953 2HB TRP 114 3HB TRP 114 -11.177 -1.272 -17.937 954 HD1 TRP 114 HD1 TRP 114 -9.092 1.182 -16.546 955 HE1 TRP 114 HE1 TRP 114 -6.602 0.530 -16.539 956 HE3 TRP 114 HE3 TRP 114 -9.232 -2.595 -19.990 957 HZ2 TRP 114 HZ2 TRP 114 -4.920 -1.338 -17.824 958 HZ3 TRP 114 HZ3 TRP 114 -7.139 -3.762 -20.545 959 HH2 TRP 114 HH2 TRP 114 -5.028 -3.145 -19.484 960 H GLU 115 H GLU 115 -13.104 1.029 -20.304 961 HA GLU 115 HA GLU 115 -15.357 0.559 -20.375 962 1HB GLU 115 2HB GLU 115 -15.891 -1.016 -22.269 963 2HB GLU 115 3HB GLU 115 -14.812 0.311 -22.678 964 1HG GLU 115 2HG GLU 115 -12.899 -1.160 -22.564 965 2HG GLU 115 3HG GLU 115 -13.926 -2.494 -22.043 966 H ASP 116 H ASP 116 -15.027 -0.392 -18.114 967 HA ASP 116 HA ASP 116 -16.650 -2.631 -17.805 968 1HB ASP 116 2HB ASP 116 -15.153 -4.231 -18.440 969 2HB ASP 116 3HB ASP 116 -13.757 -3.222 -18.073 970 HA PRO 117 HA PRO 117 -14.605 -1.661 -13.548 971 1HB PRO 117 2HB PRO 117 -12.449 -0.012 -13.530 972 2HB PRO 117 3HB PRO 117 -12.315 -1.766 -13.705 973 1HG PRO 117 2HG PRO 117 -12.231 0.359 -15.811 974 2HG PRO 117 3HG PRO 117 -11.213 -1.081 -15.634 975 1HD PRO 117 2HD PRO 117 -13.290 -0.970 -17.367 976 2HD PRO 117 3HD PRO 117 -12.802 -2.472 -16.558 977 H ILE 118 H ILE 118 -13.658 1.227 -15.418 978 HA ILE 118 HA ILE 118 -15.186 2.922 -13.641 979 HB ILE 118 HB ILE 118 -14.395 4.690 -15.421 980 1HG1 ILE 118 2HG1 ILE 118 -12.329 4.055 -16.547 981 2HG1 ILE 118 3HG1 ILE 118 -12.425 2.436 -15.863 982 1HG2 ILE 118 1HG2 ILE 118 -12.104 4.658 -14.233 983 2HG2 ILE 118 2HG2 ILE 118 -13.559 4.887 -13.264 984 3HG2 ILE 118 3HG2 ILE 118 -12.774 3.308 -13.318 985 1HD1 ILE 118 1HD1 ILE 118 -14.047 1.772 -17.313 986 2HD1 ILE 118 2HD1 ILE 118 -14.697 3.400 -17.508 987 3HD1 ILE 118 3HD1 ILE 118 -13.199 2.946 -18.319 988 H TRP 119 H TRP 119 -15.830 1.172 -16.430 989 HA TRP 119 HA TRP 119 -17.687 3.003 -17.642 990 1HB TRP 119 2HB TRP 119 -16.344 0.995 -18.700 991 2HB TRP 119 3HB TRP 119 -17.746 0.061 -18.184 992 HD1 TRP 119 HD1 TRP 119 -17.567 3.557 -19.876 993 HE1 TRP 119 HE1 TRP 119 -19.080 3.500 -21.958 994 HE3 TRP 119 HE3 TRP 119 -19.059 -1.328 -19.662 995 HZ2 TRP 119 HZ2 TRP 119 -20.693 1.631 -23.327 996 HZ3 TRP 119 HZ3 TRP 119 -20.588 -2.172 -21.395 997 HH2 TRP 119 HH2 TRP 119 -21.387 -0.721 -23.189 998 H GLN 120 H GLN 120 -17.833 0.400 -15.317 999 HA GLN 120 HA GLN 120 -20.742 0.372 -15.341 1000 1HB GLN 120 2HB GLN 120 -18.609 -1.301 -14.109 1001 2HB GLN 120 3HB GLN 120 -20.176 -1.259 -13.313 1002 1HG GLN 120 2HG GLN 120 -21.189 -1.871 -15.538 1003 2HG GLN 120 3HG GLN 120 -19.546 -2.172 -16.103 1004 1HE2 GLN 120 1HE2 GLN 120 -18.564 -4.041 -15.585 1005 2HE2 GLN 120 2HE2 GLN 120 -19.270 -5.282 -14.614 1006 H TYR 121 H TYR 121 -18.438 0.467 -12.629 1007 HA TYR 121 HA TYR 121 -19.988 2.695 -11.491 1008 1HB TYR 121 2HB TYR 121 -20.646 0.652 -10.333 1009 2HB TYR 121 3HB TYR 121 -18.960 0.265 -10.009 1010 HD1 TYR 121 HD1 TYR 121 -19.050 0.208 -7.638 1011 HD2 TYR 121 HD2 TYR 121 -20.463 3.633 -9.731 1012 HE1 TYR 121 HE1 TYR 121 -19.172 1.447 -5.517 1013 HE2 TYR 121 HE2 TYR 121 -20.588 4.881 -7.615 1014 HH TYR 121 HH TYR 121 -20.125 3.323 -4.532 1015 H ILE 122 H ILE 122 -17.172 0.878 -10.324 1016 HA ILE 122 HA ILE 122 -15.624 3.385 -10.425 1017 HB ILE 122 HB ILE 122 -15.395 1.145 -8.413 1018 1HG1 ILE 122 2HG1 ILE 122 -16.181 4.022 -7.942 1019 2HG1 ILE 122 3HG1 ILE 122 -17.359 2.743 -8.216 1020 1HG2 ILE 122 1HG2 ILE 122 -13.273 1.833 -8.254 1021 2HG2 ILE 122 2HG2 ILE 122 -13.585 3.302 -9.177 1022 3HG2 ILE 122 3HG2 ILE 122 -13.940 3.254 -7.450 1023 1HD1 ILE 122 1HD1 ILE 122 -16.694 1.613 -6.226 1024 2HD1 ILE 122 2HD1 ILE 122 -15.330 2.708 -6.000 1025 3HD1 ILE 122 3HD1 ILE 122 -16.979 3.308 -5.829 Start of MODEL 16 1 H MET 1 H MET 1 -0.234 -3.706 -0.662 2 HA MET 1 HA MET 1 1.680 -3.223 -2.472 3 1HB MET 1 2HB MET 1 -0.191 -5.595 -2.462 4 2HB MET 1 3HB MET 1 1.310 -5.531 -3.376 5 1HG MET 1 2HG MET 1 2.484 -5.111 -1.187 6 2HG MET 1 3HG MET 1 0.961 -5.507 -0.395 7 1HE MET 1 1HE MET 1 1.167 -7.951 0.802 8 2HE MET 1 2HE MET 1 2.696 -8.759 0.457 9 3HE MET 1 3HE MET 1 2.678 -7.042 0.863 10 H GLN 2 H GLN 2 -0.527 -1.504 -3.129 11 HA GLN 2 HA GLN 2 -1.633 -2.349 -5.638 12 1HB GLN 2 2HB GLN 2 -2.446 0.018 -5.761 13 2HB GLN 2 3HB GLN 2 -2.937 -0.845 -4.310 14 1HG GLN 2 2HG GLN 2 -1.715 0.471 -2.941 15 2HG GLN 2 3HG GLN 2 -0.437 0.712 -4.131 16 1HE2 GLN 2 1HE2 GLN 2 -3.045 2.099 -2.578 17 2HE2 GLN 2 2HE2 GLN 2 -3.254 3.481 -3.593 18 H LYS 3 H LYS 3 0.574 -2.886 -6.498 19 HA LYS 3 HA LYS 3 1.443 -0.718 -8.207 20 1HB LYS 3 2HB LYS 3 3.888 -1.240 -7.588 21 2HB LYS 3 3HB LYS 3 2.960 -0.216 -6.500 22 1HG LYS 3 2HG LYS 3 3.075 -1.686 -4.817 23 2HG LYS 3 3HG LYS 3 2.822 -3.074 -5.878 24 1HD LYS 3 2HD LYS 3 5.407 -1.719 -6.214 25 2HD LYS 3 3HD LYS 3 5.169 -2.480 -4.639 26 1HE LYS 3 2HE LYS 3 4.430 -4.545 -5.939 27 2HE LYS 3 3HE LYS 3 5.100 -3.752 -7.363 28 1HZ LYS 3 1HZ LYS 3 6.530 -4.633 -4.926 29 2HZ LYS 3 2HZ LYS 3 7.217 -3.553 -6.031 30 3HZ LYS 3 3HZ LYS 3 6.796 -5.115 -6.526 31 H GLY 4 H GLY 4 2.191 -1.432 -10.148 32 1HA GLY 4 2HA GLY 4 3.100 -2.942 -11.688 33 2HA GLY 4 3HA GLY 4 3.071 -4.188 -10.450 34 H LEU 5 H LEU 5 0.157 -2.461 -10.737 35 HA LEU 5 HA LEU 5 -0.974 -4.464 -12.561 36 1HB LEU 5 2HB LEU 5 -1.743 -3.878 -9.756 37 2HB LEU 5 3HB LEU 5 -3.040 -4.192 -10.907 38 HG LEU 5 HG LEU 5 -2.470 -6.213 -9.702 39 1HD1 LEU 5 1HD1 LEU 5 -3.022 -6.173 -12.219 40 2HD1 LEU 5 2HD1 LEU 5 -2.379 -7.657 -11.517 41 3HD1 LEU 5 3HD1 LEU 5 -1.323 -6.589 -12.442 42 1HD2 LEU 5 1HD2 LEU 5 0.094 -5.272 -9.711 43 2HD2 LEU 5 2HD2 LEU 5 0.173 -6.569 -10.903 44 3HD2 LEU 5 3HD2 LEU 5 -0.388 -6.908 -9.264 45 H GLU 6 H GLU 6 -3.059 -3.834 -13.477 46 HA GLU 6 HA GLU 6 -3.183 -0.928 -13.855 47 1HB GLU 6 2HB GLU 6 -4.630 -2.983 -15.512 48 2HB GLU 6 3HB GLU 6 -4.222 -1.328 -15.940 49 1HG GLU 6 2HG GLU 6 -1.887 -1.893 -16.092 50 2HG GLU 6 3HG GLU 6 -2.215 -3.530 -15.527 51 H ILE 7 H ILE 7 -4.802 0.228 -13.045 52 HA ILE 7 HA ILE 7 -7.375 -1.051 -12.505 53 HB ILE 7 HB ILE 7 -7.353 0.347 -10.288 54 1HG1 ILE 7 2HG1 ILE 7 -4.931 1.115 -11.020 55 2HG1 ILE 7 3HG1 ILE 7 -5.319 0.839 -9.326 56 1HG2 ILE 7 1HG2 ILE 7 -7.710 -1.976 -10.200 57 2HG2 ILE 7 2HG2 ILE 7 -6.067 -2.331 -10.729 58 3HG2 ILE 7 3HG2 ILE 7 -6.351 -1.675 -9.117 59 1HD1 ILE 7 1HD1 ILE 7 -3.143 -0.139 -10.377 60 2HD1 ILE 7 2HD1 ILE 7 -4.080 -1.082 -9.218 61 3HD1 ILE 7 3HD1 ILE 7 -4.230 -1.407 -10.945 62 H ALA 8 H ALA 8 -9.136 0.343 -12.528 63 HA ALA 8 HA ALA 8 -8.547 3.109 -13.365 64 1HB ALA 8 1HB ALA 8 -10.062 3.014 -15.059 65 2HB ALA 8 2HB ALA 8 -9.585 1.316 -15.024 66 3HB ALA 8 3HB ALA 8 -11.077 1.830 -14.236 67 H PHE 9 H PHE 9 -9.846 4.749 -12.573 68 HA PHE 9 HA PHE 9 -11.931 4.024 -10.646 69 1HB PHE 9 2HB PHE 9 -10.002 4.360 -9.255 70 2HB PHE 9 3HB PHE 9 -9.586 5.848 -10.099 71 HD1 PHE 9 HD1 PHE 9 -10.166 7.848 -9.133 72 HD2 PHE 9 HD2 PHE 9 -12.397 4.358 -8.154 73 HE1 PHE 9 HE1 PHE 9 -11.464 9.142 -7.490 74 HE2 PHE 9 HE2 PHE 9 -13.699 5.646 -6.511 75 HZ PHE 9 HZ PHE 9 -13.234 8.042 -6.178 76 H GLN 10 H GLN 10 -13.662 5.365 -10.630 77 HA GLN 10 HA GLN 10 -13.651 7.532 -12.597 78 1HB GLN 10 2HB GLN 10 -16.045 7.370 -12.598 79 2HB GLN 10 3HB GLN 10 -15.390 5.744 -12.727 80 1HG GLN 10 2HG GLN 10 -16.870 5.272 -11.122 81 2HG GLN 10 3HG GLN 10 -15.657 5.965 -10.048 82 1HE2 GLN 10 1HE2 GLN 10 -18.239 7.124 -12.195 83 2HE2 GLN 10 2HE2 GLN 10 -18.901 8.254 -11.068 84 H THR 11 H THR 11 -14.811 9.534 -12.081 85 HA THR 11 HA THR 11 -15.228 10.219 -9.315 86 HB THR 11 HB THR 11 -12.900 10.565 -9.203 87 HG1 THR 11 HG1 THR 11 -12.807 13.001 -9.354 88 1HG2 THR 11 1HG2 THR 11 -11.816 10.584 -11.169 89 2HG2 THR 11 2HG2 THR 11 -12.091 12.326 -11.146 90 3HG2 THR 11 3HG2 THR 11 -13.197 11.270 -12.024 91 H ILE 12 H ILE 12 -16.332 12.177 -9.042 92 HA ILE 12 HA ILE 12 -17.090 13.593 -11.505 93 HB ILE 12 HB ILE 12 -19.140 13.181 -9.372 94 1HG1 ILE 12 2HG1 ILE 12 -19.850 11.236 -11.080 95 2HG1 ILE 12 3HG1 ILE 12 -18.101 11.126 -11.251 96 1HG2 ILE 12 1HG2 ILE 12 -19.980 14.641 -10.910 97 2HG2 ILE 12 2HG2 ILE 12 -19.054 13.946 -12.240 98 3HG2 ILE 12 3HG2 ILE 12 -20.493 13.121 -11.643 99 1HD1 ILE 12 1HD1 ILE 12 -17.887 10.107 -9.293 100 2HD1 ILE 12 2HD1 ILE 12 -18.926 11.277 -8.478 101 3HD1 ILE 12 3HD1 ILE 12 -19.638 9.904 -9.326 102 H ASN 13 H ASN 13 -17.396 13.688 -7.952 103 HA ASN 13 HA ASN 13 -16.127 16.208 -7.730 104 1HB ASN 13 2HB ASN 13 -18.582 16.613 -8.676 105 2HB ASN 13 3HB ASN 13 -19.000 16.467 -6.971 106 1HD2 ASN 13 1HD2 ASN 13 -19.615 18.607 -6.812 107 2HD2 ASN 13 2HD2 ASN 13 -18.473 19.904 -6.825 108 H GLY 14 H GLY 14 -16.325 17.096 -5.465 109 1HA GLY 14 2HA GLY 14 -16.435 16.821 -3.170 110 2HA GLY 14 3HA GLY 14 -17.340 15.337 -3.427 111 H LEU 15 H LEU 15 -16.287 13.898 -2.184 112 HA LEU 15 HA LEU 15 -13.549 13.837 -1.659 113 1HB LEU 15 2HB LEU 15 -15.711 11.768 -1.538 114 2HB LEU 15 3HB LEU 15 -14.038 11.342 -1.183 115 HG LEU 15 HG LEU 15 -14.082 13.131 0.596 116 1HD1 LEU 15 1HD1 LEU 15 -15.866 14.516 0.076 117 2HD1 LEU 15 2HD1 LEU 15 -16.494 13.550 1.411 118 3HD1 LEU 15 3HD1 LEU 15 -16.953 13.165 -0.247 119 1HD2 LEU 15 1HD2 LEU 15 -15.604 10.582 0.633 120 2HD2 LEU 15 2HD2 LEU 15 -15.755 11.655 2.025 121 3HD2 LEU 15 3HD2 LEU 15 -14.168 11.058 1.538 122 H ASP 16 H ASP 16 -15.319 12.796 -4.424 123 HA ASP 16 HA ASP 16 -13.694 10.816 -5.484 124 1HB ASP 16 2HB ASP 16 -15.022 12.977 -7.124 125 2HB ASP 16 3HB ASP 16 -14.656 11.325 -7.615 126 H GLU 17 H GLU 17 -13.600 14.224 -6.535 127 HA GLU 17 HA GLU 17 -11.217 14.107 -7.922 128 1HB GLU 17 2HB GLU 17 -13.021 16.067 -7.383 129 2HB GLU 17 3HB GLU 17 -11.654 16.607 -6.419 130 1HG GLU 17 2HG GLU 17 -11.184 15.808 -9.243 131 2HG GLU 17 3HG GLU 17 -11.946 17.361 -8.910 132 H SER 18 H SER 18 -11.704 14.968 -4.507 133 HA SER 18 HA SER 18 -9.083 15.538 -3.823 134 1HB SER 18 2HB SER 18 -11.043 14.097 -2.026 135 2HB SER 18 3HB SER 18 -9.717 15.153 -1.538 136 HG SER 18 HG SER 18 -12.084 15.944 -1.761 137 H LEU 19 H LEU 19 -10.738 12.401 -3.850 138 HA LEU 19 HA LEU 19 -8.568 10.897 -2.849 139 1HB LEU 19 2HB LEU 19 -10.888 10.101 -2.864 140 2HB LEU 19 3HB LEU 19 -10.842 10.018 -4.623 141 HG LEU 19 HG LEU 19 -10.561 7.853 -3.220 142 1HD1 LEU 19 1HD1 LEU 19 -10.203 7.216 -5.319 143 2HD1 LEU 19 2HD1 LEU 19 -8.484 7.451 -5.008 144 3HD1 LEU 19 3HD1 LEU 19 -9.434 8.749 -5.730 145 1HD2 LEU 19 1HD2 LEU 19 -8.540 7.384 -2.266 146 2HD2 LEU 19 2HD2 LEU 19 -8.619 9.119 -1.959 147 3HD2 LEU 19 3HD2 LEU 19 -7.661 8.504 -3.307 148 H VAL 20 H VAL 20 -9.475 11.933 -6.072 149 HA VAL 20 HA VAL 20 -7.745 10.243 -7.529 150 HB VAL 20 HB VAL 20 -8.778 12.986 -8.266 151 1HG1 VAL 20 1HG1 VAL 20 -7.462 10.830 -9.904 152 2HG1 VAL 20 2HG1 VAL 20 -8.382 12.162 -10.607 153 3HG1 VAL 20 3HG1 VAL 20 -6.924 12.493 -9.670 154 1HG2 VAL 20 1HG2 VAL 20 -10.748 12.051 -8.706 155 2HG2 VAL 20 2HG2 VAL 20 -9.991 10.753 -9.631 156 3HG2 VAL 20 3HG2 VAL 20 -10.174 10.600 -7.883 157 H GLN 21 H GLN 21 -7.367 13.670 -6.608 158 HA GLN 21 HA GLN 21 -4.679 13.842 -7.488 159 1HB GLN 21 2HB GLN 21 -6.471 15.549 -5.810 160 2HB GLN 21 3HB GLN 21 -4.747 15.894 -5.841 161 1HG GLN 21 2HG GLN 21 -4.923 15.977 -8.349 162 2HG GLN 21 3HG GLN 21 -6.673 15.918 -8.145 163 1HE2 GLN 21 1HE2 GLN 21 -3.780 17.784 -7.524 164 2HE2 GLN 21 2HE2 GLN 21 -4.575 19.300 -7.291 165 H ALA 22 H ALA 22 -6.167 12.818 -4.519 166 HA ALA 22 HA ALA 22 -3.825 13.013 -2.895 167 1HB ALA 22 1HB ALA 22 -6.481 11.662 -2.565 168 2HB ALA 22 2HB ALA 22 -5.182 11.437 -1.393 169 3HB ALA 22 3HB ALA 22 -5.826 13.051 -1.697 170 H LEU 23 H LEU 23 -5.517 10.266 -4.410 171 HA LEU 23 HA LEU 23 -3.650 8.307 -3.650 172 1HB LEU 23 2HB LEU 23 -4.837 6.847 -4.971 173 2HB LEU 23 3HB LEU 23 -6.042 8.084 -4.619 174 HG LEU 23 HG LEU 23 -5.181 9.065 -6.923 175 1HD1 LEU 23 1HD1 LEU 23 -5.045 6.360 -7.918 176 2HD1 LEU 23 2HD1 LEU 23 -3.728 6.698 -6.795 177 3HD1 LEU 23 3HD1 LEU 23 -3.965 7.725 -8.209 178 1HD2 LEU 23 1HD2 LEU 23 -6.971 7.693 -8.033 179 2HD2 LEU 23 2HD2 LEU 23 -7.466 8.530 -6.561 180 3HD2 LEU 23 3HD2 LEU 23 -7.123 6.800 -6.520 181 H ALA 24 H ALA 24 -3.798 10.478 -6.402 182 HA ALA 24 HA ALA 24 -1.807 9.247 -7.976 183 1HB ALA 24 1HB ALA 24 -3.079 11.934 -7.898 184 2HB ALA 24 2HB ALA 24 -1.594 11.734 -8.830 185 3HB ALA 24 3HB ALA 24 -3.009 10.751 -9.205 186 H GLY 25 H GLY 25 -1.643 11.868 -5.578 187 1HA GLY 25 2HA GLY 25 1.159 12.285 -5.865 188 2HA GLY 25 3HA GLY 25 0.156 12.861 -4.542 189 H VAL 26 H VAL 26 -0.790 10.291 -3.706 190 HA VAL 26 HA VAL 26 1.270 9.580 -1.920 191 HB VAL 26 HB VAL 26 -1.232 8.061 -2.669 192 1HG1 VAL 26 1HG1 VAL 26 0.958 7.480 -0.771 193 2HG1 VAL 26 2HG1 VAL 26 -0.686 7.226 -0.183 194 3HG1 VAL 26 3HG1 VAL 26 -0.125 6.383 -1.627 195 1HG2 VAL 26 1HG2 VAL 26 -2.352 9.458 -1.351 196 2HG2 VAL 26 2HG2 VAL 26 -1.190 9.243 -0.043 197 3HG2 VAL 26 3HG2 VAL 26 -0.906 10.465 -1.282 198 H THR 27 H THR 27 -0.047 7.866 -4.750 199 HA THR 27 HA THR 27 1.790 5.713 -4.622 200 HB THR 27 HB THR 27 0.514 6.580 -7.197 201 HG1 THR 27 HG1 THR 27 -0.750 5.626 -4.862 202 1HG2 THR 27 1HG2 THR 27 0.984 3.875 -5.934 203 2HG2 THR 27 2HG2 THR 27 1.980 4.610 -7.190 204 3HG2 THR 27 3HG2 THR 27 0.308 4.168 -7.536 205 H ALA 28 H ALA 28 1.786 8.790 -6.349 206 HA ALA 28 HA ALA 28 4.112 8.243 -7.901 207 1HB ALA 28 1HB ALA 28 4.085 10.652 -8.393 208 2HB ALA 28 2HB ALA 28 2.503 9.906 -8.622 209 3HB ALA 28 3HB ALA 28 2.821 10.872 -7.182 210 H SER 29 H SER 29 3.540 9.534 -4.710 211 HA SER 29 HA SER 29 6.168 10.619 -4.367 212 1HB SER 29 2HB SER 29 5.517 10.920 -2.027 213 2HB SER 29 3HB SER 29 4.224 11.464 -3.096 214 HG SER 29 HG SER 29 3.755 9.983 -1.189 215 H ASP 30 H ASP 30 4.519 7.673 -3.271 216 HA ASP 30 HA ASP 30 6.934 6.638 -2.066 217 1HB ASP 30 2HB ASP 30 4.462 6.255 -1.317 218 2HB ASP 30 3HB ASP 30 4.468 4.998 -2.551 219 H PHE 31 H PHE 31 5.539 6.658 -5.152 220 HA PHE 31 HA PHE 31 5.696 5.101 -6.919 221 1HB PHE 31 2HB PHE 31 8.284 5.258 -7.545 222 2HB PHE 31 3HB PHE 31 7.197 6.633 -7.718 223 HD1 PHE 31 HD1 PHE 31 8.070 8.628 -7.029 224 HD2 PHE 31 HD2 PHE 31 9.195 5.077 -4.970 225 HE1 PHE 31 HE1 PHE 31 9.509 9.953 -5.538 226 HE2 PHE 31 HE2 PHE 31 10.635 6.397 -3.474 227 HZ PHE 31 HZ PHE 31 10.793 8.838 -3.756 228 HA PRO 32 HA PRO 32 7.300 1.519 -4.369 229 1HB PRO 32 2HB PRO 32 5.027 0.043 -4.529 230 2HB PRO 32 3HB PRO 32 5.307 1.240 -3.259 231 1HG PRO 32 2HG PRO 32 3.716 1.492 -5.782 232 2HG PRO 32 3HG PRO 32 3.316 2.049 -4.147 233 1HD PRO 32 2HD PRO 32 4.276 3.710 -6.058 234 2HD PRO 32 3HD PRO 32 4.629 3.935 -4.332 235 H ASP 33 H ASP 33 5.680 1.898 -7.431 236 HA ASP 33 HA ASP 33 6.640 -0.699 -8.372 237 1HB ASP 33 2HB ASP 33 4.274 0.290 -8.822 238 2HB ASP 33 3HB ASP 33 5.093 1.247 -10.054 239 H LEU 34 H LEU 34 7.454 2.619 -8.452 240 HA LEU 34 HA LEU 34 9.156 3.775 -9.420 241 1HB LEU 34 2HB LEU 34 10.333 1.225 -10.439 242 2HB LEU 34 3HB LEU 34 11.149 2.676 -9.860 243 HG LEU 34 HG LEU 34 9.651 0.760 -8.077 244 1HD1 LEU 34 1HD1 LEU 34 12.557 0.883 -8.837 245 2HD1 LEU 34 2HD1 LEU 34 11.455 -0.489 -8.942 246 3HD1 LEU 34 3HD1 LEU 34 11.983 0.097 -7.365 247 1HD2 LEU 34 1HD2 LEU 34 11.759 2.708 -7.236 248 2HD2 LEU 34 2HD2 LEU 34 10.471 1.971 -6.284 249 3HD2 LEU 34 3HD2 LEU 34 10.091 3.239 -7.450 250 H ASP 35 H ASP 35 6.774 2.579 -10.992 251 HA ASP 35 HA ASP 35 7.489 3.785 -13.494 252 1HB ASP 35 2HB ASP 35 7.317 0.814 -13.230 253 2HB ASP 35 3HB ASP 35 6.697 1.566 -14.697 254 H ILE 36 H ILE 36 5.607 4.643 -11.828 255 HA ILE 36 HA ILE 36 3.031 3.497 -12.254 256 HB ILE 36 HB ILE 36 3.427 4.811 -10.265 257 1HG1 ILE 36 2HG1 ILE 36 1.606 6.706 -11.565 258 2HG1 ILE 36 3HG1 ILE 36 1.216 5.021 -11.891 259 1HG2 ILE 36 1HG2 ILE 36 4.748 6.556 -12.038 260 2HG2 ILE 36 2HG2 ILE 36 3.419 7.465 -11.320 261 3HG2 ILE 36 3HG2 ILE 36 4.614 6.685 -10.284 262 1HD1 ILE 36 1HD1 ILE 36 0.584 6.536 -9.619 263 2HD1 ILE 36 2HD1 ILE 36 0.293 4.818 -9.896 264 3HD1 ILE 36 3HD1 ILE 36 1.781 5.345 -9.111 265 H LYS 37 H LYS 37 1.823 3.633 -14.014 266 HA LYS 37 HA LYS 37 2.180 5.953 -15.797 267 1HB LYS 37 2HB LYS 37 2.137 3.062 -16.359 268 2HB LYS 37 3HB LYS 37 1.139 4.033 -17.434 269 1HG LYS 37 2HG LYS 37 3.199 3.914 -18.510 270 2HG LYS 37 3HG LYS 37 3.209 5.501 -17.737 271 1HD LYS 37 2HD LYS 37 4.244 3.494 -15.949 272 2HD LYS 37 3HD LYS 37 5.119 3.470 -17.482 273 1HE LYS 37 2HE LYS 37 4.590 6.140 -16.353 274 2HE LYS 37 3HE LYS 37 5.698 5.129 -15.427 275 1HZ LYS 37 1HZ LYS 37 7.020 6.318 -16.933 276 2HZ LYS 37 2HZ LYS 37 5.971 6.037 -18.230 277 3HZ LYS 37 3HZ LYS 37 6.897 4.768 -17.601 278 H TYR 38 H TYR 38 0.488 7.011 -14.610 279 HA TYR 38 HA TYR 38 -2.191 5.983 -15.284 280 1HB TYR 38 2HB TYR 38 -3.055 6.722 -13.234 281 2HB TYR 38 3HB TYR 38 -1.502 6.018 -12.799 282 HD1 TYR 38 HD1 TYR 38 0.512 7.765 -12.830 283 HD2 TYR 38 HD2 TYR 38 -3.591 8.779 -12.339 284 HE1 TYR 38 HE1 TYR 38 1.169 9.874 -11.747 285 HE2 TYR 38 HE2 TYR 38 -2.945 10.891 -11.256 286 HH TYR 38 HH TYR 38 0.259 12.074 -11.298 287 H ASN 39 H ASN 39 -3.845 7.905 -15.062 288 HA ASN 39 HA ASN 39 -2.955 10.516 -15.713 289 1HB ASN 39 2HB ASN 39 -3.055 8.679 -17.890 290 2HB ASN 39 3HB ASN 39 -4.372 9.830 -18.092 291 1HD2 ASN 39 1HD2 ASN 39 -2.012 9.537 -19.703 292 2HD2 ASN 39 2HD2 ASN 39 -1.166 11.041 -19.631 293 H ILE 40 H ILE 40 -4.733 11.990 -16.136 294 HA ILE 40 HA ILE 40 -7.350 10.885 -15.351 295 HB ILE 40 HB ILE 40 -7.181 13.634 -14.608 296 1HG1 ILE 40 2HG1 ILE 40 -4.701 13.066 -14.553 297 2HG1 ILE 40 3HG1 ILE 40 -5.386 13.688 -13.055 298 1HG2 ILE 40 1HG2 ILE 40 -7.727 12.731 -12.388 299 2HG2 ILE 40 2HG2 ILE 40 -8.721 12.020 -13.658 300 3HG2 ILE 40 3HG2 ILE 40 -7.376 11.106 -12.976 301 1HD1 ILE 40 1HD1 ILE 40 -3.798 11.561 -13.144 302 2HD1 ILE 40 2HD1 ILE 40 -5.086 11.740 -11.952 303 3HD1 ILE 40 3HD1 ILE 40 -5.346 10.754 -13.391 304 H PHE 41 H PHE 41 -8.895 11.224 -16.795 305 HA PHE 41 HA PHE 41 -8.723 13.596 -18.525 306 1HB PHE 41 2HB PHE 41 -9.884 11.987 -20.254 307 2HB PHE 41 3HB PHE 41 -8.133 11.993 -20.079 308 HD1 PHE 41 HD1 PHE 41 -7.066 9.973 -19.881 309 HD2 PHE 41 HD2 PHE 41 -11.124 10.294 -18.636 310 HE1 PHE 41 HE1 PHE 41 -7.106 7.560 -19.400 311 HE2 PHE 41 HE2 PHE 41 -11.170 7.882 -18.152 312 HZ PHE 41 HZ PHE 41 -9.159 6.512 -18.533 313 H LEU 42 H LEU 42 -10.690 14.511 -19.164 314 HA LEU 42 HA LEU 42 -12.969 13.716 -17.492 315 1HB LEU 42 2HB LEU 42 -12.280 15.976 -17.128 316 2HB LEU 42 3HB LEU 42 -12.281 16.309 -18.859 317 HG LEU 42 HG LEU 42 -14.208 17.211 -17.382 318 1HD1 LEU 42 1HD1 LEU 42 -15.485 17.411 -19.263 319 2HD1 LEU 42 2HD1 LEU 42 -15.237 15.734 -19.748 320 3HD1 LEU 42 3HD1 LEU 42 -13.955 16.920 -19.990 321 1HD2 LEU 42 1HD2 LEU 42 -15.599 14.672 -17.975 322 2HD2 LEU 42 2HD2 LEU 42 -15.831 15.813 -16.651 323 3HD2 LEU 42 3HD2 LEU 42 -14.491 14.666 -16.603 324 H VAL 43 H VAL 43 -14.557 12.632 -18.432 325 HA VAL 43 HA VAL 43 -14.874 12.804 -21.345 326 HB VAL 43 HB VAL 43 -15.659 10.668 -21.370 327 1HG1 VAL 43 1HG1 VAL 43 -13.434 10.937 -19.957 328 2HG1 VAL 43 2HG1 VAL 43 -14.445 10.230 -18.695 329 3HG1 VAL 43 3HG1 VAL 43 -14.191 9.364 -20.211 330 1HG2 VAL 43 1HG2 VAL 43 -16.807 9.612 -19.378 331 2HG2 VAL 43 2HG2 VAL 43 -16.785 11.210 -18.632 332 3HG2 VAL 43 3HG2 VAL 43 -17.660 10.954 -20.141 333 H ASP 44 H ASP 44 -16.715 13.516 -22.287 334 HA ASP 44 HA ASP 44 -19.013 14.139 -20.568 335 1HB ASP 44 2HB ASP 44 -18.023 16.263 -20.728 336 2HB ASP 44 3HB ASP 44 -17.544 16.014 -22.405 337 H LEU 45 H LEU 45 -20.485 12.752 -21.344 338 HA LEU 45 HA LEU 45 -21.286 13.034 -24.129 339 1HB LEU 45 2HB LEU 45 -19.747 10.849 -23.238 340 2HB LEU 45 3HB LEU 45 -21.390 10.251 -23.459 341 HG LEU 45 HG LEU 45 -19.965 9.918 -25.443 342 1HD1 LEU 45 1HD1 LEU 45 -22.105 11.941 -26.044 343 2HD1 LEU 45 2HD1 LEU 45 -22.466 10.292 -25.534 344 3HD1 LEU 45 3HD1 LEU 45 -21.577 10.577 -27.030 345 1HD2 LEU 45 1HD2 LEU 45 -19.110 11.708 -26.715 346 2HD2 LEU 45 2HD2 LEU 45 -18.654 12.053 -25.047 347 3HD2 LEU 45 3HD2 LEU 45 -20.011 12.905 -25.785 348 H TYR 46 H TYR 46 -23.412 12.148 -24.561 349 HA TYR 46 HA TYR 46 -25.616 11.848 -24.088 350 1HB TYR 46 2HB TYR 46 -24.600 10.709 -21.476 351 2HB TYR 46 3HB TYR 46 -26.212 10.486 -22.147 352 HD1 TYR 46 HD1 TYR 46 -26.448 9.214 -24.323 353 HD2 TYR 46 HD2 TYR 46 -22.826 9.288 -22.090 354 HE1 TYR 46 HE1 TYR 46 -25.677 7.208 -25.519 355 HE2 TYR 46 HE2 TYR 46 -22.045 7.282 -23.281 356 HH TYR 46 HH TYR 46 -22.551 5.703 -24.757 357 H GLY 47 H GLY 47 -24.303 14.342 -23.405 358 1HA GLY 47 2HA GLY 47 -24.877 16.339 -22.426 359 2HA GLY 47 3HA GLY 47 -26.416 15.598 -22.014 360 H GLN 48 H GLN 48 -23.752 13.864 -20.842 361 HA GLN 48 HA GLN 48 -24.023 15.143 -18.202 362 1HB GLN 48 2HB GLN 48 -23.792 12.207 -18.865 363 2HB GLN 48 3HB GLN 48 -23.614 12.855 -17.241 364 1HG GLN 48 2HG GLN 48 -26.068 13.563 -18.743 365 2HG GLN 48 3HG GLN 48 -25.912 11.911 -18.147 366 1HE2 GLN 48 1HE2 GLN 48 -27.937 13.189 -17.133 367 2HE2 GLN 48 2HE2 GLN 48 -27.641 13.737 -15.522 368 H LYS 49 H LYS 49 -22.187 15.523 -17.056 369 HA LYS 49 HA LYS 49 -19.658 14.968 -18.443 370 1HB LYS 49 2HB LYS 49 -20.306 17.014 -16.312 371 2HB LYS 49 3HB LYS 49 -18.728 16.796 -17.058 372 1HG LYS 49 2HG LYS 49 -19.448 18.467 -18.381 373 2HG LYS 49 3HG LYS 49 -20.214 17.142 -19.261 374 1HD LYS 49 2HD LYS 49 -22.218 18.017 -18.867 375 2HD LYS 49 3HD LYS 49 -21.931 17.931 -17.127 376 1HE LYS 49 2HE LYS 49 -20.927 20.102 -17.121 377 2HE LYS 49 3HE LYS 49 -20.939 20.171 -18.882 378 1HZ LYS 49 1HZ LYS 49 -23.165 20.599 -18.945 379 2HZ LYS 49 2HZ LYS 49 -22.777 21.358 -17.485 380 3HZ LYS 49 3HZ LYS 49 -23.488 19.824 -17.476 381 H TYR 50 H TYR 50 -18.134 13.710 -17.551 382 HA TYR 50 HA TYR 50 -18.154 13.154 -14.700 383 1HB TYR 50 2HB TYR 50 -18.631 11.034 -16.792 384 2HB TYR 50 3HB TYR 50 -18.051 10.658 -15.174 385 HD1 TYR 50 HD1 TYR 50 -19.512 11.592 -13.209 386 HD2 TYR 50 HD2 TYR 50 -20.913 11.068 -17.192 387 HE1 TYR 50 HE1 TYR 50 -21.828 11.553 -12.383 388 HE2 TYR 50 HE2 TYR 50 -23.233 11.029 -16.377 389 HH TYR 50 HH TYR 50 -23.979 10.967 -12.959 390 H PHE 51 H PHE 51 -16.177 12.509 -13.904 391 HA PHE 51 HA PHE 51 -13.958 12.651 -15.823 392 1HB PHE 51 2HB PHE 51 -13.995 13.079 -12.828 393 2HB PHE 51 3HB PHE 51 -12.554 13.164 -13.836 394 HD1 PHE 51 HD1 PHE 51 -15.897 14.694 -13.338 395 HD2 PHE 51 HD2 PHE 51 -11.956 15.156 -14.878 396 HE1 PHE 51 HE1 PHE 51 -16.349 17.074 -13.770 397 HE2 PHE 51 HE2 PHE 51 -12.401 17.537 -15.312 398 HZ PHE 51 HZ PHE 51 -14.599 18.499 -14.757 399 H ARG 52 H ARG 52 -12.445 11.055 -15.979 400 HA ARG 52 HA ARG 52 -12.713 8.728 -14.207 401 1HB ARG 52 2HB ARG 52 -12.956 8.813 -17.177 402 2HB ARG 52 3HB ARG 52 -12.147 7.430 -16.454 403 1HG ARG 52 2HG ARG 52 -14.074 6.523 -15.834 404 2HG ARG 52 3HG ARG 52 -14.624 8.028 -15.095 405 1HD ARG 52 2HD ARG 52 -16.176 7.516 -16.807 406 2HD ARG 52 3HD ARG 52 -15.174 8.832 -17.418 407 HE ARG 52 HE ARG 52 -13.913 6.660 -18.372 408 1HH1 ARG 52 2HH1 ARG 52 -17.252 7.642 -18.423 409 2HH1 ARG 52 1HH1 ARG 52 -17.600 6.844 -19.921 410 1HH2 ARG 52 2HH2 ARG 52 -14.358 5.606 -20.346 411 2HH2 ARG 52 1HH2 ARG 52 -15.953 5.685 -21.013 412 H ILE 53 H ILE 53 -10.826 7.631 -13.766 413 HA ILE 53 HA ILE 53 -8.363 8.814 -14.874 414 HB ILE 53 HB ILE 53 -7.312 8.788 -12.828 415 1HG1 ILE 53 2HG1 ILE 53 -8.534 7.445 -10.874 416 2HG1 ILE 53 3HG1 ILE 53 -9.155 6.521 -12.238 417 1HG2 ILE 53 1HG2 ILE 53 -8.617 10.043 -11.402 418 2HG2 ILE 53 2HG2 ILE 53 -9.492 10.209 -12.923 419 3HG2 ILE 53 3HG2 ILE 53 -10.060 9.075 -11.699 420 1HD1 ILE 53 1HD1 ILE 53 -6.409 6.793 -12.688 421 2HD1 ILE 53 2HD1 ILE 53 -6.591 6.400 -10.978 422 3HD1 ILE 53 3HD1 ILE 53 -7.288 5.343 -12.206 423 H LEU 54 H LEU 54 -6.831 7.464 -15.644 424 HA LEU 54 HA LEU 54 -7.338 4.572 -15.391 425 1HB LEU 54 2HB LEU 54 -7.480 5.924 -17.683 426 2HB LEU 54 3HB LEU 54 -5.744 5.623 -17.661 427 HG LEU 54 HG LEU 54 -7.981 3.617 -17.789 428 1HD1 LEU 54 1HD1 LEU 54 -5.921 4.668 -19.617 429 2HD1 LEU 54 2HD1 LEU 54 -7.532 4.038 -19.958 430 3HD1 LEU 54 3HD1 LEU 54 -6.194 2.926 -19.671 431 1HD2 LEU 54 1HD2 LEU 54 -6.636 2.493 -16.310 432 2HD2 LEU 54 2HD2 LEU 54 -5.164 3.284 -16.874 433 3HD2 LEU 54 3HD2 LEU 54 -5.907 2.010 -17.842 434 H PHE 55 H PHE 55 -5.866 3.551 -14.222 435 HA PHE 55 HA PHE 55 -3.108 4.588 -14.212 436 1HB PHE 55 2HB PHE 55 -3.955 4.934 -12.026 437 2HB PHE 55 3HB PHE 55 -4.739 3.358 -11.996 438 HD1 PHE 55 HD1 PHE 55 -1.286 4.031 -13.119 439 HD2 PHE 55 HD2 PHE 55 -3.776 2.475 -10.038 440 HE1 PHE 55 HE1 PHE 55 0.691 3.074 -12.010 441 HE2 PHE 55 HE2 PHE 55 -1.804 1.517 -8.923 442 HZ PHE 55 HZ PHE 55 0.433 1.816 -9.908 443 H GLN 56 H GLN 56 -1.631 3.272 -15.037 444 HA GLN 56 HA GLN 56 -2.066 0.373 -14.903 445 1HB GLN 56 2HB GLN 56 -1.360 0.085 -17.201 446 2HB GLN 56 3HB GLN 56 -2.737 1.176 -17.145 447 1HG GLN 56 2HG GLN 56 -1.429 3.046 -17.627 448 2HG GLN 56 3HG GLN 56 0.070 2.214 -17.213 449 1HE2 GLN 56 1HE2 GLN 56 1.236 1.461 -18.829 450 2HE2 GLN 56 2HE2 GLN 56 0.676 1.173 -20.438 451 H SER 57 H SER 57 -0.164 -0.899 -14.943 452 HA SER 57 HA SER 57 2.279 0.618 -14.298 453 1HB SER 57 2HB SER 57 1.587 -2.168 -13.348 454 2HB SER 57 3HB SER 57 2.927 -1.158 -12.806 455 HG SER 57 HG SER 57 1.150 0.361 -12.175 456 H LYS 58 H LYS 58 4.304 -0.814 -14.609 457 HA LYS 58 HA LYS 58 4.194 -1.835 -17.347 458 1HB LYS 58 2HB LYS 58 5.910 -0.088 -16.312 459 2HB LYS 58 3HB LYS 58 6.763 -1.558 -15.859 460 1HG LYS 58 2HG LYS 58 7.689 -0.965 -17.908 461 2HG LYS 58 3HG LYS 58 6.532 -2.235 -18.313 462 1HD LYS 58 2HD LYS 58 5.806 -0.775 -19.860 463 2HD LYS 58 3HD LYS 58 4.979 -0.008 -18.503 464 1HE LYS 58 2HE LYS 58 7.175 1.305 -18.194 465 2HE LYS 58 3HE LYS 58 7.551 0.773 -19.832 466 1HZ LYS 58 1HZ LYS 58 6.331 3.015 -19.433 467 2HZ LYS 58 2HZ LYS 58 4.955 2.040 -19.301 468 3HZ LYS 58 3HZ LYS 58 5.870 2.023 -20.724 469 H LYS 59 H LYS 59 4.242 -2.974 -14.178 470 HA LYS 59 HA LYS 59 5.589 -5.476 -14.851 471 1HB LYS 59 2HB LYS 59 4.454 -4.452 -12.243 472 2HB LYS 59 3HB LYS 59 5.253 -6.007 -12.437 473 1HG LYS 59 2HG LYS 59 6.773 -3.664 -13.369 474 2HG LYS 59 3HG LYS 59 6.500 -3.770 -11.628 475 1HD LYS 59 2HD LYS 59 8.564 -4.870 -12.101 476 2HD LYS 59 3HD LYS 59 7.373 -6.117 -11.724 477 1HE LYS 59 2HE LYS 59 7.235 -6.831 -13.919 478 2HE LYS 59 3HE LYS 59 7.816 -5.295 -14.563 479 1HZ LYS 59 1HZ LYS 59 9.451 -7.112 -14.731 480 2HZ LYS 59 2HZ LYS 59 9.494 -7.216 -13.044 481 3HZ LYS 59 3HZ LYS 59 10.018 -5.806 -13.817 482 H LEU 60 H LEU 60 2.554 -4.222 -15.141 483 HA LEU 60 HA LEU 60 0.761 -6.054 -14.176 484 1HB LEU 60 2HB LEU 60 -0.760 -5.312 -15.804 485 2HB LEU 60 3HB LEU 60 0.294 -3.940 -15.471 486 HG LEU 60 HG LEU 60 1.565 -4.977 -17.599 487 1HD1 LEU 60 1HD1 LEU 60 -1.177 -5.292 -18.609 488 2HD1 LEU 60 2HD1 LEU 60 -0.600 -6.591 -17.565 489 3HD1 LEU 60 3HD1 LEU 60 0.298 -6.167 -19.022 490 1HD2 LEU 60 1HD2 LEU 60 -0.496 -3.383 -18.679 491 2HD2 LEU 60 2HD2 LEU 60 1.135 -2.892 -18.221 492 3HD2 LEU 60 3HD2 LEU 60 -0.181 -2.787 -17.049 493 H SER 61 H SER 61 0.513 -8.168 -14.410 494 HA SER 61 HA SER 61 1.686 -9.467 -16.777 495 1HB SER 61 2HB SER 61 1.414 -11.557 -15.207 496 2HB SER 61 3HB SER 61 2.765 -10.447 -14.971 497 HG SER 61 HG SER 61 1.097 -11.142 -13.160 498 H GLU 62 H GLU 62 0.525 -11.070 -17.876 499 HA GLU 62 HA GLU 62 -2.291 -10.631 -17.998 500 1HB GLU 62 2HB GLU 62 -0.298 -12.241 -19.476 501 2HB GLU 62 3HB GLU 62 -1.944 -12.857 -19.495 502 1HG GLU 62 2HG GLU 62 -2.584 -10.447 -20.173 503 2HG GLU 62 3HG GLU 62 -0.878 -10.291 -20.587 504 H LEU 63 H LEU 63 -0.234 -13.222 -16.762 505 HA LEU 63 HA LEU 63 -2.592 -14.683 -15.831 506 1HB LEU 63 2HB LEU 63 0.275 -15.536 -15.553 507 2HB LEU 63 3HB LEU 63 -1.172 -16.539 -15.478 508 HG LEU 63 HG LEU 63 -1.429 -15.721 -17.984 509 1HD1 LEU 63 1HD1 LEU 63 1.237 -14.875 -17.241 510 2HD1 LEU 63 2HD1 LEU 63 0.301 -14.520 -18.692 511 3HD1 LEU 63 3HD1 LEU 63 1.256 -16.000 -18.600 512 1HD2 LEU 63 1HD2 LEU 63 -1.220 -18.046 -17.151 513 2HD2 LEU 63 2HD2 LEU 63 0.535 -17.867 -17.187 514 3HD2 LEU 63 3HD2 LEU 63 -0.393 -17.776 -18.685 515 H HIS 64 H HIS 64 -1.663 -15.954 -13.616 516 HA HIS 64 HA HIS 64 -1.479 -15.739 -11.359 517 1HB HIS 64 2HB HIS 64 0.454 -13.754 -12.429 518 2HB HIS 64 3HB HIS 64 0.030 -13.608 -10.725 519 HD1 HIS 64 HD1 HIS 64 2.130 -14.467 -9.662 520 HD2 HIS 64 HD2 HIS 64 0.654 -17.036 -12.575 521 HE1 HIS 64 HE1 HIS 64 3.525 -16.552 -9.489 522 HA PRO 65 HA PRO 65 -4.795 -12.480 -11.409 523 1HB PRO 65 2HB PRO 65 -6.729 -14.093 -10.396 524 2HB PRO 65 3HB PRO 65 -6.379 -13.982 -12.125 525 1HG PRO 65 2HG PRO 65 -5.503 -16.049 -10.144 526 2HG PRO 65 3HG PRO 65 -6.097 -16.268 -11.800 527 1HD PRO 65 2HD PRO 65 -3.464 -16.349 -11.175 528 2HD PRO 65 3HD PRO 65 -4.057 -15.746 -12.736 529 H GLU 66 H GLU 66 -3.158 -14.391 -9.142 530 HA GLU 66 HA GLU 66 -4.466 -13.865 -6.747 531 1HB GLU 66 2HB GLU 66 -2.377 -15.328 -7.253 532 2HB GLU 66 3HB GLU 66 -1.469 -13.859 -6.924 533 1HG GLU 66 2HG GLU 66 -3.474 -14.947 -4.981 534 2HG GLU 66 3HG GLU 66 -1.801 -15.501 -5.009 535 H GLU 67 H GLU 67 -1.910 -11.972 -8.343 536 HA GLU 67 HA GLU 67 -1.860 -9.910 -6.405 537 1HB GLU 67 2HB GLU 67 -0.955 -9.997 -9.283 538 2HB GLU 67 3HB GLU 67 -0.704 -8.605 -8.240 539 1HG GLU 67 2HG GLU 67 1.295 -9.923 -8.301 540 2HG GLU 67 3HG GLU 67 0.580 -10.028 -6.694 541 H ARG 68 H ARG 68 -3.691 -10.396 -9.365 542 HA ARG 68 HA ARG 68 -4.717 -7.863 -9.777 543 1HB ARG 68 2HB ARG 68 -5.322 -10.530 -10.636 544 2HB ARG 68 3HB ARG 68 -6.823 -9.691 -10.268 545 1HG ARG 68 2HG ARG 68 -6.642 -8.320 -12.035 546 2HG ARG 68 3HG ARG 68 -4.896 -8.143 -11.850 547 1HD ARG 68 2HD ARG 68 -5.573 -9.295 -13.946 548 2HD ARG 68 3HD ARG 68 -4.509 -10.254 -12.918 549 HE ARG 68 HE ARG 68 -7.039 -11.005 -12.200 550 1HH1 ARG 68 2HH1 ARG 68 -5.223 -10.929 -15.169 551 2HH1 ARG 68 1HH1 ARG 68 -6.047 -12.287 -15.860 552 1HH2 ARG 68 2HH2 ARG 68 -8.131 -12.794 -13.099 553 2HH2 ARG 68 1HH2 ARG 68 -7.701 -13.347 -14.682 554 H LYS 69 H LYS 69 -6.165 -10.473 -7.828 555 HA LYS 69 HA LYS 69 -8.288 -8.881 -6.836 556 1HB LYS 69 2HB LYS 69 -8.594 -10.714 -5.194 557 2HB LYS 69 3HB LYS 69 -8.476 -11.291 -6.851 558 1HG LYS 69 2HG LYS 69 -6.177 -11.959 -6.489 559 2HG LYS 69 3HG LYS 69 -6.225 -11.306 -4.849 560 1HD LYS 69 2HD LYS 69 -8.231 -13.359 -5.681 561 2HD LYS 69 3HD LYS 69 -6.592 -13.861 -5.260 562 1HE LYS 69 2HE LYS 69 -6.795 -13.050 -3.064 563 2HE LYS 69 3HE LYS 69 -8.222 -12.093 -3.460 564 1HZ LYS 69 1HZ LYS 69 -8.022 -14.863 -2.708 565 2HZ LYS 69 2HZ LYS 69 -9.001 -14.607 -4.063 566 3HZ LYS 69 3HZ LYS 69 -9.341 -13.809 -2.611 567 H LYS 70 H LYS 70 -5.048 -9.591 -5.674 568 HA LYS 70 HA LYS 70 -5.296 -8.583 -3.070 569 1HB LYS 70 2HB LYS 70 -3.374 -9.907 -3.763 570 2HB LYS 70 3HB LYS 70 -2.885 -8.653 -4.894 571 1HG LYS 70 2HG LYS 70 -2.135 -7.251 -3.225 572 2HG LYS 70 3HG LYS 70 -3.140 -8.013 -1.990 573 1HD LYS 70 2HD LYS 70 -0.850 -9.426 -3.341 574 2HD LYS 70 3HD LYS 70 -0.658 -8.489 -1.857 575 1HE LYS 70 2HE LYS 70 -2.836 -10.490 -1.892 576 2HE LYS 70 3HE LYS 70 -1.189 -11.119 -1.886 577 1HZ LYS 70 1HZ LYS 70 -2.621 -10.250 0.288 578 2HZ LYS 70 2HZ LYS 70 -1.502 -9.015 0.003 579 3HZ LYS 70 3HZ LYS 70 -0.967 -10.601 0.246 580 H VAL 71 H VAL 71 -4.121 -6.972 -6.024 581 HA VAL 71 HA VAL 71 -3.819 -4.429 -4.803 582 HB VAL 71 HB VAL 71 -3.550 -3.546 -7.046 583 1HG1 VAL 71 1HG1 VAL 71 -1.540 -4.521 -7.417 584 2HG1 VAL 71 2HG1 VAL 71 -1.885 -5.276 -5.860 585 3HG1 VAL 71 3HG1 VAL 71 -2.198 -6.156 -7.356 586 1HG2 VAL 71 1HG2 VAL 71 -5.376 -4.730 -8.140 587 2HG2 VAL 71 2HG2 VAL 71 -3.868 -4.961 -9.023 588 3HG2 VAL 71 3HG2 VAL 71 -4.494 -6.250 -7.996 589 H ARG 72 H ARG 72 -6.465 -6.033 -6.449 590 HA ARG 72 HA ARG 72 -8.107 -3.822 -6.937 591 1HB ARG 72 2HB ARG 72 -8.565 -6.750 -6.595 592 2HB ARG 72 3HB ARG 72 -9.961 -5.681 -6.577 593 1HG ARG 72 2HG ARG 72 -7.925 -5.765 -8.791 594 2HG ARG 72 3HG ARG 72 -9.450 -6.654 -8.801 595 1HD ARG 72 2HD ARG 72 -9.093 -3.662 -8.697 596 2HD ARG 72 3HD ARG 72 -9.703 -4.609 -10.054 597 HE ARG 72 HE ARG 72 -11.334 -5.122 -7.852 598 1HH1 ARG 72 2HH1 ARG 72 -10.503 -2.466 -9.943 599 2HH1 ARG 72 1HH1 ARG 72 -12.036 -1.679 -9.769 600 1HH2 ARG 72 2HH2 ARG 72 -13.357 -4.095 -7.614 601 2HH2 ARG 72 1HH2 ARG 72 -13.658 -2.606 -8.443 602 H GLU 73 H GLU 73 -8.156 -6.079 -4.176 603 HA GLU 73 HA GLU 73 -10.081 -4.564 -2.723 604 1HB GLU 73 2HB GLU 73 -9.653 -6.089 -0.900 605 2HB GLU 73 3HB GLU 73 -9.721 -6.997 -2.404 606 1HG GLU 73 2HG GLU 73 -7.276 -7.059 -2.471 607 2HG GLU 73 3HG GLU 73 -7.219 -6.171 -0.950 608 H LYS 74 H LYS 74 -6.571 -4.695 -2.771 609 HA LYS 74 HA LYS 74 -6.062 -3.224 -0.436 610 1HB LYS 74 2HB LYS 74 -4.316 -4.476 -1.588 611 2HB LYS 74 3HB LYS 74 -4.448 -3.417 -2.986 612 1HG LYS 74 2HG LYS 74 -2.522 -2.766 -1.756 613 2HG LYS 74 3HG LYS 74 -3.751 -1.520 -1.524 614 1HD LYS 74 2HD LYS 74 -2.740 -1.948 0.597 615 2HD LYS 74 3HD LYS 74 -4.363 -2.643 0.628 616 1HE LYS 74 2HE LYS 74 -3.584 -4.804 0.596 617 2HE LYS 74 3HE LYS 74 -2.079 -4.363 -0.209 618 1HZ LYS 74 1HZ LYS 74 -1.409 -3.263 1.898 619 2HZ LYS 74 2HZ LYS 74 -1.581 -4.941 2.028 620 3HZ LYS 74 3HZ LYS 74 -2.782 -3.917 2.639 621 H PHE 75 H PHE 75 -6.253 -2.131 -3.822 622 HA PHE 75 HA PHE 75 -5.961 0.619 -3.193 623 1HB PHE 75 2HB PHE 75 -5.844 0.858 -5.422 624 2HB PHE 75 3HB PHE 75 -5.975 -0.895 -5.515 625 HD1 PHE 75 HD1 PHE 75 -7.812 2.273 -5.782 626 HD2 PHE 75 HD2 PHE 75 -7.976 -1.952 -6.271 627 HE1 PHE 75 HE1 PHE 75 -9.921 2.502 -7.028 628 HE2 PHE 75 HE2 PHE 75 -10.084 -1.730 -7.518 629 HZ PHE 75 HZ PHE 75 -11.060 0.500 -7.899 630 H ASP 76 H ASP 76 -8.717 -1.521 -3.516 631 HA ASP 76 HA ASP 76 -10.758 0.388 -3.669 632 1HB ASP 76 2HB ASP 76 -10.546 -2.468 -3.106 633 2HB ASP 76 3HB ASP 76 -11.859 -1.699 -2.218 634 H GLU 77 H GLU 77 -9.379 -1.240 -0.819 635 HA GLU 77 HA GLU 77 -10.955 0.207 1.051 636 1HB GLU 77 2HB GLU 77 -8.414 -1.395 1.350 637 2HB GLU 77 3HB GLU 77 -9.250 -0.658 2.710 638 1HG GLU 77 2HG GLU 77 -11.187 -2.007 2.337 639 2HG GLU 77 3HG GLU 77 -10.518 -2.634 0.832 640 H ASN 78 H ASN 78 -7.560 0.502 0.024 641 HA ASN 78 HA ASN 78 -6.782 2.607 1.630 642 1HB ASN 78 2HB ASN 78 -5.358 1.255 0.012 643 2HB ASN 78 3HB ASN 78 -5.941 2.331 -1.255 644 1HD2 ASN 78 1HD2 ASN 78 -4.149 2.176 1.754 645 2HD2 ASN 78 2HD2 ASN 78 -3.240 3.624 1.506 646 H SER 79 H SER 79 -8.608 2.674 -1.379 647 HA SER 79 HA SER 79 -8.575 5.526 -1.620 648 1HB SER 79 2HB SER 79 -8.868 4.025 -3.572 649 2HB SER 79 3HB SER 79 -10.429 3.519 -2.926 650 HG SER 79 HG SER 79 -10.936 5.132 -4.287 651 H ARG 80 H ARG 80 -10.920 3.137 -0.460 652 HA ARG 80 HA ARG 80 -12.939 5.058 0.141 653 1HB ARG 80 2HB ARG 80 -14.224 3.281 0.807 654 2HB ARG 80 3HB ARG 80 -13.059 2.438 -0.204 655 1HG ARG 80 2HG ARG 80 -12.938 1.088 1.596 656 2HG ARG 80 3HG ARG 80 -11.771 2.298 2.132 657 1HD ARG 80 2HD ARG 80 -13.105 3.022 3.785 658 2HD ARG 80 3HD ARG 80 -14.549 2.950 2.776 659 HE ARG 80 HE ARG 80 -13.626 0.956 4.612 660 1HH1 ARG 80 2HH1 ARG 80 -15.438 1.497 1.689 661 2HH1 ARG 80 1HH1 ARG 80 -16.397 0.064 1.864 662 1HH2 ARG 80 2HH2 ARG 80 -14.882 -0.932 4.853 663 2HH2 ARG 80 1HH2 ARG 80 -16.081 -1.316 3.665 664 H MET 81 H MET 81 -10.013 4.369 1.591 665 HA MET 81 HA MET 81 -10.299 4.307 4.274 666 1HB MET 81 2HB MET 81 -8.382 5.813 2.535 667 2HB MET 81 3HB MET 81 -8.314 6.020 4.280 668 1HG MET 81 2HG MET 81 -8.130 3.367 2.874 669 2HG MET 81 3HG MET 81 -6.744 4.322 3.396 670 1HE MET 81 1HE MET 81 -8.823 1.678 3.813 671 2HE MET 81 2HE MET 81 -7.618 0.993 4.904 672 3HE MET 81 3HE MET 81 -9.228 1.390 5.506 673 H GLN 82 H GLN 82 -10.531 5.822 5.966 674 HA GLN 82 HA GLN 82 -12.611 7.619 5.748 675 1HB GLN 82 2HB GLN 82 -10.332 7.762 7.729 676 2HB GLN 82 3HB GLN 82 -11.920 8.493 7.920 677 1HG GLN 82 2HG GLN 82 -12.376 6.643 9.085 678 2HG GLN 82 3HG GLN 82 -12.602 5.913 7.496 679 1HE2 GLN 82 1HE2 GLN 82 -10.233 6.454 10.048 680 2HE2 GLN 82 2HE2 GLN 82 -9.302 5.032 9.736 681 H TYR 83 H TYR 83 -12.485 10.017 6.223 682 HA TYR 83 HA TYR 83 -11.108 11.301 4.116 683 1HB TYR 83 2HB TYR 83 -13.269 11.953 5.568 684 2HB TYR 83 3HB TYR 83 -12.070 12.933 6.404 685 HD1 TYR 83 HD1 TYR 83 -10.432 14.218 4.654 686 HD2 TYR 83 HD2 TYR 83 -14.441 13.010 3.897 687 HE1 TYR 83 HE1 TYR 83 -10.614 15.937 2.904 688 HE2 TYR 83 HE2 TYR 83 -14.633 14.724 2.144 689 HH TYR 83 HH TYR 83 -11.876 16.549 1.048 690 H SER 84 H SER 84 -10.440 10.920 7.541 691 HA SER 84 HA SER 84 -8.430 12.832 7.841 692 1HB SER 84 2HB SER 84 -8.932 11.996 9.897 693 2HB SER 84 3HB SER 84 -9.263 10.380 9.273 694 HG SER 84 HG SER 84 -7.262 10.843 10.638 695 H GLU 85 H GLU 85 -8.112 9.367 7.068 696 HA GLU 85 HA GLU 85 -5.311 9.455 6.679 697 1HB GLU 85 2HB GLU 85 -6.580 7.380 7.150 698 2HB GLU 85 3HB GLU 85 -7.307 7.483 5.553 699 1HG GLU 85 2HG GLU 85 -5.616 5.984 5.191 700 2HG GLU 85 3HG GLU 85 -4.843 7.499 4.726 701 H LEU 86 H LEU 86 -8.058 9.884 4.526 702 HA LEU 86 HA LEU 86 -6.648 9.802 2.088 703 1HB LEU 86 2HB LEU 86 -9.266 10.001 2.811 704 2HB LEU 86 3HB LEU 86 -8.943 11.626 2.210 705 HG LEU 86 HG LEU 86 -9.907 10.165 0.490 706 1HD1 LEU 86 1HD1 LEU 86 -8.796 11.456 -0.925 707 2HD1 LEU 86 2HD1 LEU 86 -7.408 10.373 -0.824 708 3HD1 LEU 86 3HD1 LEU 86 -7.546 11.736 0.287 709 1HD2 LEU 86 1HD2 LEU 86 -9.129 8.124 -0.036 710 2HD2 LEU 86 2HD2 LEU 86 -8.396 8.187 1.567 711 3HD2 LEU 86 3HD2 LEU 86 -7.442 8.606 0.143 712 H MET 87 H MET 87 -7.457 12.469 4.271 713 HA MET 87 HA MET 87 -6.145 14.411 2.575 714 1HB MET 87 2HB MET 87 -7.852 14.462 4.962 715 2HB MET 87 3HB MET 87 -6.583 15.680 4.968 716 1HG MET 87 2HG MET 87 -8.560 15.276 2.736 717 2HG MET 87 3HG MET 87 -8.717 16.473 4.019 718 1HE MET 87 1HE MET 87 -8.109 16.137 0.564 719 2HE MET 87 2HE MET 87 -6.614 16.962 0.120 720 3HE MET 87 3HE MET 87 -6.553 15.364 0.866 721 H THR 88 H THR 88 -5.343 12.383 5.246 722 HA THR 88 HA THR 88 -3.076 13.904 6.134 723 HB THR 88 HB THR 88 -4.212 11.223 6.797 724 HG1 THR 88 HG1 THR 88 -3.467 13.574 8.208 725 1HG2 THR 88 1HG2 THR 88 -1.381 12.099 7.332 726 2HG2 THR 88 2HG2 THR 88 -1.940 10.590 6.611 727 3HG2 THR 88 3HG2 THR 88 -2.207 10.900 8.326 728 H LYS 89 H LYS 89 -3.493 10.887 4.292 729 HA LYS 89 HA LYS 89 -0.765 10.423 3.811 730 1HB LYS 89 2HB LYS 89 -3.096 9.077 3.288 731 2HB LYS 89 3HB LYS 89 -2.589 9.563 1.675 732 1HG LYS 89 2HG LYS 89 -1.547 7.542 1.850 733 2HG LYS 89 3HG LYS 89 -0.275 8.606 2.455 734 1HD LYS 89 2HD LYS 89 -2.185 7.620 4.473 735 2HD LYS 89 3HD LYS 89 -1.139 6.397 3.748 736 1HE LYS 89 2HE LYS 89 0.319 8.805 4.444 737 2HE LYS 89 3HE LYS 89 -0.499 8.105 5.840 738 1HZ LYS 89 1HZ LYS 89 0.622 6.066 5.531 739 2HZ LYS 89 2HZ LYS 89 1.804 7.269 5.406 740 3HZ LYS 89 3HZ LYS 89 1.211 6.519 4.011 741 H TYR 90 H TYR 90 -2.794 12.839 2.632 742 HA TYR 90 HA TYR 90 -1.128 13.259 0.247 743 1HB TYR 90 2HB TYR 90 -3.397 13.224 -0.401 744 2HB TYR 90 3HB TYR 90 -3.895 14.188 0.985 745 HD1 TYR 90 HD1 TYR 90 -1.541 14.518 -1.907 746 HD2 TYR 90 HD2 TYR 90 -4.505 16.357 0.528 747 HE1 TYR 90 HE1 TYR 90 -1.396 16.554 -3.280 748 HE2 TYR 90 HE2 TYR 90 -4.370 18.398 -0.838 749 HH TYR 90 HH TYR 90 -2.696 19.503 -2.333 750 H HIS 91 H HIS 91 -2.479 14.928 3.067 751 HA HIS 91 HA HIS 91 -0.923 17.309 2.565 752 1HB HIS 91 2HB HIS 91 -3.146 17.502 3.568 753 2HB HIS 91 3HB HIS 91 -2.629 16.524 4.938 754 HD1 HIS 91 HD1 HIS 91 -1.426 17.700 6.820 755 HD2 HIS 91 HD2 HIS 91 -1.988 20.124 3.492 756 HE1 HIS 91 HE1 HIS 91 -0.776 20.015 7.557 757 H ASP 92 H ASP 92 -0.360 14.321 4.010 758 HA ASP 92 HA ASP 92 1.706 15.379 5.802 759 1HB ASP 92 2HB ASP 92 -0.063 13.578 6.467 760 2HB ASP 92 3HB ASP 92 0.993 12.472 5.593 761 H LEU 93 H LEU 93 1.258 13.086 3.136 762 HA LEU 93 HA LEU 93 3.969 12.319 2.930 763 1HB LEU 93 2HB LEU 93 1.651 12.234 1.025 764 2HB LEU 93 3HB LEU 93 3.258 11.687 0.553 765 HG LEU 93 HG LEU 93 1.487 10.516 2.693 766 1HD1 LEU 93 1HD1 LEU 93 2.069 9.890 -0.103 767 2HD1 LEU 93 2HD1 LEU 93 0.713 9.402 0.914 768 3HD1 LEU 93 3HD1 LEU 93 2.238 8.519 0.994 769 1HD2 LEU 93 1HD2 LEU 93 3.685 10.393 3.564 770 2HD2 LEU 93 2HD2 LEU 93 4.360 9.954 1.994 771 3HD2 LEU 93 3HD2 LEU 93 3.337 8.811 2.867 772 H LYS 94 H LYS 94 2.347 15.184 2.075 773 HA LYS 94 HA LYS 94 3.960 15.988 -0.124 774 1HB LYS 94 2HB LYS 94 3.068 18.287 0.445 775 2HB LYS 94 3HB LYS 94 1.855 17.057 0.114 776 1HG LYS 94 2HG LYS 94 0.889 17.682 2.011 777 2HG LYS 94 3HG LYS 94 2.224 16.881 2.843 778 1HD LYS 94 2HD LYS 94 2.589 19.684 1.894 779 2HD LYS 94 3HD LYS 94 1.627 19.393 3.345 780 1HE LYS 94 2HE LYS 94 3.723 17.868 3.944 781 2HE LYS 94 3HE LYS 94 4.532 19.009 2.871 782 1HZ LYS 94 1HZ LYS 94 3.581 20.814 4.261 783 2HZ LYS 94 2HZ LYS 94 4.683 19.829 5.084 784 3HZ LYS 94 3HZ LYS 94 3.022 19.642 5.346 785 H LYS 95 H LYS 95 4.626 15.662 3.150 786 HA LYS 95 HA LYS 95 6.272 17.840 3.722 787 1HB LYS 95 2HB LYS 95 5.452 15.765 5.165 788 2HB LYS 95 3HB LYS 95 7.038 15.141 4.733 789 1HG LYS 95 2HG LYS 95 6.615 17.830 6.009 790 2HG LYS 95 3HG LYS 95 6.909 16.349 6.924 791 1HD LYS 95 2HD LYS 95 9.091 16.701 6.669 792 2HD LYS 95 3HD LYS 95 8.885 16.423 4.938 793 1HE LYS 95 2HE LYS 95 8.191 18.905 4.850 794 2HE LYS 95 3HE LYS 95 8.941 19.017 6.441 795 1HZ LYS 95 1HZ LYS 95 10.996 18.145 5.454 796 2HZ LYS 95 2HZ LYS 95 10.523 19.610 4.754 797 3HZ LYS 95 3HZ LYS 95 10.266 18.156 3.928 798 H GLN 96 H GLN 96 7.131 14.672 2.346 799 HA GLN 96 HA GLN 96 9.645 15.879 1.394 800 1HB GLN 96 2HB GLN 96 9.134 12.999 2.161 801 2HB GLN 96 3HB GLN 96 10.642 13.625 1.507 802 1HG GLN 96 2HG GLN 96 9.465 14.733 4.026 803 2HG GLN 96 3HG GLN 96 10.456 13.275 4.036 804 1HE2 GLN 96 1HE2 GLN 96 12.596 13.494 2.943 805 2HE2 GLN 96 2HE2 GLN 96 13.458 14.973 3.175 806 H GLY 97 H GLY 97 6.855 13.933 0.636 807 1HA GLY 97 2HA GLY 97 7.826 13.355 -2.053 808 2HA GLY 97 3HA GLY 97 6.320 12.790 -1.345 809 H LYS 98 H LYS 98 7.810 15.127 -3.328 810 HA LYS 98 HA LYS 98 5.791 17.133 -3.210 811 1HB LYS 98 2HB LYS 98 8.033 16.521 -5.114 812 2HB LYS 98 3HB LYS 98 6.858 17.776 -5.486 813 1HG LYS 98 2HG LYS 98 8.491 17.706 -2.960 814 2HG LYS 98 3HG LYS 98 8.954 18.591 -4.415 815 1HD LYS 98 2HD LYS 98 7.492 20.244 -4.009 816 2HD LYS 98 3HD LYS 98 6.216 19.121 -3.532 817 1HE LYS 98 2HE LYS 98 8.347 19.182 -1.583 818 2HE LYS 98 3HE LYS 98 7.699 20.796 -1.868 819 1HZ LYS 98 1HZ LYS 98 6.627 19.011 -0.184 820 2HZ LYS 98 2HZ LYS 98 5.707 18.722 -1.573 821 3HZ LYS 98 3HZ LYS 98 5.761 20.274 -0.904 822 H ILE 99 H ILE 99 4.016 17.462 -4.481 823 HA ILE 99 HA ILE 99 3.357 15.339 -6.416 824 HB ILE 99 HB ILE 99 1.975 15.006 -4.470 825 1HG1 ILE 99 2HG1 ILE 99 0.429 16.347 -6.699 826 2HG1 ILE 99 3HG1 ILE 99 0.911 14.654 -6.644 827 1HG2 ILE 99 1HG2 ILE 99 0.596 16.681 -3.492 828 2HG2 ILE 99 2HG2 ILE 99 2.218 17.357 -3.633 829 3HG2 ILE 99 3HG2 ILE 99 0.965 17.825 -4.783 830 1HD1 ILE 99 1HD1 ILE 99 -0.461 14.766 -4.366 831 2HD1 ILE 99 2HD1 ILE 99 -1.282 16.052 -5.252 832 3HD1 ILE 99 3HD1 ILE 99 -1.213 14.423 -5.924 833 H LYS 100 H LYS 100 2.332 15.944 -8.299 834 HA LYS 100 HA LYS 100 2.001 18.839 -8.732 835 1HB LYS 100 2HB LYS 100 2.939 16.876 -10.825 836 2HB LYS 100 3HB LYS 100 2.885 18.630 -10.952 837 1HG LYS 100 2HG LYS 100 4.639 17.117 -9.029 838 2HG LYS 100 3HG LYS 100 5.159 17.716 -10.607 839 1HD LYS 100 2HD LYS 100 3.902 19.598 -8.656 840 2HD LYS 100 3HD LYS 100 5.592 19.130 -8.450 841 1HE LYS 100 2HE LYS 100 5.932 19.803 -10.865 842 2HE LYS 100 3HE LYS 100 4.321 20.516 -10.800 843 1HZ LYS 100 1HZ LYS 100 6.520 21.239 -8.944 844 2HZ LYS 100 2HZ LYS 100 5.024 22.011 -9.106 845 3HZ LYS 100 3HZ LYS 100 6.160 22.099 -10.356 846 H ASP 101 H ASP 101 0.209 19.500 -9.831 847 HA ASP 101 HA ASP 101 -1.803 17.435 -10.363 848 1HB ASP 101 2HB ASP 101 -2.538 19.149 -8.831 849 2HB ASP 101 3HB ASP 101 -2.054 20.420 -9.951 850 H ARG 102 H ARG 102 -1.279 16.724 -12.402 851 HA ARG 102 HA ARG 102 -0.668 18.494 -14.556 852 1HB ARG 102 2HB ARG 102 -1.232 15.560 -14.317 853 2HB ARG 102 3HB ARG 102 -1.195 16.314 -15.906 854 1HG ARG 102 2HG ARG 102 1.071 16.629 -13.970 855 2HG ARG 102 3HG ARG 102 0.948 15.231 -15.040 856 1HD ARG 102 2HD ARG 102 0.804 16.806 -16.966 857 2HD ARG 102 3HD ARG 102 1.112 18.131 -15.845 858 HE ARG 102 HE ARG 102 3.324 17.529 -15.786 859 1HH1 ARG 102 2HH1 ARG 102 1.467 14.969 -17.241 860 2HH1 ARG 102 1HH1 ARG 102 2.859 14.071 -17.749 861 1HH2 ARG 102 2HH2 ARG 102 5.165 16.357 -16.450 862 2HH2 ARG 102 1HH2 ARG 102 4.962 14.861 -17.298 863 HA PRO 103 HA PRO 103 -4.636 19.564 -16.090 864 1HB PRO 103 2HB PRO 103 -4.260 19.460 -18.776 865 2HB PRO 103 3HB PRO 103 -3.567 20.728 -17.757 866 1HG PRO 103 2HG PRO 103 -2.278 18.252 -18.839 867 2HG PRO 103 3HG PRO 103 -1.632 19.900 -18.747 868 1HD PRO 103 2HD PRO 103 -0.963 17.972 -16.967 869 2HD PRO 103 3HD PRO 103 -1.063 19.688 -16.523 870 H VAL 104 H VAL 104 -6.554 18.750 -16.971 871 HA VAL 104 HA VAL 104 -6.650 15.854 -17.167 872 HB VAL 104 HB VAL 104 -8.324 17.141 -15.825 873 1HG1 VAL 104 1HG1 VAL 104 -9.753 18.653 -16.712 874 2HG1 VAL 104 2HG1 VAL 104 -8.468 18.830 -17.908 875 3HG1 VAL 104 3HG1 VAL 104 -9.862 17.807 -18.255 876 1HG2 VAL 104 1HG2 VAL 104 -8.816 14.881 -16.490 877 2HG2 VAL 104 2HG2 VAL 104 -10.282 15.851 -16.637 878 3HG2 VAL 104 3HG2 VAL 104 -9.359 15.424 -18.078 879 H LYS 105 H LYS 105 -7.074 14.693 -18.967 880 HA LYS 105 HA LYS 105 -7.003 16.114 -21.509 881 1HB LYS 105 2HB LYS 105 -6.674 13.224 -20.728 882 2HB LYS 105 3HB LYS 105 -6.849 13.712 -22.408 883 1HG LYS 105 2HG LYS 105 -4.758 14.969 -20.682 884 2HG LYS 105 3HG LYS 105 -4.486 13.389 -21.421 885 1HD LYS 105 2HD LYS 105 -4.813 14.304 -23.622 886 2HD LYS 105 3HD LYS 105 -5.284 15.866 -22.947 887 1HE LYS 105 2HE LYS 105 -3.067 16.209 -22.073 888 2HE LYS 105 3HE LYS 105 -2.581 14.587 -22.561 889 1HZ LYS 105 1HZ LYS 105 -2.241 16.842 -24.025 890 2HZ LYS 105 2HZ LYS 105 -3.618 16.158 -24.728 891 3HZ LYS 105 3HZ LYS 105 -2.185 15.264 -24.632 892 H GLU 106 H GLU 106 -8.582 16.005 -23.074 893 HA GLU 106 HA GLU 106 -11.253 15.543 -22.140 894 1HB GLU 106 2HB GLU 106 -10.141 16.333 -24.832 895 2HB GLU 106 3HB GLU 106 -11.861 16.152 -24.517 896 1HG GLU 106 2HG GLU 106 -10.173 17.970 -22.847 897 2HG GLU 106 3HG GLU 106 -10.822 18.495 -24.399 898 H VAL 107 H VAL 107 -12.623 13.894 -22.597 899 HA VAL 107 HA VAL 107 -11.485 11.606 -24.061 900 HB VAL 107 HB VAL 107 -13.321 11.777 -21.707 901 1HG1 VAL 107 1HG1 VAL 107 -14.681 10.441 -23.059 902 2HG1 VAL 107 2HG1 VAL 107 -13.302 9.614 -23.787 903 3HG1 VAL 107 3HG1 VAL 107 -13.747 9.283 -22.113 904 1HG2 VAL 107 1HG2 VAL 107 -11.572 9.525 -21.752 905 2HG2 VAL 107 2HG2 VAL 107 -10.656 10.967 -22.191 906 3HG2 VAL 107 3HG2 VAL 107 -11.552 10.919 -20.673 907 H HIS 108 H HIS 108 -12.632 10.621 -25.671 908 HA HIS 108 HA HIS 108 -15.227 11.820 -26.383 909 1HB HIS 108 2HB HIS 108 -14.580 11.459 -28.780 910 2HB HIS 108 3HB HIS 108 -13.618 12.677 -27.947 911 HD1 HIS 108 HD1 HIS 108 -11.345 12.521 -28.907 912 HD2 HIS 108 HD2 HIS 108 -12.971 8.771 -28.164 913 HE1 HIS 108 HE1 HIS 108 -9.521 10.877 -29.452 914 H GLU 109 H GLU 109 -16.294 10.350 -28.169 915 HA GLU 109 HA GLU 109 -16.660 7.780 -26.924 916 1HB GLU 109 2HB GLU 109 -17.976 9.281 -29.149 917 2HB GLU 109 3HB GLU 109 -18.227 7.544 -29.034 918 1HG GLU 109 2HG GLU 109 -18.707 8.293 -26.481 919 2HG GLU 109 3HG GLU 109 -19.259 9.719 -27.358 920 H GLU 110 H GLU 110 -15.579 5.995 -27.402 921 HA GLU 110 HA GLU 110 -15.069 5.000 -29.938 922 1HB GLU 110 2HB GLU 110 -13.333 7.110 -29.393 923 2HB GLU 110 3HB GLU 110 -12.376 5.670 -29.076 924 1HG GLU 110 2HG GLU 110 -12.171 6.505 -31.388 925 2HG GLU 110 3HG GLU 110 -12.761 4.847 -31.289 926 H TYR 111 H TYR 111 -12.724 3.599 -29.629 927 HA TYR 111 HA TYR 111 -13.186 2.088 -27.141 928 1HB TYR 111 2HB TYR 111 -12.435 1.012 -29.866 929 2HB TYR 111 3HB TYR 111 -12.542 0.050 -28.397 930 HD1 TYR 111 HD1 TYR 111 -14.756 -0.292 -27.307 931 HD2 TYR 111 HD2 TYR 111 -14.383 1.598 -31.101 932 HE1 TYR 111 HE1 TYR 111 -17.148 -0.677 -27.727 933 HE2 TYR 111 HE2 TYR 111 -16.775 1.218 -31.531 934 HH TYR 111 HH TYR 111 -18.614 -0.911 -29.935 935 H ASP 112 H ASP 112 -11.541 2.934 -25.933 936 HA ASP 112 HA ASP 112 -8.849 2.141 -26.725 937 1HB ASP 112 2HB ASP 112 -9.784 4.890 -26.678 938 2HB ASP 112 3HB ASP 112 -8.443 4.645 -25.562 939 H LEU 113 H LEU 113 -10.523 4.008 -24.183 940 HA LEU 113 HA LEU 113 -8.868 3.258 -22.075 941 1HB LEU 113 2HB LEU 113 -11.722 4.155 -22.219 942 2HB LEU 113 3HB LEU 113 -10.994 3.709 -20.677 943 HG LEU 113 HG LEU 113 -9.348 5.481 -20.915 944 1HD1 LEU 113 1HD1 LEU 113 -9.065 5.511 -23.303 945 2HD1 LEU 113 2HD1 LEU 113 -9.564 7.114 -22.762 946 3HD1 LEU 113 3HD1 LEU 113 -10.732 6.040 -23.533 947 1HD2 LEU 113 1HD2 LEU 113 -11.281 6.165 -19.765 948 2HD2 LEU 113 2HD2 LEU 113 -12.235 6.250 -21.247 949 3HD2 LEU 113 3HD2 LEU 113 -10.969 7.441 -20.942 950 H TRP 114 H TRP 114 -10.084 2.087 -20.068 951 HA TRP 114 HA TRP 114 -10.020 -0.654 -20.681 952 1HB TRP 114 2HB TRP 114 -10.867 0.924 -18.272 953 2HB TRP 114 3HB TRP 114 -11.131 -0.816 -18.325 954 HD1 TRP 114 HD1 TRP 114 -8.796 1.376 -16.850 955 HE1 TRP 114 HE1 TRP 114 -6.444 0.355 -16.631 956 HE3 TRP 114 HE3 TRP 114 -9.285 -2.502 -20.146 957 HZ2 TRP 114 HZ2 TRP 114 -4.988 -1.808 -17.713 958 HZ3 TRP 114 HZ3 TRP 114 -7.366 -4.000 -20.496 959 HH2 TRP 114 HH2 TRP 114 -5.262 -3.659 -19.305 960 H GLU 115 H GLU 115 -12.721 1.574 -20.167 961 HA GLU 115 HA GLU 115 -14.971 1.347 -20.468 962 1HB GLU 115 2HB GLU 115 -13.789 -0.197 -22.756 963 2HB GLU 115 3HB GLU 115 -15.532 -0.075 -22.565 964 1HG GLU 115 2HG GLU 115 -15.317 2.390 -22.592 965 2HG GLU 115 3HG GLU 115 -13.595 2.199 -22.921 966 H ASP 116 H ASP 116 -14.899 0.113 -18.377 967 HA ASP 116 HA ASP 116 -16.627 -2.077 -18.474 968 1HB ASP 116 2HB ASP 116 -13.811 -2.754 -18.755 969 2HB ASP 116 3HB ASP 116 -14.534 -3.521 -17.343 970 HA PRO 117 HA PRO 117 -14.983 -1.628 -13.962 971 1HB PRO 117 2HB PRO 117 -12.810 -0.049 -13.564 972 2HB PRO 117 3HB PRO 117 -12.691 -1.778 -13.914 973 1HG PRO 117 2HG PRO 117 -12.369 0.556 -15.762 974 2HG PRO 117 3HG PRO 117 -11.397 -0.923 -15.647 975 1HD PRO 117 2HD PRO 117 -13.296 -0.572 -17.545 976 2HD PRO 117 3HD PRO 117 -12.913 -2.164 -16.860 977 H ILE 118 H ILE 118 -14.035 1.367 -15.666 978 HA ILE 118 HA ILE 118 -15.405 3.010 -13.738 979 HB ILE 118 HB ILE 118 -14.535 4.868 -14.847 980 1HG1 ILE 118 2HG1 ILE 118 -15.443 4.280 -17.083 981 2HG1 ILE 118 3HG1 ILE 118 -13.799 4.903 -17.160 982 1HG2 ILE 118 1HG2 ILE 118 -12.594 2.620 -15.366 983 2HG2 ILE 118 2HG2 ILE 118 -12.185 4.334 -15.303 984 3HG2 ILE 118 3HG2 ILE 118 -12.776 3.515 -13.857 985 1HD1 ILE 118 1HD1 ILE 118 -14.014 3.052 -18.659 986 2HD1 ILE 118 2HD1 ILE 118 -12.979 2.575 -17.312 987 3HD1 ILE 118 3HD1 ILE 118 -14.655 2.029 -17.374 988 H TRP 119 H TRP 119 -16.287 1.353 -16.559 989 HA TRP 119 HA TRP 119 -18.185 3.048 -17.710 990 1HB TRP 119 2HB TRP 119 -17.281 0.774 -18.540 991 2HB TRP 119 3HB TRP 119 -18.558 0.066 -17.555 992 HD1 TRP 119 HD1 TRP 119 -18.799 3.184 -19.847 993 HE1 TRP 119 HE1 TRP 119 -20.677 2.767 -21.557 994 HE3 TRP 119 HE3 TRP 119 -20.015 -1.612 -18.562 995 HZ2 TRP 119 HZ2 TRP 119 -22.441 0.680 -22.266 996 HZ3 TRP 119 HZ3 TRP 119 -21.809 -2.748 -19.805 997 HH2 TRP 119 HH2 TRP 119 -22.996 -1.623 -21.618 998 H GLN 120 H GLN 120 -18.486 0.730 -15.053 999 HA GLN 120 HA GLN 120 -21.083 1.954 -14.398 1000 1HB GLN 120 2HB GLN 120 -21.251 -0.387 -15.336 1001 2HB GLN 120 3HB GLN 120 -20.383 -0.941 -13.910 1002 1HG GLN 120 2HG GLN 120 -22.158 -0.133 -12.478 1003 2HG GLN 120 3HG GLN 120 -23.014 0.519 -13.874 1004 1HE2 GLN 120 1HE2 GLN 120 -22.950 -1.404 -15.695 1005 2HE2 GLN 120 2HE2 GLN 120 -23.712 -2.846 -15.124 1006 H TYR 121 H TYR 121 -18.775 -0.310 -12.889 1007 HA TYR 121 HA TYR 121 -19.235 0.724 -10.279 1008 1HB TYR 121 2HB TYR 121 -17.260 -1.203 -11.459 1009 2HB TYR 121 3HB TYR 121 -17.076 -0.649 -9.799 1010 HD1 TYR 121 HD1 TYR 121 -18.477 -1.479 -8.062 1011 HD2 TYR 121 HD2 TYR 121 -19.289 -2.486 -12.115 1012 HE1 TYR 121 HE1 TYR 121 -20.082 -3.184 -7.310 1013 HE2 TYR 121 HE2 TYR 121 -20.897 -4.193 -11.375 1014 HH TYR 121 HH TYR 121 -21.084 -5.616 -8.952 1015 H ILE 122 H ILE 122 -17.060 1.209 -8.961 1016 HA ILE 122 HA ILE 122 -16.295 3.799 -9.606 1017 HB ILE 122 HB ILE 122 -14.364 3.404 -8.012 1018 1HG1 ILE 122 2HG1 ILE 122 -15.714 0.740 -7.561 1019 2HG1 ILE 122 3HG1 ILE 122 -14.265 0.924 -8.543 1020 1HG2 ILE 122 1HG2 ILE 122 -15.821 4.116 -6.499 1021 2HG2 ILE 122 2HG2 ILE 122 -17.135 3.621 -7.565 1022 3HG2 ILE 122 3HG2 ILE 122 -16.510 2.498 -6.358 1023 1HD1 ILE 122 1HD1 ILE 122 -12.974 0.918 -6.748 1024 2HD1 ILE 122 2HD1 ILE 122 -13.932 2.185 -5.980 1025 3HD1 ILE 122 3HD1 ILE 122 -14.402 0.495 -5.804 Start of MODEL 17 1 H MET 1 H MET 1 5.864 -8.179 -3.634 2 HA MET 1 HA MET 1 4.556 -8.418 -5.747 3 1HB MET 1 2HB MET 1 3.379 -10.468 -5.148 4 2HB MET 1 3HB MET 1 4.956 -10.414 -4.371 5 1HG MET 1 2HG MET 1 2.617 -9.394 -2.857 6 2HG MET 1 3HG MET 1 2.779 -11.135 -3.072 7 1HE MET 1 1HE MET 1 4.312 -11.588 0.269 8 2HE MET 1 2HE MET 1 2.767 -11.424 -0.565 9 3HE MET 1 3HE MET 1 3.997 -12.523 -1.194 10 H GLN 2 H GLN 2 3.556 -6.022 -4.891 11 HA GLN 2 HA GLN 2 0.655 -6.476 -5.071 12 1HB GLN 2 2HB GLN 2 0.371 -4.384 -3.702 13 2HB GLN 2 3HB GLN 2 1.019 -5.764 -2.826 14 1HG GLN 2 2HG GLN 2 3.296 -4.819 -3.148 15 2HG GLN 2 3HG GLN 2 2.547 -3.387 -3.852 16 1HE2 GLN 2 1HE2 GLN 2 2.973 -1.872 -2.372 17 2HE2 GLN 2 2HE2 GLN 2 2.495 -1.947 -0.713 18 H LYS 3 H LYS 3 1.564 -6.263 -7.400 19 HA LYS 3 HA LYS 3 0.607 -3.878 -8.493 20 1HB LYS 3 2HB LYS 3 3.059 -3.399 -7.422 21 2HB LYS 3 3HB LYS 3 3.505 -3.870 -9.056 22 1HG LYS 3 2HG LYS 3 3.248 -1.648 -9.395 23 2HG LYS 3 3HG LYS 3 1.577 -2.149 -9.665 24 1HD LYS 3 2HD LYS 3 2.293 -1.575 -6.866 25 2HD LYS 3 3HD LYS 3 2.316 -0.187 -7.956 26 1HE LYS 3 2HE LYS 3 0.003 -1.094 -8.724 27 2HE LYS 3 3HE LYS 3 0.034 -1.965 -7.192 28 1HZ LYS 3 1HZ LYS 3 -0.939 0.478 -7.434 29 2HZ LYS 3 2HZ LYS 3 0.668 0.875 -7.091 30 3HZ LYS 3 3HZ LYS 3 -0.217 -0.075 -6.008 31 H GLY 4 H GLY 4 1.459 -3.652 -10.894 32 1HA GLY 4 2HA GLY 4 2.172 -4.750 -12.871 33 2HA GLY 4 3HA GLY 4 2.095 -6.284 -12.016 34 H LEU 5 H LEU 5 -0.593 -4.252 -11.519 35 HA LEU 5 HA LEU 5 -2.127 -5.701 -13.573 36 1HB LEU 5 2HB LEU 5 -2.678 -5.315 -10.671 37 2HB LEU 5 3HB LEU 5 -4.036 -5.376 -11.792 38 HG LEU 5 HG LEU 5 -3.689 -7.548 -10.801 39 1HD1 LEU 5 1HD1 LEU 5 -3.667 -7.014 -13.583 40 2HD1 LEU 5 2HD1 LEU 5 -4.321 -8.416 -12.737 41 3HD1 LEU 5 3HD1 LEU 5 -2.647 -8.424 -13.293 42 1HD2 LEU 5 1HD2 LEU 5 -0.973 -7.699 -12.061 43 2HD2 LEU 5 2HD2 LEU 5 -1.680 -8.729 -10.817 44 3HD2 LEU 5 3HD2 LEU 5 -1.190 -7.081 -10.424 45 H GLU 6 H GLU 6 -4.120 -4.624 -14.245 46 HA GLU 6 HA GLU 6 -3.784 -1.706 -14.212 47 1HB GLU 6 2HB GLU 6 -5.563 -3.230 -16.100 48 2HB GLU 6 3HB GLU 6 -4.881 -1.621 -16.296 49 1HG GLU 6 2HG GLU 6 -3.293 -2.546 -17.526 50 2HG GLU 6 3HG GLU 6 -2.672 -3.279 -16.049 51 H ILE 7 H ILE 7 -5.342 -0.372 -13.463 52 HA ILE 7 HA ILE 7 -7.971 -1.470 -12.803 53 HB ILE 7 HB ILE 7 -7.778 -0.120 -10.589 54 1HG1 ILE 7 2HG1 ILE 7 -5.379 0.605 -11.434 55 2HG1 ILE 7 3HG1 ILE 7 -5.690 0.329 -9.724 56 1HG2 ILE 7 1HG2 ILE 7 -6.834 -2.150 -9.452 57 2HG2 ILE 7 2HG2 ILE 7 -8.163 -2.465 -10.566 58 3HG2 ILE 7 3HG2 ILE 7 -6.504 -2.807 -11.055 59 1HD1 ILE 7 1HD1 ILE 7 -3.588 -0.688 -10.884 60 2HD1 ILE 7 2HD1 ILE 7 -4.485 -1.615 -9.681 61 3HD1 ILE 7 3HD1 ILE 7 -4.726 -1.932 -11.399 62 H ALA 8 H ALA 8 -9.631 0.036 -12.765 63 HA ALA 8 HA ALA 8 -8.895 2.773 -13.574 64 1HB ALA 8 1HB ALA 8 -10.050 1.053 -15.256 65 2HB ALA 8 2HB ALA 8 -11.497 1.690 -14.474 66 3HB ALA 8 3HB ALA 8 -10.379 2.786 -15.286 67 H PHE 9 H PHE 9 -10.139 4.463 -12.772 68 HA PHE 9 HA PHE 9 -12.255 3.808 -10.859 69 1HB PHE 9 2HB PHE 9 -10.301 3.989 -9.461 70 2HB PHE 9 3HB PHE 9 -9.821 5.491 -10.245 71 HD1 PHE 9 HD1 PHE 9 -12.918 4.174 -8.622 72 HD2 PHE 9 HD2 PHE 9 -10.096 7.345 -8.939 73 HE1 PHE 9 HE1 PHE 9 -14.166 5.449 -6.928 74 HE2 PHE 9 HE2 PHE 9 -11.339 8.625 -7.245 75 HZ PHE 9 HZ PHE 9 -13.377 7.677 -6.237 76 H GLN 10 H GLN 10 -13.896 5.263 -10.792 77 HA GLN 10 HA GLN 10 -13.634 7.616 -12.543 78 1HB GLN 10 2HB GLN 10 -16.070 7.472 -12.860 79 2HB GLN 10 3HB GLN 10 -15.255 6.001 -13.374 80 1HG GLN 10 2HG GLN 10 -16.094 4.761 -11.627 81 2HG GLN 10 3HG GLN 10 -16.371 6.179 -10.616 82 1HE2 GLN 10 1HE2 GLN 10 -18.089 7.656 -11.331 83 2HE2 GLN 10 2HE2 GLN 10 -19.494 6.981 -12.076 84 H THR 11 H THR 11 -14.926 9.509 -11.942 85 HA THR 11 HA THR 11 -15.802 9.732 -9.196 86 HB THR 11 HB THR 11 -13.551 10.177 -8.692 87 HG1 THR 11 HG1 THR 11 -13.567 12.516 -8.357 88 1HG2 THR 11 1HG2 THR 11 -13.471 11.176 -11.424 89 2HG2 THR 11 2HG2 THR 11 -12.171 10.536 -10.418 90 3HG2 THR 11 3HG2 THR 11 -12.627 12.235 -10.295 91 H ILE 12 H ILE 12 -16.933 11.699 -8.762 92 HA ILE 12 HA ILE 12 -17.292 13.678 -10.799 93 HB ILE 12 HB ILE 12 -19.886 13.145 -10.762 94 1HG1 ILE 12 2HG1 ILE 12 -20.312 10.734 -10.886 95 2HG1 ILE 12 3HG1 ILE 12 -18.619 10.405 -10.535 96 1HG2 ILE 12 1HG2 ILE 12 -19.581 12.813 -12.948 97 2HG2 ILE 12 2HG2 ILE 12 -17.858 12.960 -12.605 98 3HG2 ILE 12 3HG2 ILE 12 -18.609 11.366 -12.681 99 1HD1 ILE 12 1HD1 ILE 12 -20.335 10.209 -8.641 100 2HD1 ILE 12 2HD1 ILE 12 -18.826 11.065 -8.322 101 3HD1 ILE 12 3HD1 ILE 12 -20.306 11.972 -8.629 102 H ASN 13 H ASN 13 -19.283 15.110 -10.168 103 HA ASN 13 HA ASN 13 -20.197 16.545 -8.659 104 1HB ASN 13 2HB ASN 13 -21.122 14.263 -7.855 105 2HB ASN 13 3HB ASN 13 -19.951 14.416 -6.548 106 1HD2 ASN 13 1HD2 ASN 13 -22.279 14.263 -5.574 107 2HD2 ASN 13 2HD2 ASN 13 -22.976 15.787 -5.153 108 H GLY 14 H GLY 14 -17.184 16.004 -8.825 109 1HA GLY 14 2HA GLY 14 -15.263 16.757 -7.812 110 2HA GLY 14 3HA GLY 14 -16.287 18.048 -7.201 111 H LEU 15 H LEU 15 -16.881 14.723 -6.353 112 HA LEU 15 HA LEU 15 -16.250 15.373 -3.570 113 1HB LEU 15 2HB LEU 15 -18.473 14.335 -4.449 114 2HB LEU 15 3HB LEU 15 -17.554 12.831 -4.452 115 HG LEU 15 HG LEU 15 -18.913 13.082 -2.430 116 1HD1 LEU 15 1HD1 LEU 15 -16.360 12.204 -2.593 117 2HD1 LEU 15 2HD1 LEU 15 -17.365 12.080 -1.149 118 3HD1 LEU 15 3HD1 LEU 15 -16.216 13.408 -1.312 119 1HD2 LEU 15 1HD2 LEU 15 -18.310 15.719 -2.548 120 2HD2 LEU 15 2HD2 LEU 15 -17.200 15.179 -1.289 121 3HD2 LEU 15 3HD2 LEU 15 -18.934 14.904 -1.114 122 H ASP 16 H ASP 16 -15.641 12.848 -5.992 123 HA ASP 16 HA ASP 16 -13.648 11.596 -4.295 124 1HB ASP 16 2HB ASP 16 -15.061 10.908 -6.797 125 2HB ASP 16 3HB ASP 16 -13.407 10.316 -6.677 126 H GLU 17 H GLU 17 -13.710 14.180 -6.386 127 HA GLU 17 HA GLU 17 -11.454 13.994 -7.955 128 1HB GLU 17 2HB GLU 17 -11.309 16.475 -7.757 129 2HB GLU 17 3HB GLU 17 -12.919 15.888 -8.149 130 1HG GLU 17 2HG GLU 17 -13.510 16.096 -5.742 131 2HG GLU 17 3HG GLU 17 -11.939 16.849 -5.473 132 H SER 18 H SER 18 -11.671 14.974 -4.555 133 HA SER 18 HA SER 18 -8.985 15.649 -4.174 134 1HB SER 18 2HB SER 18 -11.214 14.805 -2.370 135 2HB SER 18 3HB SER 18 -9.577 14.859 -1.717 136 HG SER 18 HG SER 18 -9.607 17.075 -2.779 137 H LEU 19 H LEU 19 -10.651 12.543 -3.809 138 HA LEU 19 HA LEU 19 -8.463 11.085 -2.815 139 1HB LEU 19 2HB LEU 19 -10.764 10.286 -2.698 140 2HB LEU 19 3HB LEU 19 -10.812 10.143 -4.454 141 HG LEU 19 HG LEU 19 -10.476 8.024 -2.995 142 1HD1 LEU 19 1HD1 LEU 19 -9.506 8.819 -5.592 143 2HD1 LEU 19 2HD1 LEU 19 -10.211 7.289 -5.073 144 3HD1 LEU 19 3HD1 LEU 19 -8.481 7.571 -4.881 145 1HD2 LEU 19 1HD2 LEU 19 -8.443 9.336 -1.904 146 2HD2 LEU 19 2HD2 LEU 19 -7.578 8.605 -3.257 147 3HD2 LEU 19 3HD2 LEU 19 -8.431 7.583 -2.099 148 H VAL 20 H VAL 20 -9.530 11.792 -6.099 149 HA VAL 20 HA VAL 20 -7.763 10.051 -7.441 150 HB VAL 20 HB VAL 20 -8.989 12.641 -8.398 151 1HG1 VAL 20 1HG1 VAL 20 -8.538 11.793 -10.657 152 2HG1 VAL 20 2HG1 VAL 20 -7.050 12.049 -9.742 153 3HG1 VAL 20 3HG1 VAL 20 -7.682 10.417 -9.962 154 1HG2 VAL 20 1HG2 VAL 20 -10.150 10.140 -7.815 155 2HG2 VAL 20 2HG2 VAL 20 -10.897 11.524 -8.612 156 3HG2 VAL 20 3HG2 VAL 20 -10.095 10.281 -9.572 157 H GLN 21 H GLN 21 -7.528 13.565 -6.872 158 HA GLN 21 HA GLN 21 -4.915 13.819 -7.905 159 1HB GLN 21 2HB GLN 21 -4.903 16.013 -6.759 160 2HB GLN 21 3HB GLN 21 -6.363 15.749 -7.704 161 1HG GLN 21 2HG GLN 21 -7.426 14.976 -5.517 162 2HG GLN 21 3HG GLN 21 -6.029 15.707 -4.728 163 1HE2 GLN 21 1HE2 GLN 21 -6.475 17.632 -3.964 164 2HE2 GLN 21 2HE2 GLN 21 -7.497 18.816 -4.699 165 H ALA 22 H ALA 22 -6.152 13.081 -4.707 166 HA ALA 22 HA ALA 22 -3.697 13.410 -3.317 167 1HB ALA 22 1HB ALA 22 -5.660 13.490 -2.017 168 2HB ALA 22 2HB ALA 22 -6.240 11.951 -2.656 169 3HB ALA 22 3HB ALA 22 -4.854 11.987 -1.566 170 H LEU 23 H LEU 23 -5.410 10.505 -4.472 171 HA LEU 23 HA LEU 23 -3.439 8.657 -3.712 172 1HB LEU 23 2HB LEU 23 -4.691 7.080 -4.790 173 2HB LEU 23 3HB LEU 23 -5.896 8.343 -4.545 174 HG LEU 23 HG LEU 23 -5.120 9.062 -6.969 175 1HD1 LEU 23 1HD1 LEU 23 -3.807 6.541 -6.578 176 2HD1 LEU 23 2HD1 LEU 23 -3.722 7.647 -7.948 177 3HD1 LEU 23 3HD1 LEU 23 -4.985 6.418 -7.885 178 1HD2 LEU 23 1HD2 LEU 23 -7.389 8.453 -6.322 179 2HD2 LEU 23 2HD2 LEU 23 -6.965 6.742 -6.404 180 3HD2 LEU 23 3HD2 LEU 23 -6.959 7.724 -7.870 181 H ALA 24 H ALA 24 -3.802 10.648 -6.570 182 HA ALA 24 HA ALA 24 -1.905 9.348 -8.204 183 1HB ALA 24 1HB ALA 24 -1.784 11.749 -9.242 184 2HB ALA 24 2HB ALA 24 -3.245 10.775 -9.404 185 3HB ALA 24 3HB ALA 24 -3.166 12.049 -8.188 186 H GLY 25 H GLY 25 -1.616 12.118 -5.991 187 1HA GLY 25 2HA GLY 25 1.168 12.505 -6.483 188 2HA GLY 25 3HA GLY 25 0.240 13.201 -5.162 189 H VAL 26 H VAL 26 -0.664 10.661 -4.112 190 HA VAL 26 HA VAL 26 1.474 10.118 -2.350 191 HB VAL 26 HB VAL 26 -1.046 8.538 -2.877 192 1HG1 VAL 26 1HG1 VAL 26 -0.443 7.811 -0.412 193 2HG1 VAL 26 2HG1 VAL 26 0.206 6.951 -1.810 194 3HG1 VAL 26 3HG1 VAL 26 1.198 8.142 -0.967 195 1HG2 VAL 26 1HG2 VAL 26 -2.117 9.980 -1.558 196 2HG2 VAL 26 2HG2 VAL 26 -0.837 9.934 -0.346 197 3HG2 VAL 26 3HG2 VAL 26 -0.713 11.035 -1.718 198 H THR 27 H THR 27 0.052 8.163 -4.967 199 HA THR 27 HA THR 27 1.912 6.043 -4.754 200 HB THR 27 HB THR 27 -0.249 5.740 -5.860 201 HG1 THR 27 HG1 THR 27 1.707 4.500 -6.484 202 1HG2 THR 27 1HG2 THR 27 0.013 8.105 -6.991 203 2HG2 THR 27 2HG2 THR 27 -0.927 6.831 -7.768 204 3HG2 THR 27 3HG2 THR 27 0.723 7.158 -8.297 205 H ALA 28 H ALA 28 1.824 8.977 -6.712 206 HA ALA 28 HA ALA 28 4.101 8.322 -8.295 207 1HB ALA 28 1HB ALA 28 2.426 9.916 -9.065 208 2HB ALA 28 2HB ALA 28 2.847 11.009 -7.745 209 3HB ALA 28 3HB ALA 28 4.025 10.658 -9.010 210 H SER 29 H SER 29 3.621 9.885 -5.209 211 HA SER 29 HA SER 29 6.273 10.973 -5.051 212 1HB SER 29 2HB SER 29 4.397 12.002 -3.834 213 2HB SER 29 3HB SER 29 4.214 10.535 -2.872 214 HG SER 29 HG SER 29 6.699 11.839 -2.960 215 H ASP 30 H ASP 30 4.599 8.202 -3.589 216 HA ASP 30 HA ASP 30 7.014 7.256 -2.323 217 1HB ASP 30 2HB ASP 30 4.585 6.981 -1.476 218 2HB ASP 30 3HB ASP 30 4.488 5.652 -2.628 219 H PHE 31 H PHE 31 5.589 6.975 -5.384 220 HA PHE 31 HA PHE 31 5.710 5.218 -6.967 221 1HB PHE 31 2HB PHE 31 8.278 5.340 -7.674 222 2HB PHE 31 3HB PHE 31 7.167 6.673 -7.968 223 HD1 PHE 31 HD1 PHE 31 8.084 8.728 -7.574 224 HD2 PHE 31 HD2 PHE 31 9.196 5.470 -5.071 225 HE1 PHE 31 HE1 PHE 31 9.539 10.227 -6.275 226 HE2 PHE 31 HE2 PHE 31 10.653 6.964 -3.768 227 HZ PHE 31 HZ PHE 31 10.825 9.346 -4.369 228 HA PRO 32 HA PRO 32 7.398 1.943 -4.095 229 1HB PRO 32 2HB PRO 32 5.163 0.402 -4.127 230 2HB PRO 32 3HB PRO 32 5.402 1.724 -2.978 231 1HG PRO 32 2HG PRO 32 3.830 1.687 -5.526 232 2HG PRO 32 3HG PRO 32 3.400 2.392 -3.957 233 1HD PRO 32 2HD PRO 32 4.338 3.881 -6.014 234 2HD PRO 32 3HD PRO 32 4.668 4.283 -4.317 235 H ASP 33 H ASP 33 5.659 1.881 -7.145 236 HA ASP 33 HA ASP 33 6.826 -0.711 -7.833 237 1HB ASP 33 2HB ASP 33 5.331 -0.702 -9.741 238 2HB ASP 33 3HB ASP 33 4.417 -0.308 -8.287 239 H LEU 34 H LEU 34 7.388 2.610 -8.259 240 HA LEU 34 HA LEU 34 8.824 3.825 -9.541 241 1HB LEU 34 2HB LEU 34 10.240 1.168 -9.686 242 2HB LEU 34 3HB LEU 34 10.947 2.722 -10.124 243 HG LEU 34 HG LEU 34 9.899 2.269 -7.356 244 1HD1 LEU 34 1HD1 LEU 34 11.350 0.382 -7.732 245 2HD1 LEU 34 2HD1 LEU 34 12.168 1.552 -6.698 246 3HD1 LEU 34 3HD1 LEU 34 12.599 1.431 -8.403 247 1HD2 LEU 34 1HD2 LEU 34 12.277 3.872 -8.236 248 2HD2 LEU 34 2HD2 LEU 34 11.307 4.037 -6.772 249 3HD2 LEU 34 3HD2 LEU 34 10.640 4.523 -8.331 250 H ASP 35 H ASP 35 6.604 2.317 -10.857 251 HA ASP 35 HA ASP 35 7.333 2.935 -13.557 252 1HB ASP 35 2HB ASP 35 7.203 0.096 -12.643 253 2HB ASP 35 3HB ASP 35 6.567 0.490 -14.238 254 H ILE 36 H ILE 36 5.332 3.702 -11.604 255 HA ILE 36 HA ILE 36 2.826 2.535 -12.309 256 HB ILE 36 HB ILE 36 2.949 3.550 -10.168 257 1HG1 ILE 36 2HG1 ILE 36 0.936 4.084 -11.891 258 2HG1 ILE 36 3HG1 ILE 36 0.924 4.580 -10.202 259 1HG2 ILE 36 1HG2 ILE 36 3.342 6.051 -9.979 260 2HG2 ILE 36 2HG2 ILE 36 4.746 5.056 -10.362 261 3HG2 ILE 36 3HG2 ILE 36 3.943 5.976 -11.635 262 1HD1 ILE 36 1HD1 ILE 36 1.589 6.784 -10.761 263 2HD1 ILE 36 2HD1 ILE 36 1.934 6.323 -12.429 264 3HD1 ILE 36 3HD1 ILE 36 0.270 6.343 -11.846 265 H LYS 37 H LYS 37 1.559 2.952 -13.993 266 HA LYS 37 HA LYS 37 2.022 5.432 -15.517 267 1HB LYS 37 2HB LYS 37 1.941 2.625 -16.395 268 2HB LYS 37 3HB LYS 37 0.965 3.718 -17.368 269 1HG LYS 37 2HG LYS 37 2.965 3.815 -18.471 270 2HG LYS 37 3HG LYS 37 3.130 5.181 -17.366 271 1HD LYS 37 2HD LYS 37 4.025 2.643 -16.228 272 2HD LYS 37 3HD LYS 37 4.935 3.133 -17.659 273 1HE LYS 37 2HE LYS 37 4.553 5.415 -15.999 274 2HE LYS 37 3HE LYS 37 5.163 4.096 -15.001 275 1HZ LYS 37 1HZ LYS 37 6.449 5.496 -17.220 276 2HZ LYS 37 2HZ LYS 37 6.794 3.851 -17.037 277 3HZ LYS 37 3HZ LYS 37 7.113 4.927 -15.771 278 H TYR 38 H TYR 38 0.345 6.580 -14.598 279 HA TYR 38 HA TYR 38 -2.356 5.530 -15.134 280 1HB TYR 38 2HB TYR 38 -3.147 6.310 -13.117 281 2HB TYR 38 3HB TYR 38 -1.499 5.891 -12.662 282 HD1 TYR 38 HD1 TYR 38 0.202 7.978 -13.267 283 HD2 TYR 38 HD2 TYR 38 -3.907 8.276 -12.203 284 HE1 TYR 38 HE1 TYR 38 0.576 10.281 -12.490 285 HE2 TYR 38 HE2 TYR 38 -3.545 10.580 -11.425 286 HH TYR 38 HH TYR 38 -0.359 11.945 -11.143 287 H ASN 39 H ASN 39 -3.997 7.440 -15.127 288 HA ASN 39 HA ASN 39 -3.073 9.979 -16.034 289 1HB ASN 39 2HB ASN 39 -3.786 7.894 -18.031 290 2HB ASN 39 3HB ASN 39 -4.388 9.522 -18.325 291 1HD2 ASN 39 1HD2 ASN 39 -2.308 7.806 -19.637 292 2HD2 ASN 39 2HD2 ASN 39 -0.905 8.810 -19.714 293 H ILE 40 H ILE 40 -4.683 11.502 -16.006 294 HA ILE 40 HA ILE 40 -7.376 10.519 -15.320 295 HB ILE 40 HB ILE 40 -6.990 13.237 -14.494 296 1HG1 ILE 40 2HG1 ILE 40 -4.937 11.250 -13.503 297 2HG1 ILE 40 3HG1 ILE 40 -4.624 12.764 -14.346 298 1HG2 ILE 40 1HG2 ILE 40 -8.640 11.532 -13.677 299 2HG2 ILE 40 2HG2 ILE 40 -7.316 10.776 -12.792 300 3HG2 ILE 40 3HG2 ILE 40 -7.802 12.428 -12.409 301 1HD1 ILE 40 1HD1 ILE 40 -4.161 12.985 -11.986 302 2HD1 ILE 40 2HD1 ILE 40 -5.535 13.995 -12.435 303 3HD1 ILE 40 3HD1 ILE 40 -5.800 12.469 -11.592 304 H PHE 41 H PHE 41 -8.862 10.928 -16.803 305 HA PHE 41 HA PHE 41 -8.639 13.396 -18.389 306 1HB PHE 41 2HB PHE 41 -9.803 11.907 -20.221 307 2HB PHE 41 3HB PHE 41 -8.053 11.876 -20.026 308 HD1 PHE 41 HD1 PHE 41 -6.933 9.891 -19.494 309 HD2 PHE 41 HD2 PHE 41 -11.172 10.084 -19.157 310 HE1 PHE 41 HE1 PHE 41 -7.014 7.455 -19.153 311 HE2 PHE 41 HE2 PHE 41 -11.259 7.649 -18.815 312 HZ PHE 41 HZ PHE 41 -9.178 6.331 -18.812 313 H LEU 42 H LEU 42 -10.589 14.369 -19.006 314 HA LEU 42 HA LEU 42 -12.910 13.482 -17.435 315 1HB LEU 42 2HB LEU 42 -12.467 15.625 -16.731 316 2HB LEU 42 3HB LEU 42 -11.910 16.144 -18.321 317 HG LEU 42 HG LEU 42 -14.251 16.172 -19.100 318 1HD1 LEU 42 1HD1 LEU 42 -15.772 16.263 -16.827 319 2HD1 LEU 42 2HD1 LEU 42 -14.673 14.925 -16.496 320 3HD1 LEU 42 3HD1 LEU 42 -15.678 14.901 -17.944 321 1HD2 LEU 42 1HD2 LEU 42 -13.534 18.280 -18.487 322 2HD2 LEU 42 2HD2 LEU 42 -13.359 17.843 -16.787 323 3HD2 LEU 42 3HD2 LEU 42 -14.965 18.074 -17.478 324 H VAL 43 H VAL 43 -14.765 12.920 -18.409 325 HA VAL 43 HA VAL 43 -14.891 13.188 -21.340 326 HB VAL 43 HB VAL 43 -15.874 11.146 -21.522 327 1HG1 VAL 43 1HG1 VAL 43 -14.613 9.625 -20.372 328 2HG1 VAL 43 2HG1 VAL 43 -13.695 11.093 -20.031 329 3HG1 VAL 43 3HG1 VAL 43 -14.818 10.454 -18.830 330 1HG2 VAL 43 1HG2 VAL 43 -17.208 10.099 -19.644 331 2HG2 VAL 43 2HG2 VAL 43 -17.061 11.640 -18.801 332 3HG2 VAL 43 3HG2 VAL 43 -17.890 11.561 -20.355 333 H ASP 44 H ASP 44 -16.628 14.121 -22.292 334 HA ASP 44 HA ASP 44 -18.902 14.887 -20.598 335 1HB ASP 44 2HB ASP 44 -18.843 17.081 -22.050 336 2HB ASP 44 3HB ASP 44 -17.843 16.940 -20.606 337 H LEU 45 H LEU 45 -20.484 13.696 -21.475 338 HA LEU 45 HA LEU 45 -21.228 14.224 -24.229 339 1HB LEU 45 2HB LEU 45 -19.804 11.892 -23.550 340 2HB LEU 45 3HB LEU 45 -21.476 11.400 -23.813 341 HG LEU 45 HG LEU 45 -20.207 11.135 -25.849 342 1HD1 LEU 45 1HD1 LEU 45 -21.614 12.341 -27.352 343 2HD1 LEU 45 2HD1 LEU 45 -21.978 13.555 -26.126 344 3HD1 LEU 45 3HD1 LEU 45 -22.578 11.908 -25.940 345 1HD2 LEU 45 1HD2 LEU 45 -18.522 12.920 -25.236 346 2HD2 LEU 45 2HD2 LEU 45 -19.689 14.099 -25.836 347 3HD2 LEU 45 3HD2 LEU 45 -19.030 12.877 -26.925 348 H TYR 46 H TYR 46 -23.399 13.529 -24.732 349 HA TYR 46 HA TYR 46 -25.615 13.277 -24.287 350 1HB TYR 46 2HB TYR 46 -24.706 11.906 -21.749 351 2HB TYR 46 3HB TYR 46 -26.291 11.775 -22.503 352 HD1 TYR 46 HD1 TYR 46 -23.004 10.406 -22.308 353 HD2 TYR 46 HD2 TYR 46 -26.394 10.752 -24.857 354 HE1 TYR 46 HE1 TYR 46 -22.219 8.470 -23.607 355 HE2 TYR 46 HE2 TYR 46 -25.618 8.817 -26.162 356 HH TYR 46 HH TYR 46 -24.172 7.067 -26.178 357 H GLY 47 H GLY 47 -23.928 15.525 -23.148 358 1HA GLY 47 2HA GLY 47 -24.606 17.529 -22.174 359 2HA GLY 47 3HA GLY 47 -26.077 16.736 -21.629 360 H GLN 48 H GLN 48 -23.946 14.608 -20.630 361 HA GLN 48 HA GLN 48 -23.500 15.979 -18.062 362 1HB GLN 48 2HB GLN 48 -23.752 13.004 -18.518 363 2HB GLN 48 3HB GLN 48 -23.671 13.833 -16.970 364 1HG GLN 48 2HG GLN 48 -25.910 13.919 -18.974 365 2HG GLN 48 3HG GLN 48 -25.931 13.199 -17.365 366 1HE2 GLN 48 1HE2 GLN 48 -27.323 15.527 -18.875 367 2HE2 GLN 48 2HE2 GLN 48 -27.320 16.795 -17.702 368 H LYS 49 H LYS 49 -21.501 15.984 -17.164 369 HA LYS 49 HA LYS 49 -19.355 14.682 -18.708 370 1HB LYS 49 2HB LYS 49 -17.892 16.508 -17.707 371 2HB LYS 49 3HB LYS 49 -19.046 17.013 -18.934 372 1HG LYS 49 2HG LYS 49 -20.214 17.173 -16.307 373 2HG LYS 49 3HG LYS 49 -18.706 18.087 -16.389 374 1HD LYS 49 2HD LYS 49 -20.511 18.424 -18.690 375 2HD LYS 49 3HD LYS 49 -21.118 19.051 -17.156 376 1HE LYS 49 2HE LYS 49 -18.835 20.183 -16.929 377 2HE LYS 49 3HE LYS 49 -18.618 19.812 -18.638 378 1HZ LYS 49 1HZ LYS 49 -20.530 21.651 -17.369 379 2HZ LYS 49 2HZ LYS 49 -20.912 20.956 -18.862 380 3HZ LYS 49 3HZ LYS 49 -19.523 21.908 -18.704 381 H TYR 50 H TYR 50 -18.051 13.292 -17.683 382 HA TYR 50 HA TYR 50 -18.094 13.245 -14.741 383 1HB TYR 50 2HB TYR 50 -17.985 10.744 -16.419 384 2HB TYR 50 3HB TYR 50 -18.281 10.880 -14.689 385 HD1 TYR 50 HD1 TYR 50 -20.472 11.178 -13.847 386 HD2 TYR 50 HD2 TYR 50 -19.752 11.520 -18.026 387 HE1 TYR 50 HE1 TYR 50 -22.897 11.189 -14.257 388 HE2 TYR 50 HE2 TYR 50 -22.175 11.533 -18.448 389 HH TYR 50 HH TYR 50 -24.478 11.880 -15.929 390 H PHE 51 H PHE 51 -16.219 12.258 -13.754 391 HA PHE 51 HA PHE 51 -13.817 12.638 -15.400 392 1HB PHE 51 2HB PHE 51 -14.247 12.728 -12.412 393 2HB PHE 51 3HB PHE 51 -12.651 12.756 -13.154 394 HD1 PHE 51 HD1 PHE 51 -11.686 14.789 -13.621 395 HD2 PHE 51 HD2 PHE 51 -15.923 14.533 -13.317 396 HE1 PHE 51 HE1 PHE 51 -11.848 17.231 -13.879 397 HE2 PHE 51 HE2 PHE 51 -16.093 16.974 -13.575 398 HZ PHE 51 HZ PHE 51 -14.054 18.326 -13.857 399 H ARG 52 H ARG 52 -12.489 10.993 -15.852 400 HA ARG 52 HA ARG 52 -12.803 8.484 -14.348 401 1HB ARG 52 2HB ARG 52 -13.390 8.953 -17.120 402 2HB ARG 52 3HB ARG 52 -12.047 7.826 -16.991 403 1HG ARG 52 2HG ARG 52 -13.509 6.207 -16.630 404 2HG ARG 52 3HG ARG 52 -13.936 6.983 -15.103 405 1HD ARG 52 2HD ARG 52 -15.989 6.887 -16.127 406 2HD ARG 52 3HD ARG 52 -15.438 8.482 -16.638 407 HE ARG 52 HE ARG 52 -14.577 6.846 -18.622 408 1HH1 ARG 52 2HH1 ARG 52 -17.666 7.387 -17.109 409 2HH1 ARG 52 1HH1 ARG 52 -18.576 7.005 -18.532 410 1HH2 ARG 52 2HH2 ARG 52 -15.765 6.340 -20.502 411 2HH2 ARG 52 1HH2 ARG 52 -17.494 6.409 -20.461 412 H ILE 53 H ILE 53 -10.947 7.285 -14.023 413 HA ILE 53 HA ILE 53 -8.433 8.478 -14.987 414 HB ILE 53 HB ILE 53 -7.417 8.396 -12.924 415 1HG1 ILE 53 2HG1 ILE 53 -8.736 7.077 -11.007 416 2HG1 ILE 53 3HG1 ILE 53 -9.332 6.178 -12.398 417 1HG2 ILE 53 1HG2 ILE 53 -9.582 9.868 -13.052 418 2HG2 ILE 53 2HG2 ILE 53 -10.156 8.759 -11.808 419 3HG2 ILE 53 3HG2 ILE 53 -8.694 9.706 -11.537 420 1HD1 ILE 53 1HD1 ILE 53 -6.897 5.861 -11.029 421 2HD1 ILE 53 2HD1 ILE 53 -7.465 5.004 -12.462 422 3HD1 ILE 53 3HD1 ILE 53 -6.511 6.477 -12.635 423 H LEU 54 H LEU 54 -6.929 7.091 -15.748 424 HA LEU 54 HA LEU 54 -7.531 4.214 -15.545 425 1HB LEU 54 2HB LEU 54 -7.630 5.520 -17.817 426 2HB LEU 54 3HB LEU 54 -5.877 5.345 -17.755 427 HG LEU 54 HG LEU 54 -7.917 3.125 -17.837 428 1HD1 LEU 54 1HD1 LEU 54 -6.023 4.319 -19.818 429 2HD1 LEU 54 2HD1 LEU 54 -7.725 3.901 -20.008 430 3HD1 LEU 54 3HD1 LEU 54 -6.506 2.627 -19.947 431 1HD2 LEU 54 1HD2 LEU 54 -5.685 1.795 -18.160 432 2HD2 LEU 54 2HD2 LEU 54 -6.283 2.161 -16.542 433 3HD2 LEU 54 3HD2 LEU 54 -4.994 3.137 -17.248 434 H PHE 55 H PHE 55 -6.133 3.133 -14.340 435 HA PHE 55 HA PHE 55 -3.336 4.057 -14.259 436 1HB PHE 55 2HB PHE 55 -4.163 4.465 -12.094 437 2HB PHE 55 3HB PHE 55 -5.099 2.974 -12.075 438 HD1 PHE 55 HD1 PHE 55 -1.556 3.352 -13.073 439 HD2 PHE 55 HD2 PHE 55 -4.291 1.961 -10.123 440 HE1 PHE 55 HE1 PHE 55 0.287 2.215 -11.904 441 HE2 PHE 55 HE2 PHE 55 -2.453 0.823 -8.949 442 HZ PHE 55 HZ PHE 55 -0.160 0.950 -9.839 443 H GLN 56 H GLN 56 -1.927 2.674 -15.087 444 HA GLN 56 HA GLN 56 -2.474 -0.205 -14.902 445 1HB GLN 56 2HB GLN 56 -1.958 -0.602 -17.167 446 2HB GLN 56 3HB GLN 56 -3.051 0.776 -17.183 447 1HG GLN 56 2HG GLN 56 -0.755 2.105 -17.112 448 2HG GLN 56 3HG GLN 56 -0.176 0.621 -17.867 449 1HE2 GLN 56 1HE2 GLN 56 0.185 2.504 -19.487 450 2HE2 GLN 56 2HE2 GLN 56 -1.050 2.682 -20.681 451 H SER 57 H SER 57 -0.620 -1.552 -14.928 452 HA SER 57 HA SER 57 1.729 -0.243 -13.833 453 1HB SER 57 2HB SER 57 0.743 -3.068 -13.972 454 2HB SER 57 3HB SER 57 2.457 -2.770 -13.682 455 HG SER 57 HG SER 57 1.982 -1.776 -11.802 456 H LYS 58 H LYS 58 3.865 -1.550 -14.516 457 HA LYS 58 HA LYS 58 4.378 -0.757 -17.199 458 1HB LYS 58 2HB LYS 58 5.906 -1.417 -14.924 459 2HB LYS 58 3HB LYS 58 6.391 -2.547 -16.181 460 1HG LYS 58 2HG LYS 58 6.329 0.444 -16.513 461 2HG LYS 58 3HG LYS 58 7.766 -0.493 -16.098 462 1HD LYS 58 2HD LYS 58 6.316 -1.475 -18.450 463 2HD LYS 58 3HD LYS 58 6.991 0.145 -18.635 464 1HE LYS 58 2HE LYS 58 8.557 -2.246 -17.677 465 2HE LYS 58 3HE LYS 58 8.512 -1.702 -19.354 466 1HZ LYS 58 1HZ LYS 58 10.102 -0.257 -18.889 467 2HZ LYS 58 2HZ LYS 58 10.145 -0.779 -17.281 468 3HZ LYS 58 3HZ LYS 58 9.125 0.494 -17.729 469 H LYS 59 H LYS 59 4.316 -3.950 -15.618 470 HA LYS 59 HA LYS 59 4.502 -5.324 -18.145 471 1HB LYS 59 2HB LYS 59 3.821 -6.510 -15.453 472 2HB LYS 59 3HB LYS 59 4.462 -7.349 -16.860 473 1HG LYS 59 2HG LYS 59 6.264 -5.265 -16.206 474 2HG LYS 59 3HG LYS 59 5.870 -6.132 -14.720 475 1HD LYS 59 2HD LYS 59 7.683 -7.321 -15.562 476 2HD LYS 59 3HD LYS 59 6.296 -8.261 -16.119 477 1HE LYS 59 2HE LYS 59 6.483 -6.743 -18.233 478 2HE LYS 59 3HE LYS 59 8.130 -6.478 -17.665 479 1HZ LYS 59 1HZ LYS 59 6.868 -9.025 -18.481 480 2HZ LYS 59 2HZ LYS 59 8.296 -8.986 -17.577 481 3HZ LYS 59 3HZ LYS 59 8.252 -8.289 -19.118 482 H LEU 60 H LEU 60 1.987 -4.383 -15.915 483 HA LEU 60 HA LEU 60 -0.264 -4.948 -15.845 484 1HB LEU 60 2HB LEU 60 -1.311 -4.184 -18.073 485 2HB LEU 60 3HB LEU 60 -0.436 -3.012 -17.090 486 HG LEU 60 HG LEU 60 1.567 -3.676 -18.661 487 1HD1 LEU 60 1HD1 LEU 60 0.888 -5.256 -20.120 488 2HD1 LEU 60 2HD1 LEU 60 0.285 -3.861 -21.013 489 3HD1 LEU 60 3HD1 LEU 60 -0.811 -4.798 -19.998 490 1HD2 LEU 60 1HD2 LEU 60 1.253 -1.674 -19.696 491 2HD2 LEU 60 2HD2 LEU 60 0.069 -1.502 -18.400 492 3HD2 LEU 60 3HD2 LEU 60 -0.454 -1.979 -20.016 493 H SER 61 H SER 61 0.913 -7.329 -16.060 494 HA SER 61 HA SER 61 -0.253 -8.721 -18.355 495 1HB SER 61 2HB SER 61 2.079 -9.238 -17.864 496 2HB SER 61 3HB SER 61 1.657 -9.686 -16.211 497 HG SER 61 HG SER 61 1.705 -11.249 -18.311 498 H GLU 62 H GLU 62 -1.625 -10.522 -18.109 499 HA GLU 62 HA GLU 62 -3.533 -10.265 -16.015 500 1HB GLU 62 2HB GLU 62 -3.159 -12.262 -18.237 501 2HB GLU 62 3HB GLU 62 -4.445 -12.427 -17.050 502 1HG GLU 62 2HG GLU 62 -5.327 -10.244 -17.699 503 2HG GLU 62 3HG GLU 62 -4.041 -10.082 -18.893 504 H LEU 63 H LEU 63 -0.652 -12.099 -16.405 505 HA LEU 63 HA LEU 63 -1.127 -14.322 -14.810 506 1HB LEU 63 2HB LEU 63 1.288 -12.739 -15.523 507 2HB LEU 63 3HB LEU 63 1.423 -13.933 -14.234 508 HG LEU 63 HG LEU 63 0.801 -15.704 -15.758 509 1HD1 LEU 63 1HD1 LEU 63 0.458 -13.481 -17.759 510 2HD1 LEU 63 2HD1 LEU 63 -0.766 -14.612 -17.183 511 3HD1 LEU 63 3HD1 LEU 63 0.562 -15.188 -18.191 512 1HD2 LEU 63 1HD2 LEU 63 3.116 -15.358 -15.727 513 2HD2 LEU 63 2HD2 LEU 63 2.997 -13.861 -16.652 514 3HD2 LEU 63 3HD2 LEU 63 2.703 -15.412 -17.441 515 H HIS 64 H HIS 64 0.243 -14.567 -12.642 516 HA HIS 64 HA HIS 64 0.372 -14.124 -10.414 517 1HB HIS 64 2HB HIS 64 -0.011 -11.213 -11.117 518 2HB HIS 64 3HB HIS 64 0.777 -11.881 -9.690 519 HD1 HIS 64 HD1 HIS 64 1.462 -10.669 -13.049 520 HD2 HIS 64 HD2 HIS 64 3.309 -13.210 -10.329 521 HE1 HIS 64 HE1 HIS 64 3.839 -10.887 -13.840 522 HA PRO 65 HA PRO 65 -4.251 -13.866 -10.290 523 1HB PRO 65 2HB PRO 65 -4.571 -16.212 -8.963 524 2HB PRO 65 3HB PRO 65 -4.442 -16.114 -10.723 525 1HG PRO 65 2HG PRO 65 -2.344 -16.814 -8.706 526 2HG PRO 65 3HG PRO 65 -2.692 -17.576 -10.269 527 1HD PRO 65 2HD PRO 65 -0.664 -15.815 -9.926 528 2HD PRO 65 3HD PRO 65 -1.558 -15.956 -11.453 529 H GLU 66 H GLU 66 -1.886 -14.770 -7.819 530 HA GLU 66 HA GLU 66 -3.565 -14.168 -5.601 531 1HB GLU 66 2HB GLU 66 -0.924 -15.191 -6.024 532 2HB GLU 66 3HB GLU 66 -0.846 -13.888 -4.847 533 1HG GLU 66 2HG GLU 66 -1.260 -15.590 -3.426 534 2HG GLU 66 3HG GLU 66 -2.927 -15.197 -3.843 535 H GLU 67 H GLU 67 -1.450 -12.303 -7.634 536 HA GLU 67 HA GLU 67 -1.222 -10.063 -5.867 537 1HB GLU 67 2HB GLU 67 -0.658 -10.423 -8.808 538 2HB GLU 67 3HB GLU 67 -0.416 -8.894 -7.974 539 1HG GLU 67 2HG GLU 67 1.062 -10.228 -6.364 540 2HG GLU 67 3HG GLU 67 1.038 -11.484 -7.601 541 H ARG 68 H ARG 68 -3.449 -11.064 -8.359 542 HA ARG 68 HA ARG 68 -4.683 -8.689 -9.029 543 1HB ARG 68 2HB ARG 68 -5.502 -11.531 -8.953 544 2HB ARG 68 3HB ARG 68 -6.810 -10.357 -9.002 545 1HG ARG 68 2HG ARG 68 -6.126 -9.510 -11.073 546 2HG ARG 68 3HG ARG 68 -4.532 -10.257 -10.948 547 1HD ARG 68 2HD ARG 68 -6.147 -11.373 -12.531 548 2HD ARG 68 3HD ARG 68 -5.415 -12.421 -11.317 549 HE ARG 68 HE ARG 68 -7.911 -11.381 -10.432 550 1HH1 ARG 68 2HH1 ARG 68 -6.470 -13.786 -12.495 551 2HH1 ARG 68 1HH1 ARG 68 -7.823 -14.865 -12.402 552 1HH2 ARG 68 2HH2 ARG 68 -9.698 -12.792 -10.302 553 2HH2 ARG 68 1HH2 ARG 68 -9.659 -14.298 -11.155 554 H LYS 69 H LYS 69 -5.500 -10.863 -6.332 555 HA LYS 69 HA LYS 69 -7.563 -9.228 -5.291 556 1HB LYS 69 2HB LYS 69 -7.290 -10.623 -3.234 557 2HB LYS 69 3HB LYS 69 -7.513 -11.555 -4.709 558 1HG LYS 69 2HG LYS 69 -5.167 -12.067 -4.803 559 2HG LYS 69 3HG LYS 69 -4.844 -11.009 -3.428 560 1HD LYS 69 2HD LYS 69 -6.681 -13.390 -3.277 561 2HD LYS 69 3HD LYS 69 -4.956 -13.480 -2.916 562 1HE LYS 69 2HE LYS 69 -5.338 -11.627 -1.243 563 2HE LYS 69 3HE LYS 69 -7.066 -11.871 -1.493 564 1HZ LYS 69 1HZ LYS 69 -5.100 -13.713 -0.289 565 2HZ LYS 69 2HZ LYS 69 -6.553 -14.298 -0.928 566 3HZ LYS 69 3HZ LYS 69 -6.577 -13.179 0.340 567 H LYS 70 H LYS 70 -4.100 -9.330 -4.812 568 HA LYS 70 HA LYS 70 -3.994 -7.741 -2.474 569 1HB LYS 70 2HB LYS 70 -2.142 -9.189 -3.412 570 2HB LYS 70 3HB LYS 70 -1.864 -7.927 -4.605 571 1HG LYS 70 2HG LYS 70 -0.344 -7.264 -3.075 572 2HG LYS 70 3HG LYS 70 -1.748 -6.436 -2.397 573 1HD LYS 70 2HD LYS 70 -1.036 -9.230 -1.566 574 2HD LYS 70 3HD LYS 70 -0.268 -7.829 -0.816 575 1HE LYS 70 2HE LYS 70 -2.667 -6.979 -0.444 576 2HE LYS 70 3HE LYS 70 -3.157 -8.639 -0.782 577 1HZ LYS 70 1HZ LYS 70 -2.557 -9.257 1.247 578 2HZ LYS 70 2HZ LYS 70 -2.330 -7.626 1.634 579 3HZ LYS 70 3HZ LYS 70 -1.024 -8.557 1.096 580 H VAL 71 H VAL 71 -3.514 -6.913 -5.905 581 HA VAL 71 HA VAL 71 -3.216 -4.133 -5.461 582 HB VAL 71 HB VAL 71 -3.593 -3.886 -7.883 583 1HG1 VAL 71 1HG1 VAL 71 -1.819 -6.254 -7.312 584 2HG1 VAL 71 2HG1 VAL 71 -1.647 -5.066 -8.606 585 3HG1 VAL 71 3HG1 VAL 71 -1.390 -4.587 -6.927 586 1HG2 VAL 71 1HG2 VAL 71 -3.941 -5.934 -9.244 587 2HG2 VAL 71 2HG2 VAL 71 -4.249 -6.828 -7.755 588 3HG2 VAL 71 3HG2 VAL 71 -5.327 -5.517 -8.236 589 H ARG 72 H ARG 72 -5.995 -6.187 -6.113 590 HA ARG 72 HA ARG 72 -7.865 -4.166 -6.676 591 1HB ARG 72 2HB ARG 72 -8.105 -6.977 -5.640 592 2HB ARG 72 3HB ARG 72 -9.524 -5.950 -5.796 593 1HG ARG 72 2HG ARG 72 -7.673 -6.366 -8.110 594 2HG ARG 72 3HG ARG 72 -8.928 -7.544 -7.721 595 1HD ARG 72 2HD ARG 72 -9.377 -4.611 -8.261 596 2HD ARG 72 3HD ARG 72 -9.673 -5.920 -9.405 597 HE ARG 72 HE ARG 72 -11.385 -5.082 -7.295 598 1HH1 ARG 72 2HH1 ARG 72 -10.326 -7.884 -9.069 599 2HH1 ARG 72 1HH1 ARG 72 -11.786 -8.774 -8.790 600 1HH2 ARG 72 2HH2 ARG 72 -13.312 -6.244 -6.921 601 2HH2 ARG 72 1HH2 ARG 72 -13.484 -7.840 -7.569 602 H GLU 73 H GLU 73 -7.204 -5.882 -3.621 603 HA GLU 73 HA GLU 73 -8.962 -4.253 -2.088 604 1HB GLU 73 2HB GLU 73 -8.071 -5.386 -0.163 605 2HB GLU 73 3HB GLU 73 -8.272 -6.562 -1.455 606 1HG GLU 73 2HG GLU 73 -5.814 -6.187 -1.970 607 2HG GLU 73 3HG GLU 73 -5.732 -5.349 -0.421 608 H LYS 74 H LYS 74 -5.552 -4.115 -2.879 609 HA LYS 74 HA LYS 74 -4.731 -2.235 -0.966 610 1HB LYS 74 2HB LYS 74 -3.146 -3.521 -2.311 611 2HB LYS 74 3HB LYS 74 -3.690 -2.701 -3.768 612 1HG LYS 74 2HG LYS 74 -1.593 -1.772 -3.026 613 2HG LYS 74 3HG LYS 74 -2.876 -0.571 -2.855 614 1HD LYS 74 2HD LYS 74 -1.513 -0.493 -0.887 615 2HD LYS 74 3HD LYS 74 -3.062 -1.218 -0.451 616 1HE LYS 74 2HE LYS 74 -2.144 -3.362 -0.296 617 2HE LYS 74 3HE LYS 74 -0.711 -2.915 -1.220 618 1HZ LYS 74 1HZ LYS 74 -1.371 -2.207 1.576 619 2HZ LYS 74 2HZ LYS 74 -0.173 -1.393 0.702 620 3HZ LYS 74 3HZ LYS 74 -0.023 -3.051 1.001 621 H PHE 75 H PHE 75 -5.729 -1.730 -4.352 622 HA PHE 75 HA PHE 75 -5.693 1.111 -4.135 623 1HB PHE 75 2HB PHE 75 -6.027 1.082 -6.368 624 2HB PHE 75 3HB PHE 75 -5.744 -0.650 -6.226 625 HD1 PHE 75 HD1 PHE 75 -8.281 1.962 -6.623 626 HD2 PHE 75 HD2 PHE 75 -7.543 -2.226 -6.434 627 HE1 PHE 75 HE1 PHE 75 -10.534 1.528 -7.513 628 HE2 PHE 75 HE2 PHE 75 -9.794 -2.667 -7.324 629 HZ PHE 75 HZ PHE 75 -11.292 -0.789 -7.865 630 H ASP 76 H ASP 76 -8.144 -1.365 -3.753 631 HA ASP 76 HA ASP 76 -10.403 0.326 -3.758 632 1HB ASP 76 2HB ASP 76 -10.731 -2.027 -4.048 633 2HB ASP 76 3HB ASP 76 -9.923 -2.388 -2.525 634 H GLU 77 H GLU 77 -8.459 -0.992 -1.085 635 HA GLU 77 HA GLU 77 -9.911 0.328 0.959 636 1HB GLU 77 2HB GLU 77 -7.147 -0.879 0.893 637 2HB GLU 77 3HB GLU 77 -7.852 -0.186 2.346 638 1HG GLU 77 2HG GLU 77 -9.582 -1.814 2.383 639 2HG GLU 77 3HG GLU 77 -9.140 -2.405 0.783 640 H ASN 78 H ASN 78 -6.818 1.065 -0.633 641 HA ASN 78 HA ASN 78 -6.203 3.386 0.789 642 1HB ASN 78 2HB ASN 78 -4.618 2.220 -0.705 643 2HB ASN 78 3HB ASN 78 -5.549 2.760 -2.099 644 1HD2 ASN 78 1HD2 ASN 78 -3.794 3.866 -2.950 645 2HD2 ASN 78 2HD2 ASN 78 -3.228 5.353 -2.276 646 H SER 79 H SER 79 -8.309 2.873 -1.969 647 HA SER 79 HA SER 79 -8.700 5.659 -2.512 648 1HB SER 79 2HB SER 79 -10.379 4.929 -4.098 649 2HB SER 79 3HB SER 79 -8.978 3.866 -4.230 650 HG SER 79 HG SER 79 -11.507 3.223 -3.675 651 H ARG 80 H ARG 80 -10.417 3.175 -0.697 652 HA ARG 80 HA ARG 80 -12.623 4.927 -0.069 653 1HB ARG 80 2HB ARG 80 -13.645 3.091 0.884 654 2HB ARG 80 3HB ARG 80 -12.599 2.317 -0.299 655 1HG ARG 80 2HG ARG 80 -12.007 1.030 1.436 656 2HG ARG 80 3HG ARG 80 -10.954 2.388 1.841 657 1HD ARG 80 2HD ARG 80 -12.279 3.079 3.569 658 2HD ARG 80 3HD ARG 80 -13.753 2.455 2.830 659 HE ARG 80 HE ARG 80 -12.275 0.235 3.461 660 1HH1 ARG 80 2HH1 ARG 80 -13.560 2.958 5.210 661 2HH1 ARG 80 1HH1 ARG 80 -13.753 2.081 6.692 662 1HH2 ARG 80 2HH2 ARG 80 -12.525 -0.930 5.406 663 2HH2 ARG 80 1HH2 ARG 80 -13.164 -0.130 6.803 664 H MET 81 H MET 81 -9.507 4.587 1.062 665 HA MET 81 HA MET 81 -9.477 4.640 3.758 666 1HB MET 81 2HB MET 81 -7.915 6.119 1.704 667 2HB MET 81 3HB MET 81 -7.732 6.627 3.377 668 1HG MET 81 2HG MET 81 -7.345 3.804 2.416 669 2HG MET 81 3HG MET 81 -6.045 4.978 2.612 670 1HE MET 81 1HE MET 81 -7.124 2.015 3.861 671 2HE MET 81 2HE MET 81 -7.302 2.064 5.615 672 3HE MET 81 3HE MET 81 -8.621 2.610 4.578 673 H GLN 82 H GLN 82 -9.979 6.009 5.416 674 HA GLN 82 HA GLN 82 -12.116 7.752 5.173 675 1HB GLN 82 2HB GLN 82 -9.983 7.896 7.307 676 2HB GLN 82 3HB GLN 82 -11.645 8.455 7.435 677 1HG GLN 82 2HG GLN 82 -12.383 6.092 7.123 678 2HG GLN 82 3HG GLN 82 -10.689 5.613 7.224 679 1HE2 GLN 82 1HE2 GLN 82 -10.638 4.539 9.100 680 2HE2 GLN 82 2HE2 GLN 82 -11.080 5.205 10.632 681 H TYR 83 H TYR 83 -12.337 9.979 5.084 682 HA TYR 83 HA TYR 83 -10.569 11.389 3.459 683 1HB TYR 83 2HB TYR 83 -13.057 11.892 4.772 684 2HB TYR 83 3HB TYR 83 -11.994 13.268 5.045 685 HD1 TYR 83 HD1 TYR 83 -10.483 13.463 2.573 686 HD2 TYR 83 HD2 TYR 83 -14.592 12.524 3.156 687 HE1 TYR 83 HE1 TYR 83 -10.989 14.305 0.318 688 HE2 TYR 83 HE2 TYR 83 -15.109 13.363 0.902 689 HH TYR 83 HH TYR 83 -13.068 15.265 -0.864 690 H SER 84 H SER 84 -10.781 11.178 6.959 691 HA SER 84 HA SER 84 -9.092 13.302 7.636 692 1HB SER 84 2HB SER 84 -9.133 10.743 9.213 693 2HB SER 84 3HB SER 84 -9.039 12.404 9.798 694 HG SER 84 HG SER 84 -11.152 12.592 9.651 695 H GLU 85 H GLU 85 -8.319 9.856 7.174 696 HA GLU 85 HA GLU 85 -5.517 10.222 7.517 697 1HB GLU 85 2HB GLU 85 -7.053 8.061 7.649 698 2HB GLU 85 3HB GLU 85 -6.582 7.912 5.962 699 1HG GLU 85 2HG GLU 85 -5.125 6.620 7.422 700 2HG GLU 85 3HG GLU 85 -4.241 7.897 6.589 701 H LEU 86 H LEU 86 -7.682 10.250 4.765 702 HA LEU 86 HA LEU 86 -5.719 10.078 2.738 703 1HB LEU 86 2HB LEU 86 -8.455 10.112 2.821 704 2HB LEU 86 3HB LEU 86 -8.084 11.676 2.097 705 HG LEU 86 HG LEU 86 -6.624 9.454 0.883 706 1HD1 LEU 86 1HD1 LEU 86 -8.308 8.168 0.091 707 2HD1 LEU 86 2HD1 LEU 86 -9.473 9.491 0.097 708 3HD1 LEU 86 3HD1 LEU 86 -9.072 8.663 1.602 709 1HD2 LEU 86 1HD2 LEU 86 -8.481 11.105 -0.682 710 2HD2 LEU 86 2HD2 LEU 86 -6.770 10.761 -0.939 711 3HD2 LEU 86 3HD2 LEU 86 -7.257 12.004 0.214 712 H MET 87 H MET 87 -7.431 12.888 4.109 713 HA MET 87 HA MET 87 -5.963 14.813 2.644 714 1HB MET 87 2HB MET 87 -8.015 14.797 4.690 715 2HB MET 87 3HB MET 87 -6.828 16.060 4.990 716 1HG MET 87 2HG MET 87 -8.742 16.833 3.659 717 2HG MET 87 3HG MET 87 -7.203 17.004 2.817 718 1HE MET 87 1HE MET 87 -6.906 14.777 0.218 719 2HE MET 87 2HE MET 87 -7.834 16.186 -0.293 720 3HE MET 87 3HE MET 87 -6.598 16.349 0.956 721 H THR 88 H THR 88 -5.340 13.082 5.581 722 HA THR 88 HA THR 88 -3.320 14.866 6.564 723 HB THR 88 HB THR 88 -4.084 12.045 7.315 724 HG1 THR 88 HG1 THR 88 -4.270 14.515 8.730 725 1HG2 THR 88 1HG2 THR 88 -1.825 13.761 8.302 726 2HG2 THR 88 2HG2 THR 88 -1.801 12.061 7.831 727 3HG2 THR 88 3HG2 THR 88 -2.575 12.548 9.339 728 H LYS 89 H LYS 89 -3.383 11.935 4.620 729 HA LYS 89 HA LYS 89 -0.531 11.608 4.609 730 1HB LYS 89 2HB LYS 89 -2.769 10.066 3.847 731 2HB LYS 89 3HB LYS 89 -1.815 10.304 2.389 732 1HG LYS 89 2HG LYS 89 -0.851 8.405 3.188 733 2HG LYS 89 3HG LYS 89 0.168 9.613 3.975 734 1HD LYS 89 2HD LYS 89 -2.295 8.663 5.366 735 2HD LYS 89 3HD LYS 89 -0.867 7.625 5.346 736 1HE LYS 89 2HE LYS 89 0.151 10.103 5.999 737 2HE LYS 89 3HE LYS 89 -1.391 10.062 6.852 738 1HZ LYS 89 1HZ LYS 89 0.668 9.136 8.021 739 2HZ LYS 89 2HZ LYS 89 0.488 7.792 7.011 740 3HZ LYS 89 3HZ LYS 89 -0.752 8.218 8.079 741 H TYR 90 H TYR 90 -2.631 13.709 3.058 742 HA TYR 90 HA TYR 90 -0.780 14.089 0.800 743 1HB TYR 90 2HB TYR 90 -2.901 13.718 -0.123 744 2HB TYR 90 3HB TYR 90 -3.714 14.648 1.131 745 HD1 TYR 90 HD1 TYR 90 -4.367 16.830 0.685 746 HD2 TYR 90 HD2 TYR 90 -1.311 15.066 -1.692 747 HE1 TYR 90 HE1 TYR 90 -4.373 18.807 -0.779 748 HE2 TYR 90 HE2 TYR 90 -1.308 17.037 -3.162 749 HH TYR 90 HH TYR 90 -3.069 18.878 -3.775 750 H HIS 91 H HIS 91 -2.360 15.645 3.505 751 HA HIS 91 HA HIS 91 -1.123 18.211 2.852 752 1HB HIS 91 2HB HIS 91 -3.574 17.789 3.753 753 2HB HIS 91 3HB HIS 91 -2.762 17.795 5.316 754 HD1 HIS 91 HD1 HIS 91 -2.723 20.019 6.371 755 HD2 HIS 91 HD2 HIS 91 -2.761 20.290 2.225 756 HE1 HIS 91 HE1 HIS 91 -2.775 22.481 5.858 757 H ASP 92 H ASP 92 -0.802 15.518 5.006 758 HA ASP 92 HA ASP 92 1.147 16.959 6.653 759 1HB ASP 92 2HB ASP 92 -0.815 15.224 7.393 760 2HB ASP 92 3HB ASP 92 0.564 14.135 7.277 761 H LEU 93 H LEU 93 0.857 13.872 4.894 762 HA LEU 93 HA LEU 93 3.540 13.114 5.103 763 1HB LEU 93 2HB LEU 93 1.241 12.073 3.972 764 2HB LEU 93 3HB LEU 93 2.308 12.325 2.592 765 HG LEU 93 HG LEU 93 2.545 10.066 3.369 766 1HD1 LEU 93 1HD1 LEU 93 4.859 9.954 3.490 767 2HD1 LEU 93 2HD1 LEU 93 4.984 11.443 4.424 768 3HD1 LEU 93 3HD1 LEU 93 4.576 11.510 2.710 769 1HD2 LEU 93 1HD2 LEU 93 2.646 9.414 5.520 770 2HD2 LEU 93 2HD2 LEU 93 1.936 10.997 5.834 771 3HD2 LEU 93 3HD2 LEU 93 3.678 10.764 5.992 772 H LYS 94 H LYS 94 2.067 15.558 3.227 773 HA LYS 94 HA LYS 94 3.835 15.664 1.034 774 1HB LYS 94 2HB LYS 94 3.080 18.085 0.912 775 2HB LYS 94 3HB LYS 94 1.809 16.871 0.843 776 1HG LYS 94 2HG LYS 94 0.793 18.009 2.452 777 2HG LYS 94 3HG LYS 94 2.053 17.427 3.543 778 1HD LYS 94 2HD LYS 94 2.673 19.815 1.894 779 2HD LYS 94 3HD LYS 94 1.521 20.020 3.217 780 1HE LYS 94 2HE LYS 94 3.459 18.608 4.462 781 2HE LYS 94 3HE LYS 94 4.422 19.499 3.283 782 1HZ LYS 94 1HZ LYS 94 3.747 20.478 5.653 783 2HZ LYS 94 2HZ LYS 94 2.438 21.042 4.743 784 3HZ LYS 94 3HZ LYS 94 4.017 21.453 4.297 785 H LYS 95 H LYS 95 4.303 16.368 4.318 786 HA LYS 95 HA LYS 95 6.139 18.474 4.240 787 1HB LYS 95 2HB LYS 95 5.218 17.770 6.341 788 2HB LYS 95 3HB LYS 95 5.870 16.148 6.147 789 1HG LYS 95 2HG LYS 95 7.163 17.415 7.759 790 2HG LYS 95 3HG LYS 95 8.138 17.032 6.339 791 1HD LYS 95 2HD LYS 95 8.594 19.296 6.895 792 2HD LYS 95 3HD LYS 95 7.564 19.322 5.462 793 1HE LYS 95 2HE LYS 95 6.349 20.804 6.631 794 2HE LYS 95 3HE LYS 95 5.713 19.379 7.451 795 1HZ LYS 95 1HZ LYS 95 8.182 20.556 8.485 796 2HZ LYS 95 2HZ LYS 95 6.919 19.795 9.314 797 3HZ LYS 95 3HZ LYS 95 6.737 21.388 8.775 798 H GLN 96 H GLN 96 6.546 15.034 3.674 799 HA GLN 96 HA GLN 96 9.346 15.558 2.924 800 1HB GLN 96 2HB GLN 96 8.327 12.926 3.986 801 2HB GLN 96 3HB GLN 96 9.998 13.409 3.729 802 1HG GLN 96 2HG GLN 96 9.600 15.194 5.483 803 2HG GLN 96 3HG GLN 96 8.099 14.347 5.853 804 1HE2 GLN 96 1HE2 GLN 96 10.940 14.782 7.093 805 2HE2 GLN 96 2HE2 GLN 96 11.306 13.217 7.727 806 H GLY 97 H GLY 97 6.799 15.539 1.357 807 1HA GLY 97 2HA GLY 97 7.734 13.686 -0.719 808 2HA GLY 97 3HA GLY 97 6.057 13.587 -0.203 809 H LYS 98 H LYS 98 6.577 14.053 -2.819 810 HA LYS 98 HA LYS 98 5.765 16.865 -3.122 811 1HB LYS 98 2HB LYS 98 7.275 15.580 -5.339 812 2HB LYS 98 3HB LYS 98 7.230 17.266 -4.839 813 1HG LYS 98 2HG LYS 98 9.343 16.747 -4.198 814 2HG LYS 98 3HG LYS 98 8.485 16.295 -2.723 815 1HD LYS 98 2HD LYS 98 8.304 13.975 -4.023 816 2HD LYS 98 3HD LYS 98 9.777 14.588 -4.777 817 1HE LYS 98 2HE LYS 98 10.300 15.114 -2.181 818 2HE LYS 98 3HE LYS 98 9.290 13.679 -2.015 819 1HZ LYS 98 1HZ LYS 98 11.029 12.450 -2.561 820 2HZ LYS 98 2HZ LYS 98 11.988 13.829 -2.757 821 3HZ LYS 98 3HZ LYS 98 11.121 13.209 -4.070 822 H ILE 99 H ILE 99 4.322 17.304 -4.837 823 HA ILE 99 HA ILE 99 3.216 15.031 -6.295 824 HB ILE 99 HB ILE 99 1.802 15.029 -4.369 825 1HG1 ILE 99 2HG1 ILE 99 0.440 16.482 -6.648 826 2HG1 ILE 99 3HG1 ILE 99 0.660 14.741 -6.514 827 1HG2 ILE 99 1HG2 ILE 99 1.335 17.973 -4.824 828 2HG2 ILE 99 2HG2 ILE 99 0.646 16.982 -3.539 829 3HG2 ILE 99 3HG2 ILE 99 2.381 17.294 -3.578 830 1HD1 ILE 99 1HD1 ILE 99 -0.645 15.113 -4.251 831 2HD1 ILE 99 2HD1 ILE 99 -1.243 16.528 -5.118 832 3HD1 ILE 99 3HD1 ILE 99 -1.482 14.916 -5.791 833 H LYS 100 H LYS 100 2.273 15.565 -8.236 834 HA LYS 100 HA LYS 100 2.343 18.419 -8.970 835 1HB LYS 100 2HB LYS 100 2.887 16.088 -10.814 836 2HB LYS 100 3HB LYS 100 3.035 17.798 -11.201 837 1HG LYS 100 2HG LYS 100 4.757 17.801 -9.243 838 2HG LYS 100 3HG LYS 100 4.818 16.065 -9.557 839 1HD LYS 100 2HD LYS 100 6.512 16.898 -10.911 840 2HD LYS 100 3HD LYS 100 5.150 16.764 -12.026 841 1HE LYS 100 2HE LYS 100 4.681 19.222 -11.348 842 2HE LYS 100 3HE LYS 100 6.352 19.210 -10.786 843 1HZ LYS 100 1HZ LYS 100 5.499 19.683 -13.343 844 2HZ LYS 100 2HZ LYS 100 6.106 18.106 -13.403 845 3HZ LYS 100 3HZ LYS 100 7.090 19.370 -12.860 846 H ASP 101 H ASP 101 0.637 19.245 -10.099 847 HA ASP 101 HA ASP 101 -1.680 17.463 -10.408 848 1HB ASP 101 2HB ASP 101 -2.046 19.344 -8.895 849 2HB ASP 101 3HB ASP 101 -1.556 20.475 -10.153 850 H ARG 102 H ARG 102 -1.085 16.639 -12.446 851 HA ARG 102 HA ARG 102 -0.508 18.337 -14.664 852 1HB ARG 102 2HB ARG 102 -0.401 16.379 -15.956 853 2HB ARG 102 3HB ARG 102 0.135 15.875 -14.359 854 1HG ARG 102 2HG ARG 102 -2.703 15.553 -15.284 855 2HG ARG 102 3HG ARG 102 -1.461 14.330 -15.561 856 1HD ARG 102 2HD ARG 102 -2.270 13.553 -13.586 857 2HD ARG 102 3HD ARG 102 -1.079 14.691 -12.956 858 HE ARG 102 HE ARG 102 -3.706 15.811 -13.354 859 1HH1 ARG 102 2HH1 ARG 102 -1.574 14.157 -11.155 860 2HH1 ARG 102 1HH1 ARG 102 -2.419 14.681 -9.736 861 1HH2 ARG 102 2HH2 ARG 102 -4.827 16.508 -11.494 862 2HH2 ARG 102 1HH2 ARG 102 -4.269 16.018 -9.930 863 HA PRO 103 HA PRO 103 -4.522 19.456 -16.045 864 1HB PRO 103 2HB PRO 103 -4.155 19.504 -18.734 865 2HB PRO 103 3HB PRO 103 -3.482 20.728 -17.651 866 1HG PRO 103 2HG PRO 103 -2.152 18.339 -18.869 867 2HG PRO 103 3HG PRO 103 -1.536 19.992 -18.690 868 1HD PRO 103 2HD PRO 103 -0.824 17.983 -17.020 869 2HD PRO 103 3HD PRO 103 -0.954 19.671 -16.483 870 H VAL 104 H VAL 104 -6.401 18.440 -16.433 871 HA VAL 104 HA VAL 104 -6.449 15.641 -16.935 872 HB VAL 104 HB VAL 104 -8.140 16.826 -15.546 873 1HG1 VAL 104 1HG1 VAL 104 -9.707 18.276 -16.393 874 2HG1 VAL 104 2HG1 VAL 104 -8.307 18.688 -17.384 875 3HG1 VAL 104 3HG1 VAL 104 -9.570 17.640 -18.031 876 1HG2 VAL 104 1HG2 VAL 104 -9.292 15.302 -17.881 877 2HG2 VAL 104 2HG2 VAL 104 -8.553 14.577 -16.453 878 3HG2 VAL 104 3HG2 VAL 104 -10.040 15.512 -16.297 879 H LYS 105 H LYS 105 -6.885 14.511 -18.756 880 HA LYS 105 HA LYS 105 -6.779 15.957 -21.269 881 1HB LYS 105 2HB LYS 105 -6.530 13.082 -20.463 882 2HB LYS 105 3HB LYS 105 -6.858 13.488 -22.143 883 1HG LYS 105 2HG LYS 105 -4.516 14.523 -20.558 884 2HG LYS 105 3HG LYS 105 -4.462 13.146 -21.661 885 1HD LYS 105 2HD LYS 105 -3.937 14.628 -23.250 886 2HD LYS 105 3HD LYS 105 -5.626 15.133 -23.179 887 1HE LYS 105 2HE LYS 105 -5.121 17.081 -22.187 888 2HE LYS 105 3HE LYS 105 -3.938 16.334 -21.114 889 1HZ LYS 105 1HZ LYS 105 -3.223 18.005 -22.987 890 2HZ LYS 105 2HZ LYS 105 -3.244 16.610 -23.943 891 3HZ LYS 105 3HZ LYS 105 -2.250 16.684 -22.576 892 H GLU 106 H GLU 106 -8.378 16.065 -22.785 893 HA GLU 106 HA GLU 106 -11.066 15.684 -21.874 894 1HB GLU 106 2HB GLU 106 -11.670 16.497 -24.162 895 2HB GLU 106 3HB GLU 106 -10.615 17.580 -23.265 896 1HG GLU 106 2HG GLU 106 -9.227 15.638 -24.968 897 2HG GLU 106 3HG GLU 106 -10.221 16.813 -25.828 898 H VAL 107 H VAL 107 -12.538 14.156 -22.447 899 HA VAL 107 HA VAL 107 -11.508 11.871 -23.993 900 HB VAL 107 HB VAL 107 -13.408 12.065 -21.695 901 1HG1 VAL 107 1HG1 VAL 107 -14.012 9.635 -22.236 902 2HG1 VAL 107 2HG1 VAL 107 -14.819 10.905 -23.158 903 3HG1 VAL 107 3HG1 VAL 107 -13.483 10.006 -23.877 904 1HG2 VAL 107 1HG2 VAL 107 -10.835 10.865 -22.291 905 2HG2 VAL 107 2HG2 VAL 107 -11.583 11.214 -20.733 906 3HG2 VAL 107 3HG2 VAL 107 -11.960 9.711 -21.574 907 H HIS 108 H HIS 108 -12.650 11.046 -25.692 908 HA HIS 108 HA HIS 108 -15.090 12.505 -26.472 909 1HB HIS 108 2HB HIS 108 -12.951 11.373 -28.290 910 2HB HIS 108 3HB HIS 108 -14.428 12.172 -28.820 911 HD1 HIS 108 HD1 HIS 108 -14.614 14.757 -27.737 912 HD2 HIS 108 HD2 HIS 108 -10.852 13.062 -28.219 913 HE1 HIS 108 HE1 HIS 108 -13.001 16.686 -27.724 914 H GLU 109 H GLU 109 -16.237 11.153 -28.318 915 HA GLU 109 HA GLU 109 -17.003 8.679 -27.070 916 1HB GLU 109 2HB GLU 109 -17.907 9.783 -29.732 917 2HB GLU 109 3HB GLU 109 -18.715 8.555 -28.768 918 1HG GLU 109 2HG GLU 109 -18.696 10.511 -26.972 919 2HG GLU 109 3HG GLU 109 -18.648 11.494 -28.434 920 H GLU 110 H GLU 110 -16.102 6.770 -27.424 921 HA GLU 110 HA GLU 110 -15.589 5.592 -29.859 922 1HB GLU 110 2HB GLU 110 -13.621 7.546 -29.273 923 2HB GLU 110 3HB GLU 110 -12.860 5.973 -29.078 924 1HG GLU 110 2HG GLU 110 -14.281 5.726 -31.432 925 2HG GLU 110 3HG GLU 110 -13.649 7.370 -31.487 926 H TYR 111 H TYR 111 -13.439 3.976 -29.438 927 HA TYR 111 HA TYR 111 -13.962 2.750 -26.812 928 1HB TYR 111 2HB TYR 111 -13.443 1.189 -29.342 929 2HB TYR 111 3HB TYR 111 -13.967 0.566 -27.782 930 HD1 TYR 111 HD1 TYR 111 -16.285 0.909 -27.024 931 HD2 TYR 111 HD2 TYR 111 -15.009 2.145 -30.890 932 HE1 TYR 111 HE1 TYR 111 -18.633 1.096 -27.732 933 HE2 TYR 111 HE2 TYR 111 -17.354 2.337 -31.609 934 HH TYR 111 HH TYR 111 -19.839 0.959 -30.161 935 H ASP 112 H ASP 112 -12.065 3.753 -26.014 936 HA ASP 112 HA ASP 112 -9.581 2.496 -26.980 937 1HB ASP 112 2HB ASP 112 -9.913 5.039 -27.411 938 2HB ASP 112 3HB ASP 112 -9.596 5.206 -25.686 939 H LEU 113 H LEU 113 -11.029 4.163 -24.183 940 HA LEU 113 HA LEU 113 -9.218 3.265 -22.260 941 1HB LEU 113 2HB LEU 113 -12.127 3.675 -21.671 942 2HB LEU 113 3HB LEU 113 -10.735 4.010 -20.644 943 HG LEU 113 HG LEU 113 -11.665 5.593 -23.035 944 1HD1 LEU 113 1HD1 LEU 113 -11.648 6.038 -20.073 945 2HD1 LEU 113 2HD1 LEU 113 -12.976 6.219 -21.220 946 3HD1 LEU 113 3HD1 LEU 113 -11.662 7.394 -21.201 947 1HD2 LEU 113 1HD2 LEU 113 -9.769 7.132 -22.316 948 2HD2 LEU 113 2HD2 LEU 113 -9.323 5.664 -23.187 949 3HD2 LEU 113 3HD2 LEU 113 -9.126 5.744 -21.436 950 H TRP 114 H TRP 114 -10.402 1.951 -20.270 951 HA TRP 114 HA TRP 114 -10.306 -0.740 -21.076 952 1HB TRP 114 2HB TRP 114 -11.195 0.622 -18.544 953 2HB TRP 114 3HB TRP 114 -11.318 -1.125 -18.731 954 HD1 TRP 114 HD1 TRP 114 -9.165 1.086 -17.064 955 HE1 TRP 114 HE1 TRP 114 -6.728 0.265 -16.963 956 HE3 TRP 114 HE3 TRP 114 -9.344 -2.444 -20.757 957 HZ2 TRP 114 HZ2 TRP 114 -5.097 -1.628 -18.276 958 HZ3 TRP 114 HZ3 TRP 114 -7.302 -3.716 -21.272 959 HH2 TRP 114 HH2 TRP 114 -5.223 -3.315 -20.057 960 H GLU 115 H GLU 115 -12.908 1.532 -20.922 961 HA GLU 115 HA GLU 115 -15.194 1.292 -21.099 962 1HB GLU 115 2HB GLU 115 -15.793 0.039 -23.204 963 2HB GLU 115 3HB GLU 115 -14.588 1.304 -23.399 964 1HG GLU 115 2HG GLU 115 -12.817 -0.344 -23.427 965 2HG GLU 115 3HG GLU 115 -13.984 -1.633 -23.139 966 H ASP 116 H ASP 116 -15.116 0.049 -18.990 967 HA ASP 116 HA ASP 116 -16.906 -2.083 -19.070 968 1HB ASP 116 2HB ASP 116 -15.482 -3.714 -19.774 969 2HB ASP 116 3HB ASP 116 -14.050 -2.847 -19.227 970 HA PRO 117 HA PRO 117 -15.117 -1.739 -14.599 971 1HB PRO 117 2HB PRO 117 -12.911 -0.197 -14.248 972 2HB PRO 117 3HB PRO 117 -12.827 -1.922 -14.623 973 1HG PRO 117 2HG PRO 117 -12.527 0.431 -16.450 974 2HG PRO 117 3HG PRO 117 -11.574 -1.063 -16.383 975 1HD PRO 117 2HD PRO 117 -13.524 -0.660 -18.218 976 2HD PRO 117 3HD PRO 117 -13.144 -2.267 -17.566 977 H ILE 118 H ILE 118 -14.220 1.254 -16.331 978 HA ILE 118 HA ILE 118 -15.450 2.912 -14.328 979 HB ILE 118 HB ILE 118 -14.657 4.761 -15.511 980 1HG1 ILE 118 2HG1 ILE 118 -15.717 4.139 -17.677 981 2HG1 ILE 118 3HG1 ILE 118 -14.090 4.783 -17.866 982 1HG2 ILE 118 1HG2 ILE 118 -12.844 3.393 -14.629 983 2HG2 ILE 118 2HG2 ILE 118 -12.757 2.509 -16.151 984 3HG2 ILE 118 3HG2 ILE 118 -12.344 4.223 -16.102 985 1HD1 ILE 118 1HD1 ILE 118 -14.376 2.917 -19.335 986 2HD1 ILE 118 2HD1 ILE 118 -13.251 2.463 -18.054 987 3HD1 ILE 118 3HD1 ILE 118 -14.921 1.896 -18.004 988 H TRP 119 H TRP 119 -16.532 1.260 -17.087 989 HA TRP 119 HA TRP 119 -18.570 3.025 -17.957 990 1HB TRP 119 2HB TRP 119 -17.606 1.038 -19.224 991 2HB TRP 119 3HB TRP 119 -18.625 0.019 -18.212 992 HD1 TRP 119 HD1 TRP 119 -21.076 -0.306 -18.969 993 HE1 TRP 119 HE1 TRP 119 -22.535 0.661 -20.855 994 HE3 TRP 119 HE3 TRP 119 -17.929 3.365 -20.628 995 HZ2 TRP 119 HZ2 TRP 119 -22.373 2.709 -22.791 996 HZ3 TRP 119 HZ3 TRP 119 -18.656 4.784 -22.502 997 HH2 TRP 119 HH2 TRP 119 -20.833 4.461 -23.560 998 H GLN 120 H GLN 120 -18.507 0.359 -15.636 999 HA GLN 120 HA GLN 120 -21.304 0.892 -14.945 1000 1HB GLN 120 2HB GLN 120 -20.436 -1.463 -15.391 1001 2HB GLN 120 3HB GLN 120 -19.575 -1.327 -13.863 1002 1HG GLN 120 2HG GLN 120 -21.609 -1.125 -12.645 1003 2HG GLN 120 3HG GLN 120 -22.548 -0.974 -14.130 1004 1HE2 GLN 120 1HE2 GLN 120 -23.503 -2.788 -12.576 1005 2HE2 GLN 120 2HE2 GLN 120 -23.067 -4.392 -13.047 1006 H TYR 121 H TYR 121 -18.406 0.018 -13.060 1007 HA TYR 121 HA TYR 121 -18.741 2.344 -11.366 1008 1HB TYR 121 2HB TYR 121 -19.040 1.142 -9.308 1009 2HB TYR 121 3HB TYR 121 -20.294 0.616 -10.425 1010 HD1 TYR 121 HD1 TYR 121 -19.793 -1.558 -11.766 1011 HD2 TYR 121 HD2 TYR 121 -17.746 -0.442 -8.207 1012 HE1 TYR 121 HE1 TYR 121 -19.119 -3.899 -11.428 1013 HE2 TYR 121 HE2 TYR 121 -17.065 -2.780 -7.859 1014 HH TYR 121 HH TYR 121 -17.123 -5.075 -10.163 1015 H ILE 122 H ILE 122 -16.827 3.056 -10.659 1016 HA ILE 122 HA ILE 122 -14.564 3.228 -10.442 1017 HB ILE 122 HB ILE 122 -14.854 0.373 -9.496 1018 1HG1 ILE 122 2HG1 ILE 122 -14.487 2.620 -7.600 1019 2HG1 ILE 122 3HG1 ILE 122 -16.050 2.536 -8.405 1020 1HG2 ILE 122 1HG2 ILE 122 -12.757 1.389 -8.125 1021 2HG2 ILE 122 2HG2 ILE 122 -12.609 0.440 -9.603 1022 3HG2 ILE 122 3HG2 ILE 122 -12.560 2.202 -9.677 1023 1HD1 ILE 122 1HD1 ILE 122 -15.247 -0.047 -7.411 1024 2HD1 ILE 122 2HD1 ILE 122 -15.266 1.166 -6.131 1025 3HD1 ILE 122 3HD1 ILE 122 -16.714 0.880 -7.097 Start of MODEL 18 1 H MET 1 H MET 1 8.081 -3.101 -3.562 2 HA MET 1 HA MET 1 5.728 -4.803 -3.495 3 1HB MET 1 2HB MET 1 5.847 -1.826 -3.019 4 2HB MET 1 3HB MET 1 4.596 -2.948 -2.502 5 1HG MET 1 2HG MET 1 6.404 -4.071 -1.110 6 2HG MET 1 3HG MET 1 7.380 -2.640 -1.436 7 1HE MET 1 1HE MET 1 7.652 -2.721 0.989 8 2HE MET 1 2HE MET 1 6.687 -1.705 2.060 9 3HE MET 1 3HE MET 1 6.302 -3.418 1.887 10 H GLN 2 H GLN 2 5.774 -5.264 -5.805 11 HA GLN 2 HA GLN 2 4.851 -3.028 -7.476 12 1HB GLN 2 2HB GLN 2 6.071 -5.690 -8.214 13 2HB GLN 2 3HB GLN 2 5.401 -4.566 -9.389 14 1HG GLN 2 2HG GLN 2 7.029 -2.884 -8.735 15 2HG GLN 2 3HG GLN 2 7.685 -3.979 -7.519 16 1HE2 GLN 2 1HE2 GLN 2 9.460 -4.978 -8.106 17 2HE2 GLN 2 2HE2 GLN 2 9.914 -5.398 -9.719 18 H LYS 3 H LYS 3 3.014 -3.252 -8.781 19 HA LYS 3 HA LYS 3 1.043 -5.116 -7.718 20 1HB LYS 3 2HB LYS 3 0.843 -2.693 -9.501 21 2HB LYS 3 3HB LYS 3 -0.528 -3.751 -9.193 22 1HG LYS 3 2HG LYS 3 0.026 -3.309 -6.695 23 2HG LYS 3 3HG LYS 3 0.900 -1.911 -7.327 24 1HD LYS 3 2HD LYS 3 -1.119 -1.103 -8.404 25 2HD LYS 3 3HD LYS 3 -2.002 -2.537 -7.874 26 1HE LYS 3 2HE LYS 3 -1.692 -1.892 -5.551 27 2HE LYS 3 3HE LYS 3 -0.740 -0.494 -6.047 28 1HZ LYS 3 1HZ LYS 3 -3.287 -0.558 -7.331 29 2HZ LYS 3 2HZ LYS 3 -2.576 0.675 -6.417 30 3HZ LYS 3 3HZ LYS 3 -3.444 -0.556 -5.646 31 H GLY 4 H GLY 4 1.647 -3.919 -11.024 32 1HA GLY 4 2HA GLY 4 2.109 -5.174 -12.942 33 2HA GLY 4 3HA GLY 4 1.901 -6.645 -12.002 34 H LEU 5 H LEU 5 -0.578 -4.315 -11.660 35 HA LEU 5 HA LEU 5 -2.247 -5.721 -13.633 36 1HB LEU 5 2HB LEU 5 -2.805 -5.149 -10.750 37 2HB LEU 5 3HB LEU 5 -4.131 -5.278 -11.904 38 HG LEU 5 HG LEU 5 -3.854 -7.372 -10.746 39 1HD1 LEU 5 1HD1 LEU 5 -2.724 -8.439 -13.128 40 2HD1 LEU 5 2HD1 LEU 5 -3.731 -7.055 -13.553 41 3HD1 LEU 5 3HD1 LEU 5 -4.415 -8.392 -12.629 42 1HD2 LEU 5 1HD2 LEU 5 -1.172 -7.885 -11.893 43 2HD2 LEU 5 2HD2 LEU 5 -1.890 -8.449 -10.383 44 3HD2 LEU 5 3HD2 LEU 5 -1.261 -6.805 -10.501 45 H GLU 6 H GLU 6 -4.149 -4.504 -14.326 46 HA GLU 6 HA GLU 6 -3.584 -1.621 -14.355 47 1HB GLU 6 2HB GLU 6 -5.338 -3.213 -16.232 48 2HB GLU 6 3HB GLU 6 -4.878 -1.526 -16.407 49 1HG GLU 6 2HG GLU 6 -2.664 -2.061 -16.931 50 2HG GLU 6 3HG GLU 6 -2.828 -3.708 -16.324 51 H ILE 7 H ILE 7 -4.855 -0.304 -13.242 52 HA ILE 7 HA ILE 7 -7.660 -1.045 -12.805 53 HB ILE 7 HB ILE 7 -7.200 0.152 -10.458 54 1HG1 ILE 7 2HG1 ILE 7 -4.677 0.137 -11.247 55 2HG1 ILE 7 3HG1 ILE 7 -5.099 -0.162 -9.564 56 1HG2 ILE 7 1HG2 ILE 7 -8.311 -1.878 -10.428 57 2HG2 ILE 7 2HG2 ILE 7 -7.006 -2.721 -11.263 58 3HG2 ILE 7 3HG2 ILE 7 -6.815 -2.254 -9.573 59 1HD1 ILE 7 1HD1 ILE 7 -4.815 -2.440 -11.470 60 2HD1 ILE 7 2HD1 ILE 7 -3.393 -1.697 -10.737 61 3HD1 ILE 7 3HD1 ILE 7 -4.638 -2.417 -9.716 62 H ALA 8 H ALA 8 -9.090 0.640 -12.797 63 HA ALA 8 HA ALA 8 -7.976 3.353 -13.055 64 1HB ALA 8 1HB ALA 8 -8.509 2.751 -15.276 65 2HB ALA 8 2HB ALA 8 -10.049 2.040 -14.792 66 3HB ALA 8 3HB ALA 8 -9.825 3.788 -14.723 67 H PHE 9 H PHE 9 -9.222 5.030 -12.226 68 HA PHE 9 HA PHE 9 -11.554 4.199 -10.628 69 1HB PHE 9 2HB PHE 9 -9.807 4.674 -9.079 70 2HB PHE 9 3HB PHE 9 -9.343 6.135 -9.944 71 HD1 PHE 9 HD1 PHE 9 -9.984 8.141 -9.045 72 HD2 PHE 9 HD2 PHE 9 -12.348 4.687 -8.271 73 HE1 PHE 9 HE1 PHE 9 -11.446 9.473 -7.580 74 HE2 PHE 9 HE2 PHE 9 -13.814 6.013 -6.806 75 HZ PHE 9 HZ PHE 9 -13.364 8.410 -6.460 76 H GLN 10 H GLN 10 -13.385 5.341 -10.866 77 HA GLN 10 HA GLN 10 -13.291 7.676 -12.652 78 1HB GLN 10 2HB GLN 10 -15.789 7.163 -12.905 79 2HB GLN 10 3HB GLN 10 -14.654 6.054 -13.662 80 1HG GLN 10 2HG GLN 10 -16.404 4.806 -12.601 81 2HG GLN 10 3HG GLN 10 -14.891 4.539 -11.737 82 1HE2 GLN 10 1HE2 GLN 10 -15.074 4.558 -9.626 83 2HE2 GLN 10 2HE2 GLN 10 -16.238 5.442 -8.705 84 H THR 11 H THR 11 -14.626 9.492 -12.195 85 HA THR 11 HA THR 11 -15.607 9.680 -9.432 86 HB THR 11 HB THR 11 -13.867 10.992 -8.909 87 HG1 THR 11 HG1 THR 11 -15.503 12.585 -9.255 88 1HG2 THR 11 1HG2 THR 11 -13.373 11.394 -11.862 89 2HG2 THR 11 2HG2 THR 11 -12.566 10.227 -10.814 90 3HG2 THR 11 3HG2 THR 11 -12.314 11.955 -10.569 91 H ILE 12 H ILE 12 -17.704 10.115 -9.569 92 HA ILE 12 HA ILE 12 -18.588 12.170 -11.477 93 HB ILE 12 HB ILE 12 -20.751 10.830 -11.672 94 1HG1 ILE 12 2HG1 ILE 12 -20.347 8.329 -11.445 95 2HG1 ILE 12 3HG1 ILE 12 -18.906 8.736 -10.521 96 1HG2 ILE 12 1HG2 ILE 12 -18.607 9.256 -12.965 97 2HG2 ILE 12 2HG2 ILE 12 -20.037 10.015 -13.663 98 3HG2 ILE 12 3HG2 ILE 12 -18.622 10.992 -13.273 99 1HD1 ILE 12 1HD1 ILE 12 -21.463 9.961 -9.671 100 2HD1 ILE 12 2HD1 ILE 12 -21.233 8.237 -9.372 101 3HD1 ILE 12 3HD1 ILE 12 -20.091 9.407 -8.711 102 H ASN 13 H ASN 13 -21.098 12.580 -10.898 103 HA ASN 13 HA ASN 13 -22.510 13.614 -9.445 104 1HB ASN 13 2HB ASN 13 -22.597 11.272 -8.543 105 2HB ASN 13 3HB ASN 13 -21.359 11.732 -7.377 106 1HD2 ASN 13 1HD2 ASN 13 -24.502 12.855 -8.580 107 2HD2 ASN 13 2HD2 ASN 13 -25.122 13.310 -7.033 108 H GLY 14 H GLY 14 -20.010 14.852 -9.853 109 1HA GLY 14 2HA GLY 14 -19.903 16.978 -8.286 110 2HA GLY 14 3HA GLY 14 -19.150 15.796 -7.225 111 H LEU 15 H LEU 15 -17.017 15.934 -7.232 112 HA LEU 15 HA LEU 15 -15.616 16.221 -9.782 113 1HB LEU 15 2HB LEU 15 -15.072 17.940 -7.366 114 2HB LEU 15 3HB LEU 15 -14.103 17.906 -8.837 115 HG LEU 15 HG LEU 15 -16.996 18.747 -8.764 116 1HD1 LEU 15 1HD1 LEU 15 -14.820 20.122 -7.675 117 2HD1 LEU 15 2HD1 LEU 15 -16.421 20.764 -8.043 118 3HD1 LEU 15 3HD1 LEU 15 -15.129 20.879 -9.238 119 1HD2 LEU 15 1HD2 LEU 15 -16.006 19.935 -10.910 120 2HD2 LEU 15 2HD2 LEU 15 -16.610 18.279 -10.962 121 3HD2 LEU 15 3HD2 LEU 15 -14.876 18.582 -10.839 122 H ASP 16 H ASP 16 -15.432 15.583 -6.313 123 HA ASP 16 HA ASP 16 -14.009 14.312 -5.060 124 1HB ASP 16 2HB ASP 16 -13.655 12.493 -7.412 125 2HB ASP 16 3HB ASP 16 -13.894 12.088 -5.715 126 H GLU 17 H GLU 17 -12.796 16.418 -6.710 127 HA GLU 17 HA GLU 17 -10.393 15.575 -7.886 128 1HB GLU 17 2HB GLU 17 -9.744 17.850 -7.891 129 2HB GLU 17 3HB GLU 17 -11.493 17.853 -8.072 130 1HG GLU 17 2HG GLU 17 -11.499 18.123 -5.491 131 2HG GLU 17 3HG GLU 17 -9.834 18.653 -5.726 132 H SER 18 H SER 18 -11.293 16.078 -4.568 133 HA SER 18 HA SER 18 -8.729 16.354 -3.441 134 1HB SER 18 2HB SER 18 -11.301 15.268 -2.278 135 2HB SER 18 3HB SER 18 -9.845 15.563 -1.328 136 HG SER 18 HG SER 18 -11.194 17.527 -2.870 137 H LEU 19 H LEU 19 -10.771 13.480 -3.906 138 HA LEU 19 HA LEU 19 -8.849 11.662 -2.862 139 1HB LEU 19 2HB LEU 19 -11.454 11.461 -3.295 140 2HB LEU 19 3HB LEU 19 -10.901 10.765 -4.817 141 HG LEU 19 HG LEU 19 -10.592 9.709 -2.032 142 1HD1 LEU 19 1HD1 LEU 19 -11.438 8.451 -4.638 143 2HD1 LEU 19 2HD1 LEU 19 -12.524 9.027 -3.374 144 3HD1 LEU 19 3HD1 LEU 19 -11.439 7.675 -3.054 145 1HD2 LEU 19 1HD2 LEU 19 -9.019 8.027 -2.946 146 2HD2 LEU 19 2HD2 LEU 19 -8.348 9.657 -2.898 147 3HD2 LEU 19 3HD2 LEU 19 -8.912 8.979 -4.426 148 H VAL 20 H VAL 20 -9.700 12.739 -6.116 149 HA VAL 20 HA VAL 20 -8.055 10.930 -7.525 150 HB VAL 20 HB VAL 20 -8.960 13.693 -8.348 151 1HG1 VAL 20 1HG1 VAL 20 -8.687 12.558 -10.670 152 2HG1 VAL 20 2HG1 VAL 20 -7.268 13.210 -9.848 153 3HG1 VAL 20 3HG1 VAL 20 -7.591 11.476 -9.812 154 1HG2 VAL 20 1HG2 VAL 20 -10.859 12.718 -9.295 155 2HG2 VAL 20 2HG2 VAL 20 -10.183 11.091 -9.208 156 3HG2 VAL 20 3HG2 VAL 20 -10.705 11.910 -7.735 157 H GLN 21 H GLN 21 -7.500 14.273 -6.451 158 HA GLN 21 HA GLN 21 -4.845 14.402 -7.466 159 1HB GLN 21 2HB GLN 21 -4.710 16.522 -6.455 160 2HB GLN 21 3HB GLN 21 -6.401 16.352 -6.909 161 1HG GLN 21 2HG GLN 21 -6.861 15.617 -4.559 162 2HG GLN 21 3HG GLN 21 -5.201 16.063 -4.169 163 1HE2 GLN 21 1HE2 GLN 21 -6.131 17.552 -2.658 164 2HE2 GLN 21 2HE2 GLN 21 -6.713 19.085 -3.201 165 H ALA 22 H ALA 22 -6.262 13.438 -4.412 166 HA ALA 22 HA ALA 22 -3.802 13.371 -2.959 167 1HB ALA 22 1HB ALA 22 -5.727 13.620 -1.644 168 2HB ALA 22 2HB ALA 22 -6.545 12.271 -2.433 169 3HB ALA 22 3HB ALA 22 -5.190 11.967 -1.346 170 H LEU 23 H LEU 23 -5.888 10.824 -4.328 171 HA LEU 23 HA LEU 23 -4.172 8.681 -3.715 172 1HB LEU 23 2HB LEU 23 -5.597 7.350 -4.956 173 2HB LEU 23 3HB LEU 23 -6.641 8.673 -4.441 174 HG LEU 23 HG LEU 23 -5.994 9.667 -6.790 175 1HD1 LEU 23 1HD1 LEU 23 -4.707 8.323 -8.006 176 2HD1 LEU 23 2HD1 LEU 23 -6.105 7.258 -8.151 177 3HD1 LEU 23 3HD1 LEU 23 -4.915 6.982 -6.879 178 1HD2 LEU 23 1HD2 LEU 23 -8.024 7.585 -6.094 179 2HD2 LEU 23 2HD2 LEU 23 -7.925 8.215 -7.738 180 3HD2 LEU 23 3HD2 LEU 23 -8.244 9.309 -6.392 181 H ALA 24 H ALA 24 -4.422 10.773 -6.543 182 HA ALA 24 HA ALA 24 -2.565 9.331 -8.142 183 1HB ALA 24 1HB ALA 24 -2.636 11.205 -9.634 184 2HB ALA 24 2HB ALA 24 -4.267 10.915 -9.029 185 3HB ALA 24 3HB ALA 24 -3.308 12.242 -8.375 186 H GLY 25 H GLY 25 -2.267 12.349 -6.261 187 1HA GLY 25 2HA GLY 25 0.479 12.733 -6.742 188 2HA GLY 25 3HA GLY 25 -0.427 13.420 -5.403 189 H VAL 26 H VAL 26 -1.203 11.084 -4.091 190 HA VAL 26 HA VAL 26 1.086 10.544 -2.542 191 HB VAL 26 HB VAL 26 -1.604 9.197 -2.685 192 1HG1 VAL 26 1HG1 VAL 26 -0.345 7.419 -1.923 193 2HG1 VAL 26 2HG1 VAL 26 0.818 8.459 -1.098 194 3HG1 VAL 26 3HG1 VAL 26 -0.790 8.218 -0.415 195 1HG2 VAL 26 1HG2 VAL 26 -2.037 10.320 -0.621 196 2HG2 VAL 26 2HG2 VAL 26 -0.362 10.857 -0.498 197 3HG2 VAL 26 3HG2 VAL 26 -1.407 11.512 -1.758 198 H THR 27 H THR 27 -0.584 8.643 -5.025 199 HA THR 27 HA THR 27 0.978 6.318 -4.809 200 HB THR 27 HB THR 27 -0.516 7.431 -7.189 201 HG1 THR 27 HG1 THR 27 -2.043 5.813 -6.523 202 1HG2 THR 27 1HG2 THR 27 1.085 5.920 -8.081 203 2HG2 THR 27 2HG2 THR 27 -0.432 5.027 -7.976 204 3HG2 THR 27 3HG2 THR 27 0.829 4.768 -6.772 205 H ALA 28 H ALA 28 1.227 9.009 -7.138 206 HA ALA 28 HA ALA 28 3.531 8.123 -8.444 207 1HB ALA 28 1HB ALA 28 1.873 10.413 -8.504 208 2HB ALA 28 2HB ALA 28 3.542 10.968 -8.366 209 3HB ALA 28 3HB ALA 28 3.075 9.900 -9.689 210 H SER 29 H SER 29 3.141 10.062 -5.525 211 HA SER 29 HA SER 29 5.918 10.674 -5.255 212 1HB SER 29 2HB SER 29 5.340 11.748 -3.249 213 2HB SER 29 3HB SER 29 3.887 11.915 -4.234 214 HG SER 29 HG SER 29 3.317 9.804 -3.101 215 H ASP 30 H ASP 30 3.818 8.106 -4.152 216 HA ASP 30 HA ASP 30 5.752 7.013 -2.316 217 1HB ASP 30 2HB ASP 30 3.255 6.796 -2.043 218 2HB ASP 30 3HB ASP 30 3.269 5.675 -3.402 219 H PHE 31 H PHE 31 5.168 6.832 -5.667 220 HA PHE 31 HA PHE 31 6.819 4.402 -5.880 221 1HB PHE 31 2HB PHE 31 4.548 5.448 -7.497 222 2HB PHE 31 3HB PHE 31 5.824 4.584 -8.350 223 HD1 PHE 31 HD1 PHE 31 4.048 4.120 -5.097 224 HD2 PHE 31 HD2 PHE 31 5.251 2.419 -8.808 225 HE1 PHE 31 HE1 PHE 31 3.028 1.979 -4.443 226 HE2 PHE 31 HE2 PHE 31 4.232 0.276 -8.160 227 HZ PHE 31 HZ PHE 31 3.118 0.054 -5.975 228 HA PRO 32 HA PRO 32 9.423 7.950 -7.353 229 1HB PRO 32 2HB PRO 32 11.679 7.119 -6.090 230 2HB PRO 32 3HB PRO 32 10.457 8.129 -5.309 231 1HG PRO 32 2HG PRO 32 10.876 5.171 -5.114 232 2HG PRO 32 3HG PRO 32 10.507 6.336 -3.829 233 1HD PRO 32 2HD PRO 32 8.619 4.741 -4.934 234 2HD PRO 32 3HD PRO 32 8.258 6.372 -4.333 235 H ASP 33 H ASP 33 9.561 4.508 -7.483 236 HA ASP 33 HA ASP 33 11.864 4.190 -9.089 237 1HB ASP 33 2HB ASP 33 9.428 2.400 -9.057 238 2HB ASP 33 3HB ASP 33 11.072 1.955 -9.506 239 H LEU 34 H LEU 34 8.845 5.537 -9.770 240 HA LEU 34 HA LEU 34 7.911 6.365 -11.672 241 1HB LEU 34 2HB LEU 34 10.375 5.591 -13.189 242 2HB LEU 34 3HB LEU 34 9.279 6.941 -13.475 243 HG LEU 34 HG LEU 34 11.313 6.700 -11.260 244 1HD1 LEU 34 1HD1 LEU 34 11.991 7.271 -13.681 245 2HD1 LEU 34 2HD1 LEU 34 12.556 8.311 -12.374 246 3HD1 LEU 34 3HD1 LEU 34 11.195 8.815 -13.375 247 1HD2 LEU 34 1HD2 LEU 34 10.620 9.041 -10.739 248 2HD2 LEU 34 2HD2 LEU 34 9.402 7.822 -10.364 249 3HD2 LEU 34 3HD2 LEU 34 9.239 8.815 -11.813 250 H ASP 35 H ASP 35 8.078 3.377 -10.984 251 HA ASP 35 HA ASP 35 7.676 2.144 -13.582 252 1HB ASP 35 2HB ASP 35 7.652 1.073 -10.761 253 2HB ASP 35 3HB ASP 35 7.224 0.084 -12.155 254 H ILE 36 H ILE 36 5.826 4.065 -11.766 255 HA ILE 36 HA ILE 36 3.345 2.547 -12.169 256 HB ILE 36 HB ILE 36 3.619 3.399 -9.917 257 1HG1 ILE 36 2HG1 ILE 36 1.379 3.615 -11.384 258 2HG1 ILE 36 3HG1 ILE 36 1.455 4.084 -9.689 259 1HG2 ILE 36 1HG2 ILE 36 3.621 5.885 -9.548 260 2HG2 ILE 36 2HG2 ILE 36 5.106 5.223 -10.228 261 3HG2 ILE 36 3HG2 ILE 36 3.960 6.066 -11.269 262 1HD1 ILE 36 1HD1 ILE 36 2.018 6.063 -11.858 263 2HD1 ILE 36 2HD1 ILE 36 0.367 5.688 -11.363 264 3HD1 ILE 36 3HD1 ILE 36 1.510 6.347 -10.193 265 H LYS 37 H LYS 37 1.738 3.257 -13.490 266 HA LYS 37 HA LYS 37 2.294 5.692 -15.055 267 1HB LYS 37 2HB LYS 37 0.722 3.287 -15.985 268 2HB LYS 37 3HB LYS 37 1.238 4.661 -16.954 269 1HG LYS 37 2HG LYS 37 3.035 2.599 -15.694 270 2HG LYS 37 3HG LYS 37 2.619 2.724 -17.405 271 1HD LYS 37 2HD LYS 37 4.046 4.862 -15.824 272 2HD LYS 37 3HD LYS 37 4.847 3.673 -16.854 273 1HE LYS 37 2HE LYS 37 2.784 5.674 -17.773 274 2HE LYS 37 3HE LYS 37 4.527 5.841 -17.981 275 1HZ LYS 37 1HZ LYS 37 4.340 3.589 -19.163 276 2HZ LYS 37 2HZ LYS 37 3.823 4.972 -19.989 277 3HZ LYS 37 3HZ LYS 37 2.688 3.937 -19.280 278 H TYR 38 H TYR 38 0.985 7.279 -14.438 279 HA TYR 38 HA TYR 38 -1.832 6.624 -13.872 280 1HB TYR 38 2HB TYR 38 -0.357 7.422 -11.916 281 2HB TYR 38 3HB TYR 38 -0.405 9.000 -12.695 282 HD1 TYR 38 HD1 TYR 38 -2.336 6.482 -10.873 283 HD2 TYR 38 HD2 TYR 38 -2.470 10.286 -12.773 284 HE1 TYR 38 HE1 TYR 38 -4.489 6.947 -9.778 285 HE2 TYR 38 HE2 TYR 38 -4.622 10.762 -11.683 286 HH TYR 38 HH TYR 38 -6.319 8.319 -9.821 287 H ASN 39 H ASN 39 -3.413 8.080 -14.590 288 HA ASN 39 HA ASN 39 -2.683 10.425 -16.092 289 1HB ASN 39 2HB ASN 39 -3.485 7.886 -17.450 290 2HB ASN 39 3HB ASN 39 -4.051 9.414 -18.118 291 1HD2 ASN 39 1HD2 ASN 39 -1.915 7.224 -18.734 292 2HD2 ASN 39 2HD2 ASN 39 -0.555 8.165 -19.232 293 H ILE 40 H ILE 40 -4.261 11.893 -15.948 294 HA ILE 40 HA ILE 40 -6.943 10.955 -15.161 295 HB ILE 40 HB ILE 40 -6.504 13.729 -14.521 296 1HG1 ILE 40 2HG1 ILE 40 -4.525 11.735 -13.406 297 2HG1 ILE 40 3HG1 ILE 40 -4.165 13.211 -14.296 298 1HG2 ILE 40 1HG2 ILE 40 -8.211 12.087 -13.629 299 2HG2 ILE 40 2HG2 ILE 40 -6.915 11.428 -12.632 300 3HG2 ILE 40 3HG2 ILE 40 -7.412 13.108 -12.433 301 1HD1 ILE 40 1HD1 ILE 40 -3.714 13.572 -11.980 302 2HD1 ILE 40 2HD1 ILE 40 -5.144 14.506 -12.422 303 3HD1 ILE 40 3HD1 ILE 40 -5.318 12.995 -11.528 304 H PHE 41 H PHE 41 -8.457 11.279 -16.639 305 HA PHE 41 HA PHE 41 -8.255 13.641 -18.380 306 1HB PHE 41 2HB PHE 41 -9.435 12.046 -20.105 307 2HB PHE 41 3HB PHE 41 -7.683 12.020 -19.925 308 HD1 PHE 41 HD1 PHE 41 -10.706 10.384 -18.473 309 HD2 PHE 41 HD2 PHE 41 -6.659 9.978 -19.728 310 HE1 PHE 41 HE1 PHE 41 -10.798 7.975 -17.981 311 HE2 PHE 41 HE2 PHE 41 -6.745 7.569 -19.239 312 HZ PHE 41 HZ PHE 41 -8.817 6.563 -18.366 313 H LEU 42 H LEU 42 -10.226 14.547 -19.063 314 HA LEU 42 HA LEU 42 -12.493 13.841 -17.339 315 1HB LEU 42 2HB LEU 42 -12.121 16.070 -16.987 316 2HB LEU 42 3HB LEU 42 -11.546 16.344 -18.630 317 HG LEU 42 HG LEU 42 -13.890 16.207 -19.425 318 1HD1 LEU 42 1HD1 LEU 42 -14.311 15.367 -16.686 319 2HD1 LEU 42 2HD1 LEU 42 -15.369 15.223 -18.089 320 3HD1 LEU 42 3HD1 LEU 42 -15.365 16.707 -17.137 321 1HD2 LEU 42 1HD2 LEU 42 -13.266 18.262 -17.309 322 2HD2 LEU 42 2HD2 LEU 42 -14.598 18.384 -18.458 323 3HD2 LEU 42 3HD2 LEU 42 -12.932 18.374 -19.037 324 H VAL 43 H VAL 43 -14.210 12.860 -18.168 325 HA VAL 43 HA VAL 43 -14.499 12.761 -21.090 326 HB VAL 43 HB VAL 43 -15.443 10.685 -20.922 327 1HG1 VAL 43 1HG1 VAL 43 -13.984 9.405 -19.735 328 2HG1 VAL 43 2HG1 VAL 43 -13.147 10.953 -19.605 329 3HG1 VAL 43 3HG1 VAL 43 -14.148 10.376 -18.272 330 1HG2 VAL 43 1HG2 VAL 43 -17.367 11.189 -19.641 331 2HG2 VAL 43 2HG2 VAL 43 -16.559 9.862 -18.806 332 3HG2 VAL 43 3HG2 VAL 43 -16.411 11.510 -18.194 333 H ASP 44 H ASP 44 -16.215 13.626 -22.087 334 HA ASP 44 HA ASP 44 -18.541 14.414 -20.476 335 1HB ASP 44 2HB ASP 44 -18.594 16.515 -21.994 336 2HB ASP 44 3HB ASP 44 -17.468 16.483 -20.639 337 H LEU 45 H LEU 45 -20.002 13.013 -21.282 338 HA LEU 45 HA LEU 45 -20.545 13.171 -24.166 339 1HB LEU 45 2HB LEU 45 -19.819 10.833 -22.590 340 2HB LEU 45 3HB LEU 45 -21.335 10.623 -23.464 341 HG LEU 45 HG LEU 45 -20.259 10.947 -25.565 342 1HD1 LEU 45 1HD1 LEU 45 -18.089 12.064 -23.892 343 2HD1 LEU 45 2HD1 LEU 45 -18.691 12.579 -25.467 344 3HD1 LEU 45 3HD1 LEU 45 -17.614 11.188 -25.348 345 1HD2 LEU 45 1HD2 LEU 45 -18.107 9.298 -24.785 346 2HD2 LEU 45 2HD2 LEU 45 -19.655 8.815 -25.479 347 3HD2 LEU 45 3HD2 LEU 45 -19.464 8.912 -23.727 348 H TYR 46 H TYR 46 -22.733 12.775 -24.769 349 HA TYR 46 HA TYR 46 -24.982 13.050 -24.567 350 1HB TYR 46 2HB TYR 46 -24.351 11.581 -22.017 351 2HB TYR 46 3HB TYR 46 -25.996 12.063 -22.416 352 HD1 TYR 46 HD1 TYR 46 -27.275 10.350 -23.258 353 HD2 TYR 46 HD2 TYR 46 -23.142 10.485 -24.257 354 HE1 TYR 46 HE1 TYR 46 -27.544 8.318 -24.619 355 HE2 TYR 46 HE2 TYR 46 -23.399 8.455 -25.621 356 HH TYR 46 HH TYR 46 -25.120 7.214 -26.770 357 H GLY 47 H GLY 47 -23.250 15.215 -23.767 358 1HA GLY 47 2HA GLY 47 -23.509 17.332 -22.909 359 2HA GLY 47 3HA GLY 47 -25.182 16.915 -22.571 360 H GLN 48 H GLN 48 -23.067 14.702 -21.178 361 HA GLN 48 HA GLN 48 -23.347 16.041 -18.572 362 1HB GLN 48 2HB GLN 48 -22.885 13.095 -19.009 363 2HB GLN 48 3HB GLN 48 -23.419 13.899 -17.539 364 1HG GLN 48 2HG GLN 48 -25.495 14.566 -18.808 365 2HG GLN 48 3HG GLN 48 -24.968 13.455 -20.071 366 1HE2 GLN 48 1HE2 GLN 48 -26.977 13.717 -17.556 367 2HE2 GLN 48 2HE2 GLN 48 -27.075 12.067 -17.055 368 H LYS 49 H LYS 49 -21.604 16.273 -17.234 369 HA LYS 49 HA LYS 49 -18.987 15.706 -18.444 370 1HB LYS 49 2HB LYS 49 -19.705 17.651 -16.242 371 2HB LYS 49 3HB LYS 49 -18.109 17.448 -16.952 372 1HG LYS 49 2HG LYS 49 -18.797 19.243 -18.147 373 2HG LYS 49 3HG LYS 49 -19.454 17.971 -19.179 374 1HD LYS 49 2HD LYS 49 -21.383 19.108 -18.969 375 2HD LYS 49 3HD LYS 49 -21.480 18.312 -17.396 376 1HE LYS 49 2HE LYS 49 -21.869 20.615 -17.009 377 2HE LYS 49 3HE LYS 49 -20.229 20.287 -16.452 378 1HZ LYS 49 1HZ LYS 49 -20.823 22.322 -18.020 379 2HZ LYS 49 2HZ LYS 49 -20.528 21.163 -19.215 380 3HZ LYS 49 3HZ LYS 49 -19.326 21.537 -18.085 381 H TYR 50 H TYR 50 -17.643 14.281 -17.540 382 HA TYR 50 HA TYR 50 -17.931 13.593 -14.717 383 1HB TYR 50 2HB TYR 50 -17.943 11.499 -16.900 384 2HB TYR 50 3HB TYR 50 -17.976 11.195 -15.167 385 HD1 TYR 50 HD1 TYR 50 -19.948 11.293 -18.006 386 HD2 TYR 50 HD2 TYR 50 -19.980 12.547 -13.941 387 HE1 TYR 50 HE1 TYR 50 -22.407 11.352 -18.050 388 HE2 TYR 50 HE2 TYR 50 -22.439 12.609 -13.973 389 HH TYR 50 HH TYR 50 -24.260 12.672 -15.405 390 H PHE 51 H PHE 51 -16.064 12.774 -13.768 391 HA PHE 51 HA PHE 51 -13.638 13.101 -15.393 392 1HB PHE 51 2HB PHE 51 -14.160 13.360 -12.438 393 2HB PHE 51 3HB PHE 51 -12.527 13.216 -13.080 394 HD1 PHE 51 HD1 PHE 51 -15.627 15.240 -13.458 395 HD2 PHE 51 HD2 PHE 51 -11.380 15.117 -13.710 396 HE1 PHE 51 HE1 PHE 51 -15.585 17.665 -13.877 397 HE2 PHE 51 HE2 PHE 51 -11.331 17.541 -14.128 398 HZ PHE 51 HZ PHE 51 -13.435 18.818 -14.211 399 H ARG 52 H ARG 52 -12.033 11.548 -15.421 400 HA ARG 52 HA ARG 52 -12.434 9.077 -13.929 401 1HB ARG 52 2HB ARG 52 -12.777 9.366 -16.857 402 2HB ARG 52 3HB ARG 52 -11.842 7.977 -16.318 403 1HG ARG 52 2HG ARG 52 -13.819 6.959 -16.157 404 2HG ARG 52 3HG ARG 52 -13.999 7.872 -14.657 405 1HD ARG 52 2HD ARG 52 -15.881 8.661 -15.575 406 2HD ARG 52 3HD ARG 52 -14.813 9.681 -16.539 407 HE ARG 52 HE ARG 52 -15.317 8.416 -18.385 408 1HH1 ARG 52 2HH1 ARG 52 -16.395 6.762 -15.517 409 2HH1 ARG 52 1HH1 ARG 52 -17.268 5.546 -16.389 410 1HH2 ARG 52 2HH2 ARG 52 -16.462 6.820 -19.544 411 2HH2 ARG 52 1HH2 ARG 52 -17.305 5.579 -18.679 412 H ILE 53 H ILE 53 -10.561 7.850 -13.664 413 HA ILE 53 HA ILE 53 -8.087 9.013 -14.753 414 HB ILE 53 HB ILE 53 -7.012 9.088 -12.729 415 1HG1 ILE 53 2HG1 ILE 53 -8.165 7.826 -10.693 416 2HG1 ILE 53 3HG1 ILE 53 -8.849 6.855 -11.992 417 1HG2 ILE 53 1HG2 ILE 53 -9.725 9.416 -11.533 418 2HG2 ILE 53 2HG2 ILE 53 -8.282 10.409 -11.338 419 3HG2 ILE 53 3HG2 ILE 53 -9.213 10.492 -12.833 420 1HD1 ILE 53 1HD1 ILE 53 -6.961 5.729 -12.221 421 2HD1 ILE 53 2HD1 ILE 53 -6.024 7.215 -12.374 422 3HD1 ILE 53 3HD1 ILE 53 -6.367 6.550 -10.778 423 H LEU 54 H LEU 54 -6.550 7.587 -15.407 424 HA LEU 54 HA LEU 54 -7.178 4.726 -15.082 425 1HB LEU 54 2HB LEU 54 -7.160 6.018 -17.414 426 2HB LEU 54 3HB LEU 54 -5.442 5.641 -17.305 427 HG LEU 54 HG LEU 54 -7.743 3.697 -17.399 428 1HD1 LEU 54 1HD1 LEU 54 -7.378 3.987 -19.588 429 2HD1 LEU 54 2HD1 LEU 54 -5.942 2.999 -19.318 430 3HD1 LEU 54 3HD1 LEU 54 -5.813 4.758 -19.328 431 1HD2 LEU 54 1HD2 LEU 54 -5.641 2.092 -17.523 432 2HD2 LEU 54 2HD2 LEU 54 -6.386 2.533 -15.986 433 3HD2 LEU 54 3HD2 LEU 54 -4.924 3.359 -16.528 434 H PHE 55 H PHE 55 -5.703 3.475 -14.131 435 HA PHE 55 HA PHE 55 -2.948 4.486 -13.899 436 1HB PHE 55 2HB PHE 55 -3.591 4.815 -11.719 437 2HB PHE 55 3HB PHE 55 -4.809 3.545 -11.775 438 HD1 PHE 55 HD1 PHE 55 -1.152 3.476 -12.479 439 HD2 PHE 55 HD2 PHE 55 -4.361 2.079 -10.057 440 HE1 PHE 55 HE1 PHE 55 0.392 1.953 -11.319 441 HE2 PHE 55 HE2 PHE 55 -2.821 0.554 -8.892 442 HZ PHE 55 HZ PHE 55 -0.441 0.490 -9.522 443 H GLN 56 H GLN 56 -1.547 3.146 -14.804 444 HA GLN 56 HA GLN 56 -2.191 0.271 -14.868 445 1HB GLN 56 2HB GLN 56 -0.440 1.686 -16.870 446 2HB GLN 56 3HB GLN 56 -1.144 0.079 -16.991 447 1HG GLN 56 2HG GLN 56 -2.724 1.027 -18.226 448 2HG GLN 56 3HG GLN 56 -3.349 1.686 -16.715 449 1HE2 GLN 56 1HE2 GLN 56 -2.983 3.837 -16.214 450 2HE2 GLN 56 2HE2 GLN 56 -2.437 4.982 -17.387 451 H SER 57 H SER 57 -0.477 -1.209 -14.605 452 HA SER 57 HA SER 57 1.673 -0.177 -12.938 453 1HB SER 57 2HB SER 57 0.667 -2.958 -13.539 454 2HB SER 57 3HB SER 57 2.152 -2.673 -12.632 455 HG SER 57 HG SER 57 -0.147 -1.310 -11.830 456 H LYS 58 H LYS 58 3.789 -1.649 -13.246 457 HA LYS 58 HA LYS 58 4.919 -0.791 -15.714 458 1HB LYS 58 2HB LYS 58 6.224 -0.933 -13.630 459 2HB LYS 58 3HB LYS 58 6.036 -2.682 -13.634 460 1HG LYS 58 2HG LYS 58 8.079 -2.574 -14.587 461 2HG LYS 58 3HG LYS 58 7.114 -2.384 -16.053 462 1HD LYS 58 2HD LYS 58 8.084 -0.048 -14.421 463 2HD LYS 58 3HD LYS 58 9.020 -0.744 -15.746 464 1HE LYS 58 2HE LYS 58 6.882 -0.409 -17.142 465 2HE LYS 58 3HE LYS 58 6.374 0.667 -15.841 466 1HZ LYS 58 1HZ LYS 58 7.732 1.525 -17.915 467 2HZ LYS 58 2HZ LYS 58 9.045 1.069 -16.952 468 3HZ LYS 58 3HZ LYS 58 7.930 2.205 -16.379 469 H LYS 59 H LYS 59 4.263 -4.026 -14.371 470 HA LYS 59 HA LYS 59 4.780 -5.249 -16.954 471 1HB LYS 59 2HB LYS 59 5.214 -6.129 -14.435 472 2HB LYS 59 3HB LYS 59 3.653 -6.874 -14.752 473 1HG LYS 59 2HG LYS 59 4.689 -8.502 -15.829 474 2HG LYS 59 3HG LYS 59 5.229 -7.330 -17.034 475 1HD LYS 59 2HD LYS 59 6.672 -7.986 -14.465 476 2HD LYS 59 3HD LYS 59 7.099 -8.604 -16.063 477 1HE LYS 59 2HE LYS 59 8.322 -6.790 -16.432 478 2HE LYS 59 3HE LYS 59 6.884 -5.785 -16.256 479 1HZ LYS 59 1HZ LYS 59 9.017 -5.601 -14.676 480 2HZ LYS 59 2HZ LYS 59 8.092 -6.698 -13.781 481 3HZ LYS 59 3HZ LYS 59 7.453 -5.184 -14.181 482 H LEU 60 H LEU 60 2.075 -4.386 -14.923 483 HA LEU 60 HA LEU 60 -0.184 -4.886 -15.116 484 1HB LEU 60 2HB LEU 60 -0.981 -3.939 -17.378 485 2HB LEU 60 3HB LEU 60 -0.187 -2.865 -16.228 486 HG LEU 60 HG LEU 60 1.952 -3.478 -17.635 487 1HD1 LEU 60 1HD1 LEU 60 -0.300 -4.431 -19.280 488 2HD1 LEU 60 2HD1 LEU 60 1.393 -4.923 -19.272 489 3HD1 LEU 60 3HD1 LEU 60 0.908 -3.449 -20.110 490 1HD2 LEU 60 1HD2 LEU 60 1.794 -1.320 -18.126 491 2HD2 LEU 60 2HD2 LEU 60 0.122 -1.348 -17.566 492 3HD2 LEU 60 3HD2 LEU 60 0.487 -1.635 -19.268 493 H SER 61 H SER 61 0.947 -7.282 -15.381 494 HA SER 61 HA SER 61 -0.097 -8.467 -17.855 495 1HB SER 61 2HB SER 61 1.265 -10.416 -17.318 496 2HB SER 61 3HB SER 61 2.260 -8.962 -17.255 497 HG SER 61 HG SER 61 1.862 -10.756 -15.346 498 H GLU 62 H GLU 62 -1.466 -10.287 -17.797 499 HA GLU 62 HA GLU 62 -3.421 -10.219 -15.731 500 1HB GLU 62 2HB GLU 62 -3.083 -12.335 -17.860 501 2HB GLU 62 3HB GLU 62 -4.549 -11.950 -16.969 502 1HG GLU 62 2HG GLU 62 -4.377 -9.635 -18.017 503 2HG GLU 62 3HG GLU 62 -3.189 -10.349 -19.106 504 H LEU 63 H LEU 63 -0.530 -12.020 -16.231 505 HA LEU 63 HA LEU 63 -1.011 -14.374 -14.860 506 1HB LEU 63 2HB LEU 63 1.536 -12.776 -14.706 507 2HB LEU 63 3HB LEU 63 1.354 -14.516 -14.496 508 HG LEU 63 HG LEU 63 1.029 -12.968 -17.065 509 1HD1 LEU 63 1HD1 LEU 63 3.042 -15.100 -16.409 510 2HD1 LEU 63 2HD1 LEU 63 3.355 -13.385 -16.146 511 3HD1 LEU 63 3HD1 LEU 63 3.030 -13.982 -17.773 512 1HD2 LEU 63 1HD2 LEU 63 0.436 -15.806 -16.332 513 2HD2 LEU 63 2HD2 LEU 63 0.968 -15.401 -17.964 514 3HD2 LEU 63 3HD2 LEU 63 -0.505 -14.682 -17.312 515 H HIS 64 H HIS 64 0.146 -14.872 -12.671 516 HA HIS 64 HA HIS 64 0.084 -14.697 -10.404 517 1HB HIS 64 2HB HIS 64 0.605 -11.894 -11.286 518 2HB HIS 64 3HB HIS 64 0.208 -12.173 -9.593 519 HD1 HIS 64 HD1 HIS 64 2.013 -13.148 -8.118 520 HD2 HIS 64 HD2 HIS 64 3.042 -13.131 -12.143 521 HE1 HIS 64 HE1 HIS 64 4.449 -13.765 -8.192 522 HA PRO 65 HA PRO 65 -4.454 -13.905 -10.495 523 1HB PRO 65 2HB PRO 65 -5.099 -16.223 -9.236 524 2HB PRO 65 3HB PRO 65 -4.847 -16.116 -10.983 525 1HG PRO 65 2HG PRO 65 -2.966 -17.056 -8.852 526 2HG PRO 65 3HG PRO 65 -3.289 -17.757 -10.448 527 1HD PRO 65 2HD PRO 65 -1.117 -16.220 -9.944 528 2HD PRO 65 3HD PRO 65 -1.921 -16.248 -11.527 529 H GLU 66 H GLU 66 -2.188 -14.763 -7.982 530 HA GLU 66 HA GLU 66 -3.960 -14.207 -5.799 531 1HB GLU 66 2HB GLU 66 -1.255 -15.177 -6.148 532 2HB GLU 66 3HB GLU 66 -1.329 -13.971 -4.871 533 1HG GLU 66 2HG GLU 66 -2.921 -15.233 -3.650 534 2HG GLU 66 3HG GLU 66 -3.173 -16.339 -5.000 535 H GLU 67 H GLU 67 -1.722 -12.376 -7.740 536 HA GLU 67 HA GLU 67 -1.560 -10.135 -5.965 537 1HB GLU 67 2HB GLU 67 -0.831 -10.507 -8.869 538 2HB GLU 67 3HB GLU 67 -0.608 -8.985 -8.017 539 1HG GLU 67 2HG GLU 67 0.554 -11.487 -6.888 540 2HG GLU 67 3HG GLU 67 1.357 -10.675 -8.231 541 H ARG 68 H ARG 68 -3.647 -11.107 -8.587 542 HA ARG 68 HA ARG 68 -4.803 -8.714 -9.330 543 1HB ARG 68 2HB ARG 68 -5.941 -11.493 -9.110 544 2HB ARG 68 3HB ARG 68 -6.902 -10.148 -9.708 545 1HG ARG 68 2HG ARG 68 -4.813 -9.829 -11.296 546 2HG ARG 68 3HG ARG 68 -4.610 -11.550 -10.960 547 1HD ARG 68 2HD ARG 68 -6.647 -12.108 -11.929 548 2HD ARG 68 3HD ARG 68 -7.275 -10.467 -11.782 549 HE ARG 68 HE ARG 68 -5.041 -10.506 -13.511 550 1HH1 ARG 68 2HH1 ARG 68 -8.395 -11.426 -13.362 551 2HH1 ARG 68 1HH1 ARG 68 -8.646 -11.281 -15.070 552 1HH2 ARG 68 2HH2 ARG 68 -5.359 -10.311 -15.762 553 2HH2 ARG 68 1HH2 ARG 68 -6.918 -10.647 -16.434 554 H LYS 69 H LYS 69 -5.982 -10.927 -6.792 555 HA LYS 69 HA LYS 69 -7.996 -9.189 -5.850 556 1HB LYS 69 2HB LYS 69 -8.028 -10.667 -3.855 557 2HB LYS 69 3HB LYS 69 -8.104 -11.553 -5.373 558 1HG LYS 69 2HG LYS 69 -5.559 -11.796 -5.119 559 2HG LYS 69 3HG LYS 69 -5.830 -11.325 -3.440 560 1HD LYS 69 2HD LYS 69 -5.858 -13.695 -3.486 561 2HD LYS 69 3HD LYS 69 -7.539 -13.181 -3.323 562 1HE LYS 69 2HE LYS 69 -8.078 -13.808 -5.470 563 2HE LYS 69 3HE LYS 69 -6.421 -13.642 -6.048 564 1HZ LYS 69 1HZ LYS 69 -6.341 -15.847 -5.880 565 2HZ LYS 69 2HZ LYS 69 -7.745 -15.932 -4.940 566 3HZ LYS 69 3HZ LYS 69 -6.252 -15.626 -4.205 567 H LYS 70 H LYS 70 -4.597 -9.499 -5.123 568 HA LYS 70 HA LYS 70 -4.539 -8.074 -2.698 569 1HB LYS 70 2HB LYS 70 -2.671 -9.459 -3.597 570 2HB LYS 70 3HB LYS 70 -2.372 -8.213 -4.801 571 1HG LYS 70 2HG LYS 70 -0.811 -8.003 -2.972 572 2HG LYS 70 3HG LYS 70 -1.893 -6.609 -3.008 573 1HD LYS 70 2HD LYS 70 -1.578 -7.388 -0.724 574 2HD LYS 70 3HD LYS 70 -3.250 -7.629 -1.235 575 1HE LYS 70 2HE LYS 70 -2.855 -9.968 -1.612 576 2HE LYS 70 3HE LYS 70 -1.128 -9.769 -1.318 577 1HZ LYS 70 1HZ LYS 70 -1.901 -8.922 0.971 578 2HZ LYS 70 2HZ LYS 70 -1.901 -10.587 0.678 579 3HZ LYS 70 3HZ LYS 70 -3.351 -9.718 0.614 580 H VAL 71 H VAL 71 -3.924 -6.975 -6.031 581 HA VAL 71 HA VAL 71 -3.642 -4.238 -5.319 582 HB VAL 71 HB VAL 71 -3.856 -3.790 -7.744 583 1HG1 VAL 71 1HG1 VAL 71 -1.858 -5.032 -8.436 584 2HG1 VAL 71 2HG1 VAL 71 -1.689 -4.383 -6.804 585 3HG1 VAL 71 3HG1 VAL 71 -2.040 -6.095 -7.042 586 1HG2 VAL 71 1HG2 VAL 71 -4.064 -5.692 -9.294 587 2HG2 VAL 71 2HG2 VAL 71 -4.376 -6.757 -7.923 588 3HG2 VAL 71 3HG2 VAL 71 -5.513 -5.467 -8.314 589 H ARG 72 H ARG 72 -6.350 -6.235 -6.323 590 HA ARG 72 HA ARG 72 -8.194 -4.209 -6.908 591 1HB ARG 72 2HB ARG 72 -8.503 -7.046 -5.956 592 2HB ARG 72 3HB ARG 72 -9.902 -6.014 -6.221 593 1HG ARG 72 2HG ARG 72 -7.863 -6.364 -8.377 594 2HG ARG 72 3HG ARG 72 -9.102 -7.591 -8.106 595 1HD ARG 72 2HD ARG 72 -9.582 -4.669 -8.678 596 2HD ARG 72 3HD ARG 72 -9.803 -5.999 -9.814 597 HE ARG 72 HE ARG 72 -11.386 -6.630 -7.671 598 1HH1 ARG 72 2HH1 ARG 72 -11.123 -3.935 -9.860 599 2HH1 ARG 72 1HH1 ARG 72 -12.804 -3.527 -9.766 600 1HH2 ARG 72 2HH2 ARG 72 -13.601 -6.103 -7.540 601 2HH2 ARG 72 1HH2 ARG 72 -14.213 -4.760 -8.445 602 H GLU 73 H GLU 73 -7.733 -6.028 -3.875 603 HA GLU 73 HA GLU 73 -9.580 -4.425 -2.412 604 1HB GLU 73 2HB GLU 73 -8.775 -5.623 -0.450 605 2HB GLU 73 3HB GLU 73 -9.057 -6.742 -1.777 606 1HG GLU 73 2HG GLU 73 -7.054 -7.506 -1.009 607 2HG GLU 73 3HG GLU 73 -6.507 -6.361 -2.233 608 H LYS 74 H LYS 74 -6.110 -4.355 -2.922 609 HA LYS 74 HA LYS 74 -5.408 -2.554 -0.890 610 1HB LYS 74 2HB LYS 74 -3.752 -3.850 -2.142 611 2HB LYS 74 3HB LYS 74 -4.143 -2.959 -3.607 612 1HG LYS 74 2HG LYS 74 -2.172 -1.986 -2.827 613 2HG LYS 74 3HG LYS 74 -3.445 -0.870 -2.325 614 1HD LYS 74 2HD LYS 74 -2.083 -1.074 -0.434 615 2HD LYS 74 3HD LYS 74 -3.435 -2.161 -0.109 616 1HE LYS 74 2HE LYS 74 -1.485 -3.350 0.492 617 2HE LYS 74 3HE LYS 74 -2.001 -4.016 -1.057 618 1HZ LYS 74 1HZ LYS 74 -0.048 -1.823 -1.026 619 2HZ LYS 74 2HZ LYS 74 -0.247 -3.068 -2.154 620 3HZ LYS 74 3HZ LYS 74 0.475 -3.390 -0.658 621 H PHE 75 H PHE 75 -6.125 -1.932 -4.326 622 HA PHE 75 HA PHE 75 -6.018 0.900 -4.035 623 1HB PHE 75 2HB PHE 75 -6.165 0.920 -6.283 624 2HB PHE 75 3HB PHE 75 -6.002 -0.829 -6.168 625 HD1 PHE 75 HD1 PHE 75 -7.891 -2.281 -6.516 626 HD2 PHE 75 HD2 PHE 75 -8.319 1.949 -6.709 627 HE1 PHE 75 HE1 PHE 75 -10.093 -2.556 -7.577 628 HE2 PHE 75 HE2 PHE 75 -10.523 1.681 -7.770 629 HZ PHE 75 HZ PHE 75 -11.413 -0.573 -8.204 630 H ASP 76 H ASP 76 -8.576 -1.500 -3.922 631 HA ASP 76 HA ASP 76 -10.775 0.255 -4.039 632 1HB ASP 76 2HB ASP 76 -11.038 -2.145 -4.367 633 2HB ASP 76 3HB ASP 76 -10.524 -2.451 -2.710 634 H GLU 77 H GLU 77 -9.068 -1.153 -1.252 635 HA GLU 77 HA GLU 77 -10.623 0.212 0.693 636 1HB GLU 77 2HB GLU 77 -7.965 -1.199 0.791 637 2HB GLU 77 3HB GLU 77 -8.638 -0.396 2.203 638 1HG GLU 77 2HG GLU 77 -10.498 -1.853 2.264 639 2HG GLU 77 3HG GLU 77 -10.126 -2.504 0.669 640 H ASN 78 H ASN 78 -7.383 0.803 -0.646 641 HA ASN 78 HA ASN 78 -6.715 3.045 0.847 642 1HB ASN 78 2HB ASN 78 -5.180 1.814 -0.688 643 2HB ASN 78 3HB ASN 78 -6.003 2.562 -2.053 644 1HD2 ASN 78 1HD2 ASN 78 -4.981 4.232 -2.855 645 2HD2 ASN 78 2HD2 ASN 78 -3.982 5.340 -1.982 646 H SER 79 H SER 79 -8.705 2.766 -2.039 647 HA SER 79 HA SER 79 -8.962 5.598 -2.416 648 1HB SER 79 2HB SER 79 -10.507 3.269 -3.575 649 2HB SER 79 3HB SER 79 -10.733 4.948 -4.062 650 HG SER 79 HG SER 79 -8.224 3.638 -4.161 651 H ARG 80 H ARG 80 -10.911 3.049 -0.945 652 HA ARG 80 HA ARG 80 -13.118 4.787 -0.360 653 1HB ARG 80 2HB ARG 80 -14.195 2.922 0.435 654 2HB ARG 80 3HB ARG 80 -13.020 2.164 -0.631 655 1HG ARG 80 2HG ARG 80 -12.648 0.877 1.176 656 2HG ARG 80 3HG ARG 80 -11.592 2.214 1.635 657 1HD ARG 80 2HD ARG 80 -12.971 2.911 3.290 658 2HD ARG 80 3HD ARG 80 -14.430 2.468 2.405 659 HE ARG 80 HE ARG 80 -13.014 0.865 4.307 660 1HH1 ARG 80 2HH1 ARG 80 -15.062 0.773 1.493 661 2HH1 ARG 80 1HH1 ARG 80 -15.695 -0.801 1.844 662 1HH2 ARG 80 2HH2 ARG 80 -13.840 -1.208 4.780 663 2HH2 ARG 80 1HH2 ARG 80 -15.000 -1.926 3.715 664 H MET 81 H MET 81 -10.078 4.414 0.969 665 HA MET 81 HA MET 81 -10.279 4.434 3.674 666 1HB MET 81 2HB MET 81 -8.480 5.838 1.766 667 2HB MET 81 3HB MET 81 -8.416 6.331 3.453 668 1HG MET 81 2HG MET 81 -8.076 3.499 2.499 669 2HG MET 81 3HG MET 81 -6.748 4.609 2.828 670 1HE MET 81 1HE MET 81 -7.308 1.562 5.090 671 2HE MET 81 2HE MET 81 -9.032 1.886 5.272 672 3HE MET 81 3HE MET 81 -8.303 1.863 3.666 673 H GLN 82 H GLN 82 -10.769 5.877 5.296 674 HA GLN 82 HA GLN 82 -12.780 7.780 4.775 675 1HB GLN 82 2HB GLN 82 -11.062 7.492 7.246 676 2HB GLN 82 3HB GLN 82 -12.586 8.364 7.145 677 1HG GLN 82 2HG GLN 82 -13.641 6.167 6.468 678 2HG GLN 82 3HG GLN 82 -12.125 5.405 6.948 679 1HE2 GLN 82 1HE2 GLN 82 -15.110 6.623 7.978 680 2HE2 GLN 82 2HE2 GLN 82 -14.871 6.448 9.680 681 H TYR 83 H TYR 83 -12.653 10.093 5.509 682 HA TYR 83 HA TYR 83 -10.832 11.515 3.954 683 1HB TYR 83 2HB TYR 83 -13.101 12.161 5.293 684 2HB TYR 83 3HB TYR 83 -11.896 12.929 6.320 685 HD1 TYR 83 HD1 TYR 83 -10.200 14.491 5.156 686 HD2 TYR 83 HD2 TYR 83 -13.852 13.239 3.369 687 HE1 TYR 83 HE1 TYR 83 -10.088 16.397 3.606 688 HE2 TYR 83 HE2 TYR 83 -13.750 15.141 1.813 689 HH TYR 83 HH TYR 83 -12.494 16.825 1.043 690 H SER 84 H SER 84 -10.679 10.522 7.315 691 HA SER 84 HA SER 84 -8.570 12.127 8.187 692 1HB SER 84 2HB SER 84 -8.865 9.277 9.098 693 2HB SER 84 3HB SER 84 -8.411 10.699 10.037 694 HG SER 84 HG SER 84 -10.917 9.749 9.346 695 H GLU 85 H GLU 85 -8.459 8.836 6.826 696 HA GLU 85 HA GLU 85 -5.608 8.753 6.768 697 1HB GLU 85 2HB GLU 85 -7.224 6.771 6.840 698 2HB GLU 85 3HB GLU 85 -7.446 7.031 5.116 699 1HG GLU 85 2HG GLU 85 -4.663 6.816 6.086 700 2HG GLU 85 3HG GLU 85 -5.640 5.349 6.114 701 H LEU 86 H LEU 86 -8.107 9.678 4.497 702 HA LEU 86 HA LEU 86 -6.489 9.731 2.175 703 1HB LEU 86 2HB LEU 86 -9.155 10.054 2.717 704 2HB LEU 86 3HB LEU 86 -8.662 11.685 2.268 705 HG LEU 86 HG LEU 86 -9.578 10.422 0.372 706 1HD1 LEU 86 1HD1 LEU 86 -6.626 10.961 0.089 707 2HD1 LEU 86 2HD1 LEU 86 -7.892 12.187 0.030 708 3HD1 LEU 86 3HD1 LEU 86 -7.823 10.931 -1.206 709 1HD2 LEU 86 1HD2 LEU 86 -8.830 8.398 -0.318 710 2HD2 LEU 86 2HD2 LEU 86 -8.406 8.247 1.387 711 3HD2 LEU 86 3HD2 LEU 86 -7.175 8.703 0.209 712 H MET 87 H MET 87 -7.229 12.113 4.662 713 HA MET 87 HA MET 87 -5.783 14.211 3.295 714 1HB MET 87 2HB MET 87 -7.430 13.984 5.744 715 2HB MET 87 3HB MET 87 -6.166 15.206 5.775 716 1HG MET 87 2HG MET 87 -8.282 14.982 3.648 717 2HG MET 87 3HG MET 87 -8.356 16.065 5.036 718 1HE MET 87 1HE MET 87 -7.212 16.763 1.092 719 2HE MET 87 2HE MET 87 -5.743 15.871 1.487 720 3HE MET 87 3HE MET 87 -7.323 15.153 1.804 721 H THR 88 H THR 88 -5.198 11.856 5.796 722 HA THR 88 HA THR 88 -2.854 13.049 6.873 723 HB THR 88 HB THR 88 -3.862 10.203 6.948 724 HG1 THR 88 HG1 THR 88 -4.847 10.858 8.714 725 1HG2 THR 88 1HG2 THR 88 -1.462 11.437 8.298 726 2HG2 THR 88 2HG2 THR 88 -1.484 10.066 7.188 727 3HG2 THR 88 3HG2 THR 88 -2.192 9.911 8.796 728 H LYS 89 H LYS 89 -3.357 10.407 4.541 729 HA LYS 89 HA LYS 89 -0.634 9.921 4.028 730 1HB LYS 89 2HB LYS 89 -3.113 8.905 3.144 731 2HB LYS 89 3HB LYS 89 -2.245 9.407 1.699 732 1HG LYS 89 2HG LYS 89 -1.570 7.222 1.934 733 2HG LYS 89 3HG LYS 89 -0.265 8.094 2.742 734 1HD LYS 89 2HD LYS 89 -2.502 7.402 4.499 735 2HD LYS 89 3HD LYS 89 -1.671 6.005 3.812 736 1HE LYS 89 2HE LYS 89 -0.064 8.231 4.978 737 2HE LYS 89 3HE LYS 89 -0.854 7.084 6.059 738 1HZ LYS 89 1HZ LYS 89 0.900 5.787 5.733 739 2HZ LYS 89 2HZ LYS 89 1.489 6.748 4.472 740 3HZ LYS 89 3HZ LYS 89 0.355 5.535 4.151 741 H TYR 90 H TYR 90 -2.524 12.586 3.273 742 HA TYR 90 HA TYR 90 -0.882 13.297 0.944 743 1HB TYR 90 2HB TYR 90 -3.128 13.592 0.359 744 2HB TYR 90 3HB TYR 90 -3.556 14.232 1.942 745 HD1 TYR 90 HD1 TYR 90 -3.042 16.564 2.521 746 HD2 TYR 90 HD2 TYR 90 -2.234 15.018 -1.360 747 HE1 TYR 90 HE1 TYR 90 -2.808 18.857 1.663 748 HE2 TYR 90 HE2 TYR 90 -1.997 17.307 -2.228 749 HH TYR 90 HH TYR 90 -1.644 19.504 -1.557 750 H HIS 91 H HIS 91 -1.988 14.539 4.074 751 HA HIS 91 HA HIS 91 -0.188 16.808 3.910 752 1HB HIS 91 2HB HIS 91 -2.576 16.228 5.314 753 2HB HIS 91 3HB HIS 91 -1.321 16.468 6.526 754 HD1 HIS 91 HD1 HIS 91 -1.571 18.347 3.255 755 HD2 HIS 91 HD2 HIS 91 -2.003 18.994 7.336 756 HE1 HIS 91 HE1 HIS 91 -1.840 20.833 3.516 757 H ASP 92 H ASP 92 0.022 13.599 4.849 758 HA ASP 92 HA ASP 92 2.128 14.119 6.824 759 1HB ASP 92 2HB ASP 92 0.170 12.438 7.171 760 2HB ASP 92 3HB ASP 92 1.108 11.384 6.117 761 H LEU 93 H LEU 93 1.528 12.490 3.749 762 HA LEU 93 HA LEU 93 4.255 11.595 3.498 763 1HB LEU 93 2HB LEU 93 2.018 11.660 1.478 764 2HB LEU 93 3HB LEU 93 3.565 10.844 1.267 765 HG LEU 93 HG LEU 93 1.314 10.108 3.122 766 1HD1 LEU 93 1HD1 LEU 93 0.803 8.949 1.267 767 2HD1 LEU 93 2HD1 LEU 93 2.081 7.867 1.818 768 3HD1 LEU 93 3HD1 LEU 93 2.429 9.093 0.600 769 1HD2 LEU 93 1HD2 LEU 93 3.055 8.159 3.580 770 2HD2 LEU 93 2HD2 LEU 93 3.012 9.625 4.559 771 3HD2 LEU 93 3HD2 LEU 93 4.206 9.459 3.272 772 H LYS 94 H LYS 94 2.749 14.531 3.112 773 HA LYS 94 HA LYS 94 3.884 15.556 0.761 774 1HB LYS 94 2HB LYS 94 3.595 17.798 1.951 775 2HB LYS 94 3HB LYS 94 2.149 16.823 1.724 776 1HG LYS 94 2HG LYS 94 1.758 17.078 3.889 777 2HG LYS 94 3HG LYS 94 3.139 16.020 4.189 778 1HD LYS 94 2HD LYS 94 3.677 18.897 3.672 779 2HD LYS 94 3HD LYS 94 2.979 18.455 5.232 780 1HE LYS 94 2HE LYS 94 4.924 16.609 5.056 781 2HE LYS 94 3HE LYS 94 5.662 17.908 4.120 782 1HZ LYS 94 1HZ LYS 94 5.326 19.397 5.995 783 2HZ LYS 94 2HZ LYS 94 6.256 18.060 6.452 784 3HZ LYS 94 3HZ LYS 94 4.625 18.147 6.894 785 H LYS 95 H LYS 95 5.324 14.692 3.715 786 HA LYS 95 HA LYS 95 7.383 16.470 4.086 787 1HB LYS 95 2HB LYS 95 6.726 14.157 5.249 788 2HB LYS 95 3HB LYS 95 8.062 13.578 4.263 789 1HG LYS 95 2HG LYS 95 8.243 15.877 6.199 790 2HG LYS 95 3HG LYS 95 8.719 14.216 6.560 791 1HD LYS 95 2HD LYS 95 10.742 14.762 5.792 792 2HD LYS 95 3HD LYS 95 10.020 14.777 4.181 793 1HE LYS 95 2HE LYS 95 9.415 17.192 4.616 794 2HE LYS 95 3HE LYS 95 10.441 17.102 6.047 795 1HZ LYS 95 1HZ LYS 95 11.180 17.394 3.306 796 2HZ LYS 95 2HZ LYS 95 11.986 16.096 4.030 797 3HZ LYS 95 3HZ LYS 95 12.104 17.645 4.701 798 H GLN 96 H GLN 96 7.328 13.688 1.875 799 HA GLN 96 HA GLN 96 9.674 14.841 0.514 800 1HB GLN 96 2HB GLN 96 8.847 11.937 0.497 801 2HB GLN 96 3HB GLN 96 10.335 12.623 -0.141 802 1HG GLN 96 2HG GLN 96 10.747 13.390 2.290 803 2HG GLN 96 3HG GLN 96 9.527 12.185 2.700 804 1HE2 GLN 96 1HE2 GLN 96 10.464 10.421 3.418 805 2HE2 GLN 96 2HE2 GLN 96 11.880 9.677 2.765 806 H GLY 97 H GLY 97 6.848 15.470 0.061 807 1HA GLY 97 2HA GLY 97 6.401 16.095 -2.361 808 2HA GLY 97 3HA GLY 97 6.502 14.365 -2.654 809 H LYS 98 H LYS 98 4.422 16.881 -2.143 810 HA LYS 98 HA LYS 98 2.395 15.470 -0.657 811 1HB LYS 98 2HB LYS 98 1.836 17.932 -2.267 812 2HB LYS 98 3HB LYS 98 1.162 17.439 -0.719 813 1HG LYS 98 2HG LYS 98 2.543 18.972 0.132 814 2HG LYS 98 3HG LYS 98 3.789 17.741 -0.090 815 1HD LYS 98 2HD LYS 98 4.861 19.161 -1.426 816 2HD LYS 98 3HD LYS 98 3.528 19.010 -2.573 817 1HE LYS 98 2HE LYS 98 2.478 20.939 -1.788 818 2HE LYS 98 3HE LYS 98 3.369 20.917 -0.266 819 1HZ LYS 98 1HZ LYS 98 4.670 22.423 -1.236 820 2HZ LYS 98 2HZ LYS 98 4.085 22.090 -2.787 821 3HZ LYS 98 3HZ LYS 98 5.323 21.143 -2.129 822 H ILE 99 H ILE 99 2.093 17.047 -3.831 823 HA ILE 99 HA ILE 99 1.100 14.587 -5.016 824 HB ILE 99 HB ILE 99 -0.990 15.574 -5.798 825 1HG1 ILE 99 2HG1 ILE 99 -0.545 17.881 -3.917 826 2HG1 ILE 99 3HG1 ILE 99 -0.033 17.964 -5.599 827 1HG2 ILE 99 1HG2 ILE 99 -2.213 15.514 -3.711 828 2HG2 ILE 99 2HG2 ILE 99 -0.943 14.292 -3.695 829 3HG2 ILE 99 3HG2 ILE 99 -0.729 15.797 -2.803 830 1HD1 ILE 99 1HD1 ILE 99 -2.655 18.294 -4.450 831 2HD1 ILE 99 2HD1 ILE 99 -2.068 18.698 -6.064 832 3HD1 ILE 99 3HD1 ILE 99 -2.653 17.070 -5.719 833 H LYS 100 H LYS 100 0.456 15.025 -7.378 834 HA LYS 100 HA LYS 100 2.343 16.983 -8.516 835 1HB LYS 100 2HB LYS 100 1.476 14.355 -9.732 836 2HB LYS 100 3HB LYS 100 2.655 15.475 -10.401 837 1HG LYS 100 2HG LYS 100 3.210 14.526 -7.672 838 2HG LYS 100 3HG LYS 100 3.292 13.305 -8.945 839 1HD LYS 100 2HD LYS 100 5.417 14.055 -9.133 840 2HD LYS 100 3HD LYS 100 4.658 15.300 -10.127 841 1HE LYS 100 2HE LYS 100 6.167 16.316 -8.527 842 2HE LYS 100 3HE LYS 100 4.502 16.754 -8.150 843 1HZ LYS 100 1HZ LYS 100 5.880 14.496 -6.823 844 2HZ LYS 100 2HZ LYS 100 4.463 15.283 -6.341 845 3HZ LYS 100 3HZ LYS 100 5.953 16.076 -6.221 846 H ASP 101 H ASP 101 1.657 18.296 -10.152 847 HA ASP 101 HA ASP 101 -1.224 18.235 -10.720 848 1HB ASP 101 2HB ASP 101 -0.439 20.309 -9.712 849 2HB ASP 101 3HB ASP 101 0.779 20.488 -10.972 850 H ARG 102 H ARG 102 -1.238 16.735 -12.392 851 HA ARG 102 HA ARG 102 0.372 17.322 -14.764 852 1HB ARG 102 2HB ARG 102 -1.161 14.923 -13.820 853 2HB ARG 102 3HB ARG 102 -0.747 15.091 -15.521 854 1HG ARG 102 2HG ARG 102 1.537 14.942 -15.109 855 2HG ARG 102 3HG ARG 102 1.347 15.326 -13.397 856 1HD ARG 102 2HD ARG 102 0.175 12.839 -14.603 857 2HD ARG 102 3HD ARG 102 1.841 12.895 -14.028 858 HE ARG 102 HE ARG 102 -0.099 13.793 -12.100 859 1HH1 ARG 102 2HH1 ARG 102 1.605 11.053 -13.407 860 2HH1 ARG 102 1HH1 ARG 102 1.420 10.091 -11.978 861 1HH2 ARG 102 2HH2 ARG 102 -0.350 12.536 -10.213 862 2HH2 ARG 102 1HH2 ARG 102 0.307 10.935 -10.162 863 HA PRO 103 HA PRO 103 -2.935 19.036 -17.084 864 1HB PRO 103 2HB PRO 103 -2.379 18.115 -19.577 865 2HB PRO 103 3HB PRO 103 -1.421 19.368 -18.780 866 1HG PRO 103 2HG PRO 103 -0.867 16.438 -19.037 867 2HG PRO 103 3HG PRO 103 0.244 17.807 -19.225 868 1HD PRO 103 2HD PRO 103 0.133 16.320 -16.965 869 2HD PRO 103 3HD PRO 103 0.527 18.051 -16.950 870 H VAL 104 H VAL 104 -5.005 18.554 -17.568 871 HA VAL 104 HA VAL 104 -5.847 15.790 -17.405 872 HB VAL 104 HB VAL 104 -7.080 17.660 -16.272 873 1HG1 VAL 104 1HG1 VAL 104 -8.321 18.275 -18.923 874 2HG1 VAL 104 2HG1 VAL 104 -8.327 19.226 -17.437 875 3HG1 VAL 104 3HG1 VAL 104 -6.859 19.115 -18.409 876 1HG2 VAL 104 1HG2 VAL 104 -9.296 16.765 -16.766 877 2HG2 VAL 104 2HG2 VAL 104 -8.675 16.011 -18.234 878 3HG2 VAL 104 3HG2 VAL 104 -8.104 15.470 -16.656 879 H LYS 105 H LYS 105 -6.617 14.545 -19.025 880 HA LYS 105 HA LYS 105 -6.414 15.633 -21.741 881 1HB LYS 105 2HB LYS 105 -5.469 13.271 -20.613 882 2HB LYS 105 3HB LYS 105 -6.866 12.765 -21.554 883 1HG LYS 105 2HG LYS 105 -5.013 12.580 -22.987 884 2HG LYS 105 3HG LYS 105 -5.867 14.040 -23.491 885 1HD LYS 105 2HD LYS 105 -3.748 14.872 -23.435 886 2HD LYS 105 3HD LYS 105 -4.193 15.150 -21.750 887 1HE LYS 105 2HE LYS 105 -1.989 14.139 -21.892 888 2HE LYS 105 3HE LYS 105 -3.127 13.030 -21.129 889 1HZ LYS 105 1HZ LYS 105 -2.954 11.569 -22.803 890 2HZ LYS 105 2HZ LYS 105 -1.492 12.355 -23.130 891 3HZ LYS 105 3HZ LYS 105 -2.884 12.761 -24.002 892 H GLU 106 H GLU 106 -8.067 15.399 -23.245 893 HA GLU 106 HA GLU 106 -10.722 15.264 -22.107 894 1HB GLU 106 2HB GLU 106 -9.549 16.114 -24.708 895 2HB GLU 106 3HB GLU 106 -11.235 15.614 -24.699 896 1HG GLU 106 2HG GLU 106 -11.778 17.296 -23.070 897 2HG GLU 106 3HG GLU 106 -10.079 17.739 -22.910 898 H VAL 107 H VAL 107 -12.217 13.691 -22.403 899 HA VAL 107 HA VAL 107 -11.317 11.269 -23.815 900 HB VAL 107 HB VAL 107 -13.024 11.673 -21.391 901 1HG1 VAL 107 1HG1 VAL 107 -13.223 9.408 -23.351 902 2HG1 VAL 107 2HG1 VAL 107 -13.627 9.199 -21.645 903 3HG1 VAL 107 3HG1 VAL 107 -14.518 10.361 -22.628 904 1HG2 VAL 107 1HG2 VAL 107 -10.502 10.375 -22.100 905 2HG2 VAL 107 2HG2 VAL 107 -11.063 10.991 -20.545 906 3HG2 VAL 107 3HG2 VAL 107 -11.553 9.386 -21.086 907 H HIS 108 H HIS 108 -12.630 10.271 -25.295 908 HA HIS 108 HA HIS 108 -15.094 11.713 -26.027 909 1HB HIS 108 2HB HIS 108 -12.954 10.478 -27.738 910 2HB HIS 108 3HB HIS 108 -14.584 10.709 -28.363 911 HD1 HIS 108 HD1 HIS 108 -11.430 12.357 -28.206 912 HD2 HIS 108 HD2 HIS 108 -15.390 13.599 -28.022 913 HE1 HIS 108 HE1 HIS 108 -11.389 14.813 -28.744 914 H GLU 109 H GLU 109 -16.315 10.090 -27.714 915 HA GLU 109 HA GLU 109 -17.273 7.984 -26.039 916 1HB GLU 109 2HB GLU 109 -17.941 8.227 -28.955 917 2HB GLU 109 3HB GLU 109 -18.954 7.664 -27.633 918 1HG GLU 109 2HG GLU 109 -19.879 9.675 -27.633 919 2HG GLU 109 3HG GLU 109 -18.369 10.278 -26.951 920 H GLU 110 H GLU 110 -17.803 5.859 -27.596 921 HA GLU 110 HA GLU 110 -16.958 3.943 -28.494 922 1HB GLU 110 2HB GLU 110 -14.525 5.548 -29.281 923 2HB GLU 110 3HB GLU 110 -15.079 4.034 -29.982 924 1HG GLU 110 2HG GLU 110 -16.709 5.034 -31.217 925 2HG GLU 110 3HG GLU 110 -16.914 6.362 -30.077 926 H TYR 111 H TYR 111 -14.510 2.790 -28.535 927 HA TYR 111 HA TYR 111 -14.096 2.112 -25.826 928 1HB TYR 111 2HB TYR 111 -12.691 1.460 -28.393 929 2HB TYR 111 3HB TYR 111 -11.962 1.001 -26.858 930 HD1 TYR 111 HD1 TYR 111 -14.799 0.447 -29.125 931 HD2 TYR 111 HD2 TYR 111 -12.912 -0.756 -25.507 932 HE1 TYR 111 HE1 TYR 111 -16.206 -1.570 -29.069 933 HE2 TYR 111 HE2 TYR 111 -14.313 -2.777 -25.441 934 HH TYR 111 HH TYR 111 -16.899 -3.262 -26.664 935 H ASP 112 H ASP 112 -13.593 3.997 -24.692 936 HA ASP 112 HA ASP 112 -11.051 5.304 -25.360 937 1HB ASP 112 2HB ASP 112 -13.187 6.655 -25.014 938 2HB ASP 112 3HB ASP 112 -13.057 6.235 -23.309 939 H LEU 113 H LEU 113 -12.769 4.555 -22.325 940 HA LEU 113 HA LEU 113 -10.239 4.149 -20.975 941 1HB LEU 113 2HB LEU 113 -13.064 3.901 -19.953 942 2HB LEU 113 3HB LEU 113 -11.605 3.863 -18.966 943 HG LEU 113 HG LEU 113 -11.177 6.231 -19.885 944 1HD1 LEU 113 1HD1 LEU 113 -13.794 5.612 -21.020 945 2HD1 LEU 113 2HD1 LEU 113 -12.626 6.855 -21.467 946 3HD1 LEU 113 3HD1 LEU 113 -13.744 7.136 -20.133 947 1HD2 LEU 113 1HD2 LEU 113 -11.730 5.803 -17.575 948 2HD2 LEU 113 2HD2 LEU 113 -13.440 5.652 -17.978 949 3HD2 LEU 113 3HD2 LEU 113 -12.629 7.210 -18.144 950 H TRP 114 H TRP 114 -10.826 2.202 -19.136 951 HA TRP 114 HA TRP 114 -10.179 -0.153 -20.506 952 1HB TRP 114 2HB TRP 114 -11.039 0.473 -17.707 953 2HB TRP 114 3HB TRP 114 -10.953 -1.209 -18.223 954 HD1 TRP 114 HD1 TRP 114 -8.945 0.938 -16.317 955 HE1 TRP 114 HE1 TRP 114 -6.424 0.485 -16.571 956 HE3 TRP 114 HE3 TRP 114 -9.044 -1.812 -20.626 957 HZ2 TRP 114 HZ2 TRP 114 -4.705 -0.860 -18.362 958 HZ3 TRP 114 HZ3 TRP 114 -6.918 -2.644 -21.543 959 HH2 TRP 114 HH2 TRP 114 -4.795 -2.177 -20.433 960 H GLU 115 H GLU 115 -13.258 1.189 -19.531 961 HA GLU 115 HA GLU 115 -15.408 0.583 -19.964 962 1HB GLU 115 2HB GLU 115 -13.901 -0.710 -22.198 963 2HB GLU 115 3HB GLU 115 -15.606 -1.085 -21.994 964 1HG GLU 115 2HG GLU 115 -15.654 1.617 -21.843 965 2HG GLU 115 3HG GLU 115 -14.311 1.363 -22.954 966 H ASP 116 H ASP 116 -14.726 -0.603 -17.799 967 HA ASP 116 HA ASP 116 -16.226 -2.955 -17.658 968 1HB ASP 116 2HB ASP 116 -13.451 -3.348 -18.423 969 2HB ASP 116 3HB ASP 116 -13.830 -4.175 -16.914 970 HA PRO 117 HA PRO 117 -13.911 -2.356 -13.467 971 1HB PRO 117 2HB PRO 117 -11.881 -0.555 -13.399 972 2HB PRO 117 3HB PRO 117 -11.640 -2.259 -13.801 973 1HG PRO 117 2HG PRO 117 -11.876 0.102 -15.626 974 2HG PRO 117 3HG PRO 117 -10.748 -1.264 -15.704 975 1HD PRO 117 2HD PRO 117 -12.962 -1.112 -17.256 976 2HD PRO 117 3HD PRO 117 -12.306 -2.657 -16.677 977 H ILE 118 H ILE 118 -13.471 0.762 -15.157 978 HA ILE 118 HA ILE 118 -14.772 2.192 -13.021 979 HB ILE 118 HB ILE 118 -14.193 4.171 -14.122 980 1HG1 ILE 118 2HG1 ILE 118 -15.232 3.488 -16.309 981 2HG1 ILE 118 3HG1 ILE 118 -13.732 4.395 -16.466 982 1HG2 ILE 118 1HG2 ILE 118 -12.109 2.120 -14.858 983 2HG2 ILE 118 2HG2 ILE 118 -11.848 3.863 -14.819 984 3HG2 ILE 118 3HG2 ILE 118 -12.233 2.996 -13.333 985 1HD1 ILE 118 1HD1 ILE 118 -13.719 2.607 -18.044 986 2HD1 ILE 118 2HD1 ILE 118 -12.539 2.243 -16.784 987 3HD1 ILE 118 3HD1 ILE 118 -14.104 1.430 -16.789 988 H TRP 119 H TRP 119 -15.796 0.564 -15.800 989 HA TRP 119 HA TRP 119 -18.066 2.214 -16.408 990 1HB TRP 119 2HB TRP 119 -16.865 0.658 -18.028 991 2HB TRP 119 3HB TRP 119 -17.681 -0.670 -17.207 992 HD1 TRP 119 HD1 TRP 119 -19.553 2.597 -17.833 993 HE1 TRP 119 HE1 TRP 119 -21.421 2.165 -19.550 994 HE3 TRP 119 HE3 TRP 119 -18.325 -2.179 -19.182 995 HZ2 TRP 119 HZ2 TRP 119 -22.263 0.075 -21.251 996 HZ3 TRP 119 HZ3 TRP 119 -19.713 -3.324 -20.860 997 HH2 TRP 119 HH2 TRP 119 -21.641 -2.219 -21.871 998 H GLN 120 H GLN 120 -17.506 -0.776 -14.607 999 HA GLN 120 HA GLN 120 -20.313 -1.019 -13.928 1000 1HB GLN 120 2HB GLN 120 -18.061 -2.765 -13.995 1001 2HB GLN 120 3HB GLN 120 -18.696 -2.757 -12.355 1002 1HG GLN 120 2HG GLN 120 -20.827 -3.485 -13.076 1003 2HG GLN 120 3HG GLN 120 -20.426 -3.197 -14.769 1004 1HE2 GLN 120 1HE2 GLN 120 -20.503 -5.139 -15.679 1005 2HE2 GLN 120 2HE2 GLN 120 -19.641 -6.535 -15.136 1006 H TYR 121 H TYR 121 -18.089 1.047 -12.930 1007 HA TYR 121 HA TYR 121 -17.823 2.362 -11.093 1008 1HB TYR 121 2HB TYR 121 -20.500 1.128 -10.594 1009 2HB TYR 121 3HB TYR 121 -19.735 2.045 -9.301 1010 HD1 TYR 121 HD1 TYR 121 -18.803 4.416 -10.066 1011 HD2 TYR 121 HD2 TYR 121 -21.889 2.259 -12.047 1012 HE1 TYR 121 HE1 TYR 121 -19.618 6.511 -11.064 1013 HE2 TYR 121 HE2 TYR 121 -22.712 4.348 -13.052 1014 HH TYR 121 HH TYR 121 -21.998 7.306 -11.986 1015 H ILE 122 H ILE 122 -16.876 2.311 -9.047 1016 HA ILE 122 HA ILE 122 -15.426 0.068 -8.350 1017 HB ILE 122 HB ILE 122 -15.023 1.143 -6.171 1018 1HG1 ILE 122 2HG1 ILE 122 -17.157 3.070 -7.109 1019 2HG1 ILE 122 3HG1 ILE 122 -17.235 2.014 -5.702 1020 1HG2 ILE 122 1HG2 ILE 122 -13.653 2.713 -7.057 1021 2HG2 ILE 122 2HG2 ILE 122 -14.146 1.944 -8.565 1022 3HG2 ILE 122 3HG2 ILE 122 -14.930 3.433 -8.037 1023 1HD1 ILE 122 1HD1 ILE 122 -16.560 3.795 -4.556 1024 2HD1 ILE 122 2HD1 ILE 122 -14.964 3.465 -5.232 1025 3HD1 ILE 122 3HD1 ILE 122 -16.025 4.639 -6.009 Start of MODEL 19 1 H MET 1 H MET 1 2.789 -8.776 -2.930 2 HA MET 1 HA MET 1 2.148 -7.483 -4.933 3 1HB MET 1 2HB MET 1 0.061 -9.415 -3.914 4 2HB MET 1 3HB MET 1 0.100 -8.788 -5.556 5 1HG MET 1 2HG MET 1 1.896 -10.048 -6.149 6 2HG MET 1 3HG MET 1 2.557 -10.074 -4.516 7 1HE MET 1 1HE MET 1 2.377 -11.980 -2.949 8 2HE MET 1 2HE MET 1 1.923 -13.564 -3.579 9 3HE MET 1 3HE MET 1 3.148 -12.603 -4.408 10 H GLN 2 H GLN 2 1.770 -5.549 -3.061 11 HA GLN 2 HA GLN 2 -0.992 -4.800 -2.842 12 1HB GLN 2 2HB GLN 2 1.615 -3.495 -2.129 13 2HB GLN 2 3HB GLN 2 0.120 -2.570 -2.090 14 1HG GLN 2 2HG GLN 2 -0.819 -4.050 -0.452 15 2HG GLN 2 3HG GLN 2 0.571 -5.127 -0.572 16 1HE2 GLN 2 1HE2 GLN 2 1.300 -4.989 1.480 17 2HE2 GLN 2 2HE2 GLN 2 1.883 -3.536 2.209 18 H LYS 3 H LYS 3 1.745 -3.852 -4.858 19 HA LYS 3 HA LYS 3 -0.143 -2.425 -6.610 20 1HB LYS 3 2HB LYS 3 2.707 -1.604 -6.023 21 2HB LYS 3 3HB LYS 3 1.602 -0.788 -7.122 22 1HG LYS 3 2HG LYS 3 0.598 -1.113 -4.385 23 2HG LYS 3 3HG LYS 3 2.020 -0.079 -4.544 24 1HD LYS 3 2HD LYS 3 0.876 1.283 -6.197 25 2HD LYS 3 3HD LYS 3 -0.530 0.216 -6.133 26 1HE LYS 3 2HE LYS 3 0.357 1.316 -3.548 27 2HE LYS 3 3HE LYS 3 -0.280 2.493 -4.695 28 1HZ LYS 3 1HZ LYS 3 -2.077 1.706 -3.385 29 2HZ LYS 3 2HZ LYS 3 -1.658 0.087 -3.641 30 3HZ LYS 3 3HZ LYS 3 -2.255 1.018 -4.921 31 H GLY 4 H GLY 4 1.414 -1.863 -8.733 32 1HA GLY 4 2HA GLY 4 2.814 -2.784 -10.395 33 2HA GLY 4 3HA GLY 4 2.824 -4.303 -9.512 34 H LEU 5 H LEU 5 -0.220 -2.769 -9.989 35 HA LEU 5 HA LEU 5 -0.801 -4.504 -12.287 36 1HB LEU 5 2HB LEU 5 -2.101 -4.459 -9.626 37 2HB LEU 5 3HB LEU 5 -3.154 -4.623 -11.029 38 HG LEU 5 HG LEU 5 -2.635 -6.796 -10.088 39 1HD1 LEU 5 1HD1 LEU 5 -2.172 -7.884 -12.077 40 2HD1 LEU 5 2HD1 LEU 5 -1.032 -6.649 -12.608 41 3HD1 LEU 5 3HD1 LEU 5 -2.764 -6.317 -12.628 42 1HD2 LEU 5 1HD2 LEU 5 -0.193 -5.756 -9.483 43 2HD2 LEU 5 2HD2 LEU 5 0.191 -6.783 -10.865 44 3HD2 LEU 5 3HD2 LEU 5 -0.596 -7.473 -9.445 45 H GLU 6 H GLU 6 -2.826 -3.889 -13.414 46 HA GLU 6 HA GLU 6 -3.012 -0.980 -13.551 47 1HB GLU 6 2HB GLU 6 -4.402 -2.896 -15.404 48 2HB GLU 6 3HB GLU 6 -3.895 -1.241 -15.712 49 1HG GLU 6 2HG GLU 6 -2.138 -2.114 -16.743 50 2HG GLU 6 3HG GLU 6 -1.530 -2.524 -15.140 51 H ILE 7 H ILE 7 -4.667 0.127 -12.746 52 HA ILE 7 HA ILE 7 -7.263 -1.180 -12.415 53 HB ILE 7 HB ILE 7 -7.335 0.136 -10.132 54 1HG1 ILE 7 2HG1 ILE 7 -4.853 0.846 -10.708 55 2HG1 ILE 7 3HG1 ILE 7 -5.336 0.508 -9.049 56 1HG2 ILE 7 1HG2 ILE 7 -7.764 -2.193 -10.229 57 2HG2 ILE 7 2HG2 ILE 7 -6.079 -2.557 -10.600 58 3HG2 ILE 7 3HG2 ILE 7 -6.521 -1.962 -9.000 59 1HD1 ILE 7 1HD1 ILE 7 -4.179 -1.467 -8.973 60 2HD1 ILE 7 2HD1 ILE 7 -4.240 -1.696 -10.721 61 3HD1 ILE 7 3HD1 ILE 7 -3.145 -0.501 -10.026 62 H ALA 8 H ALA 8 -9.028 0.213 -12.445 63 HA ALA 8 HA ALA 8 -8.405 2.997 -13.187 64 1HB ALA 8 1HB ALA 8 -10.914 1.615 -14.053 65 2HB ALA 8 2HB ALA 8 -10.087 2.993 -14.781 66 3HB ALA 8 3HB ALA 8 -9.407 1.373 -14.936 67 H PHE 9 H PHE 9 -9.644 4.646 -12.334 68 HA PHE 9 HA PHE 9 -11.637 3.892 -10.307 69 1HB PHE 9 2HB PHE 9 -9.533 4.463 -9.174 70 2HB PHE 9 3HB PHE 9 -9.505 6.017 -10.001 71 HD1 PHE 9 HD1 PHE 9 -10.245 7.841 -8.833 72 HD2 PHE 9 HD2 PHE 9 -11.816 4.004 -7.869 73 HE1 PHE 9 HE1 PHE 9 -11.552 8.839 -7.003 74 HE2 PHE 9 HE2 PHE 9 -13.126 4.996 -6.038 75 HZ PHE 9 HZ PHE 9 -12.996 7.417 -5.603 76 H GLN 10 H GLN 10 -13.449 5.125 -10.228 77 HA GLN 10 HA GLN 10 -13.739 7.139 -12.329 78 1HB GLN 10 2HB GLN 10 -16.201 6.931 -11.736 79 2HB GLN 10 3HB GLN 10 -15.446 5.509 -12.445 80 1HG GLN 10 2HG GLN 10 -15.845 4.266 -10.645 81 2HG GLN 10 3HG GLN 10 -15.304 5.531 -9.543 82 1HE2 GLN 10 1HE2 GLN 10 -16.890 5.569 -8.076 83 2HE2 GLN 10 2HE2 GLN 10 -18.556 5.862 -8.426 84 H THR 11 H THR 11 -14.929 9.121 -11.868 85 HA THR 11 HA THR 11 -15.291 10.010 -9.179 86 HB THR 11 HB THR 11 -12.956 10.309 -9.043 87 HG1 THR 11 HG1 THR 11 -12.782 12.691 -9.228 88 1HG2 THR 11 1HG2 THR 11 -13.169 11.294 -11.872 89 2HG2 THR 11 2HG2 THR 11 -12.157 10.004 -11.221 90 3HG2 THR 11 3HG2 THR 11 -11.774 11.689 -10.868 91 H ILE 12 H ILE 12 -16.472 11.900 -9.062 92 HA ILE 12 HA ILE 12 -17.044 13.285 -11.590 93 HB ILE 12 HB ILE 12 -19.270 12.837 -9.648 94 1HG1 ILE 12 2HG1 ILE 12 -19.792 10.875 -11.398 95 2HG1 ILE 12 3HG1 ILE 12 -18.034 10.802 -11.430 96 1HG2 ILE 12 1HG2 ILE 12 -19.911 14.324 -11.290 97 2HG2 ILE 12 2HG2 ILE 12 -18.968 13.513 -12.540 98 3HG2 ILE 12 3HG2 ILE 12 -20.469 12.791 -11.961 99 1HD1 ILE 12 1HD1 ILE 12 -19.779 9.652 -9.564 100 2HD1 ILE 12 2HD1 ILE 12 -18.015 9.678 -9.530 101 3HD1 ILE 12 3HD1 ILE 12 -18.931 10.950 -8.723 102 H ASN 13 H ASN 13 -17.748 13.394 -8.092 103 HA ASN 13 HA ASN 13 -16.507 15.909 -7.726 104 1HB ASN 13 2HB ASN 13 -19.020 16.131 -8.876 105 2HB ASN 13 3HB ASN 13 -19.330 16.392 -7.162 106 1HD2 ASN 13 1HD2 ASN 13 -16.969 17.334 -9.638 107 2HD2 ASN 13 2HD2 ASN 13 -16.870 18.990 -9.155 108 H GLY 14 H GLY 14 -17.725 16.916 -5.545 109 1HA GLY 14 2HA GLY 14 -18.314 16.534 -3.330 110 2HA GLY 14 3HA GLY 14 -18.465 14.822 -3.697 111 H LEU 15 H LEU 15 -16.782 13.460 -3.284 112 HA LEU 15 HA LEU 15 -14.399 14.684 -2.058 113 1HB LEU 15 2HB LEU 15 -15.230 11.887 -1.452 114 2HB LEU 15 3HB LEU 15 -14.320 13.026 -0.462 115 HG LEU 15 HG LEU 15 -17.297 13.006 -0.942 116 1HD1 LEU 15 1HD1 LEU 15 -15.831 11.552 0.835 117 2HD1 LEU 15 2HD1 LEU 15 -17.513 12.030 1.060 118 3HD1 LEU 15 3HD1 LEU 15 -16.220 12.991 1.778 119 1HD2 LEU 15 1HD2 LEU 15 -16.638 14.834 1.073 120 2HD2 LEU 15 2HD2 LEU 15 -17.294 15.186 -0.526 121 3HD2 LEU 15 3HD2 LEU 15 -15.549 15.185 -0.270 122 H ASP 16 H ASP 16 -15.581 12.684 -4.542 123 HA ASP 16 HA ASP 16 -13.519 10.892 -5.001 124 1HB ASP 16 2HB ASP 16 -14.981 12.349 -7.203 125 2HB ASP 16 3HB ASP 16 -14.315 10.719 -7.241 126 H GLU 17 H GLU 17 -13.854 14.208 -6.253 127 HA GLU 17 HA GLU 17 -11.540 14.349 -7.755 128 1HB GLU 17 2HB GLU 17 -12.766 16.549 -6.080 129 2HB GLU 17 3HB GLU 17 -11.624 16.783 -7.396 130 1HG GLU 17 2HG GLU 17 -14.251 15.405 -7.816 131 2HG GLU 17 3HG GLU 17 -14.097 17.160 -7.880 132 H SER 18 H SER 18 -11.948 15.080 -4.300 133 HA SER 18 HA SER 18 -9.314 15.851 -3.773 134 1HB SER 18 2HB SER 18 -9.886 15.781 -1.521 135 2HB SER 18 3HB SER 18 -11.470 15.934 -2.280 136 HG SER 18 HG SER 18 -11.956 13.952 -1.697 137 H LEU 19 H LEU 19 -10.840 12.659 -3.685 138 HA LEU 19 HA LEU 19 -8.567 11.275 -2.709 139 1HB LEU 19 2HB LEU 19 -10.839 10.382 -2.560 140 2HB LEU 19 3HB LEU 19 -10.906 10.257 -4.317 141 HG LEU 19 HG LEU 19 -10.458 8.136 -2.903 142 1HD1 LEU 19 1HD1 LEU 19 -8.437 7.835 -4.805 143 2HD1 LEU 19 2HD1 LEU 19 -9.556 9.014 -5.489 144 3HD1 LEU 19 3HD1 LEU 19 -10.145 7.430 -4.982 145 1HD2 LEU 19 1HD2 LEU 19 -7.593 8.880 -3.152 146 2HD2 LEU 19 2HD2 LEU 19 -8.381 7.765 -2.036 147 3HD2 LEU 19 3HD2 LEU 19 -8.499 9.506 -1.774 148 H VAL 20 H VAL 20 -9.717 12.087 -5.929 149 HA VAL 20 HA VAL 20 -7.968 10.431 -7.394 150 HB VAL 20 HB VAL 20 -9.206 13.067 -8.200 151 1HG1 VAL 20 1HG1 VAL 20 -7.425 12.661 -9.698 152 2HG1 VAL 20 2HG1 VAL 20 -7.797 10.939 -9.791 153 3HG1 VAL 20 3HG1 VAL 20 -8.885 12.118 -10.524 154 1HG2 VAL 20 1HG2 VAL 20 -11.131 11.972 -8.347 155 2HG2 VAL 20 2HG2 VAL 20 -10.398 10.820 -9.463 156 3HG2 VAL 20 3HG2 VAL 20 -10.355 10.515 -7.727 157 H GLN 21 H GLN 21 -7.733 13.907 -6.626 158 HA GLN 21 HA GLN 21 -5.158 14.253 -7.713 159 1HB GLN 21 2HB GLN 21 -6.535 15.839 -5.539 160 2HB GLN 21 3HB GLN 21 -5.117 16.359 -6.438 161 1HG GLN 21 2HG GLN 21 -7.568 15.618 -7.948 162 2HG GLN 21 3HG GLN 21 -7.525 17.161 -7.096 163 1HE2 GLN 21 1HE2 GLN 21 -6.861 18.800 -8.266 164 2HE2 GLN 21 2HE2 GLN 21 -5.777 18.728 -9.609 165 H ALA 22 H ALA 22 -6.261 13.555 -4.420 166 HA ALA 22 HA ALA 22 -3.781 13.715 -3.133 167 1HB ALA 22 1HB ALA 22 -6.333 12.277 -2.526 168 2HB ALA 22 2HB ALA 22 -4.907 12.033 -1.516 169 3HB ALA 22 3HB ALA 22 -5.595 13.647 -1.696 170 H LEU 23 H LEU 23 -5.464 10.854 -4.437 171 HA LEU 23 HA LEU 23 -3.383 9.034 -3.877 172 1HB LEU 23 2HB LEU 23 -4.684 7.466 -4.881 173 2HB LEU 23 3HB LEU 23 -5.903 8.702 -4.575 174 HG LEU 23 HG LEU 23 -5.251 9.454 -7.023 175 1HD1 LEU 23 1HD1 LEU 23 -3.588 7.317 -6.824 176 2HD1 LEU 23 2HD1 LEU 23 -4.207 7.971 -8.340 177 3HD1 LEU 23 3HD1 LEU 23 -5.001 6.588 -7.587 178 1HD2 LEU 23 1HD2 LEU 23 -7.020 7.105 -6.351 179 2HD2 LEU 23 2HD2 LEU 23 -7.074 8.016 -7.861 180 3HD2 LEU 23 3HD2 LEU 23 -7.476 8.809 -6.338 181 H ALA 24 H ALA 24 -4.005 11.176 -6.566 182 HA ALA 24 HA ALA 24 -2.230 10.020 -8.430 183 1HB ALA 24 1HB ALA 24 -3.262 12.835 -8.147 184 2HB ALA 24 2HB ALA 24 -2.289 12.279 -9.509 185 3HB ALA 24 3HB ALA 24 -3.872 11.563 -9.206 186 H GLY 25 H GLY 25 -1.799 12.722 -6.144 187 1HA GLY 25 2HA GLY 25 0.927 13.166 -6.803 188 2HA GLY 25 3HA GLY 25 0.103 13.752 -5.366 189 H VAL 26 H VAL 26 -0.606 11.450 -4.089 190 HA VAL 26 HA VAL 26 1.739 10.724 -2.756 191 HB VAL 26 HB VAL 26 -0.893 9.244 -2.871 192 1HG1 VAL 26 1HG1 VAL 26 0.516 7.649 -1.994 193 2HG1 VAL 26 2HG1 VAL 26 1.580 8.844 -1.248 194 3HG1 VAL 26 3HG1 VAL 26 0.005 8.496 -0.533 195 1HG2 VAL 26 1HG2 VAL 26 -0.828 11.664 -2.049 196 2HG2 VAL 26 2HG2 VAL 26 -1.557 10.464 -0.982 197 3HG2 VAL 26 3HG2 VAL 26 0.080 11.042 -0.671 198 H THR 27 H THR 27 -0.177 8.859 -5.110 199 HA THR 27 HA THR 27 1.501 6.612 -5.190 200 HB THR 27 HB THR 27 -0.279 7.681 -7.390 201 HG1 THR 27 HG1 THR 27 -1.421 7.237 -5.458 202 1HG2 THR 27 1HG2 THR 27 -0.286 5.396 -8.234 203 2HG2 THR 27 2HG2 THR 27 0.803 4.897 -6.940 204 3HG2 THR 27 3HG2 THR 27 1.362 6.022 -8.178 205 H ALA 28 H ALA 28 1.297 9.346 -7.474 206 HA ALA 28 HA ALA 28 3.424 8.606 -9.112 207 1HB ALA 28 1HB ALA 28 1.979 10.299 -9.887 208 2HB ALA 28 2HB ALA 28 2.257 11.299 -8.461 209 3HB ALA 28 3HB ALA 28 3.543 11.079 -9.648 210 H SER 29 H SER 29 3.394 10.396 -6.080 211 HA SER 29 HA SER 29 6.160 11.121 -6.194 212 1HB SER 29 2HB SER 29 5.857 11.966 -3.962 213 2HB SER 29 3HB SER 29 4.406 12.362 -4.883 214 HG SER 29 HG SER 29 4.717 10.713 -2.711 215 H ASP 30 H ASP 30 4.337 8.416 -4.964 216 HA ASP 30 HA ASP 30 6.535 7.345 -3.432 217 1HB ASP 30 2HB ASP 30 3.738 6.490 -4.041 218 2HB ASP 30 3HB ASP 30 4.888 5.274 -3.491 219 H PHE 31 H PHE 31 5.544 7.289 -6.684 220 HA PHE 31 HA PHE 31 7.375 5.044 -7.224 221 1HB PHE 31 2HB PHE 31 4.862 5.791 -8.733 222 2HB PHE 31 3HB PHE 31 5.998 4.541 -9.226 223 HD1 PHE 31 HD1 PHE 31 6.583 3.336 -6.560 224 HD2 PHE 31 HD2 PHE 31 2.918 4.559 -8.344 225 HE1 PHE 31 HE1 PHE 31 5.371 1.692 -5.188 226 HE2 PHE 31 HE2 PHE 31 1.699 2.918 -6.975 227 HZ PHE 31 HZ PHE 31 2.925 1.482 -5.394 228 HA PRO 32 HA PRO 32 8.735 9.025 -9.329 229 1HB PRO 32 2HB PRO 32 11.193 9.136 -8.181 230 2HB PRO 32 3HB PRO 32 9.760 9.877 -7.457 231 1HG PRO 32 2HG PRO 32 11.066 7.259 -6.820 232 2HG PRO 32 3HG PRO 32 10.422 8.487 -5.714 233 1HD PRO 32 2HD PRO 32 9.058 6.234 -6.345 234 2HD PRO 32 3HD PRO 32 8.247 7.773 -5.987 235 H ASP 33 H ASP 33 10.558 6.080 -8.544 236 HA ASP 33 HA ASP 33 11.867 6.228 -11.169 237 1HB ASP 33 2HB ASP 33 12.576 4.319 -8.946 238 2HB ASP 33 3HB ASP 33 13.563 4.806 -10.321 239 H LEU 34 H LEU 34 9.350 4.690 -9.545 240 HA LEU 34 HA LEU 34 9.472 2.131 -10.794 241 1HB LEU 34 2HB LEU 34 7.704 3.557 -8.988 242 2HB LEU 34 3HB LEU 34 6.814 2.591 -10.163 243 HG LEU 34 HG LEU 34 8.711 0.826 -9.267 244 1HD1 LEU 34 1HD1 LEU 34 7.790 1.579 -6.663 245 2HD1 LEU 34 2HD1 LEU 34 8.691 2.909 -7.388 246 3HD1 LEU 34 3HD1 LEU 34 9.438 1.319 -7.233 247 1HD2 LEU 34 1HD2 LEU 34 6.764 -0.011 -7.820 248 2HD2 LEU 34 2HD2 LEU 34 6.513 0.105 -9.562 249 3HD2 LEU 34 3HD2 LEU 34 5.862 1.348 -8.492 250 H ASP 35 H ASP 35 8.810 5.165 -12.004 251 HA ASP 35 HA ASP 35 7.775 5.971 -13.873 252 1HB ASP 35 2HB ASP 35 9.032 3.394 -14.616 253 2HB ASP 35 3HB ASP 35 7.873 4.049 -15.770 254 H ILE 36 H ILE 36 5.749 5.770 -12.499 255 HA ILE 36 HA ILE 36 3.909 3.667 -13.039 256 HB ILE 36 HB ILE 36 3.646 4.879 -10.996 257 1HG1 ILE 36 2HG1 ILE 36 1.368 5.790 -12.755 258 2HG1 ILE 36 3HG1 ILE 36 1.586 4.110 -12.278 259 1HG2 ILE 36 1HG2 ILE 36 2.897 7.317 -11.112 260 2HG2 ILE 36 2HG2 ILE 36 4.599 6.977 -11.417 261 3HG2 ILE 36 3HG2 ILE 36 3.509 7.300 -12.765 262 1HD1 ILE 36 1HD1 ILE 36 1.525 6.195 -10.162 263 2HD1 ILE 36 2HD1 ILE 36 0.014 5.710 -10.932 264 3HD1 ILE 36 3HD1 ILE 36 1.008 4.510 -10.107 265 H LYS 37 H LYS 37 2.236 3.544 -14.466 266 HA LYS 37 HA LYS 37 2.170 5.606 -16.564 267 1HB LYS 37 2HB LYS 37 1.666 2.650 -16.588 268 2HB LYS 37 3HB LYS 37 0.951 3.673 -17.826 269 1HG LYS 37 2HG LYS 37 2.999 2.753 -18.657 270 2HG LYS 37 3HG LYS 37 3.213 4.487 -18.404 271 1HD LYS 37 2HD LYS 37 5.135 3.108 -17.624 272 2HD LYS 37 3HD LYS 37 4.409 4.102 -16.359 273 1HE LYS 37 2HE LYS 37 4.952 1.776 -15.648 274 2HE LYS 37 3HE LYS 37 3.256 2.214 -15.447 275 1HZ LYS 37 1HZ LYS 37 2.654 0.568 -16.780 276 2HZ LYS 37 2HZ LYS 37 4.258 0.032 -16.798 277 3HZ LYS 37 3HZ LYS 37 3.703 1.077 -18.006 278 H TYR 38 H TYR 38 0.799 6.658 -14.742 279 HA TYR 38 HA TYR 38 -2.015 5.885 -15.160 280 1HB TYR 38 2HB TYR 38 -2.533 6.326 -12.956 281 2HB TYR 38 3HB TYR 38 -0.893 5.712 -12.783 282 HD1 TYR 38 HD1 TYR 38 0.945 7.702 -13.112 283 HD2 TYR 38 HD2 TYR 38 -3.036 8.174 -11.685 284 HE1 TYR 38 HE1 TYR 38 1.606 9.778 -11.971 285 HE2 TYR 38 HE2 TYR 38 -2.386 10.252 -10.541 286 HH TYR 38 HH TYR 38 -0.261 12.057 -11.071 287 H ASN 39 H ASN 39 -3.534 7.786 -14.752 288 HA ASN 39 HA ASN 39 -2.694 10.443 -15.014 289 1HB ASN 39 2HB ASN 39 -3.677 10.562 -17.500 290 2HB ASN 39 3HB ASN 39 -1.964 10.305 -17.176 291 1HD2 ASN 39 1HD2 ASN 39 -1.099 8.765 -18.341 292 2HD2 ASN 39 2HD2 ASN 39 -1.896 7.344 -18.916 293 H ILE 40 H ILE 40 -4.554 11.884 -15.784 294 HA ILE 40 HA ILE 40 -7.136 10.631 -15.121 295 HB ILE 40 HB ILE 40 -7.235 13.371 -14.393 296 1HG1 ILE 40 2HG1 ILE 40 -4.896 11.878 -13.184 297 2HG1 ILE 40 3HG1 ILE 40 -4.801 13.318 -14.192 298 1HG2 ILE 40 1HG2 ILE 40 -8.620 11.583 -13.481 299 2HG2 ILE 40 2HG2 ILE 40 -7.205 10.873 -12.705 300 3HG2 ILE 40 3HG2 ILE 40 -7.789 12.456 -12.194 301 1HD1 ILE 40 1HD1 ILE 40 -4.494 13.983 -11.937 302 2HD1 ILE 40 2HD1 ILE 40 -6.097 14.526 -12.433 303 3HD1 ILE 40 3HD1 ILE 40 -5.926 13.096 -11.416 304 H PHE 41 H PHE 41 -8.670 10.930 -16.594 305 HA PHE 41 HA PHE 41 -8.466 13.244 -18.400 306 1HB PHE 41 2HB PHE 41 -9.534 11.582 -20.121 307 2HB PHE 41 3HB PHE 41 -7.794 11.572 -19.857 308 HD1 PHE 41 HD1 PHE 41 -6.699 9.695 -18.893 309 HD2 PHE 41 HD2 PHE 41 -10.945 9.811 -19.158 310 HE1 PHE 41 HE1 PHE 41 -6.796 7.300 -18.336 311 HE2 PHE 41 HE2 PHE 41 -11.049 7.417 -18.600 312 HZ PHE 41 HZ PHE 41 -8.973 6.159 -18.187 313 H LEU 42 H LEU 42 -10.389 14.188 -19.031 314 HA LEU 42 HA LEU 42 -12.738 13.358 -17.480 315 1HB LEU 42 2HB LEU 42 -12.062 15.609 -17.039 316 2HB LEU 42 3HB LEU 42 -11.992 15.978 -18.761 317 HG LEU 42 HG LEU 42 -13.976 16.854 -17.351 318 1HD1 LEU 42 1HD1 LEU 42 -13.617 16.579 -19.959 319 2HD1 LEU 42 2HD1 LEU 42 -15.156 17.108 -19.280 320 3HD1 LEU 42 3HD1 LEU 42 -14.939 15.427 -19.769 321 1HD2 LEU 42 1HD2 LEU 42 -15.630 15.447 -16.713 322 2HD2 LEU 42 2HD2 LEU 42 -14.292 14.301 -16.622 323 3HD2 LEU 42 3HD2 LEU 42 -15.340 14.323 -18.041 324 H VAL 43 H VAL 43 -14.304 12.319 -18.503 325 HA VAL 43 HA VAL 43 -14.485 12.532 -21.425 326 HB VAL 43 HB VAL 43 -15.342 10.414 -21.510 327 1HG1 VAL 43 1HG1 VAL 43 -13.875 9.082 -20.398 328 2HG1 VAL 43 2HG1 VAL 43 -13.122 10.641 -20.054 329 3HG1 VAL 43 3HG1 VAL 43 -14.158 9.875 -18.848 330 1HG2 VAL 43 1HG2 VAL 43 -16.464 10.920 -18.765 331 2HG2 VAL 43 2HG2 VAL 43 -17.342 10.708 -20.280 332 3HG2 VAL 43 3HG2 VAL 43 -16.512 9.338 -19.542 333 H ASP 44 H ASP 44 -16.223 13.372 -22.422 334 HA ASP 44 HA ASP 44 -18.629 13.932 -20.834 335 1HB ASP 44 2HB ASP 44 -17.570 16.039 -20.795 336 2HB ASP 44 3HB ASP 44 -17.027 15.892 -22.464 337 H LEU 45 H LEU 45 -20.069 12.633 -21.798 338 HA LEU 45 HA LEU 45 -20.684 13.112 -24.597 339 1HB LEU 45 2HB LEU 45 -20.890 10.514 -24.808 340 2HB LEU 45 3HB LEU 45 -19.351 11.326 -25.091 341 HG LEU 45 HG LEU 45 -19.263 9.186 -23.752 342 1HD1 LEU 45 1HD1 LEU 45 -18.172 11.282 -21.989 343 2HD1 LEU 45 2HD1 LEU 45 -17.698 11.369 -23.685 344 3HD1 LEU 45 3HD1 LEU 45 -17.375 9.907 -22.754 345 1HD2 LEU 45 1HD2 LEU 45 -20.093 9.049 -21.612 346 2HD2 LEU 45 2HD2 LEU 45 -21.354 9.993 -22.406 347 3HD2 LEU 45 3HD2 LEU 45 -20.147 10.800 -21.403 348 H TYR 46 H TYR 46 -22.769 12.217 -25.231 349 HA TYR 46 HA TYR 46 -25.001 11.919 -24.914 350 1HB TYR 46 2HB TYR 46 -23.920 10.393 -22.547 351 2HB TYR 46 3HB TYR 46 -25.640 10.468 -22.914 352 HD1 TYR 46 HD1 TYR 46 -26.575 9.221 -24.738 353 HD2 TYR 46 HD2 TYR 46 -22.372 9.238 -24.078 354 HE1 TYR 46 HE1 TYR 46 -26.327 7.341 -26.305 355 HE2 TYR 46 HE2 TYR 46 -22.112 7.359 -25.644 356 HH TYR 46 HH TYR 46 -23.307 5.652 -26.684 357 H GLY 47 H GLY 47 -23.719 14.315 -23.876 358 1HA GLY 47 2HA GLY 47 -24.353 16.196 -22.720 359 2HA GLY 47 3HA GLY 47 -25.914 15.425 -22.486 360 H GLN 48 H GLN 48 -23.237 13.630 -21.365 361 HA GLN 48 HA GLN 48 -23.752 14.541 -18.611 362 1HB GLN 48 2HB GLN 48 -23.129 11.722 -19.505 363 2HB GLN 48 3HB GLN 48 -23.414 12.243 -17.850 364 1HG GLN 48 2HG GLN 48 -25.684 13.101 -18.974 365 2HG GLN 48 3HG GLN 48 -25.324 11.744 -20.040 366 1HE2 GLN 48 1HE2 GLN 48 -26.767 12.668 -17.193 367 2HE2 GLN 48 2HE2 GLN 48 -26.922 11.117 -16.450 368 H LYS 49 H LYS 49 -22.024 14.919 -17.320 369 HA LYS 49 HA LYS 49 -19.373 14.618 -18.559 370 1HB LYS 49 2HB LYS 49 -20.275 16.488 -16.360 371 2HB LYS 49 3HB LYS 49 -18.649 16.410 -17.026 372 1HG LYS 49 2HG LYS 49 -19.375 18.098 -18.312 373 2HG LYS 49 3HG LYS 49 -20.074 16.799 -19.281 374 1HD LYS 49 2HD LYS 49 -22.119 17.580 -18.894 375 2HD LYS 49 3HD LYS 49 -21.868 17.436 -17.153 376 1HE LYS 49 2HE LYS 49 -20.526 19.662 -17.472 377 2HE LYS 49 3HE LYS 49 -21.488 19.795 -18.942 378 1HZ LYS 49 1HZ LYS 49 -22.767 19.265 -16.336 379 2HZ LYS 49 2HZ LYS 49 -23.452 19.914 -17.739 380 3HZ LYS 49 3HZ LYS 49 -22.388 20.845 -16.810 381 H TYR 50 H TYR 50 -17.861 13.374 -17.633 382 HA TYR 50 HA TYR 50 -18.023 12.672 -14.824 383 1HB TYR 50 2HB TYR 50 -18.240 10.594 -17.009 384 2HB TYR 50 3HB TYR 50 -17.884 10.221 -15.327 385 HD1 TYR 50 HD1 TYR 50 -20.429 10.374 -17.690 386 HD2 TYR 50 HD2 TYR 50 -19.641 11.330 -13.620 387 HE1 TYR 50 HE1 TYR 50 -22.839 10.282 -17.208 388 HE2 TYR 50 HE2 TYR 50 -22.049 11.240 -13.126 389 HH TYR 50 HH TYR 50 -24.156 9.849 -14.490 390 H PHE 51 H PHE 51 -16.065 12.151 -13.948 391 HA PHE 51 HA PHE 51 -13.762 12.350 -15.760 392 1HB PHE 51 2HB PHE 51 -13.995 12.850 -12.788 393 2HB PHE 51 3HB PHE 51 -12.480 12.906 -13.682 394 HD1 PHE 51 HD1 PHE 51 -15.878 14.413 -13.599 395 HD2 PHE 51 HD2 PHE 51 -11.779 14.890 -14.643 396 HE1 PHE 51 HE1 PHE 51 -16.296 16.775 -14.147 397 HE2 PHE 51 HE2 PHE 51 -12.191 17.253 -15.192 398 HZ PHE 51 HZ PHE 51 -14.451 18.199 -14.943 399 H ARG 52 H ARG 52 -12.375 10.705 -16.002 400 HA ARG 52 HA ARG 52 -12.551 8.443 -14.127 401 1HB ARG 52 2HB ARG 52 -12.144 8.114 -17.097 402 2HB ARG 52 3HB ARG 52 -12.476 6.862 -15.907 403 1HG ARG 52 2HG ARG 52 -14.437 9.056 -16.484 404 2HG ARG 52 3HG ARG 52 -14.381 7.571 -17.436 405 1HD ARG 52 2HD ARG 52 -15.627 6.568 -15.898 406 2HD ARG 52 3HD ARG 52 -14.333 6.807 -14.724 407 HE ARG 52 HE ARG 52 -15.588 9.176 -14.664 408 1HH1 ARG 52 2HH1 ARG 52 -16.777 5.908 -14.494 409 2HH1 ARG 52 1HH1 ARG 52 -18.141 6.317 -13.507 410 1HH2 ARG 52 2HH2 ARG 52 -17.379 9.727 -13.363 411 2HH2 ARG 52 1HH2 ARG 52 -18.482 8.490 -12.865 412 H ILE 53 H ILE 53 -10.647 7.464 -13.585 413 HA ILE 53 HA ILE 53 -8.201 8.629 -14.748 414 HB ILE 53 HB ILE 53 -7.226 8.852 -12.714 415 1HG1 ILE 53 2HG1 ILE 53 -8.096 7.362 -10.720 416 2HG1 ILE 53 3HG1 ILE 53 -8.733 6.361 -12.020 417 1HG2 ILE 53 1HG2 ILE 53 -9.999 8.721 -11.586 418 2HG2 ILE 53 2HG2 ILE 53 -8.690 9.833 -11.190 419 3HG2 ILE 53 3HG2 ILE 53 -9.536 9.980 -12.730 420 1HD1 ILE 53 1HD1 ILE 53 -6.063 6.964 -12.680 421 2HD1 ILE 53 2HD1 ILE 53 -6.090 6.483 -10.983 422 3HD1 ILE 53 3HD1 ILE 53 -6.753 5.409 -12.216 423 H LEU 54 H LEU 54 -6.599 7.277 -15.391 424 HA LEU 54 HA LEU 54 -7.072 4.390 -15.041 425 1HB LEU 54 2HB LEU 54 -7.219 5.594 -17.386 426 2HB LEU 54 3HB LEU 54 -5.465 5.432 -17.320 427 HG LEU 54 HG LEU 54 -7.502 3.208 -17.292 428 1HD1 LEU 54 1HD1 LEU 54 -6.669 2.629 -19.416 429 2HD1 LEU 54 2HD1 LEU 54 -5.293 3.720 -19.263 430 3HD1 LEU 54 3HD1 LEU 54 -6.919 4.374 -19.464 431 1HD2 LEU 54 1HD2 LEU 54 -4.587 3.244 -16.658 432 2HD2 LEU 54 2HD2 LEU 54 -5.276 1.850 -17.491 433 3HD2 LEU 54 3HD2 LEU 54 -5.893 2.325 -15.907 434 H PHE 55 H PHE 55 -5.530 3.275 -14.041 435 HA PHE 55 HA PHE 55 -2.819 4.418 -13.925 436 1HB PHE 55 2HB PHE 55 -3.544 4.819 -11.753 437 2HB PHE 55 3HB PHE 55 -4.539 3.368 -11.709 438 HD1 PHE 55 HD1 PHE 55 -0.966 3.696 -12.656 439 HD2 PHE 55 HD2 PHE 55 -3.787 2.242 -9.820 440 HE1 PHE 55 HE1 PHE 55 0.836 2.503 -11.481 441 HE2 PHE 55 HE2 PHE 55 -1.989 1.047 -8.640 442 HZ PHE 55 HZ PHE 55 0.326 1.177 -9.469 443 H GLN 56 H GLN 56 -1.379 3.108 -14.815 444 HA GLN 56 HA GLN 56 -1.800 0.201 -14.614 445 1HB GLN 56 2HB GLN 56 -2.306 0.710 -16.871 446 2HB GLN 56 3HB GLN 56 -0.954 1.827 -17.004 447 1HG GLN 56 2HG GLN 56 0.584 0.156 -17.276 448 2HG GLN 56 3HG GLN 56 -0.392 -1.032 -16.413 449 1HE2 GLN 56 1HE2 GLN 56 0.903 -1.343 -18.953 450 2HE2 GLN 56 2HE2 GLN 56 -0.334 -1.666 -20.115 451 H SER 57 H SER 57 0.026 -1.072 -14.341 452 HA SER 57 HA SER 57 2.424 0.406 -13.505 453 1HB SER 57 2HB SER 57 0.976 -1.809 -12.378 454 2HB SER 57 3HB SER 57 2.635 -2.300 -12.718 455 HG SER 57 HG SER 57 2.110 0.145 -11.427 456 H LYS 58 H LYS 58 4.448 -1.178 -13.663 457 HA LYS 58 HA LYS 58 4.660 -1.838 -16.507 458 1HB LYS 58 2HB LYS 58 6.320 -0.284 -15.613 459 2HB LYS 58 3HB LYS 58 6.796 -1.463 -14.398 460 1HG LYS 58 2HG LYS 58 8.290 -2.297 -15.795 461 2HG LYS 58 3HG LYS 58 7.004 -2.711 -16.931 462 1HD LYS 58 2HD LYS 58 8.122 0.071 -16.789 463 2HD LYS 58 3HD LYS 58 8.910 -1.185 -17.747 464 1HE LYS 58 2HE LYS 58 5.994 -0.860 -18.118 465 2HE LYS 58 3HE LYS 58 7.017 0.442 -18.724 466 1HZ LYS 58 1HZ LYS 58 6.447 -1.582 -20.226 467 2HZ LYS 58 2HZ LYS 58 7.702 -2.337 -19.380 468 3HZ LYS 58 3HZ LYS 58 8.005 -0.922 -20.255 469 H LYS 59 H LYS 59 4.939 -3.253 -13.315 470 HA LYS 59 HA LYS 59 5.932 -5.776 -14.309 471 1HB LYS 59 2HB LYS 59 5.472 -4.536 -11.698 472 2HB LYS 59 3HB LYS 59 5.047 -6.242 -11.739 473 1HG LYS 59 2HG LYS 59 7.217 -6.502 -11.213 474 2HG LYS 59 3HG LYS 59 7.436 -6.344 -12.958 475 1HD LYS 59 2HD LYS 59 7.596 -4.067 -10.983 476 2HD LYS 59 3HD LYS 59 8.987 -4.926 -11.648 477 1HE LYS 59 2HE LYS 59 7.552 -4.235 -13.891 478 2HE LYS 59 3HE LYS 59 7.324 -2.843 -12.833 479 1HZ LYS 59 1HZ LYS 59 9.519 -3.386 -14.400 480 2HZ LYS 59 2HZ LYS 59 10.031 -3.700 -12.819 481 3HZ LYS 59 3HZ LYS 59 9.392 -2.185 -13.215 482 H LEU 60 H LEU 60 2.969 -4.311 -14.335 483 HA LEU 60 HA LEU 60 1.067 -6.055 -13.494 484 1HB LEU 60 2HB LEU 60 -0.392 -5.189 -15.160 485 2HB LEU 60 3HB LEU 60 0.680 -3.886 -14.649 486 HG LEU 60 HG LEU 60 0.505 -3.630 -16.963 487 1HD1 LEU 60 1HD1 LEU 60 2.979 -5.314 -16.620 488 2HD1 LEU 60 2HD1 LEU 60 2.837 -3.638 -16.092 489 3HD1 LEU 60 3HD1 LEU 60 2.707 -4.037 -17.805 490 1HD2 LEU 60 1HD2 LEU 60 -0.191 -5.268 -18.284 491 2HD2 LEU 60 2HD2 LEU 60 -0.044 -6.402 -16.941 492 3HD2 LEU 60 3HD2 LEU 60 1.319 -6.144 -18.031 493 H SER 61 H SER 61 0.350 -8.040 -13.991 494 HA SER 61 HA SER 61 1.626 -9.409 -16.265 495 1HB SER 61 2HB SER 61 0.907 -10.287 -13.512 496 2HB SER 61 3HB SER 61 0.750 -11.475 -14.806 497 HG SER 61 HG SER 61 2.872 -11.242 -13.660 498 H GLU 62 H GLU 62 0.387 -10.740 -17.603 499 HA GLU 62 HA GLU 62 -2.308 -9.878 -17.992 500 1HB GLU 62 2HB GLU 62 -0.364 -11.567 -19.405 501 2HB GLU 62 3HB GLU 62 -2.034 -12.082 -19.596 502 1HG GLU 62 2HG GLU 62 -2.412 -9.529 -20.105 503 2HG GLU 62 3HG GLU 62 -0.698 -9.595 -20.513 504 H LEU 63 H LEU 63 -0.785 -12.822 -16.774 505 HA LEU 63 HA LEU 63 -3.436 -13.915 -16.142 506 1HB LEU 63 2HB LEU 63 -0.779 -15.321 -15.988 507 2HB LEU 63 3HB LEU 63 -2.382 -16.049 -15.915 508 HG LEU 63 HG LEU 63 -1.688 -16.579 -18.052 509 1HD1 LEU 63 1HD1 LEU 63 -3.823 -15.020 -17.835 510 2HD1 LEU 63 2HD1 LEU 63 -3.242 -15.604 -19.394 511 3HD1 LEU 63 3HD1 LEU 63 -2.845 -13.971 -18.860 512 1HD2 LEU 63 1HD2 LEU 63 0.065 -15.615 -19.010 513 2HD2 LEU 63 2HD2 LEU 63 0.099 -14.439 -17.696 514 3HD2 LEU 63 3HD2 LEU 63 -0.809 -14.092 -19.169 515 H HIS 64 H HIS 64 -2.813 -15.609 -14.082 516 HA HIS 64 HA HIS 64 -2.573 -15.726 -11.822 517 1HB HIS 64 2HB HIS 64 -0.756 -13.325 -12.005 518 2HB HIS 64 3HB HIS 64 -0.762 -14.585 -10.775 519 HD1 HIS 64 HD1 HIS 64 -0.480 -17.121 -12.235 520 HD2 HIS 64 HD2 HIS 64 1.457 -13.669 -13.499 521 HE1 HIS 64 HE1 HIS 64 1.447 -17.909 -13.646 522 HA PRO 65 HA PRO 65 -5.683 -12.322 -11.423 523 1HB PRO 65 2HB PRO 65 -7.643 -13.925 -10.443 524 2HB PRO 65 3HB PRO 65 -7.361 -13.701 -12.173 525 1HG PRO 65 2HG PRO 65 -6.495 -15.942 -10.388 526 2HG PRO 65 3HG PRO 65 -7.168 -16.014 -12.027 527 1HD PRO 65 2HD PRO 65 -4.517 -16.249 -11.528 528 2HD PRO 65 3HD PRO 65 -5.147 -15.508 -13.013 529 H GLU 66 H GLU 66 -4.042 -14.464 -9.374 530 HA GLU 66 HA GLU 66 -5.251 -13.969 -6.893 531 1HB GLU 66 2HB GLU 66 -3.054 -15.416 -7.814 532 2HB GLU 66 3HB GLU 66 -2.365 -14.237 -6.707 533 1HG GLU 66 2HG GLU 66 -2.859 -15.702 -5.111 534 2HG GLU 66 3HG GLU 66 -4.523 -15.152 -5.304 535 H GLU 67 H GLU 67 -2.603 -12.290 -8.556 536 HA GLU 67 HA GLU 67 -2.250 -10.366 -6.468 537 1HB GLU 67 2HB GLU 67 -0.804 -9.203 -8.130 538 2HB GLU 67 3HB GLU 67 -0.373 -10.889 -7.878 539 1HG GLU 67 2HG GLU 67 -2.223 -10.831 -9.999 540 2HG GLU 67 3HG GLU 67 -1.053 -9.547 -10.298 541 H ARG 68 H ARG 68 -4.074 -10.518 -9.458 542 HA ARG 68 HA ARG 68 -4.713 -7.812 -9.745 543 1HB ARG 68 2HB ARG 68 -6.556 -10.099 -10.431 544 2HB ARG 68 3HB ARG 68 -6.478 -8.516 -11.192 545 1HG ARG 68 2HG ARG 68 -4.155 -9.108 -11.945 546 2HG ARG 68 3HG ARG 68 -4.476 -10.749 -11.381 547 1HD ARG 68 2HD ARG 68 -5.727 -9.240 -13.641 548 2HD ARG 68 3HD ARG 68 -5.021 -10.856 -13.634 549 HE ARG 68 HE ARG 68 -7.137 -11.132 -11.992 550 1HH1 ARG 68 2HH1 ARG 68 -6.788 -9.801 -15.190 551 2HH1 ARG 68 1HH1 ARG 68 -8.395 -10.221 -15.682 552 1HH2 ARG 68 2HH2 ARG 68 -9.255 -11.691 -12.628 553 2HH2 ARG 68 1HH2 ARG 68 -9.798 -11.296 -14.223 554 H LYS 69 H LYS 69 -6.489 -10.398 -8.066 555 HA LYS 69 HA LYS 69 -8.578 -8.732 -7.135 556 1HB LYS 69 2HB LYS 69 -9.121 -10.594 -5.627 557 2HB LYS 69 3HB LYS 69 -8.829 -11.155 -7.268 558 1HG LYS 69 2HG LYS 69 -6.558 -11.830 -6.614 559 2HG LYS 69 3HG LYS 69 -6.901 -11.316 -4.960 560 1HD LYS 69 2HD LYS 69 -8.547 -13.371 -6.423 561 2HD LYS 69 3HD LYS 69 -7.156 -13.785 -5.418 562 1HE LYS 69 2HE LYS 69 -9.161 -12.007 -4.185 563 2HE LYS 69 3HE LYS 69 -9.690 -13.658 -4.504 564 1HZ LYS 69 1HZ LYS 69 -7.580 -12.701 -2.699 565 2HZ LYS 69 2HZ LYS 69 -7.439 -14.245 -3.376 566 3HZ LYS 69 3HZ LYS 69 -8.784 -13.858 -2.426 567 H LYS 70 H LYS 70 -5.499 -9.742 -5.737 568 HA LYS 70 HA LYS 70 -5.836 -8.798 -3.143 569 1HB LYS 70 2HB LYS 70 -3.909 -10.165 -4.056 570 2HB LYS 70 3HB LYS 70 -3.250 -8.665 -4.695 571 1HG LYS 70 2HG LYS 70 -2.128 -8.970 -2.682 572 2HG LYS 70 3HG LYS 70 -3.388 -7.795 -2.294 573 1HD LYS 70 2HD LYS 70 -3.319 -9.425 -0.539 574 2HD LYS 70 3HD LYS 70 -4.796 -9.684 -1.471 575 1HE LYS 70 2HE LYS 70 -3.921 -11.593 -2.525 576 2HE LYS 70 3HE LYS 70 -2.270 -11.202 -2.050 577 1HZ LYS 70 1HZ LYS 70 -3.109 -11.508 0.315 578 2HZ LYS 70 2HZ LYS 70 -2.914 -12.904 -0.618 579 3HZ LYS 70 3HZ LYS 70 -4.459 -12.262 -0.372 580 H VAL 71 H VAL 71 -4.400 -7.100 -5.930 581 HA VAL 71 HA VAL 71 -4.069 -4.635 -4.580 582 HB VAL 71 HB VAL 71 -3.726 -3.655 -6.803 583 1HG1 VAL 71 1HG1 VAL 71 -2.348 -6.306 -6.876 584 2HG1 VAL 71 2HG1 VAL 71 -1.707 -4.699 -7.224 585 3HG1 VAL 71 3HG1 VAL 71 -2.029 -5.179 -5.558 586 1HG2 VAL 71 1HG2 VAL 71 -5.465 -4.873 -8.008 587 2HG2 VAL 71 2HG2 VAL 71 -3.904 -5.038 -8.813 588 3HG2 VAL 71 3HG2 VAL 71 -4.542 -6.367 -7.845 589 H ARG 72 H ARG 72 -6.697 -6.030 -6.437 590 HA ARG 72 HA ARG 72 -8.227 -3.759 -6.922 591 1HB ARG 72 2HB ARG 72 -8.577 -6.583 -7.080 592 2HB ARG 72 3HB ARG 72 -9.982 -5.906 -6.269 593 1HG ARG 72 2HG ARG 72 -10.525 -5.937 -8.548 594 2HG ARG 72 3HG ARG 72 -10.120 -4.257 -8.188 595 1HD ARG 72 2HD ARG 72 -7.802 -4.740 -9.016 596 2HD ARG 72 3HD ARG 72 -8.393 -6.311 -9.556 597 HE ARG 72 HE ARG 72 -8.821 -3.779 -10.821 598 1HH1 ARG 72 2HH1 ARG 72 -10.138 -6.966 -10.340 599 2HH1 ARG 72 1HH1 ARG 72 -11.055 -6.951 -11.810 600 1HH2 ARG 72 2HH2 ARG 72 -10.025 -3.747 -12.759 601 2HH2 ARG 72 1HH2 ARG 72 -10.990 -5.120 -13.185 602 H GLU 73 H GLU 73 -8.427 -5.996 -4.153 603 HA GLU 73 HA GLU 73 -10.346 -4.431 -2.757 604 1HB GLU 73 2HB GLU 73 -9.815 -5.906 -0.838 605 2HB GLU 73 3HB GLU 73 -10.164 -6.799 -2.311 606 1HG GLU 73 2HG GLU 73 -7.729 -7.046 -2.682 607 2HG GLU 73 3HG GLU 73 -7.451 -6.267 -1.125 608 H LYS 74 H LYS 74 -6.828 -4.757 -2.540 609 HA LYS 74 HA LYS 74 -6.374 -3.199 -0.283 610 1HB LYS 74 2HB LYS 74 -4.779 -4.563 -1.969 611 2HB LYS 74 3HB LYS 74 -4.445 -2.926 -2.519 612 1HG LYS 74 2HG LYS 74 -4.101 -3.987 0.277 613 2HG LYS 74 3HG LYS 74 -2.821 -3.582 -0.869 614 1HD LYS 74 2HD LYS 74 -4.831 -1.623 0.240 615 2HD LYS 74 3HD LYS 74 -3.184 -1.829 0.841 616 1HE LYS 74 2HE LYS 74 -3.883 -1.085 -1.996 617 2HE LYS 74 3HE LYS 74 -3.464 0.078 -0.739 618 1HZ LYS 74 1HZ LYS 74 -1.359 -1.372 -0.508 619 2HZ LYS 74 2HZ LYS 74 -1.462 -0.272 -1.789 620 3HZ LYS 74 3HZ LYS 74 -1.750 -1.917 -2.061 621 H PHE 75 H PHE 75 -6.357 -2.173 -3.696 622 HA PHE 75 HA PHE 75 -6.002 0.574 -3.132 623 1HB PHE 75 2HB PHE 75 -5.795 0.719 -5.359 624 2HB PHE 75 3HB PHE 75 -6.076 -1.018 -5.421 625 HD1 PHE 75 HD1 PHE 75 -7.675 2.287 -5.706 626 HD2 PHE 75 HD2 PHE 75 -8.098 -1.910 -6.273 627 HE1 PHE 75 HE1 PHE 75 -9.734 2.672 -6.997 628 HE2 PHE 75 HE2 PHE 75 -10.157 -1.532 -7.565 629 HZ PHE 75 HZ PHE 75 -10.977 0.762 -7.930 630 H ASP 76 H ASP 76 -8.834 -1.463 -3.451 631 HA ASP 76 HA ASP 76 -10.810 0.482 -3.727 632 1HB ASP 76 2HB ASP 76 -10.688 -2.327 -3.089 633 2HB ASP 76 3HB ASP 76 -11.886 -1.529 -2.074 634 H GLU 77 H GLU 77 -9.557 -1.004 -0.739 635 HA GLU 77 HA GLU 77 -11.085 0.650 0.990 636 1HB GLU 77 2HB GLU 77 -9.521 -0.191 2.756 637 2HB GLU 77 3HB GLU 77 -10.302 -1.456 1.817 638 1HG GLU 77 2HG GLU 77 -8.254 -1.638 0.442 639 2HG GLU 77 3HG GLU 77 -7.480 -0.463 1.503 640 H ASN 78 H ASN 78 -7.712 0.756 -0.109 641 HA ASN 78 HA ASN 78 -6.783 2.875 1.393 642 1HB ASN 78 2HB ASN 78 -6.025 1.566 -1.102 643 2HB ASN 78 3HB ASN 78 -5.599 3.274 -1.083 644 1HD2 ASN 78 1HD2 ASN 78 -3.685 3.722 -0.290 645 2HD2 ASN 78 2HD2 ASN 78 -2.807 2.774 0.857 646 H SER 79 H SER 79 -8.683 2.938 -1.579 647 HA SER 79 HA SER 79 -8.573 5.787 -1.855 648 1HB SER 79 2HB SER 79 -10.419 5.382 -3.547 649 2HB SER 79 3HB SER 79 -8.908 4.526 -3.856 650 HG SER 79 HG SER 79 -10.637 3.108 -4.096 651 H ARG 80 H ARG 80 -10.966 3.470 -0.648 652 HA ARG 80 HA ARG 80 -12.941 5.436 -0.061 653 1HB ARG 80 2HB ARG 80 -14.245 3.696 0.662 654 2HB ARG 80 3HB ARG 80 -13.104 2.810 -0.341 655 1HG ARG 80 2HG ARG 80 -12.972 1.502 1.486 656 2HG ARG 80 3HG ARG 80 -11.796 2.717 1.992 657 1HD ARG 80 2HD ARG 80 -13.132 3.512 3.617 658 2HD ARG 80 3HD ARG 80 -14.584 3.368 2.629 659 HE ARG 80 HE ARG 80 -13.801 0.795 3.322 660 1HH1 ARG 80 2HH1 ARG 80 -14.903 3.693 4.906 661 2HH1 ARG 80 1HH1 ARG 80 -15.649 2.847 6.221 662 1HH2 ARG 80 2HH2 ARG 80 -14.781 -0.331 5.047 663 2HH2 ARG 80 1HH2 ARG 80 -15.579 0.558 6.301 664 H MET 81 H MET 81 -10.010 4.737 1.372 665 HA MET 81 HA MET 81 -10.255 4.740 4.056 666 1HB MET 81 2HB MET 81 -8.351 6.155 2.241 667 2HB MET 81 3HB MET 81 -8.270 6.480 3.967 668 1HG MET 81 2HG MET 81 -8.107 3.734 2.751 669 2HG MET 81 3HG MET 81 -6.711 4.720 3.179 670 1HE MET 81 1HE MET 81 -8.287 1.590 5.586 671 2HE MET 81 2HE MET 81 -9.701 2.426 4.946 672 3HE MET 81 3HE MET 81 -8.401 1.933 3.860 673 H GLN 82 H GLN 82 -10.522 6.254 5.721 674 HA GLN 82 HA GLN 82 -12.543 8.140 5.376 675 1HB GLN 82 2HB GLN 82 -10.468 8.028 7.572 676 2HB GLN 82 3HB GLN 82 -11.991 8.905 7.644 677 1HG GLN 82 2HG GLN 82 -11.835 5.933 7.240 678 2HG GLN 82 3HG GLN 82 -11.923 6.688 8.831 679 1HE2 GLN 82 1HE2 GLN 82 -13.738 8.454 8.864 680 2HE2 GLN 82 2HE2 GLN 82 -15.270 7.911 8.280 681 H TYR 83 H TYR 83 -12.351 10.503 5.933 682 HA TYR 83 HA TYR 83 -10.709 11.788 4.039 683 1HB TYR 83 2HB TYR 83 -12.877 12.496 5.683 684 2HB TYR 83 3HB TYR 83 -11.574 13.598 6.115 685 HD1 TYR 83 HD1 TYR 83 -14.107 12.801 3.703 686 HD2 TYR 83 HD2 TYR 83 -10.468 14.935 4.262 687 HE1 TYR 83 HE1 TYR 83 -14.602 14.155 1.711 688 HE2 TYR 83 HE2 TYR 83 -10.955 16.296 2.272 689 HH TYR 83 HH TYR 83 -13.197 16.984 1.015 690 H SER 84 H SER 84 -10.359 11.212 7.484 691 HA SER 84 HA SER 84 -8.267 12.978 8.036 692 1HB SER 84 2HB SER 84 -8.416 10.273 9.332 693 2HB SER 84 3HB SER 84 -7.994 11.826 10.051 694 HG SER 84 HG SER 84 -10.216 10.820 10.396 695 H GLU 85 H GLU 85 -8.114 9.535 7.130 696 HA GLU 85 HA GLU 85 -5.285 9.453 6.981 697 1HB GLU 85 2HB GLU 85 -7.320 7.588 6.906 698 2HB GLU 85 3HB GLU 85 -6.680 7.537 5.269 699 1HG GLU 85 2HG GLU 85 -5.600 5.890 6.682 700 2HG GLU 85 3HG GLU 85 -4.449 7.109 6.138 701 H LEU 86 H LEU 86 -7.797 10.283 4.704 702 HA LEU 86 HA LEU 86 -6.181 10.147 2.363 703 1HB LEU 86 2HB LEU 86 -8.853 10.428 2.867 704 2HB LEU 86 3HB LEU 86 -8.411 12.044 2.321 705 HG LEU 86 HG LEU 86 -9.260 10.697 0.482 706 1HD1 LEU 86 1HD1 LEU 86 -6.290 11.155 0.247 707 2HD1 LEU 86 2HD1 LEU 86 -7.534 12.388 0.045 708 3HD1 LEU 86 3HD1 LEU 86 -7.443 11.035 -1.083 709 1HD2 LEU 86 1HD2 LEU 86 -7.758 8.645 1.709 710 2HD2 LEU 86 2HD2 LEU 86 -7.078 8.900 0.101 711 3HD2 LEU 86 3HD2 LEU 86 -8.795 8.538 0.286 712 H MET 87 H MET 87 -7.062 12.730 4.607 713 HA MET 87 HA MET 87 -5.664 14.749 3.106 714 1HB MET 87 2HB MET 87 -7.447 14.654 5.384 715 2HB MET 87 3HB MET 87 -6.069 15.696 5.711 716 1HG MET 87 2HG MET 87 -7.981 16.912 4.774 717 2HG MET 87 3HG MET 87 -6.543 17.019 3.761 718 1HE MET 87 1HE MET 87 -6.734 15.311 0.948 719 2HE MET 87 2HE MET 87 -7.767 16.698 0.601 720 3HE MET 87 3HE MET 87 -6.416 16.863 1.723 721 H THR 88 H THR 88 -4.906 12.498 5.615 722 HA THR 88 HA THR 88 -2.583 13.871 6.587 723 HB THR 88 HB THR 88 -3.491 11.008 6.932 724 HG1 THR 88 HG1 THR 88 -3.856 11.887 9.122 725 1HG2 THR 88 1HG2 THR 88 -1.175 10.886 7.264 726 2HG2 THR 88 2HG2 THR 88 -1.823 11.125 8.887 727 3HG2 THR 88 3HG2 THR 88 -1.107 12.480 8.014 728 H LYS 89 H LYS 89 -3.122 11.057 4.479 729 HA LYS 89 HA LYS 89 -0.403 10.550 3.940 730 1HB LYS 89 2HB LYS 89 -2.865 9.405 3.251 731 2HB LYS 89 3HB LYS 89 -2.126 9.854 1.719 732 1HG LYS 89 2HG LYS 89 -1.322 7.729 2.002 733 2HG LYS 89 3HG LYS 89 -0.020 8.682 2.718 734 1HD LYS 89 2HD LYS 89 -2.196 7.889 4.546 735 2HD LYS 89 3HD LYS 89 -1.185 6.577 3.937 736 1HE LYS 89 2HE LYS 89 0.499 8.747 4.684 737 2HE LYS 89 3HE LYS 89 -0.621 8.431 6.008 738 1HZ LYS 89 1HZ LYS 89 1.130 6.418 4.703 739 2HZ LYS 89 2HZ LYS 89 0.049 6.107 5.966 740 3HZ LYS 89 3HZ LYS 89 1.385 7.112 6.225 741 H TYR 90 H TYR 90 -2.360 13.117 3.012 742 HA TYR 90 HA TYR 90 -0.719 13.678 0.636 743 1HB TYR 90 2HB TYR 90 -2.970 13.762 -0.023 744 2HB TYR 90 3HB TYR 90 -3.472 14.559 1.463 745 HD1 TYR 90 HD1 TYR 90 -3.210 16.957 1.741 746 HD2 TYR 90 HD2 TYR 90 -1.983 15.030 -1.848 747 HE1 TYR 90 HE1 TYR 90 -3.068 19.143 0.623 748 HE2 TYR 90 HE2 TYR 90 -1.837 17.211 -2.976 749 HH TYR 90 HH TYR 90 -1.556 19.976 -1.605 750 H HIS 91 H HIS 91 -2.015 15.150 3.589 751 HA HIS 91 HA HIS 91 -0.418 17.532 3.261 752 1HB HIS 91 2HB HIS 91 -2.745 17.302 4.406 753 2HB HIS 91 3HB HIS 91 -1.819 16.776 5.808 754 HD1 HIS 91 HD1 HIS 91 -1.337 19.667 3.369 755 HD2 HIS 91 HD2 HIS 91 -1.577 18.901 7.446 756 HE1 HIS 91 HE1 HIS 91 -0.972 21.887 4.493 757 H ASP 92 H ASP 92 0.044 14.429 4.548 758 HA ASP 92 HA ASP 92 2.182 15.311 6.346 759 1HB ASP 92 2HB ASP 92 0.358 13.516 6.907 760 2HB ASP 92 3HB ASP 92 1.399 12.442 5.976 761 H LEU 93 H LEU 93 1.680 12.927 3.743 762 HA LEU 93 HA LEU 93 4.331 12.177 3.396 763 1HB LEU 93 2HB LEU 93 2.061 12.344 1.428 764 2HB LEU 93 3HB LEU 93 3.627 11.636 1.035 765 HG LEU 93 HG LEU 93 1.599 10.627 3.023 766 1HD1 LEU 93 1HD1 LEU 93 2.343 9.975 0.278 767 2HD1 LEU 93 2HD1 LEU 93 0.885 9.578 1.186 768 3HD1 LEU 93 3HD1 LEU 93 2.329 8.581 1.359 769 1HD2 LEU 93 1HD2 LEU 93 3.757 10.350 4.035 770 2HD2 LEU 93 2HD2 LEU 93 4.432 9.718 2.533 771 3HD2 LEU 93 3HD2 LEU 93 3.223 8.787 3.418 772 H LYS 94 H LYS 94 2.713 15.088 2.482 773 HA LYS 94 HA LYS 94 4.459 15.938 0.427 774 1HB LYS 94 2HB LYS 94 3.558 18.233 1.004 775 2HB LYS 94 3HB LYS 94 2.353 17.022 0.586 776 1HG LYS 94 2HG LYS 94 1.314 17.724 2.432 777 2HG LYS 94 3HG LYS 94 2.497 16.730 3.286 778 1HD LYS 94 2HD LYS 94 3.453 19.414 2.608 779 2HD LYS 94 3HD LYS 94 2.075 19.398 3.711 780 1HE LYS 94 2HE LYS 94 3.687 17.420 4.724 781 2HE LYS 94 3HE LYS 94 4.854 18.615 4.158 782 1HZ LYS 94 1HZ LYS 94 2.551 19.487 5.765 783 2HZ LYS 94 2HZ LYS 94 4.081 20.192 5.616 784 3HZ LYS 94 3HZ LYS 94 3.884 18.787 6.537 785 H LYS 95 H LYS 95 4.941 15.571 3.739 786 HA LYS 95 HA LYS 95 6.663 17.733 4.305 787 1HB LYS 95 2HB LYS 95 5.580 16.204 5.989 788 2HB LYS 95 3HB LYS 95 6.762 14.980 5.545 789 1HG LYS 95 2HG LYS 95 7.787 15.880 7.366 790 2HG LYS 95 3HG LYS 95 8.469 16.904 6.100 791 1HD LYS 95 2HD LYS 95 5.914 17.788 7.310 792 2HD LYS 95 3HD LYS 95 7.355 17.888 8.325 793 1HE LYS 95 2HE LYS 95 8.366 18.980 6.132 794 2HE LYS 95 3HE LYS 95 6.670 19.357 5.833 795 1HZ LYS 95 1HZ LYS 95 8.483 20.594 7.626 796 2HZ LYS 95 2HZ LYS 95 7.137 20.014 8.470 797 3HZ LYS 95 3HZ LYS 95 6.927 21.083 7.176 798 H GLN 96 H GLN 96 7.215 14.541 2.927 799 HA GLN 96 HA GLN 96 10.033 15.280 2.493 800 1HB GLN 96 2HB GLN 96 8.851 12.501 2.613 801 2HB GLN 96 3HB GLN 96 10.552 12.901 2.423 802 1HG GLN 96 2HG GLN 96 8.912 13.653 4.828 803 2HG GLN 96 3HG GLN 96 9.890 12.191 4.715 804 1HE2 GLN 96 1HE2 GLN 96 12.208 12.693 3.925 805 2HE2 GLN 96 2HE2 GLN 96 12.993 14.000 4.739 806 H GLY 97 H GLY 97 7.059 14.240 1.038 807 1HA GLY 97 2HA GLY 97 8.393 14.017 -1.581 808 2HA GLY 97 3HA GLY 97 6.822 13.335 -1.186 809 H LYS 98 H LYS 98 6.271 14.444 -3.247 810 HA LYS 98 HA LYS 98 5.127 17.044 -2.639 811 1HB LYS 98 2HB LYS 98 5.992 17.838 -4.961 812 2HB LYS 98 3HB LYS 98 7.060 17.931 -3.567 813 1HG LYS 98 2HG LYS 98 8.285 17.083 -5.443 814 2HG LYS 98 3HG LYS 98 8.086 15.791 -4.256 815 1HD LYS 98 2HD LYS 98 6.420 14.728 -5.549 816 2HD LYS 98 3HD LYS 98 6.219 16.140 -6.590 817 1HE LYS 98 2HE LYS 98 8.355 15.790 -7.596 818 2HE LYS 98 3HE LYS 98 8.770 14.547 -6.417 819 1HZ LYS 98 1HZ LYS 98 6.750 13.324 -7.344 820 2HZ LYS 98 2HZ LYS 98 8.146 13.365 -8.298 821 3HZ LYS 98 3HZ LYS 98 6.849 14.391 -8.654 822 H ILE 99 H ILE 99 3.797 17.811 -4.615 823 HA ILE 99 HA ILE 99 2.745 15.592 -6.191 824 HB ILE 99 HB ILE 99 1.270 15.450 -4.346 825 1HG1 ILE 99 2HG1 ILE 99 -0.106 17.212 -6.385 826 2HG1 ILE 99 3HG1 ILE 99 0.207 15.493 -6.603 827 1HG2 ILE 99 1HG2 ILE 99 1.866 17.565 -3.278 828 2HG2 ILE 99 2HG2 ILE 99 0.948 18.444 -4.500 829 3HG2 ILE 99 3HG2 ILE 99 0.116 17.369 -3.376 830 1HD1 ILE 99 1HD1 ILE 99 -1.912 15.356 -5.845 831 2HD1 ILE 99 2HD1 ILE 99 -1.094 15.385 -4.283 832 3HD1 ILE 99 3HD1 ILE 99 -1.804 16.862 -4.934 833 H LYS 100 H LYS 100 1.873 16.196 -8.136 834 HA LYS 100 HA LYS 100 1.798 19.083 -8.715 835 1HB LYS 100 2HB LYS 100 2.745 16.915 -10.598 836 2HB LYS 100 3HB LYS 100 2.699 18.641 -10.934 837 1HG LYS 100 2HG LYS 100 4.220 17.968 -8.539 838 2HG LYS 100 3HG LYS 100 4.865 17.247 -10.016 839 1HD LYS 100 2HD LYS 100 5.897 19.227 -10.272 840 2HD LYS 100 3HD LYS 100 4.323 19.785 -10.842 841 1HE LYS 100 2HE LYS 100 4.828 21.372 -9.250 842 2HE LYS 100 3HE LYS 100 3.875 20.222 -8.312 843 1HZ LYS 100 1HZ LYS 100 6.322 19.233 -7.979 844 2HZ LYS 100 2HZ LYS 100 5.621 20.356 -6.926 845 3HZ LYS 100 3HZ LYS 100 6.695 20.877 -8.125 846 H ASP 101 H ASP 101 0.127 19.819 -9.957 847 HA ASP 101 HA ASP 101 -2.016 17.887 -10.484 848 1HB ASP 101 2HB ASP 101 -2.650 19.755 -9.065 849 2HB ASP 101 3HB ASP 101 -2.075 20.904 -10.272 850 H ARG 102 H ARG 102 -1.434 17.034 -12.455 851 HA ARG 102 HA ARG 102 -0.664 18.704 -14.661 852 1HB ARG 102 2HB ARG 102 -1.187 15.777 -14.293 853 2HB ARG 102 3HB ARG 102 -1.083 16.444 -15.916 854 1HG ARG 102 2HG ARG 102 1.066 16.789 -13.841 855 2HG ARG 102 3HG ARG 102 1.039 15.474 -15.018 856 1HD ARG 102 2HD ARG 102 1.018 17.142 -16.835 857 2HD ARG 102 3HD ARG 102 1.127 18.425 -15.631 858 HE ARG 102 HE ARG 102 3.237 16.548 -15.329 859 1HH1 ARG 102 2HH1 ARG 102 2.165 19.226 -17.277 860 2HH1 ARG 102 1HH1 ARG 102 3.766 19.702 -17.737 861 1HH2 ARG 102 2HH2 ARG 102 5.350 17.164 -15.927 862 2HH2 ARG 102 1HH2 ARG 102 5.577 18.528 -16.969 863 HA PRO 103 HA PRO 103 -4.561 19.613 -16.459 864 1HB PRO 103 2HB PRO 103 -4.037 19.378 -19.112 865 2HB PRO 103 3HB PRO 103 -3.424 20.711 -18.126 866 1HG PRO 103 2HG PRO 103 -2.034 18.209 -19.005 867 2HG PRO 103 3HG PRO 103 -1.423 19.873 -18.965 868 1HD PRO 103 2HD PRO 103 -0.818 18.053 -17.053 869 2HD PRO 103 3HD PRO 103 -0.973 19.787 -16.706 870 H VAL 104 H VAL 104 -6.410 18.534 -16.783 871 HA VAL 104 HA VAL 104 -6.422 15.701 -17.042 872 HB VAL 104 HB VAL 104 -8.161 17.019 -15.816 873 1HG1 VAL 104 1HG1 VAL 104 -9.972 18.043 -17.062 874 2HG1 VAL 104 2HG1 VAL 104 -8.436 18.795 -17.497 875 3HG1 VAL 104 3HG1 VAL 104 -9.188 17.628 -18.586 876 1HG2 VAL 104 1HG2 VAL 104 -10.077 15.632 -16.633 877 2HG2 VAL 104 2HG2 VAL 104 -9.048 15.099 -17.963 878 3HG2 VAL 104 3HG2 VAL 104 -8.604 14.721 -16.299 879 H LYS 105 H LYS 105 -6.787 14.416 -18.771 880 HA LYS 105 HA LYS 105 -6.635 15.647 -21.395 881 1HB LYS 105 2HB LYS 105 -6.295 12.883 -20.316 882 2HB LYS 105 3HB LYS 105 -6.674 13.079 -22.022 883 1HG LYS 105 2HG LYS 105 -4.373 14.477 -20.687 884 2HG LYS 105 3HG LYS 105 -4.234 12.890 -21.448 885 1HD LYS 105 2HD LYS 105 -4.679 13.748 -23.581 886 2HD LYS 105 3HD LYS 105 -5.358 15.244 -22.935 887 1HE LYS 105 2HE LYS 105 -3.202 15.748 -23.825 888 2HE LYS 105 3HE LYS 105 -3.083 15.806 -22.067 889 1HZ LYS 105 1HZ LYS 105 -1.723 14.030 -22.012 890 2HZ LYS 105 2HZ LYS 105 -1.370 14.486 -23.601 891 3HZ LYS 105 3HZ LYS 105 -2.482 13.246 -23.305 892 H GLU 106 H GLU 106 -8.235 15.731 -22.874 893 HA GLU 106 HA GLU 106 -10.919 15.228 -22.008 894 1HB GLU 106 2HB GLU 106 -9.877 16.048 -24.725 895 2HB GLU 106 3HB GLU 106 -11.561 16.083 -24.223 896 1HG GLU 106 2HG GLU 106 -9.475 17.617 -22.726 897 2HG GLU 106 3HG GLU 106 -10.217 18.267 -24.187 898 H VAL 107 H VAL 107 -12.281 13.606 -22.553 899 HA VAL 107 HA VAL 107 -11.144 11.406 -24.146 900 HB VAL 107 HB VAL 107 -12.953 11.451 -21.775 901 1HG1 VAL 107 1HG1 VAL 107 -13.026 9.413 -23.980 902 2HG1 VAL 107 2HG1 VAL 107 -13.501 9.024 -22.325 903 3HG1 VAL 107 3HG1 VAL 107 -14.372 10.266 -23.226 904 1HG2 VAL 107 1HG2 VAL 107 -11.052 10.661 -20.919 905 2HG2 VAL 107 2HG2 VAL 107 -11.394 9.162 -21.784 906 3HG2 VAL 107 3HG2 VAL 107 -10.359 10.387 -22.517 907 H HIS 108 H HIS 108 -12.272 10.541 -25.831 908 HA HIS 108 HA HIS 108 -14.774 11.912 -26.566 909 1HB HIS 108 2HB HIS 108 -12.625 10.720 -28.328 910 2HB HIS 108 3HB HIS 108 -14.170 11.316 -28.926 911 HD1 HIS 108 HD1 HIS 108 -14.533 13.890 -28.913 912 HD2 HIS 108 HD2 HIS 108 -10.754 12.680 -27.679 913 HE1 HIS 108 HE1 HIS 108 -13.122 15.971 -28.930 914 H GLU 109 H GLU 109 -16.038 10.489 -28.243 915 HA GLU 109 HA GLU 109 -16.723 8.067 -26.846 916 1HB GLU 109 2HB GLU 109 -17.826 9.199 -29.424 917 2HB GLU 109 3HB GLU 109 -18.526 7.878 -28.500 918 1HG GLU 109 2HG GLU 109 -19.815 9.525 -27.677 919 2HG GLU 109 3HG GLU 109 -18.446 9.747 -26.589 920 H GLU 110 H GLU 110 -15.795 6.169 -27.187 921 HA GLU 110 HA GLU 110 -15.536 4.838 -29.565 922 1HB GLU 110 2HB GLU 110 -13.540 6.881 -29.336 923 2HB GLU 110 3HB GLU 110 -12.756 5.308 -29.286 924 1HG GLU 110 2HG GLU 110 -13.235 4.847 -31.435 925 2HG GLU 110 3HG GLU 110 -14.803 5.649 -31.372 926 H TYR 111 H TYR 111 -13.263 3.347 -29.335 927 HA TYR 111 HA TYR 111 -13.485 2.226 -26.618 928 1HB TYR 111 2HB TYR 111 -13.096 0.812 -29.260 929 2HB TYR 111 3HB TYR 111 -12.925 0.024 -27.696 930 HD1 TYR 111 HD1 TYR 111 -14.800 -0.842 -26.590 931 HD2 TYR 111 HD2 TYR 111 -15.352 1.867 -29.823 932 HE1 TYR 111 HE1 TYR 111 -17.216 -1.296 -26.549 933 HE2 TYR 111 HE2 TYR 111 -17.771 1.422 -29.791 934 HH TYR 111 HH TYR 111 -19.403 0.295 -27.447 935 H ASP 112 H ASP 112 -11.718 3.444 -25.859 936 HA ASP 112 HA ASP 112 -9.111 2.525 -26.880 937 1HB ASP 112 2HB ASP 112 -10.079 5.260 -26.261 938 2HB ASP 112 3HB ASP 112 -8.437 4.875 -25.752 939 H LEU 113 H LEU 113 -10.307 4.314 -24.036 940 HA LEU 113 HA LEU 113 -8.432 3.256 -22.250 941 1HB LEU 113 2HB LEU 113 -9.871 4.111 -20.485 942 2HB LEU 113 3HB LEU 113 -9.697 5.280 -21.792 943 HG LEU 113 HG LEU 113 -12.063 3.560 -22.015 944 1HD1 LEU 113 1HD1 LEU 113 -13.275 4.323 -20.208 945 2HD1 LEU 113 2HD1 LEU 113 -12.195 5.688 -19.923 946 3HD1 LEU 113 3HD1 LEU 113 -11.686 4.055 -19.492 947 1HD2 LEU 113 1HD2 LEU 113 -11.230 5.828 -23.185 948 2HD2 LEU 113 2HD2 LEU 113 -12.220 6.505 -21.892 949 3HD2 LEU 113 3HD2 LEU 113 -12.928 5.374 -23.046 950 H TRP 114 H TRP 114 -9.739 2.280 -20.066 951 HA TRP 114 HA TRP 114 -9.954 -0.452 -20.625 952 1HB TRP 114 2HB TRP 114 -10.698 1.243 -18.261 953 2HB TRP 114 3HB TRP 114 -11.108 -0.469 -18.287 954 HD1 TRP 114 HD1 TRP 114 -8.628 1.535 -16.795 955 HE1 TRP 114 HE1 TRP 114 -6.372 0.327 -16.521 956 HE3 TRP 114 HE3 TRP 114 -9.371 -2.324 -20.065 957 HZ2 TRP 114 HZ2 TRP 114 -5.078 -1.959 -17.555 958 HZ3 TRP 114 HZ3 TRP 114 -7.574 -3.978 -20.366 959 HH2 TRP 114 HH2 TRP 114 -5.472 -3.797 -19.136 960 H GLU 115 H GLU 115 -12.460 2.009 -20.155 961 HA GLU 115 HA GLU 115 -14.741 1.907 -20.376 962 1HB GLU 115 2HB GLU 115 -13.502 0.833 -22.842 963 2HB GLU 115 3HB GLU 115 -15.230 0.561 -22.665 964 1HG GLU 115 2HG GLU 115 -14.421 3.293 -22.057 965 2HG GLU 115 3HG GLU 115 -14.059 2.799 -23.710 966 H ASP 116 H ASP 116 -14.792 0.440 -18.462 967 HA ASP 116 HA ASP 116 -16.610 -1.642 -18.841 968 1HB ASP 116 2HB ASP 116 -13.861 -2.418 -19.240 969 2HB ASP 116 3HB ASP 116 -14.529 -3.253 -17.841 970 HA PRO 117 HA PRO 117 -15.037 -1.786 -14.282 971 1HB PRO 117 2HB PRO 117 -12.820 -0.343 -13.671 972 2HB PRO 117 3HB PRO 117 -12.753 -2.023 -14.218 973 1HG PRO 117 2HG PRO 117 -12.317 0.496 -15.777 974 2HG PRO 117 3HG PRO 117 -11.398 -1.020 -15.820 975 1HD PRO 117 2HD PRO 117 -13.248 -0.385 -17.692 976 2HD PRO 117 3HD PRO 117 -12.932 -2.059 -17.191 977 H ILE 118 H ILE 118 -14.001 1.344 -15.657 978 HA ILE 118 HA ILE 118 -15.298 2.818 -13.554 979 HB ILE 118 HB ILE 118 -14.405 4.759 -14.496 980 1HG1 ILE 118 2HG1 ILE 118 -15.358 4.391 -16.766 981 2HG1 ILE 118 3HG1 ILE 118 -13.710 5.006 -16.803 982 1HG2 ILE 118 1HG2 ILE 118 -12.666 3.280 -13.664 983 2HG2 ILE 118 2HG2 ILE 118 -12.526 2.526 -15.251 984 3HG2 ILE 118 3HG2 ILE 118 -12.074 4.217 -15.036 985 1HD1 ILE 118 1HD1 ILE 118 -13.949 3.311 -18.469 986 2HD1 ILE 118 2HD1 ILE 118 -12.916 2.690 -17.181 987 3HD1 ILE 118 3HD1 ILE 118 -14.599 2.176 -17.288 988 H TRP 119 H TRP 119 -16.282 1.462 -16.493 989 HA TRP 119 HA TRP 119 -18.363 3.398 -17.045 990 1HB TRP 119 2HB TRP 119 -17.105 2.037 -18.804 991 2HB TRP 119 3HB TRP 119 -18.082 0.665 -18.289 992 HD1 TRP 119 HD1 TRP 119 -20.095 0.308 -19.809 993 HE1 TRP 119 HE1 TRP 119 -21.649 1.805 -21.212 994 HE3 TRP 119 HE3 TRP 119 -18.035 4.860 -18.725 995 HZ2 TRP 119 HZ2 TRP 119 -21.961 4.552 -21.783 996 HZ3 TRP 119 HZ3 TRP 119 -19.021 6.873 -19.741 997 HH2 TRP 119 HH2 TRP 119 -20.943 6.719 -21.239 998 H GLN 120 H GLN 120 -17.988 0.462 -15.270 999 HA GLN 120 HA GLN 120 -20.815 0.590 -14.514 1000 1HB GLN 120 2HB GLN 120 -20.633 -1.162 -16.223 1001 2HB GLN 120 3HB GLN 120 -19.372 -1.952 -15.287 1002 1HG GLN 120 2HG GLN 120 -20.850 -2.667 -13.654 1003 2HG GLN 120 3HG GLN 120 -22.066 -1.467 -14.090 1004 1HE2 GLN 120 1HE2 GLN 120 -20.617 -4.521 -14.931 1005 2HE2 GLN 120 2HE2 GLN 120 -21.869 -5.048 -15.997 1006 H TYR 121 H TYR 121 -17.899 -1.356 -13.840 1007 HA TYR 121 HA TYR 121 -18.417 -1.963 -11.206 1008 1HB TYR 121 2HB TYR 121 -16.376 -2.501 -12.872 1009 2HB TYR 121 3HB TYR 121 -15.600 -1.292 -11.855 1010 HD1 TYR 121 HD1 TYR 121 -17.919 -4.171 -11.255 1011 HD2 TYR 121 HD2 TYR 121 -14.281 -2.223 -10.218 1012 HE1 TYR 121 HE1 TYR 121 -17.491 -5.891 -9.550 1013 HE2 TYR 121 HE2 TYR 121 -13.842 -3.939 -8.511 1014 HH TYR 121 HH TYR 121 -14.846 -6.670 -8.346 1015 H ILE 122 H ILE 122 -17.516 -1.103 -9.217 1016 HA ILE 122 HA ILE 122 -17.376 0.573 -7.679 1017 HB ILE 122 HB ILE 122 -15.758 1.885 -9.866 1018 1HG1 ILE 122 2HG1 ILE 122 -14.423 0.661 -7.541 1019 2HG1 ILE 122 3HG1 ILE 122 -15.228 -0.480 -8.612 1020 1HG2 ILE 122 1HG2 ILE 122 -14.670 2.968 -7.785 1021 2HG2 ILE 122 2HG2 ILE 122 -16.198 3.612 -8.384 1022 3HG2 ILE 122 3HG2 ILE 122 -16.181 2.546 -6.979 1023 1HD1 ILE 122 1HD1 ILE 122 -13.900 0.160 -10.447 1024 2HD1 ILE 122 2HD1 ILE 122 -13.295 1.587 -9.606 1025 3HD1 ILE 122 3HD1 ILE 122 -12.799 -0.022 -9.082 Start of MODEL 20 1 H MET 1 H MET 1 7.364 1.238 -5.629 2 HA MET 1 HA MET 1 8.480 -1.414 -6.242 3 1HB MET 1 2HB MET 1 7.975 -1.174 -3.810 4 2HB MET 1 3HB MET 1 6.293 -0.874 -4.227 5 1HG MET 1 2HG MET 1 6.230 -3.101 -3.729 6 2HG MET 1 3HG MET 1 6.491 -3.155 -5.471 7 1HE MET 1 1HE MET 1 7.139 -5.853 -4.191 8 2HE MET 1 2HE MET 1 8.553 -5.944 -3.141 9 3HE MET 1 3HE MET 1 7.138 -5.017 -2.638 10 H GLN 2 H GLN 2 7.727 -1.857 -8.215 11 HA GLN 2 HA GLN 2 5.511 -0.796 -9.469 12 1HB GLN 2 2HB GLN 2 5.629 -2.764 -10.986 13 2HB GLN 2 3HB GLN 2 7.186 -1.989 -10.722 14 1HG GLN 2 2HG GLN 2 7.171 -3.881 -8.764 15 2HG GLN 2 3HG GLN 2 6.288 -4.688 -10.059 16 1HE2 GLN 2 1HE2 GLN 2 9.069 -4.923 -8.835 17 2HE2 GLN 2 2HE2 GLN 2 10.117 -4.966 -10.207 18 H LYS 3 H LYS 3 3.462 -1.783 -10.056 19 HA LYS 3 HA LYS 3 2.259 -3.123 -7.758 20 1HB LYS 3 2HB LYS 3 1.239 -1.056 -8.763 21 2HB LYS 3 3HB LYS 3 0.885 -2.001 -10.203 22 1HG LYS 3 2HG LYS 3 -0.689 -3.319 -9.100 23 2HG LYS 3 3HG LYS 3 -0.087 -2.863 -7.504 24 1HD LYS 3 2HD LYS 3 -1.085 -0.670 -9.222 25 2HD LYS 3 3HD LYS 3 -2.291 -1.800 -8.601 26 1HE LYS 3 2HE LYS 3 -2.264 -0.322 -6.871 27 2HE LYS 3 3HE LYS 3 -0.960 -1.385 -6.344 28 1HZ LYS 3 1HZ LYS 3 0.151 0.540 -8.023 29 2HZ LYS 3 2HZ LYS 3 0.385 0.354 -6.358 30 3HZ LYS 3 3HZ LYS 3 -0.848 1.360 -6.931 31 H GLY 4 H GLY 4 1.904 -3.411 -11.302 32 1HA GLY 4 2HA GLY 4 2.293 -5.445 -12.495 33 2HA GLY 4 3HA GLY 4 2.038 -6.332 -10.999 34 H LEU 5 H LEU 5 -0.172 -3.796 -11.709 35 HA LEU 5 HA LEU 5 -2.053 -5.462 -13.123 36 1HB LEU 5 2HB LEU 5 -2.087 -5.793 -10.457 37 2HB LEU 5 3HB LEU 5 -3.170 -4.410 -10.599 38 HG LEU 5 HG LEU 5 -4.277 -6.667 -10.523 39 1HD1 LEU 5 1HD1 LEU 5 -5.025 -4.408 -11.758 40 2HD1 LEU 5 2HD1 LEU 5 -6.014 -5.867 -11.721 41 3HD1 LEU 5 3HD1 LEU 5 -5.022 -5.512 -13.134 42 1HD2 LEU 5 1HD2 LEU 5 -2.382 -7.317 -12.429 43 2HD2 LEU 5 2HD2 LEU 5 -3.876 -7.166 -13.354 44 3HD2 LEU 5 3HD2 LEU 5 -3.794 -8.277 -11.986 45 H GLU 6 H GLU 6 -3.783 -4.300 -14.006 46 HA GLU 6 HA GLU 6 -3.371 -1.403 -14.019 47 1HB GLU 6 2HB GLU 6 -5.376 -2.577 -15.836 48 2HB GLU 6 3HB GLU 6 -4.121 -1.389 -16.158 49 1HG GLU 6 2HG GLU 6 -3.320 -3.113 -17.389 50 2HG GLU 6 3HG GLU 6 -2.550 -3.487 -15.848 51 H ILE 7 H ILE 7 -4.778 -0.008 -13.156 52 HA ILE 7 HA ILE 7 -7.505 -0.881 -12.563 53 HB ILE 7 HB ILE 7 -7.229 0.332 -10.289 54 1HG1 ILE 7 2HG1 ILE 7 -4.772 0.917 -11.081 55 2HG1 ILE 7 3HG1 ILE 7 -5.129 0.598 -9.387 56 1HG2 ILE 7 1HG2 ILE 7 -6.313 -2.427 -10.988 57 2HG2 ILE 7 2HG2 ILE 7 -6.258 -1.867 -9.317 58 3HG2 ILE 7 3HG2 ILE 7 -7.794 -1.910 -10.182 59 1HD1 ILE 7 1HD1 ILE 7 -3.085 -0.520 -10.540 60 2HD1 ILE 7 2HD1 ILE 7 -4.081 -1.441 -9.413 61 3HD1 ILE 7 3HD1 ILE 7 -4.293 -1.650 -11.151 62 H ALA 8 H ALA 8 -9.018 0.761 -12.514 63 HA ALA 8 HA ALA 8 -8.031 3.485 -13.037 64 1HB ALA 8 1HB ALA 8 -10.088 3.674 -14.577 65 2HB ALA 8 2HB ALA 8 -8.660 2.831 -15.178 66 3HB ALA 8 3HB ALA 8 -10.047 1.910 -14.596 67 H PHE 9 H PHE 9 -9.294 5.169 -12.251 68 HA PHE 9 HA PHE 9 -11.489 4.367 -10.456 69 1HB PHE 9 2HB PHE 9 -9.555 5.060 -9.153 70 2HB PHE 9 3HB PHE 9 -9.445 6.561 -10.066 71 HD1 PHE 9 HD1 PHE 9 -11.868 4.658 -7.967 72 HD2 PHE 9 HD2 PHE 9 -10.381 8.460 -9.173 73 HE1 PHE 9 HE1 PHE 9 -13.349 5.752 -6.335 74 HE2 PHE 9 HE2 PHE 9 -11.859 9.559 -7.542 75 HZ PHE 9 HZ PHE 9 -13.345 8.205 -6.120 76 H GLN 10 H GLN 10 -13.389 5.105 -11.106 77 HA GLN 10 HA GLN 10 -13.509 7.397 -12.909 78 1HB GLN 10 2HB GLN 10 -15.888 6.723 -13.203 79 2HB GLN 10 3HB GLN 10 -14.741 5.460 -13.630 80 1HG GLN 10 2HG GLN 10 -15.859 4.088 -12.309 81 2HG GLN 10 3HG GLN 10 -15.317 5.048 -10.933 82 1HE2 GLN 10 1HE2 GLN 10 -16.845 5.827 -9.680 83 2HE2 GLN 10 2HE2 GLN 10 -18.489 6.107 -10.129 84 H THR 11 H THR 11 -14.388 9.324 -12.397 85 HA THR 11 HA THR 11 -15.543 9.613 -9.699 86 HB THR 11 HB THR 11 -14.293 11.444 -9.234 87 HG1 THR 11 HG1 THR 11 -14.998 12.871 -10.741 88 1HG2 THR 11 1HG2 THR 11 -12.063 11.160 -9.850 89 2HG2 THR 11 2HG2 THR 11 -12.481 10.615 -11.475 90 3HG2 THR 11 3HG2 THR 11 -12.749 9.553 -10.092 91 H ILE 12 H ILE 12 -17.641 10.035 -9.844 92 HA ILE 12 HA ILE 12 -18.562 11.850 -11.976 93 HB ILE 12 HB ILE 12 -20.820 10.563 -11.555 94 1HG1 ILE 12 2HG1 ILE 12 -20.439 8.163 -11.139 95 2HG1 ILE 12 3HG1 ILE 12 -18.731 8.485 -10.857 96 1HG2 ILE 12 1HG2 ILE 12 -19.537 8.753 -13.229 97 2HG2 ILE 12 2HG2 ILE 12 -20.359 10.237 -13.707 98 3HG2 ILE 12 3HG2 ILE 12 -18.622 10.250 -13.404 99 1HD1 ILE 12 1HD1 ILE 12 -19.090 9.281 -8.782 100 2HD1 ILE 12 2HD1 ILE 12 -20.637 10.013 -9.209 101 3HD1 ILE 12 3HD1 ILE 12 -20.537 8.280 -8.902 102 H ASN 13 H ASN 13 -18.214 11.380 -8.690 103 HA ASN 13 HA ASN 13 -20.570 12.916 -7.929 104 1HB ASN 13 2HB ASN 13 -19.815 12.514 -5.615 105 2HB ASN 13 3HB ASN 13 -19.954 11.012 -6.526 106 1HD2 ASN 13 1HD2 ASN 13 -17.873 13.132 -4.828 107 2HD2 ASN 13 2HD2 ASN 13 -16.429 12.194 -4.973 108 H GLY 14 H GLY 14 -19.787 14.445 -5.872 109 1HA GLY 14 2HA GLY 14 -18.100 16.452 -7.202 110 2HA GLY 14 3HA GLY 14 -19.263 16.776 -5.925 111 H LEU 15 H LEU 15 -16.697 17.795 -5.823 112 HA LEU 15 HA LEU 15 -14.834 17.943 -4.521 113 1HB LEU 15 2HB LEU 15 -16.352 16.347 -2.483 114 2HB LEU 15 3HB LEU 15 -15.151 17.609 -2.215 115 HG LEU 15 HG LEU 15 -17.828 18.187 -3.457 116 1HD1 LEU 15 1HD1 LEU 15 -18.591 17.395 -1.449 117 2HD1 LEU 15 2HD1 LEU 15 -18.244 19.070 -1.021 118 3HD1 LEU 15 3HD1 LEU 15 -17.100 17.797 -0.596 119 1HD2 LEU 15 1HD2 LEU 15 -17.358 20.450 -2.697 120 2HD2 LEU 15 2HD2 LEU 15 -16.060 19.861 -3.736 121 3HD2 LEU 15 3HD2 LEU 15 -15.836 19.911 -1.986 122 H ASP 16 H ASP 16 -15.070 15.607 -6.263 123 HA ASP 16 HA ASP 16 -13.856 13.421 -4.804 124 1HB ASP 16 2HB ASP 16 -13.699 12.419 -7.156 125 2HB ASP 16 3HB ASP 16 -15.314 12.706 -6.515 126 H GLU 17 H GLU 17 -12.836 16.170 -6.590 127 HA GLU 17 HA GLU 17 -10.418 15.426 -7.669 128 1HB GLU 17 2HB GLU 17 -11.409 17.973 -6.451 129 2HB GLU 17 3HB GLU 17 -9.720 17.848 -6.923 130 1HG GLU 17 2HG GLU 17 -10.215 17.687 -9.165 131 2HG GLU 17 3HG GLU 17 -11.852 17.104 -8.869 132 H SER 18 H SER 18 -11.242 15.954 -4.313 133 HA SER 18 HA SER 18 -8.692 16.191 -3.209 134 1HB SER 18 2HB SER 18 -9.816 15.135 -1.145 135 2HB SER 18 3HB SER 18 -10.500 16.638 -1.763 136 HG SER 18 HG SER 18 -11.482 14.005 -2.037 137 H LEU 19 H LEU 19 -10.620 13.282 -3.860 138 HA LEU 19 HA LEU 19 -8.630 11.483 -2.884 139 1HB LEU 19 2HB LEU 19 -11.225 11.199 -3.279 140 2HB LEU 19 3HB LEU 19 -10.687 10.619 -4.853 141 HG LEU 19 HG LEU 19 -10.183 9.422 -2.144 142 1HD1 LEU 19 1HD1 LEU 19 -11.324 8.330 -4.713 143 2HD1 LEU 19 2HD1 LEU 19 -12.238 8.781 -3.274 144 3HD1 LEU 19 3HD1 LEU 19 -11.111 7.427 -3.213 145 1HD2 LEU 19 1HD2 LEU 19 -8.779 8.768 -4.733 146 2HD2 LEU 19 2HD2 LEU 19 -8.694 7.810 -3.255 147 3HD2 LEU 19 3HD2 LEU 19 -8.042 9.449 -3.283 148 H VAL 20 H VAL 20 -9.619 12.581 -6.104 149 HA VAL 20 HA VAL 20 -7.986 10.933 -7.643 150 HB VAL 20 HB VAL 20 -8.655 13.803 -8.297 151 1HG1 VAL 20 1HG1 VAL 20 -7.579 13.374 -10.191 152 2HG1 VAL 20 2HG1 VAL 20 -7.305 11.700 -9.705 153 3HG1 VAL 20 3HG1 VAL 20 -8.786 12.141 -10.554 154 1HG2 VAL 20 1HG2 VAL 20 -10.551 12.440 -9.587 155 2HG2 VAL 20 2HG2 VAL 20 -10.344 11.372 -8.199 156 3HG2 VAL 20 3HG2 VAL 20 -10.775 13.064 -7.952 157 H GLN 21 H GLN 21 -7.308 14.194 -6.382 158 HA GLN 21 HA GLN 21 -4.645 14.269 -7.370 159 1HB GLN 21 2HB GLN 21 -5.912 15.874 -5.143 160 2HB GLN 21 3HB GLN 21 -4.390 16.251 -5.940 161 1HG GLN 21 2HG GLN 21 -5.448 16.820 -7.946 162 2HG GLN 21 3HG GLN 21 -6.956 16.040 -7.472 163 1HE2 GLN 21 1HE2 GLN 21 -7.715 16.989 -5.216 164 2HE2 GLN 21 2HE2 GLN 21 -7.820 18.713 -5.192 165 H ALA 22 H ALA 22 -6.015 13.631 -4.154 166 HA ALA 22 HA ALA 22 -3.635 13.281 -2.756 167 1HB ALA 22 1HB ALA 22 -6.368 12.094 -2.365 168 2HB ALA 22 2HB ALA 22 -5.036 11.795 -1.249 169 3HB ALA 22 3HB ALA 22 -5.622 13.439 -1.502 170 H LEU 23 H LEU 23 -5.656 10.790 -4.313 171 HA LEU 23 HA LEU 23 -3.919 8.640 -3.783 172 1HB LEU 23 2HB LEU 23 -5.335 7.356 -5.047 173 2HB LEU 23 3HB LEU 23 -6.391 8.691 -4.592 174 HG LEU 23 HG LEU 23 -5.597 9.664 -6.913 175 1HD1 LEU 23 1HD1 LEU 23 -4.241 7.286 -6.967 176 2HD1 LEU 23 2HD1 LEU 23 -4.653 8.265 -8.374 177 3HD1 LEU 23 3HD1 LEU 23 -5.692 6.921 -7.901 178 1HD2 LEU 23 1HD2 LEU 23 -7.686 7.561 -6.414 179 2HD2 LEU 23 2HD2 LEU 23 -7.533 8.397 -7.959 180 3HD2 LEU 23 3HD2 LEU 23 -7.887 9.311 -6.492 181 H ALA 24 H ALA 24 -4.075 10.963 -6.406 182 HA ALA 24 HA ALA 24 -2.312 9.652 -8.182 183 1HB ALA 24 1HB ALA 24 -3.373 12.413 -7.904 184 2HB ALA 24 2HB ALA 24 -1.966 12.161 -8.937 185 3HB ALA 24 3HB ALA 24 -3.467 11.295 -9.265 186 H GLY 25 H GLY 25 -1.735 12.324 -5.884 187 1HA GLY 25 2HA GLY 25 1.047 12.466 -6.308 188 2HA GLY 25 3HA GLY 25 0.196 13.076 -4.897 189 H VAL 26 H VAL 26 -0.851 10.711 -3.877 190 HA VAL 26 HA VAL 26 1.306 9.737 -2.375 191 HB VAL 26 HB VAL 26 -1.433 8.544 -2.812 192 1HG1 VAL 26 1HG1 VAL 26 -0.511 6.698 -1.920 193 2HG1 VAL 26 2HG1 VAL 26 0.899 7.570 -1.315 194 3HG1 VAL 26 3HG1 VAL 26 -0.613 7.597 -0.407 195 1HG2 VAL 26 1HG2 VAL 26 -0.549 9.849 -0.287 196 2HG2 VAL 26 2HG2 VAL 26 -0.973 10.870 -1.661 197 3HG2 VAL 26 3HG2 VAL 26 -2.158 9.744 -1.001 198 H THR 27 H THR 27 -0.443 8.290 -5.107 199 HA THR 27 HA THR 27 0.942 5.855 -5.175 200 HB THR 27 HB THR 27 0.261 5.813 -7.623 201 HG1 THR 27 HG1 THR 27 0.066 7.924 -8.182 202 1HG2 THR 27 1HG2 THR 27 -1.428 5.869 -5.242 203 2HG2 THR 27 2HG2 THR 27 -1.389 4.714 -6.575 204 3HG2 THR 27 3HG2 THR 27 -2.311 6.210 -6.730 205 H ALA 28 H ALA 28 1.470 8.799 -7.119 206 HA ALA 28 HA ALA 28 3.719 7.927 -8.508 207 1HB ALA 28 1HB ALA 28 2.843 9.868 -9.366 208 2HB ALA 28 2HB ALA 28 2.647 10.611 -7.778 209 3HB ALA 28 3HB ALA 28 4.250 10.490 -8.503 210 H SER 29 H SER 29 3.439 9.387 -5.313 211 HA SER 29 HA SER 29 6.260 9.675 -4.930 212 1HB SER 29 2HB SER 29 3.847 9.925 -3.163 213 2HB SER 29 3HB SER 29 5.460 9.897 -2.451 214 HG SER 29 HG SER 29 4.949 11.616 -4.606 215 H ASP 30 H ASP 30 3.869 7.218 -4.206 216 HA ASP 30 HA ASP 30 5.628 5.661 -2.549 217 1HB ASP 30 2HB ASP 30 3.206 5.565 -2.216 218 2HB ASP 30 3HB ASP 30 2.993 4.941 -3.849 219 H PHE 31 H PHE 31 5.159 6.052 -5.898 220 HA PHE 31 HA PHE 31 6.585 3.533 -6.445 221 1HB PHE 31 2HB PHE 31 4.516 5.047 -7.990 222 2HB PHE 31 3HB PHE 31 5.688 4.063 -8.860 223 HD1 PHE 31 HD1 PHE 31 4.715 2.115 -9.573 224 HD2 PHE 31 HD2 PHE 31 3.795 3.574 -5.682 225 HE1 PHE 31 HE1 PHE 31 3.348 0.114 -9.149 226 HE2 PHE 31 HE2 PHE 31 2.427 1.575 -5.252 227 HZ PHE 31 HZ PHE 31 2.203 -0.159 -6.986 228 HA PRO 32 HA PRO 32 9.493 7.049 -7.356 229 1HB PRO 32 2HB PRO 32 11.625 5.925 -6.106 230 2HB PRO 32 3HB PRO 32 10.436 6.927 -5.264 231 1HG PRO 32 2HG PRO 32 10.649 3.943 -5.391 232 2HG PRO 32 3HG PRO 32 10.297 4.981 -3.998 233 1HD PRO 32 2HD PRO 32 8.363 3.656 -5.353 234 2HD PRO 32 3HD PRO 32 8.082 5.232 -4.585 235 H ASP 33 H ASP 33 9.391 3.650 -7.888 236 HA ASP 33 HA ASP 33 11.749 3.352 -9.424 237 1HB ASP 33 2HB ASP 33 9.175 1.765 -9.396 238 2HB ASP 33 3HB ASP 33 10.615 1.286 -10.291 239 H LEU 34 H LEU 34 8.895 5.011 -10.053 240 HA LEU 34 HA LEU 34 8.123 6.125 -11.880 241 1HB LEU 34 2HB LEU 34 10.518 5.226 -13.436 242 2HB LEU 34 3HB LEU 34 9.597 6.721 -13.584 243 HG LEU 34 HG LEU 34 11.559 5.999 -11.412 244 1HD1 LEU 34 1HD1 LEU 34 12.172 6.889 -13.834 245 2HD1 LEU 34 2HD1 LEU 34 13.029 7.428 -12.391 246 3HD1 LEU 34 3HD1 LEU 34 11.761 8.434 -13.090 247 1HD2 LEU 34 1HD2 LEU 34 9.803 7.194 -10.346 248 2HD2 LEU 34 2HD2 LEU 34 9.693 8.347 -11.676 249 3HD2 LEU 34 3HD2 LEU 34 11.112 8.342 -10.627 250 H ASP 35 H ASP 35 7.899 3.106 -11.469 251 HA ASP 35 HA ASP 35 7.361 2.237 -14.207 252 1HB ASP 35 2HB ASP 35 6.837 0.028 -13.017 253 2HB ASP 35 3HB ASP 35 8.512 0.571 -13.002 254 H ILE 36 H ILE 36 5.740 4.212 -12.551 255 HA ILE 36 HA ILE 36 3.156 2.802 -12.638 256 HB ILE 36 HB ILE 36 3.459 3.654 -10.456 257 1HG1 ILE 36 2HG1 ILE 36 1.379 4.503 -12.060 258 2HG1 ILE 36 3HG1 ILE 36 1.428 4.610 -10.304 259 1HG2 ILE 36 1HG2 ILE 36 5.318 5.123 -10.802 260 2HG2 ILE 36 2HG2 ILE 36 4.331 6.225 -11.761 261 3HG2 ILE 36 3HG2 ILE 36 4.025 6.044 -10.034 262 1HD1 ILE 36 1HD1 ILE 36 2.186 6.869 -10.398 263 2HD1 ILE 36 2HD1 ILE 36 2.394 6.778 -12.147 264 3HD1 ILE 36 3HD1 ILE 36 0.777 6.712 -11.447 265 H LYS 37 H LYS 37 1.928 3.222 -14.337 266 HA LYS 37 HA LYS 37 2.274 5.785 -15.741 267 1HB LYS 37 2HB LYS 37 0.938 3.324 -16.856 268 2HB LYS 37 3HB LYS 37 1.538 4.724 -17.735 269 1HG LYS 37 2HG LYS 37 3.190 2.634 -16.334 270 2HG LYS 37 3HG LYS 37 3.016 2.860 -18.076 271 1HD LYS 37 2HD LYS 37 4.740 4.262 -18.043 272 2HD LYS 37 3HD LYS 37 3.822 5.342 -16.991 273 1HE LYS 37 2HE LYS 37 5.229 4.910 -15.329 274 2HE LYS 37 3HE LYS 37 4.794 3.204 -15.403 275 1HZ LYS 37 1HZ LYS 37 6.532 3.662 -17.506 276 2HZ LYS 37 2HZ LYS 37 6.847 2.802 -16.084 277 3HZ LYS 37 3HZ LYS 37 7.210 4.452 -16.172 278 H TYR 38 H TYR 38 0.837 7.162 -14.847 279 HA TYR 38 HA TYR 38 -1.982 6.307 -14.790 280 1HB TYR 38 2HB TYR 38 -2.372 7.558 -12.829 281 2HB TYR 38 3HB TYR 38 -0.853 6.720 -12.531 282 HD1 TYR 38 HD1 TYR 38 -2.491 9.809 -12.334 283 HD2 TYR 38 HD2 TYR 38 1.304 8.103 -13.224 284 HE1 TYR 38 HE1 TYR 38 -1.411 11.961 -11.830 285 HE2 TYR 38 HE2 TYR 38 2.394 10.249 -12.721 286 HH TYR 38 HH TYR 38 1.578 12.780 -12.759 287 H ASN 39 H ASN 39 -3.553 8.031 -15.129 288 HA ASN 39 HA ASN 39 -2.686 10.542 -16.218 289 1HB ASN 39 2HB ASN 39 -3.528 8.303 -18.007 290 2HB ASN 39 3HB ASN 39 -4.035 9.939 -18.419 291 1HD2 ASN 39 1HD2 ASN 39 -2.367 11.553 -18.673 292 2HD2 ASN 39 2HD2 ASN 39 -0.804 11.076 -19.236 293 H ILE 40 H ILE 40 -4.258 12.050 -16.062 294 HA ILE 40 HA ILE 40 -6.943 11.102 -15.301 295 HB ILE 40 HB ILE 40 -6.497 13.852 -14.587 296 1HG1 ILE 40 2HG1 ILE 40 -4.475 11.847 -13.571 297 2HG1 ILE 40 3HG1 ILE 40 -4.146 13.338 -14.446 298 1HG2 ILE 40 1HG2 ILE 40 -6.818 11.513 -12.730 299 2HG2 ILE 40 2HG2 ILE 40 -7.367 13.174 -12.512 300 3HG2 ILE 40 3HG2 ILE 40 -8.153 12.135 -13.700 301 1HD1 ILE 40 1HD1 ILE 40 -3.638 13.631 -12.119 302 2HD1 ILE 40 2HD1 ILE 40 -5.044 14.611 -12.536 303 3HD1 ILE 40 3HD1 ILE 40 -5.254 13.094 -11.661 304 H PHE 41 H PHE 41 -8.493 11.491 -16.723 305 HA PHE 41 HA PHE 41 -8.285 13.880 -18.429 306 1HB PHE 41 2HB PHE 41 -9.582 12.326 -20.123 307 2HB PHE 41 3HB PHE 41 -7.824 12.284 -20.027 308 HD1 PHE 41 HD1 PHE 41 -6.820 10.228 -19.934 309 HD2 PHE 41 HD2 PHE 41 -10.776 10.658 -18.423 310 HE1 PHE 41 HE1 PHE 41 -6.902 7.813 -19.472 311 HE2 PHE 41 HE2 PHE 41 -10.864 8.244 -17.957 312 HZ PHE 41 HZ PHE 41 -8.925 6.818 -18.481 313 H LEU 42 H LEU 42 -10.244 14.862 -19.023 314 HA LEU 42 HA LEU 42 -12.490 14.162 -17.265 315 1HB LEU 42 2HB LEU 42 -12.019 16.354 -16.803 316 2HB LEU 42 3HB LEU 42 -11.481 16.696 -18.446 317 HG LEU 42 HG LEU 42 -13.793 16.788 -19.202 318 1HD1 LEU 42 1HD1 LEU 42 -15.307 15.623 -18.063 319 2HD1 LEU 42 2HD1 LEU 42 -15.310 16.941 -16.892 320 3HD1 LEU 42 3HD1 LEU 42 -14.277 15.535 -16.635 321 1HD2 LEU 42 1HD2 LEU 42 -13.913 18.936 -18.626 322 2HD2 LEU 42 2HD2 LEU 42 -12.495 18.647 -17.618 323 3HD2 LEU 42 3HD2 LEU 42 -14.111 18.547 -16.918 324 H VAL 43 H VAL 43 -14.210 13.218 -18.122 325 HA VAL 43 HA VAL 43 -14.583 13.323 -21.032 326 HB VAL 43 HB VAL 43 -15.541 11.258 -20.967 327 1HG1 VAL 43 1HG1 VAL 43 -13.259 11.378 -19.644 328 2HG1 VAL 43 2HG1 VAL 43 -14.275 10.827 -18.310 329 3HG1 VAL 43 3HG1 VAL 43 -14.161 9.870 -19.788 330 1HG2 VAL 43 1HG2 VAL 43 -17.475 11.746 -19.693 331 2HG2 VAL 43 2HG2 VAL 43 -16.714 10.358 -18.915 332 3HG2 VAL 43 3HG2 VAL 43 -16.536 11.968 -18.217 333 H ASP 44 H ASP 44 -16.352 14.201 -21.951 334 HA ASP 44 HA ASP 44 -18.584 15.009 -20.225 335 1HB ASP 44 2HB ASP 44 -18.680 17.186 -21.480 336 2HB ASP 44 3HB ASP 44 -17.282 17.011 -20.423 337 H LEU 45 H LEU 45 -20.179 13.772 -21.004 338 HA LEU 45 HA LEU 45 -20.994 14.155 -23.762 339 1HB LEU 45 2HB LEU 45 -19.560 11.848 -22.963 340 2HB LEU 45 3HB LEU 45 -21.231 11.363 -23.241 341 HG LEU 45 HG LEU 45 -20.050 10.994 -25.263 342 1HD1 LEU 45 1HD1 LEU 45 -22.297 12.088 -25.405 343 2HD1 LEU 45 2HD1 LEU 45 -21.263 12.330 -26.812 344 3HD1 LEU 45 3HD1 LEU 45 -21.464 13.626 -25.633 345 1HD2 LEU 45 1HD2 LEU 45 -18.466 12.349 -26.188 346 2HD2 LEU 45 2HD2 LEU 45 -18.263 12.786 -24.491 347 3HD2 LEU 45 3HD2 LEU 45 -19.202 13.825 -25.563 348 H TYR 46 H TYR 46 -23.167 13.382 -24.180 349 HA TYR 46 HA TYR 46 -25.370 13.142 -23.668 350 1HB TYR 46 2HB TYR 46 -24.382 11.922 -21.083 351 2HB TYR 46 3HB TYR 46 -25.986 11.738 -21.783 352 HD1 TYR 46 HD1 TYR 46 -26.150 10.582 -24.068 353 HD2 TYR 46 HD2 TYR 46 -22.681 10.409 -21.612 354 HE1 TYR 46 HE1 TYR 46 -25.394 8.585 -25.288 355 HE2 TYR 46 HE2 TYR 46 -21.914 8.412 -22.826 356 HH TYR 46 HH TYR 46 -23.159 6.511 -24.211 357 H GLY 47 H GLY 47 -23.744 15.496 -22.762 358 1HA GLY 47 2HA GLY 47 -24.328 17.523 -21.819 359 2HA GLY 47 3HA GLY 47 -25.850 16.803 -21.316 360 H GLN 48 H GLN 48 -23.438 14.807 -20.268 361 HA GLN 48 HA GLN 48 -23.376 16.124 -17.634 362 1HB GLN 48 2HB GLN 48 -23.042 13.167 -18.097 363 2HB GLN 48 3HB GLN 48 -23.387 13.998 -16.586 364 1HG GLN 48 2HG GLN 48 -25.543 14.744 -17.948 365 2HG GLN 48 3HG GLN 48 -25.201 13.236 -18.793 366 1HE2 GLN 48 1HE2 GLN 48 -25.819 14.649 -15.635 367 2HE2 GLN 48 2HE2 GLN 48 -26.447 13.214 -14.909 368 H LYS 49 H LYS 49 -21.455 16.532 -16.711 369 HA LYS 49 HA LYS 49 -19.052 15.681 -18.173 370 1HB LYS 49 2HB LYS 49 -19.593 18.025 -16.355 371 2HB LYS 49 3HB LYS 49 -17.965 17.562 -16.835 372 1HG LYS 49 2HG LYS 49 -18.173 18.553 -18.810 373 2HG LYS 49 3HG LYS 49 -19.729 17.778 -19.117 374 1HD LYS 49 2HD LYS 49 -20.225 20.063 -19.092 375 2HD LYS 49 3HD LYS 49 -20.692 19.507 -17.484 376 1HE LYS 49 2HE LYS 49 -19.501 21.552 -17.215 377 2HE LYS 49 3HE LYS 49 -18.444 20.251 -16.671 378 1HZ LYS 49 1HZ LYS 49 -17.861 22.187 -18.539 379 2HZ LYS 49 2HZ LYS 49 -18.075 20.770 -19.438 380 3HZ LYS 49 3HZ LYS 49 -16.941 20.812 -18.182 381 H TYR 50 H TYR 50 -17.604 14.368 -17.252 382 HA TYR 50 HA TYR 50 -17.542 14.079 -14.346 383 1HB TYR 50 2HB TYR 50 -17.838 11.710 -16.204 384 2HB TYR 50 3HB TYR 50 -17.659 11.644 -14.454 385 HD1 TYR 50 HD1 TYR 50 -19.487 13.169 -13.178 386 HD2 TYR 50 HD2 TYR 50 -19.966 11.429 -17.032 387 HE1 TYR 50 HE1 TYR 50 -21.930 13.284 -12.921 388 HE2 TYR 50 HE2 TYR 50 -22.410 11.541 -16.785 389 HH TYR 50 HH TYR 50 -23.903 12.729 -13.794 390 H PHE 51 H PHE 51 -15.606 13.121 -13.545 391 HA PHE 51 HA PHE 51 -13.381 13.275 -15.465 392 1HB PHE 51 2HB PHE 51 -13.540 13.851 -12.513 393 2HB PHE 51 3HB PHE 51 -11.998 13.580 -13.319 394 HD1 PHE 51 HD1 PHE 51 -10.849 15.469 -13.894 395 HD2 PHE 51 HD2 PHE 51 -15.104 15.563 -13.934 396 HE1 PHE 51 HE1 PHE 51 -10.787 17.834 -14.570 397 HE2 PHE 51 HE2 PHE 51 -15.049 17.927 -14.611 398 HZ PHE 51 HZ PHE 51 -12.889 19.066 -14.930 399 H ARG 52 H ARG 52 -12.052 11.575 -15.751 400 HA ARG 52 HA ARG 52 -12.329 9.274 -13.941 401 1HB ARG 52 2HB ARG 52 -12.718 9.391 -16.884 402 2HB ARG 52 3HB ARG 52 -11.864 7.992 -16.247 403 1HG ARG 52 2HG ARG 52 -13.727 7.090 -15.415 404 2HG ARG 52 3HG ARG 52 -14.300 8.634 -14.778 405 1HD ARG 52 2HD ARG 52 -15.877 8.394 -16.374 406 2HD ARG 52 3HD ARG 52 -14.621 9.066 -17.413 407 HE ARG 52 HE ARG 52 -14.406 7.020 -18.435 408 1HH1 ARG 52 2HH1 ARG 52 -16.307 6.686 -15.538 409 2HH1 ARG 52 1HH1 ARG 52 -16.788 5.058 -15.885 410 1HH2 ARG 52 2HH2 ARG 52 -15.033 4.877 -18.903 411 2HH2 ARG 52 1HH2 ARG 52 -16.062 4.030 -17.799 412 H ILE 53 H ILE 53 -10.487 7.997 -13.673 413 HA ILE 53 HA ILE 53 -8.011 9.068 -14.855 414 HB ILE 53 HB ILE 53 -6.890 9.118 -12.860 415 1HG1 ILE 53 2HG1 ILE 53 -7.995 7.857 -10.802 416 2HG1 ILE 53 3HG1 ILE 53 -8.747 6.913 -12.083 417 1HG2 ILE 53 1HG2 ILE 53 -8.084 10.484 -11.470 418 2HG2 ILE 53 2HG2 ILE 53 -9.120 10.523 -12.896 419 3HG2 ILE 53 3HG2 ILE 53 -9.529 9.475 -11.537 420 1HD1 ILE 53 1HD1 ILE 53 -6.169 6.635 -10.981 421 2HD1 ILE 53 2HD1 ILE 53 -6.909 5.711 -12.289 422 3HD1 ILE 53 3HD1 ILE 53 -5.975 7.162 -12.652 423 H LEU 54 H LEU 54 -6.557 7.605 -15.589 424 HA LEU 54 HA LEU 54 -7.223 4.759 -15.212 425 1HB LEU 54 2HB LEU 54 -7.406 5.942 -17.542 426 2HB LEU 54 3HB LEU 54 -5.656 5.736 -17.556 427 HG LEU 54 HG LEU 54 -7.706 3.529 -17.361 428 1HD1 LEU 54 1HD1 LEU 54 -7.749 3.595 -19.575 429 2HD1 LEU 54 2HD1 LEU 54 -6.017 3.263 -19.600 430 3HD1 LEU 54 3HD1 LEU 54 -6.595 4.929 -19.588 431 1HD2 LEU 54 1HD2 LEU 54 -5.905 2.673 -16.198 432 2HD2 LEU 54 2HD2 LEU 54 -4.724 3.573 -17.152 433 3HD2 LEU 54 3HD2 LEU 54 -5.541 2.173 -17.850 434 H PHE 55 H PHE 55 -5.719 3.503 -14.319 435 HA PHE 55 HA PHE 55 -2.930 4.441 -14.303 436 1HB PHE 55 2HB PHE 55 -3.611 4.906 -12.104 437 2HB PHE 55 3HB PHE 55 -4.595 3.450 -12.005 438 HD1 PHE 55 HD1 PHE 55 -1.081 3.767 -13.148 439 HD2 PHE 55 HD2 PHE 55 -3.737 2.362 -10.133 440 HE1 PHE 55 HE1 PHE 55 0.784 2.588 -12.060 441 HE2 PHE 55 HE2 PHE 55 -1.876 1.181 -9.040 442 HZ PHE 55 HZ PHE 55 0.388 1.294 -10.002 443 H GLN 56 H GLN 56 -1.604 3.016 -15.194 444 HA GLN 56 HA GLN 56 -2.182 0.153 -14.905 445 1HB GLN 56 2HB GLN 56 -2.961 0.873 -17.129 446 2HB GLN 56 3HB GLN 56 -1.356 1.500 -17.483 447 1HG GLN 56 2HG GLN 56 -0.422 -0.619 -17.638 448 2HG GLN 56 3HG GLN 56 -1.746 -1.372 -16.750 449 1HE2 GLN 56 1HE2 GLN 56 -0.953 -2.510 -19.048 450 2HE2 GLN 56 2HE2 GLN 56 -2.126 -2.262 -20.292 451 H SER 57 H SER 57 -0.354 -1.225 -15.030 452 HA SER 57 HA SER 57 2.198 0.178 -14.580 453 1HB SER 57 2HB SER 57 2.852 -1.634 -13.112 454 2HB SER 57 3HB SER 57 1.277 -1.031 -12.597 455 HG SER 57 HG SER 57 0.316 -2.794 -13.627 456 H LYS 58 H LYS 58 4.137 -1.294 -15.022 457 HA LYS 58 HA LYS 58 3.787 -2.410 -17.701 458 1HB LYS 58 2HB LYS 58 5.733 -0.775 -16.577 459 2HB LYS 58 3HB LYS 58 6.516 -2.346 -16.685 460 1HG LYS 58 2HG LYS 58 5.256 -2.042 -19.136 461 2HG LYS 58 3HG LYS 58 5.899 -0.440 -18.766 462 1HD LYS 58 2HD LYS 58 7.640 -2.827 -18.358 463 2HD LYS 58 3HD LYS 58 7.371 -2.236 -20.000 464 1HE LYS 58 2HE LYS 58 8.259 -0.093 -19.454 465 2HE LYS 58 3HE LYS 58 8.292 -0.478 -17.734 466 1HZ LYS 58 1HZ LYS 58 9.782 -2.411 -19.110 467 2HZ LYS 58 2HZ LYS 58 10.326 -1.274 -17.982 468 3HZ LYS 58 3HZ LYS 58 10.302 -0.887 -19.629 469 H LYS 59 H LYS 59 4.531 -3.346 -14.449 470 HA LYS 59 HA LYS 59 5.652 -5.901 -15.116 471 1HB LYS 59 2HB LYS 59 6.185 -4.721 -13.007 472 2HB LYS 59 3HB LYS 59 4.516 -4.920 -12.490 473 1HG LYS 59 2HG LYS 59 6.071 -6.555 -11.482 474 2HG LYS 59 3HG LYS 59 4.763 -7.302 -12.402 475 1HD LYS 59 2HD LYS 59 6.848 -8.427 -12.890 476 2HD LYS 59 3HD LYS 59 6.298 -7.551 -14.321 477 1HE LYS 59 2HE LYS 59 8.617 -7.135 -14.150 478 2HE LYS 59 3HE LYS 59 7.816 -5.667 -13.591 479 1HZ LYS 59 1HZ LYS 59 9.086 -7.767 -11.926 480 2HZ LYS 59 2HZ LYS 59 8.120 -6.533 -11.289 481 3HZ LYS 59 3HZ LYS 59 9.562 -6.151 -12.086 482 H LEU 60 H LEU 60 2.585 -4.707 -15.353 483 HA LEU 60 HA LEU 60 0.830 -6.496 -14.286 484 1HB LEU 60 2HB LEU 60 0.083 -4.595 -15.551 485 2HB LEU 60 3HB LEU 60 0.782 -5.252 -17.029 486 HG LEU 60 HG LEU 60 -1.801 -5.379 -16.567 487 1HD1 LEU 60 1HD1 LEU 60 -1.863 -6.782 -18.322 488 2HD1 LEU 60 2HD1 LEU 60 -0.814 -7.969 -17.547 489 3HD1 LEU 60 3HD1 LEU 60 -0.114 -6.550 -18.325 490 1HD2 LEU 60 1HD2 LEU 60 -1.099 -8.059 -15.478 491 2HD2 LEU 60 2HD2 LEU 60 -2.584 -7.122 -15.307 492 3HD2 LEU 60 3HD2 LEU 60 -1.151 -6.683 -14.376 493 H SER 61 H SER 61 1.187 -8.630 -14.175 494 HA SER 61 HA SER 61 1.866 -10.055 -16.661 495 1HB SER 61 2HB SER 61 2.465 -11.927 -14.936 496 2HB SER 61 3HB SER 61 3.583 -10.584 -15.178 497 HG SER 61 HG SER 61 2.992 -11.186 -12.928 498 H GLU 62 H GLU 62 0.749 -11.950 -17.201 499 HA GLU 62 HA GLU 62 -2.014 -11.945 -16.503 500 1HB GLU 62 2HB GLU 62 -0.262 -13.584 -18.275 501 2HB GLU 62 3HB GLU 62 -1.830 -14.238 -17.823 502 1HG GLU 62 2HG GLU 62 -2.193 -13.153 -19.854 503 2HG GLU 62 3HG GLU 62 -2.811 -12.042 -18.633 504 H LEU 63 H LEU 63 0.738 -14.001 -15.684 505 HA LEU 63 HA LEU 63 -0.794 -15.914 -14.228 506 1HB LEU 63 2HB LEU 63 2.122 -15.291 -14.472 507 2HB LEU 63 3HB LEU 63 1.554 -16.435 -13.258 508 HG LEU 63 HG LEU 63 2.337 -17.617 -15.214 509 1HD1 LEU 63 1HD1 LEU 63 0.631 -19.120 -15.304 510 2HD1 LEU 63 2HD1 LEU 63 -0.605 -17.878 -15.504 511 3HD1 LEU 63 3HD1 LEU 63 0.100 -18.173 -13.915 512 1HD2 LEU 63 1HD2 LEU 63 1.739 -17.176 -17.372 513 2HD2 LEU 63 2HD2 LEU 63 1.629 -15.549 -16.699 514 3HD2 LEU 63 3HD2 LEU 63 0.168 -16.513 -16.921 515 H HIS 64 H HIS 64 0.119 -16.342 -11.840 516 HA HIS 64 HA HIS 64 0.051 -15.714 -9.654 517 1HB HIS 64 2HB HIS 64 1.903 -14.127 -10.658 518 2HB HIS 64 3HB HIS 64 0.696 -12.879 -10.359 519 HD1 HIS 64 HD1 HIS 64 3.432 -13.060 -8.839 520 HD2 HIS 64 HD2 HIS 64 -0.208 -14.479 -7.424 521 HE1 HIS 64 HE1 HIS 64 3.664 -13.128 -6.336 522 HA PRO 65 HA PRO 65 -4.161 -13.920 -10.361 523 1HB PRO 65 2HB PRO 65 -5.466 -15.860 -8.982 524 2HB PRO 65 3HB PRO 65 -5.056 -16.010 -10.695 525 1HG PRO 65 2HG PRO 65 -3.649 -17.137 -8.305 526 2HG PRO 65 3HG PRO 65 -4.008 -17.910 -9.860 527 1HD PRO 65 2HD PRO 65 -1.568 -16.898 -9.265 528 2HD PRO 65 3HD PRO 65 -2.223 -16.905 -10.915 529 H GLU 66 H GLU 66 -2.183 -14.702 -7.683 530 HA GLU 66 HA GLU 66 -3.957 -13.778 -5.628 531 1HB GLU 66 2HB GLU 66 -1.744 -15.316 -5.584 532 2HB GLU 66 3HB GLU 66 -1.033 -13.769 -5.147 533 1HG GLU 66 2HG GLU 66 -1.549 -14.474 -3.072 534 2HG GLU 66 3HG GLU 66 -3.106 -13.751 -3.475 535 H GLU 67 H GLU 67 -1.584 -12.338 -7.725 536 HA GLU 67 HA GLU 67 -1.240 -9.932 -6.228 537 1HB GLU 67 2HB GLU 67 -0.518 -10.850 -8.980 538 2HB GLU 67 3HB GLU 67 -0.448 -9.132 -8.614 539 1HG GLU 67 2HG GLU 67 0.906 -10.078 -6.511 540 2HG GLU 67 3HG GLU 67 1.267 -11.343 -7.683 541 H ARG 68 H ARG 68 -3.304 -10.911 -8.922 542 HA ARG 68 HA ARG 68 -4.386 -8.388 -9.510 543 1HB ARG 68 2HB ARG 68 -5.895 -10.982 -9.780 544 2HB ARG 68 3HB ARG 68 -6.034 -9.535 -10.770 545 1HG ARG 68 2HG ARG 68 -3.447 -10.136 -11.188 546 2HG ARG 68 3HG ARG 68 -4.103 -11.751 -10.912 547 1HD ARG 68 2HD ARG 68 -5.335 -11.722 -12.814 548 2HD ARG 68 3HD ARG 68 -5.654 -9.991 -12.707 549 HE ARG 68 HE ARG 68 -2.928 -10.670 -13.358 550 1HH1 ARG 68 2HH1 ARG 68 -6.109 -9.978 -14.590 551 2HH1 ARG 68 1HH1 ARG 68 -5.541 -9.492 -16.152 552 1HH2 ARG 68 2HH2 ARG 68 -2.167 -10.032 -15.412 553 2HH2 ARG 68 1HH2 ARG 68 -3.298 -9.524 -16.619 554 H LYS 69 H LYS 69 -5.427 -10.916 -7.262 555 HA LYS 69 HA LYS 69 -7.791 -9.551 -6.435 556 1HB LYS 69 2HB LYS 69 -7.870 -11.233 -4.638 557 2HB LYS 69 3HB LYS 69 -7.605 -11.969 -6.214 558 1HG LYS 69 2HG LYS 69 -5.223 -12.179 -5.718 559 2HG LYS 69 3HG LYS 69 -5.489 -11.441 -4.136 560 1HD LYS 69 2HD LYS 69 -6.911 -13.939 -5.030 561 2HD LYS 69 3HD LYS 69 -5.359 -13.972 -4.190 562 1HE LYS 69 2HE LYS 69 -7.533 -12.355 -2.985 563 2HE LYS 69 3HE LYS 69 -7.692 -14.109 -2.909 564 1HZ LYS 69 1HZ LYS 69 -6.532 -13.028 -0.983 565 2HZ LYS 69 2HZ LYS 69 -5.249 -12.682 -2.029 566 3HZ LYS 69 3HZ LYS 69 -5.680 -14.289 -1.723 567 H LYS 70 H LYS 70 -4.484 -9.734 -5.239 568 HA LYS 70 HA LYS 70 -4.897 -8.435 -2.775 569 1HB LYS 70 2HB LYS 70 -2.857 -9.689 -3.264 570 2HB LYS 70 3HB LYS 70 -2.427 -8.533 -4.518 571 1HG LYS 70 2HG LYS 70 -1.730 -6.965 -3.032 572 2HG LYS 70 3HG LYS 70 -2.874 -7.474 -1.788 573 1HD LYS 70 2HD LYS 70 -0.512 -9.149 -2.607 574 2HD LYS 70 3HD LYS 70 -0.422 -7.936 -1.328 575 1HE LYS 70 2HE LYS 70 -2.521 -9.190 -0.402 576 2HE LYS 70 3HE LYS 70 -1.929 -10.513 -1.405 577 1HZ LYS 70 1HZ LYS 70 -0.690 -11.005 0.369 578 2HZ LYS 70 2HZ LYS 70 -0.887 -9.480 1.073 579 3HZ LYS 70 3HZ LYS 70 0.297 -9.718 -0.111 580 H VAL 71 H VAL 71 -3.738 -7.147 -5.890 581 HA VAL 71 HA VAL 71 -3.617 -4.456 -5.062 582 HB VAL 71 HB VAL 71 -3.646 -3.915 -7.495 583 1HG1 VAL 71 1HG1 VAL 71 -1.635 -5.663 -7.929 584 2HG1 VAL 71 2HG1 VAL 71 -1.479 -4.206 -6.946 585 3HG1 VAL 71 3HG1 VAL 71 -1.774 -5.764 -6.174 586 1HG2 VAL 71 1HG2 VAL 71 -4.859 -5.359 -8.725 587 2HG2 VAL 71 2HG2 VAL 71 -3.345 -6.260 -8.813 588 3HG2 VAL 71 3HG2 VAL 71 -4.568 -6.706 -7.624 589 H ARG 72 H ARG 72 -6.182 -6.364 -6.564 590 HA ARG 72 HA ARG 72 -7.971 -4.302 -7.144 591 1HB ARG 72 2HB ARG 72 -8.245 -7.228 -6.611 592 2HB ARG 72 3HB ARG 72 -9.701 -6.244 -6.664 593 1HG ARG 72 2HG ARG 72 -7.664 -6.284 -8.874 594 2HG ARG 72 3HG ARG 72 -9.059 -7.363 -8.816 595 1HD ARG 72 2HD ARG 72 -9.285 -4.365 -8.679 596 2HD ARG 72 3HD ARG 72 -9.341 -5.267 -10.193 597 HE ARG 72 HE ARG 72 -11.415 -5.075 -8.209 598 1HH1 ARG 72 2HH1 ARG 72 -10.121 -6.954 -10.839 599 2HH1 ARG 72 1HH1 ARG 72 -11.631 -7.721 -11.205 600 1HH2 ARG 72 2HH2 ARG 72 -13.408 -6.078 -8.681 601 2HH2 ARG 72 1HH2 ARG 72 -13.500 -7.222 -9.977 602 H GLU 73 H GLU 73 -7.837 -6.379 -4.248 603 HA GLU 73 HA GLU 73 -9.854 -4.920 -2.867 604 1HB GLU 73 2HB GLU 73 -9.331 -6.299 -0.974 605 2HB GLU 73 3HB GLU 73 -9.268 -7.304 -2.415 606 1HG GLU 73 2HG GLU 73 -6.807 -7.057 -2.426 607 2HG GLU 73 3HG GLU 73 -6.925 -6.167 -0.909 608 H LYS 74 H LYS 74 -6.352 -4.768 -2.985 609 HA LYS 74 HA LYS 74 -5.927 -3.121 -0.749 610 1HB LYS 74 2HB LYS 74 -4.099 -4.299 -1.840 611 2HB LYS 74 3HB LYS 74 -4.339 -3.365 -3.310 612 1HG LYS 74 2HG LYS 74 -2.437 -2.515 -2.109 613 2HG LYS 74 3HG LYS 74 -3.735 -1.319 -2.082 614 1HD LYS 74 2HD LYS 74 -2.796 -1.406 0.109 615 2HD LYS 74 3HD LYS 74 -4.372 -2.197 0.179 616 1HE LYS 74 2HE LYS 74 -3.470 -4.264 0.521 617 2HE LYS 74 3HE LYS 74 -2.004 -3.894 -0.384 618 1HZ LYS 74 1HZ LYS 74 -1.159 -2.651 1.443 619 2HZ LYS 74 2HZ LYS 74 -1.667 -4.148 2.044 620 3HZ LYS 74 3HZ LYS 74 -2.618 -2.770 2.292 621 H PHE 75 H PHE 75 -6.236 -2.264 -4.194 622 HA PHE 75 HA PHE 75 -6.160 0.535 -3.743 623 1HB PHE 75 2HB PHE 75 -6.083 0.640 -5.984 624 2HB PHE 75 3HB PHE 75 -6.074 -1.120 -5.965 625 HD1 PHE 75 HD1 PHE 75 -8.144 1.872 -6.432 626 HD2 PHE 75 HD2 PHE 75 -8.008 -2.379 -6.597 627 HE1 PHE 75 HE1 PHE 75 -10.276 1.855 -7.660 628 HE2 PHE 75 HE2 PHE 75 -10.139 -2.403 -7.826 629 HZ PHE 75 HZ PHE 75 -11.275 -0.285 -8.360 630 H ASP 76 H ASP 76 -8.751 -1.826 -3.943 631 HA ASP 76 HA ASP 76 -10.927 -0.079 -4.156 632 1HB ASP 76 2HB ASP 76 -11.269 -2.424 -4.513 633 2HB ASP 76 3HB ASP 76 -10.690 -2.814 -2.895 634 H GLU 77 H GLU 77 -9.412 -1.483 -1.257 635 HA GLU 77 HA GLU 77 -11.086 -0.108 0.576 636 1HB GLU 77 2HB GLU 77 -8.446 -1.527 0.849 637 2HB GLU 77 3HB GLU 77 -9.197 -0.710 2.212 638 1HG GLU 77 2HG GLU 77 -10.743 -2.718 0.637 639 2HG GLU 77 3HG GLU 77 -9.583 -3.244 1.855 640 H ASN 78 H ASN 78 -7.753 0.469 -0.526 641 HA ASN 78 HA ASN 78 -7.153 2.696 0.989 642 1HB ASN 78 2HB ASN 78 -6.321 1.897 -1.795 643 2HB ASN 78 3HB ASN 78 -5.696 3.352 -1.024 644 1HD2 ASN 78 1HD2 ASN 78 -3.967 1.431 -1.788 645 2HD2 ASN 78 2HD2 ASN 78 -3.318 0.619 -0.408 646 H SER 79 H SER 79 -9.060 2.465 -1.954 647 HA SER 79 HA SER 79 -9.294 5.301 -2.309 648 1HB SER 79 2HB SER 79 -9.492 3.582 -4.154 649 2HB SER 79 3HB SER 79 -11.073 3.162 -3.494 650 HG SER 79 HG SER 79 -10.631 4.998 -5.228 651 H ARG 80 H ARG 80 -11.356 2.745 -0.987 652 HA ARG 80 HA ARG 80 -13.540 4.496 -0.410 653 1HB ARG 80 2HB ARG 80 -14.648 2.631 0.338 654 2HB ARG 80 3HB ARG 80 -13.442 1.870 -0.692 655 1HG ARG 80 2HG ARG 80 -13.152 0.576 1.129 656 2HG ARG 80 3HG ARG 80 -12.083 1.896 1.609 657 1HD ARG 80 2HD ARG 80 -13.443 2.554 3.273 658 2HD ARG 80 3HD ARG 80 -14.901 2.289 2.317 659 HE ARG 80 HE ARG 80 -13.866 -0.208 2.981 660 1HH1 ARG 80 2HH1 ARG 80 -15.227 2.567 4.583 661 2HH1 ARG 80 1HH1 ARG 80 -15.877 1.649 5.902 662 1HH2 ARG 80 2HH2 ARG 80 -14.717 -1.427 4.711 663 2HH2 ARG 80 1HH2 ARG 80 -15.585 -0.622 5.974 664 H MET 81 H MET 81 -10.537 4.107 0.991 665 HA MET 81 HA MET 81 -10.800 4.105 3.690 666 1HB MET 81 2HB MET 81 -8.971 5.587 1.854 667 2HB MET 81 3HB MET 81 -8.923 5.965 3.571 668 1HG MET 81 2HG MET 81 -8.594 3.196 2.445 669 2HG MET 81 3HG MET 81 -7.257 4.277 2.833 670 1HE MET 81 1HE MET 81 -8.582 1.266 3.861 671 2HE MET 81 2HE MET 81 -9.091 1.320 5.549 672 3HE MET 81 3HE MET 81 -10.132 1.989 4.292 673 H GLN 82 H GLN 82 -10.975 5.753 5.316 674 HA GLN 82 HA GLN 82 -13.150 7.514 4.880 675 1HB GLN 82 2HB GLN 82 -11.204 7.559 7.189 676 2HB GLN 82 3HB GLN 82 -12.841 8.201 7.171 677 1HG GLN 82 2HG GLN 82 -13.669 5.878 6.810 678 2HG GLN 82 3HG GLN 82 -12.017 5.313 7.048 679 1HE2 GLN 82 1HE2 GLN 82 -14.569 4.943 8.576 680 2HE2 GLN 82 2HE2 GLN 82 -14.169 5.370 10.201 681 H TYR 83 H TYR 83 -13.055 9.874 5.442 682 HA TYR 83 HA TYR 83 -11.348 11.216 3.653 683 1HB TYR 83 2HB TYR 83 -13.565 11.875 5.336 684 2HB TYR 83 3HB TYR 83 -12.296 13.069 5.587 685 HD1 TYR 83 HD1 TYR 83 -15.117 12.356 3.707 686 HD2 TYR 83 HD2 TYR 83 -11.159 13.853 3.261 687 HE1 TYR 83 HE1 TYR 83 -15.788 13.495 1.633 688 HE2 TYR 83 HE2 TYR 83 -11.820 14.997 1.186 689 HH TYR 83 HH TYR 83 -14.886 14.433 -0.327 690 H SER 84 H SER 84 -11.148 10.602 7.101 691 HA SER 84 HA SER 84 -9.193 12.413 7.850 692 1HB SER 84 2HB SER 84 -9.135 9.607 8.914 693 2HB SER 84 3HB SER 84 -8.903 11.129 9.775 694 HG SER 84 HG SER 84 -10.943 10.228 10.229 695 H GLU 85 H GLU 85 -8.710 9.069 6.713 696 HA GLU 85 HA GLU 85 -5.875 9.306 6.607 697 1HB GLU 85 2HB GLU 85 -6.442 7.100 6.786 698 2HB GLU 85 3HB GLU 85 -7.891 7.281 5.806 699 1HG GLU 85 2HG GLU 85 -6.758 7.003 3.829 700 2HG GLU 85 3HG GLU 85 -5.219 7.523 4.513 701 H LEU 86 H LEU 86 -8.453 9.518 4.192 702 HA LEU 86 HA LEU 86 -6.887 9.694 1.898 703 1HB LEU 86 2HB LEU 86 -9.562 9.808 2.467 704 2HB LEU 86 3HB LEU 86 -9.231 11.445 1.904 705 HG LEU 86 HG LEU 86 -9.998 10.180 0.042 706 1HD1 LEU 86 1HD1 LEU 86 -8.222 11.701 -0.499 707 2HD1 LEU 86 2HD1 LEU 86 -8.020 10.232 -1.452 708 3HD1 LEU 86 3HD1 LEU 86 -7.004 10.512 -0.039 709 1HD2 LEU 86 1HD2 LEU 86 -7.808 8.179 0.571 710 2HD2 LEU 86 2HD2 LEU 86 -9.068 8.093 -0.660 711 3HD2 LEU 86 3HD2 LEU 86 -9.491 7.951 1.047 712 H MET 87 H MET 87 -7.822 12.179 4.215 713 HA MET 87 HA MET 87 -6.552 14.278 2.677 714 1HB MET 87 2HB MET 87 -8.118 14.146 5.217 715 2HB MET 87 3HB MET 87 -7.082 15.540 4.937 716 1HG MET 87 2HG MET 87 -9.217 14.605 3.036 717 2HG MET 87 3HG MET 87 -9.439 15.865 4.248 718 1HE MET 87 1HE MET 87 -8.032 16.295 0.087 719 2HE MET 87 2HE MET 87 -7.056 15.085 0.920 720 3HE MET 87 3HE MET 87 -8.814 14.946 0.910 721 H THR 88 H THR 88 -5.959 12.482 5.665 722 HA THR 88 HA THR 88 -3.696 13.887 6.531 723 HB THR 88 HB THR 88 -4.449 10.990 6.950 724 HG1 THR 88 HG1 THR 88 -4.943 11.956 9.097 725 1HG2 THR 88 1HG2 THR 88 -2.406 12.613 8.468 726 2HG2 THR 88 2HG2 THR 88 -2.011 11.400 7.251 727 3HG2 THR 88 3HG2 THR 88 -2.833 10.924 8.736 728 H LYS 89 H LYS 89 -3.924 10.926 4.566 729 HA LYS 89 HA LYS 89 -1.126 10.696 4.152 730 1HB LYS 89 2HB LYS 89 -3.550 9.328 3.264 731 2HB LYS 89 3HB LYS 89 -2.309 9.392 2.019 732 1HG LYS 89 2HG LYS 89 -2.321 7.369 3.556 733 2HG LYS 89 3HG LYS 89 -0.779 8.193 3.318 734 1HD LYS 89 2HD LYS 89 -1.233 7.583 5.685 735 2HD LYS 89 3HD LYS 89 -0.985 9.313 5.434 736 1HE LYS 89 2HE LYS 89 -2.990 9.765 6.278 737 2HE LYS 89 3HE LYS 89 -3.762 8.679 5.123 738 1HZ LYS 89 1HZ LYS 89 -4.329 7.754 7.136 739 2HZ LYS 89 2HZ LYS 89 -2.847 8.120 7.864 740 3HZ LYS 89 3HZ LYS 89 -2.949 6.858 6.742 741 H TYR 90 H TYR 90 -3.285 12.943 3.022 742 HA TYR 90 HA TYR 90 -1.898 13.323 0.466 743 1HB TYR 90 2HB TYR 90 -4.229 13.385 0.132 744 2HB TYR 90 3HB TYR 90 -4.499 14.357 1.574 745 HD1 TYR 90 HD1 TYR 90 -5.455 16.359 0.918 746 HD2 TYR 90 HD2 TYR 90 -2.186 14.812 -1.324 747 HE1 TYR 90 HE1 TYR 90 -5.435 18.402 -0.451 748 HE2 TYR 90 HE2 TYR 90 -2.157 16.852 -2.699 749 HH TYR 90 HH TYR 90 -3.979 19.651 -1.873 750 H HIS 91 H HIS 91 -2.864 15.140 3.366 751 HA HIS 91 HA HIS 91 -0.995 17.272 2.652 752 1HB HIS 91 2HB HIS 91 -3.494 17.171 4.039 753 2HB HIS 91 3HB HIS 91 -2.270 17.810 5.133 754 HD1 HIS 91 HD1 HIS 91 -2.748 18.428 1.409 755 HD2 HIS 91 HD2 HIS 91 -2.611 20.491 5.012 756 HE1 HIS 91 HE1 HIS 91 -2.913 20.862 0.797 757 H ASP 92 H ASP 92 -1.766 15.239 5.476 758 HA ASP 92 HA ASP 92 0.418 15.966 7.049 759 1HB ASP 92 2HB ASP 92 -1.720 14.226 7.300 760 2HB ASP 92 3HB ASP 92 -0.321 13.156 7.335 761 H LEU 93 H LEU 93 0.281 14.037 4.221 762 HA LEU 93 HA LEU 93 2.821 12.719 4.755 763 1HB LEU 93 2HB LEU 93 0.651 12.446 2.771 764 2HB LEU 93 3HB LEU 93 2.276 12.064 2.206 765 HG LEU 93 HG LEU 93 0.737 10.724 4.422 766 1HD1 LEU 93 1HD1 LEU 93 1.444 8.737 2.872 767 2HD1 LEU 93 2HD1 LEU 93 1.564 10.004 1.652 768 3HD1 LEU 93 3HD1 LEU 93 0.034 9.722 2.482 769 1HD2 LEU 93 1HD2 LEU 93 2.800 9.237 4.507 770 2HD2 LEU 93 2HD2 LEU 93 2.927 10.825 5.265 771 3HD2 LEU 93 3HD2 LEU 93 3.642 10.545 3.676 772 H LYS 94 H LYS 94 1.967 15.710 3.814 773 HA LYS 94 HA LYS 94 3.142 16.493 1.539 774 1HB LYS 94 2HB LYS 94 2.725 17.708 4.131 775 2HB LYS 94 3HB LYS 94 4.201 18.313 3.391 776 1HG LYS 94 2HG LYS 94 3.044 19.618 2.031 777 2HG LYS 94 3HG LYS 94 2.101 18.247 1.444 778 1HD LYS 94 2HD LYS 94 0.846 20.191 2.561 779 2HD LYS 94 3HD LYS 94 0.439 18.546 3.056 780 1HE LYS 94 2HE LYS 94 1.410 18.782 5.117 781 2HE LYS 94 3HE LYS 94 2.568 19.985 4.554 782 1HZ LYS 94 1HZ LYS 94 1.233 21.452 5.536 783 2HZ LYS 94 2HZ LYS 94 -0.046 20.354 5.675 784 3HZ LYS 94 3HZ LYS 94 0.172 21.218 4.238 785 H LYS 95 H LYS 95 4.964 15.946 4.552 786 HA LYS 95 HA LYS 95 7.498 16.251 3.236 787 1HB LYS 95 2HB LYS 95 6.879 15.144 5.981 788 2HB LYS 95 3HB LYS 95 8.462 15.643 5.398 789 1HG LYS 95 2HG LYS 95 6.156 17.555 5.506 790 2HG LYS 95 3HG LYS 95 7.184 17.252 6.909 791 1HD LYS 95 2HD LYS 95 8.386 18.960 6.048 792 2HD LYS 95 3HD LYS 95 9.068 17.686 5.034 793 1HE LYS 95 2HE LYS 95 8.498 19.270 3.462 794 2HE LYS 95 3HE LYS 95 7.060 18.249 3.468 795 1HZ LYS 95 1HZ LYS 95 6.249 19.922 5.244 796 2HZ LYS 95 2HZ LYS 95 6.173 20.349 3.610 797 3HZ LYS 95 3HZ LYS 95 7.421 20.947 4.582 798 H GLN 96 H GLN 96 5.600 13.533 4.484 799 HA GLN 96 HA GLN 96 7.564 11.615 3.550 800 1HB GLN 96 2HB GLN 96 4.998 11.445 5.084 801 2HB GLN 96 3HB GLN 96 5.653 10.000 4.325 802 1HG GLN 96 2HG GLN 96 7.174 11.731 6.259 803 2HG GLN 96 3HG GLN 96 6.277 10.282 6.710 804 1HE2 GLN 96 1HE2 GLN 96 7.193 8.331 6.434 805 2HE2 GLN 96 2HE2 GLN 96 8.758 8.071 5.751 806 H GLY 97 H GLY 97 6.355 13.284 1.548 807 1HA GLY 97 2HA GLY 97 6.026 11.710 -0.586 808 2HA GLY 97 3HA GLY 97 4.437 11.598 0.157 809 H LYS 98 H LYS 98 5.589 12.861 -2.388 810 HA LYS 98 HA LYS 98 4.498 15.567 -1.991 811 1HB LYS 98 2HB LYS 98 5.778 16.240 -3.956 812 2HB LYS 98 3HB LYS 98 6.834 15.518 -2.749 813 1HG LYS 98 2HG LYS 98 7.624 14.485 -4.611 814 2HG LYS 98 3HG LYS 98 6.365 13.334 -4.156 815 1HD LYS 98 2HD LYS 98 4.988 13.950 -5.880 816 2HD LYS 98 3HD LYS 98 5.629 15.593 -5.948 817 1HE LYS 98 2HE LYS 98 7.391 13.297 -6.678 818 2HE LYS 98 3HE LYS 98 6.187 13.865 -7.835 819 1HZ LYS 98 1HZ LYS 98 7.280 16.169 -7.153 820 2HZ LYS 98 2HZ LYS 98 7.879 15.218 -8.416 821 3HZ LYS 98 3HZ LYS 98 8.618 15.165 -6.895 822 H ILE 99 H ILE 99 3.530 16.470 -4.105 823 HA ILE 99 HA ILE 99 2.117 14.446 -5.660 824 HB ILE 99 HB ILE 99 0.564 14.824 -3.863 825 1HG1 ILE 99 2HG1 ILE 99 -0.267 16.374 -6.326 826 2HG1 ILE 99 3HG1 ILE 99 -0.382 14.630 -6.120 827 1HG2 ILE 99 1HG2 ILE 99 1.537 17.014 -3.166 828 2HG2 ILE 99 2HG2 ILE 99 0.663 17.766 -4.499 829 3HG2 ILE 99 3HG2 ILE 99 -0.226 16.980 -3.195 830 1HD1 ILE 99 1HD1 ILE 99 -1.933 16.764 -4.692 831 2HD1 ILE 99 2HD1 ILE 99 -2.541 15.503 -5.764 832 3HD1 ILE 99 3HD1 ILE 99 -1.909 15.079 -4.173 833 H LYS 100 H LYS 100 1.458 15.134 -7.682 834 HA LYS 100 HA LYS 100 2.204 17.888 -8.418 835 1HB LYS 100 2HB LYS 100 2.472 15.504 -10.246 836 2HB LYS 100 3HB LYS 100 3.100 17.129 -10.494 837 1HG LYS 100 2HG LYS 100 4.518 16.710 -8.414 838 2HG LYS 100 3HG LYS 100 4.081 15.011 -8.612 839 1HD LYS 100 2HD LYS 100 6.047 15.098 -9.801 840 2HD LYS 100 3HD LYS 100 4.871 15.414 -11.079 841 1HE LYS 100 2HE LYS 100 5.235 17.880 -10.595 842 2HE LYS 100 3HE LYS 100 6.622 17.383 -9.627 843 1HZ LYS 100 1HZ LYS 100 6.482 17.737 -12.400 844 2HZ LYS 100 2HZ LYS 100 6.779 16.098 -12.107 845 3HZ LYS 100 3HZ LYS 100 7.817 17.273 -11.470 846 H ASP 101 H ASP 101 0.841 18.987 -9.764 847 HA ASP 101 HA ASP 101 -1.735 17.685 -10.311 848 1HB ASP 101 2HB ASP 101 -1.858 19.697 -8.924 849 2HB ASP 101 3HB ASP 101 -1.025 20.623 -10.170 850 H ARG 102 H ARG 102 -1.245 16.655 -12.243 851 HA ARG 102 HA ARG 102 -0.091 18.119 -14.444 852 1HB ARG 102 2HB ARG 102 -1.073 15.318 -14.038 853 2HB ARG 102 3HB ARG 102 -0.806 15.919 -15.669 854 1HG ARG 102 2HG ARG 102 1.347 16.202 -13.625 855 2HG ARG 102 3HG ARG 102 1.081 14.646 -14.415 856 1HD ARG 102 2HD ARG 102 1.279 15.796 -16.610 857 2HD ARG 102 3HD ARG 102 1.693 17.279 -15.750 858 HE ARG 102 HE ARG 102 3.395 15.139 -14.984 859 1HH1 ARG 102 2HH1 ARG 102 2.800 17.429 -17.538 860 2HH1 ARG 102 1HH1 ARG 102 4.443 17.441 -18.087 861 1HH2 ARG 102 2HH2 ARG 102 5.561 15.146 -15.698 862 2HH2 ARG 102 1HH2 ARG 102 6.013 16.142 -17.041 863 HA PRO 103 HA PRO 103 -3.732 19.564 -16.420 864 1HB PRO 103 2HB PRO 103 -3.160 19.166 -19.044 865 2HB PRO 103 3HB PRO 103 -2.379 20.417 -18.070 866 1HG PRO 103 2HG PRO 103 -1.371 17.703 -18.828 867 2HG PRO 103 3HG PRO 103 -0.507 19.251 -18.808 868 1HD PRO 103 2HD PRO 103 -0.262 17.421 -16.828 869 2HD PRO 103 3HD PRO 103 -0.154 19.168 -16.532 870 H VAL 104 H VAL 104 -5.718 18.833 -16.953 871 HA VAL 104 HA VAL 104 -6.112 15.982 -17.187 872 HB VAL 104 HB VAL 104 -7.610 17.438 -15.819 873 1HG1 VAL 104 1HG1 VAL 104 -7.658 19.315 -17.468 874 2HG1 VAL 104 2HG1 VAL 104 -8.734 18.335 -18.467 875 3HG1 VAL 104 3HG1 VAL 104 -9.242 18.842 -16.856 876 1HG2 VAL 104 1HG2 VAL 104 -8.882 15.846 -18.042 877 2HG2 VAL 104 2HG2 VAL 104 -8.358 15.240 -16.471 878 3HG2 VAL 104 3HG2 VAL 104 -9.713 16.364 -16.575 879 H LYS 105 H LYS 105 -6.690 14.852 -18.961 880 HA LYS 105 HA LYS 105 -6.583 16.249 -21.520 881 1HB LYS 105 2HB LYS 105 -5.502 13.874 -20.683 882 2HB LYS 105 3HB LYS 105 -6.935 13.332 -21.548 883 1HG LYS 105 2HG LYS 105 -5.155 13.344 -23.102 884 2HG LYS 105 3HG LYS 105 -6.173 14.734 -23.486 885 1HD LYS 105 2HD LYS 105 -4.598 16.134 -22.112 886 2HD LYS 105 3HD LYS 105 -3.534 14.728 -22.030 887 1HE LYS 105 2HE LYS 105 -3.404 14.692 -24.476 888 2HE LYS 105 3HE LYS 105 -4.466 16.098 -24.553 889 1HZ LYS 105 1HZ LYS 105 -2.230 16.553 -22.844 890 2HZ LYS 105 2HZ LYS 105 -2.764 17.451 -24.174 891 3HZ LYS 105 3HZ LYS 105 -1.733 16.130 -24.405 892 H GLU 106 H GLU 106 -8.215 16.229 -23.033 893 HA GLU 106 HA GLU 106 -10.877 15.951 -22.015 894 1HB GLU 106 2HB GLU 106 -11.603 16.792 -24.145 895 2HB GLU 106 3HB GLU 106 -10.189 17.709 -23.645 896 1HG GLU 106 2HG GLU 106 -8.812 16.217 -25.105 897 2HG GLU 106 3HG GLU 106 -10.318 15.531 -25.711 898 H VAL 107 H VAL 107 -12.319 14.348 -22.314 899 HA VAL 107 HA VAL 107 -11.413 12.000 -23.844 900 HB VAL 107 HB VAL 107 -13.041 12.265 -21.348 901 1HG1 VAL 107 1HG1 VAL 107 -13.618 9.804 -21.675 902 2HG1 VAL 107 2HG1 VAL 107 -14.546 10.976 -22.612 903 3HG1 VAL 107 3HG1 VAL 107 -13.247 10.061 -23.379 904 1HG2 VAL 107 1HG2 VAL 107 -11.258 11.306 -20.433 905 2HG2 VAL 107 2HG2 VAL 107 -11.361 9.948 -21.553 906 3HG2 VAL 107 3HG2 VAL 107 -10.452 11.392 -22.000 907 H HIS 108 H HIS 108 -12.748 11.048 -25.330 908 HA HIS 108 HA HIS 108 -15.277 12.450 -25.901 909 1HB HIS 108 2HB HIS 108 -13.125 12.436 -27.541 910 2HB HIS 108 3HB HIS 108 -13.953 10.988 -28.107 911 HD1 HIS 108 HD1 HIS 108 -15.474 11.457 -29.983 912 HD2 HIS 108 HD2 HIS 108 -15.173 14.704 -27.409 913 HE1 HIS 108 HE1 HIS 108 -16.932 13.245 -30.983 914 H GLU 109 H GLU 109 -16.702 10.999 -27.400 915 HA GLU 109 HA GLU 109 -17.218 8.590 -25.906 916 1HB GLU 109 2HB GLU 109 -19.110 8.383 -27.642 917 2HB GLU 109 3HB GLU 109 -19.176 9.716 -26.499 918 1HG GLU 109 2HG GLU 109 -19.055 11.245 -28.109 919 2HG GLU 109 3HG GLU 109 -17.749 10.398 -28.935 920 H GLU 110 H GLU 110 -16.362 6.679 -26.347 921 HA GLU 110 HA GLU 110 -16.358 5.371 -28.763 922 1HB GLU 110 2HB GLU 110 -14.340 7.377 -28.715 923 2HB GLU 110 3HB GLU 110 -13.540 5.812 -28.658 924 1HG GLU 110 2HG GLU 110 -14.185 5.246 -30.750 925 2HG GLU 110 3HG GLU 110 -15.709 6.124 -30.638 926 H TYR 111 H TYR 111 -14.112 3.822 -28.742 927 HA TYR 111 HA TYR 111 -14.216 2.607 -26.061 928 1HB TYR 111 2HB TYR 111 -13.661 1.256 -28.710 929 2HB TYR 111 3HB TYR 111 -13.775 0.460 -27.145 930 HD1 TYR 111 HD1 TYR 111 -15.705 2.286 -29.717 931 HD2 TYR 111 HD2 TYR 111 -15.880 -0.136 -26.223 932 HE1 TYR 111 HE1 TYR 111 -18.122 1.981 -30.057 933 HE2 TYR 111 HE2 TYR 111 -18.297 -0.448 -26.554 934 HH TYR 111 HH TYR 111 -20.098 1.403 -28.805 935 H ASP 112 H ASP 112 -12.470 4.077 -25.460 936 HA ASP 112 HA ASP 112 -9.854 3.201 -26.495 937 1HB ASP 112 2HB ASP 112 -9.134 5.467 -25.380 938 2HB ASP 112 3HB ASP 112 -9.873 5.462 -26.980 939 H LEU 113 H LEU 113 -11.217 4.647 -23.529 940 HA LEU 113 HA LEU 113 -9.224 3.717 -21.804 941 1HB LEU 113 2HB LEU 113 -12.082 4.117 -20.981 942 2HB LEU 113 3HB LEU 113 -10.622 4.366 -20.025 943 HG LEU 113 HG LEU 113 -11.637 6.094 -22.279 944 1HD1 LEU 113 1HD1 LEU 113 -11.619 7.802 -20.411 945 2HD1 LEU 113 2HD1 LEU 113 -11.428 6.445 -19.301 946 3HD1 LEU 113 3HD1 LEU 113 -12.864 6.555 -20.320 947 1HD2 LEU 113 1HD2 LEU 113 -9.006 5.988 -20.876 948 2HD2 LEU 113 2HD2 LEU 113 -9.659 7.548 -21.377 949 3HD2 LEU 113 3HD2 LEU 113 -9.365 6.288 -22.577 950 H TRP 114 H TRP 114 -10.312 2.362 -19.740 951 HA TRP 114 HA TRP 114 -10.204 -0.312 -20.591 952 1HB TRP 114 2HB TRP 114 -11.030 0.995 -18.009 953 2HB TRP 114 3HB TRP 114 -11.128 -0.751 -18.219 954 HD1 TRP 114 HD1 TRP 114 -8.953 1.492 -16.609 955 HE1 TRP 114 HE1 TRP 114 -6.502 0.706 -16.596 956 HE3 TRP 114 HE3 TRP 114 -9.211 -2.030 -20.306 957 HZ2 TRP 114 HZ2 TRP 114 -4.891 -1.159 -17.972 958 HZ3 TRP 114 HZ3 TRP 114 -7.170 -3.270 -20.898 959 HH2 TRP 114 HH2 TRP 114 -5.055 -2.842 -19.754 960 H GLU 115 H GLU 115 -12.946 1.749 -19.702 961 HA GLU 115 HA GLU 115 -15.208 1.395 -19.814 962 1HB GLU 115 2HB GLU 115 -14.123 0.468 -22.455 963 2HB GLU 115 3HB GLU 115 -15.850 0.405 -22.130 964 1HG GLU 115 2HG GLU 115 -15.557 2.893 -21.465 965 2HG GLU 115 3HG GLU 115 -14.062 2.779 -22.391 966 H ASP 116 H ASP 116 -14.855 -0.262 -18.051 967 HA ASP 116 HA ASP 116 -16.486 -2.489 -18.497 968 1HB ASP 116 2HB ASP 116 -13.668 -2.896 -19.117 969 2HB ASP 116 3HB ASP 116 -14.245 -4.006 -17.877 970 HA PRO 117 HA PRO 117 -14.478 -2.917 -14.134 971 1HB PRO 117 2HB PRO 117 -12.349 -1.332 -13.564 972 2HB PRO 117 3HB PRO 117 -12.186 -2.933 -14.294 973 1HG PRO 117 2HG PRO 117 -12.128 -0.240 -15.601 974 2HG PRO 117 3HG PRO 117 -11.086 -1.646 -15.889 975 1HD PRO 117 2HD PRO 117 -13.157 -1.011 -17.513 976 2HD PRO 117 3HD PRO 117 -12.647 -2.687 -17.227 977 H ILE 118 H ILE 118 -13.688 0.435 -15.087 978 HA ILE 118 HA ILE 118 -15.094 1.488 -12.801 979 HB ILE 118 HB ILE 118 -14.242 3.580 -13.357 980 1HG1 ILE 118 2HG1 ILE 118 -15.158 3.619 -15.664 981 2HG1 ILE 118 3HG1 ILE 118 -13.521 4.261 -15.573 982 1HG2 ILE 118 1HG2 ILE 118 -12.247 1.648 -14.531 983 2HG2 ILE 118 2HG2 ILE 118 -11.897 3.246 -13.874 984 3HG2 ILE 118 3HG2 ILE 118 -12.473 1.962 -12.810 985 1HD1 ILE 118 1HD1 ILE 118 -13.761 2.879 -17.527 986 2HD1 ILE 118 2HD1 ILE 118 -12.664 2.103 -16.385 987 3HD1 ILE 118 3HD1 ILE 118 -14.324 1.529 -16.543 988 H TRP 119 H TRP 119 -15.952 0.560 -15.925 989 HA TRP 119 HA TRP 119 -17.853 2.469 -16.663 990 1HB TRP 119 2HB TRP 119 -17.058 0.699 -18.174 991 2HB TRP 119 3HB TRP 119 -17.885 -0.510 -17.195 992 HD1 TRP 119 HD1 TRP 119 -20.080 -1.249 -18.255 993 HE1 TRP 119 HE1 TRP 119 -21.892 -0.160 -19.723 994 HE3 TRP 119 HE3 TRP 119 -18.098 3.447 -18.641 995 HZ2 TRP 119 HZ2 TRP 119 -22.412 2.356 -20.890 996 HZ3 TRP 119 HZ3 TRP 119 -19.315 5.137 -19.952 997 HH2 TRP 119 HH2 TRP 119 -21.427 4.601 -21.053 998 H GLN 120 H GLN 120 -17.925 0.071 -14.195 999 HA GLN 120 HA GLN 120 -20.804 0.543 -13.790 1000 1HB GLN 120 2HB GLN 120 -20.300 -1.803 -14.188 1001 2HB GLN 120 3HB GLN 120 -19.090 -1.786 -12.912 1002 1HG GLN 120 2HG GLN 120 -20.973 -2.819 -11.981 1003 2HG GLN 120 3HG GLN 120 -20.963 -1.183 -11.326 1004 1HE2 GLN 120 1HE2 GLN 120 -23.218 -1.593 -10.881 1005 2HE2 GLN 120 2HE2 GLN 120 -24.388 -1.361 -12.130 1006 H TYR 121 H TYR 121 -18.215 -0.595 -11.638 1007 HA TYR 121 HA TYR 121 -19.163 1.263 -9.596 1008 1HB TYR 121 2HB TYR 121 -17.408 -1.175 -9.554 1009 2HB TYR 121 3HB TYR 121 -17.418 -0.056 -8.196 1010 HD1 TYR 121 HD1 TYR 121 -19.288 0.057 -6.695 1011 HD2 TYR 121 HD2 TYR 121 -19.430 -2.462 -10.121 1012 HE1 TYR 121 HE1 TYR 121 -21.283 -1.057 -5.786 1013 HE2 TYR 121 HE2 TYR 121 -21.426 -3.582 -9.222 1014 HH TYR 121 HH TYR 121 -22.521 -3.959 -7.088 1015 H ILE 122 H ILE 122 -17.092 1.865 -8.084 1016 HA ILE 122 HA ILE 122 -15.830 3.987 -9.309 1017 HB ILE 122 HB ILE 122 -14.113 3.797 -7.445 1018 1HG1 ILE 122 2HG1 ILE 122 -15.941 1.563 -6.539 1019 2HG1 ILE 122 3HG1 ILE 122 -14.332 1.319 -7.208 1020 1HG2 ILE 122 1HG2 ILE 122 -16.315 3.853 -5.759 1021 2HG2 ILE 122 2HG2 ILE 122 -15.602 5.223 -6.609 1022 3HG2 ILE 122 3HG2 ILE 122 -16.951 4.345 -7.328 1023 1HD1 ILE 122 1HD1 ILE 122 -13.457 1.574 -5.198 1024 2HD1 ILE 122 2HD1 ILE 122 -14.139 3.197 -5.090 1025 3HD1 ILE 122 3HD1 ILE 122 -15.071 1.809 -4.529
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