NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20940 | 2grg | 7085 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -17.053 8.450 -6.784 2 HA MET 1 HA MET 1 -18.776 8.076 -4.406 3 1HB MET 1 1HB MET 1 -18.513 6.497 -6.964 4 2HB MET 1 2HB MET 1 -19.275 5.860 -5.513 5 1HG MET 1 1HG MET 1 -20.160 8.287 -7.055 6 2HG MET 1 2HG MET 1 -20.923 6.698 -7.085 7 1HE MET 1 1HE MET 1 -22.222 5.630 -5.036 8 2HE MET 1 2HE MET 1 -22.308 6.375 -3.440 9 3HE MET 1 3HE MET 1 -20.764 5.790 -4.057 10 H LYS 2 H LYS 2 -15.794 7.419 -6.063 11 HA LYS 2 HA LYS 2 -15.026 5.262 -4.316 12 1HB LYS 2 1HB LYS 2 -14.211 5.777 -6.740 13 2HB LYS 2 2HB LYS 2 -13.106 6.895 -5.954 14 1HG LYS 2 1HG LYS 2 -11.939 4.860 -6.305 15 2HG LYS 2 2HG LYS 2 -12.280 4.980 -4.576 16 1HD LYS 2 1HD LYS 2 -12.713 2.721 -5.376 17 2HD LYS 2 2HD LYS 2 -14.215 3.495 -4.864 18 1HE LYS 2 1HE LYS 2 -14.648 4.077 -7.248 19 2HE LYS 2 2HE LYS 2 -13.227 3.135 -7.692 20 1HZ LYS 2 1HZ LYS 2 -15.576 2.039 -6.245 21 2HZ LYS 2 2HZ LYS 2 -14.259 1.156 -6.859 22 3HZ LYS 2 3HZ LYS 2 -15.342 1.921 -7.917 23 H SER 3 H SER 3 -13.782 8.545 -4.856 24 HA SER 3 HA SER 3 -13.016 10.157 -3.483 25 1HB SER 3 1HB SER 3 -14.255 8.454 -1.315 26 2HB SER 3 2HB SER 3 -13.549 10.046 -1.036 27 HG SER 3 HG SER 3 -15.972 9.365 -2.127 28 H SER 4 H SER 4 -11.039 10.641 -2.810 29 HA SER 4 HA SER 4 -9.180 8.518 -2.226 30 1HB SER 4 1HB SER 4 -8.771 11.520 -2.287 31 2HB SER 4 2HB SER 4 -7.497 10.301 -2.232 32 HG SER 4 HG SER 4 -8.502 11.312 -4.382 33 H ILE 5 H ILE 5 -9.205 7.682 -0.266 34 HA ILE 5 HA ILE 5 -10.309 9.215 1.959 35 HB ILE 5 HB ILE 5 -9.746 6.254 1.654 36 1HG1 ILE 5 1HG1 ILE 5 -12.377 7.745 1.687 37 2HG1 ILE 5 2HG1 ILE 5 -11.566 7.191 0.227 38 1HG2 ILE 5 1HG2 ILE 5 -9.616 6.948 4.004 39 2HG2 ILE 5 2HG2 ILE 5 -11.020 5.927 3.697 40 3HG2 ILE 5 3HG2 ILE 5 -11.219 7.670 3.872 41 1HD1 ILE 5 1HD1 ILE 5 -11.815 4.888 0.939 42 2HD1 ILE 5 2HD1 ILE 5 -13.380 5.701 0.921 43 3HD1 ILE 5 3HD1 ILE 5 -12.551 5.417 2.452 44 HA PRO 6 HA PRO 6 -6.335 9.941 3.730 45 1HB PRO 6 1HB PRO 6 -7.037 10.125 6.370 46 2HB PRO 6 2HB PRO 6 -7.262 11.419 5.191 47 1HG PRO 6 1HG PRO 6 -9.237 9.437 6.236 48 2HG PRO 6 2HG PRO 6 -9.454 11.164 5.893 49 1HD PRO 6 1HD PRO 6 -10.330 9.238 4.222 50 2HD PRO 6 2HD PRO 6 -9.742 10.805 3.633 51 H ILE 7 H ILE 7 -4.703 8.995 4.980 52 HA ILE 7 HA ILE 7 -4.764 6.168 4.916 53 HB ILE 7 HB ILE 7 -2.710 7.447 4.503 54 1HG1 ILE 7 1HG1 ILE 7 -1.172 6.039 5.835 55 2HG1 ILE 7 2HG1 ILE 7 -2.520 5.570 6.867 56 1HG2 ILE 7 1HG2 ILE 7 -3.000 9.219 6.126 57 2HG2 ILE 7 2HG2 ILE 7 -1.447 8.417 6.362 58 3HG2 ILE 7 3HG2 ILE 7 -2.793 8.069 7.448 59 1HD1 ILE 7 1HD1 ILE 7 -3.610 4.511 4.973 60 2HD1 ILE 7 2HD1 ILE 7 -1.991 3.856 5.228 61 3HD1 ILE 7 3HD1 ILE 7 -2.283 5.008 3.923 62 H THR 8 H THR 8 -5.380 8.490 7.423 63 HA THR 8 HA THR 8 -4.996 6.905 9.690 64 HB THR 8 HB THR 8 -5.423 9.325 9.808 65 HG1 THR 8 HG1 THR 8 -5.923 7.963 11.647 66 1HG2 THR 8 1HG2 THR 8 -7.113 9.506 8.056 67 2HG2 THR 8 2HG2 THR 8 -7.693 10.214 9.563 68 3HG2 THR 8 3HG2 THR 8 -8.262 8.622 9.060 69 H GLU 9 H GLU 9 -7.511 6.871 7.303 70 HA GLU 9 HA GLU 9 -9.153 5.064 8.905 71 1HB GLU 9 1HB GLU 9 -9.635 6.371 6.220 72 2HB GLU 9 2HB GLU 9 -10.765 5.282 7.011 73 1HG GLU 9 1HG GLU 9 -9.802 7.868 8.208 74 2HG GLU 9 2HG GLU 9 -11.289 7.700 7.273 75 H VAL 10 H VAL 10 -7.424 5.199 5.806 76 HA VAL 10 HA VAL 10 -8.268 2.632 4.952 77 HB VAL 10 HB VAL 10 -5.918 4.276 4.003 78 1HG1 VAL 10 1HG1 VAL 10 -6.005 2.893 1.983 79 2HG1 VAL 10 2HG1 VAL 10 -7.269 1.904 2.715 80 3HG1 VAL 10 3HG1 VAL 10 -5.648 1.922 3.412 81 1HG2 VAL 10 1HG2 VAL 10 -7.435 4.868 2.145 82 2HG2 VAL 10 2HG2 VAL 10 -8.020 5.436 3.709 83 3HG2 VAL 10 3HG2 VAL 10 -8.737 4.007 2.965 84 H LEU 11 H LEU 11 -5.424 3.736 6.732 85 HA LEU 11 HA LEU 11 -3.789 1.524 6.450 86 1HB LEU 11 1HB LEU 11 -2.804 3.356 7.460 87 2HB LEU 11 2HB LEU 11 -4.121 3.585 8.593 88 HG LEU 11 HG LEU 11 -3.384 1.596 9.841 89 1HD1 LEU 11 1HD1 LEU 11 -1.070 1.581 7.909 90 2HD1 LEU 11 2HD1 LEU 11 -2.335 0.359 8.038 91 3HD1 LEU 11 3HD1 LEU 11 -1.203 0.599 9.369 92 1HD2 LEU 11 1HD2 LEU 11 -1.337 2.587 10.772 93 2HD2 LEU 11 2HD2 LEU 11 -2.617 3.776 10.533 94 3HD2 LEU 11 3HD2 LEU 11 -1.267 3.694 9.401 95 HA PRO 12 HA PRO 12 -5.693 -0.631 10.324 96 1HB PRO 12 1HB PRO 12 -8.093 0.318 11.238 97 2HB PRO 12 2HB PRO 12 -6.523 0.787 11.902 98 1HG PRO 12 1HG PRO 12 -8.257 2.225 9.938 99 2HG PRO 12 2HG PRO 12 -7.331 2.874 11.303 100 1HD PRO 12 1HD PRO 12 -6.455 3.065 8.767 101 2HD PRO 12 2HD PRO 12 -5.345 2.853 10.133 102 H ARG 13 H ARG 13 -7.909 0.726 7.915 103 HA ARG 13 HA ARG 13 -9.693 -1.522 7.989 104 1HB ARG 13 1HB ARG 13 -9.390 0.697 5.960 105 2HB ARG 13 2HB ARG 13 -10.688 -0.481 5.974 106 1HG ARG 13 1HG ARG 13 -11.441 0.360 8.137 107 2HG ARG 13 2HG ARG 13 -10.125 1.537 8.132 108 1HD ARG 13 1HD ARG 13 -11.054 2.422 5.977 109 2HD ARG 13 2HD ARG 13 -12.447 1.370 6.218 110 HE ARG 13 HE ARG 13 -11.699 3.451 8.172 111 1HH1 ARG 13 1HH1 ARG 13 -14.091 1.804 6.203 112 2HH1 ARG 13 2HH1 ARG 13 -15.404 2.807 6.747 113 1HH2 ARG 13 1HH2 ARG 13 -13.421 4.826 8.816 114 2HH2 ARG 13 2HH2 ARG 13 -15.027 4.511 8.215 115 H ALA 14 H ALA 14 -6.645 -1.043 6.634 116 HA ALA 14 HA ALA 14 -7.081 -2.599 4.239 117 1HB ALA 14 1HB ALA 14 -4.712 -2.262 3.816 118 2HB ALA 14 2HB ALA 14 -4.498 -1.597 5.436 119 3HB ALA 14 3HB ALA 14 -5.483 -0.737 4.252 120 H VAL 15 H VAL 15 -6.184 -4.596 3.778 121 HA VAL 15 HA VAL 15 -5.335 -6.199 6.105 122 HB VAL 15 HB VAL 15 -6.314 -8.173 4.918 123 1HG1 VAL 15 1HG1 VAL 15 -7.533 -7.131 6.734 124 2HG1 VAL 15 2HG1 VAL 15 -8.658 -7.650 5.479 125 3HG1 VAL 15 3HG1 VAL 15 -8.225 -5.947 5.626 126 1HG2 VAL 15 1HG2 VAL 15 -6.334 -7.260 2.658 127 2HG2 VAL 15 2HG2 VAL 15 -7.534 -6.061 3.141 128 3HG2 VAL 15 3HG2 VAL 15 -7.952 -7.774 3.140 129 H GLY 16 H GLY 16 -4.167 -4.713 3.545 130 1HA GLY 16 1HA GLY 16 -1.904 -6.482 3.320 131 2HA GLY 16 2HA GLY 16 -2.846 -6.329 1.837 132 H SER 17 H SER 17 -0.095 -5.417 2.342 133 HA SER 17 HA SER 17 -0.475 -2.680 1.475 134 1HB SER 17 1HB SER 17 1.176 -3.284 3.938 135 2HB SER 17 2HB SER 17 0.961 -1.703 3.189 136 HG SER 17 HG SER 17 -1.451 -2.619 3.610 137 H LEU 18 H LEU 18 0.882 -2.206 -0.080 138 HA LEU 18 HA LEU 18 3.311 -3.834 -0.403 139 1HB LEU 18 1HB LEU 18 1.453 -2.501 -2.317 140 2HB LEU 18 2HB LEU 18 3.133 -2.702 -2.770 141 HG LEU 18 HG LEU 18 1.351 -4.972 -1.931 142 1HD1 LEU 18 1HD1 LEU 18 2.108 -4.043 -4.696 143 2HD1 LEU 18 2HD1 LEU 18 0.495 -3.990 -3.981 144 3HD1 LEU 18 3HD1 LEU 18 1.262 -5.543 -4.316 145 1HD2 LEU 18 1HD2 LEU 18 4.016 -4.941 -3.331 146 2HD2 LEU 18 2HD2 LEU 18 3.089 -6.368 -2.865 147 3HD2 LEU 18 3HD2 LEU 18 3.767 -5.313 -1.625 148 H THR 19 H THR 19 5.162 -2.843 0.109 149 HA THR 19 HA THR 19 5.266 0.079 0.094 150 HB THR 19 HB THR 19 7.344 -1.901 1.057 151 HG1 THR 19 HG1 THR 19 5.271 -1.724 2.269 152 1HG2 THR 19 1HG2 THR 19 7.157 1.092 1.402 153 2HG2 THR 19 2HG2 THR 19 8.330 0.231 0.406 154 3HG2 THR 19 3HG2 THR 19 8.357 0.047 2.159 155 H PHE 20 H PHE 20 5.810 0.992 -1.745 156 HA PHE 20 HA PHE 20 7.766 -0.312 -3.516 157 1HB PHE 20 1HB PHE 20 5.527 1.637 -4.020 158 2HB PHE 20 2HB PHE 20 6.858 1.496 -5.156 159 HD1 PHE 20 HD1 PHE 20 4.373 -0.645 -3.381 160 HD2 PHE 20 HD2 PHE 20 6.650 0.064 -6.902 161 HE1 PHE 20 HE1 PHE 20 3.206 -2.495 -4.511 162 HE2 PHE 20 HE2 PHE 20 5.496 -1.792 -8.030 163 HZ PHE 20 HZ PHE 20 3.769 -3.065 -6.830 164 H ASP 21 H ASP 21 9.405 0.965 -4.447 165 HA ASP 21 HA ASP 21 10.284 3.206 -2.827 166 1HB ASP 21 1HB ASP 21 11.924 1.523 -3.570 167 2HB ASP 21 2HB ASP 21 11.541 1.882 -5.250 168 H GLU 22 H GLU 22 11.128 5.203 -4.100 169 HA GLU 22 HA GLU 22 8.914 6.298 -5.491 170 1HB GLU 22 1HB GLU 22 10.312 8.283 -5.758 171 2HB GLU 22 2HB GLU 22 10.352 7.692 -4.108 172 1HG GLU 22 1HG GLU 22 12.523 6.669 -4.523 173 2HG GLU 22 2HG GLU 22 12.478 7.251 -6.189 174 H ASN 23 H ASN 23 11.692 4.521 -6.477 175 HA ASN 23 HA ASN 23 11.435 5.250 -9.265 176 1HB ASN 23 1HB ASN 23 13.066 3.134 -7.845 177 2HB ASN 23 2HB ASN 23 13.088 3.377 -9.584 178 1HD2 ASN 23 1HD2 ASN 23 13.983 4.693 -6.494 179 2HD2 ASN 23 2HD2 ASN 23 15.067 5.904 -7.105 180 H TYR 24 H TYR 24 9.403 3.812 -7.381 181 HA TYR 24 HA TYR 24 7.574 2.532 -7.680 182 1HB TYR 24 1HB TYR 24 8.348 2.426 -10.602 183 2HB TYR 24 2HB TYR 24 6.745 2.169 -9.915 184 HD1 TYR 24 HD1 TYR 24 5.786 4.182 -8.521 185 HD2 TYR 24 HD2 TYR 24 8.902 4.527 -11.396 186 HE1 TYR 24 HE1 TYR 24 5.341 6.594 -8.710 187 HE2 TYR 24 HE2 TYR 24 8.466 6.935 -11.593 188 HH TYR 24 HH TYR 24 6.665 8.667 -9.401 189 H ASN 25 H ASN 25 10.199 1.388 -7.141 190 HA ASN 25 HA ASN 25 9.954 -1.310 -8.249 191 1HB ASN 25 1HB ASN 25 12.128 -0.089 -6.526 192 2HB ASN 25 2HB ASN 25 12.168 -1.698 -7.239 193 1HD2 ASN 25 1HD2 ASN 25 13.905 0.702 -7.562 194 2HD2 ASN 25 2HD2 ASN 25 13.961 0.990 -9.267 195 H LEU 26 H LEU 26 9.126 -2.942 -7.069 196 HA LEU 26 HA LEU 26 7.894 -2.510 -4.589 197 1HB LEU 26 1HB LEU 26 7.142 -4.244 -6.087 198 2HB LEU 26 2HB LEU 26 8.689 -5.064 -5.980 199 HG LEU 26 HG LEU 26 8.277 -5.636 -3.658 200 1HD1 LEU 26 1HD1 LEU 26 6.106 -5.126 -2.617 201 2HD1 LEU 26 2HD1 LEU 26 5.695 -4.125 -4.011 202 3HD1 LEU 26 3HD1 LEU 26 7.045 -3.675 -2.968 203 1HD2 LEU 26 1HD2 LEU 26 7.444 -7.155 -5.367 204 2HD2 LEU 26 2HD2 LEU 26 5.920 -6.269 -5.429 205 3HD2 LEU 26 3HD2 LEU 26 6.374 -7.143 -3.965 206 H LEU 27 H LEU 27 8.607 -2.556 -2.576 207 HA LEU 27 HA LEU 27 11.328 -3.559 -2.073 208 1HB LEU 27 1HB LEU 27 9.701 -1.621 -0.425 209 2HB LEU 27 2HB LEU 27 11.369 -2.077 -0.145 210 HG LEU 27 HG LEU 27 10.350 -0.529 -2.527 211 1HD1 LEU 27 1HD1 LEU 27 10.281 0.779 -0.489 212 2HD1 LEU 27 2HD1 LEU 27 11.588 1.337 -1.532 213 3HD1 LEU 27 3HD1 LEU 27 11.949 0.338 -0.124 214 1HD2 LEU 27 1HD2 LEU 27 13.160 -1.267 -1.721 215 2HD2 LEU 27 2HD2 LEU 27 12.710 -0.228 -3.073 216 3HD2 LEU 27 3HD2 LEU 27 12.265 -1.934 -3.086 217 H ASP 28 H ASP 28 8.128 -3.287 -0.528 218 HA ASP 28 HA ASP 28 8.658 -5.833 0.849 219 1HB ASP 28 1HB ASP 28 9.034 -4.155 2.526 220 2HB ASP 28 2HB ASP 28 7.564 -3.300 2.081 221 H THR 29 H THR 29 6.980 -7.209 1.006 222 HA THR 29 HA THR 29 4.349 -6.250 0.102 223 HB THR 29 HB THR 29 5.458 -9.022 -0.355 224 HG1 THR 29 HG1 THR 29 5.851 -6.687 -1.717 225 1HG2 THR 29 1HG2 THR 29 3.560 -9.196 -1.922 226 2HG2 THR 29 2HG2 THR 29 3.021 -7.592 -1.420 227 3HG2 THR 29 3HG2 THR 29 3.031 -8.923 -0.262 228 H SER 30 H SER 30 2.875 -6.392 1.677 229 HA SER 30 HA SER 30 3.138 -8.536 3.664 230 1HB SER 30 1HB SER 30 2.591 -5.618 4.270 231 2HB SER 30 2HB SER 30 2.541 -6.928 5.450 232 HG SER 30 HG SER 30 4.778 -5.891 4.040 233 H GLY 31 H GLY 31 1.220 -9.275 4.570 234 1HA GLY 31 1HA GLY 31 -1.052 -9.532 4.869 235 2HA GLY 31 2HA GLY 31 -1.295 -7.982 4.077 236 H VAL 32 H VAL 32 -3.057 -8.783 2.923 237 HA VAL 32 HA VAL 32 -3.018 -11.096 1.313 238 HB VAL 32 HB VAL 32 -4.688 -8.618 0.868 239 1HG1 VAL 32 1HG1 VAL 32 -4.737 -10.205 -0.987 240 2HG1 VAL 32 2HG1 VAL 32 -6.287 -10.159 -0.144 241 3HG1 VAL 32 3HG1 VAL 32 -5.174 -11.500 0.128 242 1HG2 VAL 32 1HG2 VAL 32 -5.205 -10.997 2.645 243 2HG2 VAL 32 2HG2 VAL 32 -6.375 -9.732 2.271 244 3HG2 VAL 32 3HG2 VAL 32 -4.907 -9.339 3.167 245 H ALA 33 H ALA 33 -1.528 -8.079 0.891 246 HA ALA 33 HA ALA 33 -1.584 -7.776 -1.897 247 1HB ALA 33 1HB ALA 33 0.317 -6.312 -1.610 248 2HB ALA 33 2HB ALA 33 0.595 -6.944 0.011 249 3HB ALA 33 3HB ALA 33 -0.867 -6.018 -0.340 250 H LYS 34 H LYS 34 -0.050 -10.125 0.022 251 HA LYS 34 HA LYS 34 2.193 -10.650 -1.652 252 1HB LYS 34 1HB LYS 34 0.810 -12.375 0.409 253 2HB LYS 34 2HB LYS 34 2.342 -12.762 -0.355 254 1HG LYS 34 1HG LYS 34 3.336 -10.743 0.607 255 2HG LYS 34 2HG LYS 34 1.797 -10.367 1.384 256 1HD LYS 34 1HD LYS 34 3.449 -12.846 1.876 257 2HD LYS 34 2HD LYS 34 3.380 -11.434 2.933 258 1HE LYS 34 1HE LYS 34 1.008 -11.803 3.306 259 2HE LYS 34 2HE LYS 34 1.027 -13.169 2.192 260 1HZ LYS 34 1HZ LYS 34 1.118 -13.923 4.471 261 2HZ LYS 34 2HZ LYS 34 2.509 -12.998 4.763 262 3HZ LYS 34 3HZ LYS 34 2.571 -14.300 3.681 263 H VAL 35 H VAL 35 -1.134 -11.790 -1.543 264 HA VAL 35 HA VAL 35 -0.569 -13.774 -3.615 265 HB VAL 35 HB VAL 35 -2.854 -14.566 -3.299 266 1HG1 VAL 35 1HG1 VAL 35 -1.373 -14.176 -0.701 267 2HG1 VAL 35 2HG1 VAL 35 -1.119 -15.475 -1.867 268 3HG1 VAL 35 3HG1 VAL 35 -2.643 -15.366 -0.987 269 1HG2 VAL 35 1HG2 VAL 35 -3.106 -12.354 -1.262 270 2HG2 VAL 35 2HG2 VAL 35 -4.282 -13.642 -1.534 271 3HG2 VAL 35 3HG2 VAL 35 -3.961 -12.459 -2.804 272 H ILE 36 H ILE 36 -1.809 -10.613 -3.253 273 HA ILE 36 HA ILE 36 -3.209 -10.513 -5.766 274 HB ILE 36 HB ILE 36 -2.244 -8.339 -3.895 275 1HG1 ILE 36 1HG1 ILE 36 -5.056 -9.311 -4.440 276 2HG1 ILE 36 2HG1 ILE 36 -4.068 -9.897 -3.108 277 1HG2 ILE 36 1HG2 ILE 36 -2.374 -7.466 -6.164 278 2HG2 ILE 36 2HG2 ILE 36 -3.660 -6.801 -5.159 279 3HG2 ILE 36 3HG2 ILE 36 -4.020 -8.081 -6.318 280 1HD1 ILE 36 1HD1 ILE 36 -3.965 -7.637 -2.198 281 2HD1 ILE 36 2HD1 ILE 36 -5.629 -8.198 -2.370 282 3HD1 ILE 36 3HD1 ILE 36 -4.957 -7.055 -3.534 283 H GLU 37 H GLU 37 -2.450 -9.521 -7.695 284 HA GLU 37 HA GLU 37 0.392 -9.853 -8.084 285 1HB GLU 37 1HB GLU 37 -0.093 -9.486 -10.460 286 2HB GLU 37 2HB GLU 37 -1.124 -10.728 -9.763 287 1HG GLU 37 1HG GLU 37 -2.955 -9.129 -9.602 288 2HG GLU 37 2HG GLU 37 -1.920 -7.875 -10.285 289 H LYS 38 H LYS 38 1.664 -8.256 -9.305 290 HA LYS 38 HA LYS 38 1.173 -5.583 -8.148 291 1HB LYS 38 1HB LYS 38 3.712 -7.119 -8.694 292 2HB LYS 38 2HB LYS 38 3.726 -5.384 -8.443 293 1HG LYS 38 1HG LYS 38 4.321 -6.713 -6.436 294 2HG LYS 38 2HG LYS 38 2.954 -5.627 -6.198 295 1HD LYS 38 1HD LYS 38 1.427 -7.361 -6.101 296 2HD LYS 38 2HD LYS 38 2.475 -8.469 -6.983 297 1HE LYS 38 1HE LYS 38 3.345 -7.473 -4.312 298 2HE LYS 38 2HE LYS 38 2.103 -8.723 -4.396 299 1HZ LYS 38 1HZ LYS 38 4.288 -9.706 -4.205 300 2HZ LYS 38 2HZ LYS 38 4.825 -8.887 -5.590 301 3HZ LYS 38 3HZ LYS 38 3.621 -10.072 -5.717 302 H SER 39 H SER 39 0.828 -7.087 -10.956 303 HA SER 39 HA SER 39 2.579 -6.163 -12.819 304 1HB SER 39 1HB SER 39 -0.323 -6.458 -13.519 305 2HB SER 39 2HB SER 39 1.101 -6.949 -14.438 306 HG SER 39 HG SER 39 -0.340 -8.436 -12.826 307 HA PRO 40 HA PRO 40 0.257 -2.346 -14.131 308 1HB PRO 40 1HB PRO 40 -2.316 -1.902 -13.622 309 2HB PRO 40 2HB PRO 40 -1.818 -3.194 -14.721 310 1HG PRO 40 1HG PRO 40 -2.837 -3.366 -11.936 311 2HG PRO 40 2HG PRO 40 -3.012 -4.514 -13.273 312 1HD PRO 40 1HD PRO 40 -1.124 -4.611 -11.144 313 2HD PRO 40 2HD PRO 40 -1.210 -5.679 -12.558 314 H ILE 41 H ILE 41 0.553 -2.869 -10.907 315 HA ILE 41 HA ILE 41 -0.841 -0.632 -9.830 316 HB ILE 41 HB ILE 41 1.296 -2.344 -8.560 317 1HG1 ILE 41 1HG1 ILE 41 -1.727 -2.461 -8.482 318 2HG1 ILE 41 2HG1 ILE 41 -0.655 -3.633 -9.238 319 1HG2 ILE 41 1HG2 ILE 41 1.049 -0.166 -7.447 320 2HG2 ILE 41 2HG2 ILE 41 0.479 -1.490 -6.432 321 3HG2 ILE 41 3HG2 ILE 41 -0.680 -0.459 -7.272 322 1HD1 ILE 41 1HD1 ILE 41 -1.514 -4.444 -7.123 323 2HD1 ILE 41 2HD1 ILE 41 -0.830 -3.044 -6.296 324 3HD1 ILE 41 3HD1 ILE 41 0.237 -4.229 -7.052 325 H ALA 42 H ALA 42 2.526 -1.183 -10.769 326 HA ALA 42 HA ALA 42 3.645 1.064 -9.513 327 1HB ALA 42 1HB ALA 42 5.535 0.770 -10.993 328 2HB ALA 42 2HB ALA 42 4.572 -0.243 -12.069 329 3HB ALA 42 3HB ALA 42 4.961 -0.805 -10.442 330 H GLU 43 H GLU 43 2.267 0.654 -12.740 331 HA GLU 43 HA GLU 43 2.796 3.234 -13.720 332 1HB GLU 43 1HB GLU 43 2.129 1.310 -15.114 333 2HB GLU 43 2HB GLU 43 0.525 1.361 -14.404 334 1HG GLU 43 1HG GLU 43 0.473 2.377 -16.571 335 2HG GLU 43 2HG GLU 43 0.205 3.611 -15.342 336 H ILE 44 H ILE 44 0.113 1.935 -11.820 337 HA ILE 44 HA ILE 44 -1.393 4.368 -12.037 338 HB ILE 44 HB ILE 44 -1.854 2.197 -9.990 339 1HG1 ILE 44 1HG1 ILE 44 -1.774 1.187 -12.234 340 2HG1 ILE 44 2HG1 ILE 44 -3.414 1.187 -11.595 341 1HG2 ILE 44 1HG2 ILE 44 -4.160 3.005 -10.068 342 2HG2 ILE 44 2HG2 ILE 44 -3.705 4.208 -11.275 343 3HG2 ILE 44 3HG2 ILE 44 -3.051 4.308 -9.639 344 1HD1 ILE 44 1HD1 ILE 44 -3.395 1.764 -13.946 345 2HD1 ILE 44 2HD1 ILE 44 -2.306 3.113 -13.625 346 3HD1 ILE 44 3HD1 ILE 44 -3.947 3.131 -12.978 347 H ILE 45 H ILE 45 1.023 3.093 -9.863 348 HA ILE 45 HA ILE 45 0.544 4.769 -7.653 349 HB ILE 45 HB ILE 45 3.108 3.502 -8.619 350 1HG1 ILE 45 1HG1 ILE 45 1.181 2.856 -6.378 351 2HG1 ILE 45 2HG1 ILE 45 1.456 1.912 -7.838 352 1HG2 ILE 45 1HG2 ILE 45 2.630 4.991 -6.040 353 2HG2 ILE 45 2HG2 ILE 45 3.668 5.515 -7.366 354 3HG2 ILE 45 3HG2 ILE 45 4.078 4.069 -6.444 355 1HD1 ILE 45 1HD1 ILE 45 3.439 2.380 -5.622 356 2HD1 ILE 45 2HD1 ILE 45 3.745 1.454 -7.094 357 3HD1 ILE 45 3HD1 ILE 45 2.543 0.892 -5.931 358 H ARG 46 H ARG 46 2.628 5.226 -10.507 359 HA ARG 46 HA ARG 46 3.548 7.786 -9.737 360 1HB ARG 46 1HB ARG 46 4.137 8.037 -12.155 361 2HB ARG 46 2HB ARG 46 4.798 6.608 -11.383 362 1HG ARG 46 1HG ARG 46 3.114 5.234 -12.430 363 2HG ARG 46 2HG ARG 46 2.353 6.661 -13.134 364 1HD ARG 46 1HD ARG 46 5.111 5.600 -13.729 365 2HD ARG 46 2HD ARG 46 3.709 5.556 -14.799 366 HE ARG 46 HE ARG 46 5.253 7.947 -14.048 367 1HH1 ARG 46 1HH1 ARG 46 2.828 6.396 -16.076 368 2HH1 ARG 46 2HH1 ARG 46 2.731 7.749 -17.177 369 1HH2 ARG 46 1HH2 ARG 46 5.076 9.717 -15.479 370 2HH2 ARG 46 2HH2 ARG 46 4.000 9.613 -16.843 371 H LYS 47 H LYS 47 0.853 6.733 -11.779 372 HA LYS 47 HA LYS 47 -0.077 9.266 -12.534 373 1HB LYS 47 1HB LYS 47 -1.598 6.698 -12.043 374 2HB LYS 47 2HB LYS 47 -2.300 8.129 -12.786 375 1HG LYS 47 1HG LYS 47 -0.756 7.972 -14.635 376 2HG LYS 47 2HG LYS 47 0.054 6.602 -13.873 377 1HD LYS 47 1HD LYS 47 -1.961 5.270 -14.057 378 2HD LYS 47 2HD LYS 47 -2.839 6.648 -14.725 379 1HE LYS 47 1HE LYS 47 -1.318 6.669 -16.648 380 2HE LYS 47 2HE LYS 47 -0.464 5.279 -15.980 381 1HZ LYS 47 1HZ LYS 47 -2.173 4.802 -17.745 382 2HZ LYS 47 2HZ LYS 47 -3.360 5.212 -16.603 383 3HZ LYS 47 3HZ LYS 47 -2.323 3.904 -16.317 384 H SER 48 H SER 48 -0.860 7.266 -9.723 385 HA SER 48 HA SER 48 -2.673 9.113 -8.574 386 1HB SER 48 1HB SER 48 -1.117 6.867 -7.275 387 2HB SER 48 2HB SER 48 -2.514 7.690 -6.585 388 HG SER 48 HG SER 48 -2.405 6.016 -8.863 389 H ASN 49 H ASN 49 0.793 8.783 -8.511 390 HA ASN 49 HA ASN 49 1.368 10.271 -6.202 391 1HB ASN 49 1HB ASN 49 3.119 9.048 -7.348 392 2HB ASN 49 2HB ASN 49 2.908 10.026 -8.796 393 1HD2 ASN 49 1HD2 ASN 49 3.854 12.011 -8.919 394 2HD2 ASN 49 2HD2 ASN 49 4.939 12.633 -7.721 395 H ALA 50 H ALA 50 0.635 11.244 -9.496 396 HA ALA 50 HA ALA 50 0.957 14.054 -8.947 397 1HB ALA 50 1HB ALA 50 1.326 13.137 -11.187 398 2HB ALA 50 2HB ALA 50 0.079 14.384 -11.194 399 3HB ALA 50 3HB ALA 50 -0.375 12.682 -11.280 400 H GLU 51 H GLU 51 -1.645 11.740 -8.851 401 HA GLU 51 HA GLU 51 -3.770 13.651 -8.915 402 1HB GLU 51 1HB GLU 51 -3.706 10.728 -8.179 403 2HB GLU 51 2HB GLU 51 -5.178 11.684 -8.247 404 1HG GLU 51 1HG GLU 51 -3.310 11.143 -10.543 405 2HG GLU 51 2HG GLU 51 -4.877 10.380 -10.267 406 H LEU 52 H LEU 52 -2.253 11.750 -6.322 407 HA LEU 52 HA LEU 52 -4.038 13.079 -4.407 408 1HB LEU 52 1HB LEU 52 -3.611 11.161 -2.931 409 2HB LEU 52 2HB LEU 52 -4.339 10.691 -4.453 410 HG LEU 52 HG LEU 52 -1.918 10.166 -5.200 411 1HD1 LEU 52 1HD1 LEU 52 -0.402 9.517 -3.441 412 2HD1 LEU 52 2HD1 LEU 52 -1.551 10.066 -2.218 413 3HD1 LEU 52 3HD1 LEU 52 -0.803 11.230 -3.313 414 1HD2 LEU 52 1HD2 LEU 52 -2.044 7.925 -4.197 415 2HD2 LEU 52 2HD2 LEU 52 -3.558 8.460 -4.918 416 3HD2 LEU 52 3HD2 LEU 52 -3.358 8.493 -3.167 417 H GLY 53 H GLY 53 -3.152 13.323 -2.200 418 1HA GLY 53 1HA GLY 53 -0.238 13.783 -2.176 419 2HA GLY 53 2HA GLY 53 -1.370 14.837 -1.334 420 H ARG 54 H ARG 54 -2.590 13.961 0.437 421 HA ARG 54 HA ARG 54 -1.135 11.789 1.798 422 1HB ARG 54 1HB ARG 54 -1.215 14.086 2.835 423 2HB ARG 54 2HB ARG 54 -2.948 13.878 3.023 424 1HG ARG 54 1HG ARG 54 -1.426 11.672 4.151 425 2HG ARG 54 2HG ARG 54 -1.020 13.232 4.871 426 1HD ARG 54 1HD ARG 54 -3.799 12.085 4.597 427 2HD ARG 54 2HD ARG 54 -2.842 12.116 6.078 428 HE ARG 54 HE ARG 54 -2.887 14.665 5.668 429 1HH1 ARG 54 1HH1 ARG 54 -5.497 12.437 4.995 430 2HH1 ARG 54 2HH1 ARG 54 -6.749 13.630 5.185 431 1HH2 ARG 54 1HH2 ARG 54 -4.511 16.248 5.901 432 2HH2 ARG 54 2HH2 ARG 54 -6.178 15.805 5.682 433 H LEU 55 H LEU 55 -3.688 12.016 -0.095 434 HA LEU 55 HA LEU 55 -5.462 10.343 1.538 435 1HB LEU 55 1HB LEU 55 -5.994 11.678 -1.119 436 2HB LEU 55 2HB LEU 55 -7.139 10.666 -0.256 437 HG LEU 55 HG LEU 55 -7.827 12.865 0.156 438 1HD1 LEU 55 1HD1 LEU 55 -7.477 13.213 2.546 439 2HD1 LEU 55 2HD1 LEU 55 -6.157 12.045 2.520 440 3HD1 LEU 55 3HD1 LEU 55 -7.805 11.522 2.170 441 1HD2 LEU 55 1HD2 LEU 55 -4.971 13.578 0.795 442 2HD2 LEU 55 2HD2 LEU 55 -6.356 14.663 0.909 443 3HD2 LEU 55 3HD2 LEU 55 -5.861 14.028 -0.661 444 H GLY 56 H GLY 56 -6.455 8.464 0.476 445 1HA GLY 56 1HA GLY 56 -4.434 7.060 -1.121 446 2HA GLY 56 2HA GLY 56 -5.675 6.302 -0.136 447 H TYR 57 H TYR 57 -4.768 7.294 -3.195 448 HA TYR 57 HA TYR 57 -7.424 7.278 -4.360 449 1HB TYR 57 1HB TYR 57 -5.487 8.715 -5.159 450 2HB TYR 57 2HB TYR 57 -4.736 7.241 -5.750 451 HD1 TYR 57 HD1 TYR 57 -7.562 9.560 -6.205 452 HD2 TYR 57 HD2 TYR 57 -5.414 6.257 -7.804 453 HE1 TYR 57 HE1 TYR 57 -8.690 9.879 -8.364 454 HE2 TYR 57 HE2 TYR 57 -6.540 6.561 -9.964 455 HH TYR 57 HH TYR 57 -8.277 9.362 -10.749 456 H SER 58 H SER 58 -8.397 5.490 -5.147 457 HA SER 58 HA SER 58 -7.293 2.933 -4.682 458 1HB SER 58 1HB SER 58 -9.653 3.676 -6.427 459 2HB SER 58 2HB SER 58 -9.314 2.083 -5.745 460 HG SER 58 HG SER 58 -10.168 4.442 -4.464 461 H VAL 59 H VAL 59 -5.742 2.001 -5.778 462 HA VAL 59 HA VAL 59 -5.272 2.799 -8.561 463 HB VAL 59 HB VAL 59 -3.005 1.938 -8.290 464 1HG1 VAL 59 1HG1 VAL 59 -3.491 4.256 -7.674 465 2HG1 VAL 59 2HG1 VAL 59 -2.180 3.580 -6.707 466 3HG1 VAL 59 3HG1 VAL 59 -3.793 3.745 -6.012 467 1HG2 VAL 59 1HG2 VAL 59 -2.180 1.163 -6.126 468 2HG2 VAL 59 2HG2 VAL 59 -3.466 0.116 -6.726 469 3HG2 VAL 59 3HG2 VAL 59 -3.806 1.289 -5.454 470 H TYR 60 H TYR 60 -5.962 0.042 -6.540 471 HA TYR 60 HA TYR 60 -6.090 -1.627 -8.949 472 1HB TYR 60 1HB TYR 60 -3.986 -2.083 -7.711 473 2HB TYR 60 2HB TYR 60 -4.941 -2.494 -6.292 474 HD1 TYR 60 HD1 TYR 60 -5.990 -4.628 -6.091 475 HD2 TYR 60 HD2 TYR 60 -4.078 -3.521 -9.724 476 HE1 TYR 60 HE1 TYR 60 -6.137 -6.959 -6.875 477 HE2 TYR 60 HE2 TYR 60 -4.218 -5.842 -10.517 478 HH TYR 60 HH TYR 60 -4.470 -8.052 -9.695 479 H GLU 61 H GLU 61 -8.301 -1.746 -9.067 480 HA GLU 61 HA GLU 61 -9.711 -2.603 -6.644 481 1HB GLU 61 1HB GLU 61 -10.630 -0.596 -7.641 482 2HB GLU 61 2HB GLU 61 -10.779 -1.398 -9.198 483 1HG GLU 61 1HG GLU 61 -12.512 -2.804 -8.403 484 2HG GLU 61 2HG GLU 61 -12.221 -2.327 -6.731 485 H ASP 62 H ASP 62 -9.920 -4.677 -6.456 486 HA ASP 62 HA ASP 62 -10.503 -6.299 -8.844 487 1HB ASP 62 1HB ASP 62 -8.292 -6.802 -7.804 488 2HB ASP 62 2HB ASP 62 -9.105 -7.145 -6.283 489 H ALA 63 H ALA 63 -11.822 -8.314 -8.188 490 HA ALA 63 HA ALA 63 -14.175 -7.400 -6.889 491 1HB ALA 63 1HB ALA 63 -14.183 -9.043 -8.739 492 2HB ALA 63 2HB ALA 63 -15.069 -9.602 -7.321 493 3HB ALA 63 3HB ALA 63 -13.456 -10.228 -7.654 494 H GLN 64 H GLN 64 -11.319 -8.971 -5.833 495 HA GLN 64 HA GLN 64 -12.482 -9.978 -3.375 496 1HB GLN 64 1HB GLN 64 -9.573 -9.792 -4.167 497 2HB GLN 64 2HB GLN 64 -10.255 -10.771 -2.877 498 1HG GLN 64 1HG GLN 64 -11.278 -12.248 -4.395 499 2HG GLN 64 2HG GLN 64 -11.015 -11.154 -5.753 500 1HE2 GLN 64 1HE2 GLN 64 -8.923 -10.894 -6.564 501 2HE2 GLN 64 2HE2 GLN 64 -7.715 -12.118 -6.336 502 H TYR 65 H TYR 65 -9.948 -7.607 -4.220 503 HA TYR 65 HA TYR 65 -10.574 -6.116 -1.775 504 1HB TYR 65 1HB TYR 65 -7.759 -6.887 -2.565 505 2HB TYR 65 2HB TYR 65 -8.224 -5.958 -1.154 506 HD1 TYR 65 HD1 TYR 65 -8.118 -9.315 -2.639 507 HD2 TYR 65 HD2 TYR 65 -9.119 -7.037 0.808 508 HE1 TYR 65 HE1 TYR 65 -8.304 -11.388 -1.325 509 HE2 TYR 65 HE2 TYR 65 -9.313 -9.100 2.125 510 HH TYR 65 HH TYR 65 -9.757 -11.504 1.718 511 H ILE 66 H ILE 66 -9.450 -3.966 -1.756 512 HA ILE 66 HA ILE 66 -8.930 -2.949 -4.468 513 HB ILE 66 HB ILE 66 -10.517 -1.520 -2.327 514 1HG1 ILE 66 1HG1 ILE 66 -11.410 -2.540 -5.032 515 2HG1 ILE 66 2HG1 ILE 66 -11.753 -3.337 -3.501 516 1HG2 ILE 66 1HG2 ILE 66 -10.846 0.215 -4.055 517 2HG2 ILE 66 2HG2 ILE 66 -9.728 -0.655 -5.108 518 3HG2 ILE 66 3HG2 ILE 66 -9.154 0.032 -3.589 519 1HD1 ILE 66 1HD1 ILE 66 -13.028 -1.386 -2.773 520 2HD1 ILE 66 2HD1 ILE 66 -13.661 -2.052 -4.278 521 3HD1 ILE 66 3HD1 ILE 66 -12.679 -0.587 -4.306 522 H GLY 67 H GLY 67 -7.020 -2.016 -4.612 523 1HA GLY 67 1HA GLY 67 -5.552 -1.381 -2.161 524 2HA GLY 67 2HA GLY 67 -4.861 -1.574 -3.764 525 H HIS 68 H HIS 68 -4.746 0.602 -1.668 526 HA HIS 68 HA HIS 68 -5.454 2.841 -3.453 527 1HB HIS 68 1HB HIS 68 -5.453 3.055 -0.438 528 2HB HIS 68 2HB HIS 68 -6.110 4.194 -1.605 529 HD1 HIS 68 HD1 HIS 68 -8.471 3.651 -2.594 530 HD2 HIS 68 HD2 HIS 68 -7.125 0.950 0.270 531 HE1 HIS 68 HE1 HIS 68 -10.489 2.308 -1.924 532 HE2 HIS 68 HE2 HIS 68 -9.660 0.704 -0.161 533 H ALA 69 H ALA 69 -3.789 4.220 -3.868 534 HA ALA 69 HA ALA 69 -1.200 3.577 -2.714 535 1HB ALA 69 1HB ALA 69 -1.986 5.555 -4.846 536 2HB ALA 69 2HB ALA 69 -1.260 3.964 -5.085 537 3HB ALA 69 3HB ALA 69 -0.331 5.253 -4.316 538 H PHE 70 H PHE 70 -0.013 4.833 -1.384 539 HA PHE 70 HA PHE 70 -1.070 7.477 -0.652 540 1HB PHE 70 1HB PHE 70 -0.111 5.289 1.186 541 2HB PHE 70 2HB PHE 70 -0.185 6.974 1.689 542 HD1 PHE 70 HD1 PHE 70 -2.260 8.045 2.138 543 HD2 PHE 70 HD2 PHE 70 -2.155 4.041 0.710 544 HE1 PHE 70 HE1 PHE 70 -4.626 7.772 2.739 545 HE2 PHE 70 HE2 PHE 70 -4.522 3.759 1.310 546 HZ PHE 70 HZ PHE 70 -5.759 5.628 2.326 547 H LYS 71 H LYS 71 0.437 9.059 -0.323 548 HA LYS 71 HA LYS 71 3.185 8.470 -1.041 549 1HB LYS 71 1HB LYS 71 1.511 10.833 -0.979 550 2HB LYS 71 2HB LYS 71 3.039 11.130 -0.165 551 1HG LYS 71 1HG LYS 71 3.478 11.763 -2.339 552 2HG LYS 71 2HG LYS 71 4.108 10.120 -2.283 553 1HD LYS 71 1HD LYS 71 1.351 10.806 -3.287 554 2HD LYS 71 2HD LYS 71 2.767 10.708 -4.333 555 1HE LYS 71 1HE LYS 71 3.087 8.372 -3.663 556 2HE LYS 71 2HE LYS 71 1.662 8.476 -2.631 557 1HZ LYS 71 1HZ LYS 71 1.722 8.752 -5.585 558 2HZ LYS 71 2HZ LYS 71 0.345 8.967 -4.628 559 3HZ LYS 71 3HZ LYS 71 1.092 7.449 -4.708 560 H LYS 72 H LYS 72 4.506 7.712 0.436 561 HA LYS 72 HA LYS 72 4.024 8.375 3.261 562 1HB LYS 72 1HB LYS 72 5.619 6.091 2.077 563 2HB LYS 72 2HB LYS 72 5.264 6.337 3.782 564 1HG LYS 72 1HG LYS 72 3.082 6.002 1.755 565 2HG LYS 72 2HG LYS 72 3.880 4.619 2.500 566 1HD LYS 72 1HD LYS 72 2.474 6.826 4.006 567 2HD LYS 72 2HD LYS 72 1.778 5.246 3.640 568 1HE LYS 72 1HE LYS 72 3.833 4.283 4.829 569 2HE LYS 72 2HE LYS 72 4.078 5.913 5.448 570 1HZ LYS 72 1HZ LYS 72 2.847 4.560 7.006 571 2HZ LYS 72 2HZ LYS 72 1.654 4.246 5.848 572 3HZ LYS 72 3HZ LYS 72 1.868 5.825 6.441 573 H ALA 73 H ALA 73 6.392 7.910 4.412 574 HA ALA 73 HA ALA 73 7.828 10.267 3.848 575 1HB ALA 73 1HB ALA 73 7.737 9.294 6.075 576 2HB ALA 73 2HB ALA 73 9.406 9.497 5.537 577 3HB ALA 73 3HB ALA 73 8.659 7.899 5.510 578 H GLY 74 H GLY 74 8.472 10.212 1.706 579 1HA GLY 74 1HA GLY 74 10.173 10.069 0.158 580 2HA GLY 74 2HA GLY 74 11.081 9.099 1.305 581 H HIS 75 H HIS 75 7.978 7.832 0.792 582 HA HIS 75 HA HIS 75 8.823 6.138 -1.418 583 1HB HIS 75 1HB HIS 75 8.580 5.208 1.402 584 2HB HIS 75 2HB HIS 75 8.056 4.119 0.121 585 HD1 HIS 75 HD1 HIS 75 10.694 3.966 2.088 586 HD2 HIS 75 HD2 HIS 75 10.524 4.806 -1.984 587 HE1 HIS 75 HE1 HIS 75 12.975 3.405 1.178 588 HE2 HIS 75 HE2 HIS 75 12.821 3.841 -1.308 589 H PHE 76 H PHE 76 7.080 4.475 -1.921 590 HA PHE 76 HA PHE 76 4.438 5.743 -1.591 591 1HB PHE 76 1HB PHE 76 5.442 4.094 -3.925 592 2HB PHE 76 2HB PHE 76 3.867 4.872 -3.804 593 HD1 PHE 76 HD1 PHE 76 4.475 7.533 -2.871 594 HD2 PHE 76 HD2 PHE 76 6.591 5.093 -5.637 595 HE1 PHE 76 HE1 PHE 76 5.379 9.547 -3.950 596 HE2 PHE 76 HE2 PHE 76 7.503 7.104 -6.719 597 HZ PHE 76 HZ PHE 76 6.899 9.336 -5.875 598 H ILE 77 H ILE 77 2.898 4.474 -0.653 599 HA ILE 77 HA ILE 77 3.373 1.571 -0.703 600 HB ILE 77 HB ILE 77 2.442 3.160 1.694 601 1HG1 ILE 77 1HG1 ILE 77 4.954 1.565 1.147 602 2HG1 ILE 77 2HG1 ILE 77 4.841 3.306 1.367 603 1HG2 ILE 77 1HG2 ILE 77 1.246 1.040 1.535 604 2HG2 ILE 77 2HG2 ILE 77 2.392 1.013 2.876 605 3HG2 ILE 77 3HG2 ILE 77 2.776 0.176 1.370 606 1HD1 ILE 77 1HD1 ILE 77 4.319 1.208 3.457 607 2HD1 ILE 77 2HD1 ILE 77 4.127 2.944 3.686 608 3HD1 ILE 77 3HD1 ILE 77 5.722 2.268 3.355 609 H VAL 78 H VAL 78 1.676 0.338 -1.154 610 HA VAL 78 HA VAL 78 -0.905 1.681 -1.609 611 HB VAL 78 HB VAL 78 0.114 -0.914 -2.791 612 1HG1 VAL 78 1HG1 VAL 78 -2.309 -0.897 -2.578 613 2HG1 VAL 78 2HG1 VAL 78 -1.839 -0.751 -4.272 614 3HG1 VAL 78 3HG1 VAL 78 -2.385 0.671 -3.383 615 1HG2 VAL 78 1HG2 VAL 78 1.336 1.007 -3.657 616 2HG2 VAL 78 2HG2 VAL 78 -0.184 1.813 -4.048 617 3HG2 VAL 78 3HG2 VAL 78 0.274 0.334 -4.893 618 H TYR 79 H TYR 79 -2.349 1.337 -0.076 619 HA TYR 79 HA TYR 79 -2.176 -1.068 1.566 620 1HB TYR 79 1HB TYR 79 -3.709 1.513 1.879 621 2HB TYR 79 2HB TYR 79 -3.883 0.148 2.967 622 HD1 TYR 79 HD1 TYR 79 -2.247 -0.292 4.663 623 HD2 TYR 79 HD2 TYR 79 -1.539 2.737 1.765 624 HE1 TYR 79 HE1 TYR 79 -0.354 0.535 5.995 625 HE2 TYR 79 HE2 TYR 79 0.362 3.563 3.081 626 HH TYR 79 HH TYR 79 1.685 1.816 5.714 627 H PHE 80 H PHE 80 -3.417 -2.746 1.145 628 HA PHE 80 HA PHE 80 -5.649 -2.467 -0.706 629 1HB PHE 80 1HB PHE 80 -4.130 -4.859 0.330 630 2HB PHE 80 2HB PHE 80 -5.551 -4.987 -0.694 631 HD1 PHE 80 HD1 PHE 80 -5.447 -4.508 -3.030 632 HD2 PHE 80 HD2 PHE 80 -2.045 -3.928 -0.543 633 HE1 PHE 80 HE1 PHE 80 -4.032 -4.284 -5.027 634 HE2 PHE 80 HE2 PHE 80 -0.624 -3.701 -2.538 635 HZ PHE 80 HZ PHE 80 -1.616 -3.880 -4.783 636 H THR 81 H THR 81 -7.612 -2.261 0.062 637 HA THR 81 HA THR 81 -8.244 -3.346 2.724 638 HB THR 81 HB THR 81 -10.197 -1.825 2.666 639 HG1 THR 81 HG1 THR 81 -9.667 -1.727 0.083 640 1HG2 THR 81 1HG2 THR 81 -8.140 -1.038 3.697 641 2HG2 THR 81 2HG2 THR 81 -8.944 0.293 2.866 642 3HG2 THR 81 3HG2 THR 81 -7.541 -0.486 2.133 643 HA PRO 82 HA PRO 82 -10.737 -6.452 0.774 644 1HB PRO 82 1HB PRO 82 -12.348 -7.140 2.820 645 2HB PRO 82 2HB PRO 82 -10.618 -7.509 2.824 646 1HG PRO 82 1HG PRO 82 -12.080 -5.272 4.176 647 2HG PRO 82 2HG PRO 82 -10.798 -6.316 4.815 648 1HD PRO 82 1HD PRO 82 -10.339 -3.805 3.883 649 2HD PRO 82 2HD PRO 82 -9.133 -5.103 3.804 650 H LYS 83 H LYS 83 -11.588 -4.283 -0.370 651 HA LYS 83 HA LYS 83 -13.280 -2.872 -0.989 652 1HB LYS 83 1HB LYS 83 -14.558 -5.571 -0.787 653 2HB LYS 83 2HB LYS 83 -15.545 -4.176 -1.193 654 1HG LYS 83 1HG LYS 83 -14.035 -3.706 -3.091 655 2HG LYS 83 2HG LYS 83 -13.143 -5.178 -2.705 656 1HD LYS 83 1HD LYS 83 -14.945 -6.556 -3.279 657 2HD LYS 83 2HD LYS 83 -16.100 -5.223 -3.209 658 1HE LYS 83 1HE LYS 83 -13.888 -5.503 -5.241 659 2HE LYS 83 2HE LYS 83 -15.578 -5.926 -5.521 660 1HZ LYS 83 1HZ LYS 83 -14.397 -3.251 -5.105 661 2HZ LYS 83 2HZ LYS 83 -16.050 -3.521 -4.873 662 3HZ LYS 83 3HZ LYS 83 -15.354 -3.794 -6.393 663 H ASN 84 H ASN 84 -12.714 -2.212 1.425 664 HA ASN 84 HA ASN 84 -14.642 -2.591 3.442 665 1HB ASN 84 1HB ASN 84 -12.319 -1.899 3.889 666 2HB ASN 84 2HB ASN 84 -12.629 -0.354 3.105 667 1HD2 ASN 84 1HD2 ASN 84 -13.134 -2.288 5.932 668 2HD2 ASN 84 2HD2 ASN 84 -13.783 -1.027 6.924 669 H LYS 85 H LYS 85 -16.686 -2.012 3.183 670 HA LYS 85 HA LYS 85 -17.277 0.653 2.079 671 1HB LYS 85 1HB LYS 85 -19.381 -0.321 1.200 672 2HB LYS 85 2HB LYS 85 -17.947 -1.060 0.499 673 1HG LYS 85 1HG LYS 85 -18.186 -2.977 1.969 674 2HG LYS 85 2HG LYS 85 -19.586 -2.230 2.737 675 1HD LYS 85 1HD LYS 85 -20.791 -2.293 0.616 676 2HD LYS 85 2HD LYS 85 -19.384 -3.016 -0.167 677 1HE LYS 85 1HE LYS 85 -19.558 -4.966 1.263 678 2HE LYS 85 2HE LYS 85 -20.906 -4.236 2.133 679 1HZ LYS 85 1HZ LYS 85 -22.217 -4.299 0.122 680 2HZ LYS 85 2HZ LYS 85 -21.642 -5.853 0.483 681 3HZ LYS 85 3HZ LYS 85 -20.917 -4.949 -0.753 682 H ASN 86 H ASN 86 -17.121 -0.841 4.889 683 HA ASN 86 HA ASN 86 -19.768 -0.026 5.851 684 1HB ASN 86 1HB ASN 86 -19.293 -1.354 7.860 685 2HB ASN 86 2HB ASN 86 -19.141 -2.329 6.405 686 1HD2 ASN 86 1HD2 ASN 86 -18.019 -2.681 9.091 687 2HD2 ASN 86 2HD2 ASN 86 -16.302 -2.798 8.870 688 H ARG 87 H ARG 87 -20.039 1.436 7.453 689 HA ARG 87 HA ARG 87 -19.657 3.366 8.579 690 1HB ARG 87 1HB ARG 87 -17.090 1.935 9.263 691 2HB ARG 87 2HB ARG 87 -17.607 3.435 10.018 692 1HG ARG 87 1HG ARG 87 -19.216 0.893 10.075 693 2HG ARG 87 2HG ARG 87 -18.077 1.368 11.333 694 1HD ARG 87 1HD ARG 87 -20.250 2.011 12.062 695 2HD ARG 87 2HD ARG 87 -19.390 3.480 11.612 696 HE ARG 87 HE ARG 87 -20.729 2.920 9.362 697 1HH1 ARG 87 1HH1 ARG 87 -21.764 3.051 12.694 698 2HH1 ARG 87 2HH1 ARG 87 -23.399 3.495 12.312 699 1HH2 ARG 87 1HH2 ARG 87 -22.859 3.544 8.833 700 2HH2 ARG 87 2HH2 ARG 87 -24.018 3.808 10.105 701 H GLU 88 H GLU 88 -19.627 4.369 6.476 702 HA GLU 88 HA GLU 88 -16.992 5.449 5.754 703 1HB GLU 88 1HB GLU 88 -18.452 5.994 3.570 704 2HB GLU 88 2HB GLU 88 -17.566 4.492 3.777 705 1HG GLU 88 1HG GLU 88 -19.816 4.107 2.932 706 2HG GLU 88 2HG GLU 88 -19.585 3.369 4.514 707 H GLY 89 H GLY 89 -18.844 6.409 7.832 708 1HA GLY 89 1HA GLY 89 -20.043 8.826 6.799 709 2HA GLY 89 2HA GLY 89 -19.973 8.328 8.482 710 H VAL 90 H VAL 90 -17.379 8.843 6.135 711 HA VAL 90 HA VAL 90 -16.490 11.212 7.581 712 HB VAL 90 HB VAL 90 -15.249 9.446 8.688 713 1HG1 VAL 90 1HG1 VAL 90 -15.380 7.696 7.028 714 2HG1 VAL 90 2HG1 VAL 90 -13.693 7.986 7.455 715 3HG1 VAL 90 3HG1 VAL 90 -14.338 8.611 5.937 716 1HG2 VAL 90 1HG2 VAL 90 -13.471 10.912 6.739 717 2HG2 VAL 90 2HG2 VAL 90 -12.968 10.193 8.269 718 3HG2 VAL 90 3HG2 VAL 90 -14.086 11.558 8.262 719 H VAL 91 H VAL 91 -15.954 12.756 6.169 720 HA VAL 91 HA VAL 91 -15.564 11.931 3.376 721 HB VAL 91 HB VAL 91 -16.199 14.260 2.766 722 1HG1 VAL 91 1HG1 VAL 91 -18.599 13.975 3.189 723 2HG1 VAL 91 2HG1 VAL 91 -18.233 12.718 4.371 724 3HG1 VAL 91 3HG1 VAL 91 -17.836 12.471 2.670 725 1HG2 VAL 91 1HG2 VAL 91 -17.343 15.649 4.443 726 2HG2 VAL 91 2HG2 VAL 91 -15.644 15.391 4.845 727 3HG2 VAL 91 3HG2 VAL 91 -16.898 14.486 5.693 728 HA PRO 92 HA PRO 92 -11.498 13.724 3.674 729 1HB PRO 92 1HB PRO 92 -10.611 12.885 1.294 730 2HB PRO 92 2HB PRO 92 -10.847 11.765 2.637 731 1HG PRO 92 1HG PRO 92 -12.516 12.193 0.215 732 2HG PRO 92 2HG PRO 92 -12.215 10.705 1.127 733 1HD PRO 92 1HD PRO 92 -14.482 12.356 1.322 734 2HD PRO 92 2HD PRO 92 -14.028 11.054 2.436 735 HA PRO 93 HA PRO 93 -12.488 17.629 1.629 736 1HB PRO 93 1HB PRO 93 -9.679 18.155 2.453 737 2HB PRO 93 2HB PRO 93 -11.134 19.117 2.738 738 1HG PRO 93 1HG PRO 93 -10.028 17.713 4.708 739 2HG PRO 93 2HG PRO 93 -11.792 17.828 4.549 740 1HD PRO 93 1HD PRO 93 -9.965 15.573 3.829 741 2HD PRO 93 2HD PRO 93 -11.583 15.525 4.556 742 H VAL 94 H VAL 94 -12.041 18.418 -0.384 743 HA VAL 94 HA VAL 94 -10.679 16.697 -2.174 744 HB VAL 94 HB VAL 94 -11.265 18.331 -3.901 745 1HG1 VAL 94 1HG1 VAL 94 -12.927 16.698 -3.227 746 2HG1 VAL 94 2HG1 VAL 94 -13.705 18.227 -3.635 747 3HG1 VAL 94 3HG1 VAL 94 -13.486 17.772 -1.946 748 1HG2 VAL 94 1HG2 VAL 94 -12.529 20.354 -3.311 749 2HG2 VAL 94 2HG2 VAL 94 -10.887 20.385 -2.666 750 3HG2 VAL 94 3HG2 VAL 94 -12.246 20.015 -1.604 751 H GLY 95 H GLY 95 -9.530 19.173 -0.202 752 1HA GLY 95 1HA GLY 95 -7.081 19.316 -0.105 753 2HA GLY 95 2HA GLY 95 -7.097 19.356 -1.864 754 H ILE 96 H ILE 96 -5.913 21.250 -0.040 755 HA ILE 96 HA ILE 96 -7.636 23.599 -0.131 756 HB ILE 96 HB ILE 96 -4.769 23.565 0.807 757 1HG1 ILE 96 1HG1 ILE 96 -7.212 22.828 2.439 758 2HG1 ILE 96 2HG1 ILE 96 -5.986 21.689 1.892 759 1HG2 ILE 96 1HG2 ILE 96 -5.548 25.356 2.283 760 2HG2 ILE 96 2HG2 ILE 96 -7.178 25.187 1.632 761 3HG2 ILE 96 3HG2 ILE 96 -5.865 25.740 0.592 762 1HD1 ILE 96 1HD1 ILE 96 -5.557 23.981 3.793 763 2HD1 ILE 96 2HD1 ILE 96 -4.313 22.864 3.233 764 3HD1 ILE 96 3HD1 ILE 96 -5.653 22.272 4.215 765 H THR 97 H THR 97 -6.814 22.471 -2.638 766 HA THR 97 HA THR 97 -4.646 23.914 -3.770 767 HB THR 97 HB THR 97 -6.966 22.651 -5.244 768 HG1 THR 97 HG1 THR 97 -4.569 21.542 -4.164 769 1HG2 THR 97 1HG2 THR 97 -5.346 22.411 -7.068 770 2HG2 THR 97 2HG2 THR 97 -4.117 23.210 -6.088 771 3HG2 THR 97 3HG2 THR 97 -5.542 24.106 -6.617 772 H ASN 98 H ASN 98 -4.823 26.083 -3.527 773 HA ASN 98 HA ASN 98 -6.973 27.390 -5.045 774 1HB ASN 98 1HB ASN 98 -5.923 28.207 -2.326 775 2HB ASN 98 2HB ASN 98 -6.885 29.263 -3.353 776 1HD2 ASN 98 1HD2 ASN 98 -6.889 26.453 -1.326 777 2HD2 ASN 98 2HD2 ASN 98 -8.614 26.296 -1.200 Start of MODEL 2 1 H MET 1 H MET 1 -11.855 15.210 -0.603 2 HA MET 1 HA MET 1 -12.176 15.805 -2.878 3 1HB MET 1 1HB MET 1 -9.539 14.935 -3.155 4 2HB MET 1 2HB MET 1 -10.477 13.728 -4.023 5 1HG MET 1 1HG MET 1 -10.531 16.698 -4.503 6 2HG MET 1 2HG MET 1 -9.726 15.494 -5.506 7 1HE MET 1 1HE MET 1 -10.960 16.443 -7.658 8 2HE MET 1 2HE MET 1 -11.747 17.658 -6.652 9 3HE MET 1 3HE MET 1 -12.706 16.674 -7.758 10 H LYS 2 H LYS 2 -13.221 14.272 -4.516 11 HA LYS 2 HA LYS 2 -14.730 12.328 -3.019 12 1HB LYS 2 1HB LYS 2 -15.770 13.824 -4.705 13 2HB LYS 2 2HB LYS 2 -14.844 13.020 -5.963 14 1HG LYS 2 1HG LYS 2 -17.036 12.124 -6.011 15 2HG LYS 2 2HG LYS 2 -15.982 10.888 -5.324 16 1HD LYS 2 1HD LYS 2 -18.011 10.966 -4.043 17 2HD LYS 2 2HD LYS 2 -16.700 11.618 -3.058 18 1HE LYS 2 1HE LYS 2 -17.416 13.881 -3.554 19 2HE LYS 2 2HE LYS 2 -18.673 13.273 -4.629 20 1HZ LYS 2 1HZ LYS 2 -19.586 13.866 -2.478 21 2HZ LYS 2 2HZ LYS 2 -18.522 12.806 -1.697 22 3HZ LYS 2 3HZ LYS 2 -19.718 12.193 -2.725 23 H SER 3 H SER 3 -14.623 10.154 -3.139 24 HA SER 3 HA SER 3 -14.074 8.051 -3.755 25 1HB SER 3 1HB SER 3 -12.755 9.281 -6.184 26 2HB SER 3 2HB SER 3 -13.145 7.574 -5.958 27 HG SER 3 HG SER 3 -15.340 8.109 -5.948 28 H SER 4 H SER 4 -12.067 10.270 -2.636 29 HA SER 4 HA SER 4 -9.858 8.342 -2.463 30 1HB SER 4 1HB SER 4 -8.636 10.572 -1.640 31 2HB SER 4 2HB SER 4 -8.734 10.130 -3.343 32 HG SER 4 HG SER 4 -9.964 11.788 -3.697 33 H ILE 5 H ILE 5 -9.041 7.845 -0.450 34 HA ILE 5 HA ILE 5 -10.711 8.693 1.827 35 HB ILE 5 HB ILE 5 -9.656 5.897 1.317 36 1HG1 ILE 5 1HG1 ILE 5 -12.475 6.970 1.075 37 2HG1 ILE 5 2HG1 ILE 5 -11.436 6.503 -0.267 38 1HG2 ILE 5 1HG2 ILE 5 -9.876 6.432 3.692 39 2HG2 ILE 5 2HG2 ILE 5 -11.065 5.230 3.191 40 3HG2 ILE 5 3HG2 ILE 5 -11.555 6.907 3.432 41 1HD1 ILE 5 1HD1 ILE 5 -13.078 4.785 0.216 42 2HD1 ILE 5 2HD1 ILE 5 -12.486 4.668 1.873 43 3HD1 ILE 5 3HD1 ILE 5 -11.444 4.198 0.531 44 HA PRO 6 HA PRO 6 -6.802 9.687 3.664 45 1HB PRO 6 1HB PRO 6 -7.492 9.544 6.304 46 2HB PRO 6 2HB PRO 6 -7.866 10.913 5.261 47 1HG PRO 6 1HG PRO 6 -9.611 8.659 6.136 48 2HG PRO 6 2HG PRO 6 -10.015 10.371 5.919 49 1HD PRO 6 1HD PRO 6 -10.672 8.453 4.115 50 2HD PRO 6 2HD PRO 6 -10.341 10.134 3.660 51 H ILE 7 H ILE 7 -5.077 8.772 4.810 52 HA ILE 7 HA ILE 7 -4.958 5.935 4.737 53 HB ILE 7 HB ILE 7 -2.950 7.335 4.402 54 1HG1 ILE 7 1HG1 ILE 7 -1.407 5.992 5.792 55 2HG1 ILE 7 2HG1 ILE 7 -2.774 5.465 6.772 56 1HG2 ILE 7 1HG2 ILE 7 -3.200 7.938 7.344 57 2HG2 ILE 7 2HG2 ILE 7 -3.387 9.085 6.018 58 3HG2 ILE 7 3HG2 ILE 7 -1.815 8.348 6.330 59 1HD1 ILE 7 1HD1 ILE 7 -3.745 4.358 4.849 60 2HD1 ILE 7 2HD1 ILE 7 -2.109 3.776 5.155 61 3HD1 ILE 7 3HD1 ILE 7 -2.408 4.913 3.839 62 H THR 8 H THR 8 -5.716 8.289 7.135 63 HA THR 8 HA THR 8 -5.463 6.895 9.488 64 HB THR 8 HB THR 8 -7.416 8.979 8.547 65 HG1 THR 8 HG1 THR 8 -6.061 10.334 9.795 66 1HG2 THR 8 1HG2 THR 8 -8.468 7.728 10.353 67 2HG2 THR 8 2HG2 THR 8 -8.051 9.368 10.849 68 3HG2 THR 8 3HG2 THR 8 -7.055 8.009 11.371 69 H GLU 9 H GLU 9 -7.975 6.653 7.029 70 HA GLU 9 HA GLU 9 -9.497 4.785 8.671 71 1HB GLU 9 1HB GLU 9 -9.990 5.951 5.930 72 2HB GLU 9 2HB GLU 9 -11.033 4.744 6.669 73 1HG GLU 9 1HG GLU 9 -10.465 7.482 7.782 74 2HG GLU 9 2HG GLU 9 -11.919 7.007 6.907 75 H VAL 10 H VAL 10 -7.659 4.889 5.659 76 HA VAL 10 HA VAL 10 -8.340 2.258 4.849 77 HB VAL 10 HB VAL 10 -6.081 4.052 3.955 78 1HG1 VAL 10 1HG1 VAL 10 -5.529 1.720 3.491 79 2HG1 VAL 10 2HG1 VAL 10 -5.899 2.589 2.001 80 3HG1 VAL 10 3HG1 VAL 10 -7.092 1.499 2.705 81 1HG2 VAL 10 1HG2 VAL 10 -8.258 4.971 3.475 82 2HG2 VAL 10 2HG2 VAL 10 -8.788 3.440 2.780 83 3HG2 VAL 10 3HG2 VAL 10 -7.533 4.384 1.978 84 H LEU 11 H LEU 11 -5.610 3.585 6.635 85 HA LEU 11 HA LEU 11 -3.894 1.403 6.517 86 1HB LEU 11 1HB LEU 11 -2.966 3.369 7.299 87 2HB LEU 11 2HB LEU 11 -4.274 3.672 8.423 88 HG LEU 11 HG LEU 11 -3.424 1.834 9.847 89 1HD1 LEU 11 1HD1 LEU 11 -1.164 0.984 9.455 90 2HD1 LEU 11 2HD1 LEU 11 -1.119 1.832 7.910 91 3HD1 LEU 11 3HD1 LEU 11 -2.276 0.524 8.165 92 1HD2 LEU 11 1HD2 LEU 11 -1.510 3.084 10.710 93 2HD2 LEU 11 2HD2 LEU 11 -2.845 4.159 10.286 94 3HD2 LEU 11 3HD2 LEU 11 -1.448 4.022 9.216 95 HA PRO 12 HA PRO 12 -5.676 -0.418 10.611 96 1HB PRO 12 1HB PRO 12 -8.006 0.600 11.572 97 2HB PRO 12 2HB PRO 12 -6.412 1.179 12.073 98 1HG PRO 12 1HG PRO 12 -8.304 2.328 10.060 99 2HG PRO 12 2HG PRO 12 -7.348 3.160 11.301 100 1HD PRO 12 1HD PRO 12 -6.585 3.096 8.725 101 2HD PRO 12 2HD PRO 12 -5.414 3.067 10.052 102 H ARG 13 H ARG 13 -7.776 0.584 8.015 103 HA ARG 13 HA ARG 13 -9.438 -1.788 8.411 104 1HB ARG 13 1HB ARG 13 -9.798 0.573 6.559 105 2HB ARG 13 2HB ARG 13 -10.931 -0.750 6.762 106 1HG ARG 13 1HG ARG 13 -11.208 -0.141 9.124 107 2HG ARG 13 2HG ARG 13 -10.107 1.216 8.884 108 1HD ARG 13 1HD ARG 13 -11.698 2.025 7.097 109 2HD ARG 13 2HD ARG 13 -12.829 0.798 7.668 110 HE ARG 13 HE ARG 13 -12.139 3.283 8.967 111 1HH1 ARG 13 1HH1 ARG 13 -13.524 0.081 9.394 112 2HH1 ARG 13 2HH1 ARG 13 -14.364 0.505 10.853 113 1HH2 ARG 13 1HH2 ARG 13 -13.193 3.819 10.907 114 2HH2 ARG 13 2HH2 ARG 13 -14.148 2.625 11.734 115 H ALA 14 H ALA 14 -6.594 -1.454 7.141 116 HA ALA 14 HA ALA 14 -7.124 -2.627 4.517 117 1HB ALA 14 1HB ALA 14 -4.494 -1.848 5.778 118 2HB ALA 14 2HB ALA 14 -5.441 -0.850 4.673 119 3HB ALA 14 3HB ALA 14 -4.741 -2.365 4.109 120 H VAL 15 H VAL 15 -6.160 -4.599 3.860 121 HA VAL 15 HA VAL 15 -5.465 -6.423 6.073 122 HB VAL 15 HB VAL 15 -6.395 -8.273 4.680 123 1HG1 VAL 15 1HG1 VAL 15 -7.710 -7.332 6.495 124 2HG1 VAL 15 2HG1 VAL 15 -8.753 -7.783 5.147 125 3HG1 VAL 15 3HG1 VAL 15 -8.343 -6.089 5.413 126 1HG2 VAL 15 1HG2 VAL 15 -7.478 -6.017 2.992 127 2HG2 VAL 15 2HG2 VAL 15 -7.913 -7.718 2.837 128 3HG2 VAL 15 3HG2 VAL 15 -6.261 -7.197 2.499 129 H GLY 16 H GLY 16 -4.202 -4.768 3.593 130 1HA GLY 16 1HA GLY 16 -1.907 -6.484 3.404 131 2HA GLY 16 2HA GLY 16 -2.822 -6.378 1.902 132 H SER 17 H SER 17 -0.135 -5.427 2.312 133 HA SER 17 HA SER 17 -0.534 -2.699 1.443 134 1HB SER 17 1HB SER 17 1.147 -3.277 3.897 135 2HB SER 17 2HB SER 17 0.953 -1.707 3.120 136 HG SER 17 HG SER 17 -1.467 -2.612 3.615 137 H LEU 18 H LEU 18 0.849 -2.245 -0.127 138 HA LEU 18 HA LEU 18 3.250 -3.919 -0.414 139 1HB LEU 18 1HB LEU 18 1.420 -2.611 -2.367 140 2HB LEU 18 2HB LEU 18 3.105 -2.809 -2.801 141 HG LEU 18 HG LEU 18 1.330 -5.084 -1.952 142 1HD1 LEU 18 1HD1 LEU 18 1.233 -5.681 -4.319 143 2HD1 LEU 18 2HD1 LEU 18 2.098 -4.199 -4.727 144 3HD1 LEU 18 3HD1 LEU 18 0.483 -4.111 -4.022 145 1HD2 LEU 18 1HD2 LEU 18 3.083 -6.475 -2.881 146 2HD2 LEU 18 2HD2 LEU 18 3.747 -5.414 -1.638 147 3HD2 LEU 18 3HD2 LEU 18 4.001 -5.042 -3.343 148 H THR 19 H THR 19 5.096 -2.961 0.102 149 HA THR 19 HA THR 19 5.224 -0.053 0.230 150 HB THR 19 HB THR 19 7.313 -2.098 1.021 151 HG1 THR 19 HG1 THR 19 5.459 -2.292 2.323 152 1HG2 THR 19 1HG2 THR 19 7.067 0.841 1.688 153 2HG2 THR 19 2HG2 THR 19 8.237 0.136 0.572 154 3HG2 THR 19 3HG2 THR 19 8.310 -0.257 2.289 155 H PHE 20 H PHE 20 5.707 0.965 -1.581 156 HA PHE 20 HA PHE 20 7.602 -0.236 -3.476 157 1HB PHE 20 1HB PHE 20 5.443 1.842 -3.785 158 2HB PHE 20 2HB PHE 20 6.723 1.678 -4.975 159 HD1 PHE 20 HD1 PHE 20 6.423 0.287 -6.752 160 HD2 PHE 20 HD2 PHE 20 4.127 -0.338 -3.230 161 HE1 PHE 20 HE1 PHE 20 5.132 -1.455 -7.912 162 HE2 PHE 20 HE2 PHE 20 2.826 -2.079 -4.387 163 HZ PHE 20 HZ PHE 20 3.329 -2.636 -6.725 164 H ASP 21 H ASP 21 9.165 1.115 -4.447 165 HA ASP 21 HA ASP 21 10.339 3.044 -2.627 166 1HB ASP 21 1HB ASP 21 11.694 1.278 -3.775 167 2HB ASP 21 2HB ASP 21 11.309 2.029 -5.316 168 H GLU 22 H GLU 22 11.270 5.108 -3.717 169 HA GLU 22 HA GLU 22 9.081 6.509 -4.880 170 1HB GLU 22 1HB GLU 22 10.630 8.419 -4.958 171 2HB GLU 22 2HB GLU 22 10.585 7.664 -3.376 172 1HG GLU 22 1HG GLU 22 12.688 6.510 -3.889 173 2HG GLU 22 2HG GLU 22 12.734 7.322 -5.457 174 H ASN 23 H ASN 23 11.677 4.652 -6.107 175 HA ASN 23 HA ASN 23 11.432 5.684 -8.805 176 1HB ASN 23 1HB ASN 23 12.917 3.319 -7.641 177 2HB ASN 23 2HB ASN 23 12.928 3.734 -9.347 178 1HD2 ASN 23 1HD2 ASN 23 13.964 4.663 -6.162 179 2HD2 ASN 23 2HD2 ASN 23 15.144 5.833 -6.676 180 H TYR 24 H TYR 24 9.364 4.147 -6.984 181 HA TYR 24 HA TYR 24 7.472 2.977 -7.338 182 1HB TYR 24 1HB TYR 24 8.171 3.344 -10.257 183 2HB TYR 24 2HB TYR 24 6.610 2.794 -9.646 184 HD1 TYR 24 HD1 TYR 24 8.660 5.644 -10.403 185 HD2 TYR 24 HD2 TYR 24 5.300 4.358 -8.134 186 HE1 TYR 24 HE1 TYR 24 7.949 7.984 -10.138 187 HE2 TYR 24 HE2 TYR 24 4.578 6.691 -7.867 188 HH TYR 24 HH TYR 24 5.955 9.269 -9.654 189 H ASN 25 H ASN 25 9.946 1.618 -6.923 190 HA ASN 25 HA ASN 25 9.492 -0.931 -8.314 191 1HB ASN 25 1HB ASN 25 11.817 -0.077 -6.568 192 2HB ASN 25 2HB ASN 25 11.704 -1.577 -7.481 193 1HD2 ASN 25 1HD2 ASN 25 13.606 0.703 -7.541 194 2HD2 ASN 25 2HD2 ASN 25 13.647 1.215 -9.206 195 H LEU 26 H LEU 26 9.005 -2.802 -7.125 196 HA LEU 26 HA LEU 26 7.749 -2.401 -4.606 197 1HB LEU 26 1HB LEU 26 6.954 -4.115 -6.122 198 2HB LEU 26 2HB LEU 26 8.504 -4.934 -6.062 199 HG LEU 26 HG LEU 26 8.155 -5.536 -3.744 200 1HD1 LEU 26 1HD1 LEU 26 5.580 -3.991 -3.975 201 2HD1 LEU 26 2HD1 LEU 26 6.982 -3.552 -3.001 202 3HD1 LEU 26 3HD1 LEU 26 6.051 -4.998 -2.605 203 1HD2 LEU 26 1HD2 LEU 26 7.229 -7.022 -5.434 204 2HD2 LEU 26 2HD2 LEU 26 5.721 -6.109 -5.427 205 3HD2 LEU 26 3HD2 LEU 26 6.216 -7.007 -3.991 206 H LEU 27 H LEU 27 8.564 -2.471 -2.633 207 HA LEU 27 HA LEU 27 11.336 -3.375 -2.284 208 1HB LEU 27 1HB LEU 27 9.616 -1.640 -0.511 209 2HB LEU 27 2HB LEU 27 11.287 -2.066 -0.200 210 HG LEU 27 HG LEU 27 10.338 -0.436 -2.556 211 1HD1 LEU 27 1HD1 LEU 27 11.375 1.452 -1.380 212 2HD1 LEU 27 2HD1 LEU 27 11.676 0.410 0.011 213 3HD1 LEU 27 3HD1 LEU 27 10.020 0.773 -0.479 214 1HD2 LEU 27 1HD2 LEU 27 12.369 -1.672 -3.039 215 2HD2 LEU 27 2HD2 LEU 27 13.107 -1.087 -1.547 216 3HD2 LEU 27 3HD2 LEU 27 12.733 0.043 -2.848 217 H ASP 28 H ASP 28 8.203 -3.422 -0.590 218 HA ASP 28 HA ASP 28 8.846 -6.075 0.466 219 1HB ASP 28 1HB ASP 28 9.570 -4.534 2.202 220 2HB ASP 28 2HB ASP 28 8.026 -3.692 2.137 221 H THR 29 H THR 29 7.037 -7.329 1.013 222 HA THR 29 HA THR 29 4.449 -6.238 0.112 223 HB THR 29 HB THR 29 5.381 -9.098 -0.195 224 HG1 THR 29 HG1 THR 29 6.489 -7.409 -1.515 225 1HG2 THR 29 1HG2 THR 29 2.956 -8.835 -0.078 226 2HG2 THR 29 2HG2 THR 29 3.460 -9.289 -1.706 227 3HG2 THR 29 3HG2 THR 29 3.018 -7.619 -1.352 228 H SER 30 H SER 30 2.791 -6.430 1.549 229 HA SER 30 HA SER 30 3.113 -8.303 3.796 230 1HB SER 30 1HB SER 30 2.187 -5.436 4.079 231 2HB SER 30 2HB SER 30 2.433 -6.600 5.380 232 HG SER 30 HG SER 30 4.671 -6.459 3.944 233 H GLY 31 H GLY 31 1.233 -9.104 4.696 234 1HA GLY 31 1HA GLY 31 -0.994 -9.596 4.932 235 2HA GLY 31 2HA GLY 31 -1.351 -8.064 4.153 236 H VAL 32 H VAL 32 -3.024 -8.839 2.949 237 HA VAL 32 HA VAL 32 -2.984 -11.198 1.400 238 HB VAL 32 HB VAL 32 -4.666 -8.731 0.923 239 1HG1 VAL 32 1HG1 VAL 32 -5.155 -11.630 0.254 240 2HG1 VAL 32 2HG1 VAL 32 -4.732 -10.359 -0.893 241 3HG1 VAL 32 3HG1 VAL 32 -6.272 -10.295 -0.035 242 1HG2 VAL 32 1HG2 VAL 32 -4.838 -9.420 3.241 243 2HG2 VAL 32 2HG2 VAL 32 -5.166 -11.081 2.746 244 3HG2 VAL 32 3HG2 VAL 32 -6.327 -9.805 2.378 245 H ALA 33 H ALA 33 -1.489 -8.193 0.894 246 HA ALA 33 HA ALA 33 -1.597 -7.961 -1.904 247 1HB ALA 33 1HB ALA 33 -0.872 -6.156 -0.396 248 2HB ALA 33 2HB ALA 33 0.282 -6.461 -1.693 249 3HB ALA 33 3HB ALA 33 0.612 -7.050 -0.063 250 H LYS 34 H LYS 34 -0.045 -10.265 0.039 251 HA LYS 34 HA LYS 34 2.185 -10.821 -1.659 252 1HB LYS 34 1HB LYS 34 0.874 -12.537 0.454 253 2HB LYS 34 2HB LYS 34 2.433 -12.840 -0.289 254 1HG LYS 34 1HG LYS 34 3.303 -10.771 0.664 255 2HG LYS 34 2HG LYS 34 1.733 -10.463 1.412 256 1HD LYS 34 1HD LYS 34 3.558 -12.800 1.968 257 2HD LYS 34 2HD LYS 34 3.262 -11.423 3.033 258 1HE LYS 34 1HE LYS 34 0.915 -12.057 3.216 259 2HE LYS 34 2HE LYS 34 1.185 -13.413 2.123 260 1HZ LYS 34 1HZ LYS 34 2.744 -14.334 3.756 261 2HZ LYS 34 2HZ LYS 34 1.179 -14.164 4.390 262 3HZ LYS 34 3HZ LYS 34 2.390 -13.055 4.816 263 H VAL 35 H VAL 35 -1.157 -11.836 -1.536 264 HA VAL 35 HA VAL 35 -0.629 -13.950 -3.498 265 HB VAL 35 HB VAL 35 -2.901 -14.712 -3.159 266 1HG1 VAL 35 1HG1 VAL 35 -1.541 -14.140 -0.535 267 2HG1 VAL 35 2HG1 VAL 35 -1.206 -15.499 -1.607 268 3HG1 VAL 35 3HG1 VAL 35 -2.775 -15.370 -0.812 269 1HG2 VAL 35 1HG2 VAL 35 -4.407 -13.668 -1.546 270 2HG2 VAL 35 2HG2 VAL 35 -3.999 -12.554 -2.850 271 3HG2 VAL 35 3HG2 VAL 35 -3.231 -12.380 -1.270 272 H ILE 36 H ILE 36 -1.865 -10.773 -3.208 273 HA ILE 36 HA ILE 36 -3.378 -10.738 -5.632 274 HB ILE 36 HB ILE 36 -2.272 -8.521 -3.901 275 1HG1 ILE 36 1HG1 ILE 36 -5.122 -9.434 -4.316 276 2HG1 ILE 36 2HG1 ILE 36 -4.103 -10.010 -3.004 277 1HG2 ILE 36 1HG2 ILE 36 -4.090 -8.306 -6.295 278 2HG2 ILE 36 2HG2 ILE 36 -2.456 -7.657 -6.147 279 3HG2 ILE 36 3HG2 ILE 36 -3.759 -7.003 -5.155 280 1HD1 ILE 36 1HD1 ILE 36 -3.917 -7.741 -2.147 281 2HD1 ILE 36 2HD1 ILE 36 -5.602 -8.246 -2.271 282 3HD1 ILE 36 3HD1 ILE 36 -4.919 -7.153 -3.474 283 H GLU 37 H GLU 37 -2.789 -9.916 -7.624 284 HA GLU 37 HA GLU 37 -0.125 -10.363 -8.454 285 1HB GLU 37 1HB GLU 37 -0.934 -9.463 -10.632 286 2HB GLU 37 2HB GLU 37 -1.949 -10.741 -9.977 287 1HG GLU 37 1HG GLU 37 -3.490 -9.010 -9.110 288 2HG GLU 37 2HG GLU 37 -2.503 -7.785 -9.907 289 H LYS 38 H LYS 38 1.440 -8.916 -9.181 290 HA LYS 38 HA LYS 38 1.447 -6.370 -7.833 291 1HB LYS 38 1HB LYS 38 3.450 -7.921 -9.436 292 2HB LYS 38 2HB LYS 38 3.716 -6.207 -9.151 293 1HG LYS 38 1HG LYS 38 4.836 -7.787 -7.540 294 2HG LYS 38 2HG LYS 38 3.856 -6.514 -6.813 295 1HD LYS 38 1HD LYS 38 2.044 -8.069 -6.439 296 2HD LYS 38 2HD LYS 38 2.914 -9.340 -7.295 297 1HE LYS 38 1HE LYS 38 3.954 -8.007 -4.806 298 2HE LYS 38 2HE LYS 38 2.977 -9.476 -4.784 299 1HZ LYS 38 1HZ LYS 38 4.691 -10.490 -6.249 300 2HZ LYS 38 2HZ LYS 38 5.247 -10.105 -4.694 301 3HZ LYS 38 3HZ LYS 38 5.660 -9.120 -6.011 302 H SER 39 H SER 39 1.985 -7.292 -11.253 303 HA SER 39 HA SER 39 1.275 -6.356 -13.194 304 1HB SER 39 1HB SER 39 -0.966 -5.446 -11.369 305 2HB SER 39 2HB SER 39 -1.042 -5.454 -13.132 306 HG SER 39 HG SER 39 -1.966 -7.355 -12.194 307 HA PRO 40 HA PRO 40 2.293 -1.992 -13.561 308 1HB PRO 40 1HB PRO 40 -0.226 -1.092 -14.754 309 2HB PRO 40 2HB PRO 40 1.381 -1.187 -15.472 310 1HG PRO 40 1HG PRO 40 -0.606 -2.845 -16.204 311 2HG PRO 40 2HG PRO 40 1.089 -3.366 -16.166 312 1HD PRO 40 1HD PRO 40 -1.087 -3.849 -14.163 313 2HD PRO 40 2HD PRO 40 0.137 -4.976 -14.787 314 H ILE 41 H ILE 41 0.932 -2.638 -11.035 315 HA ILE 41 HA ILE 41 -0.827 -0.575 -10.274 316 HB ILE 41 HB ILE 41 1.116 -2.224 -8.662 317 1HG1 ILE 41 1HG1 ILE 41 -1.900 -2.180 -8.852 318 2HG1 ILE 41 2HG1 ILE 41 -0.835 -3.393 -9.553 319 1HG2 ILE 41 1HG2 ILE 41 -0.855 -0.205 -7.597 320 2HG2 ILE 41 2HG2 ILE 41 0.903 -0.072 -7.540 321 3HG2 ILE 41 3HG2 ILE 41 0.085 -1.340 -6.627 322 1HD1 ILE 41 1HD1 ILE 41 -1.259 -2.858 -6.624 323 2HD1 ILE 41 2HD1 ILE 41 -0.107 -4.019 -7.286 324 3HD1 ILE 41 3HD1 ILE 41 -1.840 -4.249 -7.542 325 H ALA 42 H ALA 42 2.677 -0.754 -10.405 326 HA ALA 42 HA ALA 42 3.315 1.641 -9.106 327 1HB ALA 42 1HB ALA 42 5.450 1.519 -10.261 328 2HB ALA 42 2HB ALA 42 4.791 0.337 -11.392 329 3HB ALA 42 3HB ALA 42 4.972 -0.079 -9.686 330 H GLU 43 H GLU 43 2.329 0.976 -12.402 331 HA GLU 43 HA GLU 43 2.781 3.502 -13.532 332 1HB GLU 43 1HB GLU 43 2.268 1.509 -14.861 333 2HB GLU 43 2HB GLU 43 0.655 1.444 -14.166 334 1HG GLU 43 1HG GLU 43 0.576 2.354 -16.396 335 2HG GLU 43 2HG GLU 43 0.121 3.587 -15.220 336 H ILE 44 H ILE 44 0.039 2.187 -11.724 337 HA ILE 44 HA ILE 44 -1.500 4.590 -12.049 338 HB ILE 44 HB ILE 44 -2.006 2.481 -9.955 339 1HG1 ILE 44 1HG1 ILE 44 -1.715 1.355 -12.133 340 2HG1 ILE 44 2HG1 ILE 44 -3.389 1.294 -11.596 341 1HG2 ILE 44 1HG2 ILE 44 -3.332 4.497 -9.763 342 2HG2 ILE 44 2HG2 ILE 44 -4.355 3.173 -10.321 343 3HG2 ILE 44 3HG2 ILE 44 -3.791 4.395 -11.462 344 1HD1 ILE 44 1HD1 ILE 44 -3.943 3.118 -13.117 345 2HD1 ILE 44 2HD1 ILE 44 -3.243 1.743 -13.972 346 3HD1 ILE 44 3HD1 ILE 44 -2.263 3.176 -13.658 347 H ILE 45 H ILE 45 0.801 3.324 -9.741 348 HA ILE 45 HA ILE 45 0.267 5.058 -7.588 349 HB ILE 45 HB ILE 45 2.916 3.833 -8.402 350 1HG1 ILE 45 1HG1 ILE 45 0.860 3.000 -6.341 351 2HG1 ILE 45 2HG1 ILE 45 1.216 2.165 -7.852 352 1HG2 ILE 45 1HG2 ILE 45 3.658 4.326 -6.127 353 2HG2 ILE 45 2HG2 ILE 45 2.131 5.142 -5.798 354 3HG2 ILE 45 3HG2 ILE 45 3.245 5.806 -6.995 355 1HD1 ILE 45 1HD1 ILE 45 3.115 2.520 -5.541 356 2HD1 ILE 45 2HD1 ILE 45 3.471 1.682 -7.054 357 3HD1 ILE 45 3HD1 ILE 45 2.243 1.044 -5.959 358 H ARG 46 H ARG 46 2.474 5.400 -10.362 359 HA ARG 46 HA ARG 46 3.478 7.926 -9.597 360 1HB ARG 46 1HB ARG 46 4.193 8.116 -11.975 361 2HB ARG 46 2HB ARG 46 4.721 6.639 -11.194 362 1HG ARG 46 1HG ARG 46 2.831 5.470 -12.290 363 2HG ARG 46 2HG ARG 46 2.461 6.962 -13.150 364 1HD ARG 46 1HD ARG 46 5.083 5.484 -13.299 365 2HD ARG 46 2HD ARG 46 3.789 5.359 -14.485 366 HE ARG 46 HE ARG 46 5.130 7.926 -13.912 367 1HH1 ARG 46 1HH1 ARG 46 3.905 5.536 -16.175 368 2HH1 ARG 46 2HH1 ARG 46 4.487 6.391 -17.577 369 1HH2 ARG 46 1HH2 ARG 46 5.872 9.046 -15.767 370 2HH2 ARG 46 2HH2 ARG 46 5.587 8.376 -17.343 371 H LYS 47 H LYS 47 0.784 6.974 -11.682 372 HA LYS 47 HA LYS 47 -0.004 9.547 -12.477 373 1HB LYS 47 1HB LYS 47 -1.697 7.093 -11.973 374 2HB LYS 47 2HB LYS 47 -2.255 8.540 -12.807 375 1HG LYS 47 1HG LYS 47 -0.642 8.193 -14.567 376 2HG LYS 47 2HG LYS 47 0.032 6.805 -13.713 377 1HD LYS 47 1HD LYS 47 -2.119 5.644 -13.920 378 2HD LYS 47 2HD LYS 47 -2.778 7.030 -14.792 379 1HE LYS 47 1HE LYS 47 -1.044 6.732 -16.516 380 2HE LYS 47 2HE LYS 47 -0.459 5.310 -15.656 381 1HZ LYS 47 1HZ LYS 47 -1.961 4.829 -17.555 382 2HZ LYS 47 2HZ LYS 47 -3.223 5.573 -16.702 383 3HZ LYS 47 3HZ LYS 47 -2.491 4.176 -16.087 384 H SER 48 H SER 48 -1.008 7.596 -9.688 385 HA SER 48 HA SER 48 -2.776 9.499 -8.596 386 1HB SER 48 1HB SER 48 -1.227 7.363 -7.118 387 2HB SER 48 2HB SER 48 -2.718 8.141 -6.596 388 HG SER 48 HG SER 48 -2.366 6.418 -8.824 389 H ASN 49 H ASN 49 0.677 9.042 -8.353 390 HA ASN 49 HA ASN 49 1.134 10.645 -6.078 391 1HB ASN 49 1HB ASN 49 2.847 9.132 -6.843 392 2HB ASN 49 2HB ASN 49 2.923 9.942 -8.405 393 1HD2 ASN 49 1HD2 ASN 49 4.244 11.638 -8.662 394 2HD2 ASN 49 2HD2 ASN 49 5.188 12.346 -7.394 395 H ALA 50 H ALA 50 0.833 11.365 -9.485 396 HA ALA 50 HA ALA 50 1.624 14.117 -9.199 397 1HB ALA 50 1HB ALA 50 1.049 14.327 -11.545 398 2HB ALA 50 2HB ALA 50 0.266 12.748 -11.517 399 3HB ALA 50 3HB ALA 50 2.009 12.871 -11.284 400 H GLU 51 H GLU 51 -1.295 12.309 -8.933 401 HA GLU 51 HA GLU 51 -3.030 14.592 -9.306 402 1HB GLU 51 1HB GLU 51 -3.621 11.769 -8.403 403 2HB GLU 51 2HB GLU 51 -4.839 12.997 -8.719 404 1HG GLU 51 1HG GLU 51 -2.891 11.919 -10.745 405 2HG GLU 51 2HG GLU 51 -4.576 11.430 -10.582 406 H LEU 52 H LEU 52 -1.973 12.557 -6.595 407 HA LEU 52 HA LEU 52 -3.157 14.541 -4.776 408 1HB LEU 52 1HB LEU 52 -3.629 12.663 -3.215 409 2HB LEU 52 2HB LEU 52 -4.564 12.634 -4.697 410 HG LEU 52 HG LEU 52 -2.876 10.940 -5.568 411 1HD1 LEU 52 1HD1 LEU 52 -1.672 9.644 -3.898 412 2HD1 LEU 52 2HD1 LEU 52 -2.195 10.770 -2.642 413 3HD1 LEU 52 3HD1 LEU 52 -1.122 11.322 -3.929 414 1HD2 LEU 52 1HD2 LEU 52 -5.113 10.328 -4.934 415 2HD2 LEU 52 2HD2 LEU 52 -4.640 10.255 -3.235 416 3HD2 LEU 52 3HD2 LEU 52 -3.973 9.096 -4.385 417 H GLY 53 H GLY 53 -2.215 14.432 -2.536 418 1HA GLY 53 1HA GLY 53 0.691 13.961 -2.766 419 2HA GLY 53 2HA GLY 53 -0.009 15.308 -1.883 420 H ARG 54 H ARG 54 -1.976 12.735 -1.253 421 HA ARG 54 HA ARG 54 -0.408 11.419 0.743 422 1HB ARG 54 1HB ARG 54 -0.759 13.566 1.880 423 2HB ARG 54 2HB ARG 54 -2.499 13.384 1.690 424 1HG ARG 54 1HG ARG 54 -2.354 11.293 3.045 425 2HG ARG 54 2HG ARG 54 -0.659 11.678 3.353 426 1HD ARG 54 1HD ARG 54 -3.019 13.414 4.059 427 2HD ARG 54 2HD ARG 54 -2.116 12.403 5.185 428 HE ARG 54 HE ARG 54 -0.374 14.193 3.853 429 1HH1 ARG 54 1HH1 ARG 54 -2.825 14.087 6.342 430 2HH1 ARG 54 2HH1 ARG 54 -2.214 15.480 7.186 431 1HH2 ARG 54 1HH2 ARG 54 0.451 16.005 4.974 432 2HH2 ARG 54 2HH2 ARG 54 -0.351 16.559 6.412 433 H LEU 55 H LEU 55 -3.687 12.262 -0.311 434 HA LEU 55 HA LEU 55 -5.070 10.280 1.088 435 1HB LEU 55 1HB LEU 55 -5.824 11.483 -1.575 436 2HB LEU 55 2HB LEU 55 -6.909 10.683 -0.450 437 HG LEU 55 HG LEU 55 -5.481 13.309 -0.021 438 1HD1 LEU 55 1HD1 LEU 55 -7.394 13.463 -1.506 439 2HD1 LEU 55 2HD1 LEU 55 -7.750 14.226 0.043 440 3HD1 LEU 55 3HD1 LEU 55 -8.401 12.628 -0.323 441 1HD2 LEU 55 1HD2 LEU 55 -6.677 13.418 2.110 442 2HD2 LEU 55 2HD2 LEU 55 -5.569 12.045 2.061 443 3HD2 LEU 55 3HD2 LEU 55 -7.301 11.791 1.843 444 H GLY 56 H GLY 56 -6.330 8.466 0.044 445 1HA GLY 56 1HA GLY 56 -4.379 6.827 -1.401 446 2HA GLY 56 2HA GLY 56 -5.717 6.224 -0.439 447 H TYR 57 H TYR 57 -4.642 7.209 -3.519 448 HA TYR 57 HA TYR 57 -7.220 7.147 -4.809 449 1HB TYR 57 1HB TYR 57 -5.250 8.437 -5.673 450 2HB TYR 57 2HB TYR 57 -4.453 6.915 -6.026 451 HD1 TYR 57 HD1 TYR 57 -5.355 5.448 -7.832 452 HD2 TYR 57 HD2 TYR 57 -6.889 9.351 -7.120 453 HE1 TYR 57 HE1 TYR 57 -6.359 5.458 -10.078 454 HE2 TYR 57 HE2 TYR 57 -7.902 9.368 -9.359 455 HH TYR 57 HH TYR 57 -8.176 6.567 -11.285 456 H SER 58 H SER 58 -8.225 5.367 -5.635 457 HA SER 58 HA SER 58 -7.229 2.788 -4.964 458 1HB SER 58 1HB SER 58 -9.523 3.524 -6.799 459 2HB SER 58 2HB SER 58 -9.249 1.952 -6.046 460 HG SER 58 HG SER 58 -10.752 3.644 -5.025 461 H VAL 59 H VAL 59 -5.570 1.919 -5.980 462 HA VAL 59 HA VAL 59 -5.058 2.600 -8.767 463 HB VAL 59 HB VAL 59 -2.852 1.533 -8.424 464 1HG1 VAL 59 1HG1 VAL 59 -3.132 3.917 -8.022 465 2HG1 VAL 59 2HG1 VAL 59 -1.952 3.226 -6.909 466 3HG1 VAL 59 3HG1 VAL 59 -3.583 3.594 -6.347 467 1HG2 VAL 59 1HG2 VAL 59 -3.446 -0.122 -6.750 468 2HG2 VAL 59 2HG2 VAL 59 -3.811 1.153 -5.586 469 3HG2 VAL 59 3HG2 VAL 59 -2.156 0.916 -6.146 470 H TYR 60 H TYR 60 -5.925 -0.125 -6.764 471 HA TYR 60 HA TYR 60 -6.300 -1.711 -9.200 472 1HB TYR 60 1HB TYR 60 -4.145 -2.399 -8.265 473 2HB TYR 60 2HB TYR 60 -4.894 -2.663 -6.694 474 HD1 TYR 60 HD1 TYR 60 -4.913 -3.848 -10.215 475 HD2 TYR 60 HD2 TYR 60 -5.822 -4.750 -6.156 476 HE1 TYR 60 HE1 TYR 60 -5.362 -6.182 -10.843 477 HE2 TYR 60 HE2 TYR 60 -6.276 -7.089 -6.777 478 HH TYR 60 HH TYR 60 -5.493 -8.348 -9.904 479 H GLU 61 H GLU 61 -8.322 -2.489 -9.251 480 HA GLU 61 HA GLU 61 -9.656 -2.934 -6.665 481 1HB GLU 61 1HB GLU 61 -10.646 -1.045 -7.901 482 2HB GLU 61 2HB GLU 61 -10.962 -2.108 -9.266 483 1HG GLU 61 1HG GLU 61 -12.434 -3.458 -7.819 484 2HG GLU 61 2HG GLU 61 -12.158 -2.308 -6.512 485 H ASP 62 H ASP 62 -10.147 -4.923 -6.248 486 HA ASP 62 HA ASP 62 -10.604 -6.815 -8.456 487 1HB ASP 62 1HB ASP 62 -8.491 -7.300 -7.266 488 2HB ASP 62 2HB ASP 62 -9.358 -7.343 -5.737 489 H ALA 63 H ALA 63 -12.042 -8.683 -7.664 490 HA ALA 63 HA ALA 63 -14.433 -7.571 -6.630 491 1HB ALA 63 1HB ALA 63 -14.405 -9.427 -8.238 492 2HB ALA 63 2HB ALA 63 -15.344 -9.815 -6.796 493 3HB ALA 63 3HB ALA 63 -13.723 -10.478 -6.997 494 H GLN 64 H GLN 64 -11.679 -8.954 -5.151 495 HA GLN 64 HA GLN 64 -13.117 -9.506 -2.657 496 1HB GLN 64 1HB GLN 64 -10.195 -9.964 -3.220 497 2HB GLN 64 2HB GLN 64 -11.183 -10.697 -1.964 498 1HG GLN 64 1HG GLN 64 -12.326 -12.052 -3.521 499 2HG GLN 64 2HG GLN 64 -11.676 -11.148 -4.889 500 1HE2 GLN 64 1HE2 GLN 64 -9.476 -11.367 -5.406 501 2HE2 GLN 64 2HE2 GLN 64 -8.599 -12.790 -4.947 502 H TYR 65 H TYR 65 -10.303 -7.641 -3.838 503 HA TYR 65 HA TYR 65 -10.514 -5.935 -1.448 504 1HB TYR 65 1HB TYR 65 -7.857 -6.851 -2.550 505 2HB TYR 65 2HB TYR 65 -8.171 -6.031 -1.027 506 HD1 TYR 65 HD1 TYR 65 -9.281 -7.288 0.834 507 HD2 TYR 65 HD2 TYR 65 -7.976 -9.206 -2.729 508 HE1 TYR 65 HE1 TYR 65 -9.418 -9.467 1.963 509 HE2 TYR 65 HE2 TYR 65 -8.109 -11.389 -1.609 510 HH TYR 65 HH TYR 65 -9.742 -11.904 1.219 511 H ILE 66 H ILE 66 -9.266 -3.897 -1.666 512 HA ILE 66 HA ILE 66 -8.868 -3.021 -4.442 513 HB ILE 66 HB ILE 66 -10.322 -1.440 -2.312 514 1HG1 ILE 66 1HG1 ILE 66 -11.356 -2.551 -4.927 515 2HG1 ILE 66 2HG1 ILE 66 -11.673 -3.249 -3.342 516 1HG2 ILE 66 1HG2 ILE 66 -9.650 -0.719 -5.166 517 2HG2 ILE 66 2HG2 ILE 66 -8.941 -0.009 -3.717 518 3HG2 ILE 66 3HG2 ILE 66 -10.650 0.243 -4.076 519 1HD1 ILE 66 1HD1 ILE 66 -12.838 -1.214 -2.678 520 2HD1 ILE 66 2HD1 ILE 66 -13.552 -1.922 -4.127 521 3HD1 ILE 66 3HD1 ILE 66 -12.507 -0.506 -4.258 522 H GLY 67 H GLY 67 -6.975 -2.034 -4.705 523 1HA GLY 67 1HA GLY 67 -5.381 -1.416 -2.328 524 2HA GLY 67 2HA GLY 67 -4.772 -1.600 -3.962 525 H HIS 68 H HIS 68 -4.493 0.569 -1.912 526 HA HIS 68 HA HIS 68 -5.329 2.812 -3.630 527 1HB HIS 68 1HB HIS 68 -5.311 2.953 -0.609 528 2HB HIS 68 2HB HIS 68 -5.950 4.143 -1.734 529 HD1 HIS 68 HD1 HIS 68 -8.322 3.687 -2.718 530 HD2 HIS 68 HD2 HIS 68 -6.998 0.815 -0.015 531 HE1 HIS 68 HE1 HIS 68 -10.349 2.328 -2.126 532 HE2 HIS 68 HE2 HIS 68 -9.494 0.513 -0.596 533 H ALA 69 H ALA 69 -3.714 4.246 -4.063 534 HA ALA 69 HA ALA 69 -1.084 3.682 -2.943 535 1HB ALA 69 1HB ALA 69 -0.247 5.278 -4.604 536 2HB ALA 69 2HB ALA 69 -1.907 5.638 -5.082 537 3HB ALA 69 3HB ALA 69 -1.245 4.024 -5.339 538 H PHE 70 H PHE 70 -0.236 4.721 -1.296 539 HA PHE 70 HA PHE 70 -1.187 7.448 -0.710 540 1HB PHE 70 1HB PHE 70 -0.242 5.275 1.159 541 2HB PHE 70 2HB PHE 70 -0.430 6.954 1.651 542 HD1 PHE 70 HD1 PHE 70 -2.213 3.948 0.512 543 HD2 PHE 70 HD2 PHE 70 -2.566 7.887 2.076 544 HE1 PHE 70 HE1 PHE 70 -4.589 3.539 0.987 545 HE2 PHE 70 HE2 PHE 70 -4.946 7.484 2.555 546 HZ PHE 70 HZ PHE 70 -5.956 5.309 2.012 547 H LYS 71 H LYS 71 0.295 9.034 -0.456 548 HA LYS 71 HA LYS 71 3.046 8.481 -1.145 549 1HB LYS 71 1HB LYS 71 1.394 10.909 -0.771 550 2HB LYS 71 2HB LYS 71 3.103 11.077 -0.410 551 1HG LYS 71 1HG LYS 71 2.864 11.736 -2.642 552 2HG LYS 71 2HG LYS 71 3.548 10.117 -2.706 553 1HD LYS 71 1HD LYS 71 0.585 10.447 -2.847 554 2HD LYS 71 2HD LYS 71 1.557 10.803 -4.275 555 1HE LYS 71 1HE LYS 71 2.527 8.548 -4.157 556 2HE LYS 71 2HE LYS 71 1.529 8.202 -2.745 557 1HZ LYS 71 1HZ LYS 71 0.480 8.898 -5.433 558 2HZ LYS 71 2HZ LYS 71 -0.437 8.460 -4.081 559 3HZ LYS 71 3HZ LYS 71 0.583 7.328 -4.812 560 H LYS 72 H LYS 72 4.572 7.971 0.251 561 HA LYS 72 HA LYS 72 4.109 8.518 3.113 562 1HB LYS 72 1HB LYS 72 5.759 6.284 1.912 563 2HB LYS 72 2HB LYS 72 5.348 6.498 3.606 564 1HG LYS 72 1HG LYS 72 3.294 6.031 1.461 565 2HG LYS 72 2HG LYS 72 4.057 4.730 2.373 566 1HD LYS 72 1HD LYS 72 2.487 7.003 3.588 567 2HD LYS 72 2HD LYS 72 1.842 5.394 3.265 568 1HE LYS 72 1HE LYS 72 3.687 4.490 4.729 569 2HE LYS 72 2HE LYS 72 4.028 6.156 5.190 570 1HZ LYS 72 1HZ LYS 72 1.570 4.589 5.710 571 2HZ LYS 72 2HZ LYS 72 1.614 6.276 5.860 572 3HZ LYS 72 3HZ LYS 72 2.611 5.314 6.837 573 H ALA 73 H ALA 73 6.475 8.187 4.233 574 HA ALA 73 HA ALA 73 7.907 10.507 3.505 575 1HB ALA 73 1HB ALA 73 9.463 9.901 5.246 576 2HB ALA 73 2HB ALA 73 8.835 8.253 5.277 577 3HB ALA 73 3HB ALA 73 7.815 9.598 5.793 578 H GLY 74 H GLY 74 8.662 10.457 1.436 579 1HA GLY 74 1HA GLY 74 10.287 10.152 -0.160 580 2HA GLY 74 2HA GLY 74 11.194 9.219 1.020 581 H HIS 75 H HIS 75 8.065 7.994 0.645 582 HA HIS 75 HA HIS 75 8.878 6.113 -1.428 583 1HB HIS 75 1HB HIS 75 8.354 5.358 1.436 584 2HB HIS 75 2HB HIS 75 8.168 4.196 0.125 585 HD1 HIS 75 HD1 HIS 75 10.508 4.966 2.575 586 HD2 HIS 75 HD2 HIS 75 10.809 4.426 -1.540 587 HE1 HIS 75 HE1 HIS 75 12.927 4.420 2.132 588 HE2 HIS 75 HE2 HIS 75 13.116 4.289 -0.379 589 H PHE 76 H PHE 76 7.046 4.412 -1.697 590 HA PHE 76 HA PHE 76 4.451 5.792 -1.500 591 1HB PHE 76 1HB PHE 76 5.551 4.274 -3.878 592 2HB PHE 76 2HB PHE 76 3.930 4.964 -3.771 593 HD1 PHE 76 HD1 PHE 76 6.998 5.439 -5.191 594 HD2 PHE 76 HD2 PHE 76 4.080 7.582 -2.956 595 HE1 PHE 76 HE1 PHE 76 7.873 7.558 -6.084 596 HE2 PHE 76 HE2 PHE 76 4.947 9.701 -3.848 597 HZ PHE 76 HZ PHE 76 6.845 9.692 -5.413 598 H ILE 77 H ILE 77 2.875 4.510 -0.617 599 HA ILE 77 HA ILE 77 3.372 1.610 -0.693 600 HB ILE 77 HB ILE 77 2.389 3.169 1.699 601 1HG1 ILE 77 1HG1 ILE 77 4.919 1.582 1.206 602 2HG1 ILE 77 2HG1 ILE 77 4.803 3.328 1.375 603 1HG2 ILE 77 1HG2 ILE 77 1.213 1.046 1.525 604 2HG2 ILE 77 2HG2 ILE 77 2.362 1.004 2.861 605 3HG2 ILE 77 3HG2 ILE 77 2.747 0.192 1.345 606 1HD1 ILE 77 1HD1 ILE 77 4.080 3.046 3.694 607 2HD1 ILE 77 2HD1 ILE 77 5.659 2.321 3.400 608 3HD1 ILE 77 3HD1 ILE 77 4.228 1.298 3.520 609 H VAL 78 H VAL 78 1.709 0.346 -1.188 610 HA VAL 78 HA VAL 78 -0.883 1.645 -1.685 611 HB VAL 78 HB VAL 78 0.203 -0.947 -2.804 612 1HG1 VAL 78 1HG1 VAL 78 -2.340 0.547 -3.438 613 2HG1 VAL 78 2HG1 VAL 78 -2.217 -1.004 -2.607 614 3HG1 VAL 78 3HG1 VAL 78 -1.741 -0.871 -4.300 615 1HG2 VAL 78 1HG2 VAL 78 -0.174 1.745 -4.110 616 2HG2 VAL 78 2HG2 VAL 78 0.348 0.269 -4.923 617 3HG2 VAL 78 3HG2 VAL 78 1.370 1.003 -3.686 618 H TYR 79 H TYR 79 -2.269 1.352 -0.063 619 HA TYR 79 HA TYR 79 -2.129 -1.068 1.554 620 1HB TYR 79 1HB TYR 79 -3.714 1.485 1.860 621 2HB TYR 79 2HB TYR 79 -3.814 0.128 2.967 622 HD1 TYR 79 HD1 TYR 79 -2.173 -0.179 4.679 623 HD2 TYR 79 HD2 TYR 79 -1.553 2.731 1.640 624 HE1 TYR 79 HE1 TYR 79 -0.294 0.758 5.964 625 HE2 TYR 79 HE2 TYR 79 0.332 3.660 2.905 626 HH TYR 79 HH TYR 79 1.778 2.084 5.514 627 H PHE 80 H PHE 80 -3.433 -2.727 1.242 628 HA PHE 80 HA PHE 80 -5.648 -2.464 -0.641 629 1HB PHE 80 1HB PHE 80 -4.125 -4.843 0.417 630 2HB PHE 80 2HB PHE 80 -5.580 -4.996 -0.551 631 HD1 PHE 80 HD1 PHE 80 -5.561 -4.567 -2.903 632 HD2 PHE 80 HD2 PHE 80 -2.061 -3.990 -0.556 633 HE1 PHE 80 HE1 PHE 80 -4.214 -4.425 -4.958 634 HE2 PHE 80 HE2 PHE 80 -0.706 -3.844 -2.605 635 HZ PHE 80 HZ PHE 80 -1.781 -4.063 -4.809 636 H THR 81 H THR 81 -7.610 -2.226 0.149 637 HA THR 81 HA THR 81 -8.215 -3.369 2.791 638 HB THR 81 HB THR 81 -10.138 -1.832 2.861 639 HG1 THR 81 HG1 THR 81 -10.658 -0.557 1.199 640 1HG2 THR 81 1HG2 THR 81 -8.033 -1.074 3.804 641 2HG2 THR 81 2HG2 THR 81 -8.882 0.279 3.057 642 3HG2 THR 81 3HG2 THR 81 -7.516 -0.472 2.230 643 HA PRO 82 HA PRO 82 -10.774 -6.379 0.775 644 1HB PRO 82 1HB PRO 82 -12.533 -6.970 2.737 645 2HB PRO 82 2HB PRO 82 -10.835 -7.451 2.817 646 1HG PRO 82 1HG PRO 82 -12.210 -5.129 4.118 647 2HG PRO 82 2HG PRO 82 -11.026 -6.256 4.805 648 1HD PRO 82 1HD PRO 82 -10.357 -3.778 3.925 649 2HD PRO 82 2HD PRO 82 -9.240 -5.157 3.858 650 H LYS 83 H LYS 83 -11.425 -4.081 -0.326 651 HA LYS 83 HA LYS 83 -12.995 -2.693 -1.174 652 1HB LYS 83 1HB LYS 83 -14.571 -5.168 -0.632 653 2HB LYS 83 2HB LYS 83 -15.446 -3.702 -1.047 654 1HG LYS 83 1HG LYS 83 -14.221 -3.523 -3.128 655 2HG LYS 83 2HG LYS 83 -13.263 -4.945 -2.708 656 1HD LYS 83 1HD LYS 83 -15.177 -6.360 -2.835 657 2HD LYS 83 2HD LYS 83 -16.264 -4.976 -2.968 658 1HE LYS 83 1HE LYS 83 -14.116 -5.510 -4.998 659 2HE LYS 83 2HE LYS 83 -15.703 -6.270 -5.107 660 1HZ LYS 83 1HZ LYS 83 -15.135 -3.353 -5.122 661 2HZ LYS 83 2HZ LYS 83 -16.686 -4.026 -5.110 662 3HZ LYS 83 3HZ LYS 83 -15.662 -4.289 -6.435 663 H ASN 84 H ASN 84 -12.304 -2.724 1.711 664 HA ASN 84 HA ASN 84 -14.613 -1.974 3.186 665 1HB ASN 84 1HB ASN 84 -12.403 -2.833 4.142 666 2HB ASN 84 2HB ASN 84 -11.772 -1.211 3.872 667 1HD2 ASN 84 1HD2 ASN 84 -12.198 -2.733 6.350 668 2HD2 ASN 84 2HD2 ASN 84 -13.205 -1.732 7.345 669 H LYS 85 H LYS 85 -15.721 -0.253 2.890 670 HA LYS 85 HA LYS 85 -14.424 2.253 2.016 671 1HB LYS 85 1HB LYS 85 -16.421 2.656 0.611 672 2HB LYS 85 2HB LYS 85 -15.585 1.184 0.125 673 1HG LYS 85 1HG LYS 85 -17.233 -0.041 1.644 674 2HG LYS 85 2HG LYS 85 -18.155 1.460 1.644 675 1HD LYS 85 1HD LYS 85 -18.406 1.353 -0.756 676 2HD LYS 85 2HD LYS 85 -17.362 -0.070 -0.831 677 1HE LYS 85 1HE LYS 85 -18.998 -1.239 0.660 678 2HE LYS 85 2HE LYS 85 -20.067 0.148 0.476 679 1HZ LYS 85 1HZ LYS 85 -20.602 -1.671 -1.041 680 2HZ LYS 85 2HZ LYS 85 -19.076 -1.536 -1.759 681 3HZ LYS 85 3HZ LYS 85 -20.186 -0.261 -1.879 682 H ASN 86 H ASN 86 -15.653 0.865 4.539 683 HA ASN 86 HA ASN 86 -16.997 1.296 6.304 684 1HB ASN 86 1HB ASN 86 -16.653 4.084 5.223 685 2HB ASN 86 2HB ASN 86 -17.734 3.780 6.580 686 1HD2 ASN 86 1HD2 ASN 86 -15.146 5.253 6.345 687 2HD2 ASN 86 2HD2 ASN 86 -14.137 4.574 7.573 688 H ARG 87 H ARG 87 -18.491 3.741 4.292 689 HA ARG 87 HA ARG 87 -20.398 2.477 2.869 690 1HB ARG 87 1HB ARG 87 -21.254 1.363 4.882 691 2HB ARG 87 2HB ARG 87 -21.456 2.916 5.678 692 1HG ARG 87 1HG ARG 87 -23.226 3.533 4.240 693 2HG ARG 87 2HG ARG 87 -22.891 2.196 3.138 694 1HD ARG 87 1HD ARG 87 -24.866 1.807 4.584 695 2HD ARG 87 2HD ARG 87 -23.604 0.593 4.780 696 HE ARG 87 HE ARG 87 -23.347 2.698 6.685 697 1HH1 ARG 87 1HH1 ARG 87 -25.230 -0.154 5.940 698 2HH1 ARG 87 2HH1 ARG 87 -25.545 -0.549 7.603 699 1HH2 ARG 87 1HH2 ARG 87 -23.762 2.189 8.891 700 2HH2 ARG 87 2HH2 ARG 87 -24.734 0.797 9.268 701 H GLU 88 H GLU 88 -20.149 4.924 5.372 702 HA GLU 88 HA GLU 88 -21.768 6.867 4.102 703 1HB GLU 88 1HB GLU 88 -19.551 7.504 6.032 704 2HB GLU 88 2HB GLU 88 -21.097 8.316 5.832 705 1HG GLU 88 1HG GLU 88 -20.666 5.579 7.005 706 2HG GLU 88 2HG GLU 88 -21.031 7.053 7.899 707 H GLY 89 H GLY 89 -21.144 8.717 2.943 708 1HA GLY 89 1HA GLY 89 -18.786 8.407 1.323 709 2HA GLY 89 2HA GLY 89 -19.959 9.713 1.223 710 H VAL 90 H VAL 90 -17.482 8.476 3.456 711 HA VAL 90 HA VAL 90 -16.970 11.148 4.441 712 HB VAL 90 HB VAL 90 -15.179 9.988 5.815 713 1HG1 VAL 90 1HG1 VAL 90 -17.316 10.510 6.780 714 2HG1 VAL 90 2HG1 VAL 90 -16.845 8.893 7.306 715 3HG1 VAL 90 3HG1 VAL 90 -18.050 9.091 6.034 716 1HG2 VAL 90 1HG2 VAL 90 -16.485 7.508 4.685 717 2HG2 VAL 90 2HG2 VAL 90 -15.320 7.547 6.006 718 3HG2 VAL 90 3HG2 VAL 90 -14.829 8.036 4.385 719 H VAL 91 H VAL 91 -15.883 12.469 3.170 720 HA VAL 91 HA VAL 91 -13.510 11.416 1.785 721 HB VAL 91 HB VAL 91 -13.867 13.241 0.093 722 1HG1 VAL 91 1HG1 VAL 91 -16.030 11.151 0.333 723 2HG1 VAL 91 2HG1 VAL 91 -14.437 10.924 -0.389 724 3HG1 VAL 91 3HG1 VAL 91 -15.599 12.017 -1.142 725 1HG2 VAL 91 1HG2 VAL 91 -16.556 13.434 1.448 726 2HG2 VAL 91 2HG2 VAL 91 -16.162 14.145 -0.118 727 3HG2 VAL 91 3HG2 VAL 91 -15.335 14.702 1.337 728 HA PRO 92 HA PRO 92 -11.420 14.347 4.386 729 1HB PRO 92 1HB PRO 92 -8.924 13.778 3.573 730 2HB PRO 92 2HB PRO 92 -9.853 12.656 4.576 731 1HG PRO 92 1HG PRO 92 -9.443 12.635 1.603 732 2HG PRO 92 2HG PRO 92 -9.314 11.289 2.753 733 1HD PRO 92 1HD PRO 92 -11.527 11.705 1.248 734 2HD PRO 92 2HD PRO 92 -11.601 11.016 2.882 735 HA PRO 93 HA PRO 93 -11.053 17.830 1.584 736 1HB PRO 93 1HB PRO 93 -9.824 19.480 3.417 737 2HB PRO 93 2HB PRO 93 -11.570 19.250 3.298 738 1HG PRO 93 1HG PRO 93 -9.616 17.993 5.176 739 2HG PRO 93 2HG PRO 93 -11.258 18.582 5.493 740 1HD PRO 93 1HD PRO 93 -10.721 15.964 5.203 741 2HD PRO 93 2HD PRO 93 -12.244 16.677 4.632 742 H VAL 94 H VAL 94 -9.478 18.381 0.189 743 HA VAL 94 HA VAL 94 -6.928 17.110 0.439 744 HB VAL 94 HB VAL 94 -7.898 17.247 -1.753 745 1HG1 VAL 94 1HG1 VAL 94 -9.240 19.251 -1.508 746 2HG1 VAL 94 2HG1 VAL 94 -8.222 19.361 -2.944 747 3HG1 VAL 94 3HG1 VAL 94 -7.784 20.246 -1.484 748 1HG2 VAL 94 1HG2 VAL 94 -5.477 17.277 -1.668 749 2HG2 VAL 94 2HG2 VAL 94 -5.478 19.038 -1.567 750 3HG2 VAL 94 3HG2 VAL 94 -6.052 18.238 -3.030 751 H GLY 95 H GLY 95 -5.634 17.871 1.982 752 1HA GLY 95 1HA GLY 95 -5.445 20.710 2.520 753 2HA GLY 95 2HA GLY 95 -4.644 19.423 3.404 754 H ILE 96 H ILE 96 -4.329 19.387 -0.012 755 HA ILE 96 HA ILE 96 -1.501 19.922 0.149 756 HB ILE 96 HB ILE 96 -3.249 19.529 -2.293 757 1HG1 ILE 96 1HG1 ILE 96 -3.296 17.565 -0.841 758 2HG1 ILE 96 2HG1 ILE 96 -2.371 17.224 -2.300 759 1HG2 ILE 96 1HG2 ILE 96 -1.160 19.034 -3.467 760 2HG2 ILE 96 2HG2 ILE 96 -0.250 19.404 -2.003 761 3HG2 ILE 96 3HG2 ILE 96 -1.163 20.674 -2.817 762 1HD1 ILE 96 1HD1 ILE 96 -1.302 16.280 -0.340 763 2HD1 ILE 96 2HD1 ILE 96 -1.227 17.878 0.405 764 3HD1 ILE 96 3HD1 ILE 96 -0.296 17.541 -1.054 765 H THR 97 H THR 97 -4.381 21.503 -1.094 766 HA THR 97 HA THR 97 -2.891 23.848 -1.911 767 HB THR 97 HB THR 97 -4.646 23.306 -3.406 768 HG1 THR 97 HG1 THR 97 -5.954 25.298 -1.886 769 1HG2 THR 97 1HG2 THR 97 -6.516 23.220 -1.035 770 2HG2 THR 97 2HG2 THR 97 -5.946 21.834 -1.964 771 3HG2 THR 97 3HG2 THR 97 -6.989 23.036 -2.724 772 H ASN 98 H ASN 98 -2.799 25.736 -0.825 773 HA ASN 98 HA ASN 98 -4.526 26.144 1.478 774 1HB ASN 98 1HB ASN 98 -2.471 26.926 2.807 775 2HB ASN 98 2HB ASN 98 -2.747 25.200 2.661 776 1HD2 ASN 98 1HD2 ASN 98 -1.367 27.280 0.156 777 2HD2 ASN 98 2HD2 ASN 98 0.205 26.534 0.181 Start of MODEL 3 1 H MET 1 H MET 1 -16.471 11.027 -8.107 2 HA MET 1 HA MET 1 -17.351 9.500 -6.461 3 1HB MET 1 1HB MET 1 -17.857 7.628 -7.923 4 2HB MET 1 2HB MET 1 -16.155 7.426 -8.306 5 1HG MET 1 1HG MET 1 -16.904 5.745 -6.736 6 2HG MET 1 2HG MET 1 -15.696 6.797 -6.004 7 1HE MET 1 1HE MET 1 -19.499 5.948 -6.283 8 2HE MET 1 2HE MET 1 -19.525 7.685 -6.587 9 3HE MET 1 3HE MET 1 -20.220 7.039 -5.100 10 H LYS 2 H LYS 2 -16.019 10.484 -5.086 11 HA LYS 2 HA LYS 2 -13.165 10.473 -5.437 12 1HB LYS 2 1HB LYS 2 -14.457 12.370 -4.430 13 2HB LYS 2 2HB LYS 2 -14.764 11.357 -3.028 14 1HG LYS 2 1HG LYS 2 -12.965 12.808 -2.494 15 2HG LYS 2 2HG LYS 2 -12.292 11.193 -2.706 16 1HD LYS 2 1HD LYS 2 -10.861 12.832 -3.780 17 2HD LYS 2 2HD LYS 2 -11.617 11.801 -4.998 18 1HE LYS 2 1HE LYS 2 -13.200 13.507 -5.554 19 2HE LYS 2 2HE LYS 2 -12.674 14.508 -4.201 20 1HZ LYS 2 1HZ LYS 2 -10.991 13.782 -6.545 21 2HZ LYS 2 2HZ LYS 2 -10.539 14.791 -5.260 22 3HZ LYS 2 3HZ LYS 2 -11.768 15.275 -6.320 23 H SER 3 H SER 3 -12.498 8.355 -5.357 24 HA SER 3 HA SER 3 -13.113 6.732 -3.029 25 1HB SER 3 1HB SER 3 -11.355 6.103 -5.413 26 2HB SER 3 2HB SER 3 -11.951 4.951 -4.215 27 HG SER 3 HG SER 3 -13.156 5.873 -6.448 28 H SER 4 H SER 4 -11.154 9.198 -3.414 29 HA SER 4 HA SER 4 -8.678 8.114 -2.419 30 1HB SER 4 1HB SER 4 -9.511 11.013 -2.621 31 2HB SER 4 2HB SER 4 -7.870 10.375 -2.502 32 HG SER 4 HG SER 4 -8.264 10.834 -4.650 33 H ILE 5 H ILE 5 -8.779 7.346 -0.424 34 HA ILE 5 HA ILE 5 -10.252 8.841 1.648 35 HB ILE 5 HB ILE 5 -9.545 5.896 1.537 36 1HG1 ILE 5 1HG1 ILE 5 -12.234 7.258 1.280 37 2HG1 ILE 5 2HG1 ILE 5 -11.306 6.607 -0.065 38 1HG2 ILE 5 1HG2 ILE 5 -11.196 7.397 3.565 39 2HG2 ILE 5 2HG2 ILE 5 -9.594 6.711 3.833 40 3HG2 ILE 5 3HG2 ILE 5 -10.966 5.650 3.511 41 1HD1 ILE 5 1HD1 ILE 5 -13.081 5.093 0.597 42 2HD1 ILE 5 2HD1 ILE 5 -12.427 5.024 2.235 43 3HD1 ILE 5 3HD1 ILE 5 -11.499 4.370 0.887 44 HA PRO 6 HA PRO 6 -6.344 9.771 3.517 45 1HB PRO 6 1HB PRO 6 -7.159 9.980 6.137 46 2HB PRO 6 2HB PRO 6 -7.325 11.256 4.929 47 1HG PRO 6 1HG PRO 6 -9.353 9.304 5.922 48 2HG PRO 6 2HG PRO 6 -9.552 11.014 5.497 49 1HD PRO 6 1HD PRO 6 -10.337 9.012 3.865 50 2HD PRO 6 2HD PRO 6 -9.738 10.563 3.243 51 H ILE 7 H ILE 7 -4.717 8.865 4.784 52 HA ILE 7 HA ILE 7 -4.769 6.036 4.815 53 HB ILE 7 HB ILE 7 -2.719 7.313 4.355 54 1HG1 ILE 7 1HG1 ILE 7 -1.175 5.940 5.717 55 2HG1 ILE 7 2HG1 ILE 7 -2.520 5.491 6.763 56 1HG2 ILE 7 1HG2 ILE 7 -2.783 7.989 7.287 57 2HG2 ILE 7 2HG2 ILE 7 -3.006 9.115 5.950 58 3HG2 ILE 7 3HG2 ILE 7 -1.448 8.322 6.182 59 1HD1 ILE 7 1HD1 ILE 7 -2.244 4.840 3.840 60 2HD1 ILE 7 2HD1 ILE 7 -3.617 4.411 4.862 61 3HD1 ILE 7 3HD1 ILE 7 -2.024 3.725 5.190 62 H THR 8 H THR 8 -5.428 8.432 7.247 63 HA THR 8 HA THR 8 -5.008 6.878 9.545 64 HB THR 8 HB THR 8 -5.408 9.316 9.625 65 HG1 THR 8 HG1 THR 8 -7.511 8.405 11.191 66 1HG2 THR 8 1HG2 THR 8 -7.199 9.471 7.968 67 2HG2 THR 8 2HG2 THR 8 -7.694 10.192 9.499 68 3HG2 THR 8 3HG2 THR 8 -8.282 8.592 9.046 69 H GLU 9 H GLU 9 -7.463 6.730 7.133 70 HA GLU 9 HA GLU 9 -9.150 5.011 8.791 71 1HB GLU 9 1HB GLU 9 -9.564 6.088 5.992 72 2HB GLU 9 2HB GLU 9 -10.720 5.100 6.872 73 1HG GLU 9 1HG GLU 9 -9.751 7.814 7.737 74 2HG GLU 9 2HG GLU 9 -11.275 7.494 6.910 75 H VAL 10 H VAL 10 -7.390 4.994 5.710 76 HA VAL 10 HA VAL 10 -8.148 2.354 5.026 77 HB VAL 10 HB VAL 10 -5.889 4.048 3.959 78 1HG1 VAL 10 1HG1 VAL 10 -5.488 1.685 3.503 79 2HG1 VAL 10 2HG1 VAL 10 -5.912 2.546 2.023 80 3HG1 VAL 10 3HG1 VAL 10 -7.111 1.531 2.826 81 1HG2 VAL 10 1HG2 VAL 10 -8.038 5.081 3.607 82 2HG2 VAL 10 2HG2 VAL 10 -8.704 3.569 2.991 83 3HG2 VAL 10 3HG2 VAL 10 -7.462 4.421 2.076 84 H LEU 11 H LEU 11 -5.319 3.662 6.692 85 HA LEU 11 HA LEU 11 -3.638 1.459 6.511 86 1HB LEU 11 1HB LEU 11 -2.646 3.388 7.303 87 2HB LEU 11 2HB LEU 11 -3.917 3.699 8.465 88 HG LEU 11 HG LEU 11 -3.084 1.849 9.858 89 1HD1 LEU 11 1HD1 LEU 11 -0.899 0.861 9.384 90 2HD1 LEU 11 2HD1 LEU 11 -0.856 1.707 7.836 91 3HD1 LEU 11 3HD1 LEU 11 -2.078 0.470 8.132 92 1HD2 LEU 11 1HD2 LEU 11 -1.031 2.977 10.607 93 2HD2 LEU 11 2HD2 LEU 11 -2.352 4.106 10.303 94 3HD2 LEU 11 3HD2 LEU 11 -1.043 3.944 9.131 95 HA PRO 12 HA PRO 12 -5.290 -0.337 10.671 96 1HB PRO 12 1HB PRO 12 -7.670 0.636 11.615 97 2HB PRO 12 2HB PRO 12 -6.086 1.219 12.137 98 1HG PRO 12 1HG PRO 12 -7.960 2.382 10.118 99 2HG PRO 12 2HG PRO 12 -7.005 3.202 11.366 100 1HD PRO 12 1HD PRO 12 -6.237 3.162 8.791 101 2HD PRO 12 2HD PRO 12 -5.063 3.108 10.122 102 H ARG 13 H ARG 13 -7.570 0.650 8.165 103 HA ARG 13 HA ARG 13 -9.159 -1.756 8.573 104 1HB ARG 13 1HB ARG 13 -9.455 0.427 6.513 105 2HB ARG 13 2HB ARG 13 -10.617 -0.833 6.869 106 1HG ARG 13 1HG ARG 13 -10.914 0.083 9.123 107 2HG ARG 13 2HG ARG 13 -9.770 1.371 8.728 108 1HD ARG 13 1HD ARG 13 -11.291 1.892 6.759 109 2HD ARG 13 2HD ARG 13 -12.475 0.847 7.538 110 HE ARG 13 HE ARG 13 -11.358 3.195 8.929 111 1HH1 ARG 13 1HH1 ARG 13 -14.051 1.202 7.963 112 2HH1 ARG 13 2HH1 ARG 13 -15.264 2.337 8.486 113 1HH2 ARG 13 1HH2 ARG 13 -12.932 4.712 9.632 114 2HH2 ARG 13 2HH2 ARG 13 -14.616 4.329 9.459 115 H ALA 14 H ALA 14 -6.295 -1.264 7.157 116 HA ALA 14 HA ALA 14 -6.823 -2.519 4.601 117 1HB ALA 14 1HB ALA 14 -4.456 -2.253 4.168 118 2HB ALA 14 2HB ALA 14 -4.170 -1.808 5.849 119 3HB ALA 14 3HB ALA 14 -5.118 -0.748 4.808 120 H VAL 15 H VAL 15 -6.127 -4.513 3.947 121 HA VAL 15 HA VAL 15 -5.358 -6.375 6.099 122 HB VAL 15 HB VAL 15 -6.395 -8.166 4.681 123 1HG1 VAL 15 1HG1 VAL 15 -8.705 -7.627 5.291 124 2HG1 VAL 15 2HG1 VAL 15 -8.239 -5.948 5.570 125 3HG1 VAL 15 3HG1 VAL 15 -7.584 -7.228 6.594 126 1HG2 VAL 15 1HG2 VAL 15 -7.488 -5.816 3.136 127 2HG2 VAL 15 2HG2 VAL 15 -7.981 -7.496 2.938 128 3HG2 VAL 15 3HG2 VAL 15 -6.335 -7.007 2.535 129 H GLY 16 H GLY 16 -4.178 -4.754 3.527 130 1HA GLY 16 1HA GLY 16 -1.881 -6.490 3.343 131 2HA GLY 16 2HA GLY 16 -2.806 -6.370 1.851 132 H SER 17 H SER 17 -0.119 -5.498 2.138 133 HA SER 17 HA SER 17 -0.469 -2.733 1.346 134 1HB SER 17 1HB SER 17 1.407 -2.014 2.896 135 2HB SER 17 2HB SER 17 -0.130 -2.376 3.681 136 HG SER 17 HG SER 17 2.308 -3.674 3.851 137 H LEU 18 H LEU 18 0.856 -2.194 -0.253 138 HA LEU 18 HA LEU 18 3.178 -3.922 -0.795 139 1HB LEU 18 1HB LEU 18 1.216 -2.564 -2.551 140 2HB LEU 18 2HB LEU 18 2.881 -2.571 -3.093 141 HG LEU 18 HG LEU 18 1.320 -5.053 -2.388 142 1HD1 LEU 18 1HD1 LEU 18 1.993 -3.882 -5.083 143 2HD1 LEU 18 2HD1 LEU 18 0.385 -3.966 -4.362 144 3HD1 LEU 18 3HD1 LEU 18 1.237 -5.449 -4.799 145 1HD2 LEU 18 1HD2 LEU 18 3.741 -5.262 -2.104 146 2HD2 LEU 18 2HD2 LEU 18 3.984 -4.676 -3.752 147 3HD2 LEU 18 3HD2 LEU 18 3.168 -6.214 -3.474 148 H THR 19 H THR 19 5.068 -3.063 -0.376 149 HA THR 19 HA THR 19 5.273 -0.181 0.031 150 HB THR 19 HB THR 19 7.388 -2.273 0.569 151 HG1 THR 19 HG1 THR 19 6.225 -2.871 2.227 152 1HG2 THR 19 1HG2 THR 19 6.945 0.510 1.660 153 2HG2 THR 19 2HG2 THR 19 8.205 0.022 0.526 154 3HG2 THR 19 3HG2 THR 19 8.215 -0.599 2.176 155 H PHE 20 H PHE 20 5.796 0.977 -1.716 156 HA PHE 20 HA PHE 20 7.827 -0.092 -3.567 157 1HB PHE 20 1HB PHE 20 5.570 1.871 -3.991 158 2HB PHE 20 2HB PHE 20 6.921 1.759 -5.108 159 HD1 PHE 20 HD1 PHE 20 6.796 0.339 -6.887 160 HD2 PHE 20 HD2 PHE 20 4.283 -0.343 -3.527 161 HE1 PHE 20 HE1 PHE 20 5.639 -1.444 -8.123 162 HE2 PHE 20 HE2 PHE 20 3.119 -2.128 -4.761 163 HZ PHE 20 HZ PHE 20 3.797 -2.673 -7.053 164 H ASP 21 H ASP 21 9.482 1.273 -4.245 165 HA ASP 21 HA ASP 21 10.184 3.427 -2.425 166 1HB ASP 21 1HB ASP 21 11.933 1.866 -3.050 167 2HB ASP 21 2HB ASP 21 11.633 2.147 -4.758 168 H GLU 22 H GLU 22 11.089 5.509 -3.496 169 HA GLU 22 HA GLU 22 9.032 6.723 -4.981 170 1HB GLU 22 1HB GLU 22 10.601 8.617 -5.225 171 2HB GLU 22 2HB GLU 22 10.460 8.055 -3.568 172 1HG GLU 22 1HG GLU 22 12.579 7.063 -3.608 173 2HG GLU 22 2HG GLU 22 12.676 7.146 -5.368 174 H ASN 23 H ASN 23 11.867 4.964 -5.937 175 HA ASN 23 HA ASN 23 11.723 5.802 -8.699 176 1HB ASN 23 1HB ASN 23 13.324 3.633 -7.329 177 2HB ASN 23 2HB ASN 23 13.473 4.059 -9.027 178 1HD2 ASN 23 1HD2 ASN 23 14.130 4.998 -5.767 179 2HD2 ASN 23 2HD2 ASN 23 15.196 6.318 -6.144 180 H TYR 24 H TYR 24 9.655 4.162 -6.996 181 HA TYR 24 HA TYR 24 7.916 2.816 -7.468 182 1HB TYR 24 1HB TYR 24 8.874 2.952 -10.333 183 2HB TYR 24 2HB TYR 24 7.267 2.481 -9.785 184 HD1 TYR 24 HD1 TYR 24 9.342 5.184 -10.800 185 HD2 TYR 24 HD2 TYR 24 5.913 4.239 -8.462 186 HE1 TYR 24 HE1 TYR 24 8.665 7.545 -10.856 187 HE2 TYR 24 HE2 TYR 24 5.228 6.600 -8.512 188 HH TYR 24 HH TYR 24 6.374 8.847 -8.812 189 H ASN 25 H ASN 25 10.577 1.718 -6.840 190 HA ASN 25 HA ASN 25 10.416 -0.937 -8.050 191 1HB ASN 25 1HB ASN 25 12.389 0.252 -6.086 192 2HB ASN 25 2HB ASN 25 12.429 -1.424 -6.616 193 1HD2 ASN 25 1HD2 ASN 25 13.179 1.822 -7.385 194 2HD2 ASN 25 2HD2 ASN 25 13.962 1.520 -8.899 195 H LEU 26 H LEU 26 9.364 -2.572 -7.098 196 HA LEU 26 HA LEU 26 8.006 -2.347 -4.662 197 1HB LEU 26 1HB LEU 26 7.358 -3.958 -6.356 198 2HB LEU 26 2HB LEU 26 8.886 -4.798 -6.189 199 HG LEU 26 HG LEU 26 8.298 -5.542 -3.964 200 1HD1 LEU 26 1HD1 LEU 26 7.060 -3.597 -3.216 201 2HD1 LEU 26 2HD1 LEU 26 6.092 -5.058 -3.011 202 3HD1 LEU 26 3HD1 LEU 26 5.762 -3.963 -4.353 203 1HD2 LEU 26 1HD2 LEU 26 7.548 -6.917 -5.819 204 2HD2 LEU 26 2HD2 LEU 26 6.059 -5.978 -5.936 205 3HD2 LEU 26 3HD2 LEU 26 6.369 -6.964 -4.506 206 H LEU 27 H LEU 27 8.742 -2.323 -2.683 207 HA LEU 27 HA LEU 27 11.440 -3.306 -2.122 208 1HB LEU 27 1HB LEU 27 9.599 -1.627 -0.421 209 2HB LEU 27 2HB LEU 27 11.269 -2.014 -0.057 210 HG LEU 27 HG LEU 27 10.349 -0.349 -2.402 211 1HD1 LEU 27 1HD1 LEU 27 9.959 0.773 -0.275 212 2HD1 LEU 27 2HD1 LEU 27 11.279 1.535 -1.160 213 3HD1 LEU 27 3HD1 LEU 27 11.632 0.470 0.201 214 1HD2 LEU 27 1HD2 LEU 27 12.734 0.185 -2.635 215 2HD2 LEU 27 2HD2 LEU 27 12.422 -1.536 -2.856 216 3HD2 LEU 27 3HD2 LEU 27 13.108 -0.952 -1.340 217 H ASP 28 H ASP 28 8.112 -3.530 -0.960 218 HA ASP 28 HA ASP 28 8.686 -6.097 0.279 219 1HB ASP 28 1HB ASP 28 9.218 -4.721 2.122 220 2HB ASP 28 2HB ASP 28 7.888 -3.620 1.785 221 H THR 29 H THR 29 6.889 -7.379 0.605 222 HA THR 29 HA THR 29 4.291 -6.267 -0.229 223 HB THR 29 HB THR 29 5.292 -9.056 -0.833 224 HG1 THR 29 HG1 THR 29 5.899 -6.761 -2.035 225 1HG2 THR 29 1HG2 THR 29 3.345 -9.126 -2.339 226 2HG2 THR 29 2HG2 THR 29 2.858 -7.531 -1.765 227 3HG2 THR 29 3HG2 THR 29 2.873 -8.903 -0.656 228 H SER 30 H SER 30 2.892 -6.376 1.432 229 HA SER 30 HA SER 30 3.119 -8.653 3.280 230 1HB SER 30 1HB SER 30 2.678 -5.755 4.030 231 2HB SER 30 2HB SER 30 2.579 -7.113 5.152 232 HG SER 30 HG SER 30 4.868 -6.276 3.672 233 H GLY 31 H GLY 31 1.205 -9.283 4.345 234 1HA GLY 31 1HA GLY 31 -1.058 -9.510 4.692 235 2HA GLY 31 2HA GLY 31 -1.289 -7.955 3.907 236 H VAL 32 H VAL 32 -3.097 -8.666 2.802 237 HA VAL 32 HA VAL 32 -3.221 -10.983 1.206 238 HB VAL 32 HB VAL 32 -4.785 -8.413 0.886 239 1HG1 VAL 32 1HG1 VAL 32 -5.383 -11.213 -0.057 240 2HG1 VAL 32 2HG1 VAL 32 -4.964 -9.836 -1.075 241 3HG1 VAL 32 3HG1 VAL 32 -6.479 -9.837 -0.172 242 1HG2 VAL 32 1HG2 VAL 32 -5.008 -9.274 3.131 243 2HG2 VAL 32 2HG2 VAL 32 -5.361 -10.886 2.509 244 3HG2 VAL 32 3HG2 VAL 32 -6.498 -9.567 2.234 245 H ALA 33 H ALA 33 -1.671 -7.976 0.693 246 HA ALA 33 HA ALA 33 -1.730 -7.795 -2.107 247 1HB ALA 33 1HB ALA 33 0.448 -6.895 -0.223 248 2HB ALA 33 2HB ALA 33 -0.991 -5.969 -0.650 249 3HB ALA 33 3HB ALA 33 0.211 -6.349 -1.882 250 H LYS 34 H LYS 34 -0.188 -10.040 -0.052 251 HA LYS 34 HA LYS 34 2.011 -10.682 -1.742 252 1HB LYS 34 1HB LYS 34 0.706 -12.236 0.496 253 2HB LYS 34 2HB LYS 34 2.200 -12.693 -0.303 254 1HG LYS 34 1HG LYS 34 3.190 -10.535 0.428 255 2HG LYS 34 2HG LYS 34 1.719 -10.231 1.351 256 1HD LYS 34 1HD LYS 34 3.503 -12.632 1.722 257 2HD LYS 34 2HD LYS 34 3.581 -11.171 2.704 258 1HE LYS 34 1HE LYS 34 1.275 -11.528 3.428 259 2HE LYS 34 2HE LYS 34 1.180 -12.977 2.427 260 1HZ LYS 34 1HZ LYS 34 2.860 -14.017 3.761 261 2HZ LYS 34 2HZ LYS 34 1.628 -13.455 4.785 262 3HZ LYS 34 3HZ LYS 34 3.091 -12.605 4.671 263 H VAL 35 H VAL 35 -1.254 -12.009 -1.292 264 HA VAL 35 HA VAL 35 -0.766 -14.016 -3.329 265 HB VAL 35 HB VAL 35 -3.130 -14.690 -2.956 266 1HG1 VAL 35 1HG1 VAL 35 -1.448 -14.488 -0.461 267 2HG1 VAL 35 2HG1 VAL 35 -1.308 -15.728 -1.709 268 3HG1 VAL 35 3HG1 VAL 35 -2.773 -15.623 -0.730 269 1HG2 VAL 35 1HG2 VAL 35 -4.074 -12.558 -2.294 270 2HG2 VAL 35 2HG2 VAL 35 -3.066 -12.531 -0.848 271 3HG2 VAL 35 3HG2 VAL 35 -4.331 -13.749 -1.019 272 H ILE 36 H ILE 36 -2.124 -10.850 -3.090 273 HA ILE 36 HA ILE 36 -3.617 -10.865 -5.495 274 HB ILE 36 HB ILE 36 -2.383 -8.663 -3.856 275 1HG1 ILE 36 1HG1 ILE 36 -5.275 -9.290 -4.474 276 2HG1 ILE 36 2HG1 ILE 36 -4.425 -9.922 -3.070 277 1HG2 ILE 36 1HG2 ILE 36 -2.309 -7.903 -6.168 278 2HG2 ILE 36 2HG2 ILE 36 -3.542 -7.026 -5.260 279 3HG2 ILE 36 3HG2 ILE 36 -4.012 -8.314 -6.369 280 1HD1 ILE 36 1HD1 ILE 36 -5.759 -8.002 -2.471 281 2HD1 ILE 36 2HD1 ILE 36 -4.936 -7.023 -3.686 282 3HD1 ILE 36 3HD1 ILE 36 -4.042 -7.633 -2.293 283 H GLU 37 H GLU 37 -3.059 -10.319 -7.561 284 HA GLU 37 HA GLU 37 -0.449 -11.041 -8.394 285 1HB GLU 37 1HB GLU 37 -1.252 -10.425 -10.660 286 2HB GLU 37 2HB GLU 37 -2.347 -11.508 -9.810 287 1HG GLU 37 1HG GLU 37 -3.740 -9.551 -9.209 288 2HG GLU 37 2HG GLU 37 -2.676 -8.538 -10.183 289 H LYS 38 H LYS 38 1.295 -9.869 -8.922 290 HA LYS 38 HA LYS 38 1.253 -7.028 -8.403 291 1HB LYS 38 1HB LYS 38 3.423 -8.974 -9.104 292 2HB LYS 38 2HB LYS 38 3.711 -7.247 -9.228 293 1HG LYS 38 1HG LYS 38 4.510 -8.121 -7.109 294 2HG LYS 38 2HG LYS 38 3.188 -6.982 -6.860 295 1HD LYS 38 1HD LYS 38 1.655 -8.717 -6.399 296 2HD LYS 38 2HD LYS 38 2.764 -9.950 -6.992 297 1HE LYS 38 1HE LYS 38 4.300 -9.397 -5.129 298 2HE LYS 38 2HE LYS 38 3.096 -8.263 -4.519 299 1HZ LYS 38 1HZ LYS 38 2.569 -11.151 -4.931 300 2HZ LYS 38 2HZ LYS 38 1.582 -10.032 -4.126 301 3HZ LYS 38 3HZ LYS 38 3.068 -10.498 -3.453 302 H SER 39 H SER 39 -0.134 -6.300 -9.995 303 HA SER 39 HA SER 39 0.682 -6.504 -12.776 304 1HB SER 39 1HB SER 39 -1.624 -5.029 -11.461 305 2HB SER 39 2HB SER 39 -1.398 -5.240 -13.201 306 HG SER 39 HG SER 39 -2.826 -6.798 -12.046 307 HA PRO 40 HA PRO 40 2.695 -2.507 -13.089 308 1HB PRO 40 1HB PRO 40 0.597 -1.390 -14.854 309 2HB PRO 40 2HB PRO 40 2.323 -1.606 -15.155 310 1HG PRO 40 1HG PRO 40 0.526 -3.176 -16.336 311 2HG PRO 40 2HG PRO 40 2.075 -3.826 -15.764 312 1HD PRO 40 1HD PRO 40 -0.637 -4.011 -14.506 313 2HD PRO 40 2HD PRO 40 0.618 -5.257 -14.663 314 H ILE 41 H ILE 41 1.490 -2.491 -10.783 315 HA ILE 41 HA ILE 41 -0.490 -0.459 -10.428 316 HB ILE 41 HB ILE 41 1.324 -1.770 -8.394 317 1HG1 ILE 41 1HG1 ILE 41 -1.532 -2.394 -9.175 318 2HG1 ILE 41 2HG1 ILE 41 -0.125 -3.361 -9.597 319 1HG2 ILE 41 1HG2 ILE 41 -1.169 -0.113 -8.036 320 2HG2 ILE 41 2HG2 ILE 41 0.467 0.309 -7.529 321 3HG2 ILE 41 3HG2 ILE 41 -0.380 -1.030 -6.755 322 1HD1 ILE 41 1HD1 ILE 41 -1.162 -2.860 -6.821 323 2HD1 ILE 41 2HD1 ILE 41 0.275 -3.800 -7.224 324 3HD1 ILE 41 3HD1 ILE 41 -1.319 -4.352 -7.749 325 H ALA 42 H ALA 42 3.006 -0.618 -10.321 326 HA ALA 42 HA ALA 42 3.583 1.798 -9.048 327 1HB ALA 42 1HB ALA 42 5.298 0.161 -9.554 328 2HB ALA 42 2HB ALA 42 5.725 1.722 -10.252 329 3HB ALA 42 3HB ALA 42 5.089 0.442 -11.282 330 H GLU 43 H GLU 43 2.647 1.126 -12.351 331 HA GLU 43 HA GLU 43 3.093 3.675 -13.468 332 1HB GLU 43 1HB GLU 43 2.597 1.557 -14.729 333 2HB GLU 43 2HB GLU 43 0.927 1.690 -14.198 334 1HG GLU 43 1HG GLU 43 1.039 2.525 -16.405 335 2HG GLU 43 2HG GLU 43 0.829 3.908 -15.332 336 H ILE 44 H ILE 44 0.377 2.269 -11.716 337 HA ILE 44 HA ILE 44 -1.267 4.607 -12.053 338 HB ILE 44 HB ILE 44 -1.725 2.417 -10.028 339 1HG1 ILE 44 1HG1 ILE 44 -1.348 1.380 -12.235 340 2HG1 ILE 44 2HG1 ILE 44 -3.030 1.231 -11.738 341 1HG2 ILE 44 1HG2 ILE 44 -3.608 4.249 -11.518 342 2HG2 ILE 44 2HG2 ILE 44 -3.123 4.414 -9.829 343 3HG2 ILE 44 3HG2 ILE 44 -4.078 3.023 -10.343 344 1HD1 ILE 44 1HD1 ILE 44 -2.826 1.779 -14.103 345 2HD1 ILE 44 2HD1 ILE 44 -1.950 3.254 -13.688 346 3HD1 ILE 44 3HD1 ILE 44 -3.637 3.064 -13.211 347 H ILE 45 H ILE 45 1.046 3.402 -9.741 348 HA ILE 45 HA ILE 45 0.367 4.993 -7.528 349 HB ILE 45 HB ILE 45 3.056 3.877 -8.360 350 1HG1 ILE 45 1HG1 ILE 45 1.055 3.004 -6.262 351 2HG1 ILE 45 2HG1 ILE 45 1.342 2.206 -7.806 352 1HG2 ILE 45 1HG2 ILE 45 2.280 5.168 -5.747 353 2HG2 ILE 45 2HG2 ILE 45 3.381 5.840 -6.950 354 3HG2 ILE 45 3HG2 ILE 45 3.810 4.363 -6.089 355 1HD1 ILE 45 1HD1 ILE 45 3.609 1.668 -7.123 356 2HD1 ILE 45 2HD1 ILE 45 2.435 1.045 -5.961 357 3HD1 ILE 45 3HD1 ILE 45 3.355 2.503 -5.590 358 H ARG 46 H ARG 46 2.616 5.575 -10.214 359 HA ARG 46 HA ARG 46 3.421 8.136 -9.342 360 1HB ARG 46 1HB ARG 46 4.186 8.418 -11.709 361 2HB ARG 46 2HB ARG 46 4.810 6.993 -10.899 362 1HG ARG 46 1HG ARG 46 2.917 5.734 -12.037 363 2HG ARG 46 2HG ARG 46 2.723 7.171 -13.039 364 1HD ARG 46 1HD ARG 46 5.205 5.485 -12.767 365 2HD ARG 46 2HD ARG 46 4.127 5.548 -14.157 366 HE ARG 46 HE ARG 46 5.576 7.962 -13.289 367 1HH1 ARG 46 1HH1 ARG 46 4.761 5.592 -15.748 368 2HH1 ARG 46 2HH1 ARG 46 5.761 6.341 -16.966 369 1HH2 ARG 46 1HH2 ARG 46 6.881 8.945 -14.903 370 2HH2 ARG 46 2HH2 ARG 46 6.953 8.232 -16.490 371 H LYS 47 H LYS 47 0.899 7.060 -11.591 372 HA LYS 47 HA LYS 47 -0.006 9.593 -12.376 373 1HB LYS 47 1HB LYS 47 -1.531 7.000 -12.073 374 2HB LYS 47 2HB LYS 47 -2.176 8.437 -12.853 375 1HG LYS 47 1HG LYS 47 -0.391 8.339 -14.514 376 2HG LYS 47 2HG LYS 47 0.254 6.896 -13.730 377 1HD LYS 47 1HD LYS 47 -1.783 5.680 -14.225 378 2HD LYS 47 2HD LYS 47 -2.506 7.130 -14.927 379 1HE LYS 47 1HE LYS 47 -0.693 7.167 -16.608 380 2HE LYS 47 2HE LYS 47 -0.077 5.660 -15.938 381 1HZ LYS 47 1HZ LYS 47 -2.049 4.526 -16.597 382 2HZ LYS 47 2HZ LYS 47 -1.493 5.401 -17.941 383 3HZ LYS 47 3HZ LYS 47 -2.814 5.975 -17.043 384 H SER 48 H SER 48 -1.032 7.523 -9.685 385 HA SER 48 HA SER 48 -2.980 9.293 -8.665 386 1HB SER 48 1HB SER 48 -1.415 7.175 -7.175 387 2HB SER 48 2HB SER 48 -2.949 7.887 -6.684 388 HG SER 48 HG SER 48 -2.456 6.256 -8.953 389 H ASN 49 H ASN 49 0.478 9.095 -8.328 390 HA ASN 49 HA ASN 49 0.786 10.590 -5.962 391 1HB ASN 49 1HB ASN 49 2.661 9.356 -6.844 392 2HB ASN 49 2HB ASN 49 2.615 10.264 -8.353 393 1HD2 ASN 49 1HD2 ASN 49 3.608 12.227 -8.472 394 2HD2 ASN 49 2HD2 ASN 49 4.535 12.913 -7.177 395 H ALA 50 H ALA 50 0.418 11.507 -9.332 396 HA ALA 50 HA ALA 50 0.712 14.325 -8.793 397 1HB ALA 50 1HB ALA 50 -0.325 12.923 -11.257 398 2HB ALA 50 2HB ALA 50 1.352 13.379 -10.957 399 3HB ALA 50 3HB ALA 50 0.120 14.626 -11.138 400 H GLU 51 H GLU 51 -1.862 12.020 -8.808 401 HA GLU 51 HA GLU 51 -4.004 13.890 -9.178 402 1HB GLU 51 1HB GLU 51 -4.020 11.059 -8.130 403 2HB GLU 51 2HB GLU 51 -5.454 11.990 -8.533 404 1HG GLU 51 1HG GLU 51 -3.290 11.188 -10.464 405 2HG GLU 51 2HG GLU 51 -4.855 10.395 -10.282 406 H LEU 52 H LEU 52 -2.333 12.534 -6.405 407 HA LEU 52 HA LEU 52 -3.992 14.167 -4.639 408 1HB LEU 52 1HB LEU 52 -4.241 12.233 -3.080 409 2HB LEU 52 2HB LEU 52 -5.153 12.105 -4.573 410 HG LEU 52 HG LEU 52 -3.308 10.622 -5.450 411 1HD1 LEU 52 1HD1 LEU 52 -1.562 11.255 -3.846 412 2HD1 LEU 52 2HD1 LEU 52 -1.865 9.517 -3.853 413 3HD1 LEU 52 3HD1 LEU 52 -2.504 10.520 -2.548 414 1HD2 LEU 52 1HD2 LEU 52 -4.169 8.677 -4.345 415 2HD2 LEU 52 2HD2 LEU 52 -5.476 9.832 -4.621 416 3HD2 LEU 52 3HD2 LEU 52 -4.773 9.663 -3.013 417 H GLY 53 H GLY 53 -3.180 13.629 -2.243 418 1HA GLY 53 1HA GLY 53 -0.231 13.610 -2.272 419 2HA GLY 53 2HA GLY 53 -1.170 14.612 -1.172 420 H ARG 54 H ARG 54 -2.279 13.629 0.566 421 HA ARG 54 HA ARG 54 -0.989 11.168 1.455 422 1HB ARG 54 1HB ARG 54 -1.107 13.240 2.887 423 2HB ARG 54 2HB ARG 54 -2.840 12.977 3.009 424 1HG ARG 54 1HG ARG 54 -1.958 10.565 3.791 425 2HG ARG 54 2HG ARG 54 -0.608 11.573 4.322 426 1HD ARG 54 1HD ARG 54 -3.515 11.956 5.015 427 2HD ARG 54 2HD ARG 54 -2.256 11.348 6.092 428 HE ARG 54 HE ARG 54 -1.223 13.699 5.483 429 1HH1 ARG 54 1HH1 ARG 54 -4.505 12.848 6.365 430 2HH1 ARG 54 2HH1 ARG 54 -4.888 14.426 6.981 431 1HH2 ARG 54 1HH2 ARG 54 -1.735 15.789 6.259 432 2HH2 ARG 54 2HH2 ARG 54 -3.320 16.101 6.901 433 H LEU 55 H LEU 55 -3.650 11.791 -0.281 434 HA LEU 55 HA LEU 55 -5.519 10.072 1.099 435 1HB LEU 55 1HB LEU 55 -5.654 11.346 -1.635 436 2HB LEU 55 2HB LEU 55 -6.929 10.356 -0.949 437 HG LEU 55 HG LEU 55 -7.612 12.590 -0.660 438 1HD1 LEU 55 1HD1 LEU 55 -7.990 11.212 1.295 439 2HD1 LEU 55 2HD1 LEU 55 -7.683 12.886 1.762 440 3HD1 LEU 55 3HD1 LEU 55 -6.415 11.673 1.944 441 1HD2 LEU 55 1HD2 LEU 55 -4.896 13.193 0.501 442 2HD2 LEU 55 2HD2 LEU 55 -6.246 14.323 0.393 443 3HD2 LEU 55 3HD2 LEU 55 -5.494 13.704 -1.078 444 H GLY 56 H GLY 56 -6.491 8.191 -0.035 445 1HA GLY 56 1HA GLY 56 -4.383 6.701 -1.466 446 2HA GLY 56 2HA GLY 56 -5.551 5.965 -0.380 447 H TYR 57 H TYR 57 -4.964 7.214 -3.536 448 HA TYR 57 HA TYR 57 -7.598 6.924 -4.573 449 1HB TYR 57 1HB TYR 57 -5.960 8.366 -5.662 450 2HB TYR 57 2HB TYR 57 -4.897 6.997 -5.945 451 HD1 TYR 57 HD1 TYR 57 -8.139 8.508 -6.884 452 HD2 TYR 57 HD2 TYR 57 -5.151 5.642 -7.845 453 HE1 TYR 57 HE1 TYR 57 -9.190 8.149 -9.085 454 HE2 TYR 57 HE2 TYR 57 -6.182 5.280 -10.039 455 HH TYR 57 HH TYR 57 -8.294 5.527 -11.134 456 H SER 58 H SER 58 -8.574 5.165 -5.477 457 HA SER 58 HA SER 58 -7.530 2.587 -4.946 458 1HB SER 58 1HB SER 58 -9.801 3.350 -6.799 459 2HB SER 58 2HB SER 58 -9.511 1.760 -6.090 460 HG SER 58 HG SER 58 -11.104 3.174 -5.013 461 H VAL 59 H VAL 59 -5.805 1.859 -5.972 462 HA VAL 59 HA VAL 59 -5.362 2.585 -8.769 463 HB VAL 59 HB VAL 59 -3.086 1.687 -8.448 464 1HG1 VAL 59 1HG1 VAL 59 -3.603 4.046 -7.973 465 2HG1 VAL 59 2HG1 VAL 59 -2.285 3.433 -6.975 466 3HG1 VAL 59 3HG1 VAL 59 -3.897 3.624 -6.285 467 1HG2 VAL 59 1HG2 VAL 59 -3.963 1.217 -5.598 468 2HG2 VAL 59 2HG2 VAL 59 -2.315 1.061 -6.209 469 3HG2 VAL 59 3HG2 VAL 59 -3.576 -0.032 -6.782 470 H TYR 60 H TYR 60 -5.945 -0.175 -6.714 471 HA TYR 60 HA TYR 60 -6.325 -1.812 -9.122 472 1HB TYR 60 1HB TYR 60 -4.165 -2.447 -8.149 473 2HB TYR 60 2HB TYR 60 -4.925 -2.683 -6.579 474 HD1 TYR 60 HD1 TYR 60 -4.506 -4.060 -9.954 475 HD2 TYR 60 HD2 TYR 60 -6.226 -4.669 -6.111 476 HE1 TYR 60 HE1 TYR 60 -4.937 -6.414 -10.528 477 HE2 TYR 60 HE2 TYR 60 -6.660 -7.023 -6.673 478 HH TYR 60 HH TYR 60 -6.997 -8.384 -8.771 479 H GLU 61 H GLU 61 -8.495 -2.101 -9.128 480 HA GLU 61 HA GLU 61 -9.751 -2.767 -6.561 481 1HB GLU 61 1HB GLU 61 -10.796 -0.880 -7.727 482 2HB GLU 61 2HB GLU 61 -11.074 -1.895 -9.137 483 1HG GLU 61 1HG GLU 61 -12.399 -3.404 -7.570 484 2HG GLU 61 2HG GLU 61 -12.342 -2.066 -6.424 485 H ASP 62 H ASP 62 -10.125 -4.789 -6.182 486 HA ASP 62 HA ASP 62 -10.737 -6.584 -8.427 487 1HB ASP 62 1HB ASP 62 -8.601 -7.177 -7.358 488 2HB ASP 62 2HB ASP 62 -9.390 -7.228 -5.786 489 H ALA 63 H ALA 63 -12.255 -8.351 -7.777 490 HA ALA 63 HA ALA 63 -14.546 -7.253 -6.571 491 1HB ALA 63 1HB ALA 63 -13.959 -10.160 -7.110 492 2HB ALA 63 2HB ALA 63 -14.600 -9.016 -8.289 493 3HB ALA 63 3HB ALA 63 -15.549 -9.435 -6.862 494 H GLN 64 H GLN 64 -11.810 -8.799 -5.222 495 HA GLN 64 HA GLN 64 -13.231 -9.433 -2.739 496 1HB GLN 64 1HB GLN 64 -10.318 -9.891 -3.366 497 2HB GLN 64 2HB GLN 64 -11.269 -10.642 -2.095 498 1HG GLN 64 1HG GLN 64 -12.417 -12.009 -3.602 499 2HG GLN 64 2HG GLN 64 -11.927 -11.038 -4.992 500 1HE2 GLN 64 1HE2 GLN 64 -9.756 -11.122 -5.673 501 2HE2 GLN 64 2HE2 GLN 64 -8.778 -12.524 -5.351 502 H TYR 65 H TYR 65 -10.462 -7.484 -3.880 503 HA TYR 65 HA TYR 65 -10.662 -5.859 -1.440 504 1HB TYR 65 1HB TYR 65 -8.014 -6.858 -2.509 505 2HB TYR 65 2HB TYR 65 -8.297 -5.965 -1.018 506 HD1 TYR 65 HD1 TYR 65 -8.254 -9.213 -2.604 507 HD2 TYR 65 HD2 TYR 65 -9.429 -7.101 0.898 508 HE1 TYR 65 HE1 TYR 65 -8.473 -11.343 -1.402 509 HE2 TYR 65 HE2 TYR 65 -9.651 -9.229 2.111 510 HH TYR 65 HH TYR 65 -8.511 -12.218 0.788 511 H ILE 66 H ILE 66 -9.456 -3.812 -1.587 512 HA ILE 66 HA ILE 66 -8.997 -2.924 -4.357 513 HB ILE 66 HB ILE 66 -10.398 -1.310 -2.217 514 1HG1 ILE 66 1HG1 ILE 66 -11.443 -2.437 -4.825 515 2HG1 ILE 66 2HG1 ILE 66 -11.826 -3.047 -3.219 516 1HG2 ILE 66 1HG2 ILE 66 -8.976 0.081 -3.614 517 2HG2 ILE 66 2HG2 ILE 66 -10.674 0.380 -3.985 518 3HG2 ILE 66 3HG2 ILE 66 -9.695 -0.610 -5.069 519 1HD1 ILE 66 1HD1 ILE 66 -12.525 -0.320 -4.285 520 2HD1 ILE 66 2HD1 ILE 66 -12.908 -0.927 -2.674 521 3HD1 ILE 66 3HD1 ILE 66 -13.631 -1.682 -4.095 522 H GLY 67 H GLY 67 -7.071 -2.067 -4.626 523 1HA GLY 67 1HA GLY 67 -5.438 -1.429 -2.290 524 2HA GLY 67 2HA GLY 67 -4.866 -1.608 -3.940 525 H HIS 68 H HIS 68 -4.593 0.539 -1.846 526 HA HIS 68 HA HIS 68 -5.447 2.812 -3.517 527 1HB HIS 68 1HB HIS 68 -5.356 2.827 -0.486 528 2HB HIS 68 2HB HIS 68 -5.929 4.116 -1.531 529 HD1 HIS 68 HD1 HIS 68 -8.359 3.994 -2.325 530 HD2 HIS 68 HD2 HIS 68 -7.135 0.644 -0.185 531 HE1 HIS 68 HE1 HIS 68 -10.456 2.673 -1.869 532 HE2 HIS 68 HE2 HIS 68 -9.703 0.738 -0.439 533 H ALA 69 H ALA 69 -3.754 4.070 -4.118 534 HA ALA 69 HA ALA 69 -1.143 3.504 -2.981 535 1HB ALA 69 1HB ALA 69 -1.317 3.805 -5.384 536 2HB ALA 69 2HB ALA 69 -0.280 5.048 -4.681 537 3HB ALA 69 3HB ALA 69 -1.932 5.442 -5.150 538 H PHE 70 H PHE 70 -0.275 4.546 -1.350 539 HA PHE 70 HA PHE 70 -1.194 7.283 -0.771 540 1HB PHE 70 1HB PHE 70 -0.212 5.097 1.059 541 2HB PHE 70 2HB PHE 70 -0.315 6.781 1.566 542 HD1 PHE 70 HD1 PHE 70 -2.405 7.811 2.023 543 HD2 PHE 70 HD2 PHE 70 -2.237 3.825 0.553 544 HE1 PHE 70 HE1 PHE 70 -4.769 7.501 2.607 545 HE2 PHE 70 HE2 PHE 70 -4.601 3.507 1.138 546 HZ PHE 70 HZ PHE 70 -5.871 5.349 2.164 547 H LYS 71 H LYS 71 0.270 8.869 -0.557 548 HA LYS 71 HA LYS 71 2.991 8.338 -1.353 549 1HB LYS 71 1HB LYS 71 1.341 10.771 -0.871 550 2HB LYS 71 2HB LYS 71 3.085 10.930 -0.705 551 1HG LYS 71 1HG LYS 71 2.596 11.562 -2.906 552 2HG LYS 71 2HG LYS 71 3.252 9.930 -3.025 553 1HD LYS 71 1HD LYS 71 0.299 10.291 -2.811 554 2HD LYS 71 2HD LYS 71 1.092 10.624 -4.349 555 1HE LYS 71 1HE LYS 71 1.971 8.387 -4.437 556 2HE LYS 71 2HE LYS 71 1.364 8.040 -2.819 557 1HZ LYS 71 1HZ LYS 71 -0.874 8.214 -3.614 558 2HZ LYS 71 2HZ LYS 71 -0.037 7.137 -4.615 559 3HZ LYS 71 3HZ LYS 71 -0.352 8.711 -5.144 560 H LYS 72 H LYS 72 4.649 8.014 -0.039 561 HA LYS 72 HA LYS 72 4.261 8.516 2.839 562 1HB LYS 72 1HB LYS 72 5.935 6.329 1.590 563 2HB LYS 72 2HB LYS 72 5.591 6.547 3.300 564 1HG LYS 72 1HG LYS 72 3.468 5.986 1.244 565 2HG LYS 72 2HG LYS 72 4.303 4.728 2.152 566 1HD LYS 72 1HD LYS 72 2.738 6.981 3.408 567 2HD LYS 72 2HD LYS 72 2.091 5.367 3.103 568 1HE LYS 72 1HE LYS 72 4.033 4.493 4.482 569 2HE LYS 72 2HE LYS 72 4.317 6.164 4.962 570 1HZ LYS 72 1HZ LYS 72 2.970 4.994 6.585 571 2HZ LYS 72 2HZ LYS 72 1.809 4.634 5.407 572 3HZ LYS 72 3HZ LYS 72 2.070 6.245 5.872 573 H ALA 73 H ALA 73 6.668 8.326 3.876 574 HA ALA 73 HA ALA 73 8.012 10.648 2.944 575 1HB ALA 73 1HB ALA 73 9.630 10.193 4.695 576 2HB ALA 73 2HB ALA 73 8.982 8.564 4.899 577 3HB ALA 73 3HB ALA 73 7.991 9.966 5.305 578 H GLY 74 H GLY 74 8.807 10.490 0.914 579 1HA GLY 74 1HA GLY 74 10.294 9.961 -0.752 580 2HA GLY 74 2HA GLY 74 11.273 9.182 0.481 581 H HIS 75 H HIS 75 8.044 8.071 0.174 582 HA HIS 75 HA HIS 75 8.849 5.803 -1.479 583 1HB HIS 75 1HB HIS 75 7.884 5.590 1.374 584 2HB HIS 75 2HB HIS 75 7.916 4.228 0.256 585 HD1 HIS 75 HD1 HIS 75 9.838 5.651 2.863 586 HD2 HIS 75 HD2 HIS 75 10.758 3.983 -0.829 587 HE1 HIS 75 HE1 HIS 75 12.268 5.014 2.993 588 HE2 HIS 75 HE2 HIS 75 12.840 4.154 0.689 589 H PHE 76 H PHE 76 6.926 4.276 -1.738 590 HA PHE 76 HA PHE 76 4.358 5.699 -1.637 591 1HB PHE 76 1HB PHE 76 5.463 4.178 -4.010 592 2HB PHE 76 2HB PHE 76 3.820 4.798 -3.891 593 HD1 PHE 76 HD1 PHE 76 3.649 7.377 -3.417 594 HD2 PHE 76 HD2 PHE 76 7.045 5.436 -5.087 595 HE1 PHE 76 HE1 PHE 76 4.378 9.506 -4.405 596 HE2 PHE 76 HE2 PHE 76 7.780 7.565 -6.076 597 HZ PHE 76 HZ PHE 76 6.446 9.602 -5.735 598 H ILE 77 H ILE 77 2.918 4.438 -0.569 599 HA ILE 77 HA ILE 77 3.354 1.532 -0.744 600 HB ILE 77 HB ILE 77 2.445 3.047 1.710 601 1HG1 ILE 77 1HG1 ILE 77 4.977 1.507 1.095 602 2HG1 ILE 77 2HG1 ILE 77 4.845 3.246 1.318 603 1HG2 ILE 77 1HG2 ILE 77 2.472 0.864 2.827 604 2HG2 ILE 77 2HG2 ILE 77 2.842 0.083 1.290 605 3HG2 ILE 77 3HG2 ILE 77 1.297 0.904 1.514 606 1HD1 ILE 77 1HD1 ILE 77 5.783 2.166 3.279 607 2HD1 ILE 77 2HD1 ILE 77 4.344 1.157 3.424 608 3HD1 ILE 77 3HD1 ILE 77 4.223 2.902 3.648 609 H VAL 78 H VAL 78 1.683 0.325 -1.259 610 HA VAL 78 HA VAL 78 -0.893 1.671 -1.680 611 HB VAL 78 HB VAL 78 0.116 -0.923 -2.865 612 1HG1 VAL 78 1HG1 VAL 78 -2.349 0.693 -3.507 613 2HG1 VAL 78 2HG1 VAL 78 -2.314 -0.860 -2.669 614 3HG1 VAL 78 3HG1 VAL 78 -1.813 -0.758 -4.356 615 1HG2 VAL 78 1HG2 VAL 78 -0.136 1.810 -4.114 616 2HG2 VAL 78 2HG2 VAL 78 0.327 0.331 -4.957 617 3HG2 VAL 78 3HG2 VAL 78 1.371 0.991 -3.698 618 H TYR 79 H TYR 79 -2.245 1.375 -0.050 619 HA TYR 79 HA TYR 79 -2.108 -1.046 1.553 620 1HB TYR 79 1HB TYR 79 -3.685 1.515 1.865 621 2HB TYR 79 2HB TYR 79 -3.772 0.164 2.980 622 HD1 TYR 79 HD1 TYR 79 -1.368 2.597 1.519 623 HD2 TYR 79 HD2 TYR 79 -2.284 0.033 4.782 624 HE1 TYR 79 HE1 TYR 79 0.521 3.534 2.773 625 HE2 TYR 79 HE2 TYR 79 -0.393 0.963 6.047 626 HH TYR 79 HH TYR 79 1.681 2.125 5.688 627 H PHE 80 H PHE 80 -3.374 -2.711 1.161 628 HA PHE 80 HA PHE 80 -5.655 -2.401 -0.639 629 1HB PHE 80 1HB PHE 80 -4.106 -4.813 0.319 630 2HB PHE 80 2HB PHE 80 -5.562 -4.927 -0.655 631 HD1 PHE 80 HD1 PHE 80 -2.063 -3.784 -0.628 632 HD2 PHE 80 HD2 PHE 80 -5.517 -4.551 -2.991 633 HE1 PHE 80 HE1 PHE 80 -0.707 -3.574 -2.670 634 HE2 PHE 80 HE2 PHE 80 -4.168 -4.342 -5.039 635 HZ PHE 80 HZ PHE 80 -1.760 -3.853 -4.882 636 H THR 81 H THR 81 -7.625 -2.254 0.203 637 HA THR 81 HA THR 81 -8.089 -3.415 2.870 638 HB THR 81 HB THR 81 -9.990 -1.864 3.072 639 HG1 THR 81 HG1 THR 81 -10.408 -0.346 1.496 640 1HG2 THR 81 1HG2 THR 81 -7.408 -0.482 2.344 641 2HG2 THR 81 2HG2 THR 81 -7.815 -1.163 3.920 642 3HG2 THR 81 3HG2 THR 81 -8.718 0.217 3.297 643 HA PRO 82 HA PRO 82 -11.006 -6.278 1.129 644 1HB PRO 82 1HB PRO 82 -12.912 -6.415 3.050 645 2HB PRO 82 2HB PRO 82 -11.301 -7.112 3.255 646 1HG PRO 82 1HG PRO 82 -12.376 -4.503 4.260 647 2HG PRO 82 2HG PRO 82 -11.380 -5.703 5.107 648 1HD PRO 82 1HD PRO 82 -10.340 -3.448 4.028 649 2HD PRO 82 2HD PRO 82 -9.431 -4.970 4.116 650 H LYS 83 H LYS 83 -11.339 -4.124 -0.274 651 HA LYS 83 HA LYS 83 -12.692 -2.757 -1.446 652 1HB LYS 83 1HB LYS 83 -14.475 -4.989 -0.699 653 2HB LYS 83 2HB LYS 83 -15.277 -3.509 -1.211 654 1HG LYS 83 1HG LYS 83 -13.862 -3.544 -3.267 655 2HG LYS 83 2HG LYS 83 -13.279 -5.130 -2.766 656 1HD LYS 83 1HD LYS 83 -15.425 -6.094 -2.975 657 2HD LYS 83 2HD LYS 83 -16.201 -4.513 -3.105 658 1HE LYS 83 1HE LYS 83 -14.250 -5.622 -5.117 659 2HE LYS 83 2HE LYS 83 -16.003 -5.741 -5.267 660 1HZ LYS 83 1HZ LYS 83 -15.172 -3.893 -6.540 661 2HZ LYS 83 2HZ LYS 83 -14.416 -3.234 -5.177 662 3HZ LYS 83 3HZ LYS 83 -16.104 -3.303 -5.252 663 H ASN 84 H ASN 84 -12.132 -2.239 1.396 664 HA ASN 84 HA ASN 84 -14.344 -0.888 2.527 665 1HB ASN 84 1HB ASN 84 -12.468 -1.431 3.946 666 2HB ASN 84 2HB ASN 84 -11.370 -0.495 2.935 667 1HD2 ASN 84 1HD2 ASN 84 -13.933 -0.350 5.294 668 2HD2 ASN 84 2HD2 ASN 84 -13.710 1.320 5.711 669 H LYS 85 H LYS 85 -15.382 0.594 1.449 670 HA LYS 85 HA LYS 85 -13.953 2.948 0.503 671 1HB LYS 85 1HB LYS 85 -14.145 1.587 -1.495 672 2HB LYS 85 2HB LYS 85 -15.849 1.293 -1.177 673 1HG LYS 85 1HG LYS 85 -16.256 3.725 -1.465 674 2HG LYS 85 2HG LYS 85 -14.569 3.898 -1.952 675 1HD LYS 85 1HD LYS 85 -14.887 2.558 -3.874 676 2HD LYS 85 2HD LYS 85 -16.461 1.992 -3.305 677 1HE LYS 85 1HE LYS 85 -15.777 4.819 -4.108 678 2HE LYS 85 2HE LYS 85 -16.702 3.665 -5.070 679 1HZ LYS 85 1HZ LYS 85 -18.383 3.618 -3.330 680 2HZ LYS 85 2HZ LYS 85 -18.152 5.197 -3.893 681 3HZ LYS 85 3HZ LYS 85 -17.495 4.726 -2.407 682 H ASN 86 H ASN 86 -14.840 4.423 1.790 683 HA ASN 86 HA ASN 86 -16.288 5.420 3.240 684 1HB ASN 86 1HB ASN 86 -18.273 6.415 2.132 685 2HB ASN 86 2HB ASN 86 -16.787 6.643 1.226 686 1HD2 ASN 86 1HD2 ASN 86 -19.885 5.075 1.319 687 2HD2 ASN 86 2HD2 ASN 86 -19.900 4.572 -0.337 688 H ARG 87 H ARG 87 -16.281 2.855 3.819 689 HA ARG 87 HA ARG 87 -18.386 1.173 3.581 690 1HB ARG 87 1HB ARG 87 -16.344 0.521 4.649 691 2HB ARG 87 2HB ARG 87 -16.601 1.657 5.961 692 1HG ARG 87 1HG ARG 87 -17.040 -0.560 6.737 693 2HG ARG 87 2HG ARG 87 -18.558 0.334 6.674 694 1HD ARG 87 1HD ARG 87 -19.273 -0.821 4.752 695 2HD ARG 87 2HD ARG 87 -17.657 -1.453 4.434 696 HE ARG 87 HE ARG 87 -17.937 -2.803 6.491 697 1HH1 ARG 87 1HH1 ARG 87 -20.796 -1.591 4.860 698 2HH1 ARG 87 2HH1 ARG 87 -21.824 -2.854 5.459 699 1HH2 ARG 87 1HH2 ARG 87 -19.280 -4.447 7.283 700 2HH2 ARG 87 2HH2 ARG 87 -20.962 -4.481 6.836 701 H GLU 88 H GLU 88 -18.046 3.052 6.613 702 HA GLU 88 HA GLU 88 -20.965 2.947 6.852 703 1HB GLU 88 1HB GLU 88 -20.593 3.637 9.212 704 2HB GLU 88 2HB GLU 88 -19.825 2.114 8.795 705 1HG GLU 88 1HG GLU 88 -18.299 4.690 8.747 706 2HG GLU 88 2HG GLU 88 -18.538 3.787 10.242 707 H GLY 89 H GLY 89 -19.791 4.731 4.967 708 1HA GLY 89 1HA GLY 89 -20.512 6.835 4.262 709 2HA GLY 89 2HA GLY 89 -21.059 7.172 5.898 710 H VAL 90 H VAL 90 -17.844 6.068 5.037 711 HA VAL 90 HA VAL 90 -16.642 8.243 6.450 712 HB VAL 90 HB VAL 90 -15.316 6.185 4.669 713 1HG1 VAL 90 1HG1 VAL 90 -13.929 8.160 5.071 714 2HG1 VAL 90 2HG1 VAL 90 -13.279 6.741 5.890 715 3HG1 VAL 90 3HG1 VAL 90 -14.153 7.966 6.810 716 1HG2 VAL 90 1HG2 VAL 90 -15.708 6.172 7.659 717 2HG2 VAL 90 2HG2 VAL 90 -14.827 4.968 6.716 718 3HG2 VAL 90 3HG2 VAL 90 -16.568 5.153 6.504 719 H VAL 91 H VAL 91 -17.166 10.147 5.429 720 HA VAL 91 HA VAL 91 -16.305 10.510 2.666 721 HB VAL 91 HB VAL 91 -17.240 12.842 2.961 722 1HG1 VAL 91 1HG1 VAL 91 -19.103 10.517 3.415 723 2HG1 VAL 91 2HG1 VAL 91 -18.503 11.084 1.857 724 3HG1 VAL 91 3HG1 VAL 91 -19.578 12.104 2.813 725 1HG2 VAL 91 1HG2 VAL 91 -18.307 11.686 5.536 726 2HG2 VAL 91 2HG2 VAL 91 -18.748 13.245 4.839 727 3HG2 VAL 91 3HG2 VAL 91 -17.101 12.966 5.405 728 HA PRO 92 HA PRO 92 -12.407 11.897 4.324 729 1HB PRO 92 1HB PRO 92 -11.164 12.237 1.939 730 2HB PRO 92 2HB PRO 92 -11.407 10.655 2.685 731 1HG PRO 92 1HG PRO 92 -12.927 11.964 0.480 732 2HG PRO 92 2HG PRO 92 -12.453 10.266 0.673 733 1HD PRO 92 1HD PRO 92 -14.964 11.219 1.208 734 2HD PRO 92 2HD PRO 92 -14.267 9.784 1.985 735 HA PRO 93 HA PRO 93 -13.145 16.295 3.714 736 1HB PRO 93 1HB PRO 93 -11.853 17.101 5.944 737 2HB PRO 93 2HB PRO 93 -13.490 16.439 5.989 738 1HG PRO 93 1HG PRO 93 -10.907 15.162 6.721 739 2HG PRO 93 2HG PRO 93 -12.514 14.936 7.426 740 1HD PRO 93 1HD PRO 93 -11.279 13.223 5.607 741 2HD PRO 93 2HD PRO 93 -13.011 13.253 5.987 742 H VAL 94 H VAL 94 -11.824 16.424 1.881 743 HA VAL 94 HA VAL 94 -9.009 16.160 1.981 744 HB VAL 94 HB VAL 94 -9.119 17.225 -0.326 745 1HG1 VAL 94 1HG1 VAL 94 -10.750 14.756 0.239 746 2HG1 VAL 94 2HG1 VAL 94 -9.001 14.825 0.032 747 3HG1 VAL 94 3HG1 VAL 94 -10.066 15.194 -1.326 748 1HG2 VAL 94 1HG2 VAL 94 -11.229 18.445 -0.010 749 2HG2 VAL 94 2HG2 VAL 94 -12.086 16.910 0.131 750 3HG2 VAL 94 3HG2 VAL 94 -11.305 17.349 -1.389 751 H GLY 95 H GLY 95 -7.806 17.485 3.085 752 1HA GLY 95 1HA GLY 95 -7.876 20.329 2.429 753 2HA GLY 95 2HA GLY 95 -8.059 19.891 4.123 754 H ILE 96 H ILE 96 -5.981 18.768 1.460 755 HA ILE 96 HA ILE 96 -3.768 18.506 3.305 756 HB ILE 96 HB ILE 96 -2.508 17.669 1.316 757 1HG1 ILE 96 1HG1 ILE 96 -5.187 17.934 -0.072 758 2HG1 ILE 96 2HG1 ILE 96 -3.770 18.922 -0.408 759 1HG2 ILE 96 1HG2 ILE 96 -3.693 16.168 2.841 760 2HG2 ILE 96 2HG2 ILE 96 -3.701 15.551 1.189 761 3HG2 ILE 96 3HG2 ILE 96 -5.147 16.312 1.854 762 1HD1 ILE 96 1HD1 ILE 96 -2.566 16.958 -1.179 763 2HD1 ILE 96 2HD1 ILE 96 -4.077 17.162 -2.068 764 3HD1 ILE 96 3HD1 ILE 96 -3.956 15.942 -0.798 765 H THR 97 H THR 97 -4.769 20.663 0.742 766 HA THR 97 HA THR 97 -2.323 22.231 1.151 767 HB THR 97 HB THR 97 -3.236 23.445 -0.965 768 HG1 THR 97 HG1 THR 97 -5.127 22.602 -1.482 769 1HG2 THR 97 1HG2 THR 97 -2.102 21.824 -2.417 770 2HG2 THR 97 2HG2 THR 97 -2.151 20.630 -1.121 771 3HG2 THR 97 3HG2 THR 97 -1.195 22.101 -0.931 772 H ASN 98 H ASN 98 -2.442 24.315 1.886 773 HA ASN 98 HA ASN 98 -5.043 25.095 2.965 774 1HB ASN 98 1HB ASN 98 -3.837 26.561 4.476 775 2HB ASN 98 2HB ASN 98 -3.139 24.949 4.546 776 1HD2 ASN 98 1HD2 ASN 98 -2.596 28.251 3.915 777 2HD2 ASN 98 2HD2 ASN 98 -0.920 28.133 3.485 Start of MODEL 4 1 H MET 1 H MET 1 -16.694 15.104 -8.743 2 HA MET 1 HA MET 1 -16.947 14.995 -6.385 3 1HB MET 1 1HB MET 1 -17.748 12.155 -6.992 4 2HB MET 1 2HB MET 1 -17.128 12.610 -5.412 5 1HG MET 1 1HG MET 1 -18.948 14.253 -5.201 6 2HG MET 1 2HG MET 1 -19.588 13.708 -6.751 7 1HE MET 1 1HE MET 1 -22.092 12.320 -4.002 8 2HE MET 1 2HE MET 1 -21.933 13.374 -5.406 9 3HE MET 1 3HE MET 1 -21.155 13.809 -3.884 10 H LYS 2 H LYS 2 -15.431 13.464 -4.906 11 HA LYS 2 HA LYS 2 -13.122 12.603 -6.485 12 1HB LYS 2 1HB LYS 2 -12.702 14.942 -5.791 13 2HB LYS 2 2HB LYS 2 -12.928 14.475 -4.111 14 1HG LYS 2 1HG LYS 2 -10.564 14.688 -4.730 15 2HG LYS 2 2HG LYS 2 -10.978 13.051 -4.214 16 1HD LYS 2 1HD LYS 2 -9.542 13.026 -6.195 17 2HD LYS 2 2HD LYS 2 -11.132 12.344 -6.539 18 1HE LYS 2 1HE LYS 2 -11.814 14.520 -7.494 19 2HE LYS 2 2HE LYS 2 -10.172 15.114 -7.237 20 1HZ LYS 2 1HZ LYS 2 -10.806 12.729 -8.883 21 2HZ LYS 2 2HZ LYS 2 -9.322 13.546 -8.776 22 3HZ LYS 2 3HZ LYS 2 -10.651 14.291 -9.524 23 H SER 3 H SER 3 -13.488 10.488 -6.001 24 HA SER 3 HA SER 3 -14.072 9.678 -3.305 25 1HB SER 3 1HB SER 3 -13.554 7.971 -5.749 26 2HB SER 3 2HB SER 3 -14.274 7.437 -4.229 27 HG SER 3 HG SER 3 -15.818 9.331 -4.799 28 H SER 4 H SER 4 -12.158 10.466 -2.327 29 HA SER 4 HA SER 4 -9.997 8.484 -2.478 30 1HB SER 4 1HB SER 4 -8.503 10.378 -1.626 31 2HB SER 4 2HB SER 4 -9.019 10.493 -3.310 32 HG SER 4 HG SER 4 -9.343 12.481 -2.395 33 H ILE 5 H ILE 5 -8.958 8.087 -0.386 34 HA ILE 5 HA ILE 5 -10.691 8.739 1.899 35 HB ILE 5 HB ILE 5 -9.527 6.005 1.318 36 1HG1 ILE 5 1HG1 ILE 5 -12.395 6.959 1.183 37 2HG1 ILE 5 2HG1 ILE 5 -11.379 6.565 -0.200 38 1HG2 ILE 5 1HG2 ILE 5 -11.385 6.929 3.512 39 2HG2 ILE 5 2HG2 ILE 5 -9.694 6.466 3.708 40 3HG2 ILE 5 3HG2 ILE 5 -10.888 5.260 3.223 41 1HD1 ILE 5 1HD1 ILE 5 -12.930 4.772 0.307 42 2HD1 ILE 5 2HD1 ILE 5 -12.270 4.648 1.937 43 3HD1 ILE 5 3HD1 ILE 5 -11.263 4.249 0.544 44 HA PRO 6 HA PRO 6 -6.774 9.846 3.652 45 1HB PRO 6 1HB PRO 6 -7.463 9.901 6.279 46 2HB PRO 6 2HB PRO 6 -7.895 11.173 5.136 47 1HG PRO 6 1HG PRO 6 -9.553 8.924 6.190 48 2HG PRO 6 2HG PRO 6 -10.015 10.607 5.878 49 1HD PRO 6 1HD PRO 6 -10.619 8.553 4.198 50 2HD PRO 6 2HD PRO 6 -10.372 10.223 3.645 51 H ILE 7 H ILE 7 -5.075 9.003 4.925 52 HA ILE 7 HA ILE 7 -4.955 6.162 4.784 53 HB ILE 7 HB ILE 7 -2.977 7.544 4.347 54 1HG1 ILE 7 1HG1 ILE 7 -1.351 6.211 5.626 55 2HG1 ILE 7 2HG1 ILE 7 -2.631 5.701 6.721 56 1HG2 ILE 7 1HG2 ILE 7 -3.057 8.157 7.293 57 2HG2 ILE 7 2HG2 ILE 7 -3.348 9.296 5.978 58 3HG2 ILE 7 3HG2 ILE 7 -1.748 8.584 6.189 59 1HD1 ILE 7 1HD1 ILE 7 -3.743 4.542 4.904 60 2HD1 ILE 7 2HD1 ILE 7 -2.079 3.983 5.085 61 3HD1 ILE 7 3HD1 ILE 7 -2.499 5.092 3.779 62 H THR 8 H THR 8 -5.661 8.437 7.316 63 HA THR 8 HA THR 8 -5.189 6.841 9.556 64 HB THR 8 HB THR 8 -5.742 9.215 9.761 65 HG1 THR 8 HG1 THR 8 -6.561 8.844 11.686 66 1HG2 THR 8 1HG2 THR 8 -7.437 9.376 8.005 67 2HG2 THR 8 2HG2 THR 8 -8.051 9.997 9.537 68 3HG2 THR 8 3HG2 THR 8 -8.541 8.399 8.975 69 H GLU 9 H GLU 9 -7.709 6.699 7.171 70 HA GLU 9 HA GLU 9 -9.233 4.795 8.766 71 1HB GLU 9 1HB GLU 9 -9.777 6.040 6.069 72 2HB GLU 9 2HB GLU 9 -10.819 4.844 6.828 73 1HG GLU 9 1HG GLU 9 -10.183 7.598 7.851 74 2HG GLU 9 2HG GLU 9 -11.718 7.029 7.195 75 H VAL 10 H VAL 10 -7.499 4.972 5.668 76 HA VAL 10 HA VAL 10 -8.182 2.338 4.892 77 HB VAL 10 HB VAL 10 -5.950 4.116 3.907 78 1HG1 VAL 10 1HG1 VAL 10 -5.465 1.770 3.427 79 2HG1 VAL 10 2HG1 VAL 10 -5.879 2.643 1.951 80 3HG1 VAL 10 3HG1 VAL 10 -7.065 1.579 2.710 81 1HG2 VAL 10 1HG2 VAL 10 -8.138 5.067 3.527 82 2HG2 VAL 10 2HG2 VAL 10 -8.718 3.543 2.859 83 3HG2 VAL 10 3HG2 VAL 10 -7.492 4.470 1.998 84 H LEU 11 H LEU 11 -5.473 3.648 6.708 85 HA LEU 11 HA LEU 11 -3.704 1.522 6.518 86 1HB LEU 11 1HB LEU 11 -2.866 3.465 7.475 87 2HB LEU 11 2HB LEU 11 -4.199 3.608 8.602 88 HG LEU 11 HG LEU 11 -3.314 1.705 9.879 89 1HD1 LEU 11 1HD1 LEU 11 -2.166 0.544 8.080 90 2HD1 LEU 11 2HD1 LEU 11 -1.067 0.872 9.419 91 3HD1 LEU 11 3HD1 LEU 11 -0.997 1.859 7.958 92 1HD2 LEU 11 1HD2 LEU 11 -1.357 2.875 10.802 93 2HD2 LEU 11 2HD2 LEU 11 -2.725 3.956 10.541 94 3HD2 LEU 11 3HD2 LEU 11 -1.368 3.962 9.413 95 HA PRO 12 HA PRO 12 -5.574 -0.664 10.374 96 1HB PRO 12 1HB PRO 12 -7.932 0.240 11.385 97 2HB PRO 12 2HB PRO 12 -6.353 0.793 11.954 98 1HG PRO 12 1HG PRO 12 -8.231 2.095 10.022 99 2HG PRO 12 2HG PRO 12 -7.300 2.823 11.344 100 1HD PRO 12 1HD PRO 12 -6.503 2.981 8.772 101 2HD PRO 12 2HD PRO 12 -5.353 2.872 10.117 102 H ARG 13 H ARG 13 -7.787 0.629 7.958 103 HA ARG 13 HA ARG 13 -9.580 -1.632 8.141 104 1HB ARG 13 1HB ARG 13 -9.477 0.676 6.195 105 2HB ARG 13 2HB ARG 13 -10.733 -0.544 6.235 106 1HG ARG 13 1HG ARG 13 -11.382 0.179 8.470 107 2HG ARG 13 2HG ARG 13 -10.101 1.396 8.445 108 1HD ARG 13 1HD ARG 13 -11.169 2.354 6.399 109 2HD ARG 13 2HD ARG 13 -12.509 1.235 6.640 110 HE ARG 13 HE ARG 13 -11.766 3.406 8.505 111 1HH1 ARG 13 1HH1 ARG 13 -14.116 1.223 7.112 112 2HH1 ARG 13 2HH1 ARG 13 -15.473 1.958 7.912 113 1HH2 ARG 13 1HH2 ARG 13 -13.512 4.419 9.517 114 2HH2 ARG 13 2HH2 ARG 13 -15.123 3.794 9.302 115 H ALA 14 H ALA 14 -6.598 -1.286 6.829 116 HA ALA 14 HA ALA 14 -7.117 -2.591 4.294 117 1HB ALA 14 1HB ALA 14 -5.379 -0.871 4.450 118 2HB ALA 14 2HB ALA 14 -4.717 -2.422 3.930 119 3HB ALA 14 3HB ALA 14 -4.489 -1.877 5.593 120 H VAL 15 H VAL 15 -6.220 -4.585 3.683 121 HA VAL 15 HA VAL 15 -5.579 -6.412 5.906 122 HB VAL 15 HB VAL 15 -6.544 -8.242 4.497 123 1HG1 VAL 15 1HG1 VAL 15 -7.830 -7.286 6.325 124 2HG1 VAL 15 2HG1 VAL 15 -8.891 -7.697 4.978 125 3HG1 VAL 15 3HG1 VAL 15 -8.435 -6.016 5.260 126 1HG2 VAL 15 1HG2 VAL 15 -7.564 -5.938 2.833 127 2HG2 VAL 15 2HG2 VAL 15 -8.071 -7.622 2.672 128 3HG2 VAL 15 3HG2 VAL 15 -6.402 -7.163 2.323 129 H GLY 16 H GLY 16 -4.293 -4.786 3.425 130 1HA GLY 16 1HA GLY 16 -1.972 -6.478 3.331 131 2HA GLY 16 2HA GLY 16 -2.835 -6.396 1.800 132 H SER 17 H SER 17 -0.202 -5.471 2.093 133 HA SER 17 HA SER 17 -0.597 -2.733 1.258 134 1HB SER 17 1HB SER 17 1.206 -1.905 2.818 135 2HB SER 17 2HB SER 17 -0.318 -2.327 3.597 136 HG SER 17 HG SER 17 2.129 -3.751 3.581 137 H LEU 18 H LEU 18 0.821 -2.115 -0.245 138 HA LEU 18 HA LEU 18 3.197 -3.795 -0.678 139 1HB LEU 18 1HB LEU 18 1.286 -2.515 -2.565 140 2HB LEU 18 2HB LEU 18 2.967 -2.635 -3.038 141 HG LEU 18 HG LEU 18 1.267 -4.983 -2.225 142 1HD1 LEU 18 1HD1 LEU 18 2.074 -4.023 -4.966 143 2HD1 LEU 18 2HD1 LEU 18 0.440 -4.028 -4.300 144 3HD1 LEU 18 3HD1 LEU 18 1.271 -5.552 -4.611 145 1HD2 LEU 18 1HD2 LEU 18 3.678 -5.261 -1.843 146 2HD2 LEU 18 2HD2 LEU 18 3.980 -4.852 -3.532 147 3HD2 LEU 18 3HD2 LEU 18 3.083 -6.314 -3.126 148 H THR 19 H THR 19 5.024 -2.786 -0.161 149 HA THR 19 HA THR 19 5.054 0.136 -0.062 150 HB THR 19 HB THR 19 7.219 -1.767 0.857 151 HG1 THR 19 HG1 THR 19 4.931 -1.701 1.909 152 1HG2 THR 19 1HG2 THR 19 7.964 0.527 0.442 153 2HG2 THR 19 2HG2 THR 19 7.971 0.163 2.168 154 3HG2 THR 19 3HG2 THR 19 6.673 1.138 1.478 155 H PHE 20 H PHE 20 5.788 1.223 -1.729 156 HA PHE 20 HA PHE 20 7.736 -0.035 -3.545 157 1HB PHE 20 1HB PHE 20 5.466 1.871 -4.036 158 2HB PHE 20 2HB PHE 20 6.833 1.833 -5.137 159 HD1 PHE 20 HD1 PHE 20 4.583 -0.639 -3.461 160 HD2 PHE 20 HD2 PHE 20 6.544 0.623 -7.015 161 HE1 PHE 20 HE1 PHE 20 3.528 -2.487 -4.700 162 HE2 PHE 20 HE2 PHE 20 5.499 -1.223 -8.257 163 HZ PHE 20 HZ PHE 20 3.990 -2.774 -7.094 164 H ASP 21 H ASP 21 9.347 1.287 -4.438 165 HA ASP 21 HA ASP 21 10.262 3.401 -2.659 166 1HB ASP 21 1HB ASP 21 11.774 1.556 -3.413 167 2HB ASP 21 2HB ASP 21 11.615 2.142 -5.062 168 H GLU 22 H GLU 22 11.379 5.333 -3.867 169 HA GLU 22 HA GLU 22 9.396 6.713 -5.322 170 1HB GLU 22 1HB GLU 22 11.136 8.431 -5.654 171 2HB GLU 22 2HB GLU 22 11.018 7.919 -3.981 172 1HG GLU 22 1HG GLU 22 13.016 6.652 -4.142 173 2HG GLU 22 2HG GLU 22 13.058 6.827 -5.896 174 H ASN 23 H ASN 23 11.956 4.593 -6.239 175 HA ASN 23 HA ASN 23 11.895 5.342 -9.028 176 1HB ASN 23 1HB ASN 23 13.257 3.096 -7.534 177 2HB ASN 23 2HB ASN 23 13.402 3.343 -9.268 178 1HD2 ASN 23 1HD2 ASN 23 14.219 4.572 -6.114 179 2HD2 ASN 23 2HD2 ASN 23 15.454 5.671 -6.654 180 H TYR 24 H TYR 24 9.585 4.118 -7.343 181 HA TYR 24 HA TYR 24 7.756 2.844 -7.708 182 1HB TYR 24 1HB TYR 24 8.767 2.707 -10.556 183 2HB TYR 24 2HB TYR 24 7.132 2.338 -10.018 184 HD1 TYR 24 HD1 TYR 24 5.804 4.240 -8.895 185 HD2 TYR 24 HD2 TYR 24 9.343 4.875 -11.171 186 HE1 TYR 24 HE1 TYR 24 5.194 6.606 -9.177 187 HE2 TYR 24 HE2 TYR 24 8.739 7.240 -11.466 188 HH TYR 24 HH TYR 24 6.420 8.787 -9.648 189 H ASN 25 H ASN 25 10.324 1.629 -6.978 190 HA ASN 25 HA ASN 25 10.102 -1.061 -8.101 191 1HB ASN 25 1HB ASN 25 12.173 0.152 -6.257 192 2HB ASN 25 2HB ASN 25 12.217 -1.496 -6.875 193 1HD2 ASN 25 1HD2 ASN 25 14.070 0.781 -7.187 194 2HD2 ASN 25 2HD2 ASN 25 14.260 0.978 -8.898 195 H LEU 26 H LEU 26 9.232 -2.710 -6.990 196 HA LEU 26 HA LEU 26 7.862 -2.306 -4.569 197 1HB LEU 26 1HB LEU 26 7.157 -3.987 -6.143 198 2HB LEU 26 2HB LEU 26 8.690 -4.825 -6.000 199 HG LEU 26 HG LEU 26 8.178 -5.502 -3.743 200 1HD1 LEU 26 1HD1 LEU 26 5.655 -3.886 -4.069 201 2HD1 LEU 26 2HD1 LEU 26 7.004 -3.521 -2.991 202 3HD1 LEU 26 3HD1 LEU 26 6.017 -4.956 -2.714 203 1HD2 LEU 26 1HD2 LEU 26 7.324 -6.895 -5.548 204 2HD2 LEU 26 2HD2 LEU 26 5.836 -5.949 -5.587 205 3HD2 LEU 26 3HD2 LEU 26 6.229 -6.917 -4.167 206 H LEU 27 H LEU 27 8.571 -2.263 -2.569 207 HA LEU 27 HA LEU 27 11.259 -3.284 -1.984 208 1HB LEU 27 1HB LEU 27 9.522 -1.400 -0.390 209 2HB LEU 27 2HB LEU 27 11.168 -1.856 0.001 210 HG LEU 27 HG LEU 27 10.323 -0.286 -2.435 211 1HD1 LEU 27 1HD1 LEU 27 10.073 1.003 -0.399 212 2HD1 LEU 27 2HD1 LEU 27 11.459 1.582 -1.323 213 3HD1 LEU 27 3HD1 LEU 27 11.708 0.572 0.101 214 1HD2 LEU 27 1HD2 LEU 27 13.061 -1.021 -1.407 215 2HD2 LEU 27 2HD2 LEU 27 12.722 0.037 -2.776 216 3HD2 LEU 27 3HD2 LEU 27 12.284 -1.669 -2.851 217 H ASP 28 H ASP 28 7.997 -3.150 -0.569 218 HA ASP 28 HA ASP 28 8.559 -5.682 0.806 219 1HB ASP 28 1HB ASP 28 8.935 -3.941 2.456 220 2HB ASP 28 2HB ASP 28 7.384 -3.200 2.073 221 H THR 29 H THR 29 6.886 -7.069 0.970 222 HA THR 29 HA THR 29 4.256 -6.138 0.022 223 HB THR 29 HB THR 29 5.477 -8.849 -0.517 224 HG1 THR 29 HG1 THR 29 5.954 -6.526 -1.710 225 1HG2 THR 29 1HG2 THR 29 3.052 -8.886 -0.424 226 2HG2 THR 29 2HG2 THR 29 3.596 -9.066 -2.092 227 3HG2 THR 29 3HG2 THR 29 2.968 -7.517 -1.531 228 H SER 30 H SER 30 2.838 -6.281 1.652 229 HA SER 30 HA SER 30 3.059 -8.564 3.489 230 1HB SER 30 1HB SER 30 2.609 -5.667 4.239 231 2HB SER 30 2HB SER 30 2.439 -7.022 5.355 232 HG SER 30 HG SER 30 4.791 -6.122 4.031 233 H GLY 31 H GLY 31 1.071 -9.129 4.581 234 1HA GLY 31 1HA GLY 31 -1.212 -9.356 4.795 235 2HA GLY 31 2HA GLY 31 -1.401 -7.862 3.889 236 H VAL 32 H VAL 32 -3.153 -8.759 2.754 237 HA VAL 32 HA VAL 32 -3.069 -11.137 1.260 238 HB VAL 32 HB VAL 32 -4.671 -8.657 0.609 239 1HG1 VAL 32 1HG1 VAL 32 -6.249 -10.235 -0.400 240 2HG1 VAL 32 2HG1 VAL 32 -5.140 -11.560 -0.044 241 3HG1 VAL 32 3HG1 VAL 32 -4.669 -10.297 -1.182 242 1HG2 VAL 32 1HG2 VAL 32 -5.340 -10.953 2.442 243 2HG2 VAL 32 2HG2 VAL 32 -6.450 -9.668 1.963 244 3HG2 VAL 32 3HG2 VAL 32 -5.021 -9.287 2.923 245 H ALA 33 H ALA 33 -1.610 -8.087 0.710 246 HA ALA 33 HA ALA 33 -1.500 -8.000 -2.088 247 1HB ALA 33 1HB ALA 33 -0.942 -6.106 -0.626 248 2HB ALA 33 2HB ALA 33 0.330 -6.438 -1.802 249 3HB ALA 33 3HB ALA 33 0.527 -6.942 -0.124 250 H LYS 34 H LYS 34 0.016 -10.127 0.098 251 HA LYS 34 HA LYS 34 2.366 -10.680 -1.422 252 1HB LYS 34 1HB LYS 34 0.966 -12.318 0.699 253 2HB LYS 34 2HB LYS 34 2.564 -12.649 0.054 254 1HG LYS 34 1HG LYS 34 3.371 -10.517 0.916 255 2HG LYS 34 2HG LYS 34 1.764 -10.169 1.555 256 1HD LYS 34 1HD LYS 34 3.512 -12.493 2.368 257 2HD LYS 34 2HD LYS 34 3.286 -11.008 3.294 258 1HE LYS 34 1HE LYS 34 0.899 -11.501 3.498 259 2HE LYS 34 2HE LYS 34 1.123 -12.981 2.565 260 1HZ LYS 34 1HZ LYS 34 2.387 -12.393 5.189 261 2HZ LYS 34 2HZ LYS 34 2.575 -13.819 4.296 262 3HZ LYS 34 3HZ LYS 34 1.063 -13.419 4.944 263 H VAL 35 H VAL 35 -0.888 -12.025 -1.288 264 HA VAL 35 HA VAL 35 -0.178 -14.054 -3.265 265 HB VAL 35 HB VAL 35 -2.441 -14.942 -2.955 266 1HG1 VAL 35 1HG1 VAL 35 -0.651 -15.725 -1.505 267 2HG1 VAL 35 2HG1 VAL 35 -2.190 -15.701 -0.645 268 3HG1 VAL 35 3HG1 VAL 35 -1.000 -14.432 -0.356 269 1HG2 VAL 35 1HG2 VAL 35 -2.790 -12.704 -0.961 270 2HG2 VAL 35 2HG2 VAL 35 -3.910 -14.043 -1.212 271 3HG2 VAL 35 3HG2 VAL 35 -3.635 -12.870 -2.500 272 H ILE 36 H ILE 36 -1.662 -10.962 -3.033 273 HA ILE 36 HA ILE 36 -3.039 -10.988 -5.519 274 HB ILE 36 HB ILE 36 -1.942 -8.751 -3.815 275 1HG1 ILE 36 1HG1 ILE 36 -4.803 -9.480 -4.470 276 2HG1 ILE 36 2HG1 ILE 36 -3.952 -10.088 -3.056 277 1HG2 ILE 36 1HG2 ILE 36 -1.865 -8.003 -6.127 278 2HG2 ILE 36 2HG2 ILE 36 -3.149 -7.173 -5.249 279 3HG2 ILE 36 3HG2 ILE 36 -3.545 -8.489 -6.357 280 1HD1 ILE 36 1HD1 ILE 36 -5.370 -8.199 -2.506 281 2HD1 ILE 36 2HD1 ILE 36 -4.508 -7.196 -3.674 282 3HD1 ILE 36 3HD1 ILE 36 -3.669 -7.809 -2.247 283 H GLU 37 H GLU 37 -2.329 -10.568 -7.546 284 HA GLU 37 HA GLU 37 0.427 -11.018 -8.078 285 1HB GLU 37 1HB GLU 37 -0.259 -10.565 -10.477 286 2HB GLU 37 2HB GLU 37 -1.070 -11.898 -9.672 287 1HG GLU 37 1HG GLU 37 -2.321 -9.185 -9.728 288 2HG GLU 37 2HG GLU 37 -2.434 -10.256 -11.125 289 H LYS 38 H LYS 38 1.967 -9.689 -8.944 290 HA LYS 38 HA LYS 38 1.652 -6.893 -8.288 291 1HB LYS 38 1HB LYS 38 3.984 -8.583 -9.134 292 2HB LYS 38 2HB LYS 38 4.095 -6.831 -9.170 293 1HG LYS 38 1HG LYS 38 5.024 -7.812 -7.116 294 2HG LYS 38 2HG LYS 38 3.688 -6.707 -6.800 295 1HD LYS 38 1HD LYS 38 2.181 -8.534 -6.428 296 2HD LYS 38 2HD LYS 38 3.391 -9.700 -6.957 297 1HE LYS 38 1HE LYS 38 4.793 -9.127 -5.043 298 2HE LYS 38 2HE LYS 38 3.605 -7.930 -4.527 299 1HZ LYS 38 1HZ LYS 38 2.922 -10.794 -4.844 300 2HZ LYS 38 2HZ LYS 38 2.062 -9.598 -4.002 301 3HZ LYS 38 3HZ LYS 38 3.539 -10.171 -3.394 302 H SER 39 H SER 39 0.102 -6.319 -9.816 303 HA SER 39 HA SER 39 0.642 -6.470 -12.634 304 1HB SER 39 1HB SER 39 -1.442 -4.970 -12.682 305 2HB SER 39 2HB SER 39 -1.644 -6.573 -11.974 306 HG SER 39 HG SER 39 -2.274 -4.335 -10.852 307 HA PRO 40 HA PRO 40 2.524 -2.416 -13.262 308 1HB PRO 40 1HB PRO 40 0.825 -0.983 -14.844 309 2HB PRO 40 2HB PRO 40 1.854 -2.286 -15.450 310 1HG PRO 40 1HG PRO 40 -1.043 -2.360 -14.692 311 2HG PRO 40 2HG PRO 40 -0.237 -3.065 -16.108 312 1HD PRO 40 1HD PRO 40 -0.894 -4.557 -13.980 313 2HD PRO 40 2HD PRO 40 0.594 -4.855 -14.901 314 H ILE 41 H ILE 41 1.077 -2.622 -10.851 315 HA ILE 41 HA ILE 41 -0.706 -0.551 -10.281 316 HB ILE 41 HB ILE 41 1.344 -1.805 -8.442 317 1HG1 ILE 41 1HG1 ILE 41 -1.560 -2.513 -8.908 318 2HG1 ILE 41 2HG1 ILE 41 -0.183 -3.429 -9.512 319 1HG2 ILE 41 1HG2 ILE 41 -1.177 -0.283 -7.785 320 2HG2 ILE 41 2HG2 ILE 41 0.476 0.281 -7.531 321 3HG2 ILE 41 3HG2 ILE 41 -0.135 -1.102 -6.621 322 1HD1 ILE 41 1HD1 ILE 41 -1.135 -4.466 -7.540 323 2HD1 ILE 41 2HD1 ILE 41 -0.876 -2.986 -6.618 324 3HD1 ILE 41 3HD1 ILE 41 0.506 -3.903 -7.221 325 H ALA 42 H ALA 42 2.792 -0.597 -10.459 326 HA ALA 42 HA ALA 42 3.382 1.809 -9.172 327 1HB ALA 42 1HB ALA 42 4.838 0.532 -11.481 328 2HB ALA 42 2HB ALA 42 5.073 0.152 -9.774 329 3HB ALA 42 3HB ALA 42 5.490 1.752 -10.388 330 H GLU 43 H GLU 43 2.284 1.161 -12.434 331 HA GLU 43 HA GLU 43 2.745 3.734 -13.516 332 1HB GLU 43 1HB GLU 43 2.296 1.703 -14.871 333 2HB GLU 43 2HB GLU 43 0.644 1.691 -14.273 334 1HG GLU 43 1HG GLU 43 0.775 2.615 -16.514 335 2HG GLU 43 2HG GLU 43 0.212 3.817 -15.354 336 H ILE 44 H ILE 44 0.124 2.295 -11.685 337 HA ILE 44 HA ILE 44 -1.567 4.608 -11.973 338 HB ILE 44 HB ILE 44 -1.965 2.482 -9.891 339 1HG1 ILE 44 1HG1 ILE 44 -1.489 1.291 -11.994 340 2HG1 ILE 44 2HG1 ILE 44 -3.179 1.124 -11.537 341 1HG2 ILE 44 1HG2 ILE 44 -3.467 4.381 -9.830 342 2HG2 ILE 44 2HG2 ILE 44 -4.347 2.955 -10.381 343 3HG2 ILE 44 3HG2 ILE 44 -3.837 4.179 -11.544 344 1HD1 ILE 44 1HD1 ILE 44 -2.947 1.479 -13.921 345 2HD1 ILE 44 2HD1 ILE 44 -2.090 2.994 -13.630 346 3HD1 ILE 44 3HD1 ILE 44 -3.787 2.836 -13.170 347 H ILE 45 H ILE 45 0.853 3.419 -9.775 348 HA ILE 45 HA ILE 45 0.299 5.020 -7.531 349 HB ILE 45 HB ILE 45 2.936 3.943 -8.544 350 1HG1 ILE 45 1HG1 ILE 45 1.057 3.020 -6.358 351 2HG1 ILE 45 2HG1 ILE 45 1.369 2.205 -7.888 352 1HG2 ILE 45 1HG2 ILE 45 3.821 4.424 -6.299 353 2HG2 ILE 45 2HG2 ILE 45 2.320 5.262 -5.905 354 3HG2 ILE 45 3HG2 ILE 45 3.371 5.889 -7.176 355 1HD1 ILE 45 1HD1 ILE 45 2.539 1.111 -6.077 356 2HD1 ILE 45 2HD1 ILE 45 3.350 2.620 -5.663 357 3HD1 ILE 45 3HD1 ILE 45 3.691 1.830 -7.205 358 H ARG 46 H ARG 46 2.421 5.589 -10.331 359 HA ARG 46 HA ARG 46 3.211 8.173 -9.549 360 1HB ARG 46 1HB ARG 46 3.785 8.429 -12.002 361 2HB ARG 46 2HB ARG 46 4.565 7.111 -11.146 362 1HG ARG 46 1HG ARG 46 2.814 5.599 -12.087 363 2HG ARG 46 2HG ARG 46 2.279 6.953 -13.084 364 1HD ARG 46 1HD ARG 46 5.058 5.777 -13.077 365 2HD ARG 46 2HD ARG 46 3.810 5.431 -14.273 366 HE ARG 46 HE ARG 46 4.657 8.209 -13.903 367 1HH1 ARG 46 1HH1 ARG 46 4.547 5.312 -15.858 368 2HH1 ARG 46 2HH1 ARG 46 5.125 6.098 -17.291 369 1HH2 ARG 46 1HH2 ARG 46 5.404 9.267 -15.798 370 2HH2 ARG 46 2HH2 ARG 46 5.603 8.352 -17.266 371 H LYS 47 H LYS 47 0.518 7.024 -11.559 372 HA LYS 47 HA LYS 47 -0.510 9.520 -12.302 373 1HB LYS 47 1HB LYS 47 -2.029 6.997 -11.603 374 2HB LYS 47 2HB LYS 47 -2.726 8.395 -12.406 375 1HG LYS 47 1HG LYS 47 -1.178 8.057 -14.284 376 2HG LYS 47 2HG LYS 47 -0.553 6.615 -13.481 377 1HD LYS 47 1HD LYS 47 -2.886 5.710 -13.484 378 2HD LYS 47 2HD LYS 47 -3.357 7.086 -14.482 379 1HE LYS 47 1HE LYS 47 -1.712 6.388 -16.175 380 2HE LYS 47 2HE LYS 47 -1.306 4.990 -15.181 381 1HZ LYS 47 1HZ LYS 47 -3.817 5.548 -16.637 382 2HZ LYS 47 2HZ LYS 47 -3.785 4.458 -15.342 383 3HZ LYS 47 3HZ LYS 47 -2.827 4.169 -16.710 384 H SER 48 H SER 48 -1.197 7.541 -9.436 385 HA SER 48 HA SER 48 -3.031 9.365 -8.290 386 1HB SER 48 1HB SER 48 -1.394 7.268 -6.854 387 2HB SER 48 2HB SER 48 -2.911 7.990 -6.320 388 HG SER 48 HG SER 48 -2.525 6.329 -8.597 389 H ASN 49 H ASN 49 0.436 9.065 -8.187 390 HA ASN 49 HA ASN 49 0.909 10.644 -5.902 391 1HB ASN 49 1HB ASN 49 2.708 9.325 -6.798 392 2HB ASN 49 2HB ASN 49 2.582 10.111 -8.367 393 1HD2 ASN 49 1HD2 ASN 49 3.628 11.997 -8.732 394 2HD2 ASN 49 2HD2 ASN 49 4.645 12.775 -7.565 395 H ALA 50 H ALA 50 0.370 11.399 -9.279 396 HA ALA 50 HA ALA 50 0.815 14.224 -8.975 397 1HB ALA 50 1HB ALA 50 -0.491 12.636 -11.184 398 2HB ALA 50 2HB ALA 50 1.186 13.182 -11.126 399 3HB ALA 50 3HB ALA 50 -0.120 14.359 -11.259 400 H GLU 51 H GLU 51 -1.841 12.027 -8.688 401 HA GLU 51 HA GLU 51 -3.939 13.936 -8.869 402 1HB GLU 51 1HB GLU 51 -3.887 11.170 -7.658 403 2HB GLU 51 2HB GLU 51 -5.340 12.121 -7.920 404 1HG GLU 51 1HG GLU 51 -3.464 11.194 -10.081 405 2HG GLU 51 2HG GLU 51 -4.986 10.417 -9.646 406 H LEU 52 H LEU 52 -2.125 12.539 -6.163 407 HA LEU 52 HA LEU 52 -3.500 14.355 -4.327 408 1HB LEU 52 1HB LEU 52 -3.911 12.427 -2.782 409 2HB LEU 52 2HB LEU 52 -4.884 12.434 -4.239 410 HG LEU 52 HG LEU 52 -3.209 10.801 -5.219 411 1HD1 LEU 52 1HD1 LEU 52 -2.409 10.505 -2.334 412 2HD1 LEU 52 2HD1 LEU 52 -1.402 11.175 -3.618 413 3HD1 LEU 52 3HD1 LEU 52 -1.894 9.482 -3.677 414 1HD2 LEU 52 1HD2 LEU 52 -4.890 10.034 -2.859 415 2HD2 LEU 52 2HD2 LEU 52 -4.204 8.900 -4.020 416 3HD2 LEU 52 3HD2 LEU 52 -5.385 10.100 -4.550 417 H GLY 53 H GLY 53 -2.642 13.789 -1.983 418 1HA GLY 53 1HA GLY 53 0.243 13.176 -2.117 419 2HA GLY 53 2HA GLY 53 -0.412 14.420 -1.058 420 H ARG 54 H ARG 54 -1.883 13.733 0.657 421 HA ARG 54 HA ARG 54 -0.890 11.258 1.826 422 1HB ARG 54 1HB ARG 54 -0.865 13.324 3.169 423 2HB ARG 54 2HB ARG 54 -2.614 13.434 3.035 424 1HG ARG 54 1HG ARG 54 -2.026 12.557 5.192 425 2HG ARG 54 2HG ARG 54 -2.815 11.296 4.243 426 1HD ARG 54 1HD ARG 54 -1.068 10.074 5.012 427 2HD ARG 54 2HD ARG 54 -0.281 10.772 3.597 428 HE ARG 54 HE ARG 54 -0.044 12.058 6.238 429 1HH1 ARG 54 1HH1 ARG 54 1.459 10.537 3.445 430 2HH1 ARG 54 2HH1 ARG 54 3.069 10.912 3.966 431 1HH2 ARG 54 1HH2 ARG 54 2.085 12.553 6.894 432 2HH2 ARG 54 2HH2 ARG 54 3.431 12.049 5.915 433 H LEU 55 H LEU 55 -3.543 12.151 -0.005 434 HA LEU 55 HA LEU 55 -5.472 10.462 1.322 435 1HB LEU 55 1HB LEU 55 -5.543 11.968 -1.287 436 2HB LEU 55 2HB LEU 55 -6.837 10.897 -0.784 437 HG LEU 55 HG LEU 55 -7.536 13.088 -0.242 438 1HD1 LEU 55 1HD1 LEU 55 -6.477 11.794 2.262 439 2HD1 LEU 55 2HD1 LEU 55 -8.016 11.447 1.474 440 3HD1 LEU 55 3HD1 LEU 55 -7.730 13.033 2.191 441 1HD2 LEU 55 1HD2 LEU 55 -4.892 13.493 1.148 442 2HD2 LEU 55 2HD2 LEU 55 -6.227 14.644 1.106 443 3HD2 LEU 55 3HD2 LEU 55 -5.383 14.217 -0.384 444 H GLY 56 H GLY 56 -6.613 8.742 0.026 445 1HA GLY 56 1HA GLY 56 -4.580 7.115 -1.352 446 2HA GLY 56 2HA GLY 56 -5.947 6.472 -0.455 447 H TYR 57 H TYR 57 -4.831 6.510 -3.360 448 HA TYR 57 HA TYR 57 -7.399 7.046 -4.715 449 1HB TYR 57 1HB TYR 57 -5.255 8.291 -5.402 450 2HB TYR 57 2HB TYR 57 -4.695 6.754 -6.031 451 HD1 TYR 57 HD1 TYR 57 -5.669 5.821 -8.056 452 HD2 TYR 57 HD2 TYR 57 -7.017 9.533 -6.478 453 HE1 TYR 57 HE1 TYR 57 -6.743 6.332 -10.204 454 HE2 TYR 57 HE2 TYR 57 -8.105 10.056 -8.618 455 HH TYR 57 HH TYR 57 -7.901 9.447 -10.970 456 H SER 58 H SER 58 -8.455 5.295 -5.544 457 HA SER 58 HA SER 58 -7.528 2.676 -5.072 458 1HB SER 58 1HB SER 58 -9.687 3.570 -7.000 459 2HB SER 58 2HB SER 58 -9.489 1.952 -6.325 460 HG SER 58 HG SER 58 -11.059 3.489 -5.289 461 H VAL 59 H VAL 59 -5.832 1.820 -6.041 462 HA VAL 59 HA VAL 59 -5.328 2.461 -8.863 463 HB VAL 59 HB VAL 59 -3.027 1.791 -8.503 464 1HG1 VAL 59 1HG1 VAL 59 -3.945 3.621 -6.293 465 2HG1 VAL 59 2HG1 VAL 59 -3.687 4.097 -7.973 466 3HG1 VAL 59 3HG1 VAL 59 -2.327 3.548 -6.993 467 1HG2 VAL 59 1HG2 VAL 59 -3.391 0.001 -6.877 468 2HG2 VAL 59 2HG2 VAL 59 -3.834 1.196 -5.658 469 3HG2 VAL 59 3HG2 VAL 59 -2.189 1.155 -6.296 470 H TYR 60 H TYR 60 -5.945 -0.159 -6.651 471 HA TYR 60 HA TYR 60 -6.016 -2.004 -8.944 472 1HB TYR 60 1HB TYR 60 -3.966 -2.470 -7.690 473 2HB TYR 60 2HB TYR 60 -4.881 -2.584 -6.192 474 HD1 TYR 60 HD1 TYR 60 -6.282 -4.555 -5.744 475 HD2 TYR 60 HD2 TYR 60 -3.902 -4.305 -9.262 476 HE1 TYR 60 HE1 TYR 60 -6.533 -6.974 -6.078 477 HE2 TYR 60 HE2 TYR 60 -4.150 -6.730 -9.608 478 HH TYR 60 HH TYR 60 -4.637 -8.765 -8.212 479 H GLU 61 H GLU 61 -8.158 -2.362 -9.181 480 HA GLU 61 HA GLU 61 -9.704 -2.866 -6.728 481 1HB GLU 61 1HB GLU 61 -10.536 -0.988 -8.052 482 2HB GLU 61 2HB GLU 61 -10.699 -2.034 -9.456 483 1HG GLU 61 1HG GLU 61 -12.352 -3.375 -8.220 484 2HG GLU 61 2HG GLU 61 -12.215 -2.253 -6.866 485 H ASP 62 H ASP 62 -10.184 -4.855 -6.317 486 HA ASP 62 HA ASP 62 -10.676 -6.731 -8.531 487 1HB ASP 62 1HB ASP 62 -8.562 -7.281 -7.373 488 2HB ASP 62 2HB ASP 62 -9.409 -7.308 -5.831 489 H ALA 63 H ALA 63 -12.240 -8.482 -7.864 490 HA ALA 63 HA ALA 63 -14.545 -7.362 -6.709 491 1HB ALA 63 1HB ALA 63 -14.554 -9.229 -8.329 492 2HB ALA 63 2HB ALA 63 -15.526 -9.557 -6.894 493 3HB ALA 63 3HB ALA 63 -13.932 -10.291 -7.065 494 H GLN 64 H GLN 64 -11.818 -8.924 -5.298 495 HA GLN 64 HA GLN 64 -13.188 -9.394 -2.766 496 1HB GLN 64 1HB GLN 64 -10.253 -9.733 -3.364 497 2HB GLN 64 2HB GLN 64 -11.163 -10.432 -2.034 498 1HG GLN 64 1HG GLN 64 -12.298 -11.924 -3.488 499 2HG GLN 64 2HG GLN 64 -11.664 -11.104 -4.918 500 1HE2 GLN 64 1HE2 GLN 64 -9.435 -11.262 -5.373 501 2HE2 GLN 64 2HE2 GLN 64 -8.512 -12.619 -4.808 502 H TYR 65 H TYR 65 -10.346 -7.538 -3.914 503 HA TYR 65 HA TYR 65 -10.670 -5.785 -1.569 504 1HB TYR 65 1HB TYR 65 -7.973 -6.668 -2.589 505 2HB TYR 65 2HB TYR 65 -8.345 -5.859 -1.072 506 HD1 TYR 65 HD1 TYR 65 -7.862 -9.003 -2.708 507 HD2 TYR 65 HD2 TYR 65 -9.682 -7.163 0.671 508 HE1 TYR 65 HE1 TYR 65 -8.007 -11.190 -1.595 509 HE2 TYR 65 HE2 TYR 65 -9.828 -9.347 1.791 510 HH TYR 65 HH TYR 65 -9.911 -11.767 1.104 511 H ILE 66 H ILE 66 -9.618 -3.716 -1.746 512 HA ILE 66 HA ILE 66 -8.982 -2.869 -4.484 513 HB ILE 66 HB ILE 66 -10.618 -1.274 -2.506 514 1HG1 ILE 66 1HG1 ILE 66 -11.406 -2.501 -5.157 515 2HG1 ILE 66 2HG1 ILE 66 -11.879 -3.103 -3.572 516 1HG2 ILE 66 1HG2 ILE 66 -9.746 -0.603 -5.316 517 2HG2 ILE 66 2HG2 ILE 66 -9.132 0.133 -3.836 518 3HG2 ILE 66 3HG2 ILE 66 -10.815 0.375 -4.310 519 1HD1 ILE 66 1HD1 ILE 66 -13.096 -1.017 -3.157 520 2HD1 ILE 66 2HD1 ILE 66 -13.679 -1.845 -4.601 521 3HD1 ILE 66 3HD1 ILE 66 -12.629 -0.436 -4.754 522 H GLY 67 H GLY 67 -7.057 -1.996 -4.591 523 1HA GLY 67 1HA GLY 67 -5.690 -1.217 -2.117 524 2HA GLY 67 2HA GLY 67 -4.922 -1.549 -3.663 525 H HIS 68 H HIS 68 -4.852 0.771 -1.758 526 HA HIS 68 HA HIS 68 -5.500 2.881 -3.710 527 1HB HIS 68 1HB HIS 68 -5.615 3.251 -0.707 528 2HB HIS 68 2HB HIS 68 -6.158 4.373 -1.945 529 HD1 HIS 68 HD1 HIS 68 -8.507 3.944 -2.995 530 HD2 HIS 68 HD2 HIS 68 -7.405 1.207 -0.056 531 HE1 HIS 68 HE1 HIS 68 -10.603 2.673 -2.426 532 HE2 HIS 68 HE2 HIS 68 -9.948 1.162 -0.519 533 H ALA 69 H ALA 69 -3.787 4.133 -4.246 534 HA ALA 69 HA ALA 69 -1.232 3.603 -2.993 535 1HB ALA 69 1HB ALA 69 -1.946 5.526 -5.199 536 2HB ALA 69 2HB ALA 69 -1.324 3.886 -5.401 537 3HB ALA 69 3HB ALA 69 -0.312 5.135 -4.670 538 H PHE 70 H PHE 70 -0.396 4.657 -1.362 539 HA PHE 70 HA PHE 70 -1.275 7.420 -0.833 540 1HB PHE 70 1HB PHE 70 -0.399 5.236 1.056 541 2HB PHE 70 2HB PHE 70 -0.474 6.927 1.535 542 HD1 PHE 70 HD1 PHE 70 -2.468 4.039 0.425 543 HD2 PHE 70 HD2 PHE 70 -2.520 7.973 2.034 544 HE1 PHE 70 HE1 PHE 70 -4.853 3.783 0.959 545 HE2 PHE 70 HE2 PHE 70 -4.904 7.725 2.572 546 HZ PHE 70 HZ PHE 70 -6.073 5.629 2.035 547 H LYS 71 H LYS 71 0.255 8.974 -0.565 548 HA LYS 71 HA LYS 71 3.011 8.289 -1.133 549 1HB LYS 71 1HB LYS 71 1.500 10.855 -0.818 550 2HB LYS 71 2HB LYS 71 3.245 10.865 -0.636 551 1HG LYS 71 1HG LYS 71 2.825 11.475 -2.859 552 2HG LYS 71 2HG LYS 71 3.364 9.800 -2.925 553 1HD LYS 71 1HD LYS 71 0.442 10.326 -2.741 554 2HD LYS 71 2HD LYS 71 1.247 10.652 -4.275 555 1HE LYS 71 1HE LYS 71 2.035 8.378 -4.397 556 2HE LYS 71 2HE LYS 71 1.399 8.033 -2.790 557 1HZ LYS 71 1HZ LYS 71 -0.031 7.218 -4.602 558 2HZ LYS 71 2HZ LYS 71 -0.273 8.813 -5.114 559 3HZ LYS 71 3HZ LYS 71 -0.825 8.320 -3.594 560 H LYS 72 H LYS 72 4.527 7.990 0.326 561 HA LYS 72 HA LYS 72 3.895 8.558 3.149 562 1HB LYS 72 1HB LYS 72 5.721 6.404 2.054 563 2HB LYS 72 2HB LYS 72 5.264 6.638 3.736 564 1HG LYS 72 1HG LYS 72 3.255 6.033 1.590 565 2HG LYS 72 2HG LYS 72 4.112 4.772 2.476 566 1HD LYS 72 1HD LYS 72 2.435 6.925 3.765 567 2HD LYS 72 2HD LYS 72 1.859 5.300 3.395 568 1HE LYS 72 1HE LYS 72 3.778 4.440 4.797 569 2HE LYS 72 2HE LYS 72 4.029 6.103 5.320 570 1HZ LYS 72 1HZ LYS 72 1.781 6.135 6.207 571 2HZ LYS 72 2HZ LYS 72 2.670 4.858 6.888 572 3HZ LYS 72 3HZ LYS 72 1.529 4.541 5.680 573 H ALA 73 H ALA 73 6.314 8.318 4.312 574 HA ALA 73 HA ALA 73 7.606 10.730 3.647 575 1HB ALA 73 1HB ALA 73 7.647 9.804 5.896 576 2HB ALA 73 2HB ALA 73 9.282 10.090 5.298 577 3HB ALA 73 3HB ALA 73 8.630 8.453 5.330 578 H GLY 74 H GLY 74 8.189 10.684 1.490 579 1HA GLY 74 1HA GLY 74 9.742 10.522 -0.195 580 2HA GLY 74 2HA GLY 74 10.820 9.744 0.952 581 H HIS 75 H HIS 75 7.728 8.298 0.561 582 HA HIS 75 HA HIS 75 8.690 6.396 -1.422 583 1HB HIS 75 1HB HIS 75 8.333 5.773 1.460 584 2HB HIS 75 2HB HIS 75 7.773 4.570 0.302 585 HD1 HIS 75 HD1 HIS 75 10.308 4.360 2.296 586 HD2 HIS 75 HD2 HIS 75 10.361 5.058 -1.801 587 HE1 HIS 75 HE1 HIS 75 12.573 3.602 1.508 588 HE2 HIS 75 HE2 HIS 75 12.549 3.944 -0.996 589 H PHE 76 H PHE 76 6.934 4.634 -1.736 590 HA PHE 76 HA PHE 76 4.277 5.904 -1.611 591 1HB PHE 76 1HB PHE 76 5.427 4.272 -3.890 592 2HB PHE 76 2HB PHE 76 3.801 4.950 -3.830 593 HD1 PHE 76 HD1 PHE 76 3.683 7.542 -3.532 594 HD2 PHE 76 HD2 PHE 76 7.097 5.432 -4.949 595 HE1 PHE 76 HE1 PHE 76 4.510 9.599 -4.599 596 HE2 PHE 76 HE2 PHE 76 7.929 7.487 -6.014 597 HZ PHE 76 HZ PHE 76 6.636 9.574 -5.839 598 H ILE 77 H ILE 77 2.746 4.597 -0.686 599 HA ILE 77 HA ILE 77 3.283 1.706 -0.748 600 HB ILE 77 HB ILE 77 2.312 3.251 1.662 601 1HG1 ILE 77 1HG1 ILE 77 4.852 1.699 1.115 602 2HG1 ILE 77 2HG1 ILE 77 4.711 3.435 1.352 603 1HG2 ILE 77 1HG2 ILE 77 2.703 0.274 1.323 604 2HG2 ILE 77 2HG2 ILE 77 1.152 1.106 1.446 605 3HG2 ILE 77 3HG2 ILE 77 2.261 1.098 2.820 606 1HD1 ILE 77 1HD1 ILE 77 4.195 1.315 3.423 607 2HD1 ILE 77 2HD1 ILE 77 4.008 3.050 3.667 608 3HD1 ILE 77 3HD1 ILE 77 5.602 2.374 3.331 609 H VAL 78 H VAL 78 1.617 0.471 -1.277 610 HA VAL 78 HA VAL 78 -0.980 1.778 -1.719 611 HB VAL 78 HB VAL 78 0.082 -0.800 -2.895 612 1HG1 VAL 78 1HG1 VAL 78 -2.333 -0.835 -2.726 613 2HG1 VAL 78 2HG1 VAL 78 -1.854 -0.634 -4.412 614 3HG1 VAL 78 3HG1 VAL 78 -2.434 0.752 -3.487 615 1HG2 VAL 78 1HG2 VAL 78 0.254 0.454 -4.992 616 2HG2 VAL 78 2HG2 VAL 78 1.292 1.137 -3.740 617 3HG2 VAL 78 3HG2 VAL 78 -0.231 1.925 -4.150 618 H TYR 79 H TYR 79 -2.379 1.438 -0.131 619 HA TYR 79 HA TYR 79 -2.204 -0.989 1.468 620 1HB TYR 79 1HB TYR 79 -3.794 1.559 1.797 621 2HB TYR 79 2HB TYR 79 -3.925 0.180 2.877 622 HD1 TYR 79 HD1 TYR 79 -2.323 -0.196 4.588 623 HD2 TYR 79 HD2 TYR 79 -1.626 2.808 1.659 624 HE1 TYR 79 HE1 TYR 79 -0.443 0.660 5.920 625 HE2 TYR 79 HE2 TYR 79 0.261 3.665 2.980 626 HH TYR 79 HH TYR 79 1.589 1.949 5.627 627 H PHE 80 H PHE 80 -3.485 -2.665 1.140 628 HA PHE 80 HA PHE 80 -5.697 -2.405 -0.751 629 1HB PHE 80 1HB PHE 80 -4.192 -4.802 0.310 630 2HB PHE 80 2HB PHE 80 -5.584 -4.915 -0.752 631 HD1 PHE 80 HD1 PHE 80 -2.080 -3.845 -0.504 632 HD2 PHE 80 HD2 PHE 80 -5.407 -4.464 -3.085 633 HE1 PHE 80 HE1 PHE 80 -0.602 -3.631 -2.459 634 HE2 PHE 80 HE2 PHE 80 -3.934 -4.250 -5.041 635 HZ PHE 80 HZ PHE 80 -1.528 -3.836 -4.730 636 H THR 81 H THR 81 -7.669 -2.213 0.023 637 HA THR 81 HA THR 81 -8.270 -3.280 2.707 638 HB THR 81 HB THR 81 -10.190 -1.702 2.696 639 HG1 THR 81 HG1 THR 81 -9.321 -1.352 0.098 640 1HG2 THR 81 1HG2 THR 81 -8.091 -1.027 3.735 641 2HG2 THR 81 2HG2 THR 81 -8.879 0.355 2.974 642 3HG2 THR 81 3HG2 THR 81 -7.505 -0.421 2.186 643 HA PRO 82 HA PRO 82 -11.117 -6.188 0.903 644 1HB PRO 82 1HB PRO 82 -12.999 -6.397 2.837 645 2HB PRO 82 2HB PRO 82 -11.368 -7.055 3.021 646 1HG PRO 82 1HG PRO 82 -12.506 -4.489 4.064 647 2HG PRO 82 2HG PRO 82 -11.472 -5.673 4.887 648 1HD PRO 82 1HD PRO 82 -10.509 -3.372 3.822 649 2HD PRO 82 2HD PRO 82 -9.552 -4.864 3.908 650 H LYS 83 H LYS 83 -11.486 -3.870 -0.358 651 HA LYS 83 HA LYS 83 -12.911 -2.608 -1.565 652 1HB LYS 83 1HB LYS 83 -14.546 -4.972 -0.900 653 2HB LYS 83 2HB LYS 83 -15.444 -3.544 -1.397 654 1HG LYS 83 1HG LYS 83 -14.045 -3.431 -3.436 655 2HG LYS 83 2HG LYS 83 -13.284 -4.946 -2.951 656 1HD LYS 83 1HD LYS 83 -15.285 -6.154 -3.206 657 2HD LYS 83 2HD LYS 83 -16.259 -4.682 -3.271 658 1HE LYS 83 1HE LYS 83 -14.208 -5.462 -5.339 659 2HE LYS 83 2HE LYS 83 -15.933 -5.797 -5.480 660 1HZ LYS 83 1HZ LYS 83 -14.651 -3.128 -5.336 661 2HZ LYS 83 2HZ LYS 83 -16.324 -3.379 -5.323 662 3HZ LYS 83 3HZ LYS 83 -15.408 -3.815 -6.685 663 H ASN 84 H ASN 84 -12.449 -1.988 1.249 664 HA ASN 84 HA ASN 84 -14.811 -0.768 2.275 665 1HB ASN 84 1HB ASN 84 -12.877 -1.230 3.730 666 2HB ASN 84 2HB ASN 84 -11.897 -0.104 2.797 667 1HD2 ASN 84 1HD2 ASN 84 -12.322 2.129 2.962 668 2HD2 ASN 84 2HD2 ASN 84 -13.181 2.780 4.312 669 H LYS 85 H LYS 85 -15.829 0.491 0.794 670 HA LYS 85 HA LYS 85 -14.256 2.514 -0.629 671 1HB LYS 85 1HB LYS 85 -15.656 0.958 -1.960 672 2HB LYS 85 2HB LYS 85 -17.083 1.563 -1.132 673 1HG LYS 85 1HG LYS 85 -16.614 3.809 -2.055 674 2HG LYS 85 2HG LYS 85 -15.269 3.116 -2.964 675 1HD LYS 85 1HD LYS 85 -16.814 1.603 -4.104 676 2HD LYS 85 2HD LYS 85 -18.160 2.282 -3.185 677 1HE LYS 85 1HE LYS 85 -17.655 4.496 -4.182 678 2HE LYS 85 2HE LYS 85 -16.418 3.727 -5.175 679 1HZ LYS 85 1HZ LYS 85 -18.157 2.303 -6.123 680 2HZ LYS 85 2HZ LYS 85 -18.439 3.949 -6.423 681 3HZ LYS 85 3HZ LYS 85 -19.329 3.142 -5.224 682 H ASN 86 H ASN 86 -17.695 2.597 0.256 683 HA ASN 86 HA ASN 86 -17.148 4.946 1.921 684 1HB ASN 86 1HB ASN 86 -18.975 6.212 0.898 685 2HB ASN 86 2HB ASN 86 -17.751 5.811 -0.298 686 1HD2 ASN 86 1HD2 ASN 86 -21.017 5.360 0.721 687 2HD2 ASN 86 2HD2 ASN 86 -21.560 4.491 -0.672 688 H ARG 87 H ARG 87 -17.968 4.616 3.845 689 HA ARG 87 HA ARG 87 -20.662 3.496 4.053 690 1HB ARG 87 1HB ARG 87 -18.271 2.567 5.644 691 2HB ARG 87 2HB ARG 87 -19.929 2.252 6.130 692 1HG ARG 87 1HG ARG 87 -20.199 1.153 3.838 693 2HG ARG 87 2HG ARG 87 -18.436 1.189 3.762 694 1HD ARG 87 1HD ARG 87 -19.238 -0.949 4.631 695 2HD ARG 87 2HD ARG 87 -18.314 -0.071 5.850 696 HE ARG 87 HE ARG 87 -20.772 0.687 6.489 697 1HH1 ARG 87 1HH1 ARG 87 -19.513 -2.501 5.747 698 2HH1 ARG 87 2HH1 ARG 87 -20.748 -3.334 6.644 699 1HH2 ARG 87 1HH2 ARG 87 -22.389 -0.393 7.659 700 2HH2 ARG 87 2HH2 ARG 87 -22.375 -2.131 7.762 701 H GLU 88 H GLU 88 -18.231 4.361 6.484 702 HA GLU 88 HA GLU 88 -19.622 6.783 7.197 703 1HB GLU 88 1HB GLU 88 -21.016 5.059 8.249 704 2HB GLU 88 2HB GLU 88 -19.602 4.395 9.050 705 1HG GLU 88 1HG GLU 88 -19.349 6.446 10.330 706 2HG GLU 88 2HG GLU 88 -20.750 7.137 9.510 707 H GLY 89 H GLY 89 -18.121 8.192 7.813 708 1HA GLY 89 1HA GLY 89 -16.352 9.036 9.064 709 2HA GLY 89 2HA GLY 89 -16.025 7.414 9.654 710 H VAL 90 H VAL 90 -16.300 7.244 6.374 711 HA VAL 90 HA VAL 90 -13.417 6.954 6.111 712 HB VAL 90 HB VAL 90 -13.912 5.927 3.925 713 1HG1 VAL 90 1HG1 VAL 90 -13.866 4.534 5.930 714 2HG1 VAL 90 2HG1 VAL 90 -15.041 3.928 4.763 715 3HG1 VAL 90 3HG1 VAL 90 -15.586 4.827 6.179 716 1HG2 VAL 90 1HG2 VAL 90 -16.244 5.486 3.280 717 2HG2 VAL 90 2HG2 VAL 90 -15.882 7.213 3.316 718 3HG2 VAL 90 3HG2 VAL 90 -16.793 6.476 4.634 719 H VAL 91 H VAL 91 -15.454 9.466 5.806 720 HA VAL 91 HA VAL 91 -14.615 10.489 3.260 721 HB VAL 91 HB VAL 91 -15.797 12.587 3.990 722 1HG1 VAL 91 1HG1 VAL 91 -17.355 10.008 4.126 723 2HG1 VAL 91 2HG1 VAL 91 -16.907 10.879 2.659 724 3HG1 VAL 91 3HG1 VAL 91 -18.035 11.602 3.805 725 1HG2 VAL 91 1HG2 VAL 91 -15.540 12.355 6.406 726 2HG2 VAL 91 2HG2 VAL 91 -16.532 10.897 6.383 727 3HG2 VAL 91 3HG2 VAL 91 -17.246 12.455 5.968 728 HA PRO 92 HA PRO 92 -10.788 12.162 4.792 729 1HB PRO 92 1HB PRO 92 -10.105 13.431 2.491 730 2HB PRO 92 2HB PRO 92 -9.932 11.687 2.712 731 1HG PRO 92 1HG PRO 92 -12.135 13.213 1.365 732 2HG PRO 92 2HG PRO 92 -11.287 11.756 0.810 733 1HD PRO 92 1HD PRO 92 -13.705 11.607 1.965 734 2HD PRO 92 2HD PRO 92 -12.465 10.370 2.247 735 HA PRO 93 HA PRO 93 -12.018 16.400 5.689 736 1HB PRO 93 1HB PRO 93 -9.400 16.658 6.936 737 2HB PRO 93 2HB PRO 93 -10.993 16.691 7.696 738 1HG PRO 93 1HG PRO 93 -9.215 14.662 8.049 739 2HG PRO 93 2HG PRO 93 -10.973 14.444 8.137 740 1HD PRO 93 1HD PRO 93 -9.092 13.813 5.895 741 2HD PRO 93 2HD PRO 93 -10.493 12.894 6.484 742 H VAL 94 H VAL 94 -11.898 17.536 3.830 743 HA VAL 94 HA VAL 94 -9.807 17.323 1.994 744 HB VAL 94 HB VAL 94 -10.864 19.233 0.834 745 1HG1 VAL 94 1HG1 VAL 94 -12.741 17.096 1.830 746 2HG1 VAL 94 2HG1 VAL 94 -11.662 16.979 0.441 747 3HG1 VAL 94 3HG1 VAL 94 -13.015 18.111 0.413 748 1HG2 VAL 94 1HG2 VAL 94 -12.958 20.165 1.727 749 2HG2 VAL 94 2HG2 VAL 94 -11.570 20.547 2.749 750 3HG2 VAL 94 3HG2 VAL 94 -12.695 19.275 3.228 751 H GLY 95 H GLY 95 -7.968 18.345 1.689 752 1HA GLY 95 1HA GLY 95 -6.374 20.023 1.773 753 2HA GLY 95 2HA GLY 95 -7.484 20.995 2.725 754 H ILE 96 H ILE 96 -7.925 19.693 4.969 755 HA ILE 96 HA ILE 96 -5.268 19.771 6.186 756 HB ILE 96 HB ILE 96 -7.971 19.885 7.533 757 1HG1 ILE 96 1HG1 ILE 96 -7.613 21.837 6.102 758 2HG1 ILE 96 2HG1 ILE 96 -7.500 22.296 7.798 759 1HG2 ILE 96 1HG2 ILE 96 -6.160 19.043 8.969 760 2HG2 ILE 96 2HG2 ILE 96 -6.757 20.614 9.500 761 3HG2 ILE 96 3HG2 ILE 96 -5.228 20.501 8.630 762 1HD1 ILE 96 1HD1 ILE 96 -5.049 22.245 7.620 763 2HD1 ILE 96 2HD1 ILE 96 -5.790 23.405 6.518 764 3HD1 ILE 96 3HD1 ILE 96 -5.202 21.859 5.906 765 H THR 97 H THR 97 -4.424 17.772 5.934 766 HA THR 97 HA THR 97 -4.996 15.886 7.915 767 HB THR 97 HB THR 97 -6.938 15.272 6.543 768 HG1 THR 97 HG1 THR 97 -6.371 13.421 7.424 769 1HG2 THR 97 1HG2 THR 97 -4.924 14.658 4.374 770 2HG2 THR 97 2HG2 THR 97 -6.133 15.943 4.342 771 3HG2 THR 97 3HG2 THR 97 -6.641 14.254 4.324 772 H ASN 98 H ASN 98 -3.171 14.758 8.285 773 HA ASN 98 HA ASN 98 -1.457 13.855 6.198 774 1HB ASN 98 1HB ASN 98 0.516 15.141 6.650 775 2HB ASN 98 2HB ASN 98 -0.792 16.276 6.342 776 1HD2 ASN 98 1HD2 ASN 98 -1.587 17.519 8.037 777 2HD2 ASN 98 2HD2 ASN 98 -0.718 17.717 9.518 Start of MODEL 5 1 H MET 1 H MET 1 -20.981 6.101 -5.745 2 HA MET 1 HA MET 1 -19.292 8.519 -5.505 3 1HB MET 1 1HB MET 1 -20.928 6.963 -3.498 4 2HB MET 1 2HB MET 1 -19.682 8.110 -3.034 5 1HG MET 1 1HG MET 1 -21.824 9.162 -2.884 6 2HG MET 1 2HG MET 1 -20.916 9.884 -4.210 7 1HE MET 1 1HE MET 1 -23.213 10.984 -5.048 8 2HE MET 1 2HE MET 1 -24.079 10.190 -3.734 9 3HE MET 1 3HE MET 1 -24.666 10.048 -5.391 10 H LYS 2 H LYS 2 -17.224 8.041 -5.553 11 HA LYS 2 HA LYS 2 -16.328 5.421 -4.569 12 1HB LYS 2 1HB LYS 2 -15.606 6.179 -6.862 13 2HB LYS 2 2HB LYS 2 -14.732 7.493 -6.091 14 1HG LYS 2 1HG LYS 2 -13.180 5.756 -6.594 15 2HG LYS 2 2HG LYS 2 -13.405 5.797 -4.845 16 1HD LYS 2 1HD LYS 2 -13.393 3.503 -5.589 17 2HD LYS 2 2HD LYS 2 -15.020 3.930 -5.053 18 1HE LYS 2 1HE LYS 2 -15.690 4.279 -7.386 19 2HE LYS 2 2HE LYS 2 -14.065 3.847 -7.915 20 1HZ LYS 2 1HZ LYS 2 -14.367 1.633 -7.052 21 2HZ LYS 2 2HZ LYS 2 -15.659 1.999 -8.091 22 3HZ LYS 2 3HZ LYS 2 -15.885 2.042 -6.412 23 H SER 3 H SER 3 -15.889 5.472 -2.472 24 HA SER 3 HA SER 3 -15.649 7.846 -1.001 25 1HB SER 3 1HB SER 3 -14.933 5.035 -0.145 26 2HB SER 3 2HB SER 3 -15.313 6.393 0.916 27 HG SER 3 HG SER 3 -17.409 6.447 -0.187 28 H SER 4 H SER 4 -13.982 9.165 -0.964 29 HA SER 4 HA SER 4 -11.252 8.181 -1.202 30 1HB SER 4 1HB SER 4 -10.704 10.651 -1.076 31 2HB SER 4 2HB SER 4 -11.733 10.196 -2.437 32 HG SER 4 HG SER 4 -12.859 11.038 0.008 33 H ILE 5 H ILE 5 -9.942 7.873 0.535 34 HA ILE 5 HA ILE 5 -10.895 8.800 3.153 35 HB ILE 5 HB ILE 5 -10.038 5.969 2.516 36 1HG1 ILE 5 1HG1 ILE 5 -12.751 7.061 3.294 37 2HG1 ILE 5 2HG1 ILE 5 -12.295 6.511 1.686 38 1HG2 ILE 5 1HG2 ILE 5 -9.348 6.652 4.756 39 2HG2 ILE 5 2HG2 ILE 5 -10.639 5.453 4.831 40 3HG2 ILE 5 3HG2 ILE 5 -10.997 7.156 5.119 41 1HD1 ILE 5 1HD1 ILE 5 -12.416 4.803 4.159 42 2HD1 ILE 5 2HD1 ILE 5 -11.989 4.254 2.538 43 3HD1 ILE 5 3HD1 ILE 5 -13.617 4.850 2.867 44 HA PRO 6 HA PRO 6 -6.563 9.798 3.626 45 1HB PRO 6 1HB PRO 6 -6.555 10.278 6.292 46 2HB PRO 6 2HB PRO 6 -7.233 11.411 5.117 47 1HG PRO 6 1HG PRO 6 -8.632 9.418 6.857 48 2HG PRO 6 2HG PRO 6 -9.087 11.090 6.482 49 1HD PRO 6 1HD PRO 6 -10.222 8.944 5.265 50 2HD PRO 6 2HD PRO 6 -10.022 10.514 4.462 51 H ILE 7 H ILE 7 -4.658 9.033 4.754 52 HA ILE 7 HA ILE 7 -4.582 6.222 4.783 53 HB ILE 7 HB ILE 7 -2.642 7.549 4.136 54 1HG1 ILE 7 1HG1 ILE 7 -0.918 6.274 5.355 55 2HG1 ILE 7 2HG1 ILE 7 -2.122 5.817 6.559 56 1HG2 ILE 7 1HG2 ILE 7 -2.466 8.317 7.044 57 2HG2 ILE 7 2HG2 ILE 7 -2.843 9.391 5.698 58 3HG2 ILE 7 3HG2 ILE 7 -1.243 8.656 5.820 59 1HD1 ILE 7 1HD1 ILE 7 -2.177 5.079 3.644 60 2HD1 ILE 7 2HD1 ILE 7 -3.379 4.621 4.850 61 3HD1 ILE 7 3HD1 ILE 7 -1.726 4.020 4.982 62 H THR 8 H THR 8 -4.952 8.553 7.364 63 HA THR 8 HA THR 8 -4.226 6.988 9.549 64 HB THR 8 HB THR 8 -4.691 9.381 9.765 65 HG1 THR 8 HG1 THR 8 -6.585 8.029 11.393 66 1HG2 THR 8 1HG2 THR 8 -6.992 10.223 9.839 67 2HG2 THR 8 2HG2 THR 8 -7.591 8.628 9.386 68 3HG2 THR 8 3HG2 THR 8 -6.606 9.555 8.255 69 H GLU 9 H GLU 9 -7.056 6.820 7.542 70 HA GLU 9 HA GLU 9 -8.336 4.949 9.397 71 1HB GLU 9 1HB GLU 9 -9.338 6.240 6.857 72 2HB GLU 9 2HB GLU 9 -10.257 5.080 7.805 73 1HG GLU 9 1HG GLU 9 -9.301 7.768 8.765 74 2HG GLU 9 2HG GLU 9 -10.943 7.376 8.254 75 H VAL 10 H VAL 10 -7.073 5.181 6.101 76 HA VAL 10 HA VAL 10 -7.886 2.606 5.276 77 HB VAL 10 HB VAL 10 -5.665 4.355 4.211 78 1HG1 VAL 10 1HG1 VAL 10 -5.790 2.985 2.181 79 2HG1 VAL 10 2HG1 VAL 10 -6.947 1.918 2.975 80 3HG1 VAL 10 3HG1 VAL 10 -5.293 2.028 3.579 81 1HG2 VAL 10 1HG2 VAL 10 -7.836 5.399 4.036 82 2HG2 VAL 10 2HG2 VAL 10 -8.517 3.936 3.327 83 3HG2 VAL 10 3HG2 VAL 10 -7.313 4.867 2.439 84 H LEU 11 H LEU 11 -4.956 3.768 6.850 85 HA LEU 11 HA LEU 11 -3.284 1.603 6.437 86 1HB LEU 11 1HB LEU 11 -2.287 3.475 7.371 87 2HB LEU 11 2HB LEU 11 -3.514 3.646 8.609 88 HG LEU 11 HG LEU 11 -2.602 1.671 9.768 89 1HD1 LEU 11 1HD1 LEU 11 -0.441 1.791 7.670 90 2HD1 LEU 11 2HD1 LEU 11 -1.640 0.512 7.864 91 3HD1 LEU 11 3HD1 LEU 11 -0.424 0.779 9.113 92 1HD2 LEU 11 1HD2 LEU 11 -1.877 3.890 10.425 93 2HD2 LEU 11 2HD2 LEU 11 -0.606 3.859 9.202 94 3HD2 LEU 11 3HD2 LEU 11 -0.542 2.745 10.566 95 HA PRO 12 HA PRO 12 -4.850 -0.651 10.393 96 1HB PRO 12 1HB PRO 12 -7.121 0.275 11.591 97 2HB PRO 12 2HB PRO 12 -5.492 0.755 12.074 98 1HG PRO 12 1HG PRO 12 -7.451 2.194 10.336 99 2HG PRO 12 2HG PRO 12 -6.392 2.837 11.603 100 1HD PRO 12 1HD PRO 12 -5.802 3.067 8.985 101 2HD PRO 12 2HD PRO 12 -4.550 2.871 10.225 102 H ARG 13 H ARG 13 -7.153 0.727 8.137 103 HA ARG 13 HA ARG 13 -8.956 -1.537 8.358 104 1HB ARG 13 1HB ARG 13 -8.980 0.962 6.671 105 2HB ARG 13 2HB ARG 13 -10.187 -0.304 6.523 106 1HG ARG 13 1HG ARG 13 -10.936 0.049 8.766 107 2HG ARG 13 2HG ARG 13 -9.609 1.167 9.080 108 1HD ARG 13 1HD ARG 13 -11.693 2.368 8.691 109 2HD ARG 13 2HD ARG 13 -10.512 2.719 7.432 110 HE ARG 13 HE ARG 13 -11.815 0.941 6.128 111 1HH1 ARG 13 1HH1 ARG 13 -13.245 3.091 8.492 112 2HH1 ARG 13 2HH1 ARG 13 -14.801 3.105 7.724 113 1HH2 ARG 13 1HH2 ARG 13 -13.877 0.994 5.093 114 2HH2 ARG 13 2HH2 ARG 13 -15.162 1.908 5.819 115 H ALA 14 H ALA 14 -6.065 -1.249 6.975 116 HA ALA 14 HA ALA 14 -6.724 -2.454 4.409 117 1HB ALA 14 1HB ALA 14 -4.973 -0.757 4.466 118 2HB ALA 14 2HB ALA 14 -4.325 -2.315 3.951 119 3HB ALA 14 3HB ALA 14 -4.042 -1.742 5.596 120 H VAL 15 H VAL 15 -6.041 -4.500 3.772 121 HA VAL 15 HA VAL 15 -5.361 -6.334 5.982 122 HB VAL 15 HB VAL 15 -6.404 -8.130 4.598 123 1HG1 VAL 15 1HG1 VAL 15 -7.646 -7.120 6.419 124 2HG1 VAL 15 2HG1 VAL 15 -8.728 -7.489 5.074 125 3HG1 VAL 15 3HG1 VAL 15 -8.201 -5.829 5.351 126 1HG2 VAL 15 1HG2 VAL 15 -7.318 -5.806 2.902 127 2HG2 VAL 15 2HG2 VAL 15 -7.930 -7.456 2.778 128 3HG2 VAL 15 3HG2 VAL 15 -6.239 -7.113 2.409 129 H GLY 16 H GLY 16 -4.053 -4.779 3.450 130 1HA GLY 16 1HA GLY 16 -1.801 -6.542 3.318 131 2HA GLY 16 2HA GLY 16 -2.728 -6.508 1.819 132 H SER 17 H SER 17 -0.003 -5.505 2.367 133 HA SER 17 HA SER 17 -0.445 -2.786 1.416 134 1HB SER 17 1HB SER 17 1.387 -3.420 3.740 135 2HB SER 17 2HB SER 17 1.120 -1.830 3.024 136 HG SER 17 HG SER 17 -0.100 -2.342 5.000 137 H LEU 18 H LEU 18 0.820 -2.324 -0.236 138 HA LEU 18 HA LEU 18 3.234 -3.947 -0.656 139 1HB LEU 18 1HB LEU 18 1.286 -2.673 -2.509 140 2HB LEU 18 2HB LEU 18 2.959 -2.780 -3.015 141 HG LEU 18 HG LEU 18 1.271 -5.131 -2.181 142 1HD1 LEU 18 1HD1 LEU 18 0.477 -4.178 -4.278 143 2HD1 LEU 18 2HD1 LEU 18 1.277 -5.727 -4.551 144 3HD1 LEU 18 3HD1 LEU 18 2.117 -4.221 -4.926 145 1HD2 LEU 18 1HD2 LEU 18 3.676 -5.408 -1.772 146 2HD2 LEU 18 2HD2 LEU 18 3.993 -5.014 -3.463 147 3HD2 LEU 18 3HD2 LEU 18 3.092 -6.474 -3.051 148 H THR 19 H THR 19 5.057 -2.980 -0.174 149 HA THR 19 HA THR 19 5.160 -0.061 -0.021 150 HB THR 19 HB THR 19 7.298 -2.021 0.812 151 HG1 THR 19 HG1 THR 19 5.800 -2.578 2.246 152 1HG2 THR 19 1HG2 THR 19 6.731 0.833 1.616 153 2HG2 THR 19 2HG2 THR 19 8.046 0.287 0.577 154 3HG2 THR 19 3HG2 THR 19 8.012 -0.181 2.278 155 H PHE 20 H PHE 20 5.877 1.014 -1.721 156 HA PHE 20 HA PHE 20 7.773 -0.301 -3.540 157 1HB PHE 20 1HB PHE 20 5.574 1.683 -4.012 158 2HB PHE 20 2HB PHE 20 6.937 1.612 -5.120 159 HD1 PHE 20 HD1 PHE 20 4.687 -0.845 -3.422 160 HD2 PHE 20 HD2 PHE 20 6.555 0.450 -7.016 161 HE1 PHE 20 HE1 PHE 20 3.592 -2.675 -4.651 162 HE2 PHE 20 HE2 PHE 20 5.470 -1.380 -8.247 163 HZ PHE 20 HZ PHE 20 3.985 -2.938 -7.061 164 H ASP 21 H ASP 21 9.389 0.976 -4.490 165 HA ASP 21 HA ASP 21 10.564 2.846 -2.622 166 1HB ASP 21 1HB ASP 21 11.916 1.034 -3.578 167 2HB ASP 21 2HB ASP 21 11.587 1.623 -5.199 168 H GLU 22 H GLU 22 11.731 4.782 -3.620 169 HA GLU 22 HA GLU 22 9.896 6.539 -4.801 170 1HB GLU 22 1HB GLU 22 11.950 7.990 -5.109 171 2HB GLU 22 2HB GLU 22 11.634 7.451 -3.467 172 1HG GLU 22 1HG GLU 22 13.293 5.639 -3.803 173 2HG GLU 22 2HG GLU 22 13.663 6.326 -5.384 174 H ASN 23 H ASN 23 12.196 4.310 -6.183 175 HA ASN 23 HA ASN 23 11.917 5.417 -8.851 176 1HB ASN 23 1HB ASN 23 13.309 2.923 -7.842 177 2HB ASN 23 2HB ASN 23 13.332 3.477 -9.506 178 1HD2 ASN 23 1HD2 ASN 23 14.408 4.131 -6.257 179 2HD2 ASN 23 2HD2 ASN 23 15.650 5.256 -6.699 180 H TYR 24 H TYR 24 9.841 3.937 -7.007 181 HA TYR 24 HA TYR 24 7.896 2.849 -7.316 182 1HB TYR 24 1HB TYR 24 8.542 3.080 -10.259 183 2HB TYR 24 2HB TYR 24 6.977 2.648 -9.582 184 HD1 TYR 24 HD1 TYR 24 9.148 5.327 -10.543 185 HD2 TYR 24 HD2 TYR 24 5.782 4.360 -8.135 186 HE1 TYR 24 HE1 TYR 24 8.550 7.708 -10.436 187 HE2 TYR 24 HE2 TYR 24 5.172 6.739 -8.020 188 HH TYR 24 HH TYR 24 6.402 8.966 -8.240 189 H ASN 25 H ASN 25 10.383 1.343 -6.982 190 HA ASN 25 HA ASN 25 9.621 -1.166 -8.312 191 1HB ASN 25 1HB ASN 25 12.168 -0.460 -6.831 192 2HB ASN 25 2HB ASN 25 11.821 -2.037 -7.533 193 1HD2 ASN 25 1HD2 ASN 25 13.018 1.084 -8.073 194 2HD2 ASN 25 2HD2 ASN 25 13.255 0.965 -9.787 195 H LEU 26 H LEU 26 9.166 -3.016 -7.116 196 HA LEU 26 HA LEU 26 7.850 -2.628 -4.664 197 1HB LEU 26 1HB LEU 26 7.171 -4.369 -6.171 198 2HB LEU 26 2HB LEU 26 8.751 -5.125 -6.091 199 HG LEU 26 HG LEU 26 8.369 -5.745 -3.766 200 1HD1 LEU 26 1HD1 LEU 26 5.703 -4.392 -4.134 201 2HD1 LEU 26 2HD1 LEU 26 7.007 -3.883 -3.060 202 3HD1 LEU 26 3HD1 LEU 26 6.151 -5.395 -2.755 203 1HD2 LEU 26 1HD2 LEU 26 7.655 -7.276 -5.531 204 2HD2 LEU 26 2HD2 LEU 26 6.068 -6.509 -5.562 205 3HD2 LEU 26 3HD2 LEU 26 6.596 -7.382 -4.124 206 H LEU 27 H LEU 27 8.585 -2.570 -2.664 207 HA LEU 27 HA LEU 27 11.272 -3.610 -2.082 208 1HB LEU 27 1HB LEU 27 9.573 -1.658 -0.531 209 2HB LEU 27 2HB LEU 27 11.184 -2.181 -0.080 210 HG LEU 27 HG LEU 27 10.508 -0.636 -2.581 211 1HD1 LEU 27 1HD1 LEU 27 11.582 1.247 -1.454 212 2HD1 LEU 27 2HD1 LEU 27 11.782 0.270 -0.001 213 3HD1 LEU 27 3HD1 LEU 27 10.164 0.691 -0.564 214 1HD2 LEU 27 1HD2 LEU 27 13.157 -1.410 -1.359 215 2HD2 LEU 27 2HD2 LEU 27 12.942 -0.358 -2.757 216 3HD2 LEU 27 3HD2 LEU 27 12.467 -2.053 -2.850 217 H ASP 28 H ASP 28 8.024 -3.368 -0.641 218 HA ASP 28 HA ASP 28 8.551 -5.879 0.797 219 1HB ASP 28 1HB ASP 28 8.909 -4.165 2.431 220 2HB ASP 28 2HB ASP 28 7.452 -3.312 1.945 221 H THR 29 H THR 29 6.869 -7.255 1.006 222 HA THR 29 HA THR 29 4.232 -6.357 0.051 223 HB THR 29 HB THR 29 5.410 -9.105 -0.390 224 HG1 THR 29 HG1 THR 29 5.892 -6.842 -1.707 225 1HG2 THR 29 1HG2 THR 29 2.905 -7.779 -1.431 226 2HG2 THR 29 2HG2 THR 29 2.986 -9.114 -0.279 227 3HG2 THR 29 3HG2 THR 29 3.505 -9.357 -1.948 228 H SER 30 H SER 30 2.765 -6.520 1.638 229 HA SER 30 HA SER 30 3.101 -8.632 3.656 230 1HB SER 30 1HB SER 30 2.474 -5.718 4.196 231 2HB SER 30 2HB SER 30 2.439 -6.999 5.408 232 HG SER 30 HG SER 30 4.681 -6.008 3.961 233 H GLY 31 H GLY 31 1.216 -9.492 4.487 234 1HA GLY 31 1HA GLY 31 -1.044 -9.824 4.808 235 2HA GLY 31 2HA GLY 31 -1.330 -8.223 4.143 236 H VAL 32 H VAL 32 -3.099 -8.901 2.952 237 HA VAL 32 HA VAL 32 -3.226 -11.150 1.289 238 HB VAL 32 HB VAL 32 -4.713 -8.539 0.947 239 1HG1 VAL 32 1HG1 VAL 32 -5.425 -11.326 0.045 240 2HG1 VAL 32 2HG1 VAL 32 -4.889 -10.009 -0.998 241 3HG1 VAL 32 3HG1 VAL 32 -6.427 -9.886 -0.142 242 1HG2 VAL 32 1HG2 VAL 32 -6.466 -9.573 2.300 243 2HG2 VAL 32 2HG2 VAL 32 -4.958 -9.415 3.205 244 3HG2 VAL 32 3HG2 VAL 32 -5.435 -10.983 2.554 245 H ALA 33 H ALA 33 -1.573 -8.192 0.835 246 HA ALA 33 HA ALA 33 -1.611 -7.919 -1.950 247 1HB ALA 33 1HB ALA 33 -0.761 -6.200 -0.433 248 2HB ALA 33 2HB ALA 33 0.414 -6.604 -1.684 249 3HB ALA 33 3HB ALA 33 0.621 -7.227 -0.049 250 H LYS 34 H LYS 34 -0.158 -10.322 0.003 251 HA LYS 34 HA LYS 34 1.945 -11.024 -1.804 252 1HB LYS 34 1HB LYS 34 0.701 -12.623 0.438 253 2HB LYS 34 2HB LYS 34 2.202 -12.998 -0.389 254 1HG LYS 34 1HG LYS 34 3.176 -10.903 0.430 255 2HG LYS 34 2HG LYS 34 1.675 -10.562 1.293 256 1HD LYS 34 1HD LYS 34 3.467 -12.947 1.749 257 2HD LYS 34 2HD LYS 34 3.384 -11.514 2.774 258 1HE LYS 34 1HE LYS 34 1.017 -12.000 3.225 259 2HE LYS 34 2HE LYS 34 1.137 -13.451 2.231 260 1HZ LYS 34 1HZ LYS 34 2.766 -14.346 3.752 261 2HZ LYS 34 2HZ LYS 34 1.355 -13.934 4.603 262 3HZ LYS 34 3HZ LYS 34 2.717 -12.933 4.688 263 H VAL 35 H VAL 35 -1.360 -12.178 -1.220 264 HA VAL 35 HA VAL 35 -1.067 -14.212 -3.282 265 HB VAL 35 HB VAL 35 -3.389 -14.841 -2.759 266 1HG1 VAL 35 1HG1 VAL 35 -1.568 -15.877 -1.531 267 2HG1 VAL 35 2HG1 VAL 35 -2.980 -15.676 -0.493 268 3HG1 VAL 35 3HG1 VAL 35 -1.610 -14.575 -0.340 269 1HG2 VAL 35 1HG2 VAL 35 -4.512 -13.814 -0.814 270 2HG2 VAL 35 2HG2 VAL 35 -4.309 -12.692 -2.161 271 3HG2 VAL 35 3HG2 VAL 35 -3.241 -12.591 -0.760 272 H ILE 36 H ILE 36 -1.955 -10.967 -3.099 273 HA ILE 36 HA ILE 36 -3.534 -10.976 -5.519 274 HB ILE 36 HB ILE 36 -2.321 -8.761 -3.864 275 1HG1 ILE 36 1HG1 ILE 36 -5.222 -9.450 -4.371 276 2HG1 ILE 36 2HG1 ILE 36 -4.308 -10.047 -2.990 277 1HG2 ILE 36 1HG2 ILE 36 -2.335 -8.049 -6.188 278 2HG2 ILE 36 2HG2 ILE 36 -3.563 -7.180 -5.267 279 3HG2 ILE 36 3HG2 ILE 36 -4.032 -8.504 -6.335 280 1HD1 ILE 36 1HD1 ILE 36 -4.833 -7.154 -3.624 281 2HD1 ILE 36 2HD1 ILE 36 -3.963 -7.778 -2.221 282 3HD1 ILE 36 3HD1 ILE 36 -5.682 -8.125 -2.417 283 H GLU 37 H GLU 37 -2.777 -10.737 -7.555 284 HA GLU 37 HA GLU 37 -0.047 -11.153 -8.120 285 1HB GLU 37 1HB GLU 37 -0.694 -10.722 -10.479 286 2HB GLU 37 2HB GLU 37 -1.727 -11.896 -9.677 287 1HG GLU 37 1HG GLU 37 -3.437 -10.201 -9.358 288 2HG GLU 37 2HG GLU 37 -2.392 -8.994 -10.106 289 H LYS 38 H LYS 38 1.490 -9.800 -9.101 290 HA LYS 38 HA LYS 38 1.180 -7.008 -8.311 291 1HB LYS 38 1HB LYS 38 3.584 -8.691 -8.972 292 2HB LYS 38 2HB LYS 38 3.686 -6.940 -8.928 293 1HG LYS 38 1HG LYS 38 4.448 -7.944 -6.843 294 2HG LYS 38 2HG LYS 38 3.027 -6.931 -6.592 295 1HD LYS 38 1HD LYS 38 1.619 -8.791 -6.322 296 2HD LYS 38 2HD LYS 38 2.809 -9.894 -7.006 297 1HE LYS 38 1HE LYS 38 4.243 -9.567 -5.062 298 2HE LYS 38 2HE LYS 38 3.084 -8.421 -4.389 299 1HZ LYS 38 1HZ LYS 38 1.533 -10.098 -4.006 300 2HZ LYS 38 2HZ LYS 38 3.008 -10.807 -3.545 301 3HZ LYS 38 3HZ LYS 38 2.306 -11.198 -5.038 302 H SER 39 H SER 39 -0.248 -6.514 -10.048 303 HA SER 39 HA SER 39 0.682 -6.602 -12.756 304 1HB SER 39 1HB SER 39 -1.347 -4.973 -13.012 305 2HB SER 39 2HB SER 39 -1.651 -6.654 -12.576 306 HG SER 39 HG SER 39 -2.721 -5.758 -11.005 307 HA PRO 40 HA PRO 40 2.734 -2.613 -13.079 308 1HB PRO 40 1HB PRO 40 0.690 -1.437 -14.855 309 2HB PRO 40 2HB PRO 40 2.404 -1.737 -15.157 310 1HG PRO 40 1HG PRO 40 0.515 -3.222 -16.324 311 2HG PRO 40 2HG PRO 40 2.045 -3.935 -15.782 312 1HD PRO 40 1HD PRO 40 -0.650 -4.012 -14.474 313 2HD PRO 40 2HD PRO 40 0.547 -5.310 -14.662 314 H ILE 41 H ILE 41 1.411 -2.649 -10.797 315 HA ILE 41 HA ILE 41 -0.473 -0.563 -10.393 316 HB ILE 41 HB ILE 41 1.388 -1.855 -8.384 317 1HG1 ILE 41 1HG1 ILE 41 -1.481 -2.533 -9.063 318 2HG1 ILE 41 2HG1 ILE 41 -0.083 -3.455 -9.596 319 1HG2 ILE 41 1HG2 ILE 41 -0.254 -1.123 -6.713 320 2HG2 ILE 41 2HG2 ILE 41 -1.161 -0.293 -7.978 321 3HG2 ILE 41 3HG2 ILE 41 0.468 0.243 -7.565 322 1HD1 ILE 41 1HD1 ILE 41 0.470 -3.938 -7.259 323 2HD1 ILE 41 2HD1 ILE 41 -1.135 -4.520 -7.703 324 3HD1 ILE 41 3HD1 ILE 41 -0.965 -3.046 -6.748 325 H ALA 42 H ALA 42 3.013 -0.745 -10.400 326 HA ALA 42 HA ALA 42 3.659 1.608 -9.042 327 1HB ALA 42 1HB ALA 42 5.322 -0.067 -9.624 328 2HB ALA 42 2HB ALA 42 5.789 1.511 -10.257 329 3HB ALA 42 3HB ALA 42 5.110 0.296 -11.336 330 H GLU 43 H GLU 43 2.852 1.031 -12.417 331 HA GLU 43 HA GLU 43 3.233 3.605 -13.434 332 1HB GLU 43 1HB GLU 43 2.797 1.621 -14.818 333 2HB GLU 43 2HB GLU 43 1.152 1.550 -14.201 334 1HG GLU 43 1HG GLU 43 0.901 3.915 -15.145 335 2HG GLU 43 2HG GLU 43 2.380 3.561 -16.043 336 H ILE 44 H ILE 44 0.516 2.174 -11.706 337 HA ILE 44 HA ILE 44 -1.173 4.469 -12.101 338 HB ILE 44 HB ILE 44 -1.616 2.287 -10.066 339 1HG1 ILE 44 1HG1 ILE 44 -1.187 1.211 -12.222 340 2HG1 ILE 44 2HG1 ILE 44 -2.892 1.080 -11.801 341 1HG2 ILE 44 1HG2 ILE 44 -3.059 4.269 -9.927 342 2HG2 ILE 44 2HG2 ILE 44 -3.967 2.829 -10.390 343 3HG2 ILE 44 3HG2 ILE 44 -3.539 4.029 -11.608 344 1HD1 ILE 44 1HD1 ILE 44 -1.689 3.026 -13.758 345 2HD1 ILE 44 2HD1 ILE 44 -3.396 2.929 -13.326 346 3HD1 ILE 44 3HD1 ILE 44 -2.617 1.578 -14.153 347 H ILE 45 H ILE 45 1.113 3.356 -9.728 348 HA ILE 45 HA ILE 45 0.359 4.946 -7.541 349 HB ILE 45 HB ILE 45 3.127 4.017 -8.337 350 1HG1 ILE 45 1HG1 ILE 45 1.127 2.875 -6.369 351 2HG1 ILE 45 2HG1 ILE 45 1.541 2.183 -7.934 352 1HG2 ILE 45 1HG2 ILE 45 3.709 4.411 -5.967 353 2HG2 ILE 45 2HG2 ILE 45 2.130 5.163 -5.731 354 3HG2 ILE 45 3HG2 ILE 45 3.299 5.894 -6.832 355 1HD1 ILE 45 1HD1 ILE 45 2.651 1.007 -6.128 356 2HD1 ILE 45 2HD1 ILE 45 3.413 2.508 -5.601 357 3HD1 ILE 45 3HD1 ILE 45 3.827 1.812 -7.168 358 H ARG 46 H ARG 46 2.666 5.572 -10.173 359 HA ARG 46 HA ARG 46 3.304 8.195 -9.355 360 1HB ARG 46 1HB ARG 46 4.084 8.399 -11.790 361 2HB ARG 46 2HB ARG 46 4.861 7.201 -10.767 362 1HG ARG 46 1HG ARG 46 3.581 5.440 -11.766 363 2HG ARG 46 2HG ARG 46 2.654 6.605 -12.713 364 1HD ARG 46 1HD ARG 46 5.639 6.275 -12.925 365 2HD ARG 46 2HD ARG 46 4.486 5.432 -13.960 366 HE ARG 46 HE ARG 46 3.768 8.034 -14.211 367 1HH1 ARG 46 1HH1 ARG 46 6.803 6.313 -14.594 368 2HH1 ARG 46 2HH1 ARG 46 7.412 7.401 -15.811 369 1HH2 ARG 46 1HH2 ARG 46 4.546 9.443 -15.833 370 2HH2 ARG 46 2HH2 ARG 46 6.137 9.202 -16.494 371 H LYS 47 H LYS 47 0.885 6.939 -11.635 372 HA LYS 47 HA LYS 47 -0.098 9.398 -12.537 373 1HB LYS 47 1HB LYS 47 -1.529 6.769 -12.095 374 2HB LYS 47 2HB LYS 47 -2.248 8.148 -12.918 375 1HG LYS 47 1HG LYS 47 -0.585 8.044 -14.649 376 2HG LYS 47 2HG LYS 47 0.269 6.758 -13.799 377 1HD LYS 47 1HD LYS 47 -1.606 5.261 -14.103 378 2HD LYS 47 2HD LYS 47 -2.555 6.555 -14.839 379 1HE LYS 47 1HE LYS 47 -1.015 6.680 -16.694 380 2HE LYS 47 2HE LYS 47 0.041 5.489 -15.939 381 1HZ LYS 47 1HZ LYS 47 -2.769 4.861 -16.629 382 2HZ LYS 47 2HZ LYS 47 -1.487 3.786 -16.327 383 3HZ LYS 47 3HZ LYS 47 -1.512 4.693 -17.758 384 H SER 48 H SER 48 -1.065 7.421 -9.766 385 HA SER 48 HA SER 48 -2.986 9.250 -8.780 386 1HB SER 48 1HB SER 48 -1.461 7.099 -7.299 387 2HB SER 48 2HB SER 48 -2.950 7.874 -6.764 388 HG SER 48 HG SER 48 -2.585 6.205 -9.029 389 H ASN 49 H ASN 49 0.461 9.082 -8.550 390 HA ASN 49 HA ASN 49 0.829 10.618 -6.203 391 1HB ASN 49 1HB ASN 49 2.685 9.365 -7.075 392 2HB ASN 49 2HB ASN 49 2.579 10.180 -8.631 393 1HD2 ASN 49 1HD2 ASN 49 3.536 12.135 -8.912 394 2HD2 ASN 49 2HD2 ASN 49 4.530 12.894 -7.713 395 H ALA 50 H ALA 50 0.340 11.440 -9.571 396 HA ALA 50 HA ALA 50 0.619 14.274 -9.115 397 1HB ALA 50 1HB ALA 50 -0.446 12.780 -11.511 398 2HB ALA 50 2HB ALA 50 1.221 13.306 -11.273 399 3HB ALA 50 3HB ALA 50 -0.063 14.501 -11.453 400 H GLU 51 H GLU 51 -1.924 11.936 -9.001 401 HA GLU 51 HA GLU 51 -4.061 13.837 -9.290 402 1HB GLU 51 1HB GLU 51 -4.073 10.954 -8.400 403 2HB GLU 51 2HB GLU 51 -5.519 11.921 -8.651 404 1HG GLU 51 1HG GLU 51 -3.488 11.139 -10.728 405 2HG GLU 51 2HG GLU 51 -5.131 10.521 -10.563 406 H LEU 52 H LEU 52 -2.824 11.896 -6.564 407 HA LEU 52 HA LEU 52 -4.564 13.460 -4.789 408 1HB LEU 52 1HB LEU 52 -4.339 11.529 -3.228 409 2HB LEU 52 2HB LEU 52 -5.170 11.169 -4.726 410 HG LEU 52 HG LEU 52 -2.945 10.224 -5.558 411 1HD1 LEU 52 1HD1 LEU 52 -1.375 9.471 -3.874 412 2HD1 LEU 52 2HD1 LEU 52 -2.321 10.265 -2.613 413 3HD1 LEU 52 3HD1 LEU 52 -1.514 11.229 -3.851 414 1HD2 LEU 52 1HD2 LEU 52 -3.326 8.090 -4.492 415 2HD2 LEU 52 2HD2 LEU 52 -4.854 8.862 -4.916 416 3HD2 LEU 52 3HD2 LEU 52 -4.298 8.870 -3.245 417 H GLY 53 H GLY 53 -3.619 13.027 -2.389 418 1HA GLY 53 1HA GLY 53 -0.741 13.520 -2.330 419 2HA GLY 53 2HA GLY 53 -1.795 14.730 -1.605 420 H ARG 54 H ARG 54 -3.410 13.816 -0.006 421 HA ARG 54 HA ARG 54 -1.995 11.924 1.748 422 1HB ARG 54 1HB ARG 54 -2.182 14.205 2.612 423 2HB ARG 54 2HB ARG 54 -3.922 14.161 2.408 424 1HG ARG 54 1HG ARG 54 -2.823 12.044 4.120 425 2HG ARG 54 2HG ARG 54 -2.626 13.689 4.730 426 1HD ARG 54 1HD ARG 54 -5.131 13.949 4.125 427 2HD ARG 54 2HD ARG 54 -5.142 12.184 4.109 428 HE ARG 54 HE ARG 54 -4.573 12.203 6.437 429 1HH1 ARG 54 1HH1 ARG 54 -5.415 15.329 5.096 430 2HH1 ARG 54 2HH1 ARG 54 -5.729 16.058 6.636 431 1HH2 ARG 54 1HH2 ARG 54 -5.007 13.161 8.486 432 2HH2 ARG 54 2HH2 ARG 54 -5.511 14.827 8.563 433 H LEU 55 H LEU 55 -4.762 12.306 -0.151 434 HA LEU 55 HA LEU 55 -6.343 10.410 1.407 435 1HB LEU 55 1HB LEU 55 -7.037 11.907 -1.127 436 2HB LEU 55 2HB LEU 55 -8.110 10.803 -0.288 437 HG LEU 55 HG LEU 55 -8.840 12.940 0.325 438 1HD1 LEU 55 1HD1 LEU 55 -8.679 11.451 2.222 439 2HD1 LEU 55 2HD1 LEU 55 -8.359 13.113 2.717 440 3HD1 LEU 55 3HD1 LEU 55 -7.023 11.978 2.522 441 1HD2 LEU 55 1HD2 LEU 55 -6.953 14.235 -0.488 442 2HD2 LEU 55 2HD2 LEU 55 -5.975 13.697 0.876 443 3HD2 LEU 55 3HD2 LEU 55 -7.382 14.721 1.151 444 H GLY 56 H GLY 56 -7.058 8.435 0.521 445 1HA GLY 56 1HA GLY 56 -5.083 7.296 -1.292 446 2HA GLY 56 2HA GLY 56 -6.225 6.404 -0.302 447 H TYR 57 H TYR 57 -5.415 7.038 -3.349 448 HA TYR 57 HA TYR 57 -8.148 6.897 -4.401 449 1HB TYR 57 1HB TYR 57 -6.702 8.521 -5.503 450 2HB TYR 57 2HB TYR 57 -5.474 7.285 -5.779 451 HD1 TYR 57 HD1 TYR 57 -9.024 8.098 -6.615 452 HD2 TYR 57 HD2 TYR 57 -5.424 6.164 -7.796 453 HE1 TYR 57 HE1 TYR 57 -10.018 7.596 -8.807 454 HE2 TYR 57 HE2 TYR 57 -6.406 5.658 -9.988 455 HH TYR 57 HH TYR 57 -8.703 5.353 -10.941 456 H SER 58 H SER 58 -8.894 5.085 -5.446 457 HA SER 58 HA SER 58 -7.600 2.621 -4.839 458 1HB SER 58 1HB SER 58 -9.951 3.126 -6.676 459 2HB SER 58 2HB SER 58 -9.511 1.593 -5.922 460 HG SER 58 HG SER 58 -11.137 3.332 -4.944 461 H VAL 59 H VAL 59 -5.824 2.046 -5.881 462 HA VAL 59 HA VAL 59 -5.522 2.700 -8.716 463 HB VAL 59 HB VAL 59 -3.182 2.135 -8.474 464 1HG1 VAL 59 1HG1 VAL 59 -3.924 4.376 -7.817 465 2HG1 VAL 59 2HG1 VAL 59 -2.510 3.853 -6.906 466 3HG1 VAL 59 3HG1 VAL 59 -4.104 3.819 -6.152 467 1HG2 VAL 59 1HG2 VAL 59 -3.851 1.353 -5.636 468 2HG2 VAL 59 2HG2 VAL 59 -2.226 1.465 -6.314 469 3HG2 VAL 59 3HG2 VAL 59 -3.357 0.261 -6.931 470 H TYR 60 H TYR 60 -5.956 0.034 -6.553 471 HA TYR 60 HA TYR 60 -5.999 -1.790 -8.861 472 1HB TYR 60 1HB TYR 60 -3.986 -2.156 -7.418 473 2HB TYR 60 2HB TYR 60 -5.063 -2.479 -6.064 474 HD1 TYR 60 HD1 TYR 60 -3.681 -3.766 -9.183 475 HD2 TYR 60 HD2 TYR 60 -6.352 -4.553 -5.967 476 HE1 TYR 60 HE1 TYR 60 -3.747 -6.134 -9.828 477 HE2 TYR 60 HE2 TYR 60 -6.430 -6.927 -6.607 478 HH TYR 60 HH TYR 60 -4.231 -8.301 -8.812 479 H GLU 61 H GLU 61 -8.151 -2.014 -9.151 480 HA GLU 61 HA GLU 61 -9.783 -2.447 -6.739 481 1HB GLU 61 1HB GLU 61 -10.285 -0.396 -8.049 482 2HB GLU 61 2HB GLU 61 -10.677 -1.411 -9.430 483 1HG GLU 61 1HG GLU 61 -12.580 -2.296 -8.371 484 2HG GLU 61 2HG GLU 61 -12.090 -1.668 -6.797 485 H ASP 62 H ASP 62 -10.123 -4.505 -6.446 486 HA ASP 62 HA ASP 62 -10.741 -6.220 -8.756 487 1HB ASP 62 1HB ASP 62 -8.599 -6.878 -7.820 488 2HB ASP 62 2HB ASP 62 -9.264 -6.881 -6.189 489 H ALA 63 H ALA 63 -12.151 -8.112 -8.103 490 HA ALA 63 HA ALA 63 -14.496 -7.088 -6.917 491 1HB ALA 63 1HB ALA 63 -15.394 -9.362 -7.197 492 2HB ALA 63 2HB ALA 63 -13.776 -9.936 -7.600 493 3HB ALA 63 3HB ALA 63 -14.590 -8.779 -8.654 494 H GLN 64 H GLN 64 -11.744 -8.625 -5.564 495 HA GLN 64 HA GLN 64 -13.174 -9.344 -3.114 496 1HB GLN 64 1HB GLN 64 -10.243 -9.686 -3.723 497 2HB GLN 64 2HB GLN 64 -11.167 -10.467 -2.450 498 1HG GLN 64 1HG GLN 64 -12.369 -11.785 -4.029 499 2HG GLN 64 2HG GLN 64 -11.676 -10.886 -5.380 500 1HE2 GLN 64 1HE2 GLN 64 -9.480 -11.145 -5.866 501 2HE2 GLN 64 2HE2 GLN 64 -8.626 -12.577 -5.385 502 H TYR 65 H TYR 65 -10.281 -7.462 -4.039 503 HA TYR 65 HA TYR 65 -10.727 -5.793 -1.656 504 1HB TYR 65 1HB TYR 65 -8.011 -6.742 -2.565 505 2HB TYR 65 2HB TYR 65 -8.375 -5.823 -1.115 506 HD1 TYR 65 HD1 TYR 65 -8.299 -9.116 -2.646 507 HD2 TYR 65 HD2 TYR 65 -9.446 -6.919 0.810 508 HE1 TYR 65 HE1 TYR 65 -8.500 -11.216 -1.384 509 HE2 TYR 65 HE2 TYR 65 -9.647 -9.011 2.082 510 HH TYR 65 HH TYR 65 -9.812 -11.297 1.868 511 H ILE 66 H ILE 66 -9.455 -3.765 -1.725 512 HA ILE 66 HA ILE 66 -8.929 -2.823 -4.453 513 HB ILE 66 HB ILE 66 -10.569 -1.372 -2.367 514 1HG1 ILE 66 1HG1 ILE 66 -11.292 -2.325 -5.148 515 2HG1 ILE 66 2HG1 ILE 66 -11.786 -3.101 -3.646 516 1HG2 ILE 66 1HG2 ILE 66 -10.754 0.414 -4.069 517 2HG2 ILE 66 2HG2 ILE 66 -9.571 -0.444 -5.059 518 3HG2 ILE 66 3HG2 ILE 66 -9.106 0.193 -3.482 519 1HD1 ILE 66 1HD1 ILE 66 -12.534 -0.319 -4.518 520 2HD1 ILE 66 2HD1 ILE 66 -13.036 -1.106 -3.021 521 3HD1 ILE 66 3HD1 ILE 66 -13.572 -1.744 -4.575 522 H GLY 67 H GLY 67 -7.000 -1.937 -4.596 523 1HA GLY 67 1HA GLY 67 -5.536 -1.276 -2.145 524 2HA GLY 67 2HA GLY 67 -4.834 -1.523 -3.738 525 H HIS 68 H HIS 68 -4.663 0.709 -1.716 526 HA HIS 68 HA HIS 68 -5.438 2.907 -3.522 527 1HB HIS 68 1HB HIS 68 -5.338 3.198 -0.519 528 2HB HIS 68 2HB HIS 68 -6.067 4.286 -1.692 529 HD1 HIS 68 HD1 HIS 68 -8.485 3.742 -2.469 530 HD2 HIS 68 HD2 HIS 68 -6.896 0.996 0.221 531 HE1 HIS 68 HE1 HIS 68 -10.421 2.330 -1.722 532 HE2 HIS 68 HE2 HIS 68 -9.457 0.746 -0.011 533 H ALA 69 H ALA 69 -3.841 4.317 -4.012 534 HA ALA 69 HA ALA 69 -1.179 3.729 -2.987 535 1HB ALA 69 1HB ALA 69 -2.123 5.590 -5.161 536 2HB ALA 69 2HB ALA 69 -1.364 4.008 -5.362 537 3HB ALA 69 3HB ALA 69 -0.433 5.357 -4.707 538 H PHE 70 H PHE 70 -0.240 4.823 -1.400 539 HA PHE 70 HA PHE 70 -1.103 7.600 -0.926 540 1HB PHE 70 1HB PHE 70 -0.205 5.501 1.041 541 2HB PHE 70 2HB PHE 70 -0.272 7.213 1.445 542 HD1 PHE 70 HD1 PHE 70 -2.237 4.235 0.624 543 HD2 PHE 70 HD2 PHE 70 -2.369 8.326 1.798 544 HE1 PHE 70 HE1 PHE 70 -4.610 3.990 1.207 545 HE2 PHE 70 HE2 PHE 70 -4.743 8.083 2.380 546 HZ PHE 70 HZ PHE 70 -5.864 5.914 2.089 547 H LYS 71 H LYS 71 0.419 9.148 -0.684 548 HA LYS 71 HA LYS 71 3.136 8.503 -1.447 549 1HB LYS 71 1HB LYS 71 1.556 10.994 -1.113 550 2HB LYS 71 2HB LYS 71 3.283 11.118 -0.831 551 1HG LYS 71 1HG LYS 71 2.967 11.705 -3.070 552 2HG LYS 71 2HG LYS 71 3.596 10.063 -3.107 553 1HD LYS 71 1HD LYS 71 0.641 10.484 -3.133 554 2HD LYS 71 2HD LYS 71 1.560 10.766 -4.611 555 1HE LYS 71 1HE LYS 71 2.464 8.493 -4.475 556 2HE LYS 71 2HE LYS 71 1.538 8.215 -3.000 557 1HZ LYS 71 1HZ LYS 71 0.366 8.846 -5.654 558 2HZ LYS 71 2HZ LYS 71 -0.495 8.501 -4.239 559 3HZ LYS 71 3HZ LYS 71 0.448 7.302 -4.970 560 H LYS 72 H LYS 72 4.667 8.013 -0.052 561 HA LYS 72 HA LYS 72 4.250 8.701 2.780 562 1HB LYS 72 1HB LYS 72 5.888 6.453 1.589 563 2HB LYS 72 2HB LYS 72 5.675 6.771 3.305 564 1HG LYS 72 1HG LYS 72 3.433 6.094 1.414 565 2HG LYS 72 2HG LYS 72 4.271 4.921 2.431 566 1HD LYS 72 1HD LYS 72 2.800 7.346 3.463 567 2HD LYS 72 2HD LYS 72 2.122 5.718 3.394 568 1HE LYS 72 1HE LYS 72 3.883 4.917 4.885 569 2HE LYS 72 2HE LYS 72 4.586 6.531 4.935 570 1HZ LYS 72 1HZ LYS 72 3.270 6.184 6.887 571 2HZ LYS 72 2HZ LYS 72 1.923 5.726 5.973 572 3HZ LYS 72 3HZ LYS 72 2.479 7.325 5.911 573 H ALA 73 H ALA 73 6.579 8.609 3.916 574 HA ALA 73 HA ALA 73 7.957 10.880 2.938 575 1HB ALA 73 1HB ALA 73 8.861 8.892 5.017 576 2HB ALA 73 2HB ALA 73 7.839 10.298 5.321 577 3HB ALA 73 3HB ALA 73 9.501 10.518 4.772 578 H GLY 74 H GLY 74 8.853 10.659 0.969 579 1HA GLY 74 1HA GLY 74 10.470 10.125 -0.571 580 2HA GLY 74 2HA GLY 74 11.337 9.309 0.719 581 H HIS 75 H HIS 75 8.145 8.192 0.315 582 HA HIS 75 HA HIS 75 8.991 6.008 -1.427 583 1HB HIS 75 1HB HIS 75 8.157 5.685 1.443 584 2HB HIS 75 2HB HIS 75 7.984 4.374 0.281 585 HD1 HIS 75 HD1 HIS 75 10.142 5.234 2.838 586 HD2 HIS 75 HD2 HIS 75 10.786 4.238 -1.147 587 HE1 HIS 75 HE1 HIS 75 12.529 4.448 2.709 588 HE2 HIS 75 HE2 HIS 75 12.842 3.691 0.325 589 H PHE 76 H PHE 76 7.129 4.425 -1.703 590 HA PHE 76 HA PHE 76 4.544 5.824 -1.762 591 1HB PHE 76 1HB PHE 76 5.843 4.236 -3.991 592 2HB PHE 76 2HB PHE 76 4.168 4.793 -4.012 593 HD1 PHE 76 HD1 PHE 76 7.524 5.562 -4.845 594 HD2 PHE 76 HD2 PHE 76 3.799 7.343 -3.803 595 HE1 PHE 76 HE1 PHE 76 8.258 7.682 -5.855 596 HE2 PHE 76 HE2 PHE 76 4.527 9.461 -4.814 597 HZ PHE 76 HZ PHE 76 6.754 9.636 -5.846 598 H ILE 77 H ILE 77 2.916 4.558 -0.926 599 HA ILE 77 HA ILE 77 3.400 1.655 -0.908 600 HB ILE 77 HB ILE 77 2.340 3.245 1.432 601 1HG1 ILE 77 1HG1 ILE 77 4.925 1.710 1.078 602 2HG1 ILE 77 2HG1 ILE 77 4.768 3.460 1.150 603 1HG2 ILE 77 1HG2 ILE 77 2.337 1.104 2.630 604 2HG2 ILE 77 2HG2 ILE 77 2.820 0.278 1.147 605 3HG2 ILE 77 3HG2 ILE 77 1.248 1.073 1.243 606 1HD1 ILE 77 1HD1 ILE 77 5.569 2.559 3.254 607 2HD1 ILE 77 2HD1 ILE 77 4.135 1.540 3.377 608 3HD1 ILE 77 3HD1 ILE 77 3.978 3.295 3.452 609 H VAL 78 H VAL 78 1.709 0.404 -1.383 610 HA VAL 78 HA VAL 78 -0.882 1.724 -1.850 611 HB VAL 78 HB VAL 78 0.135 -0.877 -3.014 612 1HG1 VAL 78 1HG1 VAL 78 -2.288 -0.828 -2.801 613 2HG1 VAL 78 2HG1 VAL 78 -1.812 -0.715 -4.495 614 3HG1 VAL 78 3HG1 VAL 78 -2.344 0.727 -3.630 615 1HG2 VAL 78 1HG2 VAL 78 1.375 1.042 -3.879 616 2HG2 VAL 78 2HG2 VAL 78 -0.142 1.832 -4.312 617 3HG2 VAL 78 3HG2 VAL 78 0.336 0.340 -5.121 618 H TYR 79 H TYR 79 -2.207 1.409 -0.189 619 HA TYR 79 HA TYR 79 -2.016 -1.020 1.404 620 1HB TYR 79 1HB TYR 79 -3.601 1.529 1.770 621 2HB TYR 79 2HB TYR 79 -3.644 0.170 2.880 622 HD1 TYR 79 HD1 TYR 79 -1.889 -0.194 4.465 623 HD2 TYR 79 HD2 TYR 79 -1.518 2.850 1.516 624 HE1 TYR 79 HE1 TYR 79 0.041 0.732 5.671 625 HE2 TYR 79 HE2 TYR 79 0.417 3.780 2.712 626 HH TYR 79 HH TYR 79 2.007 2.110 5.227 627 H PHE 80 H PHE 80 -3.285 -2.687 1.043 628 HA PHE 80 HA PHE 80 -5.560 -2.406 -0.752 629 1HB PHE 80 1HB PHE 80 -4.085 -4.819 0.303 630 2HB PHE 80 2HB PHE 80 -5.511 -4.913 -0.716 631 HD1 PHE 80 HD1 PHE 80 -5.402 -4.435 -3.059 632 HD2 PHE 80 HD2 PHE 80 -1.968 -3.997 -0.589 633 HE1 PHE 80 HE1 PHE 80 -3.986 -4.280 -5.064 634 HE2 PHE 80 HE2 PHE 80 -0.544 -3.841 -2.591 635 HZ PHE 80 HZ PHE 80 -1.554 -3.983 -4.832 636 H THR 81 H THR 81 -7.464 -2.086 0.090 637 HA THR 81 HA THR 81 -8.111 -3.288 2.704 638 HB THR 81 HB THR 81 -9.827 -1.574 2.950 639 HG1 THR 81 HG1 THR 81 -9.857 -1.429 0.418 640 1HG2 THR 81 1HG2 THR 81 -8.423 0.420 3.125 641 2HG2 THR 81 2HG2 THR 81 -7.200 -0.347 2.115 642 3HG2 THR 81 3HG2 THR 81 -7.566 -1.007 3.708 643 HA PRO 82 HA PRO 82 -10.956 -5.940 0.524 644 1HB PRO 82 1HB PRO 82 -12.938 -6.091 2.444 645 2HB PRO 82 2HB PRO 82 -11.477 -7.084 2.439 646 1HG PRO 82 1HG PRO 82 -12.075 -4.592 3.979 647 2HG PRO 82 2HG PRO 82 -11.224 -6.059 4.503 648 1HD PRO 82 1HD PRO 82 -9.899 -3.816 3.849 649 2HD PRO 82 2HD PRO 82 -9.246 -5.424 3.474 650 H LYS 83 H LYS 83 -12.682 -5.599 -0.837 651 HA LYS 83 HA LYS 83 -13.570 -3.112 -1.517 652 1HB LYS 83 1HB LYS 83 -14.503 -5.829 -2.008 653 2HB LYS 83 2HB LYS 83 -15.816 -4.662 -2.021 654 1HG LYS 83 1HG LYS 83 -14.482 -3.315 -3.657 655 2HG LYS 83 2HG LYS 83 -13.350 -4.671 -3.735 656 1HD LYS 83 1HD LYS 83 -15.036 -6.124 -4.590 657 2HD LYS 83 2HD LYS 83 -16.302 -4.934 -4.282 658 1HE LYS 83 1HE LYS 83 -14.013 -4.468 -6.179 659 2HE LYS 83 2HE LYS 83 -15.557 -5.150 -6.682 660 1HZ LYS 83 1HZ LYS 83 -16.661 -3.140 -5.956 661 2HZ LYS 83 2HZ LYS 83 -15.438 -2.761 -7.067 662 3HZ LYS 83 3HZ LYS 83 -15.196 -2.485 -5.411 663 H ASN 84 H ASN 84 -14.339 -1.632 -0.142 664 HA ASN 84 HA ASN 84 -16.809 -2.250 1.279 665 1HB ASN 84 1HB ASN 84 -16.070 -1.290 3.354 666 2HB ASN 84 2HB ASN 84 -14.898 -2.515 2.890 667 1HD2 ASN 84 1HD2 ASN 84 -12.859 -1.835 2.082 668 2HD2 ASN 84 2HD2 ASN 84 -12.242 -0.261 2.461 669 H LYS 85 H LYS 85 -18.261 -0.666 1.173 670 HA LYS 85 HA LYS 85 -17.405 2.035 0.443 671 1HB LYS 85 1HB LYS 85 -17.886 0.797 -1.670 672 2HB LYS 85 2HB LYS 85 -19.512 0.484 -1.089 673 1HG LYS 85 1HG LYS 85 -18.503 3.289 -1.374 674 2HG LYS 85 2HG LYS 85 -19.121 2.400 -2.765 675 1HD LYS 85 1HD LYS 85 -20.627 2.946 -0.206 676 2HD LYS 85 2HD LYS 85 -20.859 3.787 -1.739 677 1HE LYS 85 1HE LYS 85 -21.625 1.777 -2.795 678 2HE LYS 85 2HE LYS 85 -21.221 0.820 -1.371 679 1HZ LYS 85 1HZ LYS 85 -22.942 1.870 -0.134 680 2HZ LYS 85 2HZ LYS 85 -23.618 1.376 -1.611 681 3HZ LYS 85 3HZ LYS 85 -23.228 3.006 -1.361 682 H ASN 86 H ASN 86 -18.365 3.407 1.776 683 HA ASN 86 HA ASN 86 -20.839 2.551 3.120 684 1HB ASN 86 1HB ASN 86 -18.641 3.135 4.416 685 2HB ASN 86 2HB ASN 86 -19.094 4.804 4.087 686 1HD2 ASN 86 1HD2 ASN 86 -19.808 1.940 5.880 687 2HD2 ASN 86 2HD2 ASN 86 -21.005 2.639 6.918 688 H ARG 87 H ARG 87 -21.785 4.968 4.019 689 HA ARG 87 HA ARG 87 -22.812 6.084 1.536 690 1HB ARG 87 1HB ARG 87 -23.561 6.508 4.430 691 2HB ARG 87 2HB ARG 87 -24.350 7.321 3.087 692 1HG ARG 87 1HG ARG 87 -25.095 5.180 2.210 693 2HG ARG 87 2HG ARG 87 -24.275 4.346 3.534 694 1HD ARG 87 1HD ARG 87 -25.693 5.407 5.153 695 2HD ARG 87 2HD ARG 87 -26.427 6.417 3.911 696 HE ARG 87 HE ARG 87 -26.749 3.601 3.427 697 1HH1 ARG 87 1HH1 ARG 87 -27.998 6.387 5.125 698 2HH1 ARG 87 2HH1 ARG 87 -29.620 5.775 5.226 699 1HH2 ARG 87 1HH2 ARG 87 -28.890 2.763 3.570 700 2HH2 ARG 87 2HH2 ARG 87 -30.122 3.702 4.356 701 H GLU 88 H GLU 88 -20.079 6.677 2.206 702 HA GLU 88 HA GLU 88 -18.585 8.370 2.298 703 1HB GLU 88 1HB GLU 88 -20.985 10.167 1.874 704 2HB GLU 88 2HB GLU 88 -19.302 10.639 1.695 705 1HG GLU 88 1HG GLU 88 -20.639 8.503 0.053 706 2HG GLU 88 2HG GLU 88 -20.485 10.186 -0.442 707 H GLY 89 H GLY 89 -21.145 10.376 3.673 708 1HA GLY 89 1HA GLY 89 -21.576 11.065 5.815 709 2HA GLY 89 2HA GLY 89 -20.696 9.655 6.376 710 H VAL 90 H VAL 90 -18.583 9.850 6.994 711 HA VAL 90 HA VAL 90 -17.814 12.559 7.696 712 HB VAL 90 HB VAL 90 -16.022 11.410 9.049 713 1HG1 VAL 90 1HG1 VAL 90 -18.886 10.631 9.592 714 2HG1 VAL 90 2HG1 VAL 90 -18.116 12.151 10.041 715 3HG1 VAL 90 3HG1 VAL 90 -17.579 10.641 10.776 716 1HG2 VAL 90 1HG2 VAL 90 -17.534 8.932 8.209 717 2HG2 VAL 90 2HG2 VAL 90 -16.313 9.000 9.479 718 3HG2 VAL 90 3HG2 VAL 90 -15.864 9.324 7.805 719 H VAL 91 H VAL 91 -17.537 12.596 5.159 720 HA VAL 91 HA VAL 91 -15.149 11.514 4.082 721 HB VAL 91 HB VAL 91 -15.526 13.095 2.193 722 1HG1 VAL 91 1HG1 VAL 91 -17.609 12.058 1.435 723 2HG1 VAL 91 2HG1 VAL 91 -17.927 11.503 3.078 724 3HG1 VAL 91 3HG1 VAL 91 -16.533 10.884 2.191 725 1HG2 VAL 91 1HG2 VAL 91 -17.563 14.434 2.142 726 2HG2 VAL 91 2HG2 VAL 91 -16.521 14.938 3.473 727 3HG2 VAL 91 3HG2 VAL 91 -17.943 13.944 3.793 728 HA PRO 92 HA PRO 92 -12.200 14.533 5.469 729 1HB PRO 92 1HB PRO 92 -10.206 13.943 3.761 730 2HB PRO 92 2HB PRO 92 -10.666 12.841 5.066 731 1HG PRO 92 1HG PRO 92 -11.442 12.760 2.169 732 2HG PRO 92 2HG PRO 92 -10.862 11.440 3.202 733 1HD PRO 92 1HD PRO 92 -13.486 11.812 2.673 734 2HD PRO 92 2HD PRO 92 -12.911 11.172 4.227 735 HA PRO 93 HA PRO 93 -12.445 18.076 2.731 736 1HB PRO 93 1HB PRO 93 -9.588 18.536 3.380 737 2HB PRO 93 2HB PRO 93 -10.974 19.615 3.576 738 1HG PRO 93 1HG PRO 93 -9.835 18.440 5.686 739 2HG PRO 93 2HG PRO 93 -11.593 18.669 5.598 740 1HD PRO 93 1HD PRO 93 -9.974 16.194 5.144 741 2HD PRO 93 2HD PRO 93 -11.549 16.379 5.946 742 H VAL 94 H VAL 94 -12.443 17.747 0.602 743 HA VAL 94 HA VAL 94 -10.530 16.047 -0.666 744 HB VAL 94 HB VAL 94 -11.773 16.653 -2.760 745 1HG1 VAL 94 1HG1 VAL 94 -12.353 14.690 -1.435 746 2HG1 VAL 94 2HG1 VAL 94 -13.791 15.415 -2.152 747 3HG1 VAL 94 3HG1 VAL 94 -13.433 15.672 -0.444 748 1HG2 VAL 94 1HG2 VAL 94 -13.892 17.857 -2.548 749 2HG2 VAL 94 2HG2 VAL 94 -12.525 18.884 -2.112 750 3HG2 VAL 94 3HG2 VAL 94 -13.537 18.180 -0.850 751 H GLY 95 H GLY 95 -8.772 16.567 -1.800 752 1HA GLY 95 1HA GLY 95 -8.057 18.446 -3.458 753 2HA GLY 95 2HA GLY 95 -8.055 19.397 -1.980 754 H ILE 96 H ILE 96 -5.761 19.660 -2.710 755 HA ILE 96 HA ILE 96 -4.069 17.369 -2.008 756 HB ILE 96 HB ILE 96 -3.276 20.047 -3.172 757 1HG1 ILE 96 1HG1 ILE 96 -4.639 18.756 -4.745 758 2HG1 ILE 96 2HG1 ILE 96 -2.962 18.813 -5.281 759 1HG2 ILE 96 1HG2 ILE 96 -1.680 17.512 -2.813 760 2HG2 ILE 96 2HG2 ILE 96 -1.477 19.009 -1.903 761 3HG2 ILE 96 3HG2 ILE 96 -1.123 18.972 -3.631 762 1HD1 ILE 96 1HD1 ILE 96 -4.293 16.498 -3.890 763 2HD1 ILE 96 2HD1 ILE 96 -2.616 16.554 -4.429 764 3HD1 ILE 96 3HD1 ILE 96 -3.924 16.608 -5.612 765 H THR 97 H THR 97 -3.052 17.267 -0.108 766 HA THR 97 HA THR 97 -3.619 19.291 1.855 767 HB THR 97 HB THR 97 -2.352 17.699 3.378 768 HG1 THR 97 HG1 THR 97 -1.121 16.541 1.947 769 1HG2 THR 97 1HG2 THR 97 -4.184 16.051 3.403 770 2HG2 THR 97 2HG2 THR 97 -4.731 16.651 1.837 771 3HG2 THR 97 3HG2 THR 97 -4.786 17.701 3.251 772 H ASN 98 H ASN 98 -2.259 20.841 0.489 773 HA ASN 98 HA ASN 98 0.551 20.713 1.319 774 1HB ASN 98 1HB ASN 98 -0.882 22.247 -0.831 775 2HB ASN 98 2HB ASN 98 0.665 22.821 -0.217 776 1HD2 ASN 98 1HD2 ASN 98 -0.040 21.858 -2.869 777 2HD2 ASN 98 2HD2 ASN 98 1.037 20.539 -3.190 Start of MODEL 6 1 H MET 1 H MET 1 -17.757 12.668 -3.158 2 HA MET 1 HA MET 1 -17.873 10.266 -2.860 3 1HB MET 1 1HB MET 1 -20.019 9.953 -4.024 4 2HB MET 1 2HB MET 1 -19.265 10.390 -5.547 5 1HG MET 1 1HG MET 1 -18.232 8.074 -3.972 6 2HG MET 1 2HG MET 1 -19.679 7.903 -4.962 7 1HE MET 1 1HE MET 1 -18.281 8.818 -8.527 8 2HE MET 1 2HE MET 1 -18.979 9.931 -7.351 9 3HE MET 1 3HE MET 1 -19.709 8.347 -7.608 10 H LYS 2 H LYS 2 -15.790 9.857 -3.029 11 HA LYS 2 HA LYS 2 -14.450 10.291 -5.612 12 1HB LYS 2 1HB LYS 2 -13.319 11.055 -2.909 13 2HB LYS 2 2HB LYS 2 -12.431 11.087 -4.424 14 1HG LYS 2 1HG LYS 2 -14.861 12.750 -3.809 15 2HG LYS 2 2HG LYS 2 -13.189 13.307 -3.723 16 1HD LYS 2 1HD LYS 2 -14.528 12.246 -6.206 17 2HD LYS 2 2HD LYS 2 -14.331 13.955 -5.824 18 1HE LYS 2 1HE LYS 2 -11.873 13.591 -5.759 19 2HE LYS 2 2HE LYS 2 -12.142 11.933 -6.294 20 1HZ LYS 2 1HZ LYS 2 -12.880 14.395 -7.784 21 2HZ LYS 2 2HZ LYS 2 -13.190 12.808 -8.305 22 3HZ LYS 2 3HZ LYS 2 -11.589 13.358 -8.153 23 H SER 3 H SER 3 -12.157 9.212 -5.453 24 HA SER 3 HA SER 3 -12.585 6.522 -4.356 25 1HB SER 3 1HB SER 3 -12.170 6.717 -6.796 26 2HB SER 3 2HB SER 3 -10.613 7.469 -6.455 27 HG SER 3 HG SER 3 -11.385 4.866 -5.610 28 H SER 4 H SER 4 -10.538 9.321 -4.196 29 HA SER 4 HA SER 4 -8.365 8.015 -2.852 30 1HB SER 4 1HB SER 4 -8.959 10.972 -3.085 31 2HB SER 4 2HB SER 4 -7.411 10.238 -2.663 32 HG SER 4 HG SER 4 -8.789 9.924 -5.132 33 H ILE 5 H ILE 5 -8.694 7.231 -0.887 34 HA ILE 5 HA ILE 5 -10.289 8.772 1.056 35 HB ILE 5 HB ILE 5 -9.568 5.830 1.046 36 1HG1 ILE 5 1HG1 ILE 5 -12.256 7.153 0.637 37 2HG1 ILE 5 2HG1 ILE 5 -11.244 6.540 -0.666 38 1HG2 ILE 5 1HG2 ILE 5 -11.122 5.623 2.931 39 2HG2 ILE 5 2HG2 ILE 5 -11.324 7.375 2.948 40 3HG2 ILE 5 3HG2 ILE 5 -9.752 6.665 3.320 41 1HD1 ILE 5 1HD1 ILE 5 -11.430 4.286 0.251 42 2HD1 ILE 5 2HD1 ILE 5 -13.016 4.975 -0.097 43 3HD1 ILE 5 3HD1 ILE 5 -12.431 4.902 1.565 44 HA PRO 6 HA PRO 6 -6.538 9.812 3.169 45 1HB PRO 6 1HB PRO 6 -7.542 9.977 5.738 46 2HB PRO 6 2HB PRO 6 -7.612 11.268 4.536 47 1HG PRO 6 1HG PRO 6 -9.710 9.314 5.351 48 2HG PRO 6 2HG PRO 6 -9.875 11.022 4.911 49 1HD PRO 6 1HD PRO 6 -10.532 9.028 3.218 50 2HD PRO 6 2HD PRO 6 -9.861 10.570 2.646 51 H ILE 7 H ILE 7 -4.959 8.943 4.493 52 HA ILE 7 HA ILE 7 -4.938 6.118 4.544 53 HB ILE 7 HB ILE 7 -2.900 7.390 4.168 54 1HG1 ILE 7 1HG1 ILE 7 -1.391 6.176 5.714 55 2HG1 ILE 7 2HG1 ILE 7 -2.786 5.730 6.692 56 1HG2 ILE 7 1HG2 ILE 7 -3.172 8.271 7.031 57 2HG2 ILE 7 2HG2 ILE 7 -3.333 9.286 5.598 58 3HG2 ILE 7 3HG2 ILE 7 -1.773 8.566 5.996 59 1HD1 ILE 7 1HD1 ILE 7 -3.702 4.488 4.797 60 2HD1 ILE 7 2HD1 ILE 7 -2.105 3.903 5.264 61 3HD1 ILE 7 3HD1 ILE 7 -2.288 4.925 3.838 62 H THR 8 H THR 8 -5.697 8.511 6.978 63 HA THR 8 HA THR 8 -5.359 6.936 9.265 64 HB THR 8 HB THR 8 -5.784 9.387 9.306 65 HG1 THR 8 HG1 THR 8 -6.147 7.930 11.153 66 1HG2 THR 8 1HG2 THR 8 -7.607 9.495 7.676 67 2HG2 THR 8 2HG2 THR 8 -8.093 10.209 9.213 68 3HG2 THR 8 3HG2 THR 8 -8.652 8.595 8.774 69 H GLU 9 H GLU 9 -7.745 6.804 6.784 70 HA GLU 9 HA GLU 9 -9.523 5.119 8.378 71 1HB GLU 9 1HB GLU 9 -9.760 6.042 5.503 72 2HB GLU 9 2HB GLU 9 -11.002 5.211 6.426 73 1HG GLU 9 1HG GLU 9 -9.893 7.922 7.113 74 2HG GLU 9 2HG GLU 9 -11.381 7.641 6.210 75 H VAL 10 H VAL 10 -7.592 5.017 5.417 76 HA VAL 10 HA VAL 10 -8.330 2.368 4.728 77 HB VAL 10 HB VAL 10 -6.052 4.086 3.744 78 1HG1 VAL 10 1HG1 VAL 10 -5.550 1.725 3.369 79 2HG1 VAL 10 2HG1 VAL 10 -5.913 2.543 1.849 80 3HG1 VAL 10 3HG1 VAL 10 -7.123 1.506 2.603 81 1HG2 VAL 10 1HG2 VAL 10 -8.233 5.020 3.262 82 2HG2 VAL 10 2HG2 VAL 10 -8.778 3.476 2.606 83 3HG2 VAL 10 3HG2 VAL 10 -7.518 4.389 1.777 84 H LEU 11 H LEU 11 -5.569 3.727 6.467 85 HA LEU 11 HA LEU 11 -3.854 1.553 6.380 86 1HB LEU 11 1HB LEU 11 -2.941 3.524 7.185 87 2HB LEU 11 2HB LEU 11 -4.248 3.790 8.318 88 HG LEU 11 HG LEU 11 -3.399 1.952 9.717 89 1HD1 LEU 11 1HD1 LEU 11 -2.296 0.640 7.998 90 2HD1 LEU 11 2HD1 LEU 11 -1.174 1.043 9.299 91 3HD1 LEU 11 3HD1 LEU 11 -1.101 1.918 7.769 92 1HD2 LEU 11 1HD2 LEU 11 -1.378 4.098 9.086 93 2HD2 LEU 11 2HD2 LEU 11 -1.441 3.140 10.566 94 3HD2 LEU 11 3HD2 LEU 11 -2.754 4.251 10.181 95 HA PRO 12 HA PRO 12 -5.582 -0.260 10.487 96 1HB PRO 12 1HB PRO 12 -7.986 0.675 11.393 97 2HB PRO 12 2HB PRO 12 -6.419 1.282 11.940 98 1HG PRO 12 1HG PRO 12 -8.287 2.425 9.904 99 2HG PRO 12 2HG PRO 12 -7.352 3.255 11.159 100 1HD PRO 12 1HD PRO 12 -6.566 3.218 8.588 101 2HD PRO 12 2HD PRO 12 -5.407 3.201 9.928 102 H ARG 13 H ARG 13 -7.870 0.738 7.986 103 HA ARG 13 HA ARG 13 -9.413 -1.703 8.346 104 1HB ARG 13 1HB ARG 13 -9.721 0.665 6.506 105 2HB ARG 13 2HB ARG 13 -10.777 -0.738 6.465 106 1HG ARG 13 1HG ARG 13 -11.471 -0.325 8.748 107 2HG ARG 13 2HG ARG 13 -10.353 1.037 8.855 108 1HD ARG 13 1HD ARG 13 -11.581 2.171 7.061 109 2HD ARG 13 2HD ARG 13 -12.707 0.815 6.984 110 HE ARG 13 HE ARG 13 -13.237 1.388 9.380 111 1HH1 ARG 13 1HH1 ARG 13 -12.081 3.771 7.111 112 2HH1 ARG 13 2HH1 ARG 13 -12.771 5.125 7.960 113 1HH2 ARG 13 1HH2 ARG 13 -14.181 3.154 10.500 114 2HH2 ARG 13 2HH2 ARG 13 -13.992 4.765 9.870 115 H ALA 14 H ALA 14 -6.542 -1.229 7.010 116 HA ALA 14 HA ALA 14 -7.021 -2.560 4.465 117 1HB ALA 14 1HB ALA 14 -4.666 -2.228 4.031 118 2HB ALA 14 2HB ALA 14 -4.401 -1.706 5.695 119 3HB ALA 14 3HB ALA 14 -5.380 -0.722 4.608 120 H VAL 15 H VAL 15 -6.030 -4.521 3.876 121 HA VAL 15 HA VAL 15 -5.301 -6.264 6.144 122 HB VAL 15 HB VAL 15 -6.330 -8.153 4.881 123 1HG1 VAL 15 1HG1 VAL 15 -8.660 -7.577 5.413 124 2HG1 VAL 15 2HG1 VAL 15 -8.192 -5.887 5.595 125 3HG1 VAL 15 3HG1 VAL 15 -7.554 -7.104 6.701 126 1HG2 VAL 15 1HG2 VAL 15 -7.929 -7.619 3.085 127 2HG2 VAL 15 2HG2 VAL 15 -6.269 -7.208 2.651 128 3HG2 VAL 15 3HG2 VAL 15 -7.396 -5.938 3.133 129 H GLY 16 H GLY 16 -4.038 -4.729 3.620 130 1HA GLY 16 1HA GLY 16 -1.826 -6.534 3.386 131 2HA GLY 16 2HA GLY 16 -2.786 -6.438 1.912 132 H SER 17 H SER 17 -0.025 -5.520 2.385 133 HA SER 17 HA SER 17 -0.421 -2.763 1.521 134 1HB SER 17 1HB SER 17 1.552 -3.384 3.717 135 2HB SER 17 2HB SER 17 1.014 -1.804 3.151 136 HG SER 17 HG SER 17 -0.593 -3.738 4.474 137 H LEU 18 H LEU 18 0.871 -2.267 -0.113 138 HA LEU 18 HA LEU 18 3.226 -3.954 -0.613 139 1HB LEU 18 1HB LEU 18 1.304 -2.544 -2.388 140 2HB LEU 18 2HB LEU 18 2.966 -2.671 -2.924 141 HG LEU 18 HG LEU 18 1.243 -5.025 -2.161 142 1HD1 LEU 18 1HD1 LEU 18 1.988 -3.959 -4.881 143 2HD1 LEU 18 2HD1 LEU 18 0.375 -3.959 -4.166 144 3HD1 LEU 18 3HD1 LEU 18 1.162 -5.485 -4.569 145 1HD2 LEU 18 1HD2 LEU 18 3.919 -4.883 -3.540 146 2HD2 LEU 18 2HD2 LEU 18 3.006 -6.347 -3.180 147 3HD2 LEU 18 3HD2 LEU 18 3.656 -5.368 -1.864 148 H THR 19 H THR 19 5.112 -3.067 -0.146 149 HA THR 19 HA THR 19 5.311 -0.171 0.146 150 HB THR 19 HB THR 19 7.409 -2.268 0.751 151 HG1 THR 19 HG1 THR 19 6.654 -1.852 2.975 152 1HG2 THR 19 1HG2 THR 19 7.106 0.603 1.648 153 2HG2 THR 19 2HG2 THR 19 8.299 -0.006 0.499 154 3HG2 THR 19 3HG2 THR 19 8.362 -0.513 2.188 155 H PHE 20 H PHE 20 5.867 0.960 -1.585 156 HA PHE 20 HA PHE 20 7.736 -0.212 -3.533 157 1HB PHE 20 1HB PHE 20 5.473 1.739 -3.825 158 2HB PHE 20 2HB PHE 20 6.792 1.750 -4.984 159 HD1 PHE 20 HD1 PHE 20 4.575 -0.772 -3.346 160 HD2 PHE 20 HD2 PHE 20 6.441 0.619 -6.905 161 HE1 PHE 20 HE1 PHE 20 3.468 -2.560 -4.625 162 HE2 PHE 20 HE2 PHE 20 5.345 -1.166 -8.188 163 HZ PHE 20 HZ PHE 20 3.858 -2.752 -7.044 164 H ASP 21 H ASP 21 9.372 1.099 -4.383 165 HA ASP 21 HA ASP 21 10.406 3.065 -2.525 166 1HB ASP 21 1HB ASP 21 11.922 1.392 -3.481 167 2HB ASP 21 2HB ASP 21 11.534 1.943 -5.105 168 H GLU 22 H GLU 22 11.371 5.106 -3.480 169 HA GLU 22 HA GLU 22 9.381 6.690 -4.654 170 1HB GLU 22 1HB GLU 22 11.191 8.375 -4.862 171 2HB GLU 22 2HB GLU 22 11.104 7.653 -3.263 172 1HG GLU 22 1HG GLU 22 12.954 6.137 -3.902 173 2HG GLU 22 2HG GLU 22 13.080 7.000 -5.433 174 H ASN 23 H ASN 23 11.875 4.696 -6.026 175 HA ASN 23 HA ASN 23 11.589 5.809 -8.686 176 1HB ASN 23 1HB ASN 23 13.145 3.456 -7.603 177 2HB ASN 23 2HB ASN 23 13.142 3.924 -9.295 178 1HD2 ASN 23 1HD2 ASN 23 14.136 4.774 -6.088 179 2HD2 ASN 23 2HD2 ASN 23 15.286 5.996 -6.549 180 H TYR 24 H TYR 24 9.493 4.244 -6.990 181 HA TYR 24 HA TYR 24 7.607 3.105 -7.453 182 1HB TYR 24 1HB TYR 24 8.448 3.549 -10.320 183 2HB TYR 24 2HB TYR 24 6.856 2.994 -9.805 184 HD1 TYR 24 HD1 TYR 24 8.880 5.836 -10.498 185 HD2 TYR 24 HD2 TYR 24 5.552 4.531 -8.198 186 HE1 TYR 24 HE1 TYR 24 8.158 8.171 -10.232 187 HE2 TYR 24 HE2 TYR 24 4.816 6.860 -7.928 188 HH TYR 24 HH TYR 24 5.988 9.172 -7.966 189 H ASN 25 H ASN 25 10.081 1.614 -7.035 190 HA ASN 25 HA ASN 25 9.325 -0.853 -8.443 191 1HB ASN 25 1HB ASN 25 11.551 -1.746 -7.787 192 2HB ASN 25 2HB ASN 25 11.642 -0.354 -8.858 193 1HD2 ASN 25 1HD2 ASN 25 12.554 1.505 -8.149 194 2HD2 ASN 25 2HD2 ASN 25 13.363 1.651 -6.626 195 H LEU 26 H LEU 26 8.919 -2.723 -7.301 196 HA LEU 26 HA LEU 26 7.759 -2.411 -4.749 197 1HB LEU 26 1HB LEU 26 6.959 -4.081 -6.297 198 2HB LEU 26 2HB LEU 26 8.523 -4.871 -6.320 199 HG LEU 26 HG LEU 26 8.243 -5.567 -4.001 200 1HD1 LEU 26 1HD1 LEU 26 6.085 -5.201 -2.864 201 2HD1 LEU 26 2HD1 LEU 26 5.603 -4.128 -4.178 202 3HD1 LEU 26 3HD1 LEU 26 6.972 -3.705 -3.150 203 1HD2 LEU 26 1HD2 LEU 26 7.398 -7.030 -5.755 204 2HD2 LEU 26 2HD2 LEU 26 5.841 -6.206 -5.711 205 3HD2 LEU 26 3HD2 LEU 26 6.387 -7.133 -4.313 206 H LEU 27 H LEU 27 8.614 -2.491 -2.796 207 HA LEU 27 HA LEU 27 11.364 -3.468 -2.476 208 1HB LEU 27 1HB LEU 27 9.649 -1.776 -0.653 209 2HB LEU 27 2HB LEU 27 11.295 -2.270 -0.311 210 HG LEU 27 HG LEU 27 10.484 -0.515 -2.629 211 1HD1 LEU 27 1HD1 LEU 27 11.486 1.304 -1.335 212 2HD1 LEU 27 2HD1 LEU 27 11.741 0.203 0.017 213 3HD1 LEU 27 3HD1 LEU 27 10.101 0.602 -0.498 214 1HD2 LEU 27 1HD2 LEU 27 12.513 -1.789 -3.052 215 2HD2 LEU 27 2HD2 LEU 27 13.188 -1.257 -1.512 216 3HD2 LEU 27 3HD2 LEU 27 12.897 -0.086 -2.798 217 H ASP 28 H ASP 28 8.202 -3.576 -0.853 218 HA ASP 28 HA ASP 28 8.811 -6.238 0.173 219 1HB ASP 28 1HB ASP 28 9.660 -4.835 1.921 220 2HB ASP 28 2HB ASP 28 8.234 -3.809 1.868 221 H THR 29 H THR 29 7.006 -7.465 0.695 222 HA THR 29 HA THR 29 4.398 -6.272 -0.004 223 HB THR 29 HB THR 29 5.302 -9.083 -0.653 224 HG1 THR 29 HG1 THR 29 5.914 -6.822 -1.877 225 1HG2 THR 29 1HG2 THR 29 3.289 -9.136 -2.053 226 2HG2 THR 29 2HG2 THR 29 2.860 -7.522 -1.488 227 3HG2 THR 29 3HG2 THR 29 2.893 -8.873 -0.354 228 H SER 30 H SER 30 2.932 -6.444 1.605 229 HA SER 30 HA SER 30 3.212 -8.673 3.513 230 1HB SER 30 1HB SER 30 2.485 -5.834 4.267 231 2HB SER 30 2HB SER 30 2.729 -7.193 5.365 232 HG SER 30 HG SER 30 4.587 -5.625 4.002 233 H GLY 31 H GLY 31 1.288 -9.407 4.484 234 1HA GLY 31 1HA GLY 31 -0.975 -9.652 4.821 235 2HA GLY 31 2HA GLY 31 -1.221 -8.100 4.039 236 H VAL 32 H VAL 32 -3.008 -8.847 2.922 237 HA VAL 32 HA VAL 32 -3.077 -11.172 1.336 238 HB VAL 32 HB VAL 32 -4.694 -8.647 0.954 239 1HG1 VAL 32 1HG1 VAL 32 -6.364 -10.128 -0.028 240 2HG1 VAL 32 2HG1 VAL 32 -5.281 -11.504 0.187 241 3HG1 VAL 32 3HG1 VAL 32 -4.847 -10.203 -0.922 242 1HG2 VAL 32 1HG2 VAL 32 -6.350 -9.698 2.409 243 2HG2 VAL 32 2HG2 VAL 32 -4.823 -9.438 3.253 244 3HG2 VAL 32 3HG2 VAL 32 -5.250 -11.052 2.682 245 H ALA 33 H ALA 33 -1.574 -8.149 0.822 246 HA ALA 33 HA ALA 33 -1.680 -7.906 -1.968 247 1HB ALA 33 1HB ALA 33 0.278 -6.481 -1.754 248 2HB ALA 33 2HB ALA 33 0.549 -7.077 -0.116 249 3HB ALA 33 3HB ALA 33 -0.890 -6.127 -0.480 250 H LYS 34 H LYS 34 -0.046 -10.181 0.006 251 HA LYS 34 HA LYS 34 2.058 -10.808 -1.816 252 1HB LYS 34 1HB LYS 34 0.897 -12.415 0.466 253 2HB LYS 34 2HB LYS 34 2.376 -12.798 -0.397 254 1HG LYS 34 1HG LYS 34 3.292 -10.599 0.331 255 2HG LYS 34 2HG LYS 34 1.853 -10.398 1.329 256 1HD LYS 34 1HD LYS 34 3.798 -12.693 1.550 257 2HD LYS 34 2HD LYS 34 3.801 -11.268 2.587 258 1HE LYS 34 1HE LYS 34 1.556 -11.817 3.365 259 2HE LYS 34 2HE LYS 34 1.523 -13.223 2.301 260 1HZ LYS 34 1HZ LYS 34 2.086 -13.796 4.601 261 2HZ LYS 34 2HZ LYS 34 3.466 -12.813 4.510 262 3HZ LYS 34 3HZ LYS 34 3.340 -14.187 3.526 263 H VAL 35 H VAL 35 -1.158 -12.146 -1.173 264 HA VAL 35 HA VAL 35 -0.784 -14.217 -3.164 265 HB VAL 35 HB VAL 35 -3.081 -14.912 -2.626 266 1HG1 VAL 35 1HG1 VAL 35 -1.294 -14.446 -0.245 267 2HG1 VAL 35 2HG1 VAL 35 -1.271 -15.836 -1.330 268 3HG1 VAL 35 3HG1 VAL 35 -2.659 -15.561 -0.279 269 1HG2 VAL 35 1HG2 VAL 35 -3.050 -12.579 -0.715 270 2HG2 VAL 35 2HG2 VAL 35 -4.282 -13.839 -0.772 271 3HG2 VAL 35 3HG2 VAL 35 -4.071 -12.751 -2.143 272 H ILE 36 H ILE 36 -1.919 -11.007 -3.059 273 HA ILE 36 HA ILE 36 -3.539 -11.142 -5.428 274 HB ILE 36 HB ILE 36 -2.312 -8.805 -3.950 275 1HG1 ILE 36 1HG1 ILE 36 -5.195 -9.710 -4.125 276 2HG1 ILE 36 2HG1 ILE 36 -4.111 -10.128 -2.803 277 1HG2 ILE 36 1HG2 ILE 36 -2.599 -8.204 -6.286 278 2HG2 ILE 36 2HG2 ILE 36 -3.784 -7.367 -5.284 279 3HG2 ILE 36 3HG2 ILE 36 -4.271 -8.765 -6.244 280 1HD1 ILE 36 1HD1 ILE 36 -5.574 -8.270 -2.231 281 2HD1 ILE 36 2HD1 ILE 36 -4.927 -7.341 -3.583 282 3HD1 ILE 36 3HD1 ILE 36 -3.879 -7.784 -2.234 283 H GLU 37 H GLU 37 -2.956 -10.560 -7.515 284 HA GLU 37 HA GLU 37 -0.270 -11.158 -8.233 285 1HB GLU 37 1HB GLU 37 -1.032 -10.690 -10.551 286 2HB GLU 37 2HB GLU 37 -2.029 -11.861 -9.701 287 1HG GLU 37 1HG GLU 37 -3.707 -10.151 -9.286 288 2HG GLU 37 2HG GLU 37 -2.698 -8.954 -10.099 289 H LYS 38 H LYS 38 1.249 -9.880 -9.270 290 HA LYS 38 HA LYS 38 1.192 -7.122 -8.354 291 1HB LYS 38 1HB LYS 38 3.354 -8.951 -9.329 292 2HB LYS 38 2HB LYS 38 3.612 -7.213 -9.348 293 1HG LYS 38 1HG LYS 38 4.522 -8.269 -7.333 294 2HG LYS 38 2HG LYS 38 3.262 -7.095 -6.958 295 1HD LYS 38 1HD LYS 38 1.660 -8.845 -6.590 296 2HD LYS 38 2HD LYS 38 2.798 -10.065 -7.157 297 1HE LYS 38 1HE LYS 38 4.266 -9.571 -5.263 298 2HE LYS 38 2HE LYS 38 3.133 -8.339 -4.704 299 1HZ LYS 38 1HZ LYS 38 2.409 -11.201 -5.029 300 2HZ LYS 38 2HZ LYS 38 1.508 -9.987 -4.255 301 3HZ LYS 38 3HZ LYS 38 2.959 -10.537 -3.568 302 H SER 39 H SER 39 -0.382 -6.387 -9.823 303 HA SER 39 HA SER 39 0.089 -6.302 -12.636 304 1HB SER 39 1HB SER 39 -1.689 -4.578 -10.883 305 2HB SER 39 2HB SER 39 -1.783 -4.696 -12.642 306 HG SER 39 HG SER 39 -1.911 -7.146 -11.891 307 HA PRO 40 HA PRO 40 2.614 -2.591 -13.005 308 1HB PRO 40 1HB PRO 40 1.250 -1.003 -14.753 309 2HB PRO 40 2HB PRO 40 2.160 -2.434 -15.251 310 1HG PRO 40 1HG PRO 40 -0.777 -2.130 -14.765 311 2HG PRO 40 2HG PRO 40 0.058 -2.966 -16.086 312 1HD PRO 40 1HD PRO 40 -0.979 -4.299 -13.994 313 2HD PRO 40 2HD PRO 40 0.517 -4.824 -14.790 314 H ILE 41 H ILE 41 1.282 -2.525 -10.698 315 HA ILE 41 HA ILE 41 -0.540 -0.437 -10.263 316 HB ILE 41 HB ILE 41 1.408 -1.717 -8.335 317 1HG1 ILE 41 1HG1 ILE 41 -1.502 -2.302 -8.930 318 2HG1 ILE 41 2HG1 ILE 41 -0.134 -3.306 -9.398 319 1HG2 ILE 41 1HG2 ILE 41 0.614 0.419 -7.479 320 2HG2 ILE 41 2HG2 ILE 41 -0.090 -0.917 -6.568 321 3HG2 ILE 41 3HG2 ILE 41 -1.054 -0.067 -7.774 322 1HD1 ILE 41 1HD1 ILE 41 -1.008 -2.714 -6.581 323 2HD1 ILE 41 2HD1 ILE 41 0.363 -3.722 -7.048 324 3HD1 ILE 41 3HD1 ILE 41 -1.279 -4.216 -7.466 325 H ALA 42 H ALA 42 2.958 -0.517 -10.387 326 HA ALA 42 HA ALA 42 3.590 1.913 -9.183 327 1HB ALA 42 1HB ALA 42 5.249 0.240 -9.894 328 2HB ALA 42 2HB ALA 42 5.642 1.856 -10.482 329 3HB ALA 42 3HB ALA 42 4.941 0.666 -11.577 330 H GLU 43 H GLU 43 2.431 1.209 -12.414 331 HA GLU 43 HA GLU 43 2.746 3.740 -13.589 332 1HB GLU 43 1HB GLU 43 2.225 1.685 -14.843 333 2HB GLU 43 2HB GLU 43 0.644 1.623 -14.087 334 1HG GLU 43 1HG GLU 43 0.345 2.478 -16.267 335 2HG GLU 43 2HG GLU 43 0.134 3.823 -15.146 336 H ILE 44 H ILE 44 0.166 2.347 -11.619 337 HA ILE 44 HA ILE 44 -1.514 4.663 -11.947 338 HB ILE 44 HB ILE 44 -1.923 2.568 -9.835 339 1HG1 ILE 44 1HG1 ILE 44 -1.462 1.357 -11.928 340 2HG1 ILE 44 2HG1 ILE 44 -3.152 1.202 -11.463 341 1HG2 ILE 44 1HG2 ILE 44 -4.288 3.063 -10.255 342 2HG2 ILE 44 2HG2 ILE 44 -3.824 4.211 -11.511 343 3HG2 ILE 44 3HG2 ILE 44 -3.391 4.521 -9.829 344 1HD1 ILE 44 1HD1 ILE 44 -3.756 2.898 -13.107 345 2HD1 ILE 44 2HD1 ILE 44 -2.917 1.536 -13.851 346 3HD1 ILE 44 3HD1 ILE 44 -2.060 3.052 -13.571 347 H ILE 45 H ILE 45 0.869 3.482 -9.698 348 HA ILE 45 HA ILE 45 0.290 5.124 -7.491 349 HB ILE 45 HB ILE 45 2.966 4.053 -8.412 350 1HG1 ILE 45 1HG1 ILE 45 1.027 3.074 -6.305 351 2HG1 ILE 45 2HG1 ILE 45 1.349 2.300 -7.854 352 1HG2 ILE 45 1HG2 ILE 45 3.299 5.980 -6.978 353 2HG2 ILE 45 2HG2 ILE 45 3.738 4.502 -6.122 354 3HG2 ILE 45 3HG2 ILE 45 2.205 5.300 -5.774 355 1HD1 ILE 45 1HD1 ILE 45 3.663 1.894 -7.154 356 2HD1 ILE 45 2HD1 ILE 45 2.493 1.146 -6.064 357 3HD1 ILE 45 3HD1 ILE 45 3.309 2.639 -5.593 358 H ARG 46 H ARG 46 2.464 5.633 -10.266 359 HA ARG 46 HA ARG 46 3.303 8.205 -9.492 360 1HB ARG 46 1HB ARG 46 3.918 8.449 -11.928 361 2HB ARG 46 2HB ARG 46 4.629 7.082 -11.091 362 1HG ARG 46 1HG ARG 46 3.263 5.552 -12.188 363 2HG ARG 46 2HG ARG 46 2.124 6.798 -12.698 364 1HD ARG 46 1HD ARG 46 4.948 6.437 -13.692 365 2HD ARG 46 2HD ARG 46 3.467 6.053 -14.576 366 HE ARG 46 HE ARG 46 4.506 8.731 -13.964 367 1HH1 ARG 46 1HH1 ARG 46 2.143 6.698 -15.582 368 2HH1 ARG 46 2HH1 ARG 46 1.443 8.025 -16.474 369 1HH2 ARG 46 1HH2 ARG 46 3.585 10.453 -15.125 370 2HH2 ARG 46 2HH2 ARG 46 2.244 10.164 -16.191 371 H LYS 47 H LYS 47 0.646 7.130 -11.603 372 HA LYS 47 HA LYS 47 -0.228 9.681 -12.386 373 1HB LYS 47 1HB LYS 47 -1.827 7.143 -11.984 374 2HB LYS 47 2HB LYS 47 -2.433 8.585 -12.788 375 1HG LYS 47 1HG LYS 47 -0.741 8.360 -14.512 376 2HG LYS 47 2HG LYS 47 -0.076 6.946 -13.693 377 1HD LYS 47 1HD LYS 47 -2.256 5.808 -13.985 378 2HD LYS 47 2HD LYS 47 -2.829 7.205 -14.901 379 1HE LYS 47 1HE LYS 47 -1.036 6.855 -16.535 380 2HE LYS 47 2HE LYS 47 -0.480 5.457 -15.620 381 1HZ LYS 47 1HZ LYS 47 -2.659 4.417 -16.034 382 2HZ LYS 47 2HZ LYS 47 -1.812 4.738 -17.462 383 3HZ LYS 47 3HZ LYS 47 -3.098 5.740 -17.000 384 H SER 48 H SER 48 -1.186 7.664 -9.631 385 HA SER 48 HA SER 48 -3.035 9.506 -8.546 386 1HB SER 48 1HB SER 48 -1.477 7.343 -7.112 387 2HB SER 48 2HB SER 48 -2.968 8.104 -6.565 388 HG SER 48 HG SER 48 -2.581 6.378 -8.775 389 H ASN 49 H ASN 49 0.423 9.138 -8.297 390 HA ASN 49 HA ASN 49 0.864 10.674 -5.969 391 1HB ASN 49 1HB ASN 49 2.619 9.256 -6.837 392 2HB ASN 49 2HB ASN 49 2.625 10.125 -8.367 393 1HD2 ASN 49 1HD2 ASN 49 3.832 11.934 -8.571 394 2HD2 ASN 49 2HD2 ASN 49 4.821 12.593 -7.310 395 H ALA 50 H ALA 50 0.453 11.501 -9.342 396 HA ALA 50 HA ALA 50 1.058 14.285 -8.964 397 1HB ALA 50 1HB ALA 50 1.404 13.139 -11.121 398 2HB ALA 50 2HB ALA 50 0.369 14.559 -11.265 399 3HB ALA 50 3HB ALA 50 -0.343 12.945 -11.274 400 H GLU 51 H GLU 51 -1.761 12.264 -8.800 401 HA GLU 51 HA GLU 51 -3.676 14.378 -8.978 402 1HB GLU 51 1HB GLU 51 -3.906 11.524 -8.028 403 2HB GLU 51 2HB GLU 51 -5.271 12.623 -8.151 404 1HG GLU 51 1HG GLU 51 -3.519 11.720 -10.425 405 2HG GLU 51 2HG GLU 51 -5.148 11.144 -10.069 406 H LEU 52 H LEU 52 -2.367 12.475 -6.253 407 HA LEU 52 HA LEU 52 -3.746 14.337 -4.437 408 1HB LEU 52 1HB LEU 52 -4.017 12.376 -2.899 409 2HB LEU 52 2HB LEU 52 -4.988 12.344 -4.358 410 HG LEU 52 HG LEU 52 -3.232 10.809 -5.353 411 1HD1 LEU 52 1HD1 LEU 52 -2.373 10.577 -2.474 412 2HD1 LEU 52 2HD1 LEU 52 -1.425 11.290 -3.779 413 3HD1 LEU 52 3HD1 LEU 52 -1.820 9.570 -3.813 414 1HD2 LEU 52 1HD2 LEU 52 -5.392 10.031 -4.572 415 2HD2 LEU 52 2HD2 LEU 52 -4.752 9.867 -2.937 416 3HD2 LEU 52 3HD2 LEU 52 -4.127 8.848 -4.233 417 H GLY 53 H GLY 53 -2.951 13.798 -2.076 418 1HA GLY 53 1HA GLY 53 -0.020 13.498 -2.077 419 2HA GLY 53 2HA GLY 53 -0.811 14.760 -1.137 420 H ARG 54 H ARG 54 -2.581 13.899 0.384 421 HA ARG 54 HA ARG 54 -1.285 11.788 1.943 422 1HB ARG 54 1HB ARG 54 -1.828 14.047 2.932 423 2HB ARG 54 2HB ARG 54 -3.528 13.626 2.793 424 1HG ARG 54 1HG ARG 54 -2.880 13.199 5.029 425 2HG ARG 54 2HG ARG 54 -3.061 11.634 4.238 426 1HD ARG 54 1HD ARG 54 -1.069 11.560 5.552 427 2HD ARG 54 2HD ARG 54 -0.593 11.628 3.856 428 HE ARG 54 HE ARG 54 -0.721 14.203 5.160 429 1HH1 ARG 54 1HH1 ARG 54 1.310 11.443 4.428 430 2HH1 ARG 54 2HH1 ARG 54 2.796 12.315 4.647 431 1HH2 ARG 54 1HH2 ARG 54 1.210 15.353 5.436 432 2HH2 ARG 54 2HH2 ARG 54 2.742 14.555 5.223 433 H LEU 55 H LEU 55 -3.832 12.046 -0.215 434 HA LEU 55 HA LEU 55 -5.593 10.184 1.143 435 1HB LEU 55 1HB LEU 55 -5.766 11.363 -1.630 436 2HB LEU 55 2HB LEU 55 -6.969 10.308 -0.920 437 HG LEU 55 HG LEU 55 -7.895 12.414 -0.685 438 1HD1 LEU 55 1HD1 LEU 55 -7.843 12.965 1.691 439 2HD1 LEU 55 2HD1 LEU 55 -6.424 11.937 1.895 440 3HD1 LEU 55 3HD1 LEU 55 -7.967 11.226 1.423 441 1HD2 LEU 55 1HD2 LEU 55 -5.206 13.455 0.179 442 2HD2 LEU 55 2HD2 LEU 55 -6.690 14.400 0.061 443 3HD2 LEU 55 3HD2 LEU 55 -5.970 13.705 -1.391 444 H GLY 56 H GLY 56 -6.390 8.260 -0.091 445 1HA GLY 56 1HA GLY 56 -4.164 6.969 -1.540 446 2HA GLY 56 2HA GLY 56 -5.232 6.112 -0.438 447 H TYR 57 H TYR 57 -4.720 7.208 -3.594 448 HA TYR 57 HA TYR 57 -7.390 6.943 -4.595 449 1HB TYR 57 1HB TYR 57 -5.561 8.359 -5.598 450 2HB TYR 57 2HB TYR 57 -4.766 6.880 -6.103 451 HD1 TYR 57 HD1 TYR 57 -5.503 5.689 -8.041 452 HD2 TYR 57 HD2 TYR 57 -7.682 9.057 -6.628 453 HE1 TYR 57 HE1 TYR 57 -6.721 5.783 -10.170 454 HE2 TYR 57 HE2 TYR 57 -8.915 9.155 -8.751 455 HH TYR 57 HH TYR 57 -8.611 8.454 -11.081 456 H SER 58 H SER 58 -8.370 5.122 -5.402 457 HA SER 58 HA SER 58 -7.212 2.592 -4.870 458 1HB SER 58 1HB SER 58 -9.622 3.299 -6.559 459 2HB SER 58 2HB SER 58 -9.207 1.678 -5.995 460 HG SER 58 HG SER 58 -10.752 3.164 -4.729 461 H VAL 59 H VAL 59 -5.568 1.818 -5.942 462 HA VAL 59 HA VAL 59 -5.164 2.537 -8.744 463 HB VAL 59 HB VAL 59 -2.886 1.637 -8.449 464 1HG1 VAL 59 1HG1 VAL 59 -3.682 3.594 -6.293 465 2HG1 VAL 59 2HG1 VAL 59 -3.365 3.998 -7.981 466 3HG1 VAL 59 3HG1 VAL 59 -2.065 3.378 -6.965 467 1HG2 VAL 59 1HG2 VAL 59 -3.389 -0.075 -6.770 468 2HG2 VAL 59 2HG2 VAL 59 -3.719 1.189 -5.582 469 3HG2 VAL 59 3HG2 VAL 59 -2.090 0.993 -6.234 470 H TYR 60 H TYR 60 -5.772 -0.204 -6.680 471 HA TYR 60 HA TYR 60 -6.044 -1.881 -9.078 472 1HB TYR 60 1HB TYR 60 -3.939 -2.499 -7.987 473 2HB TYR 60 2HB TYR 60 -4.773 -2.701 -6.451 474 HD1 TYR 60 HD1 TYR 60 -4.355 -4.106 -9.842 475 HD2 TYR 60 HD2 TYR 60 -5.943 -4.719 -5.942 476 HE1 TYR 60 HE1 TYR 60 -4.766 -6.467 -10.387 477 HE2 TYR 60 HE2 TYR 60 -6.356 -7.083 -6.476 478 HH TYR 60 HH TYR 60 -6.656 -8.527 -8.364 479 H GLU 61 H GLU 61 -8.151 -2.341 -9.222 480 HA GLU 61 HA GLU 61 -9.594 -2.862 -6.713 481 1HB GLU 61 1HB GLU 61 -10.503 -1.000 -8.049 482 2HB GLU 61 2HB GLU 61 -10.747 -2.102 -9.401 483 1HG GLU 61 1HG GLU 61 -12.284 -3.427 -8.017 484 2HG GLU 61 2HG GLU 61 -12.073 -2.272 -6.704 485 H ASP 62 H ASP 62 -9.785 -4.911 -6.292 486 HA ASP 62 HA ASP 62 -9.974 -6.853 -8.491 487 1HB ASP 62 1HB ASP 62 -8.143 -7.023 -6.685 488 2HB ASP 62 2HB ASP 62 -9.436 -7.437 -5.568 489 H ALA 63 H ALA 63 -11.397 -8.849 -7.643 490 HA ALA 63 HA ALA 63 -13.981 -7.714 -7.036 491 1HB ALA 63 1HB ALA 63 -14.824 -9.996 -7.302 492 2HB ALA 63 2HB ALA 63 -13.172 -10.604 -7.383 493 3HB ALA 63 3HB ALA 63 -13.786 -9.548 -8.656 494 H GLN 64 H GLN 64 -11.348 -8.883 -5.343 495 HA GLN 64 HA GLN 64 -12.917 -9.598 -2.969 496 1HB GLN 64 1HB GLN 64 -9.955 -9.928 -3.460 497 2HB GLN 64 2HB GLN 64 -10.900 -10.646 -2.160 498 1HG GLN 64 1HG GLN 64 -12.019 -12.097 -3.646 499 2HG GLN 64 2HG GLN 64 -11.417 -11.229 -5.058 500 1HE2 GLN 64 1HE2 GLN 64 -9.249 -11.441 -5.640 501 2HE2 GLN 64 2HE2 GLN 64 -8.312 -12.810 -5.123 502 H TYR 65 H TYR 65 -10.021 -7.686 -3.841 503 HA TYR 65 HA TYR 65 -10.566 -5.960 -1.521 504 1HB TYR 65 1HB TYR 65 -7.829 -6.950 -2.337 505 2HB TYR 65 2HB TYR 65 -8.196 -5.914 -0.967 506 HD1 TYR 65 HD1 TYR 65 -8.162 -9.335 -2.221 507 HD2 TYR 65 HD2 TYR 65 -9.322 -6.828 1.013 508 HE1 TYR 65 HE1 TYR 65 -8.465 -11.317 -0.793 509 HE2 TYR 65 HE2 TYR 65 -9.627 -8.799 2.443 510 HH TYR 65 HH TYR 65 -10.082 -11.208 2.187 511 H ILE 66 H ILE 66 -9.304 -3.887 -1.626 512 HA ILE 66 HA ILE 66 -8.793 -3.036 -4.396 513 HB ILE 66 HB ILE 66 -10.325 -1.459 -2.322 514 1HG1 ILE 66 1HG1 ILE 66 -11.183 -2.556 -5.007 515 2HG1 ILE 66 2HG1 ILE 66 -11.648 -3.210 -3.441 516 1HG2 ILE 66 1HG2 ILE 66 -8.872 0.010 -3.587 517 2HG2 ILE 66 2HG2 ILE 66 -10.548 0.254 -4.081 518 3HG2 ILE 66 3HG2 ILE 66 -9.454 -0.680 -5.102 519 1HD1 ILE 66 1HD1 ILE 66 -13.430 -1.871 -4.396 520 2HD1 ILE 66 2HD1 ILE 66 -12.352 -0.480 -4.501 521 3HD1 ILE 66 3HD1 ILE 66 -12.813 -1.122 -2.924 522 H GLY 67 H GLY 67 -6.912 -2.043 -4.654 523 1HA GLY 67 1HA GLY 67 -5.336 -1.424 -2.253 524 2HA GLY 67 2HA GLY 67 -4.700 -1.653 -3.877 525 H HIS 68 H HIS 68 -4.465 0.550 -1.840 526 HA HIS 68 HA HIS 68 -5.308 2.779 -3.581 527 1HB HIS 68 1HB HIS 68 -5.199 2.931 -0.561 528 2HB HIS 68 2HB HIS 68 -5.874 4.115 -1.671 529 HD1 HIS 68 HD1 HIS 68 -8.307 3.797 -2.390 530 HD2 HIS 68 HD2 HIS 68 -6.835 0.659 -0.088 531 HE1 HIS 68 HE1 HIS 68 -10.312 2.406 -1.771 532 HE2 HIS 68 HE2 HIS 68 -9.405 0.572 -0.289 533 H ALA 69 H ALA 69 -3.665 4.153 -4.110 534 HA ALA 69 HA ALA 69 -1.030 3.601 -3.007 535 1HB ALA 69 1HB ALA 69 -1.907 5.505 -5.167 536 2HB ALA 69 2HB ALA 69 -1.162 3.921 -5.388 537 3HB ALA 69 3HB ALA 69 -0.234 5.243 -4.676 538 H PHE 70 H PHE 70 -0.179 4.639 -1.369 539 HA PHE 70 HA PHE 70 -1.152 7.351 -0.759 540 1HB PHE 70 1HB PHE 70 -0.143 5.178 1.074 541 2HB PHE 70 2HB PHE 70 -0.347 6.850 1.585 542 HD1 PHE 70 HD1 PHE 70 -2.068 3.794 0.546 543 HD2 PHE 70 HD2 PHE 70 -2.509 7.786 1.934 544 HE1 PHE 70 HE1 PHE 70 -4.434 3.352 1.044 545 HE2 PHE 70 HE2 PHE 70 -4.876 7.354 2.434 546 HZ PHE 70 HZ PHE 70 -5.839 5.136 1.989 547 H LYS 71 H LYS 71 0.293 8.954 -0.483 548 HA LYS 71 HA LYS 71 3.060 8.441 -1.145 549 1HB LYS 71 1HB LYS 71 1.386 10.870 -0.764 550 2HB LYS 71 2HB LYS 71 3.112 11.030 -0.472 551 1HG LYS 71 1HG LYS 71 2.818 11.664 -2.692 552 2HG LYS 71 2HG LYS 71 3.431 10.016 -2.785 553 1HD LYS 71 1HD LYS 71 0.481 10.466 -2.777 554 2HD LYS 71 2HD LYS 71 1.392 10.780 -4.253 555 1HE LYS 71 1HE LYS 71 2.234 8.510 -4.252 556 2HE LYS 71 2HE LYS 71 1.433 8.187 -2.716 557 1HZ LYS 71 1HZ LYS 71 0.211 7.330 -4.653 558 2HZ LYS 71 2HZ LYS 71 0.021 8.913 -5.222 559 3HZ LYS 71 3HZ LYS 71 -0.692 8.450 -3.759 560 H LYS 72 H LYS 72 4.535 7.938 0.274 561 HA LYS 72 HA LYS 72 4.007 8.501 3.120 562 1HB LYS 72 1HB LYS 72 5.722 6.294 1.957 563 2HB LYS 72 2HB LYS 72 5.315 6.525 3.652 564 1HG LYS 72 1HG LYS 72 3.254 5.994 1.534 565 2HG LYS 72 2HG LYS 72 4.061 4.716 2.438 566 1HD LYS 72 1HD LYS 72 2.452 6.950 3.680 567 2HD LYS 72 2HD LYS 72 1.839 5.327 3.360 568 1HE LYS 72 1HE LYS 72 3.792 4.496 4.777 569 2HE LYS 72 2HE LYS 72 3.984 6.172 5.289 570 1HZ LYS 72 1HZ LYS 72 2.644 5.078 6.888 571 2HZ LYS 72 2HZ LYS 72 1.625 4.421 5.707 572 3HZ LYS 72 3HZ LYS 72 1.605 6.091 6.010 573 H ALA 73 H ALA 73 6.274 8.364 4.339 574 HA ALA 73 HA ALA 73 7.721 10.645 3.534 575 1HB ALA 73 1HB ALA 73 9.237 10.115 5.357 576 2HB ALA 73 2HB ALA 73 8.547 8.496 5.478 577 3HB ALA 73 3HB ALA 73 7.561 9.906 5.862 578 H GLY 74 H GLY 74 8.566 10.484 1.504 579 1HA GLY 74 1HA GLY 74 10.228 10.065 -0.028 580 2HA GLY 74 2HA GLY 74 11.114 9.254 1.251 581 H HIS 75 H HIS 75 7.990 7.996 0.755 582 HA HIS 75 HA HIS 75 8.914 5.970 -1.130 583 1HB HIS 75 1HB HIS 75 8.115 5.433 1.715 584 2HB HIS 75 2HB HIS 75 7.891 4.207 0.475 585 HD1 HIS 75 HD1 HIS 75 10.039 4.653 3.053 586 HD2 HIS 75 HD2 HIS 75 10.735 4.303 -1.033 587 HE1 HIS 75 HE1 HIS 75 12.410 3.839 2.833 588 HE2 HIS 75 HE2 HIS 75 12.866 3.802 0.354 589 H PHE 76 H PHE 76 7.079 4.381 -1.569 590 HA PHE 76 HA PHE 76 4.469 5.736 -1.459 591 1HB PHE 76 1HB PHE 76 5.646 4.191 -3.785 592 2HB PHE 76 2HB PHE 76 3.999 4.816 -3.716 593 HD1 PHE 76 HD1 PHE 76 7.327 5.467 -4.705 594 HD2 PHE 76 HD2 PHE 76 3.758 7.370 -3.386 595 HE1 PHE 76 HE1 PHE 76 8.106 7.591 -5.670 596 HE2 PHE 76 HE2 PHE 76 4.533 9.494 -4.349 597 HZ PHE 76 HZ PHE 76 6.708 9.608 -5.493 598 H ILE 77 H ILE 77 2.924 4.460 -0.543 599 HA ILE 77 HA ILE 77 3.416 1.560 -0.608 600 HB ILE 77 HB ILE 77 2.430 3.121 1.785 601 1HG1 ILE 77 1HG1 ILE 77 4.976 1.557 1.289 602 2HG1 ILE 77 2HG1 ILE 77 4.842 3.301 1.462 603 1HG2 ILE 77 1HG2 ILE 77 2.852 0.148 1.469 604 2HG2 ILE 77 2HG2 ILE 77 1.288 0.961 1.561 605 3HG2 ILE 77 3HG2 ILE 77 2.372 0.981 2.951 606 1HD1 ILE 77 1HD1 ILE 77 4.141 3.021 3.781 607 2HD1 ILE 77 2HD1 ILE 77 5.712 2.275 3.484 608 3HD1 ILE 77 3HD1 ILE 77 4.267 1.270 3.608 609 H VAL 78 H VAL 78 1.760 0.333 -1.149 610 HA VAL 78 HA VAL 78 -0.827 1.644 -1.634 611 HB VAL 78 HB VAL 78 0.256 -0.928 -2.805 612 1HG1 VAL 78 1HG1 VAL 78 -2.168 -0.954 -2.669 613 2HG1 VAL 78 2HG1 VAL 78 -1.655 -0.769 -4.347 614 3HG1 VAL 78 3HG1 VAL 78 -2.248 0.627 -3.446 615 1HG2 VAL 78 1HG2 VAL 78 1.480 1.003 -3.623 616 2HG2 VAL 78 2HG2 VAL 78 -0.033 1.810 -4.036 617 3HG2 VAL 78 3HG2 VAL 78 0.451 0.346 -4.895 618 H TYR 79 H TYR 79 -2.191 1.328 -0.005 619 HA TYR 79 HA TYR 79 -2.076 -1.131 1.546 620 1HB TYR 79 1HB TYR 79 -3.624 1.438 1.901 621 2HB TYR 79 2HB TYR 79 -3.793 0.047 2.957 622 HD1 TYR 79 HD1 TYR 79 -2.155 -0.434 4.639 623 HD2 TYR 79 HD2 TYR 79 -1.491 2.705 1.849 624 HE1 TYR 79 HE1 TYR 79 -0.295 0.393 6.016 625 HE2 TYR 79 HE2 TYR 79 0.377 3.531 3.212 626 HH TYR 79 HH TYR 79 1.621 1.732 5.918 627 H PHE 80 H PHE 80 -3.432 -2.763 1.270 628 HA PHE 80 HA PHE 80 -5.641 -2.463 -0.620 629 1HB PHE 80 1HB PHE 80 -4.143 -4.866 0.413 630 2HB PHE 80 2HB PHE 80 -5.598 -4.993 -0.561 631 HD1 PHE 80 HD1 PHE 80 -5.544 -4.684 -2.904 632 HD2 PHE 80 HD2 PHE 80 -2.094 -3.868 -0.555 633 HE1 PHE 80 HE1 PHE 80 -4.190 -4.535 -4.951 634 HE2 PHE 80 HE2 PHE 80 -0.735 -3.714 -2.600 635 HZ PHE 80 HZ PHE 80 -1.783 -4.049 -4.801 636 H THR 81 H THR 81 -7.643 -2.340 0.109 637 HA THR 81 HA THR 81 -8.213 -3.360 2.813 638 HB THR 81 HB THR 81 -10.089 -1.767 2.867 639 HG1 THR 81 HG1 THR 81 -10.732 -0.924 1.049 640 1HG2 THR 81 1HG2 THR 81 -7.954 -1.072 3.789 641 2HG2 THR 81 2HG2 THR 81 -8.774 0.298 3.039 642 3HG2 THR 81 3HG2 THR 81 -7.440 -0.498 2.203 643 HA PRO 82 HA PRO 82 -10.989 -6.344 1.105 644 1HB PRO 82 1HB PRO 82 -12.912 -6.498 3.007 645 2HB PRO 82 2HB PRO 82 -11.275 -7.124 3.244 646 1HG PRO 82 1HG PRO 82 -12.462 -4.530 4.155 647 2HG PRO 82 2HG PRO 82 -11.433 -5.666 5.049 648 1HD PRO 82 1HD PRO 82 -10.461 -3.411 3.922 649 2HD PRO 82 2HD PRO 82 -9.503 -4.899 4.054 650 H LYS 83 H LYS 83 -11.403 -4.041 -0.247 651 HA LYS 83 HA LYS 83 -12.878 -2.929 -1.565 652 1HB LYS 83 1HB LYS 83 -13.903 -5.600 -1.248 653 2HB LYS 83 2HB LYS 83 -15.229 -4.460 -1.444 654 1HG LYS 83 1HG LYS 83 -14.043 -3.573 -3.464 655 2HG LYS 83 2HG LYS 83 -12.917 -4.923 -3.302 656 1HD LYS 83 1HD LYS 83 -14.608 -6.509 -3.708 657 2HD LYS 83 2HD LYS 83 -15.889 -5.316 -3.478 658 1HE LYS 83 1HE LYS 83 -13.861 -5.289 -5.705 659 2HE LYS 83 2HE LYS 83 -15.519 -5.875 -5.850 660 1HZ LYS 83 1HZ LYS 83 -15.264 -3.602 -6.662 661 2HZ LYS 83 2HZ LYS 83 -14.746 -3.098 -5.131 662 3HZ LYS 83 3HZ LYS 83 -16.325 -3.666 -5.344 663 H ASN 84 H ASN 84 -12.983 -2.508 1.417 664 HA ASN 84 HA ASN 84 -15.752 -1.798 1.856 665 1HB ASN 84 1HB ASN 84 -14.977 -1.149 4.132 666 2HB ASN 84 2HB ASN 84 -14.627 -2.819 3.716 667 1HD2 ASN 84 1HD2 ASN 84 -13.382 -1.378 5.767 668 2HD2 ASN 84 2HD2 ASN 84 -11.702 -1.225 5.370 669 H LYS 85 H LYS 85 -16.514 -0.016 1.101 670 HA LYS 85 HA LYS 85 -14.774 2.292 0.613 671 1HB LYS 85 1HB LYS 85 -16.737 3.158 -0.654 672 2HB LYS 85 2HB LYS 85 -16.171 1.599 -1.243 673 1HG LYS 85 1HG LYS 85 -17.974 0.473 -0.082 674 2HG LYS 85 2HG LYS 85 -18.514 2.003 0.607 675 1HD LYS 85 1HD LYS 85 -19.932 1.422 -1.251 676 2HD LYS 85 2HD LYS 85 -18.966 2.833 -1.676 677 1HE LYS 85 1HE LYS 85 -18.132 0.047 -2.434 678 2HE LYS 85 2HE LYS 85 -19.235 0.990 -3.433 679 1HZ LYS 85 1HZ LYS 85 -17.483 2.750 -3.463 680 2HZ LYS 85 2HZ LYS 85 -17.062 1.323 -4.277 681 3HZ LYS 85 3HZ LYS 85 -16.429 1.643 -2.741 682 H ASN 86 H ASN 86 -15.537 1.541 3.300 683 HA ASN 86 HA ASN 86 -16.222 2.459 5.260 684 1HB ASN 86 1HB ASN 86 -15.436 4.640 4.321 685 2HB ASN 86 2HB ASN 86 -17.041 4.894 3.647 686 1HD2 ASN 86 1HD2 ASN 86 -15.107 4.870 6.512 687 2HD2 ASN 86 2HD2 ASN 86 -16.272 5.595 7.560 688 H ARG 87 H ARG 87 -18.246 2.940 6.431 689 HA ARG 87 HA ARG 87 -20.288 1.253 5.637 690 1HB ARG 87 1HB ARG 87 -19.914 3.268 7.744 691 2HB ARG 87 2HB ARG 87 -21.588 2.927 7.339 692 1HG ARG 87 1HG ARG 87 -20.549 1.581 9.223 693 2HG ARG 87 2HG ARG 87 -21.414 0.684 7.977 694 1HD ARG 87 1HD ARG 87 -18.442 1.083 7.822 695 2HD ARG 87 2HD ARG 87 -19.136 -0.209 8.800 696 HE ARG 87 HE ARG 87 -20.302 -0.410 6.296 697 1HH1 ARG 87 1HH1 ARG 87 -17.076 -0.652 7.661 698 2HH1 ARG 87 2HH1 ARG 87 -16.507 -1.754 6.444 699 1HH2 ARG 87 1HH2 ARG 87 -19.554 -1.846 4.694 700 2HH2 ARG 87 2HH2 ARG 87 -17.921 -2.437 4.744 701 H GLU 88 H GLU 88 -20.615 4.834 5.754 702 HA GLU 88 HA GLU 88 -21.819 4.959 3.193 703 1HB GLU 88 1HB GLU 88 -24.121 5.485 3.844 704 2HB GLU 88 2HB GLU 88 -23.681 3.852 4.321 705 1HG GLU 88 1HG GLU 88 -23.373 4.564 6.608 706 2HG GLU 88 2HG GLU 88 -23.695 6.238 6.156 707 H GLY 89 H GLY 89 -22.022 7.025 2.458 708 1HA GLY 89 1HA GLY 89 -22.149 9.318 2.447 709 2HA GLY 89 2HA GLY 89 -22.552 9.246 4.154 710 H VAL 90 H VAL 90 -19.633 8.245 2.392 711 HA VAL 90 HA VAL 90 -18.109 9.961 4.222 712 HB VAL 90 HB VAL 90 -17.504 7.631 4.448 713 1HG1 VAL 90 1HG1 VAL 90 -16.515 6.356 2.598 714 2HG1 VAL 90 2HG1 VAL 90 -16.886 7.684 1.498 715 3HG1 VAL 90 3HG1 VAL 90 -18.194 6.796 2.279 716 1HG2 VAL 90 1HG2 VAL 90 -15.365 9.164 2.975 717 2HG2 VAL 90 2HG2 VAL 90 -15.098 7.770 4.022 718 3HG2 VAL 90 3HG2 VAL 90 -15.723 9.273 4.697 719 H VAL 91 H VAL 91 -17.483 11.809 3.379 720 HA VAL 91 HA VAL 91 -16.478 11.807 0.607 721 HB VAL 91 HB VAL 91 -17.684 14.142 2.091 722 1HG1 VAL 91 1HG1 VAL 91 -16.748 13.918 -0.763 723 2HG1 VAL 91 2HG1 VAL 91 -15.932 14.802 0.525 724 3HG1 VAL 91 3HG1 VAL 91 -17.521 15.325 -0.034 725 1HG2 VAL 91 1HG2 VAL 91 -19.544 13.978 0.516 726 2HG2 VAL 91 2HG2 VAL 91 -19.383 12.496 1.461 727 3HG2 VAL 91 3HG2 VAL 91 -18.811 12.545 -0.207 728 HA PRO 92 HA PRO 92 -12.839 12.408 3.219 729 1HB PRO 92 1HB PRO 92 -11.066 11.920 1.182 730 2HB PRO 92 2HB PRO 92 -11.807 10.664 2.179 731 1HG PRO 92 1HG PRO 92 -12.532 11.582 -0.564 732 2HG PRO 92 2HG PRO 92 -12.534 9.944 0.112 733 1HD PRO 92 1HD PRO 92 -14.793 11.402 -0.220 734 2HD PRO 92 2HD PRO 92 -14.604 10.215 1.081 735 HA PRO 93 HA PRO 93 -12.023 16.606 1.956 736 1HB PRO 93 1HB PRO 93 -10.031 16.700 4.065 737 2HB PRO 93 2HB PRO 93 -11.605 17.498 3.996 738 1HG PRO 93 1HG PRO 93 -11.023 15.473 5.724 739 2HG PRO 93 2HG PRO 93 -12.655 15.803 5.117 740 1HD PRO 93 1HD PRO 93 -10.684 13.732 4.229 741 2HD PRO 93 2HD PRO 93 -12.443 13.596 4.443 742 H VAL 94 H VAL 94 -10.589 17.491 0.583 743 HA VAL 94 HA VAL 94 -8.421 15.996 -0.426 744 HB VAL 94 HB VAL 94 -7.848 18.053 -1.683 745 1HG1 VAL 94 1HG1 VAL 94 -10.762 17.290 -1.696 746 2HG1 VAL 94 2HG1 VAL 94 -9.467 16.497 -2.592 747 3HG1 VAL 94 3HG1 VAL 94 -9.931 18.150 -2.991 748 1HG2 VAL 94 1HG2 VAL 94 -8.453 19.716 -0.007 749 2HG2 VAL 94 2HG2 VAL 94 -10.151 19.270 -0.168 750 3HG2 VAL 94 3HG2 VAL 94 -9.305 20.016 -1.523 751 H GLY 95 H GLY 95 -6.256 16.107 -0.073 752 1HA GLY 95 1HA GLY 95 -5.011 18.187 1.429 753 2HA GLY 95 2HA GLY 95 -5.266 16.753 2.414 754 H ILE 96 H ILE 96 -2.974 18.275 0.813 755 HA ILE 96 HA ILE 96 -1.731 15.816 -0.212 756 HB ILE 96 HB ILE 96 -0.024 17.381 -1.223 757 1HG1 ILE 96 1HG1 ILE 96 -2.105 19.449 -0.461 758 2HG1 ILE 96 2HG1 ILE 96 -0.455 19.359 0.151 759 1HG2 ILE 96 1HG2 ILE 96 -1.832 16.322 -2.500 760 2HG2 ILE 96 2HG2 ILE 96 -1.425 17.916 -3.131 761 3HG2 ILE 96 3HG2 ILE 96 -2.876 17.701 -2.151 762 1HD1 ILE 96 1HD1 ILE 96 0.406 19.828 -2.071 763 2HD1 ILE 96 2HD1 ILE 96 -0.703 21.091 -1.540 764 3HD1 ILE 96 3HD1 ILE 96 -1.238 19.883 -2.707 765 H THR 97 H THR 97 -1.278 18.544 1.953 766 HA THR 97 HA THR 97 -0.212 17.147 4.037 767 HB THR 97 HB THR 97 1.731 16.665 2.534 768 HG1 THR 97 HG1 THR 97 2.648 18.305 4.647 769 1HG2 THR 97 1HG2 THR 97 2.259 19.630 2.768 770 2HG2 THR 97 2HG2 THR 97 1.852 18.756 1.292 771 3HG2 THR 97 3HG2 THR 97 3.380 18.436 2.113 772 H ASN 98 H ASN 98 0.198 20.136 2.198 773 HA ASN 98 HA ASN 98 -1.304 21.805 3.740 774 1HB ASN 98 1HB ASN 98 0.354 21.385 5.576 775 2HB ASN 98 2HB ASN 98 1.603 22.090 4.557 776 1HD2 ASN 98 1HD2 ASN 98 1.594 24.304 4.173 777 2HD2 ASN 98 2HD2 ASN 98 0.666 25.403 5.138 Start of MODEL 7 1 H MET 1 H MET 1 -17.900 5.012 -5.095 2 HA MET 1 HA MET 1 -17.996 6.693 -7.531 3 1HB MET 1 1HB MET 1 -18.218 8.585 -5.975 4 2HB MET 1 2HB MET 1 -19.574 7.476 -5.836 5 1HG MET 1 1HG MET 1 -18.463 6.477 -3.843 6 2HG MET 1 2HG MET 1 -17.244 7.745 -3.954 7 1HE MET 1 1HE MET 1 -17.764 10.339 -3.593 8 2HE MET 1 2HE MET 1 -19.388 10.972 -3.323 9 3HE MET 1 3HE MET 1 -18.973 10.243 -4.874 10 H LYS 2 H LYS 2 -16.317 8.565 -7.137 11 HA LYS 2 HA LYS 2 -13.766 7.275 -6.934 12 1HB LYS 2 1HB LYS 2 -14.457 10.207 -7.208 13 2HB LYS 2 2HB LYS 2 -12.844 9.529 -7.373 14 1HG LYS 2 1HG LYS 2 -15.203 8.898 -9.136 15 2HG LYS 2 2HG LYS 2 -13.867 9.977 -9.540 16 1HD LYS 2 1HD LYS 2 -13.578 7.047 -8.900 17 2HD LYS 2 2HD LYS 2 -13.635 7.720 -10.530 18 1HE LYS 2 1HE LYS 2 -11.628 9.026 -10.067 19 2HE LYS 2 2HE LYS 2 -11.585 8.392 -8.423 20 1HZ LYS 2 1HZ LYS 2 -11.203 6.200 -9.268 21 2HZ LYS 2 2HZ LYS 2 -10.059 7.244 -9.959 22 3HZ LYS 2 3HZ LYS 2 -11.389 6.723 -10.869 23 H SER 3 H SER 3 -13.098 6.653 -4.980 24 HA SER 3 HA SER 3 -13.422 8.546 -2.759 25 1HB SER 3 1HB SER 3 -13.354 5.523 -2.654 26 2HB SER 3 2HB SER 3 -13.507 6.593 -1.261 27 HG SER 3 HG SER 3 -15.429 7.445 -2.426 28 H SER 4 H SER 4 -11.470 9.575 -2.843 29 HA SER 4 HA SER 4 -9.038 7.991 -2.533 30 1HB SER 4 1HB SER 4 -9.362 11.005 -2.480 31 2HB SER 4 2HB SER 4 -7.862 10.098 -2.684 32 HG SER 4 HG SER 4 -9.322 9.198 -4.583 33 H ILE 5 H ILE 5 -8.801 7.173 -0.527 34 HA ILE 5 HA ILE 5 -10.185 8.547 1.667 35 HB ILE 5 HB ILE 5 -9.214 5.688 1.627 36 1HG1 ILE 5 1HG1 ILE 5 -11.975 6.745 0.967 37 2HG1 ILE 5 2HG1 ILE 5 -10.833 6.096 -0.204 38 1HG2 ILE 5 1HG2 ILE 5 -10.874 5.390 3.424 39 2HG2 ILE 5 2HG2 ILE 5 -11.218 7.120 3.369 40 3HG2 ILE 5 3HG2 ILE 5 -9.619 6.554 3.854 41 1HD1 ILE 5 1HD1 ILE 5 -10.946 3.920 0.890 42 2HD1 ILE 5 2HD1 ILE 5 -12.538 4.468 0.368 43 3HD1 ILE 5 3HD1 ILE 5 -12.085 4.571 2.069 44 HA PRO 6 HA PRO 6 -6.377 9.766 3.639 45 1HB PRO 6 1HB PRO 6 -7.412 9.558 6.234 46 2HB PRO 6 2HB PRO 6 -7.432 10.999 5.224 47 1HG PRO 6 1HG PRO 6 -9.577 9.018 5.742 48 2HG PRO 6 2HG PRO 6 -9.701 10.758 5.429 49 1HD PRO 6 1HD PRO 6 -10.337 8.916 3.573 50 2HD PRO 6 2HD PRO 6 -9.608 10.474 3.136 51 H ILE 7 H ILE 7 -4.698 8.861 4.851 52 HA ILE 7 HA ILE 7 -4.600 6.025 4.833 53 HB ILE 7 HB ILE 7 -2.592 7.388 4.459 54 1HG1 ILE 7 1HG1 ILE 7 -1.044 6.086 5.891 55 2HG1 ILE 7 2HG1 ILE 7 -2.415 5.577 6.878 56 1HG2 ILE 7 1HG2 ILE 7 -3.012 9.190 6.018 57 2HG2 ILE 7 2HG2 ILE 7 -1.442 8.457 6.343 58 3HG2 ILE 7 3HG2 ILE 7 -2.819 8.088 7.381 59 1HD1 ILE 7 1HD1 ILE 7 -3.372 4.442 4.943 60 2HD1 ILE 7 2HD1 ILE 7 -1.754 3.846 5.317 61 3HD1 ILE 7 3HD1 ILE 7 -1.994 4.954 3.965 62 H THR 8 H THR 8 -5.253 8.414 7.308 63 HA THR 8 HA THR 8 -5.061 6.881 9.602 64 HB THR 8 HB THR 8 -6.685 9.235 8.760 65 HG1 THR 8 HG1 THR 8 -5.332 9.369 11.124 66 1HG2 THR 8 1HG2 THR 8 -7.703 9.425 10.972 67 2HG2 THR 8 2HG2 THR 8 -7.075 7.833 11.398 68 3HG2 THR 8 3HG2 THR 8 -8.269 7.995 10.109 69 H GLU 9 H GLU 9 -7.488 6.866 7.097 70 HA GLU 9 HA GLU 9 -9.247 5.130 8.624 71 1HB GLU 9 1HB GLU 9 -9.492 6.133 5.780 72 2HB GLU 9 2HB GLU 9 -10.738 5.289 6.687 73 1HG GLU 9 1HG GLU 9 -9.592 7.982 7.385 74 2HG GLU 9 2HG GLU 9 -11.135 7.697 6.581 75 H VAL 10 H VAL 10 -7.281 5.030 5.669 76 HA VAL 10 HA VAL 10 -8.111 2.409 4.954 77 HB VAL 10 HB VAL 10 -5.773 4.045 3.973 78 1HG1 VAL 10 1HG1 VAL 10 -5.378 1.663 3.577 79 2HG1 VAL 10 2HG1 VAL 10 -5.700 2.516 2.069 80 3HG1 VAL 10 3HG1 VAL 10 -6.959 1.528 2.807 81 1HG2 VAL 10 1HG2 VAL 10 -7.916 5.067 3.509 82 2HG2 VAL 10 2HG2 VAL 10 -8.520 3.552 2.837 83 3HG2 VAL 10 3HG2 VAL 10 -7.223 4.426 2.020 84 H LEU 11 H LEU 11 -5.347 3.646 6.754 85 HA LEU 11 HA LEU 11 -3.664 1.459 6.658 86 1HB LEU 11 1HB LEU 11 -2.766 3.372 7.602 87 2HB LEU 11 2HB LEU 11 -4.132 3.614 8.672 88 HG LEU 11 HG LEU 11 -3.382 1.692 10.026 89 1HD1 LEU 11 1HD1 LEU 11 -0.979 1.746 8.212 90 2HD1 LEU 11 2HD1 LEU 11 -2.180 0.458 8.323 91 3HD1 LEU 11 3HD1 LEU 11 -1.130 0.804 9.697 92 1HD2 LEU 11 1HD2 LEU 11 -1.477 2.833 11.050 93 2HD2 LEU 11 2HD2 LEU 11 -2.768 3.964 10.643 94 3HD2 LEU 11 3HD2 LEU 11 -1.330 3.865 9.628 95 HA PRO 12 HA PRO 12 -5.721 -0.597 10.495 96 1HB PRO 12 1HB PRO 12 -8.098 0.380 11.381 97 2HB PRO 12 2HB PRO 12 -6.534 0.918 12.010 98 1HG PRO 12 1HG PRO 12 -8.292 2.205 9.951 99 2HG PRO 12 2HG PRO 12 -7.424 2.951 11.308 100 1HD PRO 12 1HD PRO 12 -6.476 3.045 8.792 101 2HD PRO 12 2HD PRO 12 -5.402 2.927 10.196 102 H ARG 13 H ARG 13 -7.851 0.768 8.035 103 HA ARG 13 HA ARG 13 -9.627 -1.516 8.089 104 1HB ARG 13 1HB ARG 13 -9.504 1.019 6.473 105 2HB ARG 13 2HB ARG 13 -10.642 -0.266 6.095 106 1HG ARG 13 1HG ARG 13 -11.833 0.028 8.061 107 2HG ARG 13 2HG ARG 13 -10.486 0.841 8.863 108 1HD ARG 13 1HD ARG 13 -12.350 2.359 8.263 109 2HD ARG 13 2HD ARG 13 -10.807 2.812 7.548 110 HE ARG 13 HE ARG 13 -12.167 1.256 5.673 111 1HH1 ARG 13 1HH1 ARG 13 -12.584 4.302 7.346 112 2HH1 ARG 13 2HH1 ARG 13 -13.385 5.087 6.016 113 1HH2 ARG 13 1HH2 ARG 13 -13.268 2.257 3.916 114 2HH2 ARG 13 2HH2 ARG 13 -13.775 3.910 4.064 115 H ALA 14 H ALA 14 -6.635 -1.407 7.076 116 HA ALA 14 HA ALA 14 -7.094 -2.649 4.458 117 1HB ALA 14 1HB ALA 14 -4.731 -2.334 4.038 118 2HB ALA 14 2HB ALA 14 -4.486 -1.753 5.685 119 3HB ALA 14 3HB ALA 14 -5.455 -0.810 4.553 120 H VAL 15 H VAL 15 -6.121 -4.630 3.933 121 HA VAL 15 HA VAL 15 -5.406 -6.310 6.254 122 HB VAL 15 HB VAL 15 -6.293 -8.244 4.919 123 1HG1 VAL 15 1HG1 VAL 15 -8.652 -7.782 5.417 124 2HG1 VAL 15 2HG1 VAL 15 -8.264 -6.075 5.633 125 3HG1 VAL 15 3HG1 VAL 15 -7.592 -7.278 6.733 126 1HG2 VAL 15 1HG2 VAL 15 -7.397 -6.032 3.189 127 2HG2 VAL 15 2HG2 VAL 15 -7.892 -7.724 3.107 128 3HG2 VAL 15 3HG2 VAL 15 -6.235 -7.269 2.707 129 H GLY 16 H GLY 16 -4.151 -4.809 3.658 130 1HA GLY 16 1HA GLY 16 -1.786 -6.433 3.700 131 2HA GLY 16 2HA GLY 16 -2.658 -6.548 2.176 132 H SER 17 H SER 17 -0.077 -5.533 2.274 133 HA SER 17 HA SER 17 -0.576 -2.911 1.177 134 1HB SER 17 1HB SER 17 1.230 -1.848 2.565 135 2HB SER 17 2HB SER 17 -0.228 -2.260 3.465 136 HG SER 17 HG SER 17 2.284 -3.586 3.448 137 H LEU 18 H LEU 18 0.905 -2.285 -0.305 138 HA LEU 18 HA LEU 18 3.250 -4.020 -0.689 139 1HB LEU 18 1HB LEU 18 1.358 -2.782 -2.619 140 2HB LEU 18 2HB LEU 18 3.044 -2.888 -3.074 141 HG LEU 18 HG LEU 18 1.380 -5.253 -2.240 142 1HD1 LEU 18 1HD1 LEU 18 2.160 -4.323 -5.001 143 2HD1 LEU 18 2HD1 LEU 18 0.533 -4.301 -4.322 144 3HD1 LEU 18 3HD1 LEU 18 1.345 -5.839 -4.613 145 1HD2 LEU 18 1HD2 LEU 18 4.096 -5.036 -3.528 146 2HD2 LEU 18 2HD2 LEU 18 3.232 -6.537 -3.188 147 3HD2 LEU 18 3HD2 LEU 18 3.773 -5.512 -1.860 148 H THR 19 H THR 19 5.064 -3.027 -0.171 149 HA THR 19 HA THR 19 5.101 -0.113 -0.022 150 HB THR 19 HB THR 19 7.193 -2.086 0.906 151 HG1 THR 19 HG1 THR 19 6.193 -1.544 3.016 152 1HG2 THR 19 1HG2 THR 19 8.051 0.182 0.581 153 2HG2 THR 19 2HG2 THR 19 7.981 -0.224 2.297 154 3HG2 THR 19 3HG2 THR 19 6.752 0.826 1.589 155 H PHE 20 H PHE 20 5.605 0.844 -1.873 156 HA PHE 20 HA PHE 20 7.726 -0.278 -3.568 157 1HB PHE 20 1HB PHE 20 5.569 1.779 -4.064 158 2HB PHE 20 2HB PHE 20 6.918 1.564 -5.167 159 HD1 PHE 20 HD1 PHE 20 6.610 0.227 -6.969 160 HD2 PHE 20 HD2 PHE 20 4.284 -0.469 -3.480 161 HE1 PHE 20 HE1 PHE 20 5.360 -1.527 -8.160 162 HE2 PHE 20 HE2 PHE 20 3.025 -2.219 -4.668 163 HZ PHE 20 HZ PHE 20 3.563 -2.744 -7.001 164 H ASP 21 H ASP 21 9.330 1.178 -4.415 165 HA ASP 21 HA ASP 21 10.122 3.231 -2.500 166 1HB ASP 21 1HB ASP 21 11.802 1.574 -3.250 167 2HB ASP 21 2HB ASP 21 11.589 2.119 -4.909 168 H GLU 22 H GLU 22 11.125 5.276 -3.554 169 HA GLU 22 HA GLU 22 9.140 6.553 -5.112 170 1HB GLU 22 1HB GLU 22 10.760 8.427 -5.199 171 2HB GLU 22 2HB GLU 22 10.449 7.846 -3.573 172 1HG GLU 22 1HG GLU 22 12.547 6.617 -3.602 173 2HG GLU 22 2HG GLU 22 12.856 7.165 -5.251 174 H ASN 23 H ASN 23 11.896 4.639 -5.927 175 HA ASN 23 HA ASN 23 11.906 5.500 -8.696 176 1HB ASN 23 1HB ASN 23 13.311 3.255 -7.239 177 2HB ASN 23 2HB ASN 23 13.404 3.460 -8.975 178 1HD2 ASN 23 1HD2 ASN 23 13.295 6.180 -6.792 179 2HD2 ASN 23 2HD2 ASN 23 14.929 6.685 -7.043 180 H TYR 24 H TYR 24 9.694 4.031 -6.984 181 HA TYR 24 HA TYR 24 7.841 2.846 -7.445 182 1HB TYR 24 1HB TYR 24 8.762 3.047 -10.317 183 2HB TYR 24 2HB TYR 24 7.144 2.598 -9.781 184 HD1 TYR 24 HD1 TYR 24 9.310 5.291 -10.655 185 HD2 TYR 24 HD2 TYR 24 5.850 4.319 -8.379 186 HE1 TYR 24 HE1 TYR 24 8.691 7.669 -10.594 187 HE2 TYR 24 HE2 TYR 24 5.220 6.694 -8.313 188 HH TYR 24 HH TYR 24 6.459 8.933 -8.493 189 H ASN 25 H ASN 25 10.398 1.463 -6.916 190 HA ASN 25 HA ASN 25 9.838 -1.099 -8.226 191 1HB ASN 25 1HB ASN 25 12.188 -0.337 -6.472 192 2HB ASN 25 2HB ASN 25 11.980 -1.873 -7.306 193 1HD2 ASN 25 1HD2 ASN 25 13.128 1.298 -7.507 194 2HD2 ASN 25 2HD2 ASN 25 13.553 1.302 -9.190 195 H LEU 26 H LEU 26 9.180 -2.873 -7.108 196 HA LEU 26 HA LEU 26 7.764 -2.416 -4.674 197 1HB LEU 26 1HB LEU 26 7.278 -4.044 -6.635 198 2HB LEU 26 2HB LEU 26 8.402 -5.118 -5.829 199 HG LEU 26 HG LEU 26 5.898 -4.032 -4.537 200 1HD1 LEU 26 1HD1 LEU 26 5.317 -5.409 -6.447 201 2HD1 LEU 26 2HD1 LEU 26 4.960 -6.262 -4.944 202 3HD1 LEU 26 3HD1 LEU 26 6.394 -6.684 -5.878 203 1HD2 LEU 26 1HD2 LEU 26 7.758 -6.276 -3.757 204 2HD2 LEU 26 2HD2 LEU 26 6.260 -5.846 -2.933 205 3HD2 LEU 26 3HD2 LEU 26 7.614 -4.717 -2.946 206 H LEU 27 H LEU 27 8.621 -2.396 -2.703 207 HA LEU 27 HA LEU 27 11.244 -3.622 -2.264 208 1HB LEU 27 1HB LEU 27 9.667 -1.775 -0.474 209 2HB LEU 27 2HB LEU 27 11.330 -2.273 -0.242 210 HG LEU 27 HG LEU 27 10.327 -0.581 -2.530 211 1HD1 LEU 27 1HD1 LEU 27 10.205 0.618 -0.436 212 2HD1 LEU 27 2HD1 LEU 27 11.550 1.228 -1.397 213 3HD1 LEU 27 3HD1 LEU 27 11.857 0.149 -0.038 214 1HD2 LEU 27 1HD2 LEU 27 12.712 -0.229 -2.992 215 2HD2 LEU 27 2HD2 LEU 27 12.256 -1.924 -3.149 216 3HD2 LEU 27 3HD2 LEU 27 13.120 -1.373 -1.714 217 H ASP 28 H ASP 28 8.064 -3.418 -0.676 218 HA ASP 28 HA ASP 28 8.637 -5.988 0.636 219 1HB ASP 28 1HB ASP 28 9.071 -4.318 2.311 220 2HB ASP 28 2HB ASP 28 7.572 -3.477 1.936 221 H THR 29 H THR 29 6.946 -7.367 0.849 222 HA THR 29 HA THR 29 4.301 -6.430 -0.058 223 HB THR 29 HB THR 29 5.367 -9.231 -0.421 224 HG1 THR 29 HG1 THR 29 6.172 -7.081 -1.710 225 1HG2 THR 29 1HG2 THR 29 3.064 -7.744 -1.691 226 2HG2 THR 29 2HG2 THR 29 2.933 -9.003 -0.462 227 3HG2 THR 29 3HG2 THR 29 3.550 -9.395 -2.068 228 H SER 30 H SER 30 2.885 -6.497 1.612 229 HA SER 30 HA SER 30 3.178 -8.675 3.561 230 1HB SER 30 1HB SER 30 2.750 -5.749 4.209 231 2HB SER 30 2HB SER 30 2.671 -7.063 5.385 232 HG SER 30 HG SER 30 4.882 -5.922 4.117 233 H GLY 31 H GLY 31 1.286 -9.347 4.601 234 1HA GLY 31 1HA GLY 31 -0.979 -9.587 4.958 235 2HA GLY 31 2HA GLY 31 -1.232 -8.059 4.127 236 H VAL 32 H VAL 32 -3.006 -8.852 3.000 237 HA VAL 32 HA VAL 32 -3.016 -11.227 1.475 238 HB VAL 32 HB VAL 32 -4.686 -8.752 0.996 239 1HG1 VAL 32 1HG1 VAL 32 -6.324 -10.319 0.084 240 2HG1 VAL 32 2HG1 VAL 32 -5.202 -11.654 0.358 241 3HG1 VAL 32 3HG1 VAL 32 -4.802 -10.392 -0.806 242 1HG2 VAL 32 1HG2 VAL 32 -5.222 -11.085 2.829 243 2HG2 VAL 32 2HG2 VAL 32 -6.331 -9.755 2.493 244 3HG2 VAL 32 3HG2 VAL 32 -4.811 -9.446 3.334 245 H ALA 33 H ALA 33 -1.545 -8.204 0.915 246 HA ALA 33 HA ALA 33 -1.646 -8.023 -1.886 247 1HB ALA 33 1HB ALA 33 -0.942 -6.174 -0.465 248 2HB ALA 33 2HB ALA 33 0.285 -6.543 -1.677 249 3HB ALA 33 3HB ALA 33 0.509 -7.066 -0.009 250 H LYS 34 H LYS 34 -0.060 -10.279 0.092 251 HA LYS 34 HA LYS 34 2.152 -10.850 -1.621 252 1HB LYS 34 1HB LYS 34 0.866 -12.500 0.561 253 2HB LYS 34 2HB LYS 34 2.398 -12.867 -0.216 254 1HG LYS 34 1HG LYS 34 3.324 -10.763 0.625 255 2HG LYS 34 2HG LYS 34 1.789 -10.420 1.423 256 1HD LYS 34 1HD LYS 34 3.600 -12.767 1.984 257 2HD LYS 34 2HD LYS 34 3.411 -11.336 2.997 258 1HE LYS 34 1HE LYS 34 1.025 -11.902 3.293 259 2HE LYS 34 2HE LYS 34 1.277 -13.370 2.345 260 1HZ LYS 34 1HZ LYS 34 2.517 -12.697 4.958 261 2HZ LYS 34 2HZ LYS 34 2.946 -14.042 4.021 262 3HZ LYS 34 3HZ LYS 34 1.378 -13.916 4.654 263 H VAL 35 H VAL 35 -1.163 -11.971 -1.379 264 HA VAL 35 HA VAL 35 -0.649 -14.043 -3.381 265 HB VAL 35 HB VAL 35 -2.882 -14.860 -2.970 266 1HG1 VAL 35 1HG1 VAL 35 -1.475 -14.213 -0.383 267 2HG1 VAL 35 2HG1 VAL 35 -1.150 -15.593 -1.434 268 3HG1 VAL 35 3HG1 VAL 35 -2.701 -15.463 -0.602 269 1HG2 VAL 35 1HG2 VAL 35 -3.233 -12.500 -1.122 270 2HG2 VAL 35 2HG2 VAL 35 -4.380 -13.824 -1.337 271 3HG2 VAL 35 3HG2 VAL 35 -4.035 -12.729 -2.676 272 H ILE 36 H ILE 36 -1.997 -10.891 -3.042 273 HA ILE 36 HA ILE 36 -3.537 -10.894 -5.441 274 HB ILE 36 HB ILE 36 -2.391 -8.608 -3.828 275 1HG1 ILE 36 1HG1 ILE 36 -5.213 -9.688 -3.968 276 2HG1 ILE 36 2HG1 ILE 36 -4.064 -10.079 -2.694 277 1HG2 ILE 36 1HG2 ILE 36 -4.443 -8.536 -6.039 278 2HG2 ILE 36 2HG2 ILE 36 -2.797 -7.908 -6.129 279 3HG2 ILE 36 3HG2 ILE 36 -3.964 -7.171 -5.030 280 1HD1 ILE 36 1HD1 ILE 36 -5.105 -7.328 -3.329 281 2HD1 ILE 36 2HD1 ILE 36 -3.984 -7.745 -2.033 282 3HD1 ILE 36 3HD1 ILE 36 -5.638 -8.357 -2.000 283 H GLU 37 H GLU 37 -2.951 -10.372 -7.488 284 HA GLU 37 HA GLU 37 -0.201 -10.533 -8.176 285 1HB GLU 37 1HB GLU 37 -1.046 -10.069 -10.507 286 2HB GLU 37 2HB GLU 37 -1.719 -11.483 -9.714 287 1HG GLU 37 1HG GLU 37 -3.716 -10.120 -9.130 288 2HG GLU 37 2HG GLU 37 -3.043 -8.812 -10.106 289 H LYS 38 H LYS 38 0.997 -8.953 -9.403 290 HA LYS 38 HA LYS 38 0.895 -6.523 -7.874 291 1HB LYS 38 1HB LYS 38 2.893 -7.823 -9.659 292 2HB LYS 38 2HB LYS 38 3.052 -6.102 -9.332 293 1HG LYS 38 1HG LYS 38 4.371 -7.575 -7.814 294 2HG LYS 38 2HG LYS 38 3.262 -6.482 -6.989 295 1HD LYS 38 1HD LYS 38 1.636 -8.351 -6.805 296 2HD LYS 38 2HD LYS 38 2.838 -9.423 -7.524 297 1HE LYS 38 1HE LYS 38 4.342 -9.035 -5.670 298 2HE LYS 38 2HE LYS 38 3.227 -7.861 -4.972 299 1HZ LYS 38 1HZ LYS 38 1.652 -9.569 -4.536 300 2HZ LYS 38 2HZ LYS 38 3.148 -10.108 -3.953 301 3HZ LYS 38 3HZ LYS 38 2.541 -10.718 -5.411 302 H SER 39 H SER 39 0.692 -7.302 -11.351 303 HA SER 39 HA SER 39 -0.302 -6.165 -13.061 304 1HB SER 39 1HB SER 39 -1.664 -4.728 -10.764 305 2HB SER 39 2HB SER 39 -2.181 -4.658 -12.449 306 HG SER 39 HG SER 39 -1.857 -7.220 -11.639 307 HA PRO 40 HA PRO 40 1.735 -2.197 -13.739 308 1HB PRO 40 1HB PRO 40 -0.075 -0.582 -14.925 309 2HB PRO 40 2HB PRO 40 0.629 -1.979 -15.749 310 1HG PRO 40 1HG PRO 40 -2.026 -1.729 -14.384 311 2HG PRO 40 2HG PRO 40 -1.636 -2.471 -15.947 312 1HD PRO 40 1HD PRO 40 -1.988 -3.920 -13.685 313 2HD PRO 40 2HD PRO 40 -0.877 -4.414 -14.978 314 H ILE 41 H ILE 41 0.750 -2.448 -11.077 315 HA ILE 41 HA ILE 41 -0.739 -0.212 -10.220 316 HB ILE 41 HB ILE 41 1.182 -2.005 -8.744 317 1HG1 ILE 41 1HG1 ILE 41 -1.821 -1.687 -8.694 318 2HG1 ILE 41 2HG1 ILE 41 -0.928 -3.017 -9.420 319 1HG2 ILE 41 1HG2 ILE 41 1.279 0.154 -7.649 320 2HG2 ILE 41 2HG2 ILE 41 0.375 -0.990 -6.656 321 3HG2 ILE 41 3HG2 ILE 41 -0.482 0.231 -7.596 322 1HD1 ILE 41 1HD1 ILE 41 -1.072 -2.342 -6.491 323 2HD1 ILE 41 2HD1 ILE 41 -0.086 -3.629 -7.185 324 3HD1 ILE 41 3HD1 ILE 41 -1.847 -3.703 -7.303 325 H ALA 42 H ALA 42 2.702 -0.671 -10.763 326 HA ALA 42 HA ALA 42 3.680 1.579 -9.421 327 1HB ALA 42 1HB ALA 42 5.660 1.365 -10.799 328 2HB ALA 42 2HB ALA 42 4.785 0.345 -11.939 329 3HB ALA 42 3HB ALA 42 5.097 -0.232 -10.302 330 H GLU 43 H GLU 43 2.480 1.198 -12.714 331 HA GLU 43 HA GLU 43 2.942 3.814 -13.633 332 1HB GLU 43 1HB GLU 43 2.315 1.881 -15.068 333 2HB GLU 43 2HB GLU 43 0.695 1.930 -14.390 334 1HG GLU 43 1HG GLU 43 0.629 2.997 -16.505 335 2HG GLU 43 2HG GLU 43 0.465 4.244 -15.270 336 H ILE 44 H ILE 44 0.282 2.388 -11.812 337 HA ILE 44 HA ILE 44 -1.343 4.753 -11.985 338 HB ILE 44 HB ILE 44 -1.729 2.510 -10.011 339 1HG1 ILE 44 1HG1 ILE 44 -1.470 1.519 -12.243 340 2HG1 ILE 44 2HG1 ILE 44 -3.138 1.401 -11.696 341 1HG2 ILE 44 1HG2 ILE 44 -3.108 4.476 -9.662 342 2HG2 ILE 44 2HG2 ILE 44 -4.099 3.136 -10.240 343 3HG2 ILE 44 3HG2 ILE 44 -3.637 4.431 -11.344 344 1HD1 ILE 44 1HD1 ILE 44 -3.729 3.310 -13.098 345 2HD1 ILE 44 2HD1 ILE 44 -3.021 1.998 -14.041 346 3HD1 ILE 44 3HD1 ILE 44 -2.056 3.421 -13.645 347 H ILE 45 H ILE 45 1.043 3.472 -9.778 348 HA ILE 45 HA ILE 45 0.435 5.026 -7.517 349 HB ILE 45 HB ILE 45 3.076 3.883 -8.453 350 1HG1 ILE 45 1HG1 ILE 45 1.135 3.083 -6.277 351 2HG1 ILE 45 2HG1 ILE 45 1.388 2.242 -7.802 352 1HG2 ILE 45 1HG2 ILE 45 3.475 5.877 -7.077 353 2HG2 ILE 45 2HG2 ILE 45 3.980 4.397 -6.260 354 3HG2 ILE 45 3HG2 ILE 45 2.472 5.187 -5.801 355 1HD1 ILE 45 1HD1 ILE 45 3.435 2.575 -5.622 356 2HD1 ILE 45 2HD1 ILE 45 3.665 1.707 -7.139 357 3HD1 ILE 45 3HD1 ILE 45 2.502 1.116 -5.954 358 H ARG 46 H ARG 46 2.600 5.659 -10.260 359 HA ARG 46 HA ARG 46 3.422 8.206 -9.330 360 1HB ARG 46 1HB ARG 46 4.214 8.512 -11.678 361 2HB ARG 46 2HB ARG 46 4.830 7.080 -10.877 362 1HG ARG 46 1HG ARG 46 2.991 5.812 -12.055 363 2HG ARG 46 2HG ARG 46 2.737 7.269 -13.016 364 1HD ARG 46 1HD ARG 46 5.275 5.656 -12.818 365 2HD ARG 46 2HD ARG 46 4.183 5.736 -14.199 366 HE ARG 46 HE ARG 46 5.843 7.984 -13.239 367 1HH1 ARG 46 1HH1 ARG 46 4.072 6.327 -15.778 368 2HH1 ARG 46 2HH1 ARG 46 4.748 7.308 -17.051 369 1HH2 ARG 46 1HH2 ARG 46 6.733 9.264 -14.918 370 2HH2 ARG 46 2HH2 ARG 46 6.228 8.995 -16.561 371 H LYS 47 H LYS 47 0.882 7.148 -11.546 372 HA LYS 47 HA LYS 47 -0.027 9.689 -12.307 373 1HB LYS 47 1HB LYS 47 -1.527 7.087 -12.005 374 2HB LYS 47 2HB LYS 47 -2.224 8.536 -12.717 375 1HG LYS 47 1HG LYS 47 -0.446 8.505 -14.427 376 2HG LYS 47 2HG LYS 47 0.141 6.987 -13.741 377 1HD LYS 47 1HD LYS 47 -1.965 5.907 -14.244 378 2HD LYS 47 2HD LYS 47 -2.636 7.430 -14.831 379 1HE LYS 47 1HE LYS 47 -0.836 7.475 -16.552 380 2HE LYS 47 2HE LYS 47 -0.360 5.863 -16.021 381 1HZ LYS 47 1HZ LYS 47 -1.868 5.950 -17.997 382 2HZ LYS 47 2HZ LYS 47 -3.096 6.505 -16.966 383 3HZ LYS 47 3HZ LYS 47 -2.414 4.971 -16.724 384 H SER 48 H SER 48 -1.013 7.604 -9.613 385 HA SER 48 HA SER 48 -2.868 9.457 -8.537 386 1HB SER 48 1HB SER 48 -1.426 7.231 -7.086 387 2HB SER 48 2HB SER 48 -2.929 8.016 -6.604 388 HG SER 48 HG SER 48 -2.475 6.340 -8.848 389 H ASN 49 H ASN 49 0.566 9.214 -8.402 390 HA ASN 49 HA ASN 49 0.965 10.668 -5.993 391 1HB ASN 49 1HB ASN 49 2.782 9.354 -6.925 392 2HB ASN 49 2HB ASN 49 2.741 10.283 -8.419 393 1HD2 ASN 49 1HD2 ASN 49 3.769 12.239 -8.516 394 2HD2 ASN 49 2HD2 ASN 49 4.769 12.857 -7.243 395 H ALA 50 H ALA 50 0.471 11.516 -9.343 396 HA ALA 50 HA ALA 50 0.848 14.338 -8.967 397 1HB ALA 50 1HB ALA 50 -0.544 12.857 -11.200 398 2HB ALA 50 2HB ALA 50 1.167 13.280 -11.159 399 3HB ALA 50 3HB ALA 50 -0.055 14.550 -11.225 400 H GLU 51 H GLU 51 -1.743 12.070 -8.690 401 HA GLU 51 HA GLU 51 -3.898 13.934 -8.664 402 1HB GLU 51 1HB GLU 51 -3.690 11.106 -7.622 403 2HB GLU 51 2HB GLU 51 -5.187 12.021 -7.709 404 1HG GLU 51 1HG GLU 51 -3.472 11.378 -10.089 405 2HG GLU 51 2HG GLU 51 -4.838 10.398 -9.558 406 H LEU 52 H LEU 52 -1.853 12.480 -6.176 407 HA LEU 52 HA LEU 52 -3.028 14.214 -4.164 408 1HB LEU 52 1HB LEU 52 -3.496 12.260 -2.679 409 2HB LEU 52 2HB LEU 52 -4.544 12.390 -4.078 410 HG LEU 52 HG LEU 52 -3.051 10.682 -5.208 411 1HD1 LEU 52 1HD1 LEU 52 -1.760 9.209 -3.778 412 2HD1 LEU 52 2HD1 LEU 52 -2.100 10.241 -2.387 413 3HD1 LEU 52 3HD1 LEU 52 -1.128 10.856 -3.725 414 1HD2 LEU 52 1HD2 LEU 52 -5.240 10.129 -4.400 415 2HD2 LEU 52 2HD2 LEU 52 -4.613 9.913 -2.764 416 3HD2 LEU 52 3HD2 LEU 52 -4.119 8.812 -4.050 417 H GLY 53 H GLY 53 -2.020 13.776 -1.980 418 1HA GLY 53 1HA GLY 53 0.631 12.521 -2.112 419 2HA GLY 53 2HA GLY 53 0.516 14.183 -1.548 420 H ARG 54 H ARG 54 -2.274 13.097 -0.513 421 HA ARG 54 HA ARG 54 -1.201 11.989 1.995 422 1HB ARG 54 1HB ARG 54 -1.693 14.324 2.343 423 2HB ARG 54 2HB ARG 54 -3.279 14.150 1.615 424 1HG ARG 54 1HG ARG 54 -2.646 12.555 4.046 425 2HG ARG 54 2HG ARG 54 -2.966 14.283 4.217 426 1HD ARG 54 1HD ARG 54 -5.005 13.520 2.587 427 2HD ARG 54 2HD ARG 54 -4.790 12.069 3.566 428 HE ARG 54 HE ARG 54 -5.015 13.636 5.539 429 1HH1 ARG 54 1HH1 ARG 54 -6.545 14.222 2.450 430 2HH1 ARG 54 2HH1 ARG 54 -7.770 15.271 3.093 431 1HH2 ARG 54 1HH2 ARG 54 -6.644 15.026 6.410 432 2HH2 ARG 54 2HH2 ARG 54 -7.811 15.735 5.332 433 H LEU 55 H LEU 55 -3.878 12.108 -0.286 434 HA LEU 55 HA LEU 55 -5.461 10.234 1.243 435 1HB LEU 55 1HB LEU 55 -5.840 11.389 -1.517 436 2HB LEU 55 2HB LEU 55 -6.939 10.225 -0.801 437 HG LEU 55 HG LEU 55 -7.942 12.343 -0.532 438 1HD1 LEU 55 1HD1 LEU 55 -6.617 11.631 2.075 439 2HD1 LEU 55 2HD1 LEU 55 -8.102 10.929 1.429 440 3HD1 LEU 55 3HD1 LEU 55 -8.056 12.633 1.883 441 1HD2 LEU 55 1HD2 LEU 55 -6.842 14.259 0.512 442 2HD2 LEU 55 2HD2 LEU 55 -6.014 13.755 -0.961 443 3HD2 LEU 55 3HD2 LEU 55 -5.341 13.339 0.615 444 H GLY 56 H GLY 56 -6.328 8.257 0.104 445 1HA GLY 56 1HA GLY 56 -4.135 6.909 -1.333 446 2HA GLY 56 2HA GLY 56 -5.286 6.095 -0.284 447 H TYR 57 H TYR 57 -4.570 7.090 -3.424 448 HA TYR 57 HA TYR 57 -7.240 6.970 -4.495 449 1HB TYR 57 1HB TYR 57 -5.311 8.328 -5.439 450 2HB TYR 57 2HB TYR 57 -4.616 6.815 -5.997 451 HD1 TYR 57 HD1 TYR 57 -7.273 9.276 -6.485 452 HD2 TYR 57 HD2 TYR 57 -5.597 5.623 -7.875 453 HE1 TYR 57 HE1 TYR 57 -8.558 9.486 -8.566 454 HE2 TYR 57 HE2 TYR 57 -6.880 5.821 -9.960 455 HH TYR 57 HH TYR 57 -8.343 8.645 -10.954 456 H SER 58 H SER 58 -8.248 5.197 -5.345 457 HA SER 58 HA SER 58 -7.203 2.617 -4.820 458 1HB SER 58 1HB SER 58 -9.497 3.373 -6.647 459 2HB SER 58 2HB SER 58 -9.207 1.791 -5.921 460 HG SER 58 HG SER 58 -10.767 3.333 -4.874 461 H VAL 59 H VAL 59 -5.523 1.825 -5.879 462 HA VAL 59 HA VAL 59 -5.109 2.538 -8.683 463 HB VAL 59 HB VAL 59 -2.857 1.592 -8.414 464 1HG1 VAL 59 1HG1 VAL 59 -1.976 3.281 -6.916 465 2HG1 VAL 59 2HG1 VAL 59 -3.575 3.522 -6.213 466 3HG1 VAL 59 3HG1 VAL 59 -3.278 3.950 -7.899 467 1HG2 VAL 59 1HG2 VAL 59 -3.673 1.094 -5.549 468 2HG2 VAL 59 2HG2 VAL 59 -2.049 0.897 -6.212 469 3HG2 VAL 59 3HG2 VAL 59 -3.361 -0.144 -6.766 470 H TYR 60 H TYR 60 -5.844 -0.162 -6.619 471 HA TYR 60 HA TYR 60 -6.309 -1.786 -9.009 472 1HB TYR 60 1HB TYR 60 -4.115 -2.465 -8.156 473 2HB TYR 60 2HB TYR 60 -4.799 -2.708 -6.554 474 HD1 TYR 60 HD1 TYR 60 -5.951 -4.729 -6.001 475 HD2 TYR 60 HD2 TYR 60 -4.725 -4.002 -10.008 476 HE1 TYR 60 HE1 TYR 60 -6.439 -7.070 -6.568 477 HE2 TYR 60 HE2 TYR 60 -5.214 -6.343 -10.588 478 HH TYR 60 HH TYR 60 -6.981 -8.422 -8.536 479 H GLU 61 H GLU 61 -8.514 -1.739 -8.839 480 HA GLU 61 HA GLU 61 -9.655 -2.638 -6.294 481 1HB GLU 61 1HB GLU 61 -10.680 -0.625 -7.196 482 2HB GLU 61 2HB GLU 61 -11.012 -1.442 -8.716 483 1HG GLU 61 1HG GLU 61 -12.725 -2.693 -7.829 484 2HG GLU 61 2HG GLU 61 -12.115 -2.561 -6.184 485 H ASP 62 H ASP 62 -9.935 -4.681 -6.062 486 HA ASP 62 HA ASP 62 -10.345 -6.402 -8.411 487 1HB ASP 62 1HB ASP 62 -8.263 -6.788 -7.061 488 2HB ASP 62 2HB ASP 62 -9.273 -7.105 -5.658 489 H ALA 63 H ALA 63 -11.716 -8.389 -7.811 490 HA ALA 63 HA ALA 63 -14.180 -7.477 -6.746 491 1HB ALA 63 1HB ALA 63 -14.973 -9.748 -7.122 492 2HB ALA 63 2HB ALA 63 -13.316 -10.303 -7.358 493 3HB ALA 63 3HB ALA 63 -14.042 -9.184 -8.511 494 H GLN 64 H GLN 64 -11.377 -8.889 -5.392 495 HA GLN 64 HA GLN 64 -12.760 -9.719 -2.955 496 1HB GLN 64 1HB GLN 64 -9.821 -9.866 -3.639 497 2HB GLN 64 2HB GLN 64 -10.626 -10.663 -2.293 498 1HG GLN 64 1HG GLN 64 -11.831 -12.097 -3.787 499 2HG GLN 64 2HG GLN 64 -11.217 -11.220 -5.190 500 1HE2 GLN 64 1HE2 GLN 64 -9.051 -11.432 -5.757 501 2HE2 GLN 64 2HE2 GLN 64 -8.102 -12.784 -5.234 502 H TYR 65 H TYR 65 -10.055 -7.569 -3.874 503 HA TYR 65 HA TYR 65 -10.564 -5.986 -1.454 504 1HB TYR 65 1HB TYR 65 -7.804 -6.889 -2.294 505 2HB TYR 65 2HB TYR 65 -8.209 -5.944 -0.874 506 HD1 TYR 65 HD1 TYR 65 -9.331 -7.005 1.043 507 HD2 TYR 65 HD2 TYR 65 -8.066 -9.279 -2.316 508 HE1 TYR 65 HE1 TYR 65 -9.585 -9.067 2.354 509 HE2 TYR 65 HE2 TYR 65 -8.314 -11.350 -1.014 510 HH TYR 65 HH TYR 65 -10.020 -11.570 1.794 511 H ILE 66 H ILE 66 -9.227 -3.914 -1.505 512 HA ILE 66 HA ILE 66 -8.865 -2.937 -4.262 513 HB ILE 66 HB ILE 66 -10.157 -1.372 -2.021 514 1HG1 ILE 66 1HG1 ILE 66 -11.438 -2.441 -4.540 515 2HG1 ILE 66 2HG1 ILE 66 -11.584 -3.205 -2.963 516 1HG2 ILE 66 1HG2 ILE 66 -9.718 -0.698 -4.931 517 2HG2 ILE 66 2HG2 ILE 66 -8.869 0.011 -3.558 518 3HG2 ILE 66 3HG2 ILE 66 -10.597 0.298 -3.771 519 1HD1 ILE 66 1HD1 ILE 66 -12.684 -1.218 -2.093 520 2HD1 ILE 66 2HD1 ILE 66 -13.539 -1.858 -3.496 521 3HD1 ILE 66 3HD1 ILE 66 -12.516 -0.431 -3.661 522 H GLY 67 H GLY 67 -6.915 -2.101 -4.542 523 1HA GLY 67 1HA GLY 67 -5.271 -1.459 -2.204 524 2HA GLY 67 2HA GLY 67 -4.696 -1.669 -3.853 525 H HIS 68 H HIS 68 -4.425 0.516 -1.777 526 HA HIS 68 HA HIS 68 -5.246 2.764 -3.504 527 1HB HIS 68 1HB HIS 68 -5.127 2.889 -0.484 528 2HB HIS 68 2HB HIS 68 -5.752 4.113 -1.578 529 HD1 HIS 68 HD1 HIS 68 -8.175 3.826 -2.412 530 HD2 HIS 68 HD2 HIS 68 -6.859 0.750 0.055 531 HE1 HIS 68 HE1 HIS 68 -10.238 2.531 -1.786 532 HE2 HIS 68 HE2 HIS 68 -9.434 0.773 -0.163 533 H ALA 69 H ALA 69 -3.602 4.129 -4.035 534 HA ALA 69 HA ALA 69 -0.959 3.547 -2.975 535 1HB ALA 69 1HB ALA 69 -1.870 5.464 -5.114 536 2HB ALA 69 2HB ALA 69 -1.108 3.889 -5.344 537 3HB ALA 69 3HB ALA 69 -0.188 5.222 -4.642 538 H PHE 70 H PHE 70 -0.073 4.563 -1.335 539 HA PHE 70 HA PHE 70 -0.946 7.309 -0.720 540 1HB PHE 70 1HB PHE 70 0.084 5.126 1.090 541 2HB PHE 70 2HB PHE 70 -0.058 6.806 1.596 542 HD1 PHE 70 HD1 PHE 70 -1.883 3.767 0.704 543 HD2 PHE 70 HD2 PHE 70 -2.200 7.811 1.989 544 HE1 PHE 70 HE1 PHE 70 -4.234 3.386 1.310 545 HE2 PHE 70 HE2 PHE 70 -4.551 7.435 2.597 546 HZ PHE 70 HZ PHE 70 -5.570 5.223 2.258 547 H LYS 71 H LYS 71 0.570 8.874 -0.511 548 HA LYS 71 HA LYS 71 3.267 8.287 -1.367 549 1HB LYS 71 1HB LYS 71 1.685 10.748 -0.849 550 2HB LYS 71 2HB LYS 71 3.428 10.867 -0.671 551 1HG LYS 71 1HG LYS 71 2.953 11.541 -2.868 552 2HG LYS 71 2HG LYS 71 3.610 9.910 -2.992 553 1HD LYS 71 1HD LYS 71 0.658 10.222 -2.802 554 2HD LYS 71 2HD LYS 71 1.444 10.651 -4.323 555 1HE LYS 71 1HE LYS 71 2.463 8.419 -4.410 556 2HE LYS 71 2HE LYS 71 1.651 7.997 -2.902 557 1HZ LYS 71 1HZ LYS 71 -0.464 8.217 -3.963 558 2HZ LYS 71 2HZ LYS 71 0.495 7.193 -4.910 559 3HZ LYS 71 3HZ LYS 71 0.244 8.796 -5.389 560 H LYS 72 H LYS 72 4.917 7.862 -0.080 561 HA LYS 72 HA LYS 72 4.652 8.477 2.792 562 1HB LYS 72 1HB LYS 72 6.184 6.178 1.559 563 2HB LYS 72 2HB LYS 72 5.945 6.480 3.273 564 1HG LYS 72 1HG LYS 72 3.767 5.818 1.306 565 2HG LYS 72 2HG LYS 72 4.524 4.676 2.415 566 1HD LYS 72 1HD LYS 72 2.946 7.129 3.195 567 2HD LYS 72 2HD LYS 72 2.379 5.461 3.280 568 1HE LYS 72 1HE LYS 72 4.202 4.966 4.877 569 2HE LYS 72 2HE LYS 72 4.659 6.669 4.840 570 1HZ LYS 72 1HZ LYS 72 3.305 6.616 6.663 571 2HZ LYS 72 2HZ LYS 72 2.306 5.400 6.045 572 3HZ LYS 72 3HZ LYS 72 2.157 6.988 5.468 573 H ALA 73 H ALA 73 7.032 8.269 3.787 574 HA ALA 73 HA ALA 73 8.484 10.448 2.701 575 1HB ALA 73 1HB ALA 73 10.099 10.020 4.465 576 2HB ALA 73 2HB ALA 73 9.360 8.449 4.781 577 3HB ALA 73 3HB ALA 73 8.455 9.929 5.098 578 H GLY 74 H GLY 74 9.250 10.134 0.683 579 1HA GLY 74 1HA GLY 74 10.745 9.467 -0.930 580 2HA GLY 74 2HA GLY 74 11.646 8.649 0.337 581 H HIS 75 H HIS 75 8.367 7.730 0.097 582 HA HIS 75 HA HIS 75 8.990 5.416 -1.576 583 1HB HIS 75 1HB HIS 75 8.066 5.270 1.293 584 2HB HIS 75 2HB HIS 75 7.931 3.919 0.177 585 HD1 HIS 75 HD1 HIS 75 9.824 4.517 2.875 586 HD2 HIS 75 HD2 HIS 75 10.921 3.933 -1.088 587 HE1 HIS 75 HE1 HIS 75 12.231 3.784 2.938 588 HE2 HIS 75 HE2 HIS 75 12.905 3.542 0.517 589 H PHE 76 H PHE 76 6.962 4.048 -1.860 590 HA PHE 76 HA PHE 76 4.494 5.629 -1.661 591 1HB PHE 76 1HB PHE 76 5.442 4.140 -4.121 592 2HB PHE 76 2HB PHE 76 3.859 4.890 -3.937 593 HD1 PHE 76 HD1 PHE 76 7.055 5.294 -5.252 594 HD2 PHE 76 HD2 PHE 76 3.971 7.466 -3.288 595 HE1 PHE 76 HE1 PHE 76 7.953 7.393 -6.169 596 HE2 PHE 76 HE2 PHE 76 4.869 9.567 -4.201 597 HZ PHE 76 HZ PHE 76 6.857 9.531 -5.646 598 H ILE 77 H ILE 77 3.048 4.403 -0.550 599 HA ILE 77 HA ILE 77 3.402 1.481 -0.744 600 HB ILE 77 HB ILE 77 2.452 3.022 1.676 601 1HG1 ILE 77 1HG1 ILE 77 5.019 1.507 1.136 602 2HG1 ILE 77 2HG1 ILE 77 4.858 3.252 1.291 603 1HG2 ILE 77 1HG2 ILE 77 2.541 0.828 2.811 604 2HG2 ILE 77 2HG2 ILE 77 2.875 0.062 1.258 605 3HG2 ILE 77 3HG2 ILE 77 1.335 0.878 1.524 606 1HD1 ILE 77 1HD1 ILE 77 5.776 2.267 3.309 607 2HD1 ILE 77 2HD1 ILE 77 4.352 1.239 3.471 608 3HD1 ILE 77 3HD1 ILE 77 4.198 2.989 3.624 609 H VAL 78 H VAL 78 1.730 0.266 -1.247 610 HA VAL 78 HA VAL 78 -0.857 1.592 -1.679 611 HB VAL 78 HB VAL 78 0.203 -0.991 -2.848 612 1HG1 VAL 78 1HG1 VAL 78 -2.335 0.525 -3.451 613 2HG1 VAL 78 2HG1 VAL 78 -2.220 -1.030 -2.626 614 3HG1 VAL 78 3HG1 VAL 78 -1.751 -0.895 -4.321 615 1HG2 VAL 78 1HG2 VAL 78 -0.155 1.727 -4.104 616 2HG2 VAL 78 2HG2 VAL 78 0.322 0.259 -4.955 617 3HG2 VAL 78 3HG2 VAL 78 1.379 0.947 -3.724 618 H TYR 79 H TYR 79 -2.233 1.285 -0.050 619 HA TYR 79 HA TYR 79 -2.078 -1.147 1.545 620 1HB TYR 79 1HB TYR 79 -3.487 1.485 1.877 621 2HB TYR 79 2HB TYR 79 -3.930 0.094 2.858 622 HD1 TYR 79 HD1 TYR 79 -1.258 2.519 2.114 623 HD2 TYR 79 HD2 TYR 79 -2.489 -0.706 4.601 624 HE1 TYR 79 HE1 TYR 79 0.595 3.002 3.651 625 HE2 TYR 79 HE2 TYR 79 -0.645 -0.223 6.150 626 HH TYR 79 HH TYR 79 1.617 0.866 6.020 627 H PHE 80 H PHE 80 -3.375 -2.809 1.282 628 HA PHE 80 HA PHE 80 -5.587 -2.584 -0.610 629 1HB PHE 80 1HB PHE 80 -4.058 -4.946 0.476 630 2HB PHE 80 2HB PHE 80 -5.497 -5.110 -0.518 631 HD1 PHE 80 HD1 PHE 80 -5.434 -4.714 -2.870 632 HD2 PHE 80 HD2 PHE 80 -1.992 -4.025 -0.465 633 HE1 PHE 80 HE1 PHE 80 -4.054 -4.552 -4.901 634 HE2 PHE 80 HE2 PHE 80 -0.606 -3.863 -2.491 635 HZ PHE 80 HZ PHE 80 -1.635 -4.127 -4.713 636 H THR 81 H THR 81 -7.525 -2.318 0.166 637 HA THR 81 HA THR 81 -8.158 -3.280 2.872 638 HB THR 81 HB THR 81 -10.056 -1.694 2.780 639 HG1 THR 81 HG1 THR 81 -9.615 -1.727 0.205 640 1HG2 THR 81 1HG2 THR 81 -7.945 -0.953 3.753 641 2HG2 THR 81 2HG2 THR 81 -8.744 0.378 2.915 642 3HG2 THR 81 3HG2 THR 81 -7.378 -0.445 2.163 643 HA PRO 82 HA PRO 82 -10.910 -6.302 1.086 644 1HB PRO 82 1HB PRO 82 -12.557 -6.705 3.204 645 2HB PRO 82 2HB PRO 82 -10.908 -7.334 3.133 646 1HG PRO 82 1HG PRO 82 -11.944 -4.891 4.517 647 2HG PRO 82 2HG PRO 82 -10.786 -6.099 5.098 648 1HD PRO 82 1HD PRO 82 -10.018 -3.697 4.119 649 2HD PRO 82 2HD PRO 82 -9.033 -5.162 3.943 650 H LYS 83 H LYS 83 -11.526 -4.151 -0.130 651 HA LYS 83 HA LYS 83 -13.105 -2.857 -1.095 652 1HB LYS 83 1HB LYS 83 -14.365 -5.481 -0.645 653 2HB LYS 83 2HB LYS 83 -15.458 -4.169 -1.062 654 1HG LYS 83 1HG LYS 83 -13.950 -3.692 -3.028 655 2HG LYS 83 2HG LYS 83 -13.129 -5.207 -2.651 656 1HD LYS 83 1HD LYS 83 -15.084 -6.474 -3.068 657 2HD LYS 83 2HD LYS 83 -16.097 -5.028 -3.105 658 1HE LYS 83 1HE LYS 83 -13.910 -5.651 -5.084 659 2HE LYS 83 2HE LYS 83 -15.620 -5.973 -5.355 660 1HZ LYS 83 1HZ LYS 83 -15.035 -3.923 -6.408 661 2HZ LYS 83 2HZ LYS 83 -14.346 -3.313 -4.988 662 3HZ LYS 83 3HZ LYS 83 -16.018 -3.558 -5.072 663 H ASN 84 H ASN 84 -12.863 -2.397 1.862 664 HA ASN 84 HA ASN 84 -15.551 -1.489 2.478 665 1HB ASN 84 1HB ASN 84 -14.551 -0.524 4.546 666 2HB ASN 84 2HB ASN 84 -14.294 -2.254 4.382 667 1HD2 ASN 84 1HD2 ASN 84 -12.268 -3.033 4.311 668 2HD2 ASN 84 2HD2 ASN 84 -10.844 -2.060 4.479 669 H LYS 85 H LYS 85 -14.935 -0.457 0.171 670 HA LYS 85 HA LYS 85 -13.540 2.009 0.171 671 1HB LYS 85 1HB LYS 85 -13.958 0.607 -1.840 672 2HB LYS 85 2HB LYS 85 -15.667 1.004 -1.735 673 1HG LYS 85 1HG LYS 85 -15.226 3.305 -2.229 674 2HG LYS 85 2HG LYS 85 -13.484 3.038 -2.134 675 1HD LYS 85 1HD LYS 85 -14.226 3.131 -4.460 676 2HD LYS 85 2HD LYS 85 -13.611 1.526 -4.060 677 1HE LYS 85 1HE LYS 85 -15.964 0.795 -3.681 678 2HE LYS 85 2HE LYS 85 -16.499 2.370 -4.263 679 1HZ LYS 85 1HZ LYS 85 -16.597 0.753 -6.027 680 2HZ LYS 85 2HZ LYS 85 -14.962 0.347 -5.814 681 3HZ LYS 85 3HZ LYS 85 -15.388 1.887 -6.381 682 H ASN 86 H ASN 86 -16.895 1.084 0.651 683 HA ASN 86 HA ASN 86 -17.347 3.641 1.965 684 1HB ASN 86 1HB ASN 86 -18.113 4.052 -0.333 685 2HB ASN 86 2HB ASN 86 -19.151 2.632 -0.249 686 1HD2 ASN 86 1HD2 ASN 86 -18.691 5.908 0.788 687 2HD2 ASN 86 2HD2 ASN 86 -20.279 6.146 1.435 688 H ARG 87 H ARG 87 -18.593 3.421 3.740 689 HA ARG 87 HA ARG 87 -20.309 1.043 3.977 690 1HB ARG 87 1HB ARG 87 -18.777 2.161 6.323 691 2HB ARG 87 2HB ARG 87 -19.663 0.649 6.236 692 1HG ARG 87 1HG ARG 87 -17.976 -0.222 4.671 693 2HG ARG 87 2HG ARG 87 -17.073 1.286 4.838 694 1HD ARG 87 1HD ARG 87 -17.593 -0.830 6.905 695 2HD ARG 87 2HD ARG 87 -16.047 -0.208 6.332 696 HE ARG 87 HE ARG 87 -17.771 1.711 7.671 697 1HH1 ARG 87 1HH1 ARG 87 -15.069 -0.516 7.970 698 2HH1 ARG 87 2HH1 ARG 87 -14.529 0.177 9.475 699 1HH2 ARG 87 1HH2 ARG 87 -17.042 2.608 9.619 700 2HH2 ARG 87 2HH2 ARG 87 -15.632 1.951 10.400 701 H GLU 88 H GLU 88 -19.438 3.811 5.974 702 HA GLU 88 HA GLU 88 -22.076 5.008 5.552 703 1HB GLU 88 1HB GLU 88 -21.433 3.687 7.888 704 2HB GLU 88 2HB GLU 88 -20.971 5.339 8.264 705 1HG GLU 88 1HG GLU 88 -23.686 4.446 7.321 706 2HG GLU 88 2HG GLU 88 -23.246 4.838 8.980 707 H GLY 89 H GLY 89 -21.148 7.028 7.674 708 1HA GLY 89 1HA GLY 89 -19.736 8.766 5.886 709 2HA GLY 89 2HA GLY 89 -20.154 9.108 7.557 710 H VAL 90 H VAL 90 -18.119 6.618 6.053 711 HA VAL 90 HA VAL 90 -15.886 7.513 7.759 712 HB VAL 90 HB VAL 90 -14.952 5.208 7.411 713 1HG1 VAL 90 1HG1 VAL 90 -16.446 4.142 9.049 714 2HG1 VAL 90 2HG1 VAL 90 -17.627 5.424 8.784 715 3HG1 VAL 90 3HG1 VAL 90 -16.053 5.805 9.480 716 1HG2 VAL 90 1HG2 VAL 90 -16.498 3.435 6.707 717 2HG2 VAL 90 2HG2 VAL 90 -16.195 4.593 5.412 718 3HG2 VAL 90 3HG2 VAL 90 -17.710 4.655 6.316 719 H VAL 91 H VAL 91 -16.872 8.307 5.034 720 HA VAL 91 HA VAL 91 -14.639 7.681 3.299 721 HB VAL 91 HB VAL 91 -15.752 9.276 1.731 722 1HG1 VAL 91 1HG1 VAL 91 -17.758 7.888 1.327 723 2HG1 VAL 91 2HG1 VAL 91 -17.495 7.102 2.885 724 3HG1 VAL 91 3HG1 VAL 91 -16.300 6.933 1.598 725 1HG2 VAL 91 1HG2 VAL 91 -17.995 10.112 2.273 726 2HG2 VAL 91 2HG2 VAL 91 -16.771 10.769 3.361 727 3HG2 VAL 91 3HG2 VAL 91 -17.831 9.472 3.908 728 HA PRO 92 HA PRO 92 -11.772 10.953 4.033 729 1HB PRO 92 1HB PRO 92 -12.259 12.502 1.679 730 2HB PRO 92 2HB PRO 92 -10.938 11.372 1.983 731 1HG PRO 92 1HG PRO 92 -13.470 10.961 0.517 732 2HG PRO 92 2HG PRO 92 -11.915 10.133 0.338 733 1HD PRO 92 1HD PRO 92 -14.031 8.928 1.461 734 2HD PRO 92 2HD PRO 92 -12.383 8.629 2.045 735 HA PRO 93 HA PRO 93 -14.640 13.944 5.810 736 1HB PRO 93 1HB PRO 93 -12.220 14.848 7.220 737 2HB PRO 93 2HB PRO 93 -13.743 14.247 7.882 738 1HG PRO 93 1HG PRO 93 -11.482 12.799 7.991 739 2HG PRO 93 2HG PRO 93 -13.074 12.044 7.780 740 1HD PRO 93 1HD PRO 93 -10.956 12.607 5.734 741 2HD PRO 93 2HD PRO 93 -11.990 11.173 5.922 742 H VAL 94 H VAL 94 -15.098 15.480 4.349 743 HA VAL 94 HA VAL 94 -13.123 16.929 2.920 744 HB VAL 94 HB VAL 94 -15.270 16.571 1.892 745 1HG1 VAL 94 1HG1 VAL 94 -16.673 16.506 3.876 746 2HG1 VAL 94 2HG1 VAL 94 -17.318 17.638 2.689 747 3HG1 VAL 94 3HG1 VAL 94 -16.456 18.242 4.104 748 1HG2 VAL 94 1HG2 VAL 94 -14.845 19.494 2.503 749 2HG2 VAL 94 2HG2 VAL 94 -15.817 18.856 1.175 750 3HG2 VAL 94 3HG2 VAL 94 -14.077 18.568 1.211 751 H GLY 95 H GLY 95 -11.975 18.581 3.547 752 1HA GLY 95 1HA GLY 95 -12.819 20.860 4.868 753 2HA GLY 95 2HA GLY 95 -12.261 19.751 6.116 754 H ILE 96 H ILE 96 -10.083 19.212 6.244 755 HA ILE 96 HA ILE 96 -8.269 20.978 4.794 756 HB ILE 96 HB ILE 96 -7.681 18.956 6.968 757 1HG1 ILE 96 1HG1 ILE 96 -9.061 20.818 7.775 758 2HG1 ILE 96 2HG1 ILE 96 -7.433 20.911 8.441 759 1HG2 ILE 96 1HG2 ILE 96 -5.745 19.336 5.551 760 2HG2 ILE 96 2HG2 ILE 96 -5.498 20.067 7.137 761 3HG2 ILE 96 3HG2 ILE 96 -5.915 21.081 5.756 762 1HD1 ILE 96 1HD1 ILE 96 -8.467 22.524 6.120 763 2HD1 ILE 96 2HD1 ILE 96 -6.861 22.644 6.838 764 3HD1 ILE 96 3HD1 ILE 96 -8.284 23.100 7.778 765 H THR 97 H THR 97 -7.757 20.316 2.818 766 HA THR 97 HA THR 97 -6.968 19.056 1.097 767 HB THR 97 HB THR 97 -6.235 16.907 3.093 768 HG1 THR 97 HG1 THR 97 -5.320 19.436 2.952 769 1HG2 THR 97 1HG2 THR 97 -4.461 16.411 1.471 770 2HG2 THR 97 2HG2 THR 97 -5.060 17.699 0.424 771 3HG2 THR 97 3HG2 THR 97 -6.058 16.279 0.734 772 H ASN 98 H ASN 98 -8.635 18.439 -0.149 773 HA ASN 98 HA ASN 98 -10.152 16.058 0.685 774 1HB ASN 98 1HB ASN 98 -12.117 17.091 -0.557 775 2HB ASN 98 2HB ASN 98 -11.683 17.838 0.974 776 1HD2 ASN 98 1HD2 ASN 98 -11.605 18.175 -2.497 777 2HD2 ASN 98 2HD2 ASN 98 -11.356 19.890 -2.520 Start of MODEL 8 1 H MET 1 H MET 1 -19.089 11.124 -5.039 2 HA MET 1 HA MET 1 -17.867 10.356 -3.122 3 1HB MET 1 1HB MET 1 -17.442 8.883 -5.716 4 2HB MET 1 2HB MET 1 -16.977 8.199 -4.165 5 1HG MET 1 1HG MET 1 -19.297 8.359 -3.407 6 2HG MET 1 2HG MET 1 -19.755 9.031 -4.971 7 1HE MET 1 1HE MET 1 -21.267 5.374 -4.947 8 2HE MET 1 2HE MET 1 -21.642 7.094 -5.068 9 3HE MET 1 3HE MET 1 -21.062 6.424 -3.544 10 H LYS 2 H LYS 2 -15.665 10.173 -5.925 11 HA LYS 2 HA LYS 2 -13.425 10.316 -6.120 12 1HB LYS 2 1HB LYS 2 -13.593 12.565 -5.214 13 2HB LYS 2 2HB LYS 2 -13.592 11.938 -3.571 14 1HG LYS 2 1HG LYS 2 -11.425 12.861 -4.163 15 2HG LYS 2 2HG LYS 2 -11.311 11.124 -3.879 16 1HD LYS 2 1HD LYS 2 -10.008 11.657 -5.822 17 2HD LYS 2 2HD LYS 2 -11.447 10.779 -6.342 18 1HE LYS 2 1HE LYS 2 -12.513 12.881 -6.972 19 2HE LYS 2 2HE LYS 2 -11.092 13.772 -6.426 20 1HZ LYS 2 1HZ LYS 2 -11.177 13.409 -8.857 21 2HZ LYS 2 2HZ LYS 2 -11.046 11.741 -8.591 22 3HZ LYS 2 3HZ LYS 2 -9.780 12.771 -8.135 23 H SER 3 H SER 3 -12.424 8.483 -5.973 24 HA SER 3 HA SER 3 -12.699 6.813 -3.631 25 1HB SER 3 1HB SER 3 -11.168 6.269 -6.181 26 2HB SER 3 2HB SER 3 -11.733 5.083 -5.002 27 HG SER 3 HG SER 3 -13.422 6.799 -6.513 28 H SER 4 H SER 4 -11.005 9.290 -3.571 29 HA SER 4 HA SER 4 -8.428 8.099 -2.827 30 1HB SER 4 1HB SER 4 -9.167 11.030 -3.041 31 2HB SER 4 2HB SER 4 -7.549 10.361 -2.826 32 HG SER 4 HG SER 4 -8.630 9.213 -4.957 33 H ILE 5 H ILE 5 -8.496 7.366 -0.807 34 HA ILE 5 HA ILE 5 -10.241 8.715 1.149 35 HB ILE 5 HB ILE 5 -9.142 5.901 1.286 36 1HG1 ILE 5 1HG1 ILE 5 -11.902 6.712 0.374 37 2HG1 ILE 5 2HG1 ILE 5 -10.589 6.340 -0.739 38 1HG2 ILE 5 1HG2 ILE 5 -10.972 5.534 2.880 39 2HG2 ILE 5 2HG2 ILE 5 -11.439 7.228 2.729 40 3HG2 ILE 5 3HG2 ILE 5 -9.875 6.801 3.429 41 1HD1 ILE 5 1HD1 ILE 5 -10.448 4.087 0.208 42 2HD1 ILE 5 2HD1 ILE 5 -12.042 4.434 -0.463 43 3HD1 ILE 5 3HD1 ILE 5 -11.794 4.468 1.283 44 HA PRO 6 HA PRO 6 -6.603 9.874 3.465 45 1HB PRO 6 1HB PRO 6 -7.735 9.948 5.972 46 2HB PRO 6 2HB PRO 6 -7.811 11.261 4.795 47 1HG PRO 6 1HG PRO 6 -9.856 9.213 5.496 48 2HG PRO 6 2HG PRO 6 -10.075 10.918 5.066 49 1HD PRO 6 1HD PRO 6 -10.559 8.881 3.338 50 2HD PRO 6 2HD PRO 6 -10.010 10.485 2.807 51 H ILE 7 H ILE 7 -5.083 8.964 4.860 52 HA ILE 7 HA ILE 7 -5.115 6.114 4.804 53 HB ILE 7 HB ILE 7 -3.044 7.438 4.498 54 1HG1 ILE 7 1HG1 ILE 7 -1.572 5.988 5.844 55 2HG1 ILE 7 2HG1 ILE 7 -2.946 5.512 6.836 56 1HG2 ILE 7 1HG2 ILE 7 -3.251 7.947 7.458 57 2HG2 ILE 7 2HG2 ILE 7 -3.465 9.150 6.185 58 3HG2 ILE 7 3HG2 ILE 7 -1.893 8.383 6.420 59 1HD1 ILE 7 1HD1 ILE 7 -2.580 4.953 3.902 60 2HD1 ILE 7 2HD1 ILE 7 -3.987 4.499 4.865 61 3HD1 ILE 7 3HD1 ILE 7 -2.408 3.796 5.224 62 H THR 8 H THR 8 -5.938 8.488 7.188 63 HA THR 8 HA THR 8 -5.657 6.986 9.524 64 HB THR 8 HB THR 8 -6.140 9.426 9.460 65 HG1 THR 8 HG1 THR 8 -7.365 9.400 11.333 66 1HG2 THR 8 1HG2 THR 8 -8.460 10.189 9.241 67 2HG2 THR 8 2HG2 THR 8 -8.960 8.547 8.838 68 3HG2 THR 8 3HG2 THR 8 -7.888 9.434 7.753 69 H GLU 9 H GLU 9 -7.963 6.738 6.967 70 HA GLU 9 HA GLU 9 -9.726 5.000 8.531 71 1HB GLU 9 1HB GLU 9 -9.951 6.025 5.691 72 2HB GLU 9 2HB GLU 9 -11.159 5.049 6.511 73 1HG GLU 9 1HG GLU 9 -10.271 7.750 7.482 74 2HG GLU 9 2HG GLU 9 -11.638 7.502 6.399 75 H VAL 10 H VAL 10 -7.756 4.995 5.596 76 HA VAL 10 HA VAL 10 -8.368 2.330 4.862 77 HB VAL 10 HB VAL 10 -6.102 4.115 3.967 78 1HG1 VAL 10 1HG1 VAL 10 -5.918 2.615 2.041 79 2HG1 VAL 10 2HG1 VAL 10 -7.116 1.543 2.763 80 3HG1 VAL 10 3HG1 VAL 10 -5.557 1.781 3.552 81 1HG2 VAL 10 1HG2 VAL 10 -8.784 3.493 2.738 82 2HG2 VAL 10 2HG2 VAL 10 -7.514 4.455 1.983 83 3HG2 VAL 10 3HG2 VAL 10 -8.291 5.025 3.460 84 H LEU 11 H LEU 11 -5.696 3.762 6.680 85 HA LEU 11 HA LEU 11 -3.908 1.657 6.620 86 1HB LEU 11 1HB LEU 11 -3.084 3.628 7.494 87 2HB LEU 11 2HB LEU 11 -4.453 3.857 8.559 88 HG LEU 11 HG LEU 11 -3.627 2.034 9.994 89 1HD1 LEU 11 1HD1 LEU 11 -1.241 2.072 8.157 90 2HD1 LEU 11 2HD1 LEU 11 -2.403 0.757 8.338 91 3HD1 LEU 11 3HD1 LEU 11 -1.353 1.199 9.685 92 1HD2 LEU 11 1HD2 LEU 11 -3.080 4.332 10.518 93 2HD2 LEU 11 2HD2 LEU 11 -1.667 4.261 9.464 94 3HD2 LEU 11 3HD2 LEU 11 -1.727 3.276 10.927 95 HA PRO 12 HA PRO 12 -5.777 -0.295 10.610 96 1HB PRO 12 1HB PRO 12 -8.277 0.526 11.359 97 2HB PRO 12 2HB PRO 12 -6.778 1.179 12.027 98 1HG PRO 12 1HG PRO 12 -8.538 2.293 9.886 99 2HG PRO 12 2HG PRO 12 -7.728 3.131 11.222 100 1HD PRO 12 1HD PRO 12 -6.758 3.181 8.715 101 2HD PRO 12 2HD PRO 12 -5.696 3.170 10.134 102 H ARG 13 H ARG 13 -8.055 0.693 8.072 103 HA ARG 13 HA ARG 13 -9.469 -1.837 8.279 104 1HB ARG 13 1HB ARG 13 -9.862 0.567 6.498 105 2HB ARG 13 2HB ARG 13 -10.878 -0.866 6.464 106 1HG ARG 13 1HG ARG 13 -11.562 -0.490 8.745 107 2HG ARG 13 2HG ARG 13 -10.463 0.885 8.871 108 1HD ARG 13 1HD ARG 13 -11.725 1.987 7.037 109 2HD ARG 13 2HD ARG 13 -12.880 0.653 7.088 110 HE ARG 13 HE ARG 13 -13.091 1.370 9.564 111 1HH1 ARG 13 1HH1 ARG 13 -12.676 3.493 6.820 112 2HH1 ARG 13 2HH1 ARG 13 -13.346 4.882 7.624 113 1HH2 ARG 13 1HH2 ARG 13 -14.003 3.174 10.610 114 2HH2 ARG 13 2HH2 ARG 13 -14.114 4.692 9.770 115 H ALA 14 H ALA 14 -6.598 -1.352 7.137 116 HA ALA 14 HA ALA 14 -6.954 -2.531 4.493 117 1HB ALA 14 1HB ALA 14 -4.556 -2.222 4.219 118 2HB ALA 14 2HB ALA 14 -4.409 -1.722 5.904 119 3HB ALA 14 3HB ALA 14 -5.309 -0.722 4.763 120 H VAL 15 H VAL 15 -6.108 -4.522 3.901 121 HA VAL 15 HA VAL 15 -5.449 -6.329 6.140 122 HB VAL 15 HB VAL 15 -6.419 -8.167 4.766 123 1HG1 VAL 15 1HG1 VAL 15 -7.717 -7.135 6.552 124 2HG1 VAL 15 2HG1 VAL 15 -8.760 -7.609 5.213 125 3HG1 VAL 15 3HG1 VAL 15 -8.316 -5.916 5.428 126 1HG2 VAL 15 1HG2 VAL 15 -6.237 -7.130 2.568 127 2HG2 VAL 15 2HG2 VAL 15 -7.419 -5.908 3.036 128 3HG2 VAL 15 3HG2 VAL 15 -7.904 -7.598 2.900 129 H GLY 16 H GLY 16 -4.146 -4.744 3.632 130 1HA GLY 16 1HA GLY 16 -1.816 -6.410 3.598 131 2HA GLY 16 2HA GLY 16 -2.687 -6.441 2.070 132 H SER 17 H SER 17 -0.102 -5.468 2.192 133 HA SER 17 HA SER 17 -0.546 -2.785 1.234 134 1HB SER 17 1HB SER 17 1.320 -1.874 2.704 135 2HB SER 17 2HB SER 17 -0.215 -2.194 3.515 136 HG SER 17 HG SER 17 0.769 -3.580 4.735 137 H LEU 18 H LEU 18 1.003 -2.092 -0.173 138 HA LEU 18 HA LEU 18 3.299 -3.875 -0.619 139 1HB LEU 18 1HB LEU 18 1.398 -2.612 -2.521 140 2HB LEU 18 2HB LEU 18 3.083 -2.695 -2.996 141 HG LEU 18 HG LEU 18 1.440 -5.090 -2.182 142 1HD1 LEU 18 1HD1 LEU 18 0.581 -4.118 -4.254 143 2HD1 LEU 18 2HD1 LEU 18 1.398 -5.652 -4.556 144 3HD1 LEU 18 3HD1 LEU 18 2.206 -4.132 -4.935 145 1HD2 LEU 18 1HD2 LEU 18 4.137 -4.868 -3.510 146 2HD2 LEU 18 2HD2 LEU 18 3.283 -6.363 -3.125 147 3HD2 LEU 18 3HD2 LEU 18 3.854 -5.314 -1.826 148 H THR 19 H THR 19 5.121 -2.922 -0.078 149 HA THR 19 HA THR 19 5.243 -0.005 0.050 150 HB THR 19 HB THR 19 7.275 -2.038 0.987 151 HG1 THR 19 HG1 THR 19 5.162 -2.034 2.095 152 1HG2 THR 19 1HG2 THR 19 8.210 -0.177 2.274 153 2HG2 THR 19 2HG2 THR 19 7.010 0.911 1.577 154 3HG2 THR 19 3HG2 THR 19 8.233 0.172 0.545 155 H PHE 20 H PHE 20 5.851 0.980 -1.729 156 HA PHE 20 HA PHE 20 7.867 -0.271 -3.466 157 1HB PHE 20 1HB PHE 20 5.645 1.688 -3.990 158 2HB PHE 20 2HB PHE 20 7.009 1.572 -5.090 159 HD1 PHE 20 HD1 PHE 20 6.164 0.677 -7.017 160 HD2 PHE 20 HD2 PHE 20 5.161 -1.122 -3.295 161 HE1 PHE 20 HE1 PHE 20 5.042 -1.152 -8.211 162 HE2 PHE 20 HE2 PHE 20 4.042 -2.962 -4.488 163 HZ PHE 20 HZ PHE 20 3.981 -2.968 -6.943 164 H ASP 21 H ASP 21 9.514 1.042 -4.330 165 HA ASP 21 HA ASP 21 10.406 3.142 -2.548 166 1HB ASP 21 1HB ASP 21 12.030 1.484 -3.305 167 2HB ASP 21 2HB ASP 21 11.690 1.882 -4.985 168 H GLU 22 H GLU 22 11.391 5.157 -3.672 169 HA GLU 22 HA GLU 22 9.297 6.492 -5.031 170 1HB GLU 22 1HB GLU 22 10.914 8.353 -5.194 171 2HB GLU 22 2HB GLU 22 10.776 7.708 -3.568 172 1HG GLU 22 1HG GLU 22 12.842 6.378 -4.013 173 2HG GLU 22 2HG GLU 22 13.004 7.261 -5.533 174 H ASN 23 H ASN 23 11.938 4.564 -6.089 175 HA ASN 23 HA ASN 23 11.784 5.455 -8.837 176 1HB ASN 23 1HB ASN 23 13.226 3.166 -7.488 177 2HB ASN 23 2HB ASN 23 13.275 3.445 -9.222 178 1HD2 ASN 23 1HD2 ASN 23 14.309 4.538 -6.105 179 2HD2 ASN 23 2HD2 ASN 23 15.494 5.671 -6.676 180 H TYR 24 H TYR 24 9.660 3.965 -7.009 181 HA TYR 24 HA TYR 24 7.820 2.713 -7.341 182 1HB TYR 24 1HB TYR 24 8.585 2.845 -10.268 183 2HB TYR 24 2HB TYR 24 7.022 2.327 -9.639 184 HD1 TYR 24 HD1 TYR 24 9.084 5.141 -10.541 185 HD2 TYR 24 HD2 TYR 24 5.594 3.992 -8.396 186 HE1 TYR 24 HE1 TYR 24 8.335 7.480 -10.524 187 HE2 TYR 24 HE2 TYR 24 4.832 6.331 -8.378 188 HH TYR 24 HH TYR 24 5.915 8.623 -8.532 189 H ASN 25 H ASN 25 10.445 1.546 -6.870 190 HA ASN 25 HA ASN 25 10.236 -1.100 -8.084 191 1HB ASN 25 1HB ASN 25 12.285 0.039 -6.161 192 2HB ASN 25 2HB ASN 25 12.361 -1.559 -6.891 193 1HD2 ASN 25 1HD2 ASN 25 14.196 0.725 -7.043 194 2HD2 ASN 25 2HD2 ASN 25 14.384 1.062 -8.733 195 H LEU 26 H LEU 26 9.448 -2.853 -7.015 196 HA LEU 26 HA LEU 26 8.021 -2.526 -4.602 197 1HB LEU 26 1HB LEU 26 7.331 -4.187 -6.190 198 2HB LEU 26 2HB LEU 26 8.889 -4.984 -6.120 199 HG LEU 26 HG LEU 26 8.449 -5.758 -3.868 200 1HD1 LEU 26 1HD1 LEU 26 7.218 -3.869 -3.013 201 2HD1 LEU 26 2HD1 LEU 26 6.264 -5.339 -2.808 202 3HD1 LEU 26 3HD1 LEU 26 5.878 -4.209 -4.108 203 1HD2 LEU 26 1HD2 LEU 26 7.619 -7.126 -5.709 204 2HD2 LEU 26 2HD2 LEU 26 6.095 -6.238 -5.696 205 3HD2 LEU 26 3HD2 LEU 26 6.547 -7.236 -4.312 206 H LEU 27 H LEU 27 8.734 -2.486 -2.597 207 HA LEU 27 HA LEU 27 11.415 -3.540 -2.025 208 1HB LEU 27 1HB LEU 27 9.704 -1.632 -0.427 209 2HB LEU 27 2HB LEU 27 11.333 -2.132 -0.014 210 HG LEU 27 HG LEU 27 10.574 -0.536 -2.462 211 1HD1 LEU 27 1HD1 LEU 27 11.689 1.320 -1.305 212 2HD1 LEU 27 2HD1 LEU 27 11.889 0.302 0.121 213 3HD1 LEU 27 3HD1 LEU 27 10.272 0.749 -0.425 214 1HD2 LEU 27 1HD2 LEU 27 13.275 -1.293 -1.343 215 2HD2 LEU 27 2HD2 LEU 27 12.989 -0.228 -2.720 216 3HD2 LEU 27 3HD2 LEU 27 12.546 -1.932 -2.817 217 H ASP 28 H ASP 28 8.176 -3.318 -0.558 218 HA ASP 28 HA ASP 28 8.691 -5.882 0.785 219 1HB ASP 28 1HB ASP 28 9.091 -4.119 2.421 220 2HB ASP 28 2HB ASP 28 7.525 -3.402 2.065 221 H THR 29 H THR 29 6.915 -7.191 1.132 222 HA THR 29 HA THR 29 4.333 -6.233 0.090 223 HB THR 29 HB THR 29 5.449 -9.015 -0.309 224 HG1 THR 29 HG1 THR 29 5.981 -6.738 -1.641 225 1HG2 THR 29 1HG2 THR 29 3.043 -7.621 -1.486 226 2HG2 THR 29 2HG2 THR 29 3.013 -8.917 -0.288 227 3HG2 THR 29 3HG2 THR 29 3.604 -9.235 -1.919 228 H SER 30 H SER 30 2.859 -6.300 1.690 229 HA SER 30 HA SER 30 3.144 -8.384 3.751 230 1HB SER 30 1HB SER 30 2.408 -5.478 4.185 231 2HB SER 30 2HB SER 30 2.367 -6.726 5.429 232 HG SER 30 HG SER 30 4.674 -5.914 3.963 233 H GLY 31 H GLY 31 1.243 -9.194 4.658 234 1HA GLY 31 1HA GLY 31 -1.002 -9.603 4.909 235 2HA GLY 31 2HA GLY 31 -1.318 -8.049 4.155 236 H VAL 32 H VAL 32 -3.009 -8.779 2.929 237 HA VAL 32 HA VAL 32 -2.990 -11.127 1.368 238 HB VAL 32 HB VAL 32 -4.642 -8.643 0.885 239 1HG1 VAL 32 1HG1 VAL 32 -4.720 -10.255 -0.939 240 2HG1 VAL 32 2HG1 VAL 32 -6.260 -10.199 -0.081 241 3HG1 VAL 32 3HG1 VAL 32 -5.143 -11.535 0.198 242 1HG2 VAL 32 1HG2 VAL 32 -4.848 -9.325 3.199 243 2HG2 VAL 32 2HG2 VAL 32 -5.169 -10.987 2.706 244 3HG2 VAL 32 3HG2 VAL 32 -6.327 -9.713 2.322 245 H ALA 33 H ALA 33 -1.513 -8.091 0.857 246 HA ALA 33 HA ALA 33 -1.574 -7.888 -1.940 247 1HB ALA 33 1HB ALA 33 0.290 -6.373 -1.716 248 2HB ALA 33 2HB ALA 33 0.616 -6.963 -0.087 249 3HB ALA 33 3HB ALA 33 -0.873 -6.076 -0.423 250 H LYS 34 H LYS 34 0.013 -10.124 0.069 251 HA LYS 34 HA LYS 34 2.239 -10.727 -1.600 252 1HB LYS 34 1HB LYS 34 0.861 -12.385 0.519 253 2HB LYS 34 2HB LYS 34 2.407 -12.767 -0.219 254 1HG LYS 34 1HG LYS 34 3.345 -10.691 0.686 255 2HG LYS 34 2HG LYS 34 1.795 -10.345 1.454 256 1HD LYS 34 1HD LYS 34 3.538 -12.746 1.995 257 2HD LYS 34 2HD LYS 34 3.378 -11.329 3.035 258 1HE LYS 34 1HE LYS 34 1.020 -11.816 3.364 259 2HE LYS 34 2HE LYS 34 1.135 -13.194 2.271 260 1HZ LYS 34 1HZ LYS 34 2.648 -14.261 3.799 261 2HZ LYS 34 2HZ LYS 34 1.207 -13.857 4.598 262 3HZ LYS 34 3HZ LYS 34 2.601 -12.922 4.839 263 H VAL 35 H VAL 35 -1.033 -12.044 -1.261 264 HA VAL 35 HA VAL 35 -0.496 -14.050 -3.294 265 HB VAL 35 HB VAL 35 -2.779 -14.845 -2.888 266 1HG1 VAL 35 1HG1 VAL 35 -0.986 -15.700 -1.497 267 2HG1 VAL 35 2HG1 VAL 35 -2.477 -15.567 -0.561 268 3HG1 VAL 35 3HG1 VAL 35 -1.200 -14.366 -0.365 269 1HG2 VAL 35 1HG2 VAL 35 -3.892 -12.744 -2.421 270 2HG2 VAL 35 2HG2 VAL 35 -2.955 -12.548 -0.939 271 3HG2 VAL 35 3HG2 VAL 35 -4.128 -13.860 -1.074 272 H ILE 36 H ILE 36 -1.774 -10.888 -3.088 273 HA ILE 36 HA ILE 36 -3.306 -10.963 -5.502 274 HB ILE 36 HB ILE 36 -2.169 -8.666 -3.898 275 1HG1 ILE 36 1HG1 ILE 36 -5.023 -9.605 -4.241 276 2HG1 ILE 36 2HG1 ILE 36 -3.994 -10.074 -2.895 277 1HG2 ILE 36 1HG2 ILE 36 -2.383 -8.019 -6.255 278 2HG2 ILE 36 2HG2 ILE 36 -3.549 -7.175 -5.236 279 3HG2 ILE 36 3HG2 ILE 36 -4.072 -8.530 -6.237 280 1HD1 ILE 36 1HD1 ILE 36 -3.822 -7.758 -2.200 281 2HD1 ILE 36 2HD1 ILE 36 -5.509 -8.267 -2.296 282 3HD1 ILE 36 3HD1 ILE 36 -4.817 -7.262 -3.571 283 H GLU 37 H GLU 37 -2.688 -10.521 -7.551 284 HA GLU 37 HA GLU 37 0.054 -10.851 -8.223 285 1HB GLU 37 1HB GLU 37 -0.734 -10.538 -10.558 286 2HB GLU 37 2HB GLU 37 -1.629 -11.762 -9.672 287 1HG GLU 37 1HG GLU 37 -3.403 -10.072 -9.253 288 2HG GLU 37 2HG GLU 37 -2.524 -8.962 -10.304 289 H LYS 38 H LYS 38 1.475 -9.439 -9.219 290 HA LYS 38 HA LYS 38 1.060 -6.667 -8.448 291 1HB LYS 38 1HB LYS 38 3.490 -8.206 -9.330 292 2HB LYS 38 2HB LYS 38 3.500 -6.453 -9.218 293 1HG LYS 38 1HG LYS 38 4.440 -7.540 -7.221 294 2HG LYS 38 2HG LYS 38 3.023 -6.556 -6.852 295 1HD LYS 38 1HD LYS 38 1.640 -8.475 -6.657 296 2HD LYS 38 2HD LYS 38 2.890 -9.522 -7.318 297 1HE LYS 38 1HE LYS 38 4.272 -9.111 -5.341 298 2HE LYS 38 2HE LYS 38 3.019 -8.055 -4.688 299 1HZ LYS 38 1HZ LYS 38 1.561 -9.851 -4.411 300 2HZ LYS 38 2HZ LYS 38 3.059 -10.436 -3.865 301 3HZ LYS 38 3HZ LYS 38 2.480 -10.878 -5.396 302 H SER 39 H SER 39 -0.489 -6.146 -10.001 303 HA SER 39 HA SER 39 0.077 -6.261 -12.806 304 1HB SER 39 1HB SER 39 -2.031 -4.844 -12.904 305 2HB SER 39 2HB SER 39 -2.207 -6.403 -12.099 306 HG SER 39 HG SER 39 -3.116 -4.454 -11.032 307 HA PRO 40 HA PRO 40 1.882 -2.177 -13.524 308 1HB PRO 40 1HB PRO 40 0.047 -0.655 -14.867 309 2HB PRO 40 2HB PRO 40 1.018 -1.923 -15.624 310 1HG PRO 40 1HG PRO 40 -1.799 -2.045 -14.608 311 2HG PRO 40 2HG PRO 40 -1.130 -2.676 -16.127 312 1HD PRO 40 1HD PRO 40 -1.587 -4.286 -14.044 313 2HD PRO 40 2HD PRO 40 -0.163 -4.510 -15.083 314 H ILE 41 H ILE 41 0.843 -2.376 -10.981 315 HA ILE 41 HA ILE 41 -0.867 -0.282 -10.199 316 HB ILE 41 HB ILE 41 1.264 -1.688 -8.577 317 1HG1 ILE 41 1HG1 ILE 41 -1.690 -2.278 -8.879 318 2HG1 ILE 41 2HG1 ILE 41 -0.383 -3.228 -9.578 319 1HG2 ILE 41 1HG2 ILE 41 0.548 0.382 -7.522 320 2HG2 ILE 41 2HG2 ILE 41 -0.061 -1.010 -6.629 321 3HG2 ILE 41 3HG2 ILE 41 -1.139 -0.100 -7.686 322 1HD1 ILE 41 1HD1 ILE 41 -1.248 -4.299 -7.596 323 2HD1 ILE 41 2HD1 ILE 41 -0.941 -2.845 -6.646 324 3HD1 ILE 41 3HD1 ILE 41 0.410 -3.762 -7.319 325 H ALA 42 H ALA 42 2.633 -0.477 -10.617 326 HA ALA 42 HA ALA 42 3.370 1.863 -9.271 327 1HB ALA 42 1HB ALA 42 4.967 0.157 -10.025 328 2HB ALA 42 2HB ALA 42 5.429 1.775 -10.548 329 3HB ALA 42 3HB ALA 42 4.696 0.655 -11.695 330 H GLU 43 H GLU 43 2.288 1.364 -12.587 331 HA GLU 43 HA GLU 43 2.720 3.980 -13.547 332 1HB GLU 43 1HB GLU 43 2.209 1.976 -14.958 333 2HB GLU 43 2HB GLU 43 0.551 2.037 -14.379 334 1HG GLU 43 1HG GLU 43 0.604 3.038 -16.526 335 2HG GLU 43 2HG GLU 43 0.378 4.328 -15.346 336 H ILE 44 H ILE 44 0.061 2.491 -11.797 337 HA ILE 44 HA ILE 44 -1.624 4.808 -12.007 338 HB ILE 44 HB ILE 44 -1.967 2.575 -10.012 339 1HG1 ILE 44 1HG1 ILE 44 -1.656 1.566 -12.235 340 2HG1 ILE 44 2HG1 ILE 44 -3.326 1.406 -11.703 341 1HG2 ILE 44 1HG2 ILE 44 -3.398 4.525 -9.715 342 2HG2 ILE 44 2HG2 ILE 44 -4.345 3.137 -10.254 343 3HG2 ILE 44 3HG2 ILE 44 -3.920 4.413 -11.397 344 1HD1 ILE 44 1HD1 ILE 44 -3.975 3.251 -13.142 345 2HD1 ILE 44 2HD1 ILE 44 -3.167 1.984 -14.067 346 3HD1 ILE 44 3HD1 ILE 44 -2.299 3.461 -13.647 347 H ILE 45 H ILE 45 0.739 3.556 -9.747 348 HA ILE 45 HA ILE 45 0.142 5.128 -7.504 349 HB ILE 45 HB ILE 45 2.828 4.106 -8.452 350 1HG1 ILE 45 1HG1 ILE 45 0.892 3.061 -6.371 351 2HG1 ILE 45 2HG1 ILE 45 1.231 2.326 -7.935 352 1HG2 ILE 45 1HG2 ILE 45 3.138 6.005 -6.967 353 2HG2 ILE 45 2HG2 ILE 45 3.616 4.508 -6.167 354 3HG2 ILE 45 3HG2 ILE 45 2.074 5.264 -5.770 355 1HD1 ILE 45 1HD1 ILE 45 2.372 1.154 -6.147 356 2HD1 ILE 45 2HD1 ILE 45 3.190 2.645 -5.673 357 3HD1 ILE 45 3HD1 ILE 45 3.532 1.910 -7.240 358 H ARG 46 H ARG 46 2.268 5.760 -10.276 359 HA ARG 46 HA ARG 46 3.125 8.291 -9.346 360 1HB ARG 46 1HB ARG 46 3.899 8.620 -11.686 361 2HB ARG 46 2HB ARG 46 4.489 7.150 -10.933 362 1HG ARG 46 1HG ARG 46 2.617 5.956 -12.133 363 2HG ARG 46 2HG ARG 46 2.373 7.450 -13.038 364 1HD ARG 46 1HD ARG 46 4.881 5.780 -12.938 365 2HD ARG 46 2HD ARG 46 3.783 5.954 -14.304 366 HE ARG 46 HE ARG 46 5.374 8.207 -13.235 367 1HH1 ARG 46 1HH1 ARG 46 4.015 6.375 -15.901 368 2HH1 ARG 46 2HH1 ARG 46 4.838 7.306 -17.119 369 1HH2 ARG 46 1HH2 ARG 46 6.429 9.457 -14.836 370 2HH2 ARG 46 2HH2 ARG 46 6.216 9.065 -16.518 371 H LYS 47 H LYS 47 0.557 7.295 -11.582 372 HA LYS 47 HA LYS 47 -0.355 9.852 -12.269 373 1HB LYS 47 1HB LYS 47 -1.945 7.305 -11.900 374 2HB LYS 47 2HB LYS 47 -2.563 8.765 -12.659 375 1HG LYS 47 1HG LYS 47 -0.762 8.558 -14.364 376 2HG LYS 47 2HG LYS 47 -0.332 7.005 -13.644 377 1HD LYS 47 1HD LYS 47 -2.611 6.194 -14.071 378 2HD LYS 47 2HD LYS 47 -3.010 7.738 -14.826 379 1HE LYS 47 1HE LYS 47 -1.133 7.308 -16.440 380 2HE LYS 47 2HE LYS 47 -1.027 5.680 -15.770 381 1HZ LYS 47 1HZ LYS 47 -2.394 5.668 -17.734 382 2HZ LYS 47 2HZ LYS 47 -3.388 6.887 -17.103 383 3HZ LYS 47 3HZ LYS 47 -3.370 5.352 -16.382 384 H SER 48 H SER 48 -1.245 7.747 -9.562 385 HA SER 48 HA SER 48 -3.112 9.517 -8.402 386 1HB SER 48 1HB SER 48 -1.483 7.357 -7.049 387 2HB SER 48 2HB SER 48 -2.987 8.064 -6.464 388 HG SER 48 HG SER 48 -2.603 6.447 -8.763 389 H ASN 49 H ASN 49 0.351 9.313 -8.292 390 HA ASN 49 HA ASN 49 0.772 10.743 -5.889 391 1HB ASN 49 1HB ASN 49 2.556 9.424 -6.905 392 2HB ASN 49 2HB ASN 49 2.544 10.467 -8.327 393 1HD2 ASN 49 1HD2 ASN 49 3.601 12.390 -8.277 394 2HD2 ASN 49 2HD2 ASN 49 4.559 12.921 -6.934 395 H ALA 50 H ALA 50 0.287 11.698 -9.223 396 HA ALA 50 HA ALA 50 0.655 14.504 -8.683 397 1HB ALA 50 1HB ALA 50 -0.056 14.844 -10.974 398 2HB ALA 50 2HB ALA 50 -0.591 13.167 -11.083 399 3HB ALA 50 3HB ALA 50 1.123 13.535 -10.897 400 H GLU 51 H GLU 51 -2.047 12.277 -9.003 401 HA GLU 51 HA GLU 51 -4.168 14.091 -9.074 402 1HB GLU 51 1HB GLU 51 -3.986 11.277 -8.004 403 2HB GLU 51 2HB GLU 51 -5.498 12.167 -8.087 404 1HG GLU 51 1HG GLU 51 -3.756 11.596 -10.467 405 2HG GLU 51 2HG GLU 51 -5.103 10.578 -9.959 406 H LEU 52 H LEU 52 -2.492 12.646 -6.319 407 HA LEU 52 HA LEU 52 -4.021 14.414 -4.538 408 1HB LEU 52 1HB LEU 52 -4.117 12.538 -2.894 409 2HB LEU 52 2HB LEU 52 -5.100 12.315 -4.328 410 HG LEU 52 HG LEU 52 -3.143 10.920 -5.232 411 1HD1 LEU 52 1HD1 LEU 52 -2.452 10.814 -2.301 412 2HD1 LEU 52 2HD1 LEU 52 -1.499 11.622 -3.545 413 3HD1 LEU 52 3HD1 LEU 52 -1.712 9.870 -3.595 414 1HD2 LEU 52 1HD2 LEU 52 -4.739 9.933 -2.885 415 2HD2 LEU 52 2HD2 LEU 52 -3.962 8.929 -4.112 416 3HD2 LEU 52 3HD2 LEU 52 -5.288 10.006 -4.558 417 H GLY 53 H GLY 53 -3.062 14.404 -2.280 418 1HA GLY 53 1HA GLY 53 -0.124 14.393 -2.468 419 2HA GLY 53 2HA GLY 53 -1.055 15.386 -1.356 420 H ARG 54 H ARG 54 -2.558 13.970 0.107 421 HA ARG 54 HA ARG 54 -0.856 11.817 1.183 422 1HB ARG 54 1HB ARG 54 -0.891 13.949 2.484 423 2HB ARG 54 2HB ARG 54 -2.611 13.715 2.747 424 1HG ARG 54 1HG ARG 54 -1.201 13.057 4.662 425 2HG ARG 54 2HG ARG 54 -2.199 11.742 4.040 426 1HD ARG 54 1HD ARG 54 0.073 10.989 4.542 427 2HD ARG 54 2HD ARG 54 -0.304 10.848 2.828 428 HE ARG 54 HE ARG 54 0.932 13.154 2.769 429 1HH1 ARG 54 1HH1 ARG 54 1.728 10.395 4.751 430 2HH1 ARG 54 2HH1 ARG 54 3.440 10.672 4.696 431 1HH2 ARG 54 1HH2 ARG 54 3.192 13.504 2.628 432 2HH2 ARG 54 2HH2 ARG 54 4.277 12.443 3.482 433 H LEU 55 H LEU 55 -3.506 12.069 -0.513 434 HA LEU 55 HA LEU 55 -5.251 10.401 1.116 435 1HB LEU 55 1HB LEU 55 -5.600 11.555 -1.651 436 2HB LEU 55 2HB LEU 55 -6.764 10.477 -0.902 437 HG LEU 55 HG LEU 55 -7.610 12.668 -0.640 438 1HD1 LEU 55 1HD1 LEU 55 -7.646 12.982 1.788 439 2HD1 LEU 55 2HD1 LEU 55 -6.306 11.845 1.946 440 3HD1 LEU 55 3HD1 LEU 55 -7.863 11.292 1.329 441 1HD2 LEU 55 1HD2 LEU 55 -6.346 14.502 0.388 442 2HD2 LEU 55 2HD2 LEU 55 -5.597 13.940 -1.105 443 3HD2 LEU 55 3HD2 LEU 55 -4.916 13.471 0.453 444 H GLY 56 H GLY 56 -6.288 8.490 -0.112 445 1HA GLY 56 1HA GLY 56 -4.136 6.998 -1.478 446 2HA GLY 56 2HA GLY 56 -5.303 6.257 -0.391 447 H TYR 57 H TYR 57 -4.608 7.211 -3.571 448 HA TYR 57 HA TYR 57 -7.282 7.131 -4.624 449 1HB TYR 57 1HB TYR 57 -5.263 8.372 -5.589 450 2HB TYR 57 2HB TYR 57 -4.690 6.811 -6.148 451 HD1 TYR 57 HD1 TYR 57 -5.662 5.760 -8.079 452 HD2 TYR 57 HD2 TYR 57 -7.280 9.386 -6.556 453 HE1 TYR 57 HE1 TYR 57 -6.940 6.056 -10.158 454 HE2 TYR 57 HE2 TYR 57 -8.569 9.691 -8.625 455 HH TYR 57 HH TYR 57 -8.377 8.953 -11.031 456 H SER 58 H SER 58 -8.331 5.390 -5.522 457 HA SER 58 HA SER 58 -7.368 2.793 -4.813 458 1HB SER 58 1HB SER 58 -9.732 3.547 -6.549 459 2HB SER 58 2HB SER 58 -9.454 1.984 -5.781 460 HG SER 58 HG SER 58 -10.060 4.469 -4.574 461 H VAL 59 H VAL 59 -5.801 1.833 -5.893 462 HA VAL 59 HA VAL 59 -5.434 2.462 -8.727 463 HB VAL 59 HB VAL 59 -3.170 1.591 -8.490 464 1HG1 VAL 59 1HG1 VAL 59 -3.597 3.936 -7.942 465 2HG1 VAL 59 2HG1 VAL 59 -2.279 3.274 -6.976 466 3HG1 VAL 59 3HG1 VAL 59 -3.875 3.490 -6.258 467 1HG2 VAL 59 1HG2 VAL 59 -3.930 1.017 -5.625 468 2HG2 VAL 59 2HG2 VAL 59 -2.299 0.921 -6.286 469 3HG2 VAL 59 3HG2 VAL 59 -3.550 -0.177 -6.868 470 H TYR 60 H TYR 60 -6.019 -0.222 -6.549 471 HA TYR 60 HA TYR 60 -6.302 -1.981 -8.892 472 1HB TYR 60 1HB TYR 60 -4.175 -2.498 -7.780 473 2HB TYR 60 2HB TYR 60 -5.010 -2.702 -6.248 474 HD1 TYR 60 HD1 TYR 60 -6.292 -4.712 -5.788 475 HD2 TYR 60 HD2 TYR 60 -4.334 -4.196 -9.532 476 HE1 TYR 60 HE1 TYR 60 -6.601 -7.101 -6.273 477 HE2 TYR 60 HE2 TYR 60 -4.643 -6.586 -10.028 478 HH TYR 60 HH TYR 60 -6.754 -8.562 -8.354 479 H GLU 61 H GLU 61 -8.511 -2.107 -8.954 480 HA GLU 61 HA GLU 61 -9.833 -2.967 -6.475 481 1HB GLU 61 1HB GLU 61 -10.914 -1.063 -7.539 482 2HB GLU 61 2HB GLU 61 -11.065 -1.956 -9.049 483 1HG GLU 61 1HG GLU 61 -12.556 -3.546 -7.970 484 2HG GLU 61 2HG GLU 61 -12.370 -2.701 -6.438 485 H ASP 62 H ASP 62 -10.026 -5.034 -6.210 486 HA ASP 62 HA ASP 62 -10.346 -6.784 -8.556 487 1HB ASP 62 1HB ASP 62 -8.291 -7.071 -7.030 488 2HB ASP 62 2HB ASP 62 -9.419 -7.622 -5.798 489 H ALA 63 H ALA 63 -11.684 -8.811 -7.896 490 HA ALA 63 HA ALA 63 -14.178 -7.903 -6.875 491 1HB ALA 63 1HB ALA 63 -14.928 -10.201 -7.201 492 2HB ALA 63 2HB ALA 63 -13.260 -10.722 -7.436 493 3HB ALA 63 3HB ALA 63 -14.019 -9.639 -8.603 494 H GLN 64 H GLN 64 -11.354 -9.038 -5.450 495 HA GLN 64 HA GLN 64 -12.699 -9.940 -3.008 496 1HB GLN 64 1HB GLN 64 -9.762 -10.007 -3.704 497 2HB GLN 64 2HB GLN 64 -10.543 -10.819 -2.354 498 1HG GLN 64 1HG GLN 64 -11.653 -12.333 -3.801 499 2HG GLN 64 2HG GLN 64 -11.177 -11.411 -5.229 500 1HE2 GLN 64 1HE2 GLN 64 -9.026 -11.454 -5.897 501 2HE2 GLN 64 2HE2 GLN 64 -7.947 -12.725 -5.420 502 H TYR 65 H TYR 65 -10.048 -7.736 -3.988 503 HA TYR 65 HA TYR 65 -10.566 -6.140 -1.577 504 1HB TYR 65 1HB TYR 65 -7.810 -7.031 -2.453 505 2HB TYR 65 2HB TYR 65 -8.192 -6.045 -1.048 506 HD1 TYR 65 HD1 TYR 65 -7.943 -9.399 -2.370 507 HD2 TYR 65 HD2 TYR 65 -9.406 -7.081 0.879 508 HE1 TYR 65 HE1 TYR 65 -8.151 -11.442 -1.019 509 HE2 TYR 65 HE2 TYR 65 -9.611 -9.116 2.242 510 HH TYR 65 HH TYR 65 -8.153 -11.996 1.496 511 H ILE 66 H ILE 66 -9.415 -4.028 -1.635 512 HA ILE 66 HA ILE 66 -8.891 -3.073 -4.364 513 HB ILE 66 HB ILE 66 -10.528 -1.620 -2.280 514 1HG1 ILE 66 1HG1 ILE 66 -11.307 -2.701 -4.996 515 2HG1 ILE 66 2HG1 ILE 66 -11.746 -3.415 -3.448 516 1HG2 ILE 66 1HG2 ILE 66 -9.683 -0.752 -5.044 517 2HG2 ILE 66 2HG2 ILE 66 -9.117 -0.075 -3.517 518 3HG2 ILE 66 3HG2 ILE 66 -10.803 0.119 -3.996 519 1HD1 ILE 66 1HD1 ILE 66 -12.578 -0.698 -4.436 520 2HD1 ILE 66 2HD1 ILE 66 -13.027 -1.419 -2.891 521 3HD1 ILE 66 3HD1 ILE 66 -13.583 -2.146 -4.398 522 H GLY 67 H GLY 67 -7.009 -2.106 -4.523 523 1HA GLY 67 1HA GLY 67 -5.570 -1.379 -2.066 524 2HA GLY 67 2HA GLY 67 -4.843 -1.672 -3.637 525 H HIS 68 H HIS 68 -4.661 0.609 -1.733 526 HA HIS 68 HA HIS 68 -5.453 2.753 -3.594 527 1HB HIS 68 1HB HIS 68 -5.397 3.072 -0.585 528 2HB HIS 68 2HB HIS 68 -6.055 4.187 -1.773 529 HD1 HIS 68 HD1 HIS 68 -8.422 3.610 -2.755 530 HD2 HIS 68 HD2 HIS 68 -7.095 1.036 0.229 531 HE1 HIS 68 HE1 HIS 68 -10.445 2.294 -2.046 532 HE2 HIS 68 HE2 HIS 68 -9.652 0.872 -0.123 533 H ALA 69 H ALA 69 -3.834 4.167 -4.103 534 HA ALA 69 HA ALA 69 -1.186 3.607 -3.059 535 1HB ALA 69 1HB ALA 69 -2.079 5.626 -5.107 536 2HB ALA 69 2HB ALA 69 -1.435 4.017 -5.439 537 3HB ALA 69 3HB ALA 69 -0.406 5.247 -4.703 538 H PHE 70 H PHE 70 -0.290 4.590 -1.407 539 HA PHE 70 HA PHE 70 -1.214 7.295 -0.706 540 1HB PHE 70 1HB PHE 70 -0.328 5.014 1.046 541 2HB PHE 70 2HB PHE 70 -0.359 6.677 1.622 542 HD1 PHE 70 HD1 PHE 70 -2.409 3.859 0.470 543 HD2 PHE 70 HD2 PHE 70 -2.402 7.781 2.111 544 HE1 PHE 70 HE1 PHE 70 -4.794 3.629 1.016 545 HE2 PHE 70 HE2 PHE 70 -4.788 7.558 2.662 546 HZ PHE 70 HZ PHE 70 -5.985 5.479 2.113 547 H LYS 71 H LYS 71 0.263 8.850 -0.392 548 HA LYS 71 HA LYS 71 3.019 8.327 -1.080 549 1HB LYS 71 1HB LYS 71 1.377 10.756 -0.547 550 2HB LYS 71 2HB LYS 71 3.110 10.878 -0.276 551 1HG LYS 71 1HG LYS 71 2.769 11.652 -2.456 552 2HG LYS 71 2HG LYS 71 3.387 10.014 -2.652 553 1HD LYS 71 1HD LYS 71 0.436 10.461 -2.575 554 2HD LYS 71 2HD LYS 71 1.327 10.855 -4.044 555 1HE LYS 71 1HE LYS 71 2.153 8.585 -4.189 556 2HE LYS 71 2HE LYS 71 1.383 8.178 -2.656 557 1HZ LYS 71 1HZ LYS 71 0.103 7.431 -4.590 558 2HZ LYS 71 2HZ LYS 71 -0.065 9.035 -5.102 559 3HZ LYS 71 3HZ LYS 71 -0.766 8.534 -3.644 560 H LYS 72 H LYS 72 4.627 7.962 0.314 561 HA LYS 72 HA LYS 72 4.067 8.303 3.190 562 1HB LYS 72 1HB LYS 72 5.762 6.151 1.903 563 2HB LYS 72 2HB LYS 72 5.367 6.293 3.610 564 1HG LYS 72 1HG LYS 72 3.331 5.853 1.443 565 2HG LYS 72 2HG LYS 72 4.073 4.561 2.386 566 1HD LYS 72 1HD LYS 72 2.469 6.845 3.532 567 2HD LYS 72 2HD LYS 72 1.858 5.217 3.245 568 1HE LYS 72 1HE LYS 72 3.652 4.363 4.765 569 2HE LYS 72 2HE LYS 72 4.040 6.040 5.152 570 1HZ LYS 72 1HZ LYS 72 1.725 6.311 5.914 571 2HZ LYS 72 2HZ LYS 72 2.577 5.155 6.816 572 3HZ LYS 72 3HZ LYS 72 1.461 4.658 5.645 573 H ALA 73 H ALA 73 6.480 7.890 4.287 574 HA ALA 73 HA ALA 73 7.817 10.326 3.735 575 1HB ALA 73 1HB ALA 73 8.733 7.984 5.399 576 2HB ALA 73 2HB ALA 73 7.786 9.360 5.967 577 3HB ALA 73 3HB ALA 73 9.443 9.597 5.412 578 H GLY 74 H GLY 74 8.540 10.413 1.665 579 1HA GLY 74 1HA GLY 74 10.125 10.233 0.016 580 2HA GLY 74 2HA GLY 74 11.107 9.308 1.140 581 H HIS 75 H HIS 75 7.988 8.018 0.704 582 HA HIS 75 HA HIS 75 8.868 6.187 -1.381 583 1HB HIS 75 1HB HIS 75 8.473 5.428 1.483 584 2HB HIS 75 2HB HIS 75 8.071 4.267 0.220 585 HD1 HIS 75 HD1 HIS 75 10.641 4.552 2.406 586 HD2 HIS 75 HD2 HIS 75 10.598 4.695 -1.750 587 HE1 HIS 75 HE1 HIS 75 12.956 3.872 1.670 588 HE2 HIS 75 HE2 HIS 75 12.912 3.998 -0.852 589 H PHE 76 H PHE 76 7.094 4.449 -1.711 590 HA PHE 76 HA PHE 76 4.457 5.749 -1.532 591 1HB PHE 76 1HB PHE 76 5.618 4.215 -3.870 592 2HB PHE 76 2HB PHE 76 3.970 4.838 -3.783 593 HD1 PHE 76 HD1 PHE 76 3.853 7.447 -3.243 594 HD2 PHE 76 HD2 PHE 76 7.167 5.443 -5.006 595 HE1 PHE 76 HE1 PHE 76 4.613 9.571 -4.220 596 HE2 PHE 76 HE2 PHE 76 7.935 7.566 -5.986 597 HZ PHE 76 HZ PHE 76 6.654 9.632 -5.595 598 H ILE 77 H ILE 77 2.917 4.464 -0.634 599 HA ILE 77 HA ILE 77 3.399 1.563 -0.732 600 HB ILE 77 HB ILE 77 2.419 3.103 1.677 601 1HG1 ILE 77 1HG1 ILE 77 4.945 1.517 1.168 602 2HG1 ILE 77 2HG1 ILE 77 4.827 3.257 1.393 603 1HG2 ILE 77 1HG2 ILE 77 1.226 0.991 1.469 604 2HG2 ILE 77 2HG2 ILE 77 2.362 0.929 2.818 605 3HG2 ILE 77 3HG2 ILE 77 2.755 0.126 1.296 606 1HD1 ILE 77 1HD1 ILE 77 5.668 2.160 3.392 607 2HD1 ILE 77 2HD1 ILE 77 4.207 1.174 3.475 608 3HD1 ILE 77 3HD1 ILE 77 4.106 2.920 3.694 609 H VAL 78 H VAL 78 1.713 0.342 -1.260 610 HA VAL 78 HA VAL 78 -0.864 1.687 -1.705 611 HB VAL 78 HB VAL 78 0.145 -0.925 -2.852 612 1HG1 VAL 78 1HG1 VAL 78 -1.788 -0.781 -4.342 613 2HG1 VAL 78 2HG1 VAL 78 -2.324 0.679 -3.510 614 3HG1 VAL 78 3HG1 VAL 78 -2.286 -0.862 -2.651 615 1HG2 VAL 78 1HG2 VAL 78 0.341 0.301 -4.963 616 2HG2 VAL 78 2HG2 VAL 78 1.396 0.972 -3.720 617 3HG2 VAL 78 3HG2 VAL 78 -0.108 1.791 -4.136 618 H TYR 79 H TYR 79 -2.264 1.389 -0.110 619 HA TYR 79 HA TYR 79 -2.090 -0.967 1.583 620 1HB TYR 79 1HB TYR 79 -3.768 1.541 1.744 621 2HB TYR 79 2HB TYR 79 -3.883 0.214 2.886 622 HD1 TYR 79 HD1 TYR 79 -2.564 0.240 4.804 623 HD2 TYR 79 HD2 TYR 79 -1.393 2.603 1.466 624 HE1 TYR 79 HE1 TYR 79 -0.762 1.241 6.144 625 HE2 TYR 79 HE2 TYR 79 0.414 3.592 2.794 626 HH TYR 79 HH TYR 79 1.481 2.348 5.699 627 H PHE 80 H PHE 80 -3.272 -2.711 1.217 628 HA PHE 80 HA PHE 80 -5.505 -2.553 -0.656 629 1HB PHE 80 1HB PHE 80 -3.868 -4.847 0.413 630 2HB PHE 80 2HB PHE 80 -5.330 -5.087 -0.531 631 HD1 PHE 80 HD1 PHE 80 -1.867 -3.889 -0.606 632 HD2 PHE 80 HD2 PHE 80 -5.372 -4.671 -2.889 633 HE1 PHE 80 HE1 PHE 80 -0.560 -3.679 -2.680 634 HE2 PHE 80 HE2 PHE 80 -4.070 -4.464 -4.965 635 HZ PHE 80 HZ PHE 80 -1.661 -3.967 -4.862 636 H THR 81 H THR 81 -7.475 -2.420 0.094 637 HA THR 81 HA THR 81 -8.058 -3.383 2.818 638 HB THR 81 HB THR 81 -9.977 -1.805 2.757 639 HG1 THR 81 HG1 THR 81 -9.100 -1.542 0.140 640 1HG2 THR 81 1HG2 THR 81 -7.853 -1.097 3.744 641 2HG2 THR 81 2HG2 THR 81 -8.675 0.255 2.964 642 3HG2 THR 81 3HG2 THR 81 -7.307 -0.526 2.168 643 HA PRO 82 HA PRO 82 -10.976 -6.276 1.064 644 1HB PRO 82 1HB PRO 82 -12.871 -6.389 2.993 645 2HB PRO 82 2HB PRO 82 -11.269 -7.108 3.188 646 1HG PRO 82 1HG PRO 82 -12.309 -4.495 4.213 647 2HG PRO 82 2HG PRO 82 -11.306 -5.701 5.041 648 1HD PRO 82 1HD PRO 82 -10.290 -3.434 3.939 649 2HD PRO 82 2HD PRO 82 -9.370 -4.948 4.055 650 H LYS 83 H LYS 83 -11.299 -4.227 -0.414 651 HA LYS 83 HA LYS 83 -12.681 -2.991 -1.703 652 1HB LYS 83 1HB LYS 83 -14.363 -5.193 -0.739 653 2HB LYS 83 2HB LYS 83 -15.265 -3.781 -1.279 654 1HG LYS 83 1HG LYS 83 -14.287 -3.875 -3.438 655 2HG LYS 83 2HG LYS 83 -13.109 -5.080 -2.920 656 1HD LYS 83 1HD LYS 83 -14.784 -6.754 -2.722 657 2HD LYS 83 2HD LYS 83 -16.080 -5.568 -2.909 658 1HE LYS 83 1HE LYS 83 -14.040 -5.933 -5.069 659 2HE LYS 83 2HE LYS 83 -15.393 -7.058 -4.925 660 1HZ LYS 83 1HZ LYS 83 -16.923 -5.234 -5.155 661 2HZ LYS 83 2HZ LYS 83 -15.848 -5.232 -6.466 662 3HZ LYS 83 3HZ LYS 83 -15.654 -4.108 -5.208 663 H ASN 84 H ASN 84 -11.966 -1.954 0.804 664 HA ASN 84 HA ASN 84 -14.306 -0.531 1.777 665 1HB ASN 84 1HB ASN 84 -12.728 -1.286 3.455 666 2HB ASN 84 2HB ASN 84 -11.405 -0.464 2.635 667 1HD2 ASN 84 1HD2 ASN 84 -11.197 1.763 2.828 668 2HD2 ASN 84 2HD2 ASN 84 -12.073 2.674 4.005 669 H LYS 85 H LYS 85 -14.955 0.974 0.338 670 HA LYS 85 HA LYS 85 -13.010 3.110 -0.220 671 1HB LYS 85 1HB LYS 85 -15.261 2.166 -2.007 672 2HB LYS 85 2HB LYS 85 -14.344 3.644 -2.272 673 1HG LYS 85 1HG LYS 85 -12.278 2.246 -2.392 674 2HG LYS 85 2HG LYS 85 -13.313 0.819 -2.335 675 1HD LYS 85 1HD LYS 85 -13.402 2.986 -4.435 676 2HD LYS 85 2HD LYS 85 -12.679 1.389 -4.633 677 1HE LYS 85 1HE LYS 85 -14.914 0.393 -4.174 678 2HE LYS 85 2HE LYS 85 -15.588 2.023 -4.155 679 1HZ LYS 85 1HZ LYS 85 -14.270 0.669 -6.452 680 2HZ LYS 85 2HZ LYS 85 -14.756 2.297 -6.453 681 3HZ LYS 85 3HZ LYS 85 -15.913 1.065 -6.307 682 H ASN 86 H ASN 86 -16.488 2.401 0.052 683 HA ASN 86 HA ASN 86 -16.745 4.495 2.014 684 1HB ASN 86 1HB ASN 86 -17.008 5.776 -0.080 685 2HB ASN 86 2HB ASN 86 -18.315 4.697 -0.566 686 1HD2 ASN 86 1HD2 ASN 86 -17.344 7.209 1.639 687 2HD2 ASN 86 2HD2 ASN 86 -18.938 7.633 2.174 688 H ARG 87 H ARG 87 -17.557 3.161 3.495 689 HA ARG 87 HA ARG 87 -20.212 2.056 2.988 690 1HB ARG 87 1HB ARG 87 -18.537 0.225 2.617 691 2HB ARG 87 2HB ARG 87 -18.008 0.433 4.280 692 1HG ARG 87 1HG ARG 87 -20.259 -0.167 5.058 693 2HG ARG 87 2HG ARG 87 -20.758 -0.412 3.383 694 1HD ARG 87 1HD ARG 87 -18.976 -2.127 3.161 695 2HD ARG 87 2HD ARG 87 -18.628 -1.933 4.878 696 HE ARG 87 HE ARG 87 -21.384 -2.541 4.382 697 1HH1 ARG 87 1HH1 ARG 87 -18.187 -3.929 4.757 698 2HH1 ARG 87 2HH1 ARG 87 -18.788 -5.506 5.169 699 1HH2 ARG 87 1HH2 ARG 87 -22.170 -4.614 4.920 700 2HH2 ARG 87 2HH2 ARG 87 -21.047 -5.900 5.257 701 H GLU 88 H GLU 88 -17.750 1.923 5.547 702 HA GLU 88 HA GLU 88 -19.522 3.518 7.263 703 1HB GLU 88 1HB GLU 88 -17.881 1.125 8.137 704 2HB GLU 88 2HB GLU 88 -18.832 2.157 9.196 705 1HG GLU 88 1HG GLU 88 -20.873 1.455 8.054 706 2HG GLU 88 2HG GLU 88 -19.921 0.429 6.984 707 H GLY 89 H GLY 89 -18.444 4.930 8.687 708 1HA GLY 89 1HA GLY 89 -16.277 5.624 9.664 709 2HA GLY 89 2HA GLY 89 -15.559 5.253 8.104 710 H VAL 90 H VAL 90 -14.734 7.325 7.778 711 HA VAL 90 HA VAL 90 -16.794 9.397 7.345 712 HB VAL 90 HB VAL 90 -15.153 11.116 7.812 713 1HG1 VAL 90 1HG1 VAL 90 -16.429 10.283 9.695 714 2HG1 VAL 90 2HG1 VAL 90 -14.800 10.728 10.207 715 3HG1 VAL 90 3HG1 VAL 90 -15.223 9.030 9.984 716 1HG2 VAL 90 1HG2 VAL 90 -13.219 8.861 8.327 717 2HG2 VAL 90 2HG2 VAL 90 -12.916 10.563 8.678 718 3HG2 VAL 90 3HG2 VAL 90 -13.144 10.033 7.011 719 H VAL 91 H VAL 91 -16.276 10.979 5.659 720 HA VAL 91 HA VAL 91 -15.035 9.687 3.357 721 HB VAL 91 HB VAL 91 -15.978 11.563 2.044 722 1HG1 VAL 91 1HG1 VAL 91 -18.313 10.916 2.237 723 2HG1 VAL 91 2HG1 VAL 91 -18.002 10.207 3.822 724 3HG1 VAL 91 3HG1 VAL 91 -17.266 9.505 2.381 725 1HG2 VAL 91 1HG2 VAL 91 -17.157 12.441 4.679 726 2HG2 VAL 91 2HG2 VAL 91 -17.541 13.122 3.099 727 3HG2 VAL 91 3HG2 VAL 91 -15.916 13.293 3.761 728 HA PRO 92 HA PRO 92 -11.278 12.054 3.336 729 1HB PRO 92 1HB PRO 92 -11.186 12.765 0.663 730 2HB PRO 92 2HB PRO 92 -10.633 11.223 1.317 731 1HG PRO 92 1HG PRO 92 -13.217 11.901 -0.014 732 2HG PRO 92 2HG PRO 92 -12.224 10.438 -0.159 733 1HD PRO 92 1HD PRO 92 -14.452 10.474 1.328 734 2HD PRO 92 2HD PRO 92 -13.020 9.548 1.825 735 HA PRO 93 HA PRO 93 -12.325 16.367 3.672 736 1HB PRO 93 1HB PRO 93 -9.542 16.863 2.784 737 2HB PRO 93 2HB PRO 93 -10.359 17.379 4.263 738 1HG PRO 93 1HG PRO 93 -8.527 15.438 4.314 739 2HG PRO 93 2HG PRO 93 -9.974 15.362 5.337 740 1HD PRO 93 1HD PRO 93 -9.383 13.923 2.779 741 2HD PRO 93 2HD PRO 93 -10.188 13.329 4.248 742 H VAL 94 H VAL 94 -13.188 17.798 2.290 743 HA VAL 94 HA VAL 94 -12.680 17.433 -0.568 744 HB VAL 94 HB VAL 94 -15.028 17.511 0.254 745 1HG1 VAL 94 1HG1 VAL 94 -14.415 20.396 0.877 746 2HG1 VAL 94 2HG1 VAL 94 -14.769 19.127 2.049 747 3HG1 VAL 94 3HG1 VAL 94 -16.014 19.651 0.915 748 1HG2 VAL 94 1HG2 VAL 94 -15.879 18.998 -1.475 749 2HG2 VAL 94 2HG2 VAL 94 -14.496 18.077 -2.064 750 3HG2 VAL 94 3HG2 VAL 94 -14.299 19.769 -1.607 751 H GLY 95 H GLY 95 -11.972 19.550 2.033 752 1HA GLY 95 1HA GLY 95 -10.909 21.562 0.164 753 2HA GLY 95 2HA GLY 95 -11.250 21.841 1.867 754 H ILE 96 H ILE 96 -9.266 22.522 2.472 755 HA ILE 96 HA ILE 96 -7.152 22.385 3.254 756 HB ILE 96 HB ILE 96 -7.421 19.401 2.863 757 1HG1 ILE 96 1HG1 ILE 96 -9.143 20.284 4.364 758 2HG1 ILE 96 2HG1 ILE 96 -7.955 19.354 5.271 759 1HG2 ILE 96 1HG2 ILE 96 -5.094 20.099 3.061 760 2HG2 ILE 96 2HG2 ILE 96 -5.612 19.234 4.508 761 3HG2 ILE 96 3HG2 ILE 96 -5.476 20.992 4.534 762 1HD1 ILE 96 1HD1 ILE 96 -8.583 21.360 6.467 763 2HD1 ILE 96 2HD1 ILE 96 -8.105 22.357 5.092 764 3HD1 ILE 96 3HD1 ILE 96 -6.888 21.441 5.984 765 H THR 97 H THR 97 -6.170 23.487 1.664 766 HA THR 97 HA THR 97 -4.718 23.944 0.010 767 HB THR 97 HB THR 97 -2.838 22.339 -0.349 768 HG1 THR 97 HG1 THR 97 -4.562 20.605 0.720 769 1HG2 THR 97 1HG2 THR 97 -1.931 22.562 1.924 770 2HG2 THR 97 2HG2 THR 97 -3.540 22.972 2.519 771 3HG2 THR 97 3HG2 THR 97 -2.718 24.046 1.386 772 H ASN 98 H ASN 98 -6.663 23.814 -1.391 773 HA ASN 98 HA ASN 98 -5.996 22.073 -3.652 774 1HB ASN 98 1HB ASN 98 -7.931 21.044 -2.483 775 2HB ASN 98 2HB ASN 98 -8.828 22.545 -2.686 776 1HD2 ASN 98 1HD2 ASN 98 -10.434 21.622 -3.925 777 2HD2 ASN 98 2HD2 ASN 98 -10.163 21.086 -5.550 Start of MODEL 9 1 H MET 1 H MET 1 -10.718 14.737 -8.973 2 HA MET 1 HA MET 1 -12.798 13.593 -8.428 3 1HB MET 1 1HB MET 1 -10.406 12.545 -8.665 4 2HB MET 1 2HB MET 1 -10.552 12.261 -6.937 5 1HG MET 1 1HG MET 1 -12.819 11.379 -8.608 6 2HG MET 1 2HG MET 1 -11.306 10.496 -8.799 7 1HE MET 1 1HE MET 1 -10.639 9.121 -5.240 8 2HE MET 1 2HE MET 1 -9.988 10.572 -6.001 9 3HE MET 1 3HE MET 1 -10.156 9.085 -6.936 10 H LYS 2 H LYS 2 -13.681 12.143 -6.509 11 HA LYS 2 HA LYS 2 -13.944 14.039 -4.272 12 1HB LYS 2 1HB LYS 2 -15.951 11.996 -5.233 13 2HB LYS 2 2HB LYS 2 -16.187 13.134 -3.916 14 1HG LYS 2 1HG LYS 2 -15.782 13.845 -6.809 15 2HG LYS 2 2HG LYS 2 -17.314 13.866 -5.935 16 1HD LYS 2 1HD LYS 2 -14.904 15.537 -5.244 17 2HD LYS 2 2HD LYS 2 -16.294 16.109 -6.167 18 1HE LYS 2 1HE LYS 2 -17.735 15.556 -4.216 19 2HE LYS 2 2HE LYS 2 -16.281 15.146 -3.307 20 1HZ LYS 2 1HZ LYS 2 -16.877 17.372 -2.768 21 2HZ LYS 2 2HZ LYS 2 -17.025 17.802 -4.400 22 3HZ LYS 2 3HZ LYS 2 -15.500 17.455 -3.755 23 H SER 3 H SER 3 -14.246 10.514 -4.856 24 HA SER 3 HA SER 3 -14.113 9.968 -2.056 25 1HB SER 3 1HB SER 3 -14.043 7.553 -2.884 26 2HB SER 3 2HB SER 3 -15.464 8.502 -3.326 27 HG SER 3 HG SER 3 -13.185 8.151 -4.986 28 H SER 4 H SER 4 -12.091 10.949 -1.534 29 HA SER 4 HA SER 4 -9.834 9.133 -2.055 30 1HB SER 4 1HB SER 4 -9.668 12.124 -1.602 31 2HB SER 4 2HB SER 4 -8.315 11.037 -1.916 32 HG SER 4 HG SER 4 -10.431 11.099 -3.742 33 H ILE 5 H ILE 5 -9.577 7.987 -0.263 34 HA ILE 5 HA ILE 5 -10.445 9.077 2.297 35 HB ILE 5 HB ILE 5 -9.480 6.276 1.709 36 1HG1 ILE 5 1HG1 ILE 5 -12.326 7.310 1.714 37 2HG1 ILE 5 2HG1 ILE 5 -11.413 6.873 0.273 38 1HG2 ILE 5 1HG2 ILE 5 -10.799 5.716 3.724 39 2HG2 ILE 5 2HG2 ILE 5 -11.122 7.435 3.955 40 3HG2 ILE 5 3HG2 ILE 5 -9.470 6.826 4.058 41 1HD1 ILE 5 1HD1 ILE 5 -11.267 4.569 1.078 42 2HD1 ILE 5 2HD1 ILE 5 -12.938 5.101 0.899 43 3HD1 ILE 5 3HD1 ILE 5 -12.207 5.013 2.503 44 HA PRO 6 HA PRO 6 -6.235 9.916 3.516 45 1HB PRO 6 1HB PRO 6 -6.689 10.171 6.196 46 2HB PRO 6 2HB PRO 6 -7.024 11.441 5.017 47 1HG PRO 6 1HG PRO 6 -8.896 9.493 6.292 48 2HG PRO 6 2HG PRO 6 -9.140 11.212 5.934 49 1HD PRO 6 1HD PRO 6 -10.170 9.236 4.395 50 2HD PRO 6 2HD PRO 6 -9.675 10.806 3.732 51 H ILE 7 H ILE 7 -4.535 8.942 4.647 52 HA ILE 7 HA ILE 7 -4.620 6.136 4.658 53 HB ILE 7 HB ILE 7 -2.567 7.353 4.187 54 1HG1 ILE 7 1HG1 ILE 7 -1.005 6.023 5.565 55 2HG1 ILE 7 2HG1 ILE 7 -2.330 5.611 6.651 56 1HG2 ILE 7 1HG2 ILE 7 -2.562 8.111 7.100 57 2HG2 ILE 7 2HG2 ILE 7 -2.870 9.201 5.748 58 3HG2 ILE 7 3HG2 ILE 7 -1.284 8.452 5.932 59 1HD1 ILE 7 1HD1 ILE 7 -3.460 4.457 4.823 60 2HD1 ILE 7 2HD1 ILE 7 -1.850 3.798 5.117 61 3HD1 ILE 7 3HD1 ILE 7 -2.128 4.868 3.743 62 H THR 8 H THR 8 -5.089 8.470 7.212 63 HA THR 8 HA THR 8 -4.645 6.882 9.452 64 HB THR 8 HB THR 8 -4.988 9.294 9.613 65 HG1 THR 8 HG1 THR 8 -7.165 8.327 11.098 66 1HG2 THR 8 1HG2 THR 8 -7.872 8.708 8.939 67 2HG2 THR 8 2HG2 THR 8 -6.720 9.575 7.925 68 3HG2 THR 8 3HG2 THR 8 -7.236 10.269 9.461 69 H GLU 9 H GLU 9 -7.235 6.800 7.159 70 HA GLU 9 HA GLU 9 -8.859 5.104 8.910 71 1HB GLU 9 1HB GLU 9 -9.448 6.417 6.255 72 2HB GLU 9 2HB GLU 9 -10.559 5.324 7.068 73 1HG GLU 9 1HG GLU 9 -9.523 7.893 8.246 74 2HG GLU 9 2HG GLU 9 -11.072 7.718 7.420 75 H VAL 10 H VAL 10 -7.224 5.099 5.779 76 HA VAL 10 HA VAL 10 -8.153 2.513 5.035 77 HB VAL 10 HB VAL 10 -5.891 4.174 3.919 78 1HG1 VAL 10 1HG1 VAL 10 -5.546 1.798 3.429 79 2HG1 VAL 10 2HG1 VAL 10 -5.967 2.702 1.973 80 3HG1 VAL 10 3HG1 VAL 10 -7.180 1.699 2.770 81 1HG2 VAL 10 1HG2 VAL 10 -8.064 5.214 3.659 82 2HG2 VAL 10 2HG2 VAL 10 -8.724 3.721 2.991 83 3HG2 VAL 10 3HG2 VAL 10 -7.496 4.617 2.098 84 H LEU 11 H LEU 11 -5.267 3.692 6.674 85 HA LEU 11 HA LEU 11 -3.621 1.483 6.416 86 1HB LEU 11 1HB LEU 11 -2.626 3.356 7.339 87 2HB LEU 11 2HB LEU 11 -3.915 3.602 8.498 88 HG LEU 11 HG LEU 11 -3.127 1.656 9.779 89 1HD1 LEU 11 1HD1 LEU 11 -0.846 1.640 7.811 90 2HD1 LEU 11 2HD1 LEU 11 -2.091 0.400 7.979 91 3HD1 LEU 11 3HD1 LEU 11 -0.946 0.683 9.289 92 1HD2 LEU 11 1HD2 LEU 11 -2.391 3.883 10.382 93 2HD2 LEU 11 2HD2 LEU 11 -1.046 3.768 9.247 94 3HD2 LEU 11 3HD2 LEU 11 -1.099 2.715 10.660 95 HA PRO 12 HA PRO 12 -5.392 -0.560 10.404 96 1HB PRO 12 1HB PRO 12 -7.775 0.392 11.357 97 2HB PRO 12 2HB PRO 12 -6.193 0.899 11.959 98 1HG PRO 12 1HG PRO 12 -7.998 2.252 9.999 99 2HG PRO 12 2HG PRO 12 -7.045 2.957 11.317 100 1HD PRO 12 1HD PRO 12 -6.239 3.076 8.754 101 2HD PRO 12 2HD PRO 12 -5.091 2.917 10.095 102 H ARG 13 H ARG 13 -7.709 0.722 8.046 103 HA ARG 13 HA ARG 13 -9.333 -1.670 8.200 104 1HB ARG 13 1HB ARG 13 -9.482 0.808 6.493 105 2HB ARG 13 2HB ARG 13 -10.597 -0.539 6.334 106 1HG ARG 13 1HG ARG 13 -11.363 -0.237 8.594 107 2HG ARG 13 2HG ARG 13 -10.157 1.022 8.863 108 1HD ARG 13 1HD ARG 13 -11.221 2.399 7.141 109 2HD ARG 13 2HD ARG 13 -12.432 1.142 6.887 110 HE ARG 13 HE ARG 13 -13.485 1.778 8.833 111 1HH1 ARG 13 1HH1 ARG 13 -10.356 3.326 8.639 112 2HH1 ARG 13 2HH1 ARG 13 -10.705 4.491 9.881 113 1HH2 ARG 13 1HH2 ARG 13 -13.945 3.281 10.492 114 2HH2 ARG 13 2HH2 ARG 13 -12.741 4.457 10.944 115 H ALA 14 H ALA 14 -6.429 -1.160 6.866 116 HA ALA 14 HA ALA 14 -6.923 -2.467 4.322 117 1HB ALA 14 1HB ALA 14 -4.549 -2.220 3.925 118 2HB ALA 14 2HB ALA 14 -4.289 -1.729 5.600 119 3HB ALA 14 3HB ALA 14 -5.212 -0.694 4.510 120 H VAL 15 H VAL 15 -6.133 -4.484 3.752 121 HA VAL 15 HA VAL 15 -5.502 -6.260 6.020 122 HB VAL 15 HB VAL 15 -6.504 -8.098 4.639 123 1HG1 VAL 15 1HG1 VAL 15 -8.838 -7.467 5.090 124 2HG1 VAL 15 2HG1 VAL 15 -8.324 -5.800 5.352 125 3HG1 VAL 15 3HG1 VAL 15 -7.772 -7.072 6.439 126 1HG2 VAL 15 1HG2 VAL 15 -6.331 -7.092 2.441 127 2HG2 VAL 15 2HG2 VAL 15 -7.426 -5.794 2.921 128 3HG2 VAL 15 3HG2 VAL 15 -8.020 -7.450 2.803 129 H GLY 16 H GLY 16 -4.191 -4.750 3.456 130 1HA GLY 16 1HA GLY 16 -1.870 -6.446 3.467 131 2HA GLY 16 2HA GLY 16 -2.733 -6.468 1.933 132 H SER 17 H SER 17 -0.104 -5.510 2.140 133 HA SER 17 HA SER 17 -0.533 -2.834 1.155 134 1HB SER 17 1HB SER 17 1.287 -1.903 2.662 135 2HB SER 17 2HB SER 17 -0.254 -2.251 3.445 136 HG SER 17 HG SER 17 0.631 -4.181 4.241 137 H LEU 18 H LEU 18 0.830 -2.301 -0.405 138 HA LEU 18 HA LEU 18 3.228 -3.960 -0.791 139 1HB LEU 18 1HB LEU 18 1.318 -2.689 -2.696 140 2HB LEU 18 2HB LEU 18 2.996 -2.851 -3.167 141 HG LEU 18 HG LEU 18 1.252 -5.147 -2.303 142 1HD1 LEU 18 1HD1 LEU 18 0.459 -4.194 -4.405 143 2HD1 LEU 18 2HD1 LEU 18 1.210 -5.768 -4.666 144 3HD1 LEU 18 3HD1 LEU 18 2.089 -4.293 -5.069 145 1HD2 LEU 18 1HD2 LEU 18 3.664 -5.451 -1.916 146 2HD2 LEU 18 2HD2 LEU 18 3.961 -5.108 -3.623 147 3HD2 LEU 18 3HD2 LEU 18 3.040 -6.539 -3.158 148 H THR 19 H THR 19 5.040 -2.949 -0.279 149 HA THR 19 HA THR 19 5.035 -0.029 -0.099 150 HB THR 19 HB THR 19 7.081 -2.005 0.924 151 HG1 THR 19 HG1 THR 19 4.645 -1.480 1.809 152 1HG2 THR 19 1HG2 THR 19 7.999 0.238 0.583 153 2HG2 THR 19 2HG2 THR 19 7.852 -0.122 2.305 154 3HG2 THR 19 3HG2 THR 19 6.674 0.931 1.519 155 H PHE 20 H PHE 20 5.647 0.975 -1.896 156 HA PHE 20 HA PHE 20 7.876 -0.113 -3.479 157 1HB PHE 20 1HB PHE 20 5.693 1.877 -4.119 158 2HB PHE 20 2HB PHE 20 7.113 1.696 -5.136 159 HD1 PHE 20 HD1 PHE 20 6.468 0.743 -7.091 160 HD2 PHE 20 HD2 PHE 20 4.931 -0.825 -3.451 161 HE1 PHE 20 HE1 PHE 20 5.352 -1.052 -8.343 162 HE2 PHE 20 HE2 PHE 20 3.809 -2.624 -4.702 163 HZ PHE 20 HZ PHE 20 4.019 -2.732 -7.146 164 H ASP 21 H ASP 21 9.501 1.444 -4.236 165 HA ASP 21 HA ASP 21 10.082 3.405 -2.141 166 1HB ASP 21 1HB ASP 21 12.327 3.196 -2.654 167 2HB ASP 21 2HB ASP 21 11.744 1.588 -3.063 168 H GLU 22 H GLU 22 11.543 5.301 -3.252 169 HA GLU 22 HA GLU 22 9.635 6.949 -4.515 170 1HB GLU 22 1HB GLU 22 11.545 8.545 -4.716 171 2HB GLU 22 2HB GLU 22 11.289 7.926 -3.093 172 1HG GLU 22 1HG GLU 22 13.101 6.279 -3.503 173 2HG GLU 22 2HG GLU 22 13.407 7.069 -5.049 174 H ASN 23 H ASN 23 11.904 4.705 -5.774 175 HA ASN 23 HA ASN 23 11.771 5.850 -8.451 176 1HB ASN 23 1HB ASN 23 13.321 3.505 -7.338 177 2HB ASN 23 2HB ASN 23 13.377 4.028 -9.013 178 1HD2 ASN 23 1HD2 ASN 23 14.310 4.731 -5.760 179 2HD2 ASN 23 2HD2 ASN 23 15.442 5.994 -6.137 180 H TYR 24 H TYR 24 9.726 4.194 -6.700 181 HA TYR 24 HA TYR 24 7.857 3.009 -7.170 182 1HB TYR 24 1HB TYR 24 8.705 3.410 -10.042 183 2HB TYR 24 2HB TYR 24 7.144 2.772 -9.535 184 HD1 TYR 24 HD1 TYR 24 9.156 5.744 -10.009 185 HD2 TYR 24 HD2 TYR 24 5.552 4.249 -8.308 186 HE1 TYR 24 HE1 TYR 24 8.279 8.036 -9.869 187 HE2 TYR 24 HE2 TYR 24 4.666 6.539 -8.162 188 HH TYR 24 HH TYR 24 5.580 8.868 -8.047 189 H ASN 25 H ASN 25 10.347 1.596 -6.650 190 HA ASN 25 HA ASN 25 9.826 -0.921 -8.096 191 1HB ASN 25 1HB ASN 25 12.114 -0.194 -6.243 192 2HB ASN 25 2HB ASN 25 11.937 -1.722 -7.097 193 1HD2 ASN 25 1HD2 ASN 25 12.670 1.648 -7.366 194 2HD2 ASN 25 2HD2 ASN 25 13.356 1.585 -8.962 195 H LEU 26 H LEU 26 9.175 -2.767 -6.993 196 HA LEU 26 HA LEU 26 7.808 -2.378 -4.530 197 1HB LEU 26 1HB LEU 26 6.959 -3.966 -6.124 198 2HB LEU 26 2HB LEU 26 8.466 -4.861 -6.109 199 HG LEU 26 HG LEU 26 8.061 -5.621 -3.852 200 1HD1 LEU 26 1HD1 LEU 26 5.977 -5.066 -2.681 201 2HD1 LEU 26 2HD1 LEU 26 5.569 -3.930 -3.969 202 3HD1 LEU 26 3HD1 LEU 26 6.985 -3.645 -2.957 203 1HD2 LEU 26 1HD2 LEU 26 6.044 -6.963 -4.228 204 2HD2 LEU 26 2HD2 LEU 26 7.079 -6.925 -5.655 205 3HD2 LEU 26 3HD2 LEU 26 5.620 -5.936 -5.597 206 H LEU 27 H LEU 27 8.632 -2.366 -2.586 207 HA LEU 27 HA LEU 27 11.262 -3.563 -2.110 208 1HB LEU 27 1HB LEU 27 9.621 -1.733 -0.358 209 2HB LEU 27 2HB LEU 27 11.264 -2.254 -0.046 210 HG LEU 27 HG LEU 27 10.393 -0.513 -2.351 211 1HD1 LEU 27 1HD1 LEU 27 10.195 0.641 -0.231 212 2HD1 LEU 27 2HD1 LEU 27 11.582 1.259 -1.130 213 3HD1 LEU 27 3HD1 LEU 27 11.828 0.147 0.216 214 1HD2 LEU 27 1HD2 LEU 27 12.339 -1.887 -2.893 215 2HD2 LEU 27 2HD2 LEU 27 13.145 -1.331 -1.426 216 3HD2 LEU 27 3HD2 LEU 27 12.786 -0.190 -2.720 217 H ASP 28 H ASP 28 8.049 -3.363 -0.601 218 HA ASP 28 HA ASP 28 8.567 -5.943 0.703 219 1HB ASP 28 1HB ASP 28 9.015 -4.203 2.350 220 2HB ASP 28 2HB ASP 28 7.450 -3.465 2.027 221 H THR 29 H THR 29 6.962 -7.344 0.618 222 HA THR 29 HA THR 29 4.289 -6.372 -0.154 223 HB THR 29 HB THR 29 5.438 -9.132 -0.626 224 HG1 THR 29 HG1 THR 29 6.529 -7.605 -1.925 225 1HG2 THR 29 1HG2 THR 29 3.521 -9.354 -2.163 226 2HG2 THR 29 2HG2 THR 29 2.943 -7.770 -1.641 227 3HG2 THR 29 3HG2 THR 29 3.015 -9.107 -0.492 228 H SER 30 H SER 30 2.871 -6.471 1.492 229 HA SER 30 HA SER 30 3.097 -8.710 3.380 230 1HB SER 30 1HB SER 30 2.767 -5.793 4.105 231 2HB SER 30 2HB SER 30 2.593 -7.130 5.243 232 HG SER 30 HG SER 30 4.908 -6.139 3.971 233 H GLY 31 H GLY 31 1.170 -9.249 4.504 234 1HA GLY 31 1HA GLY 31 -1.100 -9.414 4.857 235 2HA GLY 31 2HA GLY 31 -1.304 -7.900 3.990 236 H VAL 32 H VAL 32 -3.127 -8.674 2.915 237 HA VAL 32 HA VAL 32 -3.234 -11.052 1.414 238 HB VAL 32 HB VAL 32 -4.786 -8.493 0.948 239 1HG1 VAL 32 1HG1 VAL 32 -5.392 -11.332 0.127 240 2HG1 VAL 32 2HG1 VAL 32 -4.931 -10.013 -0.950 241 3HG1 VAL 32 3HG1 VAL 32 -6.466 -9.949 -0.083 242 1HG2 VAL 32 1HG2 VAL 32 -5.024 -9.304 3.236 243 2HG2 VAL 32 2HG2 VAL 32 -5.468 -10.902 2.631 244 3HG2 VAL 32 3HG2 VAL 32 -6.521 -9.518 2.329 245 H ALA 33 H ALA 33 -1.651 -8.088 0.815 246 HA ALA 33 HA ALA 33 -1.644 -8.006 -1.990 247 1HB ALA 33 1HB ALA 33 -0.910 -6.136 -0.588 248 2HB ALA 33 2HB ALA 33 0.314 -6.579 -1.777 249 3HB ALA 33 3HB ALA 33 0.504 -7.066 -0.093 250 H LYS 34 H LYS 34 -0.191 -10.209 0.161 251 HA LYS 34 HA LYS 34 2.014 -10.959 -1.506 252 1HB LYS 34 1HB LYS 34 0.735 -12.428 0.802 253 2HB LYS 34 2HB LYS 34 2.274 -12.822 0.061 254 1HG LYS 34 1HG LYS 34 3.160 -10.650 0.770 255 2HG LYS 34 2HG LYS 34 1.618 -10.299 1.555 256 1HD LYS 34 1HD LYS 34 3.450 -12.605 2.221 257 2HD LYS 34 2HD LYS 34 3.290 -11.116 3.154 258 1HE LYS 34 1HE LYS 34 0.948 -11.639 3.601 259 2HE LYS 34 2HE LYS 34 1.079 -13.106 2.631 260 1HZ LYS 34 1HZ LYS 34 2.576 -12.538 5.135 261 2HZ LYS 34 2HZ LYS 34 2.728 -13.939 4.196 262 3HZ LYS 34 3HZ LYS 34 1.263 -13.600 4.980 263 H VAL 35 H VAL 35 -1.345 -11.827 -1.277 264 HA VAL 35 HA VAL 35 -0.869 -14.168 -2.992 265 HB VAL 35 HB VAL 35 -3.081 -14.958 -2.422 266 1HG1 VAL 35 1HG1 VAL 35 -1.538 -14.095 0.021 267 2HG1 VAL 35 2HG1 VAL 35 -1.272 -15.560 -0.922 268 3HG1 VAL 35 3HG1 VAL 35 -2.772 -15.353 -0.017 269 1HG2 VAL 35 1HG2 VAL 35 -4.500 -13.795 -0.796 270 2HG2 VAL 35 2HG2 VAL 35 -4.244 -12.825 -2.247 271 3HG2 VAL 35 3HG2 VAL 35 -3.359 -12.451 -0.768 272 H ILE 36 H ILE 36 -1.991 -10.971 -3.045 273 HA ILE 36 HA ILE 36 -3.581 -11.231 -5.436 274 HB ILE 36 HB ILE 36 -2.420 -8.807 -4.043 275 1HG1 ILE 36 1HG1 ILE 36 -5.286 -9.746 -4.215 276 2HG1 ILE 36 2HG1 ILE 36 -4.219 -10.125 -2.869 277 1HG2 ILE 36 1HG2 ILE 36 -2.699 -8.351 -6.426 278 2HG2 ILE 36 2HG2 ILE 36 -3.879 -7.459 -5.465 279 3HG2 ILE 36 3HG2 ILE 36 -4.371 -8.908 -6.342 280 1HD1 ILE 36 1HD1 ILE 36 -3.990 -7.757 -2.375 281 2HD1 ILE 36 2HD1 ILE 36 -5.682 -8.252 -2.361 282 3HD1 ILE 36 3HD1 ILE 36 -5.036 -7.364 -3.741 283 H GLU 37 H GLU 37 -2.923 -10.731 -7.534 284 HA GLU 37 HA GLU 37 -0.267 -11.355 -8.217 285 1HB GLU 37 1HB GLU 37 -0.890 -10.820 -10.496 286 2HB GLU 37 2HB GLU 37 -2.201 -11.700 -9.723 287 1HG GLU 37 1HG GLU 37 -3.556 -9.818 -9.594 288 2HG GLU 37 2HG GLU 37 -2.200 -8.711 -9.809 289 H LYS 38 H LYS 38 1.347 -10.058 -9.187 290 HA LYS 38 HA LYS 38 1.348 -7.312 -8.210 291 1HB LYS 38 1HB LYS 38 3.483 -9.187 -9.142 292 2HB LYS 38 2HB LYS 38 3.778 -7.456 -9.206 293 1HG LYS 38 1HG LYS 38 4.655 -8.471 -7.159 294 2HG LYS 38 2HG LYS 38 3.411 -7.269 -6.823 295 1HD LYS 38 1HD LYS 38 1.791 -8.964 -6.379 296 2HD LYS 38 2HD LYS 38 2.873 -10.229 -6.958 297 1HE LYS 38 1HE LYS 38 3.459 -8.468 -4.585 298 2HE LYS 38 2HE LYS 38 2.701 -10.056 -4.467 299 1HZ LYS 38 1HZ LYS 38 5.076 -10.186 -4.075 300 2HZ LYS 38 2HZ LYS 38 5.394 -9.509 -5.600 301 3HZ LYS 38 3HZ LYS 38 4.660 -11.032 -5.483 302 H SER 39 H SER 39 -0.206 -6.562 -9.686 303 HA SER 39 HA SER 39 0.240 -6.541 -12.504 304 1HB SER 39 1HB SER 39 -1.485 -4.673 -10.856 305 2HB SER 39 2HB SER 39 -1.661 -5.043 -12.570 306 HG SER 39 HG SER 39 -1.944 -7.313 -11.777 307 HA PRO 40 HA PRO 40 2.787 -2.854 -12.960 308 1HB PRO 40 1HB PRO 40 1.467 -1.349 -14.805 309 2HB PRO 40 2HB PRO 40 2.368 -2.812 -15.220 310 1HG PRO 40 1HG PRO 40 -0.575 -2.462 -14.787 311 2HG PRO 40 2HG PRO 40 0.268 -3.361 -16.064 312 1HD PRO 40 1HD PRO 40 -0.806 -4.592 -13.922 313 2HD PRO 40 2HD PRO 40 0.693 -5.167 -14.682 314 H ILE 41 H ILE 41 1.502 -2.654 -10.671 315 HA ILE 41 HA ILE 41 -0.425 -0.609 -10.404 316 HB ILE 41 HB ILE 41 1.448 -1.734 -8.313 317 1HG1 ILE 41 1HG1 ILE 41 -1.368 -2.539 -9.077 318 2HG1 ILE 41 2HG1 ILE 41 0.088 -3.451 -9.457 319 1HG2 ILE 41 1HG2 ILE 41 -0.225 -0.979 -6.698 320 2HG2 ILE 41 2HG2 ILE 41 -1.172 -0.269 -8.007 321 3HG2 ILE 41 3HG2 ILE 41 0.425 0.376 -7.623 322 1HD1 ILE 41 1HD1 ILE 41 -0.958 -2.877 -6.696 323 2HD1 ILE 41 2HD1 ILE 41 0.492 -3.805 -7.085 324 3HD1 ILE 41 3HD1 ILE 41 -1.098 -4.405 -7.567 325 H ALA 42 H ALA 42 3.072 -0.609 -10.418 326 HA ALA 42 HA ALA 42 3.615 1.841 -9.201 327 1HB ALA 42 1HB ALA 42 5.694 1.857 -10.473 328 2HB ALA 42 2HB ALA 42 5.061 0.606 -11.543 329 3HB ALA 42 3HB ALA 42 5.354 0.246 -9.842 330 H GLU 43 H GLU 43 2.475 1.123 -12.431 331 HA GLU 43 HA GLU 43 2.829 3.693 -13.557 332 1HB GLU 43 1HB GLU 43 2.410 1.586 -14.844 333 2HB GLU 43 2HB GLU 43 0.747 1.617 -14.274 334 1HG GLU 43 1HG GLU 43 0.881 2.488 -16.518 335 2HG GLU 43 2HG GLU 43 0.412 3.767 -15.399 336 H ILE 44 H ILE 44 0.233 2.201 -11.702 337 HA ILE 44 HA ILE 44 -1.511 4.472 -12.073 338 HB ILE 44 HB ILE 44 -1.938 2.297 -10.039 339 1HG1 ILE 44 1HG1 ILE 44 -1.416 1.188 -12.172 340 2HG1 ILE 44 2HG1 ILE 44 -3.116 0.995 -11.758 341 1HG2 ILE 44 1HG2 ILE 44 -3.852 3.948 -11.693 342 2HG2 ILE 44 2HG2 ILE 44 -3.424 4.256 -10.009 343 3HG2 ILE 44 3HG2 ILE 44 -4.290 2.782 -10.442 344 1HD1 ILE 44 1HD1 ILE 44 -2.826 1.448 -14.125 345 2HD1 ILE 44 2HD1 ILE 44 -2.001 2.961 -13.747 346 3HD1 ILE 44 3HD1 ILE 44 -3.703 2.758 -13.336 347 H ILE 45 H ILE 45 0.811 3.316 -9.747 348 HA ILE 45 HA ILE 45 0.128 4.921 -7.544 349 HB ILE 45 HB ILE 45 2.867 3.972 -8.418 350 1HG1 ILE 45 1HG1 ILE 45 0.942 2.867 -6.358 351 2HG1 ILE 45 2HG1 ILE 45 1.281 2.154 -7.932 352 1HG2 ILE 45 1HG2 ILE 45 1.984 5.113 -5.768 353 2HG2 ILE 45 2HG2 ILE 45 3.059 5.888 -6.932 354 3HG2 ILE 45 3HG2 ILE 45 3.567 4.412 -6.110 355 1HD1 ILE 45 1HD1 ILE 45 3.617 1.811 -7.253 356 2HD1 ILE 45 2HD1 ILE 45 2.477 0.978 -6.195 357 3HD1 ILE 45 3HD1 ILE 45 3.233 2.479 -5.665 358 H ARG 46 H ARG 46 2.345 5.518 -10.258 359 HA ARG 46 HA ARG 46 3.083 8.114 -9.447 360 1HB ARG 46 1HB ARG 46 3.859 8.383 -11.788 361 2HB ARG 46 2HB ARG 46 4.474 6.937 -11.010 362 1HG ARG 46 1HG ARG 46 2.733 5.636 -12.188 363 2HG ARG 46 2HG ARG 46 2.250 7.110 -13.027 364 1HD ARG 46 1HD ARG 46 4.961 5.798 -13.151 365 2HD ARG 46 2HD ARG 46 3.725 5.745 -14.405 366 HE ARG 46 HE ARG 46 4.726 8.367 -13.578 367 1HH1 ARG 46 1HH1 ARG 46 4.523 5.841 -15.996 368 2HH1 ARG 46 2HH1 ARG 46 5.319 6.775 -17.228 369 1HH2 ARG 46 1HH2 ARG 46 5.753 9.612 -15.196 370 2HH2 ARG 46 2HH2 ARG 46 5.988 8.939 -16.783 371 H LYS 47 H LYS 47 0.560 6.928 -11.630 372 HA LYS 47 HA LYS 47 -0.461 9.394 -12.442 373 1HB LYS 47 1HB LYS 47 -1.918 6.790 -11.943 374 2HB LYS 47 2HB LYS 47 -2.638 8.186 -12.734 375 1HG LYS 47 1HG LYS 47 -0.945 8.045 -14.497 376 2HG LYS 47 2HG LYS 47 -0.262 6.621 -13.712 377 1HD LYS 47 1HD LYS 47 -2.430 5.468 -13.985 378 2HD LYS 47 2HD LYS 47 -3.046 6.884 -14.844 379 1HE LYS 47 1HE LYS 47 -1.205 6.614 -16.487 380 2HE LYS 47 2HE LYS 47 -0.745 5.122 -15.672 381 1HZ LYS 47 1HZ LYS 47 -3.388 5.629 -16.937 382 2HZ LYS 47 2HZ LYS 47 -2.887 4.175 -16.224 383 3HZ LYS 47 3HZ LYS 47 -2.124 4.738 -17.633 384 H SER 48 H SER 48 -1.299 7.413 -9.616 385 HA SER 48 HA SER 48 -3.226 9.226 -8.604 386 1HB SER 48 1HB SER 48 -1.676 7.111 -7.099 387 2HB SER 48 2HB SER 48 -3.199 7.857 -6.612 388 HG SER 48 HG SER 48 -2.738 6.166 -8.847 389 H ASN 49 H ASN 49 0.215 9.104 -8.451 390 HA ASN 49 HA ASN 49 0.559 10.657 -6.099 391 1HB ASN 49 1HB ASN 49 2.434 9.398 -6.949 392 2HB ASN 49 2HB ASN 49 2.345 10.215 -8.504 393 1HD2 ASN 49 1HD2 ASN 49 3.338 12.144 -8.778 394 2HD2 ASN 49 2HD2 ASN 49 4.285 12.921 -7.547 395 H ALA 50 H ALA 50 0.068 11.386 -9.484 396 HA ALA 50 HA ALA 50 0.259 14.235 -9.113 397 1HB ALA 50 1HB ALA 50 0.818 13.255 -11.259 398 2HB ALA 50 2HB ALA 50 -0.549 14.355 -11.433 399 3HB ALA 50 3HB ALA 50 -0.816 12.612 -11.417 400 H GLU 51 H GLU 51 -2.170 11.825 -8.799 401 HA GLU 51 HA GLU 51 -4.444 13.527 -9.131 402 1HB GLU 51 1HB GLU 51 -4.182 10.813 -7.827 403 2HB GLU 51 2HB GLU 51 -5.705 11.616 -8.175 404 1HG GLU 51 1HG GLU 51 -3.689 10.890 -10.279 405 2HG GLU 51 2HG GLU 51 -5.024 9.847 -9.799 406 H LEU 52 H LEU 52 -2.485 12.487 -6.388 407 HA LEU 52 HA LEU 52 -4.045 14.198 -4.620 408 1HB LEU 52 1HB LEU 52 -4.289 12.312 -2.985 409 2HB LEU 52 2HB LEU 52 -5.280 12.202 -4.424 410 HG LEU 52 HG LEU 52 -3.578 10.616 -5.377 411 1HD1 LEU 52 1HD1 LEU 52 -1.700 11.210 -3.906 412 2HD1 LEU 52 2HD1 LEU 52 -2.063 9.484 -3.885 413 3HD1 LEU 52 3HD1 LEU 52 -2.571 10.510 -2.540 414 1HD2 LEU 52 1HD2 LEU 52 -4.994 9.843 -2.846 415 2HD2 LEU 52 2HD2 LEU 52 -4.380 8.724 -4.064 416 3HD2 LEU 52 3HD2 LEU 52 -5.672 9.854 -4.474 417 H GLY 53 H GLY 53 -3.165 13.707 -2.244 418 1HA GLY 53 1HA GLY 53 -0.223 13.536 -2.379 419 2HA GLY 53 2HA GLY 53 -1.074 14.594 -1.260 420 H ARG 54 H ARG 54 -2.263 13.648 0.481 421 HA ARG 54 HA ARG 54 -0.953 11.211 1.422 422 1HB ARG 54 1HB ARG 54 -1.016 13.361 2.759 423 2HB ARG 54 2HB ARG 54 -2.737 13.081 2.980 424 1HG ARG 54 1HG ARG 54 -1.710 10.701 3.785 425 2HG ARG 54 2HG ARG 54 -0.436 11.820 4.281 426 1HD ARG 54 1HD ARG 54 -3.359 11.988 4.983 427 2HD ARG 54 2HD ARG 54 -2.046 11.532 6.070 428 HE ARG 54 HE ARG 54 -1.388 14.030 5.111 429 1HH1 ARG 54 1HH1 ARG 54 -3.987 12.603 6.970 430 2HH1 ARG 54 2HH1 ARG 54 -4.410 14.092 7.770 431 1HH2 ARG 54 1HH2 ARG 54 -1.944 15.995 6.145 432 2HH2 ARG 54 2HH2 ARG 54 -3.216 16.012 7.330 433 H LEU 55 H LEU 55 -3.597 11.720 -0.310 434 HA LEU 55 HA LEU 55 -5.450 10.077 1.213 435 1HB LEU 55 1HB LEU 55 -5.743 11.323 -1.525 436 2HB LEU 55 2HB LEU 55 -6.995 10.412 -0.703 437 HG LEU 55 HG LEU 55 -7.571 12.666 -0.415 438 1HD1 LEU 55 1HD1 LEU 55 -7.362 13.068 1.988 439 2HD1 LEU 55 2HD1 LEU 55 -6.142 11.797 2.086 440 3HD1 LEU 55 3HD1 LEU 55 -7.797 11.398 1.626 441 1HD2 LEU 55 1HD2 LEU 55 -5.485 13.696 -1.103 442 2HD2 LEU 55 2HD2 LEU 55 -4.728 13.222 0.418 443 3HD2 LEU 55 3HD2 LEU 55 -6.048 14.391 0.416 444 H GLY 56 H GLY 56 -6.574 8.262 -0.023 445 1HA GLY 56 1HA GLY 56 -4.475 6.685 -1.372 446 2HA GLY 56 2HA GLY 56 -5.727 6.003 -0.349 447 H TYR 57 H TYR 57 -4.853 7.015 -3.483 448 HA TYR 57 HA TYR 57 -7.484 6.886 -4.650 449 1HB TYR 57 1HB TYR 57 -5.481 8.218 -5.531 450 2HB TYR 57 2HB TYR 57 -4.833 6.686 -6.090 451 HD1 TYR 57 HD1 TYR 57 -5.898 5.504 -7.962 452 HD2 TYR 57 HD2 TYR 57 -7.319 9.286 -6.635 453 HE1 TYR 57 HE1 TYR 57 -7.133 5.772 -10.069 454 HE2 TYR 57 HE2 TYR 57 -8.565 9.563 -8.734 455 HH TYR 57 HH TYR 57 -8.435 8.720 -11.069 456 H SER 58 H SER 58 -8.447 5.106 -5.565 457 HA SER 58 HA SER 58 -7.365 2.542 -4.998 458 1HB SER 58 1HB SER 58 -9.382 1.895 -6.561 459 2HB SER 58 2HB SER 58 -9.677 2.554 -4.951 460 HG SER 58 HG SER 58 -10.466 3.521 -7.293 461 H VAL 59 H VAL 59 -5.687 1.781 -6.042 462 HA VAL 59 HA VAL 59 -5.258 2.517 -8.840 463 HB VAL 59 HB VAL 59 -2.955 1.698 -8.517 464 1HG1 VAL 59 1HG1 VAL 59 -3.796 3.617 -6.352 465 2HG1 VAL 59 2HG1 VAL 59 -3.592 4.046 -8.052 466 3HG1 VAL 59 3HG1 VAL 59 -2.207 3.497 -7.109 467 1HG2 VAL 59 1HG2 VAL 59 -3.416 -0.010 -6.813 468 2HG2 VAL 59 2HG2 VAL 59 -3.784 1.263 -5.646 469 3HG2 VAL 59 3HG2 VAL 59 -2.151 1.106 -6.295 470 H TYR 60 H TYR 60 -5.600 -0.275 -6.741 471 HA TYR 60 HA TYR 60 -5.950 -1.911 -9.156 472 1HB TYR 60 1HB TYR 60 -3.872 -2.564 -8.000 473 2HB TYR 60 2HB TYR 60 -4.776 -2.811 -6.507 474 HD1 TYR 60 HD1 TYR 60 -6.016 -4.818 -6.135 475 HD2 TYR 60 HD2 TYR 60 -4.236 -4.085 -9.931 476 HE1 TYR 60 HE1 TYR 60 -6.504 -7.131 -6.805 477 HE2 TYR 60 HE2 TYR 60 -4.719 -6.401 -10.610 478 HH TYR 60 HH TYR 60 -6.851 -8.401 -8.877 479 H GLU 61 H GLU 61 -8.108 -1.949 -9.297 480 HA GLU 61 HA GLU 61 -9.643 -2.546 -6.876 481 1HB GLU 61 1HB GLU 61 -10.296 -0.550 -8.168 482 2HB GLU 61 2HB GLU 61 -10.603 -1.566 -9.570 483 1HG GLU 61 1HG GLU 61 -12.437 -2.628 -8.503 484 2HG GLU 61 2HG GLU 61 -12.032 -1.901 -6.949 485 H ASP 62 H ASP 62 -10.003 -4.589 -6.538 486 HA ASP 62 HA ASP 62 -10.389 -6.408 -8.824 487 1HB ASP 62 1HB ASP 62 -8.298 -6.730 -7.397 488 2HB ASP 62 2HB ASP 62 -9.366 -7.124 -6.059 489 H ALA 63 H ALA 63 -11.849 -8.275 -8.257 490 HA ALA 63 HA ALA 63 -14.243 -7.324 -7.049 491 1HB ALA 63 1HB ALA 63 -15.104 -9.597 -7.450 492 2HB ALA 63 2HB ALA 63 -13.480 -10.116 -7.909 493 3HB ALA 63 3HB ALA 63 -14.331 -8.913 -8.879 494 H GLN 64 H GLN 64 -11.430 -8.761 -5.821 495 HA GLN 64 HA GLN 64 -12.729 -9.734 -3.394 496 1HB GLN 64 1HB GLN 64 -9.788 -9.686 -4.093 497 2HB GLN 64 2HB GLN 64 -10.545 -10.579 -2.781 498 1HG GLN 64 1HG GLN 64 -11.613 -12.065 -4.281 499 2HG GLN 64 2HG GLN 64 -11.189 -11.065 -5.672 500 1HE2 GLN 64 1HE2 GLN 64 -9.047 -11.003 -6.367 501 2HE2 GLN 64 2HE2 GLN 64 -7.938 -12.283 -5.993 502 H TYR 65 H TYR 65 -10.051 -7.507 -4.203 503 HA TYR 65 HA TYR 65 -10.725 -5.896 -1.846 504 1HB TYR 65 1HB TYR 65 -7.907 -6.793 -2.484 505 2HB TYR 65 2HB TYR 65 -8.416 -5.831 -1.109 506 HD1 TYR 65 HD1 TYR 65 -8.182 -9.178 -2.506 507 HD2 TYR 65 HD2 TYR 65 -9.617 -6.875 0.762 508 HE1 TYR 65 HE1 TYR 65 -8.487 -11.237 -1.203 509 HE2 TYR 65 HE2 TYR 65 -9.929 -8.926 2.079 510 HH TYR 65 HH TYR 65 -10.318 -11.379 1.589 511 H ILE 66 H ILE 66 -9.335 -3.834 -1.845 512 HA ILE 66 HA ILE 66 -8.784 -2.949 -4.594 513 HB ILE 66 HB ILE 66 -10.323 -1.385 -2.514 514 1HG1 ILE 66 1HG1 ILE 66 -11.120 -2.375 -5.260 515 2HG1 ILE 66 2HG1 ILE 66 -11.654 -3.063 -3.729 516 1HG2 ILE 66 1HG2 ILE 66 -8.780 0.073 -3.699 517 2HG2 ILE 66 2HG2 ILE 66 -10.439 0.399 -4.198 518 3HG2 ILE 66 3HG2 ILE 66 -9.371 -0.531 -5.248 519 1HD1 ILE 66 1HD1 ILE 66 -12.787 -0.976 -3.187 520 2HD1 ILE 66 2HD1 ILE 66 -13.362 -1.648 -4.712 521 3HD1 ILE 66 3HD1 ILE 66 -12.245 -0.283 -4.715 522 H GLY 67 H GLY 67 -6.849 -2.082 -4.802 523 1HA GLY 67 1HA GLY 67 -5.290 -1.471 -2.404 524 2HA GLY 67 2HA GLY 67 -4.668 -1.615 -4.043 525 H HIS 68 H HIS 68 -4.468 0.512 -1.901 526 HA HIS 68 HA HIS 68 -5.358 2.781 -3.560 527 1HB HIS 68 1HB HIS 68 -5.176 2.811 -0.537 528 2HB HIS 68 2HB HIS 68 -5.831 4.069 -1.577 529 HD1 HIS 68 HD1 HIS 68 -8.271 3.845 -2.297 530 HD2 HIS 68 HD2 HIS 68 -6.867 0.574 -0.149 531 HE1 HIS 68 HE1 HIS 68 -10.306 2.460 -1.762 532 HE2 HIS 68 HE2 HIS 68 -9.443 0.566 -0.333 533 H ALA 69 H ALA 69 -3.707 4.055 -4.204 534 HA ALA 69 HA ALA 69 -1.065 3.576 -3.108 535 1HB ALA 69 1HB ALA 69 -1.988 5.436 -5.292 536 2HB ALA 69 2HB ALA 69 -1.244 3.848 -5.496 537 3HB ALA 69 3HB ALA 69 -0.307 5.184 -4.825 538 H PHE 70 H PHE 70 -0.214 4.641 -1.492 539 HA PHE 70 HA PHE 70 -1.202 7.350 -0.892 540 1HB PHE 70 1HB PHE 70 -0.116 5.197 0.920 541 2HB PHE 70 2HB PHE 70 -0.281 6.874 1.428 542 HD1 PHE 70 HD1 PHE 70 -2.080 3.827 0.488 543 HD2 PHE 70 HD2 PHE 70 -2.414 7.831 1.880 544 HE1 PHE 70 HE1 PHE 70 -4.421 3.412 1.110 545 HE2 PHE 70 HE2 PHE 70 -4.755 7.422 2.507 546 HZ PHE 70 HZ PHE 70 -5.757 5.212 2.123 547 H LYS 71 H LYS 71 0.231 8.981 -0.730 548 HA LYS 71 HA LYS 71 2.982 8.472 -1.447 549 1HB LYS 71 1HB LYS 71 1.302 10.905 -1.068 550 2HB LYS 71 2HB LYS 71 3.043 11.072 -0.883 551 1HG LYS 71 1HG LYS 71 2.626 11.627 -3.102 552 2HG LYS 71 2HG LYS 71 3.222 9.973 -3.173 553 1HD LYS 71 1HD LYS 71 0.283 10.419 -2.989 554 2HD LYS 71 2HD LYS 71 1.087 10.724 -4.527 555 1HE LYS 71 1HE LYS 71 1.926 8.468 -4.590 556 2HE LYS 71 2HE LYS 71 1.291 8.149 -2.977 557 1HZ LYS 71 1HZ LYS 71 -0.929 8.340 -3.790 558 2HZ LYS 71 2HZ LYS 71 -0.100 7.265 -4.801 559 3HZ LYS 71 3HZ LYS 71 -0.396 8.850 -5.312 560 H LYS 72 H LYS 72 4.506 8.044 -0.047 561 HA LYS 72 HA LYS 72 4.019 8.651 2.796 562 1HB LYS 72 1HB LYS 72 5.656 6.402 1.599 563 2HB LYS 72 2HB LYS 72 5.379 6.678 3.314 564 1HG LYS 72 1HG LYS 72 3.157 6.144 1.358 565 2HG LYS 72 2HG LYS 72 3.990 4.870 2.250 566 1HD LYS 72 1HD LYS 72 2.583 7.206 3.546 567 2HD LYS 72 2HD LYS 72 1.848 5.621 3.294 568 1HE LYS 72 1HE LYS 72 3.609 4.596 4.655 569 2HE LYS 72 2HE LYS 72 4.336 6.182 4.907 570 1HZ LYS 72 1HZ LYS 72 2.281 6.879 6.018 571 2HZ LYS 72 2HZ LYS 72 3.014 5.566 6.801 572 3HZ LYS 72 3HZ LYS 72 1.649 5.317 5.833 573 H ALA 73 H ALA 73 6.329 8.513 3.973 574 HA ALA 73 HA ALA 73 7.738 10.791 3.054 575 1HB ALA 73 1HB ALA 73 9.305 10.316 4.887 576 2HB ALA 73 2HB ALA 73 8.512 8.759 5.140 577 3HB ALA 73 3HB ALA 73 7.622 10.258 5.413 578 H GLY 74 H GLY 74 8.500 10.449 1.005 579 1HA GLY 74 1HA GLY 74 10.179 9.981 -0.501 580 2HA GLY 74 2HA GLY 74 11.058 9.187 0.795 581 H HIS 75 H HIS 75 7.896 8.016 0.436 582 HA HIS 75 HA HIS 75 8.766 5.822 -1.301 583 1HB HIS 75 1HB HIS 75 7.794 5.550 1.532 584 2HB HIS 75 2HB HIS 75 7.563 4.250 0.374 585 HD1 HIS 75 HD1 HIS 75 9.369 4.092 2.967 586 HD2 HIS 75 HD2 HIS 75 10.708 4.729 -0.922 587 HE1 HIS 75 HE1 HIS 75 11.773 3.336 2.938 588 HE2 HIS 75 HE2 HIS 75 12.520 3.604 0.540 589 H PHE 76 H PHE 76 6.894 4.339 -1.797 590 HA PHE 76 HA PHE 76 4.315 5.751 -1.777 591 1HB PHE 76 1HB PHE 76 5.558 4.290 -4.121 592 2HB PHE 76 2HB PHE 76 3.897 4.870 -4.069 593 HD1 PHE 76 HD1 PHE 76 7.300 5.688 -4.797 594 HD2 PHE 76 HD2 PHE 76 3.505 7.355 -3.842 595 HE1 PHE 76 HE1 PHE 76 8.029 7.856 -5.703 596 HE2 PHE 76 HE2 PHE 76 4.226 9.527 -4.744 597 HZ PHE 76 HZ PHE 76 6.488 9.782 -5.678 598 H ILE 77 H ILE 77 2.893 4.489 -0.703 599 HA ILE 77 HA ILE 77 3.335 1.582 -0.868 600 HB ILE 77 HB ILE 77 2.320 3.084 1.548 601 1HG1 ILE 77 1HG1 ILE 77 4.947 1.665 1.045 602 2HG1 ILE 77 2HG1 ILE 77 4.725 3.405 1.174 603 1HG2 ILE 77 1HG2 ILE 77 1.305 0.877 1.336 604 2HG2 ILE 77 2HG2 ILE 77 2.449 0.906 2.677 605 3HG2 ILE 77 3HG2 ILE 77 2.900 0.146 1.149 606 1HD1 ILE 77 1HD1 ILE 77 4.037 3.144 3.503 607 2HD1 ILE 77 2HD1 ILE 77 5.650 2.488 3.217 608 3HD1 ILE 77 3HD1 ILE 77 4.269 1.400 3.371 609 H VAL 78 H VAL 78 1.687 0.346 -1.394 610 HA VAL 78 HA VAL 78 -0.918 1.628 -1.836 611 HB VAL 78 HB VAL 78 0.188 -0.939 -2.996 612 1HG1 VAL 78 1HG1 VAL 78 -2.362 0.539 -3.634 613 2HG1 VAL 78 2HG1 VAL 78 -2.242 -0.996 -2.775 614 3HG1 VAL 78 3HG1 VAL 78 -1.760 -0.895 -4.468 615 1HG2 VAL 78 1HG2 VAL 78 -0.217 1.766 -4.267 616 2HG2 VAL 78 2HG2 VAL 78 0.308 0.304 -5.103 617 3HG2 VAL 78 3HG2 VAL 78 1.333 1.028 -3.863 618 H TYR 79 H TYR 79 -2.228 1.325 -0.150 619 HA TYR 79 HA TYR 79 -2.073 -1.127 1.406 620 1HB TYR 79 1HB TYR 79 -3.608 1.446 1.784 621 2HB TYR 79 2HB TYR 79 -3.770 0.058 2.845 622 HD1 TYR 79 HD1 TYR 79 -2.164 -0.385 4.542 623 HD2 TYR 79 HD2 TYR 79 -1.402 2.628 1.639 624 HE1 TYR 79 HE1 TYR 79 -0.246 0.402 5.867 625 HE2 TYR 79 HE2 TYR 79 0.514 3.421 2.951 626 HH TYR 79 HH TYR 79 1.860 1.663 5.526 627 H PHE 80 H PHE 80 -3.367 -2.783 1.072 628 HA PHE 80 HA PHE 80 -5.592 -2.499 -0.795 629 1HB PHE 80 1HB PHE 80 -4.100 -4.893 0.279 630 2HB PHE 80 2HB PHE 80 -5.537 -5.029 -0.716 631 HD1 PHE 80 HD1 PHE 80 -2.027 -3.950 -0.656 632 HD2 PHE 80 HD2 PHE 80 -5.457 -4.681 -3.063 633 HE1 PHE 80 HE1 PHE 80 -0.633 -3.805 -2.680 634 HE2 PHE 80 HE2 PHE 80 -4.073 -4.539 -5.091 635 HZ PHE 80 HZ PHE 80 -1.657 -4.102 -4.900 636 H THR 81 H THR 81 -7.569 -2.284 -0.029 637 HA THR 81 HA THR 81 -8.184 -3.352 2.648 638 HB THR 81 HB THR 81 -10.013 -1.697 2.716 639 HG1 THR 81 HG1 THR 81 -10.486 -0.485 1.025 640 1HG2 THR 81 1HG2 THR 81 -7.881 -1.077 3.691 641 2HG2 THR 81 2HG2 THR 81 -8.627 0.328 2.931 642 3HG2 THR 81 3HG2 THR 81 -7.304 -0.513 2.124 643 HA PRO 82 HA PRO 82 -11.175 -6.072 0.851 644 1HB PRO 82 1HB PRO 82 -13.201 -6.056 2.642 645 2HB PRO 82 2HB PRO 82 -11.633 -6.795 2.983 646 1HG PRO 82 1HG PRO 82 -12.676 -4.109 3.796 647 2HG PRO 82 2HG PRO 82 -11.784 -5.301 4.759 648 1HD PRO 82 1HD PRO 82 -10.600 -3.132 3.646 649 2HD PRO 82 2HD PRO 82 -9.752 -4.670 3.885 650 H LYS 83 H LYS 83 -11.309 -3.649 -0.437 651 HA LYS 83 HA LYS 83 -12.585 -2.424 -1.850 652 1HB LYS 83 1HB LYS 83 -14.629 -4.550 -1.235 653 2HB LYS 83 2HB LYS 83 -14.858 -3.303 -2.451 654 1HG LYS 83 1HG LYS 83 -12.835 -4.141 -3.612 655 2HG LYS 83 2HG LYS 83 -12.753 -5.451 -2.434 656 1HD LYS 83 1HD LYS 83 -13.854 -6.367 -4.297 657 2HD LYS 83 2HD LYS 83 -15.132 -6.019 -3.132 658 1HE LYS 83 1HE LYS 83 -14.382 -4.114 -5.336 659 2HE LYS 83 2HE LYS 83 -15.579 -5.388 -5.552 660 1HZ LYS 83 1HZ LYS 83 -16.517 -3.185 -4.955 661 2HZ LYS 83 2HZ LYS 83 -15.759 -3.307 -3.445 662 3HZ LYS 83 3HZ LYS 83 -16.948 -4.425 -3.883 663 H ASN 84 H ASN 84 -12.755 -0.495 -0.828 664 HA ASN 84 HA ASN 84 -15.382 0.180 0.145 665 1HB ASN 84 1HB ASN 84 -14.690 1.121 2.265 666 2HB ASN 84 2HB ASN 84 -14.208 -0.569 2.214 667 1HD2 ASN 84 1HD2 ASN 84 -13.178 1.639 3.829 668 2HD2 ASN 84 2HD2 ASN 84 -11.487 1.728 3.476 669 H LYS 85 H LYS 85 -15.865 2.338 -0.092 670 HA LYS 85 HA LYS 85 -13.687 4.186 -0.761 671 1HB LYS 85 1HB LYS 85 -16.235 3.871 -2.356 672 2HB LYS 85 2HB LYS 85 -15.151 5.245 -2.504 673 1HG LYS 85 1HG LYS 85 -13.349 3.455 -3.016 674 2HG LYS 85 2HG LYS 85 -14.733 2.409 -3.341 675 1HD LYS 85 1HD LYS 85 -15.576 4.059 -4.962 676 2HD LYS 85 2HD LYS 85 -14.160 5.067 -4.656 677 1HE LYS 85 1HE LYS 85 -13.663 3.880 -6.626 678 2HE LYS 85 2HE LYS 85 -12.768 3.060 -5.349 679 1HZ LYS 85 1HZ LYS 85 -14.609 1.432 -5.234 680 2HZ LYS 85 2HZ LYS 85 -13.812 1.432 -6.733 681 3HZ LYS 85 3HZ LYS 85 -15.326 2.185 -6.573 682 H ASN 86 H ASN 86 -16.819 3.544 0.550 683 HA ASN 86 HA ASN 86 -18.095 4.589 2.085 684 1HB ASN 86 1HB ASN 86 -15.572 6.180 2.440 685 2HB ASN 86 2HB ASN 86 -17.038 6.605 3.316 686 1HD2 ASN 86 1HD2 ASN 86 -16.162 6.127 5.306 687 2HD2 ASN 86 2HD2 ASN 86 -15.854 4.505 5.829 688 H ARG 87 H ARG 87 -19.782 5.342 0.995 689 HA ARG 87 HA ARG 87 -19.692 8.172 0.225 690 1HB ARG 87 1HB ARG 87 -21.030 6.000 -1.399 691 2HB ARG 87 2HB ARG 87 -21.101 7.722 -1.734 692 1HG ARG 87 1HG ARG 87 -18.652 7.716 -2.072 693 2HG ARG 87 2HG ARG 87 -18.661 5.966 -1.846 694 1HD ARG 87 1HD ARG 87 -20.074 7.523 -4.006 695 2HD ARG 87 2HD ARG 87 -18.674 6.470 -4.205 696 HE ARG 87 HE ARG 87 -20.463 4.773 -3.171 697 1HH1 ARG 87 1HH1 ARG 87 -20.787 7.136 -5.747 698 2HH1 ARG 87 2HH1 ARG 87 -21.971 6.199 -6.612 699 1HH2 ARG 87 1HH2 ARG 87 -22.031 3.560 -4.310 700 2HH2 ARG 87 2HH2 ARG 87 -22.679 4.191 -5.798 701 H GLU 88 H GLU 88 -21.662 9.269 0.441 702 HA GLU 88 HA GLU 88 -23.556 9.855 1.512 703 1HB GLU 88 1HB GLU 88 -24.199 7.019 0.778 704 2HB GLU 88 2HB GLU 88 -25.330 7.976 1.724 705 1HG GLU 88 1HG GLU 88 -25.955 8.090 -0.575 706 2HG GLU 88 2HG GLU 88 -25.349 9.664 -0.073 707 H GLY 89 H GLY 89 -22.542 10.335 3.428 708 1HA GLY 89 1HA GLY 89 -23.422 9.629 5.802 709 2HA GLY 89 2HA GLY 89 -22.378 8.248 5.474 710 H VAL 90 H VAL 90 -20.158 8.500 5.484 711 HA VAL 90 HA VAL 90 -19.198 11.099 6.468 712 HB VAL 90 HB VAL 90 -18.781 9.315 8.066 713 1HG1 VAL 90 1HG1 VAL 90 -17.287 7.433 7.540 714 2HG1 VAL 90 2HG1 VAL 90 -17.276 7.933 5.847 715 3HG1 VAL 90 3HG1 VAL 90 -18.777 7.390 6.597 716 1HG2 VAL 90 1HG2 VAL 90 -16.260 10.199 6.669 717 2HG2 VAL 90 2HG2 VAL 90 -16.346 9.538 8.302 718 3HG2 VAL 90 3HG2 VAL 90 -17.128 11.074 7.931 719 H VAL 91 H VAL 91 -18.033 12.275 5.115 720 HA VAL 91 HA VAL 91 -16.623 10.888 2.936 721 HB VAL 91 HB VAL 91 -17.010 12.880 1.504 722 1HG1 VAL 91 1HG1 VAL 91 -19.354 12.387 0.983 723 2HG1 VAL 91 2HG1 VAL 91 -19.511 11.534 2.518 724 3HG1 VAL 91 3HG1 VAL 91 -18.426 10.916 1.273 725 1HG2 VAL 91 1HG2 VAL 91 -18.789 14.467 2.126 726 2HG2 VAL 91 2HG2 VAL 91 -17.396 14.561 3.204 727 3HG2 VAL 91 3HG2 VAL 91 -18.862 13.732 3.728 728 HA PRO 92 HA PRO 92 -13.143 13.275 4.386 729 1HB PRO 92 1HB PRO 92 -11.541 12.388 2.218 730 2HB PRO 92 2HB PRO 92 -11.611 11.704 3.841 731 1HG PRO 92 1HG PRO 92 -12.460 10.444 1.502 732 2HG PRO 92 2HG PRO 92 -12.886 9.962 3.152 733 1HD PRO 92 1HD PRO 92 -14.469 11.531 1.168 734 2HD PRO 92 2HD PRO 92 -15.020 10.370 2.396 735 HA PRO 93 HA PRO 93 -13.611 16.774 1.602 736 1HB PRO 93 1HB PRO 93 -12.332 18.575 3.163 737 2HB PRO 93 2HB PRO 93 -13.985 18.040 3.485 738 1HG PRO 93 1HG PRO 93 -11.429 17.175 4.768 739 2HG PRO 93 2HG PRO 93 -13.006 17.495 5.514 740 1HD PRO 93 1HD PRO 93 -12.081 14.987 4.948 741 2HD PRO 93 2HD PRO 93 -13.805 15.406 5.008 742 H VAL 94 H VAL 94 -12.052 15.397 0.288 743 HA VAL 94 HA VAL 94 -9.266 15.757 0.481 744 HB VAL 94 HB VAL 94 -10.129 13.874 -0.734 745 1HG1 VAL 94 1HG1 VAL 94 -11.310 14.090 -2.861 746 2HG1 VAL 94 2HG1 VAL 94 -11.305 15.846 -2.688 747 3HG1 VAL 94 3HG1 VAL 94 -12.208 14.849 -1.547 748 1HG2 VAL 94 1HG2 VAL 94 -8.856 14.045 -2.832 749 2HG2 VAL 94 2HG2 VAL 94 -7.961 14.677 -1.450 750 3HG2 VAL 94 3HG2 VAL 94 -8.721 15.789 -2.590 751 H GLY 95 H GLY 95 -8.005 17.372 -0.056 752 1HA GLY 95 1HA GLY 95 -7.523 19.016 -1.921 753 2HA GLY 95 2HA GLY 95 -9.156 19.594 -1.610 754 H ILE 96 H ILE 96 -6.902 18.532 0.854 755 HA ILE 96 HA ILE 96 -7.058 21.191 2.064 756 HB ILE 96 HB ILE 96 -6.041 18.618 3.289 757 1HG1 ILE 96 1HG1 ILE 96 -8.723 19.981 3.629 758 2HG1 ILE 96 2HG1 ILE 96 -8.446 18.503 2.715 759 1HG2 ILE 96 1HG2 ILE 96 -6.759 21.267 4.548 760 2HG2 ILE 96 2HG2 ILE 96 -5.130 20.627 4.333 761 3HG2 ILE 96 3HG2 ILE 96 -6.260 19.815 5.415 762 1HD1 ILE 96 1HD1 ILE 96 -7.744 17.373 4.767 763 2HD1 ILE 96 2HD1 ILE 96 -9.380 18.018 4.897 764 3HD1 ILE 96 3HD1 ILE 96 -8.038 18.855 5.675 765 H THR 97 H THR 97 -5.299 22.460 2.308 766 HA THR 97 HA THR 97 -2.978 22.020 0.797 767 HB THR 97 HB THR 97 -3.312 23.916 3.133 768 HG1 THR 97 HG1 THR 97 -4.335 23.894 0.539 769 1HG2 THR 97 1HG2 THR 97 -1.612 25.253 1.990 770 2HG2 THR 97 2HG2 THR 97 -1.488 24.031 0.725 771 3HG2 THR 97 3HG2 THR 97 -0.989 23.647 2.373 772 H ASN 98 H ASN 98 -1.010 21.214 1.283 773 HA ASN 98 HA ASN 98 -0.690 19.261 3.209 774 1HB ASN 98 1HB ASN 98 0.714 19.489 1.186 775 2HB ASN 98 2HB ASN 98 1.499 20.891 1.902 776 1HD2 ASN 98 1HD2 ASN 98 2.986 20.604 3.543 777 2HD2 ASN 98 2HD2 ASN 98 3.628 19.043 3.961 Start of MODEL 10 1 H MET 1 H MET 1 -18.853 8.469 -6.508 2 HA MET 1 HA MET 1 -18.089 5.703 -5.776 3 1HB MET 1 1HB MET 1 -18.052 7.176 -8.419 4 2HB MET 1 2HB MET 1 -17.370 5.577 -8.156 5 1HG MET 1 1HG MET 1 -20.270 6.339 -7.888 6 2HG MET 1 2HG MET 1 -19.545 5.451 -9.226 7 1HE MET 1 1HE MET 1 -21.651 2.662 -7.514 8 2HE MET 1 2HE MET 1 -21.265 3.483 -9.026 9 3HE MET 1 3HE MET 1 -22.086 4.357 -7.732 10 H LYS 2 H LYS 2 -17.001 8.871 -6.953 11 HA LYS 2 HA LYS 2 -14.222 8.227 -6.670 12 1HB LYS 2 1HB LYS 2 -15.591 10.905 -7.007 13 2HB LYS 2 2HB LYS 2 -13.862 10.619 -7.149 14 1HG LYS 2 1HG LYS 2 -15.966 9.384 -8.914 15 2HG LYS 2 2HG LYS 2 -14.985 10.792 -9.328 16 1HD LYS 2 1HD LYS 2 -13.885 8.067 -8.660 17 2HD LYS 2 2HD LYS 2 -14.129 8.677 -10.297 18 1HE LYS 2 1HE LYS 2 -12.567 10.480 -9.891 19 2HE LYS 2 2HE LYS 2 -12.380 9.975 -8.212 20 1HZ LYS 2 1HZ LYS 2 -10.551 9.222 -9.610 21 2HZ LYS 2 2HZ LYS 2 -11.630 8.353 -10.585 22 3HZ LYS 2 3HZ LYS 2 -11.410 7.909 -8.963 23 H SER 3 H SER 3 -13.021 8.340 -4.887 24 HA SER 3 HA SER 3 -13.436 10.286 -2.859 25 1HB SER 3 1HB SER 3 -15.252 8.661 -2.302 26 2HB SER 3 2HB SER 3 -14.022 7.417 -2.083 27 HG SER 3 HG SER 3 -13.883 9.855 -0.677 28 H SER 4 H SER 4 -11.425 10.816 -2.445 29 HA SER 4 HA SER 4 -9.338 8.766 -2.425 30 1HB SER 4 1HB SER 4 -9.094 11.778 -2.190 31 2HB SER 4 2HB SER 4 -7.768 10.636 -2.410 32 HG SER 4 HG SER 4 -9.677 10.304 -4.304 33 H ILE 5 H ILE 5 -9.176 7.753 -0.538 34 HA ILE 5 HA ILE 5 -10.168 9.053 1.875 35 HB ILE 5 HB ILE 5 -9.321 6.179 1.481 36 1HG1 ILE 5 1HG1 ILE 5 -12.098 7.374 1.360 37 2HG1 ILE 5 2HG1 ILE 5 -11.166 6.854 -0.039 38 1HG2 ILE 5 1HG2 ILE 5 -10.681 5.749 3.474 39 2HG2 ILE 5 2HG2 ILE 5 -11.005 7.477 3.619 40 3HG2 ILE 5 3HG2 ILE 5 -9.361 6.868 3.816 41 1HD1 ILE 5 1HD1 ILE 5 -12.117 5.090 2.203 42 2HD1 ILE 5 2HD1 ILE 5 -11.186 4.564 0.800 43 3HD1 ILE 5 3HD1 ILE 5 -12.818 5.196 0.588 44 HA PRO 6 HA PRO 6 -6.050 9.848 3.384 45 1HB PRO 6 1HB PRO 6 -6.670 10.196 6.010 46 2HB PRO 6 2HB PRO 6 -6.974 11.420 4.773 47 1HG PRO 6 1HG PRO 6 -8.862 9.435 5.977 48 2HG PRO 6 2HG PRO 6 -9.122 11.153 5.621 49 1HD PRO 6 1HD PRO 6 -10.044 9.197 4.009 50 2HD PRO 6 2HD PRO 6 -9.490 10.758 3.374 51 H ILE 7 H ILE 7 -4.470 8.950 4.842 52 HA ILE 7 HA ILE 7 -4.603 6.113 4.787 53 HB ILE 7 HB ILE 7 -2.499 7.374 4.426 54 1HG1 ILE 7 1HG1 ILE 7 -1.052 5.830 5.658 55 2HG1 ILE 7 2HG1 ILE 7 -2.383 5.423 6.738 56 1HG2 ILE 7 1HG2 ILE 7 -1.246 8.229 6.337 57 2HG2 ILE 7 2HG2 ILE 7 -2.599 7.846 7.400 58 3HG2 ILE 7 3HG2 ILE 7 -2.783 9.076 6.150 59 1HD1 ILE 7 1HD1 ILE 7 -3.611 4.490 4.831 60 2HD1 ILE 7 2HD1 ILE 7 -2.060 3.691 5.092 61 3HD1 ILE 7 3HD1 ILE 7 -2.240 4.864 3.787 62 H THR 8 H THR 8 -5.239 8.495 7.232 63 HA THR 8 HA THR 8 -4.943 6.931 9.533 64 HB THR 8 HB THR 8 -5.275 9.358 9.631 65 HG1 THR 8 HG1 THR 8 -6.973 7.617 11.049 66 1HG2 THR 8 1HG2 THR 8 -6.936 9.611 7.858 67 2HG2 THR 8 2HG2 THR 8 -7.515 10.328 9.361 68 3HG2 THR 8 3HG2 THR 8 -8.128 8.759 8.840 69 H GLU 9 H GLU 9 -7.322 6.801 7.052 70 HA GLU 9 HA GLU 9 -9.136 5.194 8.692 71 1HB GLU 9 1HB GLU 9 -9.441 6.155 5.838 72 2HB GLU 9 2HB GLU 9 -10.679 5.361 6.800 73 1HG GLU 9 1HG GLU 9 -9.447 8.032 7.432 74 2HG GLU 9 2HG GLU 9 -10.998 7.791 6.630 75 H VAL 10 H VAL 10 -7.263 5.044 5.691 76 HA VAL 10 HA VAL 10 -8.140 2.423 5.025 77 HB VAL 10 HB VAL 10 -5.853 4.062 3.934 78 1HG1 VAL 10 1HG1 VAL 10 -7.060 1.524 2.835 79 2HG1 VAL 10 2HG1 VAL 10 -5.458 1.674 3.557 80 3HG1 VAL 10 3HG1 VAL 10 -5.829 2.513 2.051 81 1HG2 VAL 10 1HG2 VAL 10 -8.005 5.076 3.532 82 2HG2 VAL 10 2HG2 VAL 10 -8.655 3.544 2.947 83 3HG2 VAL 10 3HG2 VAL 10 -7.406 4.380 2.026 84 H LEU 11 H LEU 11 -5.328 3.676 6.731 85 HA LEU 11 HA LEU 11 -3.647 1.481 6.594 86 1HB LEU 11 1HB LEU 11 -2.712 3.399 7.494 87 2HB LEU 11 2HB LEU 11 -4.040 3.659 8.604 88 HG LEU 11 HG LEU 11 -3.257 1.758 9.961 89 1HD1 LEU 11 1HD1 LEU 11 -0.926 1.740 8.054 90 2HD1 LEU 11 2HD1 LEU 11 -2.141 0.473 8.234 91 3HD1 LEU 11 3HD1 LEU 11 -1.031 0.828 9.558 92 1HD2 LEU 11 1HD2 LEU 11 -2.579 4.009 10.540 93 2HD2 LEU 11 2HD2 LEU 11 -1.207 3.903 9.437 94 3HD2 LEU 11 3HD2 LEU 11 -1.268 2.876 10.869 95 HA PRO 12 HA PRO 12 -5.577 -0.504 10.539 96 1HB PRO 12 1HB PRO 12 -7.930 0.503 11.479 97 2HB PRO 12 2HB PRO 12 -6.344 1.018 12.064 98 1HG PRO 12 1HG PRO 12 -8.143 2.330 10.068 99 2HG PRO 12 2HG PRO 12 -7.197 3.062 11.376 100 1HD PRO 12 1HD PRO 12 -6.373 3.114 8.811 101 2HD PRO 12 2HD PRO 12 -5.239 3.002 10.168 102 H ARG 13 H ARG 13 -7.707 0.761 8.035 103 HA ARG 13 HA ARG 13 -9.475 -1.533 8.253 104 1HB ARG 13 1HB ARG 13 -9.501 0.948 6.550 105 2HB ARG 13 2HB ARG 13 -10.645 -0.365 6.320 106 1HG ARG 13 1HG ARG 13 -11.482 -0.090 8.566 107 2HG ARG 13 2HG ARG 13 -10.270 1.147 8.892 108 1HD ARG 13 1HD ARG 13 -11.262 2.615 7.263 109 2HD ARG 13 2HD ARG 13 -12.398 1.359 6.769 110 HE ARG 13 HE ARG 13 -13.176 1.523 9.212 111 1HH1 ARG 13 1HH1 ARG 13 -11.981 4.222 7.335 112 2HH1 ARG 13 2HH1 ARG 13 -12.862 5.416 8.237 113 1HH2 ARG 13 1HH2 ARG 13 -14.384 3.069 10.356 114 2HH2 ARG 13 2HH2 ARG 13 -14.282 4.751 9.928 115 H ALA 14 H ALA 14 -6.536 -1.240 6.939 116 HA ALA 14 HA ALA 14 -7.123 -2.556 4.403 117 1HB ALA 14 1HB ALA 14 -4.766 -2.329 3.920 118 2HB ALA 14 2HB ALA 14 -4.445 -1.807 5.573 119 3HB ALA 14 3HB ALA 14 -5.400 -0.788 4.498 120 H VAL 15 H VAL 15 -6.098 -4.556 3.811 121 HA VAL 15 HA VAL 15 -5.492 -6.302 6.113 122 HB VAL 15 HB VAL 15 -6.448 -8.188 4.778 123 1HG1 VAL 15 1HG1 VAL 15 -7.724 -7.117 6.571 124 2HG1 VAL 15 2HG1 VAL 15 -8.779 -7.661 5.268 125 3HG1 VAL 15 3HG1 VAL 15 -8.371 -5.952 5.415 126 1HG2 VAL 15 1HG2 VAL 15 -6.309 -7.198 2.562 127 2HG2 VAL 15 2HG2 VAL 15 -7.472 -5.957 3.023 128 3HG2 VAL 15 3HG2 VAL 15 -7.975 -7.645 2.928 129 H GLY 16 H GLY 16 -4.168 -4.801 3.562 130 1HA GLY 16 1HA GLY 16 -1.862 -6.509 3.582 131 2HA GLY 16 2HA GLY 16 -2.719 -6.539 2.044 132 H SER 17 H SER 17 -0.090 -5.599 2.238 133 HA SER 17 HA SER 17 -0.507 -2.894 1.291 134 1HB SER 17 1HB SER 17 1.333 -1.996 2.740 135 2HB SER 17 2HB SER 17 -0.122 -2.446 3.630 136 HG SER 17 HG SER 17 2.391 -3.730 3.520 137 H LEU 18 H LEU 18 0.901 -2.290 -0.243 138 HA LEU 18 HA LEU 18 3.237 -4.013 -0.716 139 1HB LEU 18 1HB LEU 18 1.320 -2.700 -2.579 140 2HB LEU 18 2HB LEU 18 2.993 -2.846 -3.069 141 HG LEU 18 HG LEU 18 1.263 -5.172 -2.247 142 1HD1 LEU 18 1HD1 LEU 18 1.204 -5.734 -4.624 143 2HD1 LEU 18 2HD1 LEU 18 2.081 -4.250 -5.000 144 3HD1 LEU 18 3HD1 LEU 18 0.454 -4.165 -4.325 145 1HD2 LEU 18 1HD2 LEU 18 3.962 -5.078 -3.586 146 2HD2 LEU 18 2HD2 LEU 18 3.050 -6.529 -3.159 147 3HD2 LEU 18 3HD2 LEU 18 3.678 -5.475 -1.890 148 H THR 19 H THR 19 5.058 -3.028 -0.173 149 HA THR 19 HA THR 19 5.120 -0.115 0.016 150 HB THR 19 HB THR 19 7.194 -2.130 0.907 151 HG1 THR 19 HG1 THR 19 6.265 -1.397 3.046 152 1HG2 THR 19 1HG2 THR 19 8.118 0.105 0.528 153 2HG2 THR 19 2HG2 THR 19 8.081 -0.278 2.249 154 3HG2 THR 19 3HG2 THR 19 6.871 0.803 1.558 155 H PHE 20 H PHE 20 5.737 0.953 -1.745 156 HA PHE 20 HA PHE 20 7.878 -0.165 -3.434 157 1HB PHE 20 1HB PHE 20 5.708 1.862 -3.986 158 2HB PHE 20 2HB PHE 20 7.102 1.689 -5.037 159 HD1 PHE 20 HD1 PHE 20 4.838 -0.775 -3.370 160 HD2 PHE 20 HD2 PHE 20 6.485 0.727 -6.990 161 HE1 PHE 20 HE1 PHE 20 3.646 -2.514 -4.639 162 HE2 PHE 20 HE2 PHE 20 5.306 -1.015 -8.260 163 HZ PHE 20 HZ PHE 20 3.881 -2.632 -7.078 164 H ASP 21 H ASP 21 9.542 1.328 -4.160 165 HA ASP 21 HA ASP 21 10.113 3.375 -2.163 166 1HB ASP 21 1HB ASP 21 12.341 3.243 -2.753 167 2HB ASP 21 2HB ASP 21 11.817 1.616 -3.158 168 H GLU 22 H GLU 22 11.358 5.368 -3.341 169 HA GLU 22 HA GLU 22 9.261 6.802 -4.569 170 1HB GLU 22 1HB GLU 22 11.064 8.532 -4.957 171 2HB GLU 22 2HB GLU 22 10.803 8.040 -3.292 172 1HG GLU 22 1HG GLU 22 12.876 6.605 -4.839 173 2HG GLU 22 2HG GLU 22 13.213 8.261 -4.348 174 H ASN 23 H ASN 23 11.703 4.765 -5.887 175 HA ASN 23 HA ASN 23 11.355 5.860 -8.567 176 1HB ASN 23 1HB ASN 23 13.157 3.663 -7.534 177 2HB ASN 23 2HB ASN 23 13.126 4.250 -9.187 178 1HD2 ASN 23 1HD2 ASN 23 14.084 4.887 -5.939 179 2HD2 ASN 23 2HD2 ASN 23 15.068 6.280 -6.277 180 H TYR 24 H TYR 24 9.520 4.093 -6.758 181 HA TYR 24 HA TYR 24 7.698 2.826 -7.192 182 1HB TYR 24 1HB TYR 24 8.516 3.071 -10.095 183 2HB TYR 24 2HB TYR 24 6.950 2.517 -9.508 184 HD1 TYR 24 HD1 TYR 24 5.439 4.126 -8.335 185 HD2 TYR 24 HD2 TYR 24 9.027 5.386 -10.235 186 HE1 TYR 24 HE1 TYR 24 4.639 6.451 -8.293 187 HE2 TYR 24 HE2 TYR 24 8.235 7.714 -10.204 188 HH TYR 24 HH TYR 24 5.614 8.732 -8.341 189 H ASN 25 H ASN 25 10.336 1.613 -6.700 190 HA ASN 25 HA ASN 25 9.989 -0.995 -8.008 191 1HB ASN 25 1HB ASN 25 12.136 -0.057 -6.087 192 2HB ASN 25 2HB ASN 25 12.100 -1.617 -6.899 193 1HD2 ASN 25 1HD2 ASN 25 12.654 1.777 -7.222 194 2HD2 ASN 25 2HD2 ASN 25 13.395 1.713 -8.790 195 H LEU 26 H LEU 26 9.235 -2.768 -6.930 196 HA LEU 26 HA LEU 26 7.864 -2.417 -4.483 197 1HB LEU 26 1HB LEU 26 7.094 -4.013 -6.125 198 2HB LEU 26 2HB LEU 26 8.599 -4.905 -6.018 199 HG LEU 26 HG LEU 26 8.082 -5.619 -3.769 200 1HD1 LEU 26 1HD1 LEU 26 5.594 -3.943 -4.051 201 2HD1 LEU 26 2HD1 LEU 26 6.959 -3.619 -2.982 202 3HD1 LEU 26 3HD1 LEU 26 5.948 -5.040 -2.716 203 1HD2 LEU 26 1HD2 LEU 26 7.193 -6.961 -5.589 204 2HD2 LEU 26 2HD2 LEU 26 5.734 -5.971 -5.627 205 3HD2 LEU 26 3HD2 LEU 26 6.085 -6.969 -4.218 206 H LEU 27 H LEU 27 8.660 -2.404 -2.519 207 HA LEU 27 HA LEU 27 11.313 -3.550 -2.015 208 1HB LEU 27 1HB LEU 27 9.649 -1.711 -0.292 209 2HB LEU 27 2HB LEU 27 11.302 -2.201 0.019 210 HG LEU 27 HG LEU 27 10.398 -0.515 -2.316 211 1HD1 LEU 27 1HD1 LEU 27 10.195 0.677 -0.214 212 2HD1 LEU 27 2HD1 LEU 27 11.556 1.301 -1.146 213 3HD1 LEU 27 3HD1 LEU 27 11.843 0.227 0.223 214 1HD2 LEU 27 1HD2 LEU 27 12.361 -1.873 -2.833 215 2HD2 LEU 27 2HD2 LEU 27 13.161 -1.278 -1.379 216 3HD2 LEU 27 3HD2 LEU 27 12.786 -0.167 -2.696 217 H ASP 28 H ASP 28 8.033 -3.453 -0.636 218 HA ASP 28 HA ASP 28 8.565 -6.032 0.653 219 1HB ASP 28 1HB ASP 28 8.975 -4.414 2.393 220 2HB ASP 28 2HB ASP 28 7.475 -3.572 2.023 221 H THR 29 H THR 29 6.882 -7.397 0.779 222 HA THR 29 HA THR 29 4.245 -6.417 -0.102 223 HB THR 29 HB THR 29 5.382 -9.180 -0.593 224 HG1 THR 29 HG1 THR 29 6.073 -7.011 -1.811 225 1HG2 THR 29 1HG2 THR 29 2.907 -7.800 -1.633 226 2HG2 THR 29 2HG2 THR 29 2.949 -9.117 -0.460 227 3HG2 THR 29 3HG2 THR 29 3.469 -9.400 -2.120 228 H SER 30 H SER 30 2.815 -6.534 1.537 229 HA SER 30 HA SER 30 3.106 -8.729 3.465 230 1HB SER 30 1HB SER 30 2.718 -5.805 4.122 231 2HB SER 30 2HB SER 30 2.530 -7.112 5.292 232 HG SER 30 HG SER 30 4.867 -6.175 4.006 233 H GLY 31 H GLY 31 1.211 -9.347 4.572 234 1HA GLY 31 1HA GLY 31 -1.053 -9.588 4.935 235 2HA GLY 31 2HA GLY 31 -1.310 -8.072 4.083 236 H VAL 32 H VAL 32 -3.065 -8.810 2.917 237 HA VAL 32 HA VAL 32 -3.105 -11.228 1.446 238 HB VAL 32 HB VAL 32 -4.738 -8.744 0.896 239 1HG1 VAL 32 1HG1 VAL 32 -5.245 -11.656 0.304 240 2HG1 VAL 32 2HG1 VAL 32 -4.885 -10.389 -0.871 241 3HG1 VAL 32 3HG1 VAL 32 -6.395 -10.344 0.039 242 1HG2 VAL 32 1HG2 VAL 32 -6.417 -9.702 2.388 243 2HG2 VAL 32 2HG2 VAL 32 -4.912 -9.365 3.245 244 3HG2 VAL 32 3HG2 VAL 32 -5.314 -11.019 2.787 245 H ALA 33 H ALA 33 -1.560 -8.259 0.871 246 HA ALA 33 HA ALA 33 -1.639 -8.095 -1.934 247 1HB ALA 33 1HB ALA 33 0.523 -7.145 -0.056 248 2HB ALA 33 2HB ALA 33 -0.921 -6.242 -0.509 249 3HB ALA 33 3HB ALA 33 0.297 -6.625 -1.726 250 H LYS 34 H LYS 34 -0.110 -10.350 0.094 251 HA LYS 34 HA LYS 34 2.099 -10.979 -1.614 252 1HB LYS 34 1HB LYS 34 0.837 -12.568 0.623 253 2HB LYS 34 2HB LYS 34 2.362 -12.941 -0.158 254 1HG LYS 34 1HG LYS 34 3.289 -10.817 0.638 255 2HG LYS 34 2HG LYS 34 1.761 -10.473 1.453 256 1HD LYS 34 1HD LYS 34 3.557 -12.837 2.001 257 2HD LYS 34 2HD LYS 34 3.433 -11.387 2.999 258 1HE LYS 34 1HE LYS 34 1.128 -11.872 3.499 259 2HE LYS 34 2HE LYS 34 1.136 -13.236 2.384 260 1HZ LYS 34 1HZ LYS 34 1.353 -13.939 4.692 261 2HZ LYS 34 2HZ LYS 34 2.781 -13.036 4.852 262 3HZ LYS 34 3HZ LYS 34 2.728 -14.357 3.791 263 H VAL 35 H VAL 35 -1.213 -12.090 -1.281 264 HA VAL 35 HA VAL 35 -0.716 -14.244 -3.199 265 HB VAL 35 HB VAL 35 -2.964 -15.044 -2.713 266 1HG1 VAL 35 1HG1 VAL 35 -2.642 -15.669 -0.363 267 2HG1 VAL 35 2HG1 VAL 35 -1.387 -14.438 -0.216 268 3HG1 VAL 35 3HG1 VAL 35 -1.153 -15.814 -1.295 269 1HG2 VAL 35 1HG2 VAL 35 -4.344 -14.013 -0.976 270 2HG2 VAL 35 2HG2 VAL 35 -4.083 -12.915 -2.330 271 3HG2 VAL 35 3HG2 VAL 35 -3.179 -12.697 -0.831 272 H ILE 36 H ILE 36 -2.118 -11.110 -2.943 273 HA ILE 36 HA ILE 36 -3.565 -11.160 -5.404 274 HB ILE 36 HB ILE 36 -2.485 -8.911 -3.696 275 1HG1 ILE 36 1HG1 ILE 36 -5.338 -9.729 -4.253 276 2HG1 ILE 36 2HG1 ILE 36 -4.415 -10.313 -2.875 277 1HG2 ILE 36 1HG2 ILE 36 -3.787 -7.353 -5.056 278 2HG2 ILE 36 2HG2 ILE 36 -4.202 -8.663 -6.161 279 3HG2 ILE 36 3HG2 ILE 36 -2.524 -8.139 -6.005 280 1HD1 ILE 36 1HD1 ILE 36 -4.159 -8.005 -2.093 281 2HD1 ILE 36 2HD1 ILE 36 -5.852 -8.488 -2.225 282 3HD1 ILE 36 3HD1 ILE 36 -5.131 -7.450 -3.458 283 H GLU 37 H GLU 37 -2.881 -10.465 -7.446 284 HA GLU 37 HA GLU 37 -0.165 -10.903 -8.095 285 1HB GLU 37 1HB GLU 37 -0.752 -10.166 -10.339 286 2HB GLU 37 2HB GLU 37 -1.999 -11.233 -9.708 287 1HG GLU 37 1HG GLU 37 -3.377 -9.282 -9.168 288 2HG GLU 37 2HG GLU 37 -2.131 -8.230 -9.840 289 H LYS 38 H LYS 38 1.397 -9.387 -8.887 290 HA LYS 38 HA LYS 38 1.463 -7.084 -7.182 291 1HB LYS 38 1HB LYS 38 3.392 -8.424 -9.017 292 2HB LYS 38 2HB LYS 38 3.693 -6.746 -8.584 293 1HG LYS 38 1HG LYS 38 4.830 -8.475 -7.144 294 2HG LYS 38 2HG LYS 38 3.877 -7.265 -6.283 295 1HD LYS 38 1HD LYS 38 1.993 -8.908 -6.225 296 2HD LYS 38 2HD LYS 38 3.087 -10.110 -6.907 297 1HE LYS 38 1HE LYS 38 3.696 -8.623 -4.364 298 2HE LYS 38 2HE LYS 38 2.774 -10.126 -4.382 299 1HZ LYS 38 1HZ LYS 38 5.557 -9.766 -5.372 300 2HZ LYS 38 2HZ LYS 38 4.662 -11.207 -5.454 301 3HZ LYS 38 3HZ LYS 38 5.087 -10.564 -3.948 302 H SER 39 H SER 39 1.207 -7.640 -10.669 303 HA SER 39 HA SER 39 0.153 -6.416 -12.278 304 1HB SER 39 1HB SER 39 -1.535 -6.213 -10.378 305 2HB SER 39 2HB SER 39 -0.839 -4.631 -10.041 306 HG SER 39 HG SER 39 -2.072 -5.467 -12.466 307 HA PRO 40 HA PRO 40 2.765 -2.829 -13.131 308 1HB PRO 40 1HB PRO 40 0.668 -1.673 -14.808 309 2HB PRO 40 2HB PRO 40 2.242 -2.316 -15.279 310 1HG PRO 40 1HG PRO 40 -0.075 -3.556 -15.899 311 2HG PRO 40 2HG PRO 40 1.428 -4.442 -15.589 312 1HD PRO 40 1HD PRO 40 -0.913 -3.990 -13.776 313 2HD PRO 40 2HD PRO 40 0.045 -5.463 -14.032 314 H ILE 41 H ILE 41 1.362 -2.625 -10.736 315 HA ILE 41 HA ILE 41 -0.430 -0.480 -10.517 316 HB ILE 41 HB ILE 41 1.432 -1.600 -8.414 317 1HG1 ILE 41 1HG1 ILE 41 -1.447 -2.223 -9.092 318 2HG1 ILE 41 2HG1 ILE 41 -0.069 -3.285 -9.346 319 1HG2 ILE 41 1HG2 ILE 41 -1.043 0.097 -8.095 320 2HG2 ILE 41 2HG2 ILE 41 0.616 0.613 -7.790 321 3HG2 ILE 41 3HG2 ILE 41 -0.118 -0.635 -6.784 322 1HD1 ILE 41 1HD1 ILE 41 -1.111 -2.354 -6.682 323 2HD1 ILE 41 2HD1 ILE 41 0.280 -3.411 -6.933 324 3HD1 ILE 41 3HD1 ILE 41 -1.338 -3.952 -7.393 325 H ALA 42 H ALA 42 3.046 -0.548 -10.687 326 HA ALA 42 HA ALA 42 3.714 1.870 -9.482 327 1HB ALA 42 1HB ALA 42 5.385 0.264 -10.225 328 2HB ALA 42 2HB ALA 42 5.708 1.862 -10.899 329 3HB ALA 42 3HB ALA 42 4.987 0.609 -11.908 330 H GLU 43 H GLU 43 2.382 1.218 -12.650 331 HA GLU 43 HA GLU 43 2.734 3.805 -13.751 332 1HB GLU 43 1HB GLU 43 2.263 1.744 -15.069 333 2HB GLU 43 2HB GLU 43 0.629 1.738 -14.421 334 1HG GLU 43 1HG GLU 43 0.666 2.649 -16.661 335 2HG GLU 43 2HG GLU 43 0.188 3.884 -15.497 336 H ILE 44 H ILE 44 0.211 2.317 -11.807 337 HA ILE 44 HA ILE 44 -1.541 4.596 -12.088 338 HB ILE 44 HB ILE 44 -1.866 2.387 -10.062 339 1HG1 ILE 44 1HG1 ILE 44 -1.492 1.338 -12.262 340 2HG1 ILE 44 2HG1 ILE 44 -3.158 1.138 -11.736 341 1HG2 ILE 44 1HG2 ILE 44 -3.842 4.133 -11.530 342 2HG2 ILE 44 2HG2 ILE 44 -3.335 4.324 -9.852 343 3HG2 ILE 44 3HG2 ILE 44 -4.244 2.894 -10.341 344 1HD1 ILE 44 1HD1 ILE 44 -3.839 2.956 -13.217 345 2HD1 ILE 44 2HD1 ILE 44 -3.040 1.655 -14.100 346 3HD1 ILE 44 3HD1 ILE 44 -2.167 3.146 -13.746 347 H ILE 45 H ILE 45 0.886 3.432 -9.872 348 HA ILE 45 HA ILE 45 0.283 5.067 -7.655 349 HB ILE 45 HB ILE 45 2.976 4.025 -8.554 350 1HG1 ILE 45 1HG1 ILE 45 1.025 2.994 -6.481 351 2HG1 ILE 45 2HG1 ILE 45 1.349 2.253 -8.044 352 1HG2 ILE 45 1HG2 ILE 45 2.154 5.194 -5.898 353 2HG2 ILE 45 2HG2 ILE 45 3.225 5.949 -7.079 354 3HG2 ILE 45 3HG2 ILE 45 3.718 4.464 -6.264 355 1HD1 ILE 45 1HD1 ILE 45 3.656 1.823 -7.357 356 2HD1 ILE 45 2HD1 ILE 45 2.496 1.079 -6.256 357 3HD1 ILE 45 3HD1 ILE 45 3.323 2.567 -5.791 358 H ARG 46 H ARG 46 2.389 5.605 -10.476 359 HA ARG 46 HA ARG 46 3.214 8.191 -9.690 360 1HB ARG 46 1HB ARG 46 3.861 8.464 -12.068 361 2HB ARG 46 2HB ARG 46 4.506 7.009 -11.335 362 1HG ARG 46 1HG ARG 46 2.686 5.734 -12.413 363 2HG ARG 46 2HG ARG 46 2.171 7.217 -13.218 364 1HD ARG 46 1HD ARG 46 4.836 5.840 -13.518 365 2HD ARG 46 2HD ARG 46 3.535 5.875 -14.706 366 HE ARG 46 HE ARG 46 4.959 8.314 -13.834 367 1HH1 ARG 46 1HH1 ARG 46 3.490 6.336 -16.335 368 2HH1 ARG 46 2HH1 ARG 46 4.049 7.355 -17.628 369 1HH2 ARG 46 1HH2 ARG 46 5.670 9.655 -15.539 370 2HH2 ARG 46 2HH2 ARG 46 5.274 9.243 -17.185 371 H LYS 47 H LYS 47 0.543 7.027 -11.695 372 HA LYS 47 HA LYS 47 -0.436 9.522 -12.511 373 1HB LYS 47 1HB LYS 47 -1.934 6.954 -11.975 374 2HB LYS 47 2HB LYS 47 -2.633 8.362 -12.761 375 1HG LYS 47 1HG LYS 47 -0.900 8.164 -14.524 376 2HG LYS 47 2HG LYS 47 -0.371 6.659 -13.767 377 1HD LYS 47 1HD LYS 47 -2.635 5.738 -14.077 378 2HD LYS 47 2HD LYS 47 -3.111 7.229 -14.892 379 1HE LYS 47 1HE LYS 47 -1.223 6.794 -16.511 380 2HE LYS 47 2HE LYS 47 -1.084 5.195 -15.785 381 1HZ LYS 47 1HZ LYS 47 -3.374 4.744 -16.412 382 2HZ LYS 47 2HZ LYS 47 -2.450 5.158 -17.774 383 3HZ LYS 47 3HZ LYS 47 -3.514 6.291 -17.096 384 H SER 48 H SER 48 -1.305 7.538 -9.691 385 HA SER 48 HA SER 48 -3.164 9.399 -8.651 386 1HB SER 48 1HB SER 48 -3.003 8.026 -6.580 387 2HB SER 48 2HB SER 48 -3.293 7.061 -8.025 388 HG SER 48 HG SER 48 -1.288 6.277 -7.940 389 H ASN 49 H ASN 49 0.288 9.069 -8.420 390 HA ASN 49 HA ASN 49 0.699 10.637 -6.111 391 1HB ASN 49 1HB ASN 49 2.506 9.288 -6.956 392 2HB ASN 49 2HB ASN 49 2.459 10.110 -8.512 393 1HD2 ASN 49 1HD2 ASN 49 3.597 11.948 -8.795 394 2HD2 ASN 49 2HD2 ASN 49 4.566 12.687 -7.561 395 H ALA 50 H ALA 50 0.266 11.432 -9.502 396 HA ALA 50 HA ALA 50 0.698 14.252 -9.099 397 1HB ALA 50 1HB ALA 50 -0.512 12.778 -11.437 398 2HB ALA 50 2HB ALA 50 1.183 13.230 -11.256 399 3HB ALA 50 3HB ALA 50 -0.051 14.480 -11.421 400 H GLU 51 H GLU 51 -1.970 12.052 -8.954 401 HA GLU 51 HA GLU 51 -4.056 13.988 -9.206 402 1HB GLU 51 1HB GLU 51 -4.076 11.182 -8.080 403 2HB GLU 51 2HB GLU 51 -5.514 12.156 -8.340 404 1HG GLU 51 1HG GLU 51 -3.604 11.265 -10.487 405 2HG GLU 51 2HG GLU 51 -5.155 10.514 -10.114 406 H LEU 52 H LEU 52 -2.377 12.484 -6.484 407 HA LEU 52 HA LEU 52 -3.725 14.340 -4.666 408 1HB LEU 52 1HB LEU 52 -4.054 12.451 -3.056 409 2HB LEU 52 2HB LEU 52 -5.065 12.391 -4.486 410 HG LEU 52 HG LEU 52 -3.416 10.739 -5.459 411 1HD1 LEU 52 1HD1 LEU 52 -1.987 9.518 -3.940 412 2HD1 LEU 52 2HD1 LEU 52 -2.454 10.579 -2.609 413 3HD1 LEU 52 3HD1 LEU 52 -1.531 11.222 -3.968 414 1HD2 LEU 52 1HD2 LEU 52 -4.887 9.993 -2.948 415 2HD2 LEU 52 2HD2 LEU 52 -4.329 8.873 -4.191 416 3HD2 LEU 52 3HD2 LEU 52 -5.563 10.077 -4.575 417 H GLY 53 H GLY 53 -2.756 13.972 -2.355 418 1HA GLY 53 1HA GLY 53 0.101 13.275 -2.545 419 2HA GLY 53 2HA GLY 53 -0.415 14.751 -1.738 420 H ARG 54 H ARG 54 -2.430 14.140 -0.180 421 HA ARG 54 HA ARG 54 -1.128 12.409 1.781 422 1HB ARG 54 1HB ARG 54 -1.794 14.722 2.378 423 2HB ARG 54 2HB ARG 54 -3.475 14.289 2.102 424 1HG ARG 54 1HG ARG 54 -3.006 14.267 4.458 425 2HG ARG 54 2HG ARG 54 -3.310 12.619 3.904 426 1HD ARG 54 1HD ARG 54 -0.919 12.182 3.836 427 2HD ARG 54 2HD ARG 54 -0.587 13.842 4.325 428 HE ARG 54 HE ARG 54 -2.267 12.486 6.193 429 1HH1 ARG 54 1HH1 ARG 54 1.057 12.895 5.164 430 2HH1 ARG 54 2HH1 ARG 54 1.726 12.470 6.714 431 1HH2 ARG 54 1HH2 ARG 54 -1.392 11.933 8.240 432 2HH2 ARG 54 2HH2 ARG 54 0.331 11.964 8.469 433 H LEU 55 H LEU 55 -3.721 12.255 -0.407 434 HA LEU 55 HA LEU 55 -5.278 10.431 1.254 435 1HB LEU 55 1HB LEU 55 -5.869 11.560 -1.482 436 2HB LEU 55 2HB LEU 55 -6.943 10.514 -0.572 437 HG LEU 55 HG LEU 55 -7.820 12.654 -0.265 438 1HD1 LEU 55 1HD1 LEU 55 -6.053 12.151 2.120 439 2HD1 LEU 55 2HD1 LEU 55 -7.650 11.458 1.834 440 3HD1 LEU 55 3HD1 LEU 55 -7.475 13.194 2.091 441 1HD2 LEU 55 1HD2 LEU 55 -5.978 13.942 -1.186 442 2HD2 LEU 55 2HD2 LEU 55 -5.035 13.668 0.279 443 3HD2 LEU 55 3HD2 LEU 55 -6.515 14.628 0.348 444 H GLY 56 H GLY 56 -6.271 8.524 -0.010 445 1HA GLY 56 1HA GLY 56 -4.112 7.203 -1.533 446 2HA GLY 56 2HA GLY 56 -5.167 6.362 -0.403 447 H TYR 57 H TYR 57 -4.595 6.950 -3.579 448 HA TYR 57 HA TYR 57 -7.372 6.971 -4.465 449 1HB TYR 57 1HB TYR 57 -5.633 8.367 -5.591 450 2HB TYR 57 2HB TYR 57 -4.821 6.894 -6.097 451 HD1 TYR 57 HD1 TYR 57 -5.382 5.911 -8.137 452 HD2 TYR 57 HD2 TYR 57 -8.067 8.686 -6.356 453 HE1 TYR 57 HE1 TYR 57 -6.765 5.865 -10.170 454 HE2 TYR 57 HE2 TYR 57 -9.461 8.645 -8.381 455 HH TYR 57 HH TYR 57 -9.117 6.317 -10.813 456 H SER 58 H SER 58 -8.412 5.250 -5.375 457 HA SER 58 HA SER 58 -7.454 2.636 -4.886 458 1HB SER 58 1HB SER 58 -9.666 3.431 -6.790 459 2HB SER 58 2HB SER 58 -9.478 1.893 -5.945 460 HG SER 58 HG SER 58 -10.961 3.705 -5.098 461 H VAL 59 H VAL 59 -5.776 1.796 -5.939 462 HA VAL 59 HA VAL 59 -5.338 2.550 -8.738 463 HB VAL 59 HB VAL 59 -3.048 1.706 -8.450 464 1HG1 VAL 59 1HG1 VAL 59 -2.250 3.482 -7.039 465 2HG1 VAL 59 2HG1 VAL 59 -3.826 3.622 -6.258 466 3HG1 VAL 59 3HG1 VAL 59 -3.640 4.057 -7.960 467 1HG2 VAL 59 1HG2 VAL 59 -3.857 1.228 -5.583 468 2HG2 VAL 59 2HG2 VAL 59 -2.221 1.096 -6.230 469 3HG2 VAL 59 3HG2 VAL 59 -3.478 -0.017 -6.772 470 H TYR 60 H TYR 60 -5.841 -0.219 -6.651 471 HA TYR 60 HA TYR 60 -6.122 -1.867 -9.067 472 1HB TYR 60 1HB TYR 60 -3.984 -2.423 -7.977 473 2HB TYR 60 2HB TYR 60 -4.831 -2.729 -6.466 474 HD1 TYR 60 HD1 TYR 60 -4.312 -3.944 -9.911 475 HD2 TYR 60 HD2 TYR 60 -5.933 -4.809 -6.074 476 HE1 TYR 60 HE1 TYR 60 -4.618 -6.291 -10.579 477 HE2 TYR 60 HE2 TYR 60 -6.246 -7.161 -6.732 478 HH TYR 60 HH TYR 60 -4.853 -8.482 -9.567 479 H GLU 61 H GLU 61 -8.316 -1.935 -9.111 480 HA GLU 61 HA GLU 61 -9.687 -2.786 -6.665 481 1HB GLU 61 1HB GLU 61 -10.590 -0.776 -7.717 482 2HB GLU 61 2HB GLU 61 -10.809 -1.645 -9.230 483 1HG GLU 61 1HG GLU 61 -12.451 -3.094 -8.173 484 2HG GLU 61 2HG GLU 61 -12.206 -2.266 -6.636 485 H ASP 62 H ASP 62 -10.055 -4.845 -6.443 486 HA ASP 62 HA ASP 62 -10.736 -6.451 -8.817 487 1HB ASP 62 1HB ASP 62 -8.569 -7.135 -7.779 488 2HB ASP 62 2HB ASP 62 -9.407 -7.399 -6.253 489 H ALA 63 H ALA 63 -12.200 -8.360 -8.117 490 HA ALA 63 HA ALA 63 -14.477 -7.275 -6.837 491 1HB ALA 63 1HB ALA 63 -14.631 -8.977 -8.594 492 2HB ALA 63 2HB ALA 63 -15.467 -9.481 -7.126 493 3HB ALA 63 3HB ALA 63 -13.884 -10.154 -7.515 494 H GLN 64 H GLN 64 -11.693 -8.902 -5.665 495 HA GLN 64 HA GLN 64 -12.956 -9.661 -3.149 496 1HB GLN 64 1HB GLN 64 -10.043 -9.819 -3.929 497 2HB GLN 64 2HB GLN 64 -10.819 -10.628 -2.575 498 1HG GLN 64 1HG GLN 64 -11.983 -12.099 -3.996 499 2HG GLN 64 2HG GLN 64 -11.582 -11.147 -5.426 500 1HE2 GLN 64 1HE2 GLN 64 -9.429 -11.149 -6.175 501 2HE2 GLN 64 2HE2 GLN 64 -8.377 -12.487 -5.835 502 H TYR 65 H TYR 65 -10.182 -7.638 -4.138 503 HA TYR 65 HA TYR 65 -10.583 -6.015 -1.721 504 1HB TYR 65 1HB TYR 65 -7.874 -6.976 -2.670 505 2HB TYR 65 2HB TYR 65 -8.214 -6.047 -1.217 506 HD1 TYR 65 HD1 TYR 65 -8.084 -9.341 -2.702 507 HD2 TYR 65 HD2 TYR 65 -9.386 -7.141 0.695 508 HE1 TYR 65 HE1 TYR 65 -8.298 -11.435 -1.437 509 HE2 TYR 65 HE2 TYR 65 -9.605 -9.231 1.973 510 HH TYR 65 HH TYR 65 -9.980 -11.710 1.412 511 H ILE 66 H ILE 66 -9.361 -3.955 -1.799 512 HA ILE 66 HA ILE 66 -8.823 -3.020 -4.533 513 HB ILE 66 HB ILE 66 -10.374 -1.493 -2.435 514 1HG1 ILE 66 1HG1 ILE 66 -11.240 -2.535 -5.141 515 2HG1 ILE 66 2HG1 ILE 66 -11.685 -3.241 -3.590 516 1HG2 ILE 66 1HG2 ILE 66 -9.556 -0.674 -5.222 517 2HG2 ILE 66 2HG2 ILE 66 -8.886 -0.041 -3.720 518 3HG2 ILE 66 3HG2 ILE 66 -10.575 0.262 -4.128 519 1HD1 ILE 66 1HD1 ILE 66 -12.863 -1.182 -2.999 520 2HD1 ILE 66 2HD1 ILE 66 -13.485 -1.886 -4.491 521 3HD1 ILE 66 3HD1 ILE 66 -12.417 -0.484 -4.556 522 H GLY 67 H GLY 67 -6.885 -2.157 -4.690 523 1HA GLY 67 1HA GLY 67 -5.404 -1.471 -2.265 524 2HA GLY 67 2HA GLY 67 -4.730 -1.663 -3.875 525 H HIS 68 H HIS 68 -4.583 0.531 -1.815 526 HA HIS 68 HA HIS 68 -5.403 2.740 -3.588 527 1HB HIS 68 1HB HIS 68 -5.297 2.921 -0.568 528 2HB HIS 68 2HB HIS 68 -5.915 4.126 -1.687 529 HD1 HIS 68 HD1 HIS 68 -8.282 3.628 -2.761 530 HD2 HIS 68 HD2 HIS 68 -7.089 0.988 0.219 531 HE1 HIS 68 HE1 HIS 68 -10.367 2.414 -2.059 532 HE2 HIS 68 HE2 HIS 68 -9.655 0.989 -0.104 533 H ALA 69 H ALA 69 -3.761 4.087 -4.155 534 HA ALA 69 HA ALA 69 -1.127 3.567 -3.046 535 1HB ALA 69 1HB ALA 69 -1.991 5.472 -5.218 536 2HB ALA 69 2HB ALA 69 -1.297 3.862 -5.442 537 3HB ALA 69 3HB ALA 69 -0.322 5.155 -4.743 538 H PHE 70 H PHE 70 -0.281 4.622 -1.423 539 HA PHE 70 HA PHE 70 -1.248 7.341 -0.838 540 1HB PHE 70 1HB PHE 70 -0.274 5.153 0.992 541 2HB PHE 70 2HB PHE 70 -0.354 6.836 1.505 542 HD1 PHE 70 HD1 PHE 70 -2.324 3.922 0.447 543 HD2 PHE 70 HD2 PHE 70 -2.416 7.876 2.010 544 HE1 PHE 70 HE1 PHE 70 -4.697 3.636 1.017 545 HE2 PHE 70 HE2 PHE 70 -4.788 7.597 2.583 546 HZ PHE 70 HZ PHE 70 -5.931 5.480 2.082 547 H LYS 71 H LYS 71 0.207 8.948 -0.682 548 HA LYS 71 HA LYS 71 2.963 8.379 -1.327 549 1HB LYS 71 1HB LYS 71 1.331 10.851 -1.009 550 2HB LYS 71 2HB LYS 71 3.069 10.978 -0.778 551 1HG LYS 71 1HG LYS 71 2.741 11.524 -3.006 552 2HG LYS 71 2HG LYS 71 3.279 9.851 -3.054 553 1HD LYS 71 1HD LYS 71 0.352 10.377 -2.957 554 2HD LYS 71 2HD LYS 71 1.203 10.691 -4.469 555 1HE LYS 71 1HE LYS 71 2.046 8.392 -4.465 556 2HE LYS 71 2HE LYS 71 1.196 8.081 -2.953 557 1HZ LYS 71 1HZ LYS 71 -0.006 7.283 -4.932 558 2HZ LYS 71 2HZ LYS 71 -0.128 8.872 -5.489 559 3HZ LYS 71 3HZ LYS 71 -0.892 8.420 -4.049 560 H LYS 72 H LYS 72 4.392 7.858 0.124 561 HA LYS 72 HA LYS 72 3.794 8.396 2.958 562 1HB LYS 72 1HB LYS 72 5.546 6.247 1.743 563 2HB LYS 72 2HB LYS 72 5.181 6.436 3.453 564 1HG LYS 72 1HG LYS 72 3.102 5.907 1.346 565 2HG LYS 72 2HG LYS 72 3.890 4.647 2.294 566 1HD LYS 72 1HD LYS 72 2.295 6.936 3.445 567 2HD LYS 72 2HD LYS 72 1.681 5.301 3.195 568 1HE LYS 72 1HE LYS 72 3.510 4.466 4.672 569 2HE LYS 72 2HE LYS 72 3.933 6.143 5.013 570 1HZ LYS 72 1HZ LYS 72 2.505 5.158 6.724 571 2HZ LYS 72 2HZ LYS 72 1.293 4.913 5.571 572 3HZ LYS 72 3HZ LYS 72 1.769 6.492 5.975 573 H ALA 73 H ALA 73 6.128 8.141 4.183 574 HA ALA 73 HA ALA 73 7.492 10.526 3.558 575 1HB ALA 73 1HB ALA 73 7.385 9.594 5.820 576 2HB ALA 73 2HB ALA 73 9.046 9.901 5.313 577 3HB ALA 73 3HB ALA 73 8.413 8.255 5.311 578 H GLY 74 H GLY 74 8.258 10.519 1.486 579 1HA GLY 74 1HA GLY 74 9.837 10.233 -0.151 580 2HA GLY 74 2HA GLY 74 10.829 9.414 1.042 581 H HIS 75 H HIS 75 7.690 8.105 0.553 582 HA HIS 75 HA HIS 75 8.699 6.082 -1.298 583 1HB HIS 75 1HB HIS 75 7.751 5.534 1.506 584 2HB HIS 75 2HB HIS 75 7.694 4.300 0.252 585 HD1 HIS 75 HD1 HIS 75 9.605 4.783 2.989 586 HD2 HIS 75 HD2 HIS 75 10.639 4.637 -1.040 587 HE1 HIS 75 HE1 HIS 75 12.039 4.153 2.929 588 HE2 HIS 75 HE2 HIS 75 12.656 4.095 0.486 589 H PHE 76 H PHE 76 6.919 4.452 -1.785 590 HA PHE 76 HA PHE 76 4.274 5.738 -1.755 591 1HB PHE 76 1HB PHE 76 5.542 4.252 -4.069 592 2HB PHE 76 2HB PHE 76 3.889 4.857 -4.035 593 HD1 PHE 76 HD1 PHE 76 3.651 7.425 -3.592 594 HD2 PHE 76 HD2 PHE 76 7.194 5.542 -5.008 595 HE1 PHE 76 HE1 PHE 76 4.420 9.570 -4.514 596 HE2 PHE 76 HE2 PHE 76 7.970 7.689 -5.928 597 HZ PHE 76 HZ PHE 76 6.579 9.707 -5.682 598 H ILE 77 H ILE 77 2.832 4.440 -0.756 599 HA ILE 77 HA ILE 77 3.350 1.546 -0.880 600 HB ILE 77 HB ILE 77 2.394 3.072 1.545 601 1HG1 ILE 77 1HG1 ILE 77 4.963 1.573 0.978 602 2HG1 ILE 77 2HG1 ILE 77 4.790 3.315 1.164 603 1HG2 ILE 77 1HG2 ILE 77 2.790 0.111 1.120 604 2HG2 ILE 77 2HG2 ILE 77 1.268 0.944 1.445 605 3HG2 ILE 77 3HG2 ILE 77 2.518 0.872 2.688 606 1HD1 ILE 77 1HD1 ILE 77 4.118 2.978 3.498 607 2HD1 ILE 77 2HD1 ILE 77 5.729 2.341 3.161 608 3HD1 ILE 77 3HD1 ILE 77 4.356 1.242 3.300 609 H VAL 78 H VAL 78 1.698 0.288 -1.374 610 HA VAL 78 HA VAL 78 -0.911 1.574 -1.806 611 HB VAL 78 HB VAL 78 0.165 -1.002 -2.977 612 1HG1 VAL 78 1HG1 VAL 78 -1.784 -0.893 -4.459 613 2HG1 VAL 78 2HG1 VAL 78 -2.364 0.525 -3.584 614 3HG1 VAL 78 3HG1 VAL 78 -2.257 -1.034 -2.765 615 1HG2 VAL 78 1HG2 VAL 78 -0.173 1.727 -4.221 616 2HG2 VAL 78 2HG2 VAL 78 0.281 0.259 -5.089 617 3HG2 VAL 78 3HG2 VAL 78 1.354 0.924 -3.856 618 H TYR 79 H TYR 79 -2.250 1.261 -0.167 619 HA TYR 79 HA TYR 79 -2.049 -1.134 1.465 620 1HB TYR 79 1HB TYR 79 -3.706 1.378 1.732 621 2HB TYR 79 2HB TYR 79 -3.764 0.039 2.864 622 HD1 TYR 79 HD1 TYR 79 -2.227 -0.081 4.646 623 HD2 TYR 79 HD2 TYR 79 -1.470 2.577 1.413 624 HE1 TYR 79 HE1 TYR 79 -0.358 0.908 5.901 625 HE2 TYR 79 HE2 TYR 79 0.403 3.562 2.653 626 HH TYR 79 HH TYR 79 1.785 2.170 5.357 627 H PHE 80 H PHE 80 -3.264 -2.851 1.111 628 HA PHE 80 HA PHE 80 -5.482 -2.668 -0.772 629 1HB PHE 80 1HB PHE 80 -3.877 -4.970 0.324 630 2HB PHE 80 2HB PHE 80 -5.351 -5.215 -0.600 631 HD1 PHE 80 HD1 PHE 80 -1.893 -3.998 -0.733 632 HD2 PHE 80 HD2 PHE 80 -5.412 -4.875 -2.956 633 HE1 PHE 80 HE1 PHE 80 -0.611 -3.825 -2.824 634 HE2 PHE 80 HE2 PHE 80 -4.137 -4.705 -5.053 635 HZ PHE 80 HZ PHE 80 -1.733 -4.179 -4.990 636 H THR 81 H THR 81 -7.448 -2.485 -0.057 637 HA THR 81 HA THR 81 -8.105 -3.425 2.657 638 HB THR 81 HB THR 81 -10.034 -1.859 2.501 639 HG1 THR 81 HG1 THR 81 -9.036 -1.617 -0.076 640 1HG2 THR 81 1HG2 THR 81 -7.971 -1.128 3.580 641 2HG2 THR 81 2HG2 THR 81 -8.733 0.213 2.724 642 3HG2 THR 81 3HG2 THR 81 -7.332 -0.598 2.024 643 HA PRO 82 HA PRO 82 -10.954 -6.342 0.817 644 1HB PRO 82 1HB PRO 82 -12.744 -6.637 2.815 645 2HB PRO 82 2HB PRO 82 -11.101 -7.280 2.926 646 1HG PRO 82 1HG PRO 82 -12.240 -4.780 4.107 647 2HG PRO 82 2HG PRO 82 -11.137 -5.960 4.837 648 1HD PRO 82 1HD PRO 82 -10.318 -3.580 3.777 649 2HD PRO 82 2HD PRO 82 -9.292 -5.024 3.848 650 H LYS 83 H LYS 83 -11.384 -4.152 -0.479 651 HA LYS 83 HA LYS 83 -12.787 -2.619 -1.387 652 1HB LYS 83 1HB LYS 83 -14.566 -4.956 -0.826 653 2HB LYS 83 2HB LYS 83 -15.286 -3.458 -1.403 654 1HG LYS 83 1HG LYS 83 -13.843 -3.520 -3.371 655 2HG LYS 83 2HG LYS 83 -13.117 -5.019 -2.791 656 1HD LYS 83 1HD LYS 83 -15.107 -6.229 -3.097 657 2HD LYS 83 2HD LYS 83 -16.073 -4.759 -3.242 658 1HE LYS 83 1HE LYS 83 -13.933 -5.548 -5.209 659 2HE LYS 83 2HE LYS 83 -15.631 -5.984 -5.397 660 1HZ LYS 83 1HZ LYS 83 -16.208 -3.654 -5.459 661 2HZ LYS 83 2HZ LYS 83 -15.041 -3.986 -6.648 662 3HZ LYS 83 3HZ LYS 83 -14.591 -3.208 -5.213 663 H ASN 84 H ASN 84 -12.119 -1.474 0.698 664 HA ASN 84 HA ASN 84 -14.138 -1.209 2.718 665 1HB ASN 84 1HB ASN 84 -12.589 -0.017 3.923 666 2HB ASN 84 2HB ASN 84 -11.499 -0.885 2.851 667 1HD2 ASN 84 1HD2 ASN 84 -12.779 2.163 3.774 668 2HD2 ASN 84 2HD2 ASN 84 -11.791 3.138 2.739 669 H LYS 85 H LYS 85 -15.169 0.787 3.264 670 HA LYS 85 HA LYS 85 -16.378 2.644 2.894 671 1HB LYS 85 1HB LYS 85 -14.224 3.607 2.081 672 2HB LYS 85 2HB LYS 85 -14.656 3.108 0.454 673 1HG LYS 85 1HG LYS 85 -16.671 4.749 1.828 674 2HG LYS 85 2HG LYS 85 -15.141 5.558 1.489 675 1HD LYS 85 1HD LYS 85 -16.806 4.084 -0.552 676 2HD LYS 85 2HD LYS 85 -16.814 5.832 -0.318 677 1HE LYS 85 1HE LYS 85 -14.459 5.943 -0.897 678 2HE LYS 85 2HE LYS 85 -14.390 4.189 -1.047 679 1HZ LYS 85 1HZ LYS 85 -16.106 5.950 -2.723 680 2HZ LYS 85 2HZ LYS 85 -15.864 4.276 -2.913 681 3HZ LYS 85 3HZ LYS 85 -14.590 5.355 -3.193 682 H ASN 86 H ASN 86 -18.049 1.114 2.551 683 HA ASN 86 HA ASN 86 -19.120 1.240 -0.191 684 1HB ASN 86 1HB ASN 86 -18.906 -1.053 0.921 685 2HB ASN 86 2HB ASN 86 -20.137 -0.515 2.058 686 1HD2 ASN 86 1HD2 ASN 86 -20.192 -2.703 0.133 687 2HD2 ASN 86 2HD2 ASN 86 -21.558 -2.404 -0.898 688 H ARG 87 H ARG 87 -20.803 2.564 -0.518 689 HA ARG 87 HA ARG 87 -22.300 4.226 -0.152 690 1HB ARG 87 1HB ARG 87 -22.985 2.394 1.821 691 2HB ARG 87 2HB ARG 87 -22.746 3.889 2.717 692 1HG ARG 87 1HG ARG 87 -25.054 3.699 2.078 693 2HG ARG 87 2HG ARG 87 -24.307 5.019 1.172 694 1HD ARG 87 1HD ARG 87 -23.929 3.379 -0.694 695 2HD ARG 87 2HD ARG 87 -24.932 2.242 0.201 696 HE ARG 87 HE ARG 87 -26.243 4.742 -0.197 697 1HH1 ARG 87 1HH1 ARG 87 -25.470 1.667 -1.671 698 2HH1 ARG 87 2HH1 ARG 87 -26.729 1.775 -2.870 699 1HH2 ARG 87 1HH2 ARG 87 -27.900 4.894 -1.755 700 2HH2 ARG 87 2HH2 ARG 87 -28.118 3.617 -2.917 701 H GLU 88 H GLU 88 -21.108 5.994 -0.375 702 HA GLU 88 HA GLU 88 -18.874 6.520 1.308 703 1HB GLU 88 1HB GLU 88 -20.041 8.392 -0.745 704 2HB GLU 88 2HB GLU 88 -18.378 8.311 -0.176 705 1HG GLU 88 1HG GLU 88 -18.228 6.029 -1.164 706 2HG GLU 88 2HG GLU 88 -19.820 6.290 -1.870 707 H GLY 89 H GLY 89 -20.013 6.679 3.327 708 1HA GLY 89 1HA GLY 89 -21.415 9.195 3.804 709 2HA GLY 89 2HA GLY 89 -21.185 7.892 4.965 710 H VAL 90 H VAL 90 -18.594 7.487 5.140 711 HA VAL 90 HA VAL 90 -17.584 9.877 6.359 712 HB VAL 90 HB VAL 90 -17.107 7.756 7.425 713 1HG1 VAL 90 1HG1 VAL 90 -15.628 7.027 4.905 714 2HG1 VAL 90 2HG1 VAL 90 -17.104 6.279 5.516 715 3HG1 VAL 90 3HG1 VAL 90 -15.591 6.104 6.406 716 1HG2 VAL 90 1HG2 VAL 90 -14.650 7.935 7.659 717 2HG2 VAL 90 2HG2 VAL 90 -15.473 9.491 7.769 718 3HG2 VAL 90 3HG2 VAL 90 -14.632 9.041 6.286 719 H VAL 91 H VAL 91 -16.370 11.380 5.449 720 HA VAL 91 HA VAL 91 -15.091 10.761 2.869 721 HB VAL 91 HB VAL 91 -15.375 13.163 2.289 722 1HG1 VAL 91 1HG1 VAL 91 -17.791 13.031 1.803 723 2HG1 VAL 91 2HG1 VAL 91 -17.909 11.641 2.882 724 3HG1 VAL 91 3HG1 VAL 91 -16.936 11.539 1.415 725 1HG2 VAL 91 1HG2 VAL 91 -16.924 14.551 3.549 726 2HG2 VAL 91 2HG2 VAL 91 -15.583 14.040 4.576 727 3HG2 VAL 91 3HG2 VAL 91 -17.154 13.253 4.721 728 HA PRO 92 HA PRO 92 -11.079 11.854 4.342 729 1HB PRO 92 1HB PRO 92 -10.493 13.790 2.362 730 2HB PRO 92 2HB PRO 92 -10.057 12.083 2.343 731 1HG PRO 92 1HG PRO 92 -12.288 13.477 0.990 732 2HG PRO 92 2HG PRO 92 -11.417 12.006 0.517 733 1HD PRO 92 1HD PRO 92 -13.922 11.934 1.498 734 2HD PRO 92 2HD PRO 92 -12.742 10.646 1.821 735 HA PRO 93 HA PRO 93 -12.083 15.590 6.684 736 1HB PRO 93 1HB PRO 93 -9.543 14.888 8.014 737 2HB PRO 93 2HB PRO 93 -11.147 15.125 8.713 738 1HG PRO 93 1HG PRO 93 -10.057 12.685 8.516 739 2HG PRO 93 2HG PRO 93 -11.798 12.945 8.286 740 1HD PRO 93 1HD PRO 93 -9.653 12.552 6.234 741 2HD PRO 93 2HD PRO 93 -11.296 11.880 6.287 742 H VAL 94 H VAL 94 -11.685 17.166 5.196 743 HA VAL 94 HA VAL 94 -8.894 17.894 4.680 744 HB VAL 94 HB VAL 94 -9.851 19.231 2.790 745 1HG1 VAL 94 1HG1 VAL 94 -8.829 17.080 2.371 746 2HG1 VAL 94 2HG1 VAL 94 -10.232 17.287 1.323 747 3HG1 VAL 94 3HG1 VAL 94 -10.344 16.260 2.752 748 1HG2 VAL 94 1HG2 VAL 94 -12.113 18.692 2.010 749 2HG2 VAL 94 2HG2 VAL 94 -12.131 19.457 3.600 750 3HG2 VAL 94 3HG2 VAL 94 -12.366 17.715 3.456 751 H GLY 95 H GLY 95 -8.876 20.423 4.108 752 1HA GLY 95 1HA GLY 95 -10.545 22.122 5.641 753 2HA GLY 95 2HA GLY 95 -9.075 21.766 6.539 754 H ILE 96 H ILE 96 -7.500 23.189 6.281 755 HA ILE 96 HA ILE 96 -7.475 24.793 3.814 756 HB ILE 96 HB ILE 96 -6.051 26.390 5.016 757 1HG1 ILE 96 1HG1 ILE 96 -6.509 24.625 7.435 758 2HG1 ILE 96 2HG1 ILE 96 -4.987 24.768 6.563 759 1HG2 ILE 96 1HG2 ILE 96 -8.483 26.664 5.037 760 2HG2 ILE 96 2HG2 ILE 96 -7.749 27.277 6.519 761 3HG2 ILE 96 3HG2 ILE 96 -8.575 25.719 6.523 762 1HD1 ILE 96 1HD1 ILE 96 -6.386 26.997 8.023 763 2HD1 ILE 96 2HD1 ILE 96 -4.845 27.115 7.175 764 3HD1 ILE 96 3HD1 ILE 96 -4.989 26.093 8.606 765 H THR 97 H THR 97 -5.475 25.178 2.752 766 HA THR 97 HA THR 97 -3.656 22.898 3.024 767 HB THR 97 HB THR 97 -4.677 23.281 0.798 768 HG1 THR 97 HG1 THR 97 -2.418 23.564 -0.263 769 1HG2 THR 97 1HG2 THR 97 -4.847 25.709 0.842 770 2HG2 THR 97 2HG2 THR 97 -3.924 25.184 -0.565 771 3HG2 THR 97 3HG2 THR 97 -3.090 25.848 0.841 772 H ASN 98 H ASN 98 -1.358 23.263 2.846 773 HA ASN 98 HA ASN 98 -0.554 25.806 4.073 774 1HB ASN 98 1HB ASN 98 -0.036 23.656 5.279 775 2HB ASN 98 2HB ASN 98 1.008 23.213 3.933 776 1HD2 ASN 98 1HD2 ASN 98 1.631 23.617 6.746 777 2HD2 ASN 98 2HD2 ASN 98 2.853 24.850 6.800 Start of MODEL 11 1 H MET 1 H MET 1 -13.833 6.908 -6.099 2 HA MET 1 HA MET 1 -11.823 7.189 -7.367 3 1HB MET 1 1HB MET 1 -12.828 6.601 -9.554 4 2HB MET 1 2HB MET 1 -13.682 8.136 -9.557 5 1HG MET 1 1HG MET 1 -11.641 9.354 -9.722 6 2HG MET 1 2HG MET 1 -10.686 7.895 -9.463 7 1HE MET 1 1HE MET 1 -11.387 5.881 -12.749 8 2HE MET 1 2HE MET 1 -12.261 5.772 -11.221 9 3HE MET 1 3HE MET 1 -10.503 5.912 -11.224 10 H LYS 2 H LYS 2 -14.756 9.088 -7.121 11 HA LYS 2 HA LYS 2 -13.464 11.616 -6.896 12 1HB LYS 2 1HB LYS 2 -15.751 11.662 -7.492 13 2HB LYS 2 2HB LYS 2 -16.206 10.601 -6.170 14 1HG LYS 2 1HG LYS 2 -16.945 12.865 -5.746 15 2HG LYS 2 2HG LYS 2 -15.716 12.392 -4.573 16 1HD LYS 2 1HD LYS 2 -15.259 14.635 -5.276 17 2HD LYS 2 2HD LYS 2 -14.027 13.578 -5.966 18 1HE LYS 2 1HE LYS 2 -15.183 13.586 -8.101 19 2HE LYS 2 2HE LYS 2 -16.470 14.584 -7.420 20 1HZ LYS 2 1HZ LYS 2 -13.619 15.390 -7.656 21 2HZ LYS 2 2HZ LYS 2 -14.882 16.352 -7.054 22 3HZ LYS 2 3HZ LYS 2 -14.866 15.897 -8.689 23 H SER 3 H SER 3 -14.777 9.327 -4.513 24 HA SER 3 HA SER 3 -13.675 10.938 -2.360 25 1HB SER 3 1HB SER 3 -15.272 8.373 -2.216 26 2HB SER 3 2HB SER 3 -14.903 9.454 -0.873 27 HG SER 3 HG SER 3 -16.930 9.581 -2.610 28 H SER 4 H SER 4 -11.471 10.652 -2.590 29 HA SER 4 HA SER 4 -10.412 7.965 -2.191 30 1HB SER 4 1HB SER 4 -9.016 10.616 -2.638 31 2HB SER 4 2HB SER 4 -8.186 9.075 -2.414 32 HG SER 4 HG SER 4 -8.817 9.974 -4.674 33 H ILE 5 H ILE 5 -9.274 7.379 -0.333 34 HA ILE 5 HA ILE 5 -10.329 8.825 1.998 35 HB ILE 5 HB ILE 5 -9.458 5.930 1.860 36 1HG1 ILE 5 1HG1 ILE 5 -12.256 7.061 1.617 37 2HG1 ILE 5 2HG1 ILE 5 -11.322 6.384 0.287 38 1HG2 ILE 5 1HG2 ILE 5 -10.794 5.686 3.893 39 2HG2 ILE 5 2HG2 ILE 5 -11.174 7.407 3.852 40 3HG2 ILE 5 3HG2 ILE 5 -9.512 6.878 4.108 41 1HD1 ILE 5 1HD1 ILE 5 -12.233 4.887 2.735 42 2HD1 ILE 5 2HD1 ILE 5 -11.323 4.212 1.384 43 3HD1 ILE 5 3HD1 ILE 5 -12.966 4.802 1.134 44 HA PRO 6 HA PRO 6 -6.128 9.673 3.246 45 1HB PRO 6 1HB PRO 6 -6.579 10.230 5.864 46 2HB PRO 6 2HB PRO 6 -6.974 11.356 4.561 47 1HG PRO 6 1HG PRO 6 -8.762 9.474 6.048 48 2HG PRO 6 2HG PRO 6 -9.056 11.157 5.570 49 1HD PRO 6 1HD PRO 6 -10.061 9.056 4.196 50 2HD PRO 6 2HD PRO 6 -9.604 10.580 3.410 51 H ILE 7 H ILE 7 -4.495 8.872 4.726 52 HA ILE 7 HA ILE 7 -4.612 6.045 4.803 53 HB ILE 7 HB ILE 7 -2.533 7.324 4.367 54 1HG1 ILE 7 1HG1 ILE 7 -1.048 5.835 5.632 55 2HG1 ILE 7 2HG1 ILE 7 -2.372 5.432 6.723 56 1HG2 ILE 7 1HG2 ILE 7 -2.610 7.891 7.324 57 2HG2 ILE 7 2HG2 ILE 7 -2.790 9.075 6.030 58 3HG2 ILE 7 3HG2 ILE 7 -1.256 8.229 6.245 59 1HD1 ILE 7 1HD1 ILE 7 -2.024 3.675 5.100 60 2HD1 ILE 7 2HD1 ILE 7 -2.247 4.823 3.779 61 3HD1 ILE 7 3HD1 ILE 7 -3.594 4.439 4.853 62 H THR 8 H THR 8 -5.257 8.505 7.176 63 HA THR 8 HA THR 8 -4.900 7.002 9.519 64 HB THR 8 HB THR 8 -5.246 9.464 9.467 65 HG1 THR 8 HG1 THR 8 -7.246 8.265 11.109 66 1HG2 THR 8 1HG2 THR 8 -7.077 9.571 7.858 67 2HG2 THR 8 2HG2 THR 8 -7.532 10.357 9.370 68 3HG2 THR 8 3HG2 THR 8 -8.141 8.745 8.995 69 H GLU 9 H GLU 9 -7.292 6.776 7.075 70 HA GLU 9 HA GLU 9 -9.019 5.137 8.789 71 1HB GLU 9 1HB GLU 9 -9.454 6.355 6.061 72 2HB GLU 9 2HB GLU 9 -10.573 5.216 6.796 73 1HG GLU 9 1HG GLU 9 -9.786 7.864 7.986 74 2HG GLU 9 2HG GLU 9 -11.256 7.566 7.058 75 H VAL 10 H VAL 10 -7.263 5.082 5.711 76 HA VAL 10 HA VAL 10 -8.088 2.440 5.060 77 HB VAL 10 HB VAL 10 -5.858 4.119 3.909 78 1HG1 VAL 10 1HG1 VAL 10 -5.459 1.738 3.510 79 2HG1 VAL 10 2HG1 VAL 10 -5.883 2.580 2.019 80 3HG1 VAL 10 3HG1 VAL 10 -7.081 1.578 2.838 81 1HG2 VAL 10 1HG2 VAL 10 -8.029 5.116 3.583 82 2HG2 VAL 10 2HG2 VAL 10 -8.687 3.583 3.012 83 3HG2 VAL 10 3HG2 VAL 10 -7.476 4.434 2.053 84 H LEU 11 H LEU 11 -5.286 3.742 6.745 85 HA LEU 11 HA LEU 11 -3.549 1.594 6.564 86 1HB LEU 11 1HB LEU 11 -2.661 3.513 7.508 87 2HB LEU 11 2HB LEU 11 -3.997 3.714 8.621 88 HG LEU 11 HG LEU 11 -3.171 1.812 9.946 89 1HD1 LEU 11 1HD1 LEU 11 -2.027 0.580 8.194 90 2HD1 LEU 11 2HD1 LEU 11 -0.926 0.932 9.525 91 3HD1 LEU 11 3HD1 LEU 11 -0.838 1.874 8.037 92 1HD2 LEU 11 1HD2 LEU 11 -2.535 4.082 10.538 93 2HD2 LEU 11 2HD2 LEU 11 -1.145 3.992 9.457 94 3HD2 LEU 11 3HD2 LEU 11 -1.220 2.959 10.884 95 HA PRO 12 HA PRO 12 -5.434 -0.552 10.423 96 1HB PRO 12 1HB PRO 12 -7.770 0.390 11.449 97 2HB PRO 12 2HB PRO 12 -6.179 0.911 12.014 98 1HG PRO 12 1HG PRO 12 -8.050 2.262 10.110 99 2HG PRO 12 2HG PRO 12 -7.081 2.965 11.418 100 1HD PRO 12 1HD PRO 12 -6.332 3.103 8.825 101 2HD PRO 12 2HD PRO 12 -5.162 2.995 10.153 102 H ARG 13 H ARG 13 -7.634 0.789 8.016 103 HA ARG 13 HA ARG 13 -9.422 -1.482 8.206 104 1HB ARG 13 1HB ARG 13 -9.387 0.927 6.394 105 2HB ARG 13 2HB ARG 13 -10.607 -0.330 6.326 106 1HG ARG 13 1HG ARG 13 -11.284 0.184 8.614 107 2HG ARG 13 2HG ARG 13 -10.043 1.437 8.698 108 1HD ARG 13 1HD ARG 13 -11.119 2.619 6.842 109 2HD ARG 13 2HD ARG 13 -12.361 1.373 6.769 110 HE ARG 13 HE ARG 13 -11.976 3.099 9.133 111 1HH1 ARG 13 1HH1 ARG 13 -14.036 1.506 6.789 112 2HH1 ARG 13 2HH1 ARG 13 -15.507 2.181 7.431 113 1HH2 ARG 13 1HH2 ARG 13 -13.915 3.995 9.985 114 2HH2 ARG 13 2HH2 ARG 13 -15.433 3.580 9.247 115 H ALA 14 H ALA 14 -6.471 -1.165 6.835 116 HA ALA 14 HA ALA 14 -7.117 -2.577 4.358 117 1HB ALA 14 1HB ALA 14 -4.783 -2.254 3.759 118 2HB ALA 14 2HB ALA 14 -4.448 -1.590 5.359 119 3HB ALA 14 3HB ALA 14 -5.512 -0.726 4.250 120 H VAL 15 H VAL 15 -6.251 -4.592 3.826 121 HA VAL 15 HA VAL 15 -5.369 -6.204 6.136 122 HB VAL 15 HB VAL 15 -6.408 -8.155 4.988 123 1HG1 VAL 15 1HG1 VAL 15 -7.597 -7.006 6.776 124 2HG1 VAL 15 2HG1 VAL 15 -8.727 -7.574 5.547 125 3HG1 VAL 15 3HG1 VAL 15 -8.278 -5.871 5.610 126 1HG2 VAL 15 1HG2 VAL 15 -8.021 -7.757 3.189 127 2HG2 VAL 15 2HG2 VAL 15 -6.392 -7.285 2.706 128 3HG2 VAL 15 3HG2 VAL 15 -7.571 -6.054 3.159 129 H GLY 16 H GLY 16 -4.219 -4.777 3.504 130 1HA GLY 16 1HA GLY 16 -1.978 -6.600 3.326 131 2HA GLY 16 2HA GLY 16 -2.906 -6.429 1.838 132 H SER 17 H SER 17 -0.142 -5.642 2.263 133 HA SER 17 HA SER 17 -0.422 -2.857 1.487 134 1HB SER 17 1HB SER 17 1.505 -2.280 3.088 135 2HB SER 17 2HB SER 17 -0.098 -2.495 3.790 136 HG SER 17 HG SER 17 2.196 -3.959 4.154 137 H LEU 18 H LEU 18 0.772 -2.436 -0.207 138 HA LEU 18 HA LEU 18 3.191 -4.039 -0.690 139 1HB LEU 18 1HB LEU 18 1.213 -2.736 -2.487 140 2HB LEU 18 2HB LEU 18 2.882 -2.801 -3.014 141 HG LEU 18 HG LEU 18 1.275 -5.224 -2.223 142 1HD1 LEU 18 1HD1 LEU 18 0.323 -4.197 -4.216 143 2HD1 LEU 18 2HD1 LEU 18 1.154 -5.698 -4.622 144 3HD1 LEU 18 3HD1 LEU 18 1.918 -4.146 -4.965 145 1HD2 LEU 18 1HD2 LEU 18 3.084 -6.461 -3.265 146 2HD2 LEU 18 2HD2 LEU 18 3.713 -5.437 -1.974 147 3HD2 LEU 18 3HD2 LEU 18 3.911 -4.955 -3.661 148 H THR 19 H THR 19 5.013 -3.058 -0.193 149 HA THR 19 HA THR 19 5.056 -0.147 0.041 150 HB THR 19 HB THR 19 7.165 -2.142 0.881 151 HG1 THR 19 HG1 THR 19 4.840 -1.964 1.896 152 1HG2 THR 19 1HG2 THR 19 6.732 0.753 1.636 153 2HG2 THR 19 2HG2 THR 19 8.007 0.142 0.583 154 3HG2 THR 19 3HG2 THR 19 7.983 -0.308 2.287 155 H PHE 20 H PHE 20 5.695 0.956 -1.656 156 HA PHE 20 HA PHE 20 7.675 -0.188 -3.506 157 1HB PHE 20 1HB PHE 20 5.548 1.926 -3.864 158 2HB PHE 20 2HB PHE 20 6.859 1.718 -5.014 159 HD1 PHE 20 HD1 PHE 20 6.545 0.373 -6.811 160 HD2 PHE 20 HD2 PHE 20 4.172 -0.243 -3.339 161 HE1 PHE 20 HE1 PHE 20 5.235 -1.323 -8.017 162 HE2 PHE 20 HE2 PHE 20 2.852 -1.938 -4.540 163 HZ PHE 20 HZ PHE 20 3.386 -2.474 -6.875 164 H ASP 21 H ASP 21 9.341 1.170 -4.277 165 HA ASP 21 HA ASP 21 10.222 3.191 -2.394 166 1HB ASP 21 1HB ASP 21 11.861 1.597 -3.260 167 2HB ASP 21 2HB ASP 21 11.494 2.082 -4.909 168 H GLU 22 H GLU 22 11.107 5.301 -3.386 169 HA GLU 22 HA GLU 22 8.986 6.641 -4.665 170 1HB GLU 22 1HB GLU 22 10.554 8.541 -4.797 171 2HB GLU 22 2HB GLU 22 10.486 7.828 -3.195 172 1HG GLU 22 1HG GLU 22 12.574 6.641 -3.638 173 2HG GLU 22 2HG GLU 22 12.642 7.366 -5.244 174 H ASN 23 H ASN 23 11.668 4.849 -5.870 175 HA ASN 23 HA ASN 23 11.411 5.907 -8.557 176 1HB ASN 23 1HB ASN 23 13.112 3.706 -7.382 177 2HB ASN 23 2HB ASN 23 13.123 4.141 -9.083 178 1HD2 ASN 23 1HD2 ASN 23 14.012 5.083 -5.872 179 2HD2 ASN 23 2HD2 ASN 23 15.047 6.398 -6.330 180 H TYR 24 H TYR 24 9.346 4.242 -6.934 181 HA TYR 24 HA TYR 24 7.524 3.041 -7.514 182 1HB TYR 24 1HB TYR 24 8.543 3.258 -10.350 183 2HB TYR 24 2HB TYR 24 6.899 2.865 -9.853 184 HD1 TYR 24 HD1 TYR 24 9.011 5.442 -10.931 185 HD2 TYR 24 HD2 TYR 24 5.783 4.680 -8.268 186 HE1 TYR 24 HE1 TYR 24 8.468 7.838 -10.920 187 HE2 TYR 24 HE2 TYR 24 5.222 7.076 -8.255 188 HH TYR 24 HH TYR 24 6.542 9.276 -8.674 189 H ASN 25 H ASN 25 10.204 1.729 -7.042 190 HA ASN 25 HA ASN 25 9.639 -0.843 -8.325 191 1HB ASN 25 1HB ASN 25 11.878 -1.535 -7.472 192 2HB ASN 25 2HB ASN 25 11.939 -0.181 -8.592 193 1HD2 ASN 25 1HD2 ASN 25 12.526 1.824 -7.859 194 2HD2 ASN 25 2HD2 ASN 25 13.247 2.079 -6.306 195 H LEU 26 H LEU 26 9.070 -2.628 -7.160 196 HA LEU 26 HA LEU 26 7.832 -2.211 -4.660 197 1HB LEU 26 1HB LEU 26 7.024 -3.879 -6.214 198 2HB LEU 26 2HB LEU 26 8.541 -4.755 -6.115 199 HG LEU 26 HG LEU 26 8.097 -5.320 -3.784 200 1HD1 LEU 26 1HD1 LEU 26 6.859 -3.333 -3.136 201 2HD1 LEU 26 2HD1 LEU 26 5.934 -4.790 -2.768 202 3HD1 LEU 26 3HD1 LEU 26 5.518 -3.810 -4.177 203 1HD2 LEU 26 1HD2 LEU 26 6.193 -6.812 -4.136 204 2HD2 LEU 26 2HD2 LEU 26 7.286 -6.823 -5.521 205 3HD2 LEU 26 3HD2 LEU 26 5.769 -5.926 -5.601 206 H LEU 27 H LEU 27 8.492 -2.496 -2.643 207 HA LEU 27 HA LEU 27 11.225 -3.488 -2.185 208 1HB LEU 27 1HB LEU 27 9.514 -1.726 -0.426 209 2HB LEU 27 2HB LEU 27 11.170 -2.204 -0.105 210 HG LEU 27 HG LEU 27 10.303 -0.495 -2.438 211 1HD1 LEU 27 1HD1 LEU 27 11.590 0.266 0.181 212 2HD1 LEU 27 2HD1 LEU 27 9.954 0.674 -0.342 213 3HD1 LEU 27 3HD1 LEU 27 11.346 1.345 -1.192 214 1HD2 LEU 27 1HD2 LEU 27 13.037 -1.185 -1.366 215 2HD2 LEU 27 2HD2 LEU 27 12.698 -0.065 -2.685 216 3HD2 LEU 27 3HD2 LEU 27 12.331 -1.780 -2.868 217 H ASP 28 H ASP 28 8.020 -3.380 -0.616 218 HA ASP 28 HA ASP 28 8.591 -6.008 0.575 219 1HB ASP 28 1HB ASP 28 9.041 -4.373 2.298 220 2HB ASP 28 2HB ASP 28 7.504 -3.572 1.995 221 H THR 29 H THR 29 6.946 -7.414 0.610 222 HA THR 29 HA THR 29 4.266 -6.433 -0.130 223 HB THR 29 HB THR 29 5.334 -9.199 -0.689 224 HG1 THR 29 HG1 THR 29 6.582 -7.697 -1.863 225 1HG2 THR 29 1HG2 THR 29 2.920 -9.032 -0.675 226 2HG2 THR 29 2HG2 THR 29 3.485 -9.224 -2.336 227 3HG2 THR 29 3HG2 THR 29 2.980 -7.637 -1.753 228 H SER 30 H SER 30 2.889 -6.600 1.559 229 HA SER 30 HA SER 30 3.126 -8.945 3.311 230 1HB SER 30 1HB SER 30 2.807 -6.087 4.263 231 2HB SER 30 2HB SER 30 2.767 -7.520 5.292 232 HG SER 30 HG SER 30 4.945 -6.377 3.896 233 H GLY 31 H GLY 31 1.173 -9.353 4.592 234 1HA GLY 31 1HA GLY 31 -1.100 -9.531 4.872 235 2HA GLY 31 2HA GLY 31 -1.273 -8.014 4.000 236 H VAL 32 H VAL 32 -3.099 -8.832 2.925 237 HA VAL 32 HA VAL 32 -3.118 -11.199 1.387 238 HB VAL 32 HB VAL 32 -4.793 -8.727 0.929 239 1HG1 VAL 32 1HG1 VAL 32 -4.901 -10.383 -0.874 240 2HG1 VAL 32 2HG1 VAL 32 -6.429 -10.273 0.003 241 3HG1 VAL 32 3HG1 VAL 32 -5.337 -11.626 0.301 242 1HG2 VAL 32 1HG2 VAL 32 -6.431 -9.748 2.429 243 2HG2 VAL 32 2HG2 VAL 32 -4.910 -9.417 3.261 244 3HG2 VAL 32 3HG2 VAL 32 -5.304 -11.064 2.763 245 H ALA 33 H ALA 33 -1.609 -8.213 0.860 246 HA ALA 33 HA ALA 33 -1.775 -7.991 -1.944 247 1HB ALA 33 1HB ALA 33 0.067 -6.441 -1.768 248 2HB ALA 33 2HB ALA 33 0.432 -7.008 -0.141 249 3HB ALA 33 3HB ALA 33 -1.077 -6.153 -0.460 250 H LYS 34 H LYS 34 -0.175 -10.259 -0.011 251 HA LYS 34 HA LYS 34 2.042 -10.765 -1.748 252 1HB LYS 34 1HB LYS 34 0.834 -12.422 0.469 253 2HB LYS 34 2HB LYS 34 2.324 -12.813 -0.373 254 1HG LYS 34 1HG LYS 34 3.244 -10.623 0.396 255 2HG LYS 34 2HG LYS 34 1.795 -10.436 1.385 256 1HD LYS 34 1HD LYS 34 3.711 -12.757 1.571 257 2HD LYS 34 2HD LYS 34 3.742 -11.346 2.629 258 1HE LYS 34 1HE LYS 34 1.479 -11.870 3.395 259 2HE LYS 34 2HE LYS 34 1.439 -13.272 2.325 260 1HZ LYS 34 1HZ LYS 34 3.125 -14.327 3.573 261 2HZ LYS 34 2HZ LYS 34 2.011 -13.737 4.707 262 3HZ LYS 34 3HZ LYS 34 3.473 -12.919 4.454 263 H VAL 35 H VAL 35 -1.227 -12.022 -1.419 264 HA VAL 35 HA VAL 35 -0.668 -14.089 -3.405 265 HB VAL 35 HB VAL 35 -2.935 -14.913 -2.986 266 1HG1 VAL 35 1HG1 VAL 35 -1.372 -14.409 -0.458 267 2HG1 VAL 35 2HG1 VAL 35 -1.112 -15.728 -1.600 268 3HG1 VAL 35 3HG1 VAL 35 -2.611 -15.647 -0.675 269 1HG2 VAL 35 1HG2 VAL 35 -4.306 -13.949 -1.188 270 2HG2 VAL 35 2HG2 VAL 35 -4.069 -12.816 -2.519 271 3HG2 VAL 35 3HG2 VAL 35 -3.148 -12.627 -1.026 272 H ILE 36 H ILE 36 -2.020 -10.953 -3.160 273 HA ILE 36 HA ILE 36 -3.472 -11.043 -5.639 274 HB ILE 36 HB ILE 36 -2.522 -8.734 -3.932 275 1HG1 ILE 36 1HG1 ILE 36 -5.329 -9.746 -4.409 276 2HG1 ILE 36 2HG1 ILE 36 -4.339 -10.268 -3.052 277 1HG2 ILE 36 1HG2 ILE 36 -3.952 -7.293 -5.293 278 2HG2 ILE 36 2HG2 ILE 36 -4.317 -8.653 -6.354 279 3HG2 ILE 36 3HG2 ILE 36 -2.673 -8.023 -6.264 280 1HD1 ILE 36 1HD1 ILE 36 -5.221 -7.449 -3.620 281 2HD1 ILE 36 2HD1 ILE 36 -4.218 -7.961 -2.263 282 3HD1 ILE 36 3HD1 ILE 36 -5.885 -8.525 -2.390 283 H GLU 37 H GLU 37 -2.721 -10.593 -7.650 284 HA GLU 37 HA GLU 37 0.012 -10.729 -8.220 285 1HB GLU 37 1HB GLU 37 -0.660 -10.007 -10.529 286 2HB GLU 37 2HB GLU 37 -1.539 -11.393 -9.905 287 1HG GLU 37 1HG GLU 37 -3.434 -9.957 -9.365 288 2HG GLU 37 2HG GLU 37 -2.552 -8.559 -9.977 289 H LYS 38 H LYS 38 1.569 -9.271 -8.516 290 HA LYS 38 HA LYS 38 1.433 -6.839 -7.164 291 1HB LYS 38 1HB LYS 38 3.409 -8.095 -9.010 292 2HB LYS 38 2HB LYS 38 3.606 -6.395 -8.612 293 1HG LYS 38 1HG LYS 38 4.928 -7.901 -7.172 294 2HG LYS 38 2HG LYS 38 3.786 -6.903 -6.274 295 1HD LYS 38 1HD LYS 38 2.245 -8.788 -6.115 296 2HD LYS 38 2HD LYS 38 3.354 -9.788 -7.052 297 1HE LYS 38 1HE LYS 38 4.077 -8.495 -4.430 298 2HE LYS 38 2HE LYS 38 3.438 -10.131 -4.566 299 1HZ LYS 38 1HZ LYS 38 5.329 -10.780 -5.853 300 2HZ LYS 38 2HZ LYS 38 5.887 -10.034 -4.437 301 3HZ LYS 38 3HZ LYS 38 5.920 -9.192 -5.908 302 H SER 39 H SER 39 1.113 -7.540 -10.607 303 HA SER 39 HA SER 39 0.138 -6.370 -12.297 304 1HB SER 39 1HB SER 39 -0.873 -4.562 -10.084 305 2HB SER 39 2HB SER 39 -1.516 -4.661 -11.723 306 HG SER 39 HG SER 39 -1.551 -6.672 -9.715 307 HA PRO 40 HA PRO 40 2.685 -2.735 -13.134 308 1HB PRO 40 1HB PRO 40 1.233 -1.333 -14.902 309 2HB PRO 40 2HB PRO 40 1.925 -2.904 -15.320 310 1HG PRO 40 1HG PRO 40 -0.876 -2.222 -14.521 311 2HG PRO 40 2HG PRO 40 -0.311 -3.314 -15.798 312 1HD PRO 40 1HD PRO 40 -1.150 -4.151 -13.322 313 2HD PRO 40 2HD PRO 40 -0.011 -5.053 -14.342 314 H ILE 41 H ILE 41 1.168 -2.585 -10.730 315 HA ILE 41 HA ILE 41 -0.475 -0.333 -10.476 316 HB ILE 41 HB ILE 41 1.234 -1.708 -8.394 317 1HG1 ILE 41 1HG1 ILE 41 -1.689 -1.961 -9.119 318 2HG1 ILE 41 2HG1 ILE 41 -0.438 -3.160 -9.422 319 1HG2 ILE 41 1HG2 ILE 41 0.647 0.581 -7.708 320 2HG2 ILE 41 2HG2 ILE 41 -0.153 -0.638 -6.717 321 3HG2 ILE 41 3HG2 ILE 41 -1.057 0.209 -7.972 322 1HD1 ILE 41 1HD1 ILE 41 -0.141 -3.454 -7.017 323 2HD1 ILE 41 2HD1 ILE 41 -1.801 -3.779 -7.518 324 3HD1 ILE 41 3HD1 ILE 41 -1.404 -2.258 -6.718 325 H ALA 42 H ALA 42 3.007 -0.663 -10.421 326 HA ALA 42 HA ALA 42 3.779 1.729 -9.243 327 1HB ALA 42 1HB ALA 42 5.086 0.357 -11.592 328 2HB ALA 42 2HB ALA 42 5.343 -0.043 -9.892 329 3HB ALA 42 3HB ALA 42 5.847 1.528 -10.515 330 H GLU 43 H GLU 43 2.575 1.103 -12.466 331 HA GLU 43 HA GLU 43 3.145 3.646 -13.593 332 1HB GLU 43 1HB GLU 43 2.620 1.588 -14.902 333 2HB GLU 43 2HB GLU 43 0.961 1.682 -14.331 334 1HG GLU 43 1HG GLU 43 1.025 2.569 -16.529 335 2HG GLU 43 2HG GLU 43 0.787 3.916 -15.416 336 H ILE 44 H ILE 44 0.438 2.300 -11.804 337 HA ILE 44 HA ILE 44 -1.222 4.621 -12.185 338 HB ILE 44 HB ILE 44 -1.663 2.484 -10.108 339 1HG1 ILE 44 1HG1 ILE 44 -1.259 1.354 -12.253 340 2HG1 ILE 44 2HG1 ILE 44 -2.952 1.228 -11.786 341 1HG2 ILE 44 1HG2 ILE 44 -4.032 3.034 -10.505 342 2HG2 ILE 44 2HG2 ILE 44 -3.536 4.268 -11.663 343 3HG2 ILE 44 3HG2 ILE 44 -3.103 4.432 -9.961 344 1HD1 ILE 44 1HD1 ILE 44 -3.498 3.040 -13.344 345 2HD1 ILE 44 2HD1 ILE 44 -2.748 1.665 -14.153 346 3HD1 ILE 44 3HD1 ILE 44 -1.804 3.117 -13.826 347 H ILE 45 H ILE 45 1.109 3.481 -9.862 348 HA ILE 45 HA ILE 45 0.401 5.102 -7.677 349 HB ILE 45 HB ILE 45 3.097 3.977 -8.472 350 1HG1 ILE 45 1HG1 ILE 45 1.080 3.145 -6.376 351 2HG1 ILE 45 2HG1 ILE 45 1.371 2.321 -7.906 352 1HG2 ILE 45 1HG2 ILE 45 3.448 5.946 -7.094 353 2HG2 ILE 45 2HG2 ILE 45 3.815 4.486 -6.176 354 3HG2 ILE 45 3HG2 ILE 45 2.298 5.343 -5.902 355 1HD1 ILE 45 1HD1 ILE 45 3.353 2.632 -5.663 356 2HD1 ILE 45 2HD1 ILE 45 3.641 1.800 -7.191 357 3HD1 ILE 45 3HD1 ILE 45 2.445 1.171 -6.057 358 H ARG 46 H ARG 46 2.718 5.645 -10.325 359 HA ARG 46 HA ARG 46 3.448 8.240 -9.509 360 1HB ARG 46 1HB ARG 46 4.224 8.479 -11.894 361 2HB ARG 46 2HB ARG 46 4.911 7.139 -10.994 362 1HG ARG 46 1HG ARG 46 3.210 5.670 -12.089 363 2HG ARG 46 2HG ARG 46 2.787 7.043 -13.110 364 1HD ARG 46 1HD ARG 46 5.510 5.773 -12.894 365 2HD ARG 46 2HD ARG 46 4.368 5.543 -14.215 366 HE ARG 46 HE ARG 46 5.463 8.209 -13.585 367 1HH1 ARG 46 1HH1 ARG 46 4.758 5.642 -15.864 368 2HH1 ARG 46 2HH1 ARG 46 5.433 6.500 -17.223 369 1HH2 ARG 46 1HH2 ARG 46 6.322 9.337 -15.351 370 2HH2 ARG 46 2HH2 ARG 46 6.335 8.601 -16.932 371 H LYS 47 H LYS 47 0.918 7.074 -11.706 372 HA LYS 47 HA LYS 47 -0.010 9.585 -12.551 373 1HB LYS 47 1HB LYS 47 -1.545 7.020 -12.093 374 2HB LYS 47 2HB LYS 47 -2.219 8.440 -12.877 375 1HG LYS 47 1HG LYS 47 -0.410 8.256 -14.588 376 2HG LYS 47 2HG LYS 47 0.047 6.721 -13.848 377 1HD LYS 47 1HD LYS 47 -2.204 5.851 -14.271 378 2HD LYS 47 2HD LYS 47 -2.652 7.384 -15.021 379 1HE LYS 47 1HE LYS 47 -0.805 7.022 -16.665 380 2HE LYS 47 2HE LYS 47 -0.584 5.415 -15.976 381 1HZ LYS 47 1HZ LYS 47 -2.909 4.923 -16.558 382 2HZ LYS 47 2HZ LYS 47 -1.966 5.288 -17.920 383 3HZ LYS 47 3HZ LYS 47 -3.037 6.447 -17.296 384 H SER 48 H SER 48 -1.038 7.578 -9.806 385 HA SER 48 HA SER 48 -2.929 9.400 -8.785 386 1HB SER 48 1HB SER 48 -1.367 7.306 -7.258 387 2HB SER 48 2HB SER 48 -2.907 8.028 -6.794 388 HG SER 48 HG SER 48 -2.417 6.381 -9.058 389 H ASN 49 H ASN 49 0.528 9.124 -8.454 390 HA ASN 49 HA ASN 49 0.828 10.659 -6.097 391 1HB ASN 49 1HB ASN 49 2.643 9.247 -6.848 392 2HB ASN 49 2HB ASN 49 2.747 10.112 -8.376 393 1HD2 ASN 49 1HD2 ASN 49 3.962 11.922 -8.508 394 2HD2 ASN 49 2HD2 ASN 49 4.866 12.578 -7.177 395 H ALA 50 H ALA 50 0.726 11.470 -9.516 396 HA ALA 50 HA ALA 50 1.268 14.249 -9.123 397 1HB ALA 50 1HB ALA 50 0.020 12.827 -11.472 398 2HB ALA 50 2HB ALA 50 1.738 13.156 -11.252 399 3HB ALA 50 3HB ALA 50 0.605 14.490 -11.466 400 H GLU 51 H GLU 51 -1.555 12.222 -9.132 401 HA GLU 51 HA GLU 51 -3.483 14.307 -9.383 402 1HB GLU 51 1HB GLU 51 -3.760 11.499 -8.298 403 2HB GLU 51 2HB GLU 51 -5.100 12.579 -8.651 404 1HG GLU 51 1HG GLU 51 -3.123 11.510 -10.650 405 2HG GLU 51 2HG GLU 51 -4.771 10.933 -10.411 406 H LEU 52 H LEU 52 -2.366 12.385 -6.583 407 HA LEU 52 HA LEU 52 -3.726 14.343 -4.852 408 1HB LEU 52 1HB LEU 52 -4.134 12.421 -3.294 409 2HB LEU 52 2HB LEU 52 -5.035 12.386 -4.794 410 HG LEU 52 HG LEU 52 -3.360 10.747 -5.687 411 1HD1 LEU 52 1HD1 LEU 52 -2.446 10.628 -2.818 412 2HD1 LEU 52 2HD1 LEU 52 -1.505 11.237 -4.180 413 3HD1 LEU 52 3HD1 LEU 52 -1.961 9.532 -4.114 414 1HD2 LEU 52 1HD2 LEU 52 -4.863 9.970 -3.206 415 2HD2 LEU 52 2HD2 LEU 52 -4.268 8.864 -4.445 416 3HD2 LEU 52 3HD2 LEU 52 -5.514 10.050 -4.843 417 H GLY 53 H GLY 53 -3.016 13.610 -2.429 418 1HA GLY 53 1HA GLY 53 -0.103 13.261 -2.362 419 2HA GLY 53 2HA GLY 53 -0.837 14.600 -1.488 420 H ARG 54 H ARG 54 -2.662 13.906 0.033 421 HA ARG 54 HA ARG 54 -1.464 11.902 1.764 422 1HB ARG 54 1HB ARG 54 -2.134 14.242 2.506 423 2HB ARG 54 2HB ARG 54 -3.803 13.696 2.397 424 1HG ARG 54 1HG ARG 54 -3.044 13.560 4.680 425 2HG ARG 54 2HG ARG 54 -3.308 11.933 4.045 426 1HD ARG 54 1HD ARG 54 -0.940 11.655 3.665 427 2HD ARG 54 2HD ARG 54 -0.634 13.315 4.164 428 HE ARG 54 HE ARG 54 -1.844 11.474 6.092 429 1HH1 ARG 54 1HH1 ARG 54 0.861 13.432 5.057 430 2HH1 ARG 54 2HH1 ARG 54 1.747 13.212 6.539 431 1HH2 ARG 54 1HH2 ARG 54 -0.690 11.192 8.044 432 2HH2 ARG 54 2HH2 ARG 54 0.882 11.914 8.222 433 H LEU 55 H LEU 55 -4.067 12.055 -0.417 434 HA LEU 55 HA LEU 55 -5.712 10.157 1.047 435 1HB LEU 55 1HB LEU 55 -6.137 11.391 -1.678 436 2HB LEU 55 2HB LEU 55 -7.269 10.324 -0.868 437 HG LEU 55 HG LEU 55 -8.128 12.490 -0.581 438 1HD1 LEU 55 1HD1 LEU 55 -8.198 11.171 1.449 439 2HD1 LEU 55 2HD1 LEU 55 -8.021 12.886 1.821 440 3HD1 LEU 55 3HD1 LEU 55 -6.628 11.810 1.937 441 1HD2 LEU 55 1HD2 LEU 55 -5.389 13.393 0.301 442 2HD2 LEU 55 2HD2 LEU 55 -6.846 14.388 0.281 443 3HD2 LEU 55 3HD2 LEU 55 -6.173 13.779 -1.232 444 H GLY 56 H GLY 56 -6.498 8.193 -0.055 445 1HA GLY 56 1HA GLY 56 -4.316 6.966 -1.609 446 2HA GLY 56 2HA GLY 56 -5.417 6.091 -0.554 447 H TYR 57 H TYR 57 -4.841 7.299 -3.683 448 HA TYR 57 HA TYR 57 -7.451 7.071 -4.778 449 1HB TYR 57 1HB TYR 57 -5.625 8.358 -5.844 450 2HB TYR 57 2HB TYR 57 -4.747 6.865 -6.134 451 HD1 TYR 57 HD1 TYR 57 -5.237 5.511 -8.022 452 HD2 TYR 57 HD2 TYR 57 -7.750 8.808 -7.075 453 HE1 TYR 57 HE1 TYR 57 -6.310 5.312 -10.221 454 HE2 TYR 57 HE2 TYR 57 -8.839 8.616 -9.273 455 HH TYR 57 HH TYR 57 -8.260 7.704 -11.550 456 H SER 58 H SER 58 -8.527 5.314 -5.494 457 HA SER 58 HA SER 58 -7.534 2.711 -4.917 458 1HB SER 58 1HB SER 58 -9.889 3.457 -6.670 459 2HB SER 58 2HB SER 58 -9.624 1.922 -5.838 460 HG SER 58 HG SER 58 -10.219 4.462 -4.719 461 H VAL 59 H VAL 59 -5.920 1.853 -6.038 462 HA VAL 59 HA VAL 59 -5.623 2.541 -8.867 463 HB VAL 59 HB VAL 59 -3.332 1.713 -8.678 464 1HG1 VAL 59 1HG1 VAL 59 -2.467 3.392 -7.120 465 2HG1 VAL 59 2HG1 VAL 59 -4.079 3.582 -6.432 466 3HG1 VAL 59 3HG1 VAL 59 -3.777 4.038 -8.109 467 1HG2 VAL 59 1HG2 VAL 59 -3.673 -0.081 -7.065 468 2HG2 VAL 59 2HG2 VAL 59 -4.029 1.099 -5.805 469 3HG2 VAL 59 3HG2 VAL 59 -2.413 1.021 -6.507 470 H TYR 60 H TYR 60 -6.128 -0.190 -6.738 471 HA TYR 60 HA TYR 60 -6.498 -1.880 -9.112 472 1HB TYR 60 1HB TYR 60 -4.300 -2.388 -8.102 473 2HB TYR 60 2HB TYR 60 -5.091 -2.715 -6.566 474 HD1 TYR 60 HD1 TYR 60 -4.576 -3.928 -10.002 475 HD2 TYR 60 HD2 TYR 60 -6.229 -4.800 -6.178 476 HE1 TYR 60 HE1 TYR 60 -4.849 -6.280 -10.667 477 HE2 TYR 60 HE2 TYR 60 -6.512 -7.158 -6.834 478 HH TYR 60 HH TYR 60 -5.047 -8.474 -9.621 479 H GLU 61 H GLU 61 -8.712 -1.930 -9.032 480 HA GLU 61 HA GLU 61 -9.921 -2.769 -6.504 481 1HB GLU 61 1HB GLU 61 -10.979 -0.876 -7.643 482 2HB GLU 61 2HB GLU 61 -11.261 -1.877 -9.063 483 1HG GLU 61 1HG GLU 61 -12.707 -3.335 -7.744 484 2HG GLU 61 2HG GLU 61 -12.419 -2.335 -6.322 485 H ASP 62 H ASP 62 -10.117 -4.808 -6.143 486 HA ASP 62 HA ASP 62 -10.627 -6.671 -8.360 487 1HB ASP 62 1HB ASP 62 -8.561 -7.211 -7.189 488 2HB ASP 62 2HB ASP 62 -9.369 -7.110 -5.632 489 H ALA 63 H ALA 63 -12.078 -8.556 -7.580 490 HA ALA 63 HA ALA 63 -14.492 -7.399 -6.658 491 1HB ALA 63 1HB ALA 63 -14.460 -9.261 -8.244 492 2HB ALA 63 2HB ALA 63 -15.422 -9.648 -6.815 493 3HB ALA 63 3HB ALA 63 -13.799 -10.314 -6.994 494 H GLN 64 H GLN 64 -11.840 -8.892 -5.060 495 HA GLN 64 HA GLN 64 -13.405 -9.296 -2.609 496 1HB GLN 64 1HB GLN 64 -10.501 -9.956 -3.012 497 2HB GLN 64 2HB GLN 64 -11.619 -10.630 -1.835 498 1HG GLN 64 1HG GLN 64 -12.650 -11.987 -3.399 499 2HG GLN 64 2HG GLN 64 -12.075 -11.022 -4.761 500 1HE2 GLN 64 1HE2 GLN 64 -9.869 -11.147 -5.337 501 2HE2 GLN 64 2HE2 GLN 64 -8.944 -12.572 -4.971 502 H TYR 65 H TYR 65 -10.553 -7.552 -3.830 503 HA TYR 65 HA TYR 65 -10.600 -5.901 -1.390 504 1HB TYR 65 1HB TYR 65 -8.040 -6.880 -2.665 505 2HB TYR 65 2HB TYR 65 -8.232 -6.065 -1.115 506 HD1 TYR 65 HD1 TYR 65 -8.244 -9.225 -2.847 507 HD2 TYR 65 HD2 TYR 65 -9.319 -7.294 0.787 508 HE1 TYR 65 HE1 TYR 65 -8.422 -11.413 -1.745 509 HE2 TYR 65 HE2 TYR 65 -9.495 -9.480 1.900 510 HH TYR 65 HH TYR 65 -9.740 -11.760 1.463 511 H ILE 66 H ILE 66 -9.382 -3.871 -1.612 512 HA ILE 66 HA ILE 66 -9.062 -2.951 -4.382 513 HB ILE 66 HB ILE 66 -10.411 -1.376 -2.182 514 1HG1 ILE 66 1HG1 ILE 66 -11.541 -2.476 -4.766 515 2HG1 ILE 66 2HG1 ILE 66 -11.846 -3.130 -3.161 516 1HG2 ILE 66 1HG2 ILE 66 -10.778 0.318 -3.942 517 2HG2 ILE 66 2HG2 ILE 66 -9.794 -0.644 -5.046 518 3HG2 ILE 66 3HG2 ILE 66 -9.068 0.057 -3.599 519 1HD1 ILE 66 1HD1 ILE 66 -12.631 -0.391 -4.132 520 2HD1 ILE 66 2HD1 ILE 66 -12.945 -1.045 -2.524 521 3HD1 ILE 66 3HD1 ILE 66 -13.706 -1.776 -3.937 522 H GLY 67 H GLY 67 -7.132 -2.126 -4.683 523 1HA GLY 67 1HA GLY 67 -5.445 -1.484 -2.385 524 2HA GLY 67 2HA GLY 67 -4.911 -1.678 -4.048 525 H HIS 68 H HIS 68 -4.576 0.499 -1.968 526 HA HIS 68 HA HIS 68 -5.439 2.740 -3.679 527 1HB HIS 68 1HB HIS 68 -5.298 2.842 -0.656 528 2HB HIS 68 2HB HIS 68 -5.886 4.102 -1.731 529 HD1 HIS 68 HD1 HIS 68 -8.300 3.873 -2.618 530 HD2 HIS 68 HD2 HIS 68 -7.096 0.762 -0.134 531 HE1 HIS 68 HE1 HIS 68 -10.400 2.611 -2.044 532 HE2 HIS 68 HE2 HIS 68 -9.662 0.822 -0.427 533 H ALA 69 H ALA 69 -3.813 4.098 -4.250 534 HA ALA 69 HA ALA 69 -1.154 3.568 -3.207 535 1HB ALA 69 1HB ALA 69 -2.068 5.549 -5.287 536 2HB ALA 69 2HB ALA 69 -1.412 3.940 -5.595 537 3HB ALA 69 3HB ALA 69 -0.391 5.189 -4.880 538 H PHE 70 H PHE 70 -0.278 4.584 -1.554 539 HA PHE 70 HA PHE 70 -1.266 7.274 -0.874 540 1HB PHE 70 1HB PHE 70 -0.294 5.025 0.870 541 2HB PHE 70 2HB PHE 70 -0.336 6.689 1.446 542 HD1 PHE 70 HD1 PHE 70 -2.396 7.789 1.910 543 HD2 PHE 70 HD2 PHE 70 -2.349 3.818 0.391 544 HE1 PHE 70 HE1 PHE 70 -4.766 7.539 2.504 545 HE2 PHE 70 HE2 PHE 70 -4.722 3.560 0.981 546 HZ PHE 70 HZ PHE 70 -5.930 5.426 2.036 547 H LYS 71 H LYS 71 0.150 8.894 -0.649 548 HA LYS 71 HA LYS 71 2.920 8.415 -1.328 549 1HB LYS 71 1HB LYS 71 1.201 10.815 -1.005 550 2HB LYS 71 2HB LYS 71 2.923 11.018 -0.716 551 1HG LYS 71 1HG LYS 71 2.653 11.573 -2.950 552 2HG LYS 71 2HG LYS 71 3.250 9.919 -2.994 553 1HD LYS 71 1HD LYS 71 0.306 10.378 -2.998 554 2HD LYS 71 2HD LYS 71 1.215 10.669 -4.482 555 1HE LYS 71 1HE LYS 71 2.063 8.400 -4.438 556 2HE LYS 71 2HE LYS 71 1.257 8.103 -2.898 557 1HZ LYS 71 1HZ LYS 71 0.031 7.211 -4.808 558 2HZ LYS 71 2HZ LYS 71 -0.135 8.774 -5.432 559 3HZ LYS 71 3HZ LYS 71 -0.865 8.368 -3.961 560 H LYS 72 H LYS 72 4.390 7.926 0.095 561 HA LYS 72 HA LYS 72 3.909 8.563 2.935 562 1HB LYS 72 1HB LYS 72 5.727 6.431 1.786 563 2HB LYS 72 2HB LYS 72 5.301 6.655 3.478 564 1HG LYS 72 1HG LYS 72 3.276 5.997 1.358 565 2HG LYS 72 2HG LYS 72 4.151 4.768 2.270 566 1HD LYS 72 1HD LYS 72 2.429 6.923 3.494 567 2HD LYS 72 2HD LYS 72 1.906 5.265 3.193 568 1HE LYS 72 1HE LYS 72 3.831 4.513 4.627 569 2HE LYS 72 2HE LYS 72 4.071 6.204 5.062 570 1HZ LYS 72 1HZ LYS 72 2.751 5.157 6.734 571 2HZ LYS 72 2HZ LYS 72 1.661 4.558 5.587 572 3HZ LYS 72 3HZ LYS 72 1.752 6.228 5.877 573 H ALA 73 H ALA 73 6.165 8.620 4.130 574 HA ALA 73 HA ALA 73 7.552 10.881 3.194 575 1HB ALA 73 1HB ALA 73 7.470 10.271 5.554 576 2HB ALA 73 2HB ALA 73 9.135 10.446 5.002 577 3HB ALA 73 3HB ALA 73 8.444 8.839 5.226 578 H GLY 74 H GLY 74 8.378 10.659 1.158 579 1HA GLY 74 1HA GLY 74 10.058 10.242 -0.348 580 2HA GLY 74 2HA GLY 74 10.952 9.472 0.951 581 H HIS 75 H HIS 75 7.862 8.134 0.514 582 HA HIS 75 HA HIS 75 8.782 6.113 -1.362 583 1HB HIS 75 1HB HIS 75 8.328 5.620 1.550 584 2HB HIS 75 2HB HIS 75 7.888 4.360 0.401 585 HD1 HIS 75 HD1 HIS 75 10.352 4.460 2.580 586 HD2 HIS 75 HD2 HIS 75 10.540 4.733 -1.567 587 HE1 HIS 75 HE1 HIS 75 12.681 3.745 1.953 588 HE2 HIS 75 HE2 HIS 75 12.802 4.017 -0.552 589 H PHE 76 H PHE 76 6.974 4.403 -1.619 590 HA PHE 76 HA PHE 76 4.343 5.718 -1.457 591 1HB PHE 76 1HB PHE 76 5.456 4.133 -3.787 592 2HB PHE 76 2HB PHE 76 3.811 4.750 -3.676 593 HD1 PHE 76 HD1 PHE 76 7.020 5.353 -4.928 594 HD2 PHE 76 HD2 PHE 76 3.644 7.347 -3.275 595 HE1 PHE 76 HE1 PHE 76 7.750 7.453 -5.981 596 HE2 PHE 76 HE2 PHE 76 4.369 9.447 -4.325 597 HZ PHE 76 HZ PHE 76 6.421 9.503 -5.681 598 H ILE 77 H ILE 77 2.744 4.392 -0.660 599 HA ILE 77 HA ILE 77 3.294 1.509 -0.715 600 HB ILE 77 HB ILE 77 2.219 3.004 1.680 601 1HG1 ILE 77 1HG1 ILE 77 4.815 1.507 1.251 602 2HG1 ILE 77 2HG1 ILE 77 4.638 3.247 1.431 603 1HG2 ILE 77 1HG2 ILE 77 2.237 0.812 2.798 604 2HG2 ILE 77 2HG2 ILE 77 2.696 0.049 1.275 605 3HG2 ILE 77 3HG2 ILE 77 1.128 0.842 1.428 606 1HD1 ILE 77 1HD1 ILE 77 4.036 1.186 3.541 607 2HD1 ILE 77 2HD1 ILE 77 3.864 2.932 3.724 608 3HD1 ILE 77 3HD1 ILE 77 5.459 2.225 3.473 609 H VAL 78 H VAL 78 1.653 0.269 -1.293 610 HA VAL 78 HA VAL 78 -0.936 1.567 -1.790 611 HB VAL 78 HB VAL 78 0.142 -1.012 -2.949 612 1HG1 VAL 78 1HG1 VAL 78 -1.754 -0.867 -4.488 613 2HG1 VAL 78 2HG1 VAL 78 -2.328 0.572 -3.646 614 3HG1 VAL 78 3HG1 VAL 78 -2.294 -0.982 -2.812 615 1HG2 VAL 78 1HG2 VAL 78 0.397 0.239 -5.030 616 2HG2 VAL 78 2HG2 VAL 78 1.385 0.933 -3.746 617 3HG2 VAL 78 3HG2 VAL 78 -0.127 1.712 -4.214 618 H TYR 79 H TYR 79 -2.325 1.242 -0.195 619 HA TYR 79 HA TYR 79 -2.161 -1.167 1.431 620 1HB TYR 79 1HB TYR 79 -3.761 1.381 1.705 621 2HB TYR 79 2HB TYR 79 -3.885 0.025 2.813 622 HD1 TYR 79 HD1 TYR 79 -1.541 2.568 1.487 623 HD2 TYR 79 HD2 TYR 79 -2.337 -0.238 4.582 624 HE1 TYR 79 HE1 TYR 79 0.330 3.483 2.785 625 HE2 TYR 79 HE2 TYR 79 -0.464 0.673 5.893 626 HH TYR 79 HH TYR 79 1.586 1.933 5.567 627 H PHE 80 H PHE 80 -3.422 -2.854 1.095 628 HA PHE 80 HA PHE 80 -5.673 -2.603 -0.749 629 1HB PHE 80 1HB PHE 80 -4.115 -4.971 0.285 630 2HB PHE 80 2HB PHE 80 -5.597 -5.139 -0.643 631 HD1 PHE 80 HD1 PHE 80 -2.109 -3.989 -0.753 632 HD2 PHE 80 HD2 PHE 80 -5.630 -4.819 -2.990 633 HE1 PHE 80 HE1 PHE 80 -0.817 -3.825 -2.839 634 HE2 PHE 80 HE2 PHE 80 -4.346 -4.657 -5.082 635 HZ PHE 80 HZ PHE 80 -1.935 -4.160 -5.008 636 H THR 81 H THR 81 -7.584 -2.302 0.086 637 HA THR 81 HA THR 81 -8.179 -3.296 2.789 638 HB THR 81 HB THR 81 -10.145 -1.778 2.677 639 HG1 THR 81 HG1 THR 81 -9.491 -1.735 0.071 640 1HG2 THR 81 1HG2 THR 81 -7.505 -0.444 2.059 641 2HG2 THR 81 2HG2 THR 81 -8.053 -0.971 3.651 642 3HG2 THR 81 3HG2 THR 81 -8.897 0.332 2.816 643 HA PRO 82 HA PRO 82 -10.884 -6.389 1.025 644 1HB PRO 82 1HB PRO 82 -12.606 -6.777 3.074 645 2HB PRO 82 2HB PRO 82 -10.929 -7.334 3.132 646 1HG PRO 82 1HG PRO 82 -12.150 -4.880 4.338 647 2HG PRO 82 2HG PRO 82 -10.988 -6.014 5.048 648 1HD PRO 82 1HD PRO 82 -10.260 -3.619 3.989 649 2HD PRO 82 2HD PRO 82 -9.198 -5.039 3.984 650 H LYS 83 H LYS 83 -11.469 -4.185 -0.217 651 HA LYS 83 HA LYS 83 -12.954 -2.705 -1.052 652 1HB LYS 83 1HB LYS 83 -14.669 -5.097 -0.514 653 2HB LYS 83 2HB LYS 83 -15.410 -3.606 -1.080 654 1HG LYS 83 1HG LYS 83 -13.789 -3.665 -3.008 655 2HG LYS 83 2HG LYS 83 -13.349 -5.290 -2.478 656 1HD LYS 83 1HD LYS 83 -15.534 -6.105 -2.863 657 2HD LYS 83 2HD LYS 83 -16.184 -4.476 -3.058 658 1HE LYS 83 1HE LYS 83 -14.191 -5.790 -4.894 659 2HE LYS 83 2HE LYS 83 -15.921 -5.670 -5.204 660 1HZ LYS 83 1HZ LYS 83 -15.646 -3.213 -5.103 661 2HZ LYS 83 2HZ LYS 83 -14.829 -3.951 -6.388 662 3HZ LYS 83 3HZ LYS 83 -13.971 -3.447 -5.020 663 H ASN 84 H ASN 84 -12.259 -1.712 1.180 664 HA ASN 84 HA ASN 84 -14.404 -1.310 3.030 665 1HB ASN 84 1HB ASN 84 -12.102 -1.077 3.803 666 2HB ASN 84 2HB ASN 84 -11.823 0.227 2.651 667 1HD2 ASN 84 1HD2 ASN 84 -12.618 2.267 3.085 668 2HD2 ASN 84 2HD2 ASN 84 -13.270 2.712 4.623 669 H LYS 85 H LYS 85 -16.169 -0.494 2.116 670 HA LYS 85 HA LYS 85 -15.981 1.708 0.237 671 1HB LYS 85 1HB LYS 85 -18.358 0.153 1.273 672 2HB LYS 85 2HB LYS 85 -18.439 1.407 0.042 673 1HG LYS 85 1HG LYS 85 -17.071 0.084 -1.446 674 2HG LYS 85 2HG LYS 85 -16.868 -1.149 -0.201 675 1HD LYS 85 1HD LYS 85 -18.570 -1.790 -1.846 676 2HD LYS 85 2HD LYS 85 -19.259 -1.601 -0.234 677 1HE LYS 85 1HE LYS 85 -20.109 0.592 -0.824 678 2HE LYS 85 2HE LYS 85 -19.346 0.485 -2.410 679 1HZ LYS 85 1HZ LYS 85 -21.450 -1.368 -1.428 680 2HZ LYS 85 2HZ LYS 85 -20.779 -1.326 -2.986 681 3HZ LYS 85 3HZ LYS 85 -21.734 -0.036 -2.442 682 H ASN 86 H ASN 86 -15.677 3.647 1.134 683 HA ASN 86 HA ASN 86 -16.822 4.422 3.640 684 1HB ASN 86 1HB ASN 86 -14.752 5.466 2.769 685 2HB ASN 86 2HB ASN 86 -15.671 6.149 1.431 686 1HD2 ASN 86 1HD2 ASN 86 -14.988 6.320 4.827 687 2HD2 ASN 86 2HD2 ASN 86 -15.741 7.855 5.106 688 H ARG 87 H ARG 87 -18.992 4.195 3.625 689 HA ARG 87 HA ARG 87 -20.487 5.321 1.355 690 1HB ARG 87 1HB ARG 87 -20.622 2.838 1.947 691 2HB ARG 87 2HB ARG 87 -21.496 3.334 3.387 692 1HG ARG 87 1HG ARG 87 -23.236 4.325 2.015 693 2HG ARG 87 2HG ARG 87 -22.351 3.879 0.553 694 1HD ARG 87 1HD ARG 87 -22.474 1.491 1.361 695 2HD ARG 87 2HD ARG 87 -23.602 2.053 2.592 696 HE ARG 87 HE ARG 87 -24.464 2.902 0.043 697 1HH1 ARG 87 1HH1 ARG 87 -24.159 -0.013 1.966 698 2HH1 ARG 87 2HH1 ARG 87 -25.509 -0.808 1.208 699 1HH2 ARG 87 1HH2 ARG 87 -26.222 1.854 -0.976 700 2HH2 ARG 87 2HH2 ARG 87 -26.655 0.238 -0.495 701 H GLU 88 H GLU 88 -20.000 5.473 4.774 702 HA GLU 88 HA GLU 88 -21.582 7.836 5.030 703 1HB GLU 88 1HB GLU 88 -23.352 6.127 5.066 704 2HB GLU 88 2HB GLU 88 -22.534 5.303 6.382 705 1HG GLU 88 1HG GLU 88 -22.909 7.196 7.839 706 2HG GLU 88 2HG GLU 88 -23.660 8.087 6.514 707 H GLY 89 H GLY 89 -21.381 8.784 7.166 708 1HA GLY 89 1HA GLY 89 -20.475 8.773 9.383 709 2HA GLY 89 2HA GLY 89 -19.335 7.532 8.875 710 H VAL 90 H VAL 90 -17.382 8.410 9.136 711 HA VAL 90 HA VAL 90 -16.808 11.143 8.488 712 HB VAL 90 HB VAL 90 -14.869 8.866 8.958 713 1HG1 VAL 90 1HG1 VAL 90 -13.267 10.655 9.490 714 2HG1 VAL 90 2HG1 VAL 90 -14.469 11.856 9.021 715 3HG1 VAL 90 3HG1 VAL 90 -13.825 10.737 7.819 716 1HG2 VAL 90 1HG2 VAL 90 -15.977 10.903 10.889 717 2HG2 VAL 90 2HG2 VAL 90 -14.703 9.737 11.248 718 3HG2 VAL 90 3HG2 VAL 90 -16.333 9.177 10.877 719 H VAL 91 H VAL 91 -17.179 11.614 6.389 720 HA VAL 91 HA VAL 91 -16.067 9.890 4.312 721 HB VAL 91 HB VAL 91 -18.338 10.611 3.927 722 1HG1 VAL 91 1HG1 VAL 91 -18.363 12.637 5.253 723 2HG1 VAL 91 2HG1 VAL 91 -18.943 12.960 3.620 724 3HG1 VAL 91 3HG1 VAL 91 -17.311 13.438 4.087 725 1HG2 VAL 91 1HG2 VAL 91 -18.112 11.696 1.725 726 2HG2 VAL 91 2HG2 VAL 91 -16.987 10.357 1.946 727 3HG2 VAL 91 3HG2 VAL 91 -16.415 12.020 2.081 728 HA PRO 92 HA PRO 92 -12.371 12.215 4.272 729 1HB PRO 92 1HB PRO 92 -11.351 11.340 1.916 730 2HB PRO 92 2HB PRO 92 -11.401 10.355 3.383 731 1HG PRO 92 1HG PRO 92 -13.255 10.348 1.032 732 2HG PRO 92 2HG PRO 92 -12.562 8.973 1.915 733 1HD PRO 92 1HD PRO 92 -15.081 9.836 2.342 734 2HD PRO 92 2HD PRO 92 -14.081 9.155 3.641 735 HA PRO 93 HA PRO 93 -12.945 15.617 1.369 736 1HB PRO 93 1HB PRO 93 -11.783 17.479 2.907 737 2HB PRO 93 2HB PRO 93 -13.417 16.904 3.243 738 1HG PRO 93 1HG PRO 93 -10.895 16.348 4.678 739 2HG PRO 93 2HG PRO 93 -12.560 16.335 5.280 740 1HD PRO 93 1HD PRO 93 -10.966 14.099 4.476 741 2HD PRO 93 2HD PRO 93 -12.652 14.090 5.023 742 H VAL 94 H VAL 94 -11.027 17.466 0.979 743 HA VAL 94 HA VAL 94 -8.570 15.898 0.501 744 HB VAL 94 HB VAL 94 -9.549 18.253 -1.126 745 1HG1 VAL 94 1HG1 VAL 94 -7.128 18.016 -1.122 746 2HG1 VAL 94 2HG1 VAL 94 -7.791 17.592 -2.700 747 3HG1 VAL 94 3HG1 VAL 94 -7.278 16.322 -1.590 748 1HG2 VAL 94 1HG2 VAL 94 -9.618 15.313 -1.802 749 2HG2 VAL 94 2HG2 VAL 94 -10.062 16.636 -2.880 750 3HG2 VAL 94 3HG2 VAL 94 -11.015 16.323 -1.429 751 H GLY 95 H GLY 95 -9.699 19.261 0.887 752 1HA GLY 95 1HA GLY 95 -8.889 20.864 2.379 753 2HA GLY 95 2HA GLY 95 -7.624 19.743 2.862 754 H ILE 96 H ILE 96 -6.378 21.808 2.746 755 HA ILE 96 HA ILE 96 -4.674 22.974 1.805 756 HB ILE 96 HB ILE 96 -4.940 21.212 -0.643 757 1HG1 ILE 96 1HG1 ILE 96 -4.742 19.807 1.361 758 2HG1 ILE 96 2HG1 ILE 96 -3.268 19.737 0.401 759 1HG2 ILE 96 1HG2 ILE 96 -3.499 23.165 -0.944 760 2HG2 ILE 96 2HG2 ILE 96 -2.554 21.676 -0.943 761 3HG2 ILE 96 3HG2 ILE 96 -2.574 22.710 0.487 762 1HD1 ILE 96 1HD1 ILE 96 -3.684 21.343 2.914 763 2HD1 ILE 96 2HD1 ILE 96 -2.211 21.323 1.944 764 3HD1 ILE 96 3HD1 ILE 96 -2.749 19.855 2.758 765 H THR 97 H THR 97 -7.621 23.413 1.264 766 HA THR 97 HA THR 97 -9.013 24.814 0.179 767 HB THR 97 HB THR 97 -8.037 27.054 -0.464 768 HG1 THR 97 HG1 THR 97 -5.771 25.714 -0.431 769 1HG2 THR 97 1HG2 THR 97 -7.440 25.990 2.299 770 2HG2 THR 97 2HG2 THR 97 -8.985 26.634 1.742 771 3HG2 THR 97 3HG2 THR 97 -7.580 27.694 1.863 772 H ASN 98 H ASN 98 -9.797 23.845 -1.594 773 HA ASN 98 HA ASN 98 -8.260 23.837 -4.059 774 1HB ASN 98 1HB ASN 98 -10.255 22.605 -4.982 775 2HB ASN 98 2HB ASN 98 -9.458 21.807 -3.634 776 1HD2 ASN 98 1HD2 ASN 98 -10.525 21.595 -1.691 777 2HD2 ASN 98 2HD2 ASN 98 -12.219 21.924 -1.515 Start of MODEL 12 1 H MET 1 H MET 1 -15.475 15.707 -6.090 2 HA MET 1 HA MET 1 -16.841 13.149 -5.512 3 1HB MET 1 1HB MET 1 -18.090 14.410 -7.190 4 2HB MET 1 2HB MET 1 -16.615 14.697 -8.104 5 1HG MET 1 1HG MET 1 -16.405 12.284 -8.496 6 2HG MET 1 2HG MET 1 -17.906 12.021 -7.612 7 1HE MET 1 1HE MET 1 -18.805 11.323 -11.395 8 2HE MET 1 2HE MET 1 -18.732 10.632 -9.773 9 3HE MET 1 3HE MET 1 -17.242 11.028 -10.633 10 H LYS 2 H LYS 2 -15.153 11.891 -4.984 11 HA LYS 2 HA LYS 2 -13.292 11.109 -6.970 12 1HB LYS 2 1HB LYS 2 -12.278 13.306 -6.281 13 2HB LYS 2 2HB LYS 2 -12.068 12.643 -4.667 14 1HG LYS 2 1HG LYS 2 -9.989 12.480 -5.822 15 2HG LYS 2 2HG LYS 2 -10.649 10.852 -5.652 16 1HD LYS 2 1HD LYS 2 -9.760 11.131 -7.882 17 2HD LYS 2 2HD LYS 2 -11.516 11.000 -7.961 18 1HE LYS 2 1HE LYS 2 -11.707 13.417 -8.164 19 2HE LYS 2 2HE LYS 2 -9.959 13.583 -8.024 20 1HZ LYS 2 1HZ LYS 2 -10.663 13.709 -10.319 21 2HZ LYS 2 2HZ LYS 2 -11.404 12.189 -10.216 22 3HZ LYS 2 3HZ LYS 2 -9.720 12.323 -10.079 23 H SER 3 H SER 3 -14.226 11.257 -3.606 24 HA SER 3 HA SER 3 -14.324 9.720 -1.949 25 1HB SER 3 1HB SER 3 -13.945 7.726 -4.199 26 2HB SER 3 2HB SER 3 -14.498 7.343 -2.567 27 HG SER 3 HG SER 3 -15.845 9.292 -4.088 28 H SER 4 H SER 4 -11.784 10.912 -2.703 29 HA SER 4 HA SER 4 -9.742 8.950 -2.358 30 1HB SER 4 1HB SER 4 -8.337 11.073 -1.940 31 2HB SER 4 2HB SER 4 -9.070 10.874 -3.532 32 HG SER 4 HG SER 4 -10.124 12.423 -1.389 33 H ILE 5 H ILE 5 -9.596 7.863 -0.526 34 HA ILE 5 HA ILE 5 -10.469 9.048 1.989 35 HB ILE 5 HB ILE 5 -9.553 6.217 1.438 36 1HG1 ILE 5 1HG1 ILE 5 -12.370 7.324 1.537 37 2HG1 ILE 5 2HG1 ILE 5 -11.522 6.843 0.071 38 1HG2 ILE 5 1HG2 ILE 5 -11.120 7.384 3.736 39 2HG2 ILE 5 2HG2 ILE 5 -9.450 6.819 3.790 40 3HG2 ILE 5 3HG2 ILE 5 -10.759 5.673 3.502 41 1HD1 ILE 5 1HD1 ILE 5 -12.274 5.027 2.351 42 2HD1 ILE 5 2HD1 ILE 5 -11.434 4.542 0.877 43 3HD1 ILE 5 3HD1 ILE 5 -13.092 5.137 0.792 44 HA PRO 6 HA PRO 6 -6.264 9.883 3.210 45 1HB PRO 6 1HB PRO 6 -6.696 10.303 5.853 46 2HB PRO 6 2HB PRO 6 -7.122 11.484 4.610 47 1HG PRO 6 1HG PRO 6 -8.866 9.514 6.034 48 2HG PRO 6 2HG PRO 6 -9.194 11.208 5.620 49 1HD PRO 6 1HD PRO 6 -10.166 9.122 4.179 50 2HD PRO 6 2HD PRO 6 -9.782 10.696 3.457 51 H ILE 7 H ILE 7 -4.592 9.036 4.563 52 HA ILE 7 HA ILE 7 -4.622 6.216 4.626 53 HB ILE 7 HB ILE 7 -2.576 7.521 4.222 54 1HG1 ILE 7 1HG1 ILE 7 -1.050 6.153 5.585 55 2HG1 ILE 7 2HG1 ILE 7 -2.385 5.723 6.650 56 1HG2 ILE 7 1HG2 ILE 7 -2.939 9.321 5.808 57 2HG2 ILE 7 2HG2 ILE 7 -1.377 8.552 6.093 58 3HG2 ILE 7 3HG2 ILE 7 -2.742 8.197 7.153 59 1HD1 ILE 7 1HD1 ILE 7 -2.138 5.015 3.736 60 2HD1 ILE 7 2HD1 ILE 7 -3.488 4.588 4.791 61 3HD1 ILE 7 3HD1 ILE 7 -1.881 3.929 5.103 62 H THR 8 H THR 8 -5.387 8.588 7.052 63 HA THR 8 HA THR 8 -4.871 7.039 9.340 64 HB THR 8 HB THR 8 -5.258 9.494 9.390 65 HG1 THR 8 HG1 THR 8 -5.709 7.835 11.212 66 1HG2 THR 8 1HG2 THR 8 -8.160 8.729 9.033 67 2HG2 THR 8 2HG2 THR 8 -7.173 9.631 7.882 68 3HG2 THR 8 3HG2 THR 8 -7.566 10.337 9.450 69 H GLU 9 H GLU 9 -7.377 6.853 6.999 70 HA GLU 9 HA GLU 9 -9.017 5.162 8.734 71 1HB GLU 9 1HB GLU 9 -9.493 6.287 5.971 72 2HB GLU 9 2HB GLU 9 -10.594 5.174 6.771 73 1HG GLU 9 1HG GLU 9 -9.815 7.901 7.773 74 2HG GLU 9 2HG GLU 9 -11.332 7.484 6.975 75 H VAL 10 H VAL 10 -7.254 5.089 5.667 76 HA VAL 10 HA VAL 10 -8.040 2.432 5.032 77 HB VAL 10 HB VAL 10 -5.815 4.122 3.889 78 1HG1 VAL 10 1HG1 VAL 10 -7.033 1.569 2.844 79 2HG1 VAL 10 2HG1 VAL 10 -5.398 1.760 3.472 80 3HG1 VAL 10 3HG1 VAL 10 -5.870 2.579 1.985 81 1HG2 VAL 10 1HG2 VAL 10 -7.988 5.125 3.558 82 2HG2 VAL 10 2HG2 VAL 10 -8.638 3.596 2.966 83 3HG2 VAL 10 3HG2 VAL 10 -7.417 4.456 2.029 84 H LEU 11 H LEU 11 -5.215 3.810 6.631 85 HA LEU 11 HA LEU 11 -3.504 1.628 6.507 86 1HB LEU 11 1HB LEU 11 -2.547 3.593 7.261 87 2HB LEU 11 2HB LEU 11 -3.831 3.905 8.407 88 HG LEU 11 HG LEU 11 -2.978 2.103 9.847 89 1HD1 LEU 11 1HD1 LEU 11 -0.777 1.143 9.414 90 2HD1 LEU 11 2HD1 LEU 11 -0.720 1.967 7.856 91 3HD1 LEU 11 3HD1 LEU 11 -1.930 0.717 8.151 92 1HD2 LEU 11 1HD2 LEU 11 -0.962 4.214 9.102 93 2HD2 LEU 11 2HD2 LEU 11 -0.961 3.280 10.598 94 3HD2 LEU 11 3HD2 LEU 11 -2.290 4.386 10.249 95 HA PRO 12 HA PRO 12 -5.203 -0.118 10.673 96 1HB PRO 12 1HB PRO 12 -7.603 0.854 11.561 97 2HB PRO 12 2HB PRO 12 -6.031 1.454 12.101 98 1HG PRO 12 1HG PRO 12 -7.879 2.578 10.039 99 2HG PRO 12 2HG PRO 12 -6.950 3.423 11.291 100 1HD PRO 12 1HD PRO 12 -6.142 3.346 8.728 101 2HD PRO 12 2HD PRO 12 -4.989 3.327 10.076 102 H ARG 13 H ARG 13 -7.498 0.855 8.169 103 HA ARG 13 HA ARG 13 -9.108 -1.519 8.567 104 1HB ARG 13 1HB ARG 13 -9.239 0.719 6.555 105 2HB ARG 13 2HB ARG 13 -10.340 -0.645 6.556 106 1HG ARG 13 1HG ARG 13 -11.067 -0.022 8.830 107 2HG ARG 13 2HG ARG 13 -10.015 1.394 8.743 108 1HD ARG 13 1HD ARG 13 -11.256 2.213 6.815 109 2HD ARG 13 2HD ARG 13 -12.287 0.785 6.854 110 HE ARG 13 HE ARG 13 -12.201 2.744 9.067 111 1HH1 ARG 13 1HH1 ARG 13 -13.965 0.699 6.833 112 2HH1 ARG 13 2HH1 ARG 13 -15.521 1.115 7.470 113 1HH2 ARG 13 1HH2 ARG 13 -14.262 3.313 9.907 114 2HH2 ARG 13 2HH2 ARG 13 -15.692 2.584 9.234 115 H ALA 14 H ALA 14 -6.185 -1.092 7.165 116 HA ALA 14 HA ALA 14 -6.640 -2.418 4.650 117 1HB ALA 14 1HB ALA 14 -4.883 -0.728 4.879 118 2HB ALA 14 2HB ALA 14 -4.230 -2.279 4.353 119 3HB ALA 14 3HB ALA 14 -4.039 -1.766 6.029 120 H VAL 15 H VAL 15 -6.012 -4.440 4.036 121 HA VAL 15 HA VAL 15 -5.371 -6.329 6.211 122 HB VAL 15 HB VAL 15 -6.474 -8.082 4.846 123 1HG1 VAL 15 1HG1 VAL 15 -7.710 -6.968 6.626 124 2HG1 VAL 15 2HG1 VAL 15 -8.777 -7.381 5.284 125 3HG1 VAL 15 3HG1 VAL 15 -8.231 -5.718 5.495 126 1HG2 VAL 15 1HG2 VAL 15 -7.915 -7.432 2.971 127 2HG2 VAL 15 2HG2 VAL 15 -6.224 -7.057 2.643 128 3HG2 VAL 15 3HG2 VAL 15 -7.339 -5.771 3.106 129 H GLY 16 H GLY 16 -4.106 -4.755 3.646 130 1HA GLY 16 1HA GLY 16 -1.836 -6.525 3.524 131 2HA GLY 16 2HA GLY 16 -2.749 -6.450 2.020 132 H SER 17 H SER 17 -0.109 -5.608 2.093 133 HA SER 17 HA SER 17 -0.453 -2.858 1.293 134 1HB SER 17 1HB SER 17 1.437 -2.067 2.755 135 2HB SER 17 2HB SER 17 -0.040 -2.475 3.626 136 HG SER 17 HG SER 17 1.192 -3.746 4.746 137 H LEU 18 H LEU 18 0.964 -2.233 -0.226 138 HA LEU 18 HA LEU 18 3.301 -3.954 -0.731 139 1HB LEU 18 1HB LEU 18 1.300 -2.796 -2.587 140 2HB LEU 18 2HB LEU 18 2.974 -2.735 -3.099 141 HG LEU 18 HG LEU 18 1.560 -5.275 -2.291 142 1HD1 LEU 18 1HD1 LEU 18 2.113 -4.169 -5.042 143 2HD1 LEU 18 2HD1 LEU 18 0.527 -4.346 -4.294 144 3HD1 LEU 18 3HD1 LEU 18 1.481 -5.776 -4.689 145 1HD2 LEU 18 1HD2 LEU 18 3.981 -5.344 -2.030 146 2HD2 LEU 18 2HD2 LEU 18 4.191 -4.763 -3.683 147 3HD2 LEU 18 3HD2 LEU 18 3.473 -6.348 -3.387 148 H THR 19 H THR 19 5.080 -2.934 -0.203 149 HA THR 19 HA THR 19 5.090 -0.014 -0.082 150 HB THR 19 HB THR 19 7.150 -2.003 0.892 151 HG1 THR 19 HG1 THR 19 5.109 -2.002 2.045 152 1HG2 THR 19 1HG2 THR 19 8.136 0.176 0.363 153 2HG2 THR 19 2HG2 THR 19 8.114 -0.106 2.104 154 3HG2 THR 19 3HG2 THR 19 6.926 0.972 1.370 155 H PHE 20 H PHE 20 5.814 1.093 -1.764 156 HA PHE 20 HA PHE 20 7.918 -0.114 -3.430 157 1HB PHE 20 1HB PHE 20 5.808 1.911 -4.216 158 2HB PHE 20 2HB PHE 20 7.097 1.336 -5.266 159 HD1 PHE 20 HD1 PHE 20 7.194 -1.235 -5.624 160 HD2 PHE 20 HD2 PHE 20 3.768 0.879 -4.255 161 HE1 PHE 20 HE1 PHE 20 5.761 -3.091 -6.364 162 HE2 PHE 20 HE2 PHE 20 2.329 -0.980 -4.981 163 HZ PHE 20 HZ PHE 20 3.329 -2.961 -6.037 164 H ASP 21 H ASP 21 9.536 1.265 -4.226 165 HA ASP 21 HA ASP 21 10.324 3.313 -2.348 166 1HB ASP 21 1HB ASP 21 11.968 1.691 -3.158 167 2HB ASP 21 2HB ASP 21 11.674 2.189 -4.819 168 H GLU 22 H GLU 22 11.411 5.355 -3.436 169 HA GLU 22 HA GLU 22 9.437 6.871 -4.742 170 1HB GLU 22 1HB GLU 22 11.188 8.551 -5.018 171 2HB GLU 22 2HB GLU 22 11.235 7.871 -3.398 172 1HG GLU 22 1HG GLU 22 13.137 6.543 -3.932 173 2HG GLU 22 2HG GLU 22 13.018 6.961 -5.640 174 H ASN 23 H ASN 23 11.929 4.752 -5.891 175 HA ASN 23 HA ASN 23 11.686 5.584 -8.654 176 1HB ASN 23 1HB ASN 23 13.149 3.308 -7.303 177 2HB ASN 23 2HB ASN 23 13.160 3.571 -9.040 178 1HD2 ASN 23 1HD2 ASN 23 14.219 4.759 -5.950 179 2HD2 ASN 23 2HD2 ASN 23 15.407 5.869 -6.569 180 H TYR 24 H TYR 24 9.624 4.143 -6.718 181 HA TYR 24 HA TYR 24 7.779 2.879 -6.958 182 1HB TYR 24 1HB TYR 24 8.427 3.092 -9.904 183 2HB TYR 24 2HB TYR 24 6.921 2.453 -9.253 184 HD1 TYR 24 HD1 TYR 24 8.791 5.429 -10.077 185 HD2 TYR 24 HD2 TYR 24 5.404 3.967 -7.960 186 HE1 TYR 24 HE1 TYR 24 7.884 7.712 -9.965 187 HE2 TYR 24 HE2 TYR 24 4.487 6.245 -7.845 188 HH TYR 24 HH TYR 24 5.411 8.604 -7.913 189 H ASN 25 H ASN 25 10.511 1.708 -6.752 190 HA ASN 25 HA ASN 25 10.205 -0.920 -7.944 191 1HB ASN 25 1HB ASN 25 12.282 0.121 -5.999 192 2HB ASN 25 2HB ASN 25 12.339 -1.433 -6.822 193 1HD2 ASN 25 1HD2 ASN 25 14.191 0.829 -6.847 194 2HD2 ASN 25 2HD2 ASN 25 14.379 1.249 -8.518 195 H LEU 26 H LEU 26 9.716 -2.796 -6.809 196 HA LEU 26 HA LEU 26 8.061 -2.445 -4.514 197 1HB LEU 26 1HB LEU 26 7.923 -4.189 -6.437 198 2HB LEU 26 2HB LEU 26 9.087 -5.094 -5.491 199 HG LEU 26 HG LEU 26 6.400 -4.226 -4.420 200 1HD1 LEU 26 1HD1 LEU 26 7.193 -6.867 -5.634 201 2HD1 LEU 26 2HD1 LEU 26 6.072 -5.695 -6.331 202 3HD1 LEU 26 3HD1 LEU 26 5.665 -6.518 -4.825 203 1HD2 LEU 26 1HD2 LEU 26 8.082 -4.726 -2.718 204 2HD2 LEU 26 2HD2 LEU 26 8.369 -6.300 -3.461 205 3HD2 LEU 26 3HD2 LEU 26 6.801 -5.938 -2.736 206 H LEU 27 H LEU 27 8.671 -2.381 -2.470 207 HA LEU 27 HA LEU 27 11.346 -3.359 -1.760 208 1HB LEU 27 1HB LEU 27 9.533 -1.459 -0.272 209 2HB LEU 27 2HB LEU 27 11.153 -1.918 0.216 210 HG LEU 27 HG LEU 27 10.436 -0.355 -2.267 211 1HD1 LEU 27 1HD1 LEU 27 11.769 0.491 0.301 212 2HD1 LEU 27 2HD1 LEU 27 10.144 0.933 -0.221 213 3HD1 LEU 27 3HD1 LEU 27 11.547 1.502 -1.126 214 1HD2 LEU 27 1HD2 LEU 27 13.132 -1.100 -1.139 215 2HD2 LEU 27 2HD2 LEU 27 12.841 -0.065 -2.537 216 3HD2 LEU 27 3HD2 LEU 27 12.402 -1.773 -2.597 217 H ASP 28 H ASP 28 7.995 -3.295 -0.554 218 HA ASP 28 HA ASP 28 8.550 -5.783 0.903 219 1HB ASP 28 1HB ASP 28 8.771 -3.937 2.504 220 2HB ASP 28 2HB ASP 28 7.175 -3.349 2.059 221 H THR 29 H THR 29 6.860 -7.194 1.070 222 HA THR 29 HA THR 29 4.242 -6.329 0.039 223 HB THR 29 HB THR 29 5.507 -9.030 -0.457 224 HG1 THR 29 HG1 THR 29 5.963 -6.719 -1.669 225 1HG2 THR 29 1HG2 THR 29 3.642 -9.331 -2.023 226 2HG2 THR 29 2HG2 THR 29 2.999 -7.756 -1.556 227 3HG2 THR 29 3HG2 THR 29 3.061 -9.067 -0.379 228 H SER 30 H SER 30 2.794 -6.493 1.646 229 HA SER 30 HA SER 30 3.071 -8.698 3.570 230 1HB SER 30 1HB SER 30 2.592 -5.782 4.222 231 2HB SER 30 2HB SER 30 2.408 -7.098 5.381 232 HG SER 30 HG SER 30 4.788 -6.275 4.040 233 H GLY 31 H GLY 31 1.117 -9.262 4.686 234 1HA GLY 31 1HA GLY 31 -1.131 -9.662 4.860 235 2HA GLY 31 2HA GLY 31 -1.393 -8.091 4.120 236 H VAL 32 H VAL 32 -3.130 -8.840 2.925 237 HA VAL 32 HA VAL 32 -3.151 -11.139 1.309 238 HB VAL 32 HB VAL 32 -4.761 -8.613 0.886 239 1HG1 VAL 32 1HG1 VAL 32 -4.917 -10.164 -0.976 240 2HG1 VAL 32 2HG1 VAL 32 -6.435 -10.123 -0.076 241 3HG1 VAL 32 3HG1 VAL 32 -5.323 -11.476 0.131 242 1HG2 VAL 32 1HG2 VAL 32 -6.447 -9.630 2.326 243 2HG2 VAL 32 2HG2 VAL 32 -4.933 -9.372 3.194 244 3HG2 VAL 32 3HG2 VAL 32 -5.364 -10.989 2.638 245 H ALA 33 H ALA 33 -1.571 -8.160 0.855 246 HA ALA 33 HA ALA 33 -1.641 -7.888 -1.947 247 1HB ALA 33 1HB ALA 33 -0.925 -6.092 -0.463 248 2HB ALA 33 2HB ALA 33 0.305 -6.444 -1.677 249 3HB ALA 33 3HB ALA 33 0.509 -7.019 -0.023 250 H LYS 34 H LYS 34 -0.143 -10.235 -0.015 251 HA LYS 34 HA LYS 34 2.108 -10.786 -1.682 252 1HB LYS 34 1HB LYS 34 0.711 -12.517 0.365 253 2HB LYS 34 2HB LYS 34 2.264 -12.868 -0.372 254 1HG LYS 34 1HG LYS 34 3.214 -10.862 0.631 255 2HG LYS 34 2HG LYS 34 1.650 -10.480 1.352 256 1HD LYS 34 1HD LYS 34 3.324 -12.927 1.924 257 2HD LYS 34 2HD LYS 34 3.134 -11.526 2.980 258 1HE LYS 34 1HE LYS 34 0.712 -11.994 3.102 259 2HE LYS 34 2HE LYS 34 0.965 -13.439 2.126 260 1HZ LYS 34 1HZ LYS 34 0.891 -14.069 4.407 261 2HZ LYS 34 2HZ LYS 34 2.046 -12.902 4.837 262 3HZ LYS 34 3HZ LYS 34 2.500 -14.231 3.885 263 H VAL 35 H VAL 35 -1.188 -12.039 -1.442 264 HA VAL 35 HA VAL 35 -0.652 -14.025 -3.506 265 HB VAL 35 HB VAL 35 -2.933 -14.818 -3.114 266 1HG1 VAL 35 1HG1 VAL 35 -1.360 -14.386 -0.579 267 2HG1 VAL 35 2HG1 VAL 35 -1.145 -15.701 -1.733 268 3HG1 VAL 35 3HG1 VAL 35 -2.638 -15.583 -0.800 269 1HG2 VAL 35 1HG2 VAL 35 -4.044 -12.726 -2.620 270 2HG2 VAL 35 2HG2 VAL 35 -3.111 -12.549 -1.135 271 3HG2 VAL 35 3HG2 VAL 35 -4.285 -13.856 -1.287 272 H ILE 36 H ILE 36 -2.029 -10.891 -3.176 273 HA ILE 36 HA ILE 36 -3.513 -10.893 -5.619 274 HB ILE 36 HB ILE 36 -2.405 -8.631 -3.942 275 1HG1 ILE 36 1HG1 ILE 36 -5.252 -9.613 -4.241 276 2HG1 ILE 36 2HG1 ILE 36 -4.184 -10.077 -2.922 277 1HG2 ILE 36 1HG2 ILE 36 -4.326 -8.487 -6.259 278 2HG2 ILE 36 2HG2 ILE 36 -2.667 -7.888 -6.244 279 3HG2 ILE 36 3HG2 ILE 36 -3.883 -7.147 -5.203 280 1HD1 ILE 36 1HD1 ILE 36 -5.084 -7.277 -3.547 281 2HD1 ILE 36 2HD1 ILE 36 -4.049 -7.764 -2.204 282 3HD1 ILE 36 3HD1 ILE 36 -5.723 -8.312 -2.271 283 H GLU 37 H GLU 37 -2.841 -10.205 -7.663 284 HA GLU 37 HA GLU 37 -0.085 -10.503 -8.259 285 1HB GLU 37 1HB GLU 37 -0.717 -9.836 -10.557 286 2HB GLU 37 2HB GLU 37 -1.727 -11.122 -9.915 287 1HG GLU 37 1HG GLU 37 -3.497 -9.522 -9.451 288 2HG GLU 37 2HG GLU 37 -2.480 -8.212 -10.054 289 H LYS 38 H LYS 38 1.403 -8.972 -8.965 290 HA LYS 38 HA LYS 38 1.190 -6.516 -7.505 291 1HB LYS 38 1HB LYS 38 3.354 -7.862 -9.082 292 2HB LYS 38 2HB LYS 38 3.529 -6.172 -8.629 293 1HG LYS 38 1HG LYS 38 4.589 -7.875 -7.085 294 2HG LYS 38 2HG LYS 38 3.544 -6.673 -6.330 295 1HD LYS 38 1HD LYS 38 1.723 -8.295 -6.245 296 2HD LYS 38 2HD LYS 38 2.736 -9.494 -7.046 297 1HE LYS 38 1HE LYS 38 3.571 -8.220 -4.463 298 2HE LYS 38 2HE LYS 38 2.481 -9.606 -4.488 299 1HZ LYS 38 1HZ LYS 38 4.147 -10.877 -5.658 300 2HZ LYS 38 2HZ LYS 38 4.798 -10.272 -4.214 301 3HZ LYS 38 3HZ LYS 38 5.197 -9.546 -5.697 302 H SER 39 H SER 39 1.259 -7.456 -10.900 303 HA SER 39 HA SER 39 0.644 -6.404 -12.807 304 1HB SER 39 1HB SER 39 -1.437 -5.076 -12.639 305 2HB SER 39 2HB SER 39 -1.520 -6.561 -11.698 306 HG SER 39 HG SER 39 -0.621 -4.839 -10.013 307 HA PRO 40 HA PRO 40 2.416 -2.266 -13.259 308 1HB PRO 40 1HB PRO 40 0.753 -0.804 -14.784 309 2HB PRO 40 2HB PRO 40 1.638 -2.189 -15.434 310 1HG PRO 40 1HG PRO 40 -1.208 -2.021 -14.519 311 2HG PRO 40 2HG PRO 40 -0.544 -2.801 -15.966 312 1HD PRO 40 1HD PRO 40 -1.191 -4.159 -13.694 313 2HD PRO 40 2HD PRO 40 0.080 -4.683 -14.814 314 H ILE 41 H ILE 41 0.970 -2.570 -10.803 315 HA ILE 41 HA ILE 41 -0.793 -0.472 -10.224 316 HB ILE 41 HB ILE 41 1.109 -1.996 -8.443 317 1HG1 ILE 41 1HG1 ILE 41 -1.892 -2.052 -8.787 318 2HG1 ILE 41 2HG1 ILE 41 -0.760 -3.267 -9.369 319 1HG2 ILE 41 1HG2 ILE 41 0.767 0.206 -7.452 320 2HG2 ILE 41 2HG2 ILE 41 -0.057 -1.041 -6.516 321 3HG2 ILE 41 3HG2 ILE 41 -0.979 0.009 -7.593 322 1HD1 ILE 41 1HD1 ILE 41 -0.144 -3.773 -7.047 323 2HD1 ILE 41 2HD1 ILE 41 -1.860 -4.035 -7.367 324 3HD1 ILE 41 3HD1 ILE 41 -1.336 -2.595 -6.494 325 H ALA 42 H ALA 42 2.733 -0.603 -10.192 326 HA ALA 42 HA ALA 42 3.258 1.797 -8.860 327 1HB ALA 42 1HB ALA 42 4.986 0.145 -9.328 328 2HB ALA 42 2HB ALA 42 5.449 1.732 -9.942 329 3HB ALA 42 3HB ALA 42 4.866 0.495 -11.051 330 H GLU 43 H GLU 43 2.433 1.176 -12.207 331 HA GLU 43 HA GLU 43 3.003 3.759 -13.208 332 1HB GLU 43 1HB GLU 43 2.697 1.764 -14.639 333 2HB GLU 43 2HB GLU 43 0.994 1.732 -14.204 334 1HG GLU 43 1HG GLU 43 0.712 3.953 -15.215 335 2HG GLU 43 2HG GLU 43 2.404 3.922 -15.707 336 H ILE 44 H ILE 44 0.169 2.299 -11.719 337 HA ILE 44 HA ILE 44 -1.491 4.599 -12.191 338 HB ILE 44 HB ILE 44 -2.005 2.413 -10.173 339 1HG1 ILE 44 1HG1 ILE 44 -1.528 1.386 -12.359 340 2HG1 ILE 44 2HG1 ILE 44 -3.230 1.219 -11.941 341 1HG2 ILE 44 1HG2 ILE 44 -4.354 2.975 -10.581 342 2HG2 ILE 44 2HG2 ILE 44 -3.855 4.228 -11.718 343 3HG2 ILE 44 3HG2 ILE 44 -3.444 4.375 -10.008 344 1HD1 ILE 44 1HD1 ILE 44 -2.931 1.774 -14.291 345 2HD1 ILE 44 2HD1 ILE 44 -2.075 3.250 -13.840 346 3HD1 ILE 44 3HD1 ILE 44 -3.782 3.060 -13.438 347 H ILE 45 H ILE 45 0.694 3.485 -9.722 348 HA ILE 45 HA ILE 45 -0.131 5.132 -7.596 349 HB ILE 45 HB ILE 45 2.638 4.086 -8.228 350 1HG1 ILE 45 1HG1 ILE 45 0.560 3.118 -6.261 351 2HG1 ILE 45 2HG1 ILE 45 0.909 2.365 -7.815 352 1HG2 ILE 45 1HG2 ILE 45 3.182 4.574 -5.897 353 2HG2 ILE 45 2HG2 ILE 45 1.601 5.324 -5.682 354 3HG2 ILE 45 3HG2 ILE 45 2.776 6.042 -6.783 355 1HD1 ILE 45 1HD1 ILE 45 3.191 1.917 -7.075 356 2HD1 ILE 45 2HD1 ILE 45 1.995 1.176 -6.012 357 3HD1 ILE 45 3HD1 ILE 45 2.823 2.653 -5.516 358 H ARG 46 H ARG 46 2.247 5.672 -10.188 359 HA ARG 46 HA ARG 46 2.955 8.261 -9.294 360 1HB ARG 46 1HB ARG 46 3.917 8.524 -11.573 361 2HB ARG 46 2HB ARG 46 4.498 7.125 -10.691 362 1HG ARG 46 1HG ARG 46 3.008 5.701 -11.998 363 2HG ARG 46 2HG ARG 46 2.436 7.121 -12.880 364 1HD ARG 46 1HD ARG 46 5.247 6.032 -12.831 365 2HD ARG 46 2HD ARG 46 4.120 5.987 -14.188 366 HE ARG 46 HE ARG 46 4.250 8.593 -13.806 367 1HH1 ARG 46 1HH1 ARG 46 6.845 6.231 -13.784 368 2HH1 ARG 46 2HH1 ARG 46 8.055 7.375 -14.305 369 1HH2 ARG 46 1HH2 ARG 46 5.837 10.094 -14.472 370 2HH2 ARG 46 2HH2 ARG 46 7.477 9.562 -14.717 371 H LYS 47 H LYS 47 0.597 7.097 -11.660 372 HA LYS 47 HA LYS 47 -0.321 9.589 -12.543 373 1HB LYS 47 1HB LYS 47 -1.894 7.034 -12.138 374 2HB LYS 47 2HB LYS 47 -2.468 8.435 -13.033 375 1HG LYS 47 1HG LYS 47 -0.571 8.161 -14.594 376 2HG LYS 47 2HG LYS 47 -0.122 6.687 -13.731 377 1HD LYS 47 1HD LYS 47 -2.332 5.735 -14.253 378 2HD LYS 47 2HD LYS 47 -2.732 7.196 -15.161 379 1HE LYS 47 1HE LYS 47 -0.721 6.743 -16.586 380 2HE LYS 47 2HE LYS 47 -0.563 5.196 -15.764 381 1HZ LYS 47 1HZ LYS 47 -1.737 4.984 -17.864 382 2HZ LYS 47 2HZ LYS 47 -2.925 6.073 -17.339 383 3HZ LYS 47 3HZ LYS 47 -2.747 4.572 -16.570 384 H SER 48 H SER 48 -1.367 7.601 -9.800 385 HA SER 48 HA SER 48 -3.281 9.451 -8.832 386 1HB SER 48 1HB SER 48 -1.821 7.281 -7.316 387 2HB SER 48 2HB SER 48 -3.336 8.053 -6.852 388 HG SER 48 HG SER 48 -2.858 6.377 -9.094 389 H ASN 49 H ASN 49 0.147 9.204 -8.560 390 HA ASN 49 HA ASN 49 0.491 10.715 -6.189 391 1HB ASN 49 1HB ASN 49 2.330 9.396 -6.988 392 2HB ASN 49 2HB ASN 49 2.305 10.200 -8.552 393 1HD2 ASN 49 1HD2 ASN 49 3.363 12.103 -8.812 394 2HD2 ASN 49 2HD2 ASN 49 4.355 12.828 -7.590 395 H ALA 50 H ALA 50 0.135 11.541 -9.576 396 HA ALA 50 HA ALA 50 0.481 14.368 -9.137 397 1HB ALA 50 1HB ALA 50 -0.663 12.884 -11.503 398 2HB ALA 50 2HB ALA 50 1.020 13.371 -11.300 399 3HB ALA 50 3HB ALA 50 -0.238 14.596 -11.466 400 H GLU 51 H GLU 51 -2.084 12.077 -8.974 401 HA GLU 51 HA GLU 51 -4.237 13.946 -9.232 402 1HB GLU 51 1HB GLU 51 -4.120 11.093 -8.267 403 2HB GLU 51 2HB GLU 51 -5.612 12.018 -8.360 404 1HG GLU 51 1HG GLU 51 -3.802 11.303 -10.655 405 2HG GLU 51 2HG GLU 51 -5.384 10.606 -10.295 406 H LEU 52 H LEU 52 -2.469 12.524 -6.530 407 HA LEU 52 HA LEU 52 -3.902 14.291 -4.700 408 1HB LEU 52 1HB LEU 52 -4.241 12.388 -3.115 409 2HB LEU 52 2HB LEU 52 -5.229 12.334 -4.559 410 HG LEU 52 HG LEU 52 -3.596 10.679 -5.522 411 1HD1 LEU 52 1HD1 LEU 52 -2.558 10.562 -2.693 412 2HD1 LEU 52 2HD1 LEU 52 -1.673 11.171 -4.092 413 3HD1 LEU 52 3HD1 LEU 52 -2.131 9.469 -4.012 414 1HD2 LEU 52 1HD2 LEU 52 -5.681 9.929 -4.656 415 2HD2 LEU 52 2HD2 LEU 52 -5.074 9.999 -3.002 416 3HD2 LEU 52 3HD2 LEU 52 -4.421 8.811 -4.129 417 H GLY 53 H GLY 53 -2.999 13.799 -2.364 418 1HA GLY 53 1HA GLY 53 -0.109 13.243 -2.537 419 2HA GLY 53 2HA GLY 53 -0.752 14.544 -1.540 420 H ARG 54 H ARG 54 -2.501 13.793 0.047 421 HA ARG 54 HA ARG 54 -1.208 11.630 1.541 422 1HB ARG 54 1HB ARG 54 -1.613 14.033 2.410 423 2HB ARG 54 2HB ARG 54 -3.278 13.514 2.636 424 1HG ARG 54 1HG ARG 54 -2.000 13.319 4.696 425 2HG ARG 54 2HG ARG 54 -2.531 11.733 4.126 426 1HD ARG 54 1HD ARG 54 -0.335 11.302 3.198 427 2HD ARG 54 2HD ARG 54 0.201 12.919 3.650 428 HE ARG 54 HE ARG 54 -0.606 11.808 6.006 429 1HH1 ARG 54 1HH1 ARG 54 1.627 10.813 3.491 430 2HH1 ARG 54 2HH1 ARG 54 2.714 10.024 4.593 431 1HH2 ARG 54 1HH2 ARG 54 0.828 10.777 7.453 432 2HH2 ARG 54 2HH2 ARG 54 2.258 10.008 6.841 433 H LEU 55 H LEU 55 -3.580 11.618 -0.582 434 HA LEU 55 HA LEU 55 -5.479 10.069 1.031 435 1HB LEU 55 1HB LEU 55 -5.785 11.122 -1.784 436 2HB LEU 55 2HB LEU 55 -7.005 10.233 -0.895 437 HG LEU 55 HG LEU 55 -7.700 12.448 -0.750 438 1HD1 LEU 55 1HD1 LEU 55 -7.742 11.366 1.421 439 2HD1 LEU 55 2HD1 LEU 55 -7.436 13.095 1.587 440 3HD1 LEU 55 3HD1 LEU 55 -6.109 11.946 1.757 441 1HD2 LEU 55 1HD2 LEU 55 -4.863 13.234 -0.112 442 2HD2 LEU 55 2HD2 LEU 55 -6.245 14.327 -0.186 443 3HD2 LEU 55 3HD2 LEU 55 -5.700 13.495 -1.642 444 H GLY 56 H GLY 56 -6.462 8.152 -0.077 445 1HA GLY 56 1HA GLY 56 -4.346 6.643 -1.474 446 2HA GLY 56 2HA GLY 56 -5.543 5.925 -0.408 447 H TYR 57 H TYR 57 -4.834 7.033 -3.563 448 HA TYR 57 HA TYR 57 -7.467 6.940 -4.655 449 1HB TYR 57 1HB TYR 57 -5.328 8.092 -5.569 450 2HB TYR 57 2HB TYR 57 -4.930 6.512 -6.216 451 HD1 TYR 57 HD1 TYR 57 -7.310 9.310 -6.383 452 HD2 TYR 57 HD2 TYR 57 -6.026 5.668 -8.161 453 HE1 TYR 57 HE1 TYR 57 -8.635 9.833 -8.386 454 HE2 TYR 57 HE2 TYR 57 -7.346 6.172 -10.168 455 HH TYR 57 HH TYR 57 -8.711 9.284 -10.728 456 H SER 58 H SER 58 -8.576 5.196 -5.459 457 HA SER 58 HA SER 58 -7.618 2.574 -4.938 458 1HB SER 58 1HB SER 58 -9.926 3.430 -6.704 459 2HB SER 58 2HB SER 58 -9.669 1.823 -6.024 460 HG SER 58 HG SER 58 -11.130 3.475 -4.913 461 H VAL 59 H VAL 59 -5.968 1.752 -6.026 462 HA VAL 59 HA VAL 59 -5.644 2.469 -8.854 463 HB VAL 59 HB VAL 59 -3.308 1.834 -8.633 464 1HG1 VAL 59 1HG1 VAL 59 -4.138 3.618 -6.353 465 2HG1 VAL 59 2HG1 VAL 59 -4.042 4.117 -8.043 466 3HG1 VAL 59 3HG1 VAL 59 -2.583 3.616 -7.187 467 1HG2 VAL 59 1HG2 VAL 59 -2.345 1.219 -6.463 468 2HG2 VAL 59 2HG2 VAL 59 -3.532 0.028 -6.995 469 3HG2 VAL 59 3HG2 VAL 59 -3.958 1.203 -5.749 470 H TYR 60 H TYR 60 -5.964 -0.242 -6.673 471 HA TYR 60 HA TYR 60 -6.213 -1.982 -9.024 472 1HB TYR 60 1HB TYR 60 -4.097 -2.475 -7.838 473 2HB TYR 60 2HB TYR 60 -5.008 -2.767 -6.359 474 HD1 TYR 60 HD1 TYR 60 -6.247 -4.820 -6.046 475 HD2 TYR 60 HD2 TYR 60 -4.216 -4.057 -9.708 476 HE1 TYR 60 HE1 TYR 60 -6.548 -7.170 -6.692 477 HE2 TYR 60 HE2 TYR 60 -4.509 -6.410 -10.361 478 HH TYR 60 HH TYR 60 -6.621 -8.525 -8.714 479 H GLU 61 H GLU 61 -8.376 -2.088 -9.141 480 HA GLU 61 HA GLU 61 -9.847 -2.754 -6.699 481 1HB GLU 61 1HB GLU 61 -10.732 -0.880 -7.935 482 2HB GLU 61 2HB GLU 61 -10.793 -1.827 -9.414 483 1HG GLU 61 1HG GLU 61 -12.556 -3.182 -8.562 484 2HG GLU 61 2HG GLU 61 -12.388 -2.482 -6.952 485 H ASP 62 H ASP 62 -10.088 -4.805 -6.289 486 HA ASP 62 HA ASP 62 -10.454 -6.711 -8.506 487 1HB ASP 62 1HB ASP 62 -8.402 -7.112 -7.155 488 2HB ASP 62 2HB ASP 62 -9.391 -7.207 -5.703 489 H ALA 63 H ALA 63 -11.904 -8.589 -7.809 490 HA ALA 63 HA ALA 63 -14.364 -7.482 -6.950 491 1HB ALA 63 1HB ALA 63 -13.615 -10.375 -7.342 492 2HB ALA 63 2HB ALA 63 -14.261 -9.295 -8.578 493 3HB ALA 63 3HB ALA 63 -15.253 -9.741 -7.191 494 H GLN 64 H GLN 64 -11.739 -8.887 -5.273 495 HA GLN 64 HA GLN 64 -13.389 -9.456 -2.915 496 1HB GLN 64 1HB GLN 64 -10.436 -9.948 -3.277 497 2HB GLN 64 2HB GLN 64 -11.494 -10.638 -2.054 498 1HG GLN 64 1HG GLN 64 -12.640 -11.944 -3.703 499 2HG GLN 64 2HG GLN 64 -11.745 -11.157 -5.004 500 1HE2 GLN 64 1HE2 GLN 64 -9.529 -11.591 -5.228 501 2HE2 GLN 64 2HE2 GLN 64 -8.829 -13.040 -4.586 502 H TYR 65 H TYR 65 -10.454 -7.635 -3.812 503 HA TYR 65 HA TYR 65 -10.885 -5.920 -1.460 504 1HB TYR 65 1HB TYR 65 -8.152 -6.847 -2.326 505 2HB TYR 65 2HB TYR 65 -8.580 -6.007 -0.845 506 HD1 TYR 65 HD1 TYR 65 -8.335 -9.216 -2.517 507 HD2 TYR 65 HD2 TYR 65 -9.752 -7.235 0.970 508 HE1 TYR 65 HE1 TYR 65 -8.559 -11.383 -1.380 509 HE2 TYR 65 HE2 TYR 65 -9.975 -9.397 2.115 510 HH TYR 65 HH TYR 65 -10.196 -11.731 1.629 511 H ILE 66 H ILE 66 -9.465 -3.908 -1.599 512 HA ILE 66 HA ILE 66 -9.030 -3.064 -4.377 513 HB ILE 66 HB ILE 66 -10.524 -1.478 -2.283 514 1HG1 ILE 66 1HG1 ILE 66 -11.431 -2.539 -4.967 515 2HG1 ILE 66 2HG1 ILE 66 -11.862 -3.230 -3.409 516 1HG2 ILE 66 1HG2 ILE 66 -9.060 -0.033 -3.575 517 2HG2 ILE 66 2HG2 ILE 66 -10.743 0.248 -4.017 518 3HG2 ILE 66 3HG2 ILE 66 -9.696 -0.699 -5.077 519 1HD1 ILE 66 1HD1 ILE 66 -13.011 -1.156 -2.817 520 2HD1 ILE 66 2HD1 ILE 66 -13.665 -1.879 -4.286 521 3HD1 ILE 66 3HD1 ILE 66 -12.593 -0.484 -4.394 522 H GLY 67 H GLY 67 -7.119 -2.141 -4.649 523 1HA GLY 67 1HA GLY 67 -5.502 -1.514 -2.284 524 2HA GLY 67 2HA GLY 67 -4.906 -1.728 -3.924 525 H HIS 68 H HIS 68 -4.537 0.458 -1.915 526 HA HIS 68 HA HIS 68 -5.492 2.704 -3.569 527 1HB HIS 68 1HB HIS 68 -5.211 2.810 -0.559 528 2HB HIS 68 2HB HIS 68 -5.939 4.017 -1.610 529 HD1 HIS 68 HD1 HIS 68 -8.394 3.676 -2.277 530 HD2 HIS 68 HD2 HIS 68 -6.833 0.581 0.021 531 HE1 HIS 68 HE1 HIS 68 -10.373 2.287 -1.573 532 HE2 HIS 68 HE2 HIS 68 -9.412 0.497 -0.072 533 H ALA 69 H ALA 69 -3.881 4.007 -4.246 534 HA ALA 69 HA ALA 69 -1.184 3.556 -3.288 535 1HB ALA 69 1HB ALA 69 -0.540 5.245 -4.974 536 2HB ALA 69 2HB ALA 69 -2.248 5.484 -5.346 537 3HB ALA 69 3HB ALA 69 -1.488 3.921 -5.652 538 H PHE 70 H PHE 70 -0.258 4.591 -1.678 539 HA PHE 70 HA PHE 70 -1.248 7.274 -0.977 540 1HB PHE 70 1HB PHE 70 -0.180 5.058 0.761 541 2HB PHE 70 2HB PHE 70 -0.250 6.729 1.316 542 HD1 PHE 70 HD1 PHE 70 -2.334 7.788 1.813 543 HD2 PHE 70 HD2 PHE 70 -2.208 3.780 0.399 544 HE1 PHE 70 HE1 PHE 70 -4.673 7.477 2.500 545 HE2 PHE 70 HE2 PHE 70 -4.546 3.460 1.086 546 HZ PHE 70 HZ PHE 70 -5.780 5.311 2.136 547 H LYS 71 H LYS 71 0.175 8.896 -0.767 548 HA LYS 71 HA LYS 71 2.944 8.424 -1.472 549 1HB LYS 71 1HB LYS 71 1.229 10.824 -1.078 550 2HB LYS 71 2HB LYS 71 2.959 11.016 -0.815 551 1HG LYS 71 1HG LYS 71 2.622 11.635 -3.032 552 2HG LYS 71 2HG LYS 71 3.247 9.993 -3.133 553 1HD LYS 71 1HD LYS 71 0.295 10.413 -3.056 554 2HD LYS 71 2HD LYS 71 1.164 10.743 -4.553 555 1HE LYS 71 1HE LYS 71 2.034 8.480 -4.581 556 2HE LYS 71 2HE LYS 71 1.273 8.141 -3.028 557 1HZ LYS 71 1HZ LYS 71 -0.884 8.424 -4.037 558 2HZ LYS 71 2HZ LYS 71 -0.003 7.271 -4.905 559 3HZ LYS 71 3HZ LYS 71 -0.183 8.834 -5.521 560 H LYS 72 H LYS 72 4.445 7.957 -0.056 561 HA LYS 72 HA LYS 72 3.890 8.424 2.804 562 1HB LYS 72 1HB LYS 72 5.610 6.289 1.520 563 2HB LYS 72 2HB LYS 72 5.303 6.467 3.242 564 1HG LYS 72 1HG LYS 72 3.132 5.968 1.226 565 2HG LYS 72 2HG LYS 72 3.986 4.681 2.074 566 1HD LYS 72 1HD LYS 72 2.400 6.892 3.381 567 2HD LYS 72 2HD LYS 72 1.846 5.233 3.148 568 1HE LYS 72 1HE LYS 72 3.836 4.491 4.487 569 2HE LYS 72 2HE LYS 72 4.134 6.187 4.856 570 1HZ LYS 72 1HZ LYS 72 1.818 6.245 5.767 571 2HZ LYS 72 2HZ LYS 72 2.914 5.298 6.646 572 3HZ LYS 72 3HZ LYS 72 1.785 4.553 5.625 573 H ALA 73 H ALA 73 6.266 8.127 3.961 574 HA ALA 73 HA ALA 73 7.582 10.561 3.332 575 1HB ALA 73 1HB ALA 73 8.548 8.329 5.115 576 2HB ALA 73 2HB ALA 73 7.474 9.637 5.610 577 3HB ALA 73 3HB ALA 73 9.126 9.994 5.107 578 H GLY 74 H GLY 74 8.376 10.566 1.291 579 1HA GLY 74 1HA GLY 74 9.945 10.270 -0.358 580 2HA GLY 74 2HA GLY 74 10.945 9.460 0.838 581 H HIS 75 H HIS 75 7.816 8.130 0.408 582 HA HIS 75 HA HIS 75 8.800 6.113 -1.464 583 1HB HIS 75 1HB HIS 75 7.879 5.538 1.348 584 2HB HIS 75 2HB HIS 75 7.911 4.306 0.092 585 HD1 HIS 75 HD1 HIS 75 9.797 5.153 2.846 586 HD2 HIS 75 HD2 HIS 75 10.801 4.555 -1.146 587 HE1 HIS 75 HE1 HIS 75 12.264 4.657 2.830 588 HE2 HIS 75 HE2 HIS 75 12.883 4.549 0.387 589 H PHE 76 H PHE 76 6.985 4.451 -1.864 590 HA PHE 76 HA PHE 76 4.368 5.793 -1.857 591 1HB PHE 76 1HB PHE 76 5.669 4.305 -4.149 592 2HB PHE 76 2HB PHE 76 3.990 4.845 -4.134 593 HD1 PHE 76 HD1 PHE 76 3.575 7.360 -3.884 594 HD2 PHE 76 HD2 PHE 76 7.346 5.689 -4.926 595 HE1 PHE 76 HE1 PHE 76 4.268 9.522 -4.824 596 HE2 PHE 76 HE2 PHE 76 8.047 7.847 -5.868 597 HZ PHE 76 HZ PHE 76 6.507 9.773 -5.818 598 H ILE 77 H ILE 77 2.956 4.523 -0.770 599 HA ILE 77 HA ILE 77 3.424 1.618 -0.918 600 HB ILE 77 HB ILE 77 2.522 3.150 1.524 601 1HG1 ILE 77 1HG1 ILE 77 5.073 1.642 0.915 602 2HG1 ILE 77 2HG1 ILE 77 4.914 3.383 1.099 603 1HG2 ILE 77 1HG2 ILE 77 2.587 0.988 2.673 604 2HG2 ILE 77 2HG2 ILE 77 2.964 0.189 1.147 605 3HG2 ILE 77 3HG2 ILE 77 1.406 0.989 1.365 606 1HD1 ILE 77 1HD1 ILE 77 5.888 2.350 3.077 607 2HD1 ILE 77 2HD1 ILE 77 4.453 1.344 3.266 608 3HD1 ILE 77 3HD1 ILE 77 4.331 3.095 3.444 609 H VAL 78 H VAL 78 1.749 0.379 -1.373 610 HA VAL 78 HA VAL 78 -0.863 1.679 -1.716 611 HB VAL 78 HB VAL 78 0.144 -0.926 -2.875 612 1HG1 VAL 78 1HG1 VAL 78 -2.393 0.599 -3.453 613 2HG1 VAL 78 2HG1 VAL 78 -2.284 -0.904 -2.538 614 3HG1 VAL 78 3HG1 VAL 78 -1.865 -0.883 -4.251 615 1HG2 VAL 78 1HG2 VAL 78 1.298 0.974 -3.831 616 2HG2 VAL 78 2HG2 VAL 78 -0.242 1.772 -4.154 617 3HG2 VAL 78 3HG2 VAL 78 0.177 0.286 -5.006 618 H TYR 79 H TYR 79 -2.196 1.385 -0.078 619 HA TYR 79 HA TYR 79 -1.955 -0.982 1.593 620 1HB TYR 79 1HB TYR 79 -3.579 1.552 1.856 621 2HB TYR 79 2HB TYR 79 -3.686 0.207 2.981 622 HD1 TYR 79 HD1 TYR 79 -2.222 0.080 4.800 623 HD2 TYR 79 HD2 TYR 79 -1.258 2.639 1.545 624 HE1 TYR 79 HE1 TYR 79 -0.337 0.999 6.081 625 HE2 TYR 79 HE2 TYR 79 0.626 3.558 2.813 626 HH TYR 79 HH TYR 79 1.720 2.161 5.779 627 H PHE 80 H PHE 80 -3.168 -2.692 1.273 628 HA PHE 80 HA PHE 80 -5.432 -2.507 -0.556 629 1HB PHE 80 1HB PHE 80 -3.822 -4.836 0.491 630 2HB PHE 80 2HB PHE 80 -5.284 -5.033 -0.464 631 HD1 PHE 80 HD1 PHE 80 -1.811 -3.851 -0.505 632 HD2 PHE 80 HD2 PHE 80 -5.288 -4.666 -2.817 633 HE1 PHE 80 HE1 PHE 80 -0.481 -3.667 -2.566 634 HE2 PHE 80 HE2 PHE 80 -3.965 -4.485 -4.881 635 HZ PHE 80 HZ PHE 80 -1.558 -3.984 -4.758 636 H THR 81 H THR 81 -7.363 -2.291 0.276 637 HA THR 81 HA THR 81 -7.938 -3.493 2.906 638 HB THR 81 HB THR 81 -9.776 -1.896 3.110 639 HG1 THR 81 HG1 THR 81 -10.379 -1.597 0.968 640 1HG2 THR 81 1HG2 THR 81 -7.630 -1.128 3.924 641 2HG2 THR 81 2HG2 THR 81 -8.504 0.220 3.197 642 3HG2 THR 81 3HG2 THR 81 -7.192 -0.560 2.313 643 HA PRO 82 HA PRO 82 -11.010 -6.037 0.783 644 1HB PRO 82 1HB PRO 82 -13.146 -5.778 2.513 645 2HB PRO 82 2HB PRO 82 -11.832 -6.939 2.728 646 1HG PRO 82 1HG PRO 82 -12.244 -4.279 4.023 647 2HG PRO 82 2HG PRO 82 -11.611 -5.782 4.719 648 1HD PRO 82 1HD PRO 82 -10.002 -3.734 4.004 649 2HD PRO 82 2HD PRO 82 -9.492 -5.429 3.869 650 H LYS 83 H LYS 83 -12.816 -5.628 -0.589 651 HA LYS 83 HA LYS 83 -13.351 -3.160 -1.581 652 1HB LYS 83 1HB LYS 83 -14.982 -5.631 -1.411 653 2HB LYS 83 2HB LYS 83 -15.817 -4.153 -1.864 654 1HG LYS 83 1HG LYS 83 -14.122 -3.858 -3.683 655 2HG LYS 83 2HG LYS 83 -13.520 -5.470 -3.284 656 1HD LYS 83 1HD LYS 83 -15.568 -6.484 -3.870 657 2HD LYS 83 2HD LYS 83 -16.408 -4.932 -3.923 658 1HE LYS 83 1HE LYS 83 -14.219 -5.809 -5.794 659 2HE LYS 83 2HE LYS 83 -15.941 -5.822 -6.164 660 1HZ LYS 83 1HZ LYS 83 -14.255 -3.446 -5.616 661 2HZ LYS 83 2HZ LYS 83 -15.934 -3.388 -5.804 662 3HZ LYS 83 3HZ LYS 83 -14.953 -3.879 -7.095 663 H ASN 84 H ASN 84 -13.582 -1.435 -0.281 664 HA ASN 84 HA ASN 84 -15.835 -1.446 1.607 665 1HB ASN 84 1HB ASN 84 -13.519 -0.985 2.545 666 2HB ASN 84 2HB ASN 84 -13.512 0.494 1.589 667 1HD2 ASN 84 1HD2 ASN 84 -14.719 -1.099 4.383 668 2HD2 ASN 84 2HD2 ASN 84 -15.579 0.252 5.050 669 H LYS 85 H LYS 85 -17.322 -1.019 -0.053 670 HA LYS 85 HA LYS 85 -17.378 1.792 -0.826 671 1HB LYS 85 1HB LYS 85 -16.367 0.479 -2.704 672 2HB LYS 85 2HB LYS 85 -17.859 -0.445 -2.803 673 1HG LYS 85 1HG LYS 85 -19.088 1.596 -3.350 674 2HG LYS 85 2HG LYS 85 -17.586 2.521 -3.254 675 1HD LYS 85 1HD LYS 85 -16.644 1.219 -5.076 676 2HD LYS 85 2HD LYS 85 -18.097 0.223 -5.141 677 1HE LYS 85 1HE LYS 85 -19.414 2.218 -5.723 678 2HE LYS 85 2HE LYS 85 -17.937 3.181 -5.707 679 1HZ LYS 85 1HZ LYS 85 -18.451 0.864 -7.492 680 2HZ LYS 85 2HZ LYS 85 -17.066 1.840 -7.502 681 3HZ LYS 85 3HZ LYS 85 -18.568 2.495 -7.950 682 H ASN 86 H ASN 86 -18.918 1.770 0.884 683 HA ASN 86 HA ASN 86 -21.413 0.330 0.453 684 1HB ASN 86 1HB ASN 86 -20.343 0.555 2.732 685 2HB ASN 86 2HB ASN 86 -20.700 2.277 2.660 686 1HD2 ASN 86 1HD2 ASN 86 -22.075 2.320 4.360 687 2HD2 ASN 86 2HD2 ASN 86 -23.635 1.550 4.351 688 H ARG 87 H ARG 87 -23.448 1.447 0.246 689 HA ARG 87 HA ARG 87 -23.221 3.805 -1.370 690 1HB ARG 87 1HB ARG 87 -24.919 2.027 -1.788 691 2HB ARG 87 2HB ARG 87 -25.742 2.516 -0.311 692 1HG ARG 87 1HG ARG 87 -26.794 3.471 -2.300 693 2HG ARG 87 2HG ARG 87 -26.145 4.726 -1.239 694 1HD ARG 87 1HD ARG 87 -24.082 4.720 -2.679 695 2HD ARG 87 2HD ARG 87 -24.954 3.679 -3.800 696 HE ARG 87 HE ARG 87 -26.540 5.921 -3.341 697 1HH1 ARG 87 1HH1 ARG 87 -23.447 5.124 -4.767 698 2HH1 ARG 87 2HH1 ARG 87 -23.445 6.468 -5.867 699 1HH2 ARG 87 1HH2 ARG 87 -26.562 7.703 -4.790 700 2HH2 ARG 87 2HH2 ARG 87 -25.219 7.941 -5.869 701 H GLU 88 H GLU 88 -22.261 5.253 0.087 702 HA GLU 88 HA GLU 88 -24.224 6.635 1.774 703 1HB GLU 88 1HB GLU 88 -21.366 6.003 2.549 704 2HB GLU 88 2HB GLU 88 -22.422 7.095 3.434 705 1HG GLU 88 1HG GLU 88 -23.897 5.301 4.010 706 2HG GLU 88 2HG GLU 88 -23.017 4.185 2.968 707 H GLY 89 H GLY 89 -23.703 8.902 2.087 708 1HA GLY 89 1HA GLY 89 -22.350 9.986 -0.273 709 2HA GLY 89 2HA GLY 89 -23.418 10.867 0.812 710 H VAL 90 H VAL 90 -20.846 8.863 2.001 711 HA VAL 90 HA VAL 90 -19.666 11.135 3.333 712 HB VAL 90 HB VAL 90 -18.794 8.239 3.369 713 1HG1 VAL 90 1HG1 VAL 90 -18.115 10.513 5.233 714 2HG1 VAL 90 2HG1 VAL 90 -17.033 9.806 4.034 715 3HG1 VAL 90 3HG1 VAL 90 -17.587 8.839 5.400 716 1HG2 VAL 90 1HG2 VAL 90 -19.965 8.089 5.509 717 2HG2 VAL 90 2HG2 VAL 90 -21.076 8.495 4.202 718 3HG2 VAL 90 3HG2 VAL 90 -20.533 9.748 5.318 719 H VAL 91 H VAL 91 -18.060 12.293 2.543 720 HA VAL 91 HA VAL 91 -16.210 11.024 0.651 721 HB VAL 91 HB VAL 91 -17.690 12.333 -0.725 722 1HG1 VAL 91 1HG1 VAL 91 -17.021 14.693 1.026 723 2HG1 VAL 91 2HG1 VAL 91 -18.573 13.858 0.961 724 3HG1 VAL 91 3HG1 VAL 91 -17.987 14.739 -0.450 725 1HG2 VAL 91 1HG2 VAL 91 -16.102 13.826 -1.794 726 2HG2 VAL 91 2HG2 VAL 91 -15.317 12.323 -1.306 727 3HG2 VAL 91 3HG2 VAL 91 -15.080 13.792 -0.357 728 HA PRO 92 HA PRO 92 -13.475 12.530 3.838 729 1HB PRO 92 1HB PRO 92 -11.395 11.442 2.060 730 2HB PRO 92 2HB PRO 92 -11.789 11.005 3.725 731 1HG PRO 92 1HG PRO 92 -12.347 9.366 1.680 732 2HG PRO 92 2HG PRO 92 -13.428 9.500 3.083 733 1HD PRO 92 1HD PRO 92 -13.683 10.739 0.366 734 2HD PRO 92 2HD PRO 92 -14.929 9.974 1.376 735 HA PRO 93 HA PRO 93 -11.880 16.338 2.170 736 1HB PRO 93 1HB PRO 93 -9.789 16.120 4.242 737 2HB PRO 93 2HB PRO 93 -11.009 17.374 4.007 738 1HG PRO 93 1HG PRO 93 -11.185 15.635 6.028 739 2HG PRO 93 2HG PRO 93 -12.631 16.203 5.170 740 1HD PRO 93 1HD PRO 93 -11.151 13.611 4.887 741 2HD PRO 93 2HD PRO 93 -12.902 13.909 4.931 742 H VAL 94 H VAL 94 -9.820 17.280 1.373 743 HA VAL 94 HA VAL 94 -8.363 15.200 -0.057 744 HB VAL 94 HB VAL 94 -9.399 17.205 -1.208 745 1HG1 VAL 94 1HG1 VAL 94 -7.061 18.638 0.035 746 2HG1 VAL 94 2HG1 VAL 94 -8.769 18.930 0.365 747 3HG1 VAL 94 3HG1 VAL 94 -8.106 19.286 -1.230 748 1HG2 VAL 94 1HG2 VAL 94 -6.456 16.718 -1.624 749 2HG2 VAL 94 2HG2 VAL 94 -7.542 17.481 -2.784 750 3HG2 VAL 94 3HG2 VAL 94 -7.781 15.795 -2.329 751 H GLY 95 H GLY 95 -7.982 16.529 2.835 752 1HA GLY 95 1HA GLY 95 -5.689 15.642 3.667 753 2HA GLY 95 2HA GLY 95 -5.083 16.918 2.622 754 H ILE 96 H ILE 96 -4.116 17.672 4.646 755 HA ILE 96 HA ILE 96 -5.889 18.775 6.645 756 HB ILE 96 HB ILE 96 -3.770 17.784 7.344 757 1HG1 ILE 96 1HG1 ILE 96 -3.801 20.779 7.781 758 2HG1 ILE 96 2HG1 ILE 96 -4.740 19.605 8.696 759 1HG2 ILE 96 1HG2 ILE 96 -2.438 18.265 5.370 760 2HG2 ILE 96 2HG2 ILE 96 -1.627 18.849 6.823 761 3HG2 ILE 96 3HG2 ILE 96 -2.453 19.986 5.760 762 1HD1 ILE 96 1HD1 ILE 96 -1.738 19.778 8.606 763 2HD1 ILE 96 2HD1 ILE 96 -2.679 18.605 9.527 764 3HD1 ILE 96 3HD1 ILE 96 -2.774 20.321 9.924 765 H THR 97 H THR 97 -4.227 19.843 3.810 766 HA THR 97 HA THR 97 -4.396 22.648 4.482 767 HB THR 97 HB THR 97 -3.574 22.904 2.068 768 HG1 THR 97 HG1 THR 97 -3.808 21.058 1.009 769 1HG2 THR 97 1HG2 THR 97 -1.887 21.338 4.026 770 2HG2 THR 97 2HG2 THR 97 -2.093 23.090 4.008 771 3HG2 THR 97 3HG2 THR 97 -1.280 22.284 2.667 772 H ASN 98 H ASN 98 -5.632 24.177 3.354 773 HA ASN 98 HA ASN 98 -7.656 23.283 1.486 774 1HB ASN 98 1HB ASN 98 -8.734 22.850 3.646 775 2HB ASN 98 2HB ASN 98 -8.410 24.505 4.152 776 1HD2 ASN 98 1HD2 ASN 98 -10.219 22.495 1.936 777 2HD2 ASN 98 2HD2 ASN 98 -11.469 23.654 1.604 Start of MODEL 13 1 H MET 1 H MET 1 -13.851 9.774 -9.230 2 HA MET 1 HA MET 1 -13.549 6.988 -8.281 3 1HB MET 1 1HB MET 1 -11.472 8.301 -8.992 4 2HB MET 1 2HB MET 1 -11.816 9.381 -7.652 5 1HG MET 1 1HG MET 1 -11.563 6.451 -7.165 6 2HG MET 1 2HG MET 1 -10.119 7.437 -7.376 7 1HE MET 1 1HE MET 1 -9.230 6.763 -4.968 8 2HE MET 1 2HE MET 1 -10.643 5.727 -4.778 9 3HE MET 1 3HE MET 1 -10.211 6.872 -3.507 10 H LYS 2 H LYS 2 -13.419 10.324 -6.981 11 HA LYS 2 HA LYS 2 -14.429 11.315 -5.200 12 1HB LYS 2 1HB LYS 2 -16.641 9.666 -6.375 13 2HB LYS 2 2HB LYS 2 -16.918 10.679 -4.967 14 1HG LYS 2 1HG LYS 2 -15.872 11.662 -7.611 15 2HG LYS 2 2HG LYS 2 -17.550 11.770 -7.077 16 1HD LYS 2 1HD LYS 2 -15.169 13.033 -5.719 17 2HD LYS 2 2HD LYS 2 -16.366 13.878 -6.702 18 1HE LYS 2 1HE LYS 2 -18.114 13.199 -5.093 19 2HE LYS 2 2HE LYS 2 -16.875 12.437 -4.098 20 1HZ LYS 2 1HZ LYS 2 -17.352 14.587 -3.216 21 2HZ LYS 2 2HZ LYS 2 -17.135 15.328 -4.725 22 3HZ LYS 2 3HZ LYS 2 -15.807 14.657 -3.916 23 H SER 3 H SER 3 -12.940 8.951 -4.506 24 HA SER 3 HA SER 3 -14.349 8.264 -2.018 25 1HB SER 3 1HB SER 3 -12.708 6.322 -3.669 26 2HB SER 3 2HB SER 3 -13.578 5.962 -2.175 27 HG SER 3 HG SER 3 -14.714 6.753 -4.660 28 H SER 4 H SER 4 -12.330 10.260 -2.661 29 HA SER 4 HA SER 4 -9.768 9.486 -1.830 30 1HB SER 4 1HB SER 4 -9.492 11.947 -1.319 31 2HB SER 4 2HB SER 4 -10.046 11.582 -2.954 32 HG SER 4 HG SER 4 -11.783 12.229 -0.801 33 H ILE 5 H ILE 5 -9.453 8.438 0.012 34 HA ILE 5 HA ILE 5 -10.605 9.552 2.482 35 HB ILE 5 HB ILE 5 -10.048 6.637 1.875 36 1HG1 ILE 5 1HG1 ILE 5 -12.674 8.087 2.265 37 2HG1 ILE 5 2HG1 ILE 5 -12.042 7.523 0.722 38 1HG2 ILE 5 1HG2 ILE 5 -9.639 7.140 4.211 39 2HG2 ILE 5 2HG2 ILE 5 -11.117 6.192 4.040 40 3HG2 ILE 5 3HG2 ILE 5 -11.212 7.927 4.337 41 1HD1 ILE 5 1HD1 ILE 5 -12.800 5.787 3.059 42 2HD1 ILE 5 2HD1 ILE 5 -12.167 5.219 1.514 43 3HD1 ILE 5 3HD1 ILE 5 -13.738 6.020 1.582 44 HA PRO 6 HA PRO 6 -6.353 10.060 3.683 45 1HB PRO 6 1HB PRO 6 -6.775 10.354 6.368 46 2HB PRO 6 2HB PRO 6 -7.050 11.639 5.185 47 1HG PRO 6 1HG PRO 6 -9.017 9.780 6.459 48 2HG PRO 6 2HG PRO 6 -9.160 11.519 6.141 49 1HD PRO 6 1HD PRO 6 -10.329 9.673 4.564 50 2HD PRO 6 2HD PRO 6 -9.690 11.198 3.918 51 H ILE 7 H ILE 7 -4.720 9.029 4.982 52 HA ILE 7 HA ILE 7 -4.941 6.220 4.848 53 HB ILE 7 HB ILE 7 -2.809 7.391 4.516 54 1HG1 ILE 7 1HG1 ILE 7 -1.378 5.850 5.816 55 2HG1 ILE 7 2HG1 ILE 7 -2.761 5.428 6.820 56 1HG2 ILE 7 1HG2 ILE 7 -1.526 8.190 6.458 57 2HG2 ILE 7 2HG2 ILE 7 -2.943 7.926 7.475 58 3HG2 ILE 7 3HG2 ILE 7 -2.998 9.123 6.180 59 1HD1 ILE 7 1HD1 ILE 7 -2.331 3.727 5.150 60 2HD1 ILE 7 2HD1 ILE 7 -2.497 4.925 3.865 61 3HD1 ILE 7 3HD1 ILE 7 -3.889 4.502 4.864 62 H THR 8 H THR 8 -5.430 8.487 7.460 63 HA THR 8 HA THR 8 -5.135 6.780 9.647 64 HB THR 8 HB THR 8 -5.388 9.227 9.851 65 HG1 THR 8 HG1 THR 8 -7.006 7.448 11.327 66 1HG2 THR 8 1HG2 THR 8 -7.634 10.232 9.814 67 2HG2 THR 8 2HG2 THR 8 -8.301 8.701 9.248 68 3HG2 THR 8 3HG2 THR 8 -7.173 9.599 8.235 69 H GLU 9 H GLU 9 -7.602 6.861 7.245 70 HA GLU 9 HA GLU 9 -9.366 5.182 8.878 71 1HB GLU 9 1HB GLU 9 -9.830 6.576 6.238 72 2HB GLU 9 2HB GLU 9 -11.008 5.545 7.036 73 1HG GLU 9 1HG GLU 9 -9.845 8.028 8.267 74 2HG GLU 9 2HG GLU 9 -11.361 7.984 7.368 75 H VAL 10 H VAL 10 -7.632 5.259 5.799 76 HA VAL 10 HA VAL 10 -8.610 2.745 4.906 77 HB VAL 10 HB VAL 10 -6.206 4.319 3.973 78 1HG1 VAL 10 1HG1 VAL 10 -5.977 1.984 3.342 79 2HG1 VAL 10 2HG1 VAL 10 -6.356 2.964 1.926 80 3HG1 VAL 10 3HG1 VAL 10 -7.612 1.983 2.680 81 1HG2 VAL 10 1HG2 VAL 10 -8.284 5.534 3.694 82 2HG2 VAL 10 2HG2 VAL 10 -9.022 4.136 2.912 83 3HG2 VAL 10 3HG2 VAL 10 -7.693 4.987 2.126 84 H LEU 11 H LEU 11 -5.732 3.734 6.687 85 HA LEU 11 HA LEU 11 -4.194 1.444 6.444 86 1HB LEU 11 1HB LEU 11 -3.127 3.231 7.435 87 2HB LEU 11 2HB LEU 11 -4.451 3.559 8.530 88 HG LEU 11 HG LEU 11 -3.852 1.560 9.837 89 1HD1 LEU 11 1HD1 LEU 11 -1.696 0.472 9.450 90 2HD1 LEU 11 2HD1 LEU 11 -1.497 1.407 7.967 91 3HD1 LEU 11 3HD1 LEU 11 -2.811 0.236 8.105 92 1HD2 LEU 11 1HD2 LEU 11 -1.809 2.486 10.825 93 2HD2 LEU 11 2HD2 LEU 11 -3.015 3.731 10.497 94 3HD2 LEU 11 3HD2 LEU 11 -1.623 3.547 9.427 95 HA PRO 12 HA PRO 12 -6.253 -0.516 10.363 96 1HB PRO 12 1HB PRO 12 -8.662 0.523 11.137 97 2HB PRO 12 2HB PRO 12 -7.110 0.996 11.840 98 1HG PRO 12 1HG PRO 12 -8.713 2.354 9.705 99 2HG PRO 12 2HG PRO 12 -7.887 3.064 11.107 100 1HD PRO 12 1HD PRO 12 -6.802 3.159 8.665 101 2HD PRO 12 2HD PRO 12 -5.796 2.918 10.108 102 H ARG 13 H ARG 13 -8.253 0.807 7.783 103 HA ARG 13 HA ARG 13 -10.042 -1.452 7.768 104 1HB ARG 13 1HB ARG 13 -9.641 0.886 5.915 105 2HB ARG 13 2HB ARG 13 -10.808 -0.386 5.599 106 1HG ARG 13 1HG ARG 13 -12.034 0.152 7.585 107 2HG ARG 13 2HG ARG 13 -10.783 1.291 8.097 108 1HD ARG 13 1HD ARG 13 -11.281 2.767 6.296 109 2HD ARG 13 2HD ARG 13 -12.333 1.579 5.531 110 HE ARG 13 HE ARG 13 -14.038 2.244 6.900 111 1HH1 ARG 13 1HH1 ARG 13 -11.022 3.375 8.302 112 2HH1 ARG 13 2HH1 ARG 13 -11.809 4.414 9.448 113 1HH2 ARG 13 1HH2 ARG 13 -15.051 3.625 8.394 114 2HH2 ARG 13 2HH2 ARG 13 -14.089 4.546 9.513 115 H ALA 14 H ALA 14 -6.907 -0.973 6.645 116 HA ALA 14 HA ALA 14 -7.181 -2.527 4.214 117 1HB ALA 14 1HB ALA 14 -4.815 -2.132 3.905 118 2HB ALA 14 2HB ALA 14 -4.678 -1.494 5.542 119 3HB ALA 14 3HB ALA 14 -5.621 -0.622 4.334 120 H VAL 15 H VAL 15 -6.109 -4.478 3.802 121 HA VAL 15 HA VAL 15 -5.444 -6.079 6.193 122 HB VAL 15 HB VAL 15 -6.305 -8.063 4.905 123 1HG1 VAL 15 1HG1 VAL 15 -8.668 -7.599 5.373 124 2HG1 VAL 15 2HG1 VAL 15 -8.293 -5.882 5.531 125 3HG1 VAL 15 3HG1 VAL 15 -7.621 -7.042 6.679 126 1HG2 VAL 15 1HG2 VAL 15 -7.843 -7.656 3.047 127 2HG2 VAL 15 2HG2 VAL 15 -6.220 -7.078 2.668 128 3HG2 VAL 15 3HG2 VAL 15 -7.481 -5.932 3.119 129 H GLY 16 H GLY 16 -4.158 -4.648 3.576 130 1HA GLY 16 1HA GLY 16 -1.782 -6.247 3.701 131 2HA GLY 16 2HA GLY 16 -2.628 -6.409 2.166 132 H SER 17 H SER 17 -0.059 -5.357 2.266 133 HA SER 17 HA SER 17 -0.561 -2.746 1.148 134 1HB SER 17 1HB SER 17 1.326 -1.766 2.607 135 2HB SER 17 2HB SER 17 -0.273 -1.943 3.329 136 HG SER 17 HG SER 17 0.442 -3.500 4.601 137 H LEU 18 H LEU 18 0.893 -2.134 -0.336 138 HA LEU 18 HA LEU 18 3.224 -3.879 -0.765 139 1HB LEU 18 1HB LEU 18 1.297 -2.595 -2.632 140 2HB LEU 18 2HB LEU 18 2.963 -2.745 -3.148 141 HG LEU 18 HG LEU 18 1.241 -5.057 -2.260 142 1HD1 LEU 18 1HD1 LEU 18 0.409 -4.096 -4.343 143 2HD1 LEU 18 2HD1 LEU 18 1.180 -5.655 -4.638 144 3HD1 LEU 18 3HD1 LEU 18 2.031 -4.162 -5.032 145 1HD2 LEU 18 1HD2 LEU 18 3.935 -4.981 -3.612 146 2HD2 LEU 18 2HD2 LEU 18 3.022 -6.427 -3.180 147 3HD2 LEU 18 3HD2 LEU 18 3.650 -5.372 -1.913 148 H THR 19 H THR 19 5.110 -2.912 -0.362 149 HA THR 19 HA THR 19 5.190 0.006 -0.188 150 HB THR 19 HB THR 19 7.262 -2.035 0.657 151 HG1 THR 19 HG1 THR 19 5.327 -2.104 1.920 152 1HG2 THR 19 1HG2 THR 19 8.274 -0.172 1.895 153 2HG2 THR 19 2HG2 THR 19 7.079 0.930 1.214 154 3HG2 THR 19 3HG2 THR 19 8.255 0.145 0.160 155 H PHE 20 H PHE 20 5.813 1.111 -1.898 156 HA PHE 20 HA PHE 20 7.872 -0.009 -3.692 157 1HB PHE 20 1HB PHE 20 5.608 1.925 -4.185 158 2HB PHE 20 2HB PHE 20 6.968 1.801 -5.289 159 HD1 PHE 20 HD1 PHE 20 4.863 -0.729 -3.508 160 HD2 PHE 20 HD2 PHE 20 6.345 0.764 -7.204 161 HE1 PHE 20 HE1 PHE 20 3.715 -2.544 -4.705 162 HE2 PHE 20 HE2 PHE 20 5.203 -1.054 -8.402 163 HZ PHE 20 HZ PHE 20 3.883 -2.702 -7.146 164 H ASP 21 H ASP 21 9.526 1.482 -4.446 165 HA ASP 21 HA ASP 21 10.161 3.483 -2.424 166 1HB ASP 21 1HB ASP 21 12.374 3.348 -3.090 167 2HB ASP 21 2HB ASP 21 11.812 1.734 -3.499 168 H GLU 22 H GLU 22 11.528 5.414 -3.676 169 HA GLU 22 HA GLU 22 9.458 7.024 -4.729 170 1HB GLU 22 1HB GLU 22 11.331 8.663 -5.111 171 2HB GLU 22 2HB GLU 22 11.151 8.088 -3.462 172 1HG GLU 22 1HG GLU 22 12.998 6.544 -3.782 173 2HG GLU 22 2HG GLU 22 13.163 7.073 -5.457 174 H ASN 23 H ASN 23 11.749 4.909 -6.210 175 HA ASN 23 HA ASN 23 11.273 6.037 -8.859 176 1HB ASN 23 1HB ASN 23 13.030 3.759 -7.923 177 2HB ASN 23 2HB ASN 23 12.893 4.290 -9.591 178 1HD2 ASN 23 1HD2 ASN 23 14.079 5.056 -6.429 179 2HD2 ASN 23 2HD2 ASN 23 15.121 6.364 -6.911 180 H TYR 24 H TYR 24 9.569 4.253 -6.867 181 HA TYR 24 HA TYR 24 7.686 3.045 -7.105 182 1HB TYR 24 1HB TYR 24 8.136 3.464 -10.064 183 2HB TYR 24 2HB TYR 24 6.666 2.805 -9.349 184 HD1 TYR 24 HD1 TYR 24 8.554 5.807 -10.080 185 HD2 TYR 24 HD2 TYR 24 5.256 4.255 -7.891 186 HE1 TYR 24 HE1 TYR 24 7.694 8.090 -9.775 187 HE2 TYR 24 HE2 TYR 24 4.383 6.534 -7.584 188 HH TYR 24 HH TYR 24 5.361 8.891 -7.548 189 H ASN 25 H ASN 25 10.239 1.722 -6.877 190 HA ASN 25 HA ASN 25 9.734 -0.806 -8.281 191 1HB ASN 25 1HB ASN 25 12.011 0.041 -6.471 192 2HB ASN 25 2HB ASN 25 11.871 -1.547 -7.217 193 1HD2 ASN 25 1HD2 ASN 25 12.497 1.817 -7.726 194 2HD2 ASN 25 2HD2 ASN 25 13.173 1.659 -9.320 195 H LEU 26 H LEU 26 8.855 -2.540 -7.291 196 HA LEU 26 HA LEU 26 7.700 -2.444 -4.757 197 1HB LEU 26 1HB LEU 26 6.972 -4.043 -6.404 198 2HB LEU 26 2HB LEU 26 8.551 -4.802 -6.432 199 HG LEU 26 HG LEU 26 8.241 -5.649 -4.186 200 1HD1 LEU 26 1HD1 LEU 26 5.606 -4.195 -4.263 201 2HD1 LEU 26 2HD1 LEU 26 6.984 -3.826 -3.225 202 3HD1 LEU 26 3HD1 LEU 26 6.101 -5.339 -3.013 203 1HD2 LEU 26 1HD2 LEU 26 7.380 -6.990 -6.031 204 2HD2 LEU 26 2HD2 LEU 26 5.827 -6.164 -5.916 205 3HD2 LEU 26 3HD2 LEU 26 6.382 -7.185 -4.589 206 H LEU 27 H LEU 27 8.625 -2.319 -2.862 207 HA LEU 27 HA LEU 27 11.322 -3.390 -2.463 208 1HB LEU 27 1HB LEU 27 9.647 -1.607 -0.688 209 2HB LEU 27 2HB LEU 27 11.305 -2.081 -0.388 210 HG LEU 27 HG LEU 27 10.359 -0.358 -2.677 211 1HD1 LEU 27 1HD1 LEU 27 11.554 1.426 -1.495 212 2HD1 LEU 27 2HD1 LEU 27 11.894 0.315 -0.170 213 3HD1 LEU 27 3HD1 LEU 27 10.230 0.776 -0.530 214 1HD2 LEU 27 1HD2 LEU 27 12.752 -0.002 -3.097 215 2HD2 LEU 27 2HD2 LEU 27 12.292 -1.691 -3.310 216 3HD2 LEU 27 3HD2 LEU 27 13.141 -1.185 -1.848 217 H ASP 28 H ASP 28 8.150 -3.331 -0.846 218 HA ASP 28 HA ASP 28 8.739 -5.967 0.301 219 1HB ASP 28 1HB ASP 28 9.292 -4.366 2.044 220 2HB ASP 28 2HB ASP 28 7.741 -3.559 1.836 221 H THR 29 H THR 29 6.989 -7.271 0.663 222 HA THR 29 HA THR 29 4.358 -6.220 -0.147 223 HB THR 29 HB THR 29 5.420 -9.012 -0.643 224 HG1 THR 29 HG1 THR 29 5.926 -6.792 -1.967 225 1HG2 THR 29 1HG2 THR 29 3.000 -8.942 -0.361 226 2HG2 THR 29 2HG2 THR 29 3.421 -9.255 -2.047 227 3HG2 THR 29 3HG2 THR 29 2.887 -7.648 -1.553 228 H SER 30 H SER 30 2.874 -6.375 1.459 229 HA SER 30 HA SER 30 3.195 -8.515 3.439 230 1HB SER 30 1HB SER 30 4.234 -6.433 4.329 231 2HB SER 30 2HB SER 30 2.679 -5.620 4.160 232 HG SER 30 HG SER 30 2.009 -6.540 5.925 233 H GLY 31 H GLY 31 1.274 -9.080 4.572 234 1HA GLY 31 1HA GLY 31 -0.999 -9.247 4.934 235 2HA GLY 31 2HA GLY 31 -1.216 -7.770 4.004 236 H VAL 32 H VAL 32 -3.048 -8.695 3.001 237 HA VAL 32 HA VAL 32 -3.052 -11.103 1.558 238 HB VAL 32 HB VAL 32 -4.694 -8.636 0.950 239 1HG1 VAL 32 1HG1 VAL 32 -6.339 -10.250 0.090 240 2HG1 VAL 32 2HG1 VAL 32 -5.183 -11.554 0.370 241 3HG1 VAL 32 3HG1 VAL 32 -4.822 -10.293 -0.809 242 1HG2 VAL 32 1HG2 VAL 32 -4.866 -9.257 3.305 243 2HG2 VAL 32 2HG2 VAL 32 -5.286 -10.907 2.844 244 3HG2 VAL 32 3HG2 VAL 32 -6.373 -9.574 2.446 245 H ALA 33 H ALA 33 -1.597 -8.093 0.863 246 HA ALA 33 HA ALA 33 -1.603 -8.054 -1.936 247 1HB ALA 33 1HB ALA 33 0.581 -7.041 -0.114 248 2HB ALA 33 2HB ALA 33 -0.906 -6.168 -0.482 249 3HB ALA 33 3HB ALA 33 0.253 -6.519 -1.765 250 H LYS 34 H LYS 34 -0.076 -10.215 0.203 251 HA LYS 34 HA LYS 34 2.196 -10.835 -1.418 252 1HB LYS 34 1HB LYS 34 0.944 -12.307 0.905 253 2HB LYS 34 2HB LYS 34 2.475 -12.730 0.157 254 1HG LYS 34 1HG LYS 34 3.400 -10.570 0.788 255 2HG LYS 34 2HG LYS 34 1.859 -10.119 1.517 256 1HD LYS 34 1HD LYS 34 3.602 -12.426 2.384 257 2HD LYS 34 2HD LYS 34 3.502 -10.861 3.190 258 1HE LYS 34 1HE LYS 34 1.018 -11.305 3.438 259 2HE LYS 34 2HE LYS 34 1.360 -12.958 2.929 260 1HZ LYS 34 1HZ LYS 34 1.336 -12.864 5.301 261 2HZ LYS 34 2HZ LYS 34 2.432 -11.572 5.326 262 3HZ LYS 34 3HZ LYS 34 2.943 -13.106 4.810 263 H VAL 35 H VAL 35 -1.094 -12.022 -1.172 264 HA VAL 35 HA VAL 35 -0.464 -14.183 -3.045 265 HB VAL 35 HB VAL 35 -2.790 -14.937 -2.737 266 1HG1 VAL 35 1HG1 VAL 35 -2.565 -15.694 -0.422 267 2HG1 VAL 35 2HG1 VAL 35 -1.295 -14.501 -0.157 268 3HG1 VAL 35 3HG1 VAL 35 -1.038 -15.821 -1.298 269 1HG2 VAL 35 1HG2 VAL 35 -3.833 -12.770 -2.280 270 2HG2 VAL 35 2HG2 VAL 35 -2.992 -12.693 -0.731 271 3HG2 VAL 35 3HG2 VAL 35 -4.203 -13.945 -1.015 272 H ILE 36 H ILE 36 -1.898 -11.053 -2.919 273 HA ILE 36 HA ILE 36 -3.385 -11.173 -5.326 274 HB ILE 36 HB ILE 36 -2.186 -8.813 -3.865 275 1HG1 ILE 36 1HG1 ILE 36 -5.025 -9.851 -3.965 276 2HG1 ILE 36 2HG1 ILE 36 -3.898 -10.140 -2.643 277 1HG2 ILE 36 1HG2 ILE 36 -2.535 -8.193 -6.178 278 2HG2 ILE 36 2HG2 ILE 36 -3.768 -7.433 -5.171 279 3HG2 ILE 36 3HG2 ILE 36 -4.170 -8.853 -6.137 280 1HD1 ILE 36 1HD1 ILE 36 -3.821 -7.771 -2.164 281 2HD1 ILE 36 2HD1 ILE 36 -5.488 -8.352 -2.149 282 3HD1 ILE 36 3HD1 ILE 36 -4.883 -7.440 -3.532 283 H GLU 37 H GLU 37 -2.851 -10.610 -7.387 284 HA GLU 37 HA GLU 37 -0.247 -11.240 -8.244 285 1HB GLU 37 1HB GLU 37 -1.095 -10.612 -10.491 286 2HB GLU 37 2HB GLU 37 -2.141 -11.736 -9.636 287 1HG GLU 37 1HG GLU 37 -3.604 -9.863 -9.006 288 2HG GLU 37 2HG GLU 37 -2.571 -8.772 -9.929 289 H LYS 38 H LYS 38 1.423 -10.039 -8.958 290 HA LYS 38 HA LYS 38 1.441 -7.240 -8.203 291 1HB LYS 38 1HB LYS 38 3.556 -9.176 -9.090 292 2HB LYS 38 2HB LYS 38 3.874 -7.450 -9.121 293 1HG LYS 38 1HG LYS 38 4.711 -8.512 -7.081 294 2HG LYS 38 2HG LYS 38 3.480 -7.297 -6.737 295 1HD LYS 38 1HD LYS 38 1.835 -8.958 -6.333 296 2HD LYS 38 2HD LYS 38 2.874 -10.232 -6.966 297 1HE LYS 38 1HE LYS 38 4.421 -9.893 -5.100 298 2HE LYS 38 2HE LYS 38 3.380 -8.616 -4.471 299 1HZ LYS 38 1HZ LYS 38 1.701 -10.144 -3.967 300 2HZ LYS 38 2HZ LYS 38 3.130 -10.908 -3.458 301 3HZ LYS 38 3HZ LYS 38 2.391 -11.367 -4.915 302 H SER 39 H SER 39 -0.014 -6.432 -9.724 303 HA SER 39 HA SER 39 0.595 -6.551 -12.537 304 1HB SER 39 1HB SER 39 -1.311 -4.786 -12.557 305 2HB SER 39 2HB SER 39 -1.709 -6.434 -12.070 306 HG SER 39 HG SER 39 -2.337 -5.632 -10.248 307 HA PRO 40 HA PRO 40 2.999 -2.782 -12.918 308 1HB PRO 40 1HB PRO 40 1.713 -1.311 -14.822 309 2HB PRO 40 2HB PRO 40 2.679 -2.744 -15.192 310 1HG PRO 40 1HG PRO 40 -0.290 -2.490 -14.887 311 2HG PRO 40 2HG PRO 40 0.636 -3.358 -16.126 312 1HD PRO 40 1HD PRO 40 -0.481 -4.639 -14.047 313 2HD PRO 40 2HD PRO 40 1.081 -5.143 -14.724 314 H ILE 41 H ILE 41 1.451 -2.659 -10.702 315 HA ILE 41 HA ILE 41 -0.401 -0.561 -10.507 316 HB ILE 41 HB ILE 41 1.392 -1.683 -8.346 317 1HG1 ILE 41 1HG1 ILE 41 -1.399 -2.473 -9.207 318 2HG1 ILE 41 2HG1 ILE 41 0.066 -3.409 -9.484 319 1HG2 ILE 41 1HG2 ILE 41 -1.210 -0.169 -8.133 320 2HG2 ILE 41 2HG2 ILE 41 0.385 0.438 -7.692 321 3HG2 ILE 41 3HG2 ILE 41 -0.331 -0.898 -6.791 322 1HD1 ILE 41 1HD1 ILE 41 0.342 -3.704 -7.087 323 2HD1 ILE 41 2HD1 ILE 41 -1.231 -4.293 -7.630 324 3HD1 ILE 41 3HD1 ILE 41 -1.109 -2.744 -6.797 325 H ALA 42 H ALA 42 3.058 -0.571 -10.555 326 HA ALA 42 HA ALA 42 3.661 1.799 -9.213 327 1HB ALA 42 1HB ALA 42 5.726 1.818 -10.529 328 2HB ALA 42 2HB ALA 42 5.052 0.596 -11.605 329 3HB ALA 42 3HB ALA 42 5.364 0.206 -9.912 330 H GLU 43 H GLU 43 2.484 1.220 -12.450 331 HA GLU 43 HA GLU 43 2.854 3.823 -13.486 332 1HB GLU 43 1HB GLU 43 2.474 1.912 -14.935 333 2HB GLU 43 2HB GLU 43 0.894 1.642 -14.219 334 1HG GLU 43 1HG GLU 43 0.635 2.679 -16.366 335 2HG GLU 43 2HG GLU 43 0.137 3.803 -15.104 336 H ILE 44 H ILE 44 0.218 2.275 -11.718 337 HA ILE 44 HA ILE 44 -1.521 4.542 -12.054 338 HB ILE 44 HB ILE 44 -1.918 2.350 -10.028 339 1HG1 ILE 44 1HG1 ILE 44 -1.416 1.278 -12.185 340 2HG1 ILE 44 2HG1 ILE 44 -3.107 1.063 -11.751 341 1HG2 ILE 44 1HG2 ILE 44 -4.289 2.816 -10.437 342 2HG2 ILE 44 2HG2 ILE 44 -3.840 4.056 -11.610 343 3HG2 ILE 44 3HG2 ILE 44 -3.427 4.261 -9.908 344 1HD1 ILE 44 1HD1 ILE 44 -2.030 3.060 -13.728 345 2HD1 ILE 44 2HD1 ILE 44 -3.727 2.851 -13.295 346 3HD1 ILE 44 3HD1 ILE 44 -2.859 1.552 -14.112 347 H ILE 45 H ILE 45 0.792 3.413 -9.701 348 HA ILE 45 HA ILE 45 0.028 5.001 -7.505 349 HB ILE 45 HB ILE 45 2.814 4.094 -8.264 350 1HG1 ILE 45 1HG1 ILE 45 0.802 2.867 -6.362 351 2HG1 ILE 45 2HG1 ILE 45 1.207 2.238 -7.956 352 1HG2 ILE 45 1HG2 ILE 45 2.901 5.928 -6.691 353 2HG2 ILE 45 2HG2 ILE 45 3.324 4.423 -5.873 354 3HG2 ILE 45 3HG2 ILE 45 1.723 5.129 -5.649 355 1HD1 ILE 45 1HD1 ILE 45 3.513 1.869 -7.207 356 2HD1 ILE 45 2HD1 ILE 45 2.340 0.988 -6.229 357 3HD1 ILE 45 3HD1 ILE 45 3.074 2.465 -5.605 358 H ARG 46 H ARG 46 2.313 5.623 -10.158 359 HA ARG 46 HA ARG 46 3.065 8.198 -9.271 360 1HB ARG 46 1HB ARG 46 3.909 8.479 -11.605 361 2HB ARG 46 2HB ARG 46 4.513 7.051 -10.785 362 1HG ARG 46 1HG ARG 46 2.579 5.844 -11.990 363 2HG ARG 46 2HG ARG 46 2.549 7.269 -13.025 364 1HD ARG 46 1HD ARG 46 4.934 5.491 -12.533 365 2HD ARG 46 2HD ARG 46 3.919 5.477 -13.972 366 HE ARG 46 HE ARG 46 5.729 7.662 -13.172 367 1HH1 ARG 46 1HH1 ARG 46 3.771 6.037 -15.590 368 2HH1 ARG 46 2HH1 ARG 46 4.486 6.904 -16.924 369 1HH2 ARG 46 1HH2 ARG 46 6.665 8.796 -14.927 370 2HH2 ARG 46 2HH2 ARG 46 6.116 8.474 -16.545 371 H LYS 47 H LYS 47 0.587 7.073 -11.529 372 HA LYS 47 HA LYS 47 -0.384 9.566 -12.340 373 1HB LYS 47 1HB LYS 47 -1.929 7.003 -11.884 374 2HB LYS 47 2HB LYS 47 -2.541 8.403 -12.749 375 1HG LYS 47 1HG LYS 47 -0.756 8.124 -14.415 376 2HG LYS 47 2HG LYS 47 -0.201 6.695 -13.546 377 1HD LYS 47 1HD LYS 47 -2.361 5.628 -13.923 378 2HD LYS 47 2HD LYS 47 -2.926 7.064 -14.781 379 1HE LYS 47 1HE LYS 47 -0.554 5.407 -15.575 380 2HE LYS 47 2HE LYS 47 -2.160 5.245 -16.281 381 1HZ LYS 47 1HZ LYS 47 -0.364 7.610 -16.414 382 2HZ LYS 47 2HZ LYS 47 -1.971 7.613 -16.958 383 3HZ LYS 47 3HZ LYS 47 -0.827 6.604 -17.698 384 H SER 48 H SER 48 -1.293 7.545 -9.565 385 HA SER 48 HA SER 48 -3.220 9.350 -8.552 386 1HB SER 48 1HB SER 48 -1.677 7.222 -7.057 387 2HB SER 48 2HB SER 48 -3.200 7.961 -6.567 388 HG SER 48 HG SER 48 -2.735 6.295 -8.820 389 H ASN 49 H ASN 49 0.228 9.202 -8.345 390 HA ASN 49 HA ASN 49 0.548 10.762 -5.999 391 1HB ASN 49 1HB ASN 49 2.411 9.467 -6.901 392 2HB ASN 49 2HB ASN 49 2.383 10.412 -8.386 393 1HD2 ASN 49 1HD2 ASN 49 3.300 12.440 -8.418 394 2HD2 ASN 49 2HD2 ASN 49 4.225 13.075 -7.096 395 H ALA 50 H ALA 50 0.071 11.490 -9.384 396 HA ALA 50 HA ALA 50 0.336 14.340 -9.025 397 1HB ALA 50 1HB ALA 50 0.902 13.239 -11.162 398 2HB ALA 50 2HB ALA 50 -0.307 14.510 -11.352 399 3HB ALA 50 3HB ALA 50 -0.799 12.816 -11.368 400 H GLU 51 H GLU 51 -2.148 11.995 -8.717 401 HA GLU 51 HA GLU 51 -4.359 13.798 -9.065 402 1HB GLU 51 1HB GLU 51 -4.231 11.008 -7.908 403 2HB GLU 51 2HB GLU 51 -5.717 11.896 -8.209 404 1HG GLU 51 1HG GLU 51 -3.721 11.105 -10.318 405 2HG GLU 51 2HG GLU 51 -5.209 10.236 -9.951 406 H LEU 52 H LEU 52 -2.504 12.541 -6.344 407 HA LEU 52 HA LEU 52 -4.006 14.267 -4.535 408 1HB LEU 52 1HB LEU 52 -4.277 12.370 -2.928 409 2HB LEU 52 2HB LEU 52 -5.260 12.267 -4.375 410 HG LEU 52 HG LEU 52 -3.544 10.683 -5.320 411 1HD1 LEU 52 1HD1 LEU 52 -2.583 10.569 -2.466 412 2HD1 LEU 52 2HD1 LEU 52 -1.686 11.253 -3.820 413 3HD1 LEU 52 3HD1 LEU 52 -2.066 9.531 -3.796 414 1HD2 LEU 52 1HD2 LEU 52 -5.652 9.919 -4.462 415 2HD2 LEU 52 2HD2 LEU 52 -5.011 9.907 -2.819 416 3HD2 LEU 52 3HD2 LEU 52 -4.372 8.787 -4.023 417 H GLY 53 H GLY 53 -3.110 13.796 -2.183 418 1HA GLY 53 1HA GLY 53 -0.173 13.569 -2.336 419 2HA GLY 53 2HA GLY 53 -1.001 14.639 -1.213 420 H ARG 54 H ARG 54 -2.037 13.778 0.608 421 HA ARG 54 HA ARG 54 -0.873 11.247 1.477 422 1HB ARG 54 1HB ARG 54 -1.084 13.578 2.749 423 2HB ARG 54 2HB ARG 54 -2.622 12.886 3.240 424 1HG ARG 54 1HG ARG 54 -0.931 12.457 4.913 425 2HG ARG 54 2HG ARG 54 -1.440 10.942 4.164 426 1HD ARG 54 1HD ARG 54 0.534 10.799 2.878 427 2HD ARG 54 2HD ARG 54 0.965 12.473 3.218 428 HE ARG 54 HE ARG 54 0.837 10.791 5.561 429 1HH1 ARG 54 1HH1 ARG 54 2.850 11.899 2.920 430 2HH1 ARG 54 2HH1 ARG 54 4.343 11.695 3.785 431 1HH2 ARG 54 1HH2 ARG 54 2.808 10.484 6.701 432 2HH2 ARG 54 2HH2 ARG 54 4.318 10.902 5.939 433 H LEU 55 H LEU 55 -3.380 11.723 -0.321 434 HA LEU 55 HA LEU 55 -5.374 10.241 1.211 435 1HB LEU 55 1HB LEU 55 -5.486 11.518 -1.524 436 2HB LEU 55 2HB LEU 55 -6.792 10.562 -0.852 437 HG LEU 55 HG LEU 55 -7.393 12.822 -0.540 438 1HD1 LEU 55 1HD1 LEU 55 -7.849 11.411 1.378 439 2HD1 LEU 55 2HD1 LEU 55 -7.492 13.064 1.884 440 3HD1 LEU 55 3HD1 LEU 55 -6.270 11.804 2.060 441 1HD2 LEU 55 1HD2 LEU 55 -5.233 13.863 -0.906 442 2HD2 LEU 55 2HD2 LEU 55 -4.666 13.279 0.659 443 3HD2 LEU 55 3HD2 LEU 55 -5.965 14.470 0.580 444 H GLY 56 H GLY 56 -6.520 8.428 -0.011 445 1HA GLY 56 1HA GLY 56 -4.451 6.769 -1.312 446 2HA GLY 56 2HA GLY 56 -5.717 6.131 -0.278 447 H TYR 57 H TYR 57 -4.795 6.941 -3.436 448 HA TYR 57 HA TYR 57 -7.466 6.908 -4.563 449 1HB TYR 57 1HB TYR 57 -5.481 8.240 -5.473 450 2HB TYR 57 2HB TYR 57 -4.842 6.708 -6.048 451 HD1 TYR 57 HD1 TYR 57 -7.414 9.262 -6.498 452 HD2 TYR 57 HD2 TYR 57 -5.871 5.569 -7.935 453 HE1 TYR 57 HE1 TYR 57 -8.709 9.534 -8.567 454 HE2 TYR 57 HE2 TYR 57 -7.163 5.828 -10.007 455 HH TYR 57 HH TYR 57 -8.634 8.767 -10.892 456 H SER 58 H SER 58 -8.450 5.147 -5.491 457 HA SER 58 HA SER 58 -7.405 2.564 -4.948 458 1HB SER 58 1HB SER 58 -9.418 1.983 -6.560 459 2HB SER 58 2HB SER 58 -9.715 2.594 -4.933 460 HG SER 58 HG SER 58 -10.212 3.758 -7.377 461 H VAL 59 H VAL 59 -5.719 1.801 -5.997 462 HA VAL 59 HA VAL 59 -5.270 2.596 -8.775 463 HB VAL 59 HB VAL 59 -2.977 1.720 -8.457 464 1HG1 VAL 59 1HG1 VAL 59 -2.204 3.494 -7.011 465 2HG1 VAL 59 2HG1 VAL 59 -3.814 3.668 -6.314 466 3HG1 VAL 59 3HG1 VAL 59 -3.537 4.077 -8.009 467 1HG2 VAL 59 1HG2 VAL 59 -2.201 1.110 -6.224 468 2HG2 VAL 59 2HG2 VAL 59 -3.474 0.015 -6.766 469 3HG2 VAL 59 3HG2 VAL 59 -3.841 1.283 -5.597 470 H TYR 60 H TYR 60 -5.790 -0.212 -6.760 471 HA TYR 60 HA TYR 60 -6.108 -1.798 -9.206 472 1HB TYR 60 1HB TYR 60 -3.930 -2.400 -8.296 473 2HB TYR 60 2HB TYR 60 -4.635 -2.662 -6.704 474 HD1 TYR 60 HD1 TYR 60 -5.676 -4.723 -6.148 475 HD2 TYR 60 HD2 TYR 60 -4.481 -3.967 -10.158 476 HE1 TYR 60 HE1 TYR 60 -6.095 -7.079 -6.708 477 HE2 TYR 60 HE2 TYR 60 -4.896 -6.323 -10.733 478 HH TYR 60 HH TYR 60 -6.590 -8.448 -8.655 479 H GLU 61 H GLU 61 -8.303 -1.932 -9.165 480 HA GLU 61 HA GLU 61 -9.529 -2.944 -6.712 481 1HB GLU 61 1HB GLU 61 -10.743 -1.111 -7.680 482 2HB GLU 61 2HB GLU 61 -10.758 -1.886 -9.260 483 1HG GLU 61 1HG GLU 61 -12.253 -3.570 -8.515 484 2HG GLU 61 2HG GLU 61 -12.072 -3.075 -6.835 485 H ASP 62 H ASP 62 -9.717 -5.013 -6.449 486 HA ASP 62 HA ASP 62 -9.831 -6.788 -8.788 487 1HB ASP 62 1HB ASP 62 -8.018 -7.090 -7.006 488 2HB ASP 62 2HB ASP 62 -9.307 -7.553 -5.900 489 H ALA 63 H ALA 63 -11.130 -8.955 -7.729 490 HA ALA 63 HA ALA 63 -13.806 -7.911 -7.348 491 1HB ALA 63 1HB ALA 63 -12.852 -10.772 -7.514 492 2HB ALA 63 2HB ALA 63 -13.450 -9.808 -8.864 493 3HB ALA 63 3HB ALA 63 -14.531 -10.236 -7.538 494 H GLN 64 H GLN 64 -11.202 -9.023 -5.486 495 HA GLN 64 HA GLN 64 -12.908 -9.535 -3.155 496 1HB GLN 64 1HB GLN 64 -9.947 -10.019 -3.491 497 2HB GLN 64 2HB GLN 64 -10.941 -10.535 -2.137 498 1HG GLN 64 1HG GLN 64 -12.205 -12.002 -3.627 499 2HG GLN 64 2HG GLN 64 -11.189 -11.494 -4.976 500 1HE2 GLN 64 1HE2 GLN 64 -9.015 -12.112 -5.008 501 2HE2 GLN 64 2HE2 GLN 64 -8.438 -13.450 -4.076 502 H TYR 65 H TYR 65 -9.937 -7.734 -4.014 503 HA TYR 65 HA TYR 65 -10.485 -5.967 -1.726 504 1HB TYR 65 1HB TYR 65 -7.761 -6.986 -2.558 505 2HB TYR 65 2HB TYR 65 -8.102 -5.925 -1.199 506 HD1 TYR 65 HD1 TYR 65 -9.254 -6.795 0.795 507 HD2 TYR 65 HD2 TYR 65 -8.117 -9.358 -2.400 508 HE1 TYR 65 HE1 TYR 65 -9.589 -8.746 2.250 509 HE2 TYR 65 HE2 TYR 65 -8.449 -11.317 -0.952 510 HH TYR 65 HH TYR 65 -10.065 -11.138 2.033 511 H ILE 66 H ILE 66 -9.280 -3.905 -1.831 512 HA ILE 66 HA ILE 66 -8.767 -2.996 -4.582 513 HB ILE 66 HB ILE 66 -10.265 -1.443 -2.462 514 1HG1 ILE 66 1HG1 ILE 66 -11.209 -2.523 -5.125 515 2HG1 ILE 66 2HG1 ILE 66 -11.623 -3.183 -3.548 516 1HG2 ILE 66 1HG2 ILE 66 -9.478 -0.668 -5.270 517 2HG2 ILE 66 2HG2 ILE 66 -8.830 0.008 -3.775 518 3HG2 ILE 66 3HG2 ILE 66 -10.520 0.278 -4.207 519 1HD1 ILE 66 1HD1 ILE 66 -13.431 -1.828 -4.434 520 2HD1 ILE 66 2HD1 ILE 66 -12.347 -0.443 -4.558 521 3HD1 ILE 66 3HD1 ILE 66 -12.762 -1.099 -2.973 522 H GLY 67 H GLY 67 -6.836 -2.123 -4.771 523 1HA GLY 67 1HA GLY 67 -5.303 -1.454 -2.378 524 2HA GLY 67 2HA GLY 67 -4.682 -1.566 -4.020 525 H HIS 68 H HIS 68 -4.503 0.533 -1.889 526 HA HIS 68 HA HIS 68 -5.408 2.806 -3.531 527 1HB HIS 68 1HB HIS 68 -5.284 2.784 -0.503 528 2HB HIS 68 2HB HIS 68 -5.871 4.089 -1.522 529 HD1 HIS 68 HD1 HIS 68 -8.251 3.814 -2.540 530 HD2 HIS 68 HD2 HIS 68 -7.103 0.754 0.025 531 HE1 HIS 68 HE1 HIS 68 -10.357 2.534 -2.029 532 HE2 HIS 68 HE2 HIS 68 -9.673 0.871 -0.261 533 H ALA 69 H ALA 69 -3.747 4.077 -4.156 534 HA ALA 69 HA ALA 69 -1.114 3.604 -3.055 535 1HB ALA 69 1HB ALA 69 -2.068 5.503 -5.189 536 2HB ALA 69 2HB ALA 69 -1.264 3.948 -5.423 537 3HB ALA 69 3HB ALA 69 -0.381 5.300 -4.714 538 H PHE 70 H PHE 70 -0.285 4.619 -1.395 539 HA PHE 70 HA PHE 70 -1.268 7.317 -0.743 540 1HB PHE 70 1HB PHE 70 -0.310 5.076 1.020 541 2HB PHE 70 2HB PHE 70 -0.330 6.743 1.584 542 HD1 PHE 70 HD1 PHE 70 -2.384 3.886 0.569 543 HD2 PHE 70 HD2 PHE 70 -2.380 7.871 2.062 544 HE1 PHE 70 HE1 PHE 70 -4.749 3.652 1.197 545 HE2 PHE 70 HE2 PHE 70 -4.744 7.642 2.693 546 HZ PHE 70 HZ PHE 70 -5.931 5.531 2.261 547 H LYS 71 H LYS 71 0.175 8.928 -0.527 548 HA LYS 71 HA LYS 71 2.936 8.431 -1.216 549 1HB LYS 71 1HB LYS 71 1.230 10.833 -0.821 550 2HB LYS 71 2HB LYS 71 2.955 11.027 -0.523 551 1HG LYS 71 1HG LYS 71 2.689 11.653 -2.737 552 2HG LYS 71 2HG LYS 71 3.270 9.997 -2.849 553 1HD LYS 71 1HD LYS 71 0.329 10.540 -2.838 554 2HD LYS 71 2HD LYS 71 1.258 10.786 -4.316 555 1HE LYS 71 1HE LYS 71 1.990 8.487 -4.286 556 2HE LYS 71 2HE LYS 71 1.206 8.221 -2.730 557 1HZ LYS 71 1HZ LYS 71 -0.088 7.377 -4.623 558 2HZ LYS 71 2HZ LYS 71 -0.224 8.952 -5.227 559 3HZ LYS 71 3HZ LYS 71 -0.927 8.552 -3.742 560 H LYS 72 H LYS 72 4.412 7.898 0.199 561 HA LYS 72 HA LYS 72 3.882 8.395 3.058 562 1HB LYS 72 1HB LYS 72 5.559 6.203 1.810 563 2HB LYS 72 2HB LYS 72 5.202 6.393 3.519 564 1HG LYS 72 1HG LYS 72 3.074 5.949 1.444 565 2HG LYS 72 2HG LYS 72 3.886 4.635 2.293 566 1HD LYS 72 1HD LYS 72 2.351 6.866 3.628 567 2HD LYS 72 2HD LYS 72 1.710 5.255 3.300 568 1HE LYS 72 1HE LYS 72 3.587 4.323 4.666 569 2HE LYS 72 2HE LYS 72 4.015 5.976 5.103 570 1HZ LYS 72 1HZ LYS 72 1.523 4.511 5.770 571 2HZ LYS 72 2HZ LYS 72 1.683 6.189 5.966 572 3HZ LYS 72 3HZ LYS 72 2.684 5.137 6.840 573 H ALA 73 H ALA 73 6.265 8.035 4.204 574 HA ALA 73 HA ALA 73 7.639 10.422 3.594 575 1HB ALA 73 1HB ALA 73 7.569 9.413 5.840 576 2HB ALA 73 2HB ALA 73 9.209 9.788 5.310 577 3HB ALA 73 3HB ALA 73 8.629 8.123 5.270 578 H GLY 74 H GLY 74 8.262 10.362 1.457 579 1HA GLY 74 1HA GLY 74 9.875 10.185 -0.174 580 2HA GLY 74 2HA GLY 74 10.869 9.301 0.974 581 H HIS 75 H HIS 75 7.801 7.931 0.676 582 HA HIS 75 HA HIS 75 8.705 6.048 -1.382 583 1HB HIS 75 1HB HIS 75 7.972 5.344 1.450 584 2HB HIS 75 2HB HIS 75 7.754 4.183 0.148 585 HD1 HIS 75 HD1 HIS 75 9.746 3.773 2.533 586 HD2 HIS 75 HD2 HIS 75 10.749 5.192 -1.246 587 HE1 HIS 75 HE1 HIS 75 12.198 3.282 2.250 588 HE2 HIS 75 HE2 HIS 75 12.819 4.350 0.049 589 H PHE 76 H PHE 76 6.886 4.411 -1.828 590 HA PHE 76 HA PHE 76 4.272 5.758 -1.690 591 1HB PHE 76 1HB PHE 76 5.478 4.339 -4.078 592 2HB PHE 76 2HB PHE 76 3.826 4.944 -3.993 593 HD1 PHE 76 HD1 PHE 76 7.221 5.715 -4.769 594 HD2 PHE 76 HD2 PHE 76 3.490 7.437 -3.677 595 HE1 PHE 76 HE1 PHE 76 7.984 7.892 -5.623 596 HE2 PHE 76 HE2 PHE 76 4.240 9.616 -4.530 597 HZ PHE 76 HZ PHE 76 6.486 9.849 -5.507 598 H ILE 77 H ILE 77 2.860 4.459 -0.653 599 HA ILE 77 HA ILE 77 3.325 1.558 -0.872 600 HB ILE 77 HB ILE 77 2.393 3.044 1.589 601 1HG1 ILE 77 1HG1 ILE 77 4.956 1.556 0.971 602 2HG1 ILE 77 2HG1 ILE 77 4.785 3.293 1.190 603 1HG2 ILE 77 1HG2 ILE 77 2.855 0.091 1.174 604 2HG2 ILE 77 2HG2 ILE 77 1.286 0.876 1.366 605 3HG2 ILE 77 3HG2 ILE 77 2.438 0.869 2.701 606 1HD1 ILE 77 1HD1 ILE 77 4.174 2.944 3.522 607 2HD1 ILE 77 2HD1 ILE 77 5.748 2.237 3.155 608 3HD1 ILE 77 3HD1 ILE 77 4.328 1.202 3.305 609 H VAL 78 H VAL 78 1.641 0.311 -1.325 610 HA VAL 78 HA VAL 78 -0.938 1.643 -1.789 611 HB VAL 78 HB VAL 78 0.106 -0.970 -2.905 612 1HG1 VAL 78 1HG1 VAL 78 -2.403 0.562 -3.573 613 2HG1 VAL 78 2HG1 VAL 78 -2.326 -0.959 -2.682 614 3HG1 VAL 78 3HG1 VAL 78 -1.839 -0.903 -4.377 615 1HG2 VAL 78 1HG2 VAL 78 0.278 0.227 -5.025 616 2HG2 VAL 78 2HG2 VAL 78 1.295 0.973 -3.790 617 3HG2 VAL 78 3HG2 VAL 78 -0.244 1.714 -4.234 618 H TYR 79 H TYR 79 -2.330 1.377 -0.191 619 HA TYR 79 HA TYR 79 -2.187 -0.962 1.526 620 1HB TYR 79 1HB TYR 79 -3.788 1.595 1.637 621 2HB TYR 79 2HB TYR 79 -4.017 0.278 2.775 622 HD1 TYR 79 HD1 TYR 79 -2.777 0.254 4.742 623 HD2 TYR 79 HD2 TYR 79 -1.338 2.507 1.435 624 HE1 TYR 79 HE1 TYR 79 -0.965 1.141 6.142 625 HE2 TYR 79 HE2 TYR 79 0.479 3.397 2.822 626 HH TYR 79 HH TYR 79 1.302 2.095 5.838 627 H PHE 80 H PHE 80 -3.356 -2.707 1.149 628 HA PHE 80 HA PHE 80 -5.549 -2.578 -0.766 629 1HB PHE 80 1HB PHE 80 -3.930 -4.847 0.375 630 2HB PHE 80 2HB PHE 80 -5.383 -5.116 -0.574 631 HD1 PHE 80 HD1 PHE 80 -1.932 -3.890 -0.646 632 HD2 PHE 80 HD2 PHE 80 -5.408 -4.767 -2.937 633 HE1 PHE 80 HE1 PHE 80 -0.610 -3.720 -2.712 634 HE2 PHE 80 HE2 PHE 80 -4.090 -4.597 -5.009 635 HZ PHE 80 HZ PHE 80 -1.689 -4.075 -4.896 636 H THR 81 H THR 81 -7.538 -2.463 -0.101 637 HA THR 81 HA THR 81 -8.226 -3.380 2.615 638 HB THR 81 HB THR 81 -10.166 -1.840 2.429 639 HG1 THR 81 HG1 THR 81 -9.135 -1.594 -0.143 640 1HG2 THR 81 1HG2 THR 81 -7.491 -0.530 1.935 641 2HG2 THR 81 2HG2 THR 81 -8.115 -1.052 3.500 642 3HG2 THR 81 3HG2 THR 81 -8.909 0.259 2.628 643 HA PRO 82 HA PRO 82 -10.974 -6.382 0.749 644 1HB PRO 82 1HB PRO 82 -12.846 -6.642 2.682 645 2HB PRO 82 2HB PRO 82 -11.204 -7.274 2.865 646 1HG PRO 82 1HG PRO 82 -12.384 -4.733 3.926 647 2HG PRO 82 2HG PRO 82 -11.337 -5.906 4.746 648 1HD PRO 82 1HD PRO 82 -10.401 -3.585 3.697 649 2HD PRO 82 2HD PRO 82 -9.425 -5.065 3.781 650 H LYS 83 H LYS 83 -11.369 -4.090 -0.523 651 HA LYS 83 HA LYS 83 -12.801 -2.647 -1.530 652 1HB LYS 83 1HB LYS 83 -14.516 -5.055 -1.071 653 2HB LYS 83 2HB LYS 83 -15.235 -3.593 -1.732 654 1HG LYS 83 1HG LYS 83 -13.648 -3.649 -3.588 655 2HG LYS 83 2HG LYS 83 -12.931 -5.120 -2.923 656 1HD LYS 83 1HD LYS 83 -14.894 -6.370 -3.306 657 2HD LYS 83 2HD LYS 83 -15.851 -4.918 -3.598 658 1HE LYS 83 1HE LYS 83 -13.570 -5.798 -5.353 659 2HE LYS 83 2HE LYS 83 -15.251 -6.238 -5.646 660 1HZ LYS 83 1HZ LYS 83 -14.682 -4.336 -6.961 661 2HZ LYS 83 2HZ LYS 83 -14.125 -3.487 -5.609 662 3HZ LYS 83 3HZ LYS 83 -15.775 -3.848 -5.760 663 H ASN 84 H ASN 84 -12.449 -1.249 0.371 664 HA ASN 84 HA ASN 84 -14.550 -1.109 2.337 665 1HB ASN 84 1HB ASN 84 -13.302 0.625 3.357 666 2HB ASN 84 2HB ASN 84 -12.094 -0.484 2.719 667 1HD2 ASN 84 1HD2 ASN 84 -13.455 2.672 2.537 668 2HD2 ASN 84 2HD2 ASN 84 -12.330 3.330 1.402 669 H LYS 85 H LYS 85 -13.807 0.350 -0.700 670 HA LYS 85 HA LYS 85 -14.779 1.894 -2.024 671 1HB LYS 85 1HB LYS 85 -17.213 1.302 -0.329 672 2HB LYS 85 2HB LYS 85 -17.233 2.218 -1.830 673 1HG LYS 85 1HG LYS 85 -16.437 0.252 -3.042 674 2HG LYS 85 2HG LYS 85 -16.416 -0.666 -1.536 675 1HD LYS 85 1HD LYS 85 -18.829 -0.334 -1.300 676 2HD LYS 85 2HD LYS 85 -18.848 0.596 -2.800 677 1HE LYS 85 1HE LYS 85 -18.059 -1.374 -4.022 678 2HE LYS 85 2HE LYS 85 -18.056 -2.301 -2.522 679 1HZ LYS 85 1HZ LYS 85 -20.048 -2.702 -3.848 680 2HZ LYS 85 2HZ LYS 85 -20.451 -1.057 -3.768 681 3HZ LYS 85 3HZ LYS 85 -20.438 -1.994 -2.356 682 H ASN 86 H ASN 86 -16.845 2.820 0.648 683 HA ASN 86 HA ASN 86 -15.146 4.934 1.566 684 1HB ASN 86 1HB ASN 86 -15.989 5.991 -0.475 685 2HB ASN 86 2HB ASN 86 -17.647 5.647 0.010 686 1HD2 ASN 86 1HD2 ASN 86 -14.804 7.553 0.669 687 2HD2 ASN 86 2HD2 ASN 86 -15.598 8.768 1.606 688 H ARG 87 H ARG 87 -18.634 4.285 1.302 689 HA ARG 87 HA ARG 87 -20.278 4.026 2.832 690 1HB ARG 87 1HB ARG 87 -18.859 2.038 3.386 691 2HB ARG 87 2HB ARG 87 -18.114 2.980 4.665 692 1HG ARG 87 1HG ARG 87 -20.447 3.291 5.603 693 2HG ARG 87 2HG ARG 87 -20.959 2.050 4.458 694 1HD ARG 87 1HD ARG 87 -18.979 1.790 6.711 695 2HD ARG 87 2HD ARG 87 -20.532 0.975 6.542 696 HE ARG 87 HE ARG 87 -18.170 0.427 4.853 697 1HH1 ARG 87 1HH1 ARG 87 -21.114 -0.605 6.454 698 2HH1 ARG 87 2HH1 ARG 87 -20.921 -2.270 5.996 699 1HH2 ARG 87 1HH2 ARG 87 -17.908 -1.785 4.288 700 2HH2 ARG 87 2HH2 ARG 87 -19.109 -2.939 4.785 701 H GLU 88 H GLU 88 -18.072 4.492 5.506 702 HA GLU 88 HA GLU 88 -18.764 7.287 5.797 703 1HB GLU 88 1HB GLU 88 -19.647 5.169 7.746 704 2HB GLU 88 2HB GLU 88 -19.405 6.838 8.241 705 1HG GLU 88 1HG GLU 88 -21.025 7.431 6.353 706 2HG GLU 88 2HG GLU 88 -21.441 5.717 6.360 707 H GLY 89 H GLY 89 -17.596 8.283 7.607 708 1HA GLY 89 1HA GLY 89 -15.756 7.517 9.300 709 2HA GLY 89 2HA GLY 89 -14.926 7.100 7.805 710 H VAL 90 H VAL 90 -13.284 8.641 8.349 711 HA VAL 90 HA VAL 90 -13.968 11.432 8.458 712 HB VAL 90 HB VAL 90 -11.252 10.199 7.942 713 1HG1 VAL 90 1HG1 VAL 90 -10.380 12.353 8.723 714 2HG1 VAL 90 2HG1 VAL 90 -12.028 12.965 8.867 715 3HG1 VAL 90 3HG1 VAL 90 -11.381 12.539 7.281 716 1HG2 VAL 90 1HG2 VAL 90 -10.827 10.539 10.326 717 2HG2 VAL 90 2HG2 VAL 90 -12.172 9.426 10.067 718 3HG2 VAL 90 3HG2 VAL 90 -12.488 11.096 10.543 719 H VAL 91 H VAL 91 -15.200 11.734 6.578 720 HA VAL 91 HA VAL 91 -13.817 11.464 4.029 721 HB VAL 91 HB VAL 91 -16.116 10.767 3.979 722 1HG1 VAL 91 1HG1 VAL 91 -17.983 12.288 4.434 723 2HG1 VAL 91 2HG1 VAL 91 -16.841 13.524 4.960 724 3HG1 VAL 91 3HG1 VAL 91 -16.989 12.018 5.866 725 1HG2 VAL 91 1HG2 VAL 91 -15.851 13.428 2.589 726 2HG2 VAL 91 2HG2 VAL 91 -16.988 12.145 2.174 727 3HG2 VAL 91 3HG2 VAL 91 -15.253 11.884 1.982 728 HA PRO 92 HA PRO 92 -12.479 15.648 4.750 729 1HB PRO 92 1HB PRO 92 -10.448 15.632 2.995 730 2HB PRO 92 2HB PRO 92 -10.366 14.751 4.525 731 1HG PRO 92 1HG PRO 92 -10.854 13.730 1.769 732 2HG PRO 92 2HG PRO 92 -9.961 12.982 3.104 733 1HD PRO 92 1HD PRO 92 -12.576 12.375 2.356 734 2HD PRO 92 2HD PRO 92 -11.828 11.975 3.914 735 HA PRO 93 HA PRO 93 -14.521 17.610 1.228 736 1HB PRO 93 1HB PRO 93 -14.382 20.047 2.785 737 2HB PRO 93 2HB PRO 93 -15.810 19.109 2.342 738 1HG PRO 93 1HG PRO 93 -14.865 19.333 4.903 739 2HG PRO 93 2HG PRO 93 -15.820 17.960 4.316 740 1HD PRO 93 1HD PRO 93 -12.864 18.185 4.721 741 2HD PRO 93 2HD PRO 93 -13.947 16.812 5.038 742 H VAL 94 H VAL 94 -12.774 17.585 -0.182 743 HA VAL 94 HA VAL 94 -10.395 19.072 0.441 744 HB VAL 94 HB VAL 94 -10.245 16.912 -0.714 745 1HG1 VAL 94 1HG1 VAL 94 -11.569 18.326 -3.020 746 2HG1 VAL 94 2HG1 VAL 94 -12.234 16.991 -2.079 747 3HG1 VAL 94 3HG1 VAL 94 -10.818 16.734 -3.098 748 1HG2 VAL 94 1HG2 VAL 94 -8.611 17.557 -2.399 749 2HG2 VAL 94 2HG2 VAL 94 -8.441 18.536 -0.942 750 3HG2 VAL 94 3HG2 VAL 94 -9.221 19.211 -2.372 751 H GLY 95 H GLY 95 -9.879 21.048 -0.143 752 1HA GLY 95 1HA GLY 95 -11.478 22.358 -2.260 753 2HA GLY 95 2HA GLY 95 -11.064 23.183 -0.760 754 H ILE 96 H ILE 96 -8.512 22.670 -0.334 755 HA ILE 96 HA ILE 96 -7.152 24.106 -2.437 756 HB ILE 96 HB ILE 96 -6.062 22.937 0.134 757 1HG1 ILE 96 1HG1 ILE 96 -6.887 25.781 -0.499 758 2HG1 ILE 96 2HG1 ILE 96 -7.824 24.653 0.475 759 1HG2 ILE 96 1HG2 ILE 96 -4.201 24.534 -0.225 760 2HG2 ILE 96 2HG2 ILE 96 -4.867 24.899 -1.816 761 3HG2 ILE 96 3HG2 ILE 96 -4.289 23.273 -1.453 762 1HD1 ILE 96 1HD1 ILE 96 -6.602 26.210 1.869 763 2HD1 ILE 96 2HD1 ILE 96 -5.083 25.703 1.130 764 3HD1 ILE 96 3HD1 ILE 96 -6.011 24.566 2.107 765 H THR 97 H THR 97 -6.486 23.027 -4.188 766 HA THR 97 HA THR 97 -5.094 20.473 -3.836 767 HB THR 97 HB THR 97 -7.233 20.786 -5.945 768 HG1 THR 97 HG1 THR 97 -7.416 19.995 -3.259 769 1HG2 THR 97 1HG2 THR 97 -5.510 19.104 -6.391 770 2HG2 THR 97 2HG2 THR 97 -7.067 18.341 -6.061 771 3HG2 THR 97 3HG2 THR 97 -5.815 18.366 -4.819 772 H ASN 98 H ASN 98 -6.095 23.057 -6.034 773 HA ASN 98 HA ASN 98 -3.983 22.323 -7.910 774 1HB ASN 98 1HB ASN 98 -6.123 24.443 -8.182 775 2HB ASN 98 2HB ASN 98 -5.067 23.846 -9.460 776 1HD2 ASN 98 1HD2 ASN 98 -7.854 23.216 -7.513 777 2HD2 ASN 98 2HD2 ASN 98 -8.410 21.825 -8.387 Start of MODEL 14 1 H MET 1 H MET 1 -19.704 9.272 -8.193 2 HA MET 1 HA MET 1 -18.349 9.181 -6.260 3 1HB MET 1 1HB MET 1 -18.503 6.532 -7.706 4 2HB MET 1 2HB MET 1 -18.108 6.695 -6.003 5 1HG MET 1 1HG MET 1 -20.277 7.638 -5.546 6 2HG MET 1 2HG MET 1 -20.677 7.621 -7.263 7 1HE MET 1 1HE MET 1 -18.658 4.798 -5.440 8 2HE MET 1 2HE MET 1 -19.952 3.755 -4.849 9 3HE MET 1 3HE MET 1 -19.741 5.370 -4.170 10 H LYS 2 H LYS 2 -16.398 10.224 -6.276 11 HA LYS 2 HA LYS 2 -14.090 8.690 -7.278 12 1HB LYS 2 1HB LYS 2 -14.392 10.981 -8.221 13 2HB LYS 2 2HB LYS 2 -14.238 11.638 -6.598 14 1HG LYS 2 1HG LYS 2 -12.151 11.887 -7.744 15 2HG LYS 2 2HG LYS 2 -11.961 10.676 -6.476 16 1HD LYS 2 1HD LYS 2 -10.863 9.947 -8.521 17 2HD LYS 2 2HD LYS 2 -12.233 8.900 -8.148 18 1HE LYS 2 1HE LYS 2 -13.604 10.090 -9.773 19 2HE LYS 2 2HE LYS 2 -12.261 11.174 -10.129 20 1HZ LYS 2 1HZ LYS 2 -12.615 9.287 -11.723 21 2HZ LYS 2 2HZ LYS 2 -12.086 8.237 -10.497 22 3HZ LYS 2 3HZ LYS 2 -11.042 9.433 -11.103 23 H SER 3 H SER 3 -13.759 7.356 -5.531 24 HA SER 3 HA SER 3 -13.807 8.530 -2.871 25 1HB SER 3 1HB SER 3 -13.581 6.105 -2.139 26 2HB SER 3 2HB SER 3 -15.061 6.526 -2.999 27 HG SER 3 HG SER 3 -13.877 5.755 -4.939 28 H SER 4 H SER 4 -11.969 9.633 -2.596 29 HA SER 4 HA SER 4 -9.509 8.023 -2.511 30 1HB SER 4 1HB SER 4 -9.752 11.043 -2.597 31 2HB SER 4 2HB SER 4 -8.253 10.111 -2.628 32 HG SER 4 HG SER 4 -10.074 9.392 -4.557 33 H ILE 5 H ILE 5 -9.327 7.244 -0.517 34 HA ILE 5 HA ILE 5 -10.599 8.709 1.684 35 HB ILE 5 HB ILE 5 -9.807 5.794 1.532 36 1HG1 ILE 5 1HG1 ILE 5 -12.538 7.067 1.254 37 2HG1 ILE 5 2HG1 ILE 5 -11.589 6.412 -0.076 38 1HG2 ILE 5 1HG2 ILE 5 -9.882 6.597 3.820 39 2HG2 ILE 5 2HG2 ILE 5 -11.254 5.535 3.508 40 3HG2 ILE 5 3HG2 ILE 5 -11.485 7.282 3.550 41 1HD1 ILE 5 1HD1 ILE 5 -11.724 4.190 0.935 42 2HD1 ILE 5 2HD1 ILE 5 -13.319 4.864 0.607 43 3HD1 ILE 5 3HD1 ILE 5 -12.689 4.855 2.255 44 HA PRO 6 HA PRO 6 -6.626 9.705 3.377 45 1HB PRO 6 1HB PRO 6 -7.418 9.953 6.008 46 2HB PRO 6 2HB PRO 6 -7.573 11.217 4.786 47 1HG PRO 6 1HG PRO 6 -9.621 9.299 5.802 48 2HG PRO 6 2HG PRO 6 -9.798 11.011 5.375 49 1HD PRO 6 1HD PRO 6 -10.628 9.033 3.744 50 2HD PRO 6 2HD PRO 6 -9.967 10.554 3.114 51 H ILE 7 H ILE 7 -4.988 8.813 4.634 52 HA ILE 7 HA ILE 7 -4.998 6.002 4.757 53 HB ILE 7 HB ILE 7 -2.965 7.359 4.378 54 1HG1 ILE 7 1HG1 ILE 7 -1.436 5.996 5.771 55 2HG1 ILE 7 2HG1 ILE 7 -2.806 5.488 6.754 56 1HG2 ILE 7 1HG2 ILE 7 -3.311 9.137 5.950 57 2HG2 ILE 7 2HG2 ILE 7 -1.795 8.322 6.333 58 3HG2 ILE 7 3HG2 ILE 7 -3.234 8.009 7.302 59 1HD1 ILE 7 1HD1 ILE 7 -2.398 4.915 3.830 60 2HD1 ILE 7 2HD1 ILE 7 -3.795 4.421 4.790 61 3HD1 ILE 7 3HD1 ILE 7 -2.195 3.778 5.164 62 H THR 8 H THR 8 -5.834 8.410 7.104 63 HA THR 8 HA THR 8 -5.433 6.949 9.460 64 HB THR 8 HB THR 8 -5.896 9.384 9.404 65 HG1 THR 8 HG1 THR 8 -7.616 7.755 10.992 66 1HG2 THR 8 1HG2 THR 8 -8.206 10.181 9.214 67 2HG2 THR 8 2HG2 THR 8 -8.743 8.543 8.842 68 3HG2 THR 8 3HG2 THR 8 -7.677 9.395 7.726 69 H GLU 9 H GLU 9 -7.803 6.651 6.993 70 HA GLU 9 HA GLU 9 -9.468 4.884 8.626 71 1HB GLU 9 1HB GLU 9 -9.782 5.968 5.819 72 2HB GLU 9 2HB GLU 9 -10.892 4.817 6.547 73 1HG GLU 9 1HG GLU 9 -10.309 7.467 7.817 74 2HG GLU 9 2HG GLU 9 -11.539 7.280 6.568 75 H VAL 10 H VAL 10 -7.646 4.925 5.587 76 HA VAL 10 HA VAL 10 -8.196 2.255 4.893 77 HB VAL 10 HB VAL 10 -5.974 4.066 3.949 78 1HG1 VAL 10 1HG1 VAL 10 -5.431 1.735 3.510 79 2HG1 VAL 10 2HG1 VAL 10 -5.826 2.578 2.012 80 3HG1 VAL 10 3HG1 VAL 10 -7.006 1.497 2.754 81 1HG2 VAL 10 1HG2 VAL 10 -7.436 4.448 2.023 82 2HG2 VAL 10 2HG2 VAL 10 -8.210 4.947 3.528 83 3HG2 VAL 10 3HG2 VAL 10 -8.673 3.430 2.760 84 H LEU 11 H LEU 11 -5.511 3.696 6.686 85 HA LEU 11 HA LEU 11 -3.711 1.583 6.537 86 1HB LEU 11 1HB LEU 11 -2.848 3.574 7.346 87 2HB LEU 11 2HB LEU 11 -4.145 3.795 8.501 88 HG LEU 11 HG LEU 11 -3.216 1.975 9.876 89 1HD1 LEU 11 1HD1 LEU 11 -0.955 2.022 7.882 90 2HD1 LEU 11 2HD1 LEU 11 -2.104 0.705 8.126 91 3HD1 LEU 11 3HD1 LEU 11 -0.968 1.133 9.406 92 1HD2 LEU 11 1HD2 LEU 11 -1.269 3.215 10.691 93 2HD2 LEU 11 2HD2 LEU 11 -2.624 4.289 10.343 94 3HD2 LEU 11 3HD2 LEU 11 -1.272 4.183 9.216 95 HA PRO 12 HA PRO 12 -5.313 -0.331 10.649 96 1HB PRO 12 1HB PRO 12 -7.679 0.560 11.670 97 2HB PRO 12 2HB PRO 12 -6.106 1.216 12.136 98 1HG PRO 12 1HG PRO 12 -8.095 2.285 10.170 99 2HG PRO 12 2HG PRO 12 -7.152 3.157 11.395 100 1HD PRO 12 1HD PRO 12 -6.441 3.140 8.799 101 2HD PRO 12 2HD PRO 12 -5.242 3.161 10.106 102 H ARG 13 H ARG 13 -7.626 0.653 8.206 103 HA ARG 13 HA ARG 13 -9.239 -1.738 8.645 104 1HB ARG 13 1HB ARG 13 -9.643 0.643 6.830 105 2HB ARG 13 2HB ARG 13 -10.795 -0.660 7.071 106 1HG ARG 13 1HG ARG 13 -11.205 -0.041 9.298 107 2HG ARG 13 2HG ARG 13 -9.784 0.999 9.353 108 1HD ARG 13 1HD ARG 13 -11.679 2.414 9.200 109 2HD ARG 13 2HD ARG 13 -10.885 2.439 7.628 110 HE ARG 13 HE ARG 13 -12.689 0.595 7.150 111 1HH1 ARG 13 1HH1 ARG 13 -13.031 3.582 8.944 112 2HH1 ARG 13 2HH1 ARG 13 -14.727 3.745 8.614 113 1HH2 ARG 13 1HH2 ARG 13 -14.905 0.824 6.657 114 2HH2 ARG 13 2HH2 ARG 13 -15.795 2.166 7.301 115 H ALA 14 H ALA 14 -6.464 -1.436 7.245 116 HA ALA 14 HA ALA 14 -7.094 -2.619 4.654 117 1HB ALA 14 1HB ALA 14 -5.357 -0.922 4.680 118 2HB ALA 14 2HB ALA 14 -4.664 -2.484 4.242 119 3HB ALA 14 3HB ALA 14 -4.439 -1.844 5.870 120 H VAL 15 H VAL 15 -5.967 -4.573 3.973 121 HA VAL 15 HA VAL 15 -5.463 -6.450 6.195 122 HB VAL 15 HB VAL 15 -6.337 -8.256 4.694 123 1HG1 VAL 15 1HG1 VAL 15 -8.310 -6.088 5.395 124 2HG1 VAL 15 2HG1 VAL 15 -7.713 -7.334 6.489 125 3HG1 VAL 15 3HG1 VAL 15 -8.696 -7.783 5.096 126 1HG2 VAL 15 1HG2 VAL 15 -7.760 -7.626 2.809 127 2HG2 VAL 15 2HG2 VAL 15 -6.098 -7.088 2.566 128 3HG2 VAL 15 3HG2 VAL 15 -7.336 -5.931 3.054 129 H GLY 16 H GLY 16 -4.088 -4.838 3.679 130 1HA GLY 16 1HA GLY 16 -1.743 -6.482 3.740 131 2HA GLY 16 2HA GLY 16 -2.590 -6.579 2.201 132 H SER 17 H SER 17 -0.029 -5.588 2.262 133 HA SER 17 HA SER 17 -0.499 -2.899 1.314 134 1HB SER 17 1HB SER 17 1.392 -1.982 2.705 135 2HB SER 17 2HB SER 17 -0.062 -2.387 3.615 136 HG SER 17 HG SER 17 2.446 -3.649 3.572 137 H LEU 18 H LEU 18 0.943 -2.223 -0.187 138 HA LEU 18 HA LEU 18 3.227 -3.993 -0.734 139 1HB LEU 18 1HB LEU 18 1.310 -2.625 -2.556 140 2HB LEU 18 2HB LEU 18 2.973 -2.812 -3.073 141 HG LEU 18 HG LEU 18 1.194 -5.092 -2.232 142 1HD1 LEU 18 1HD1 LEU 18 1.122 -5.654 -4.616 143 2HD1 LEU 18 2HD1 LEU 18 2.004 -4.174 -4.989 144 3HD1 LEU 18 3HD1 LEU 18 0.384 -4.084 -4.299 145 1HD2 LEU 18 1HD2 LEU 18 3.884 -5.066 -3.586 146 2HD2 LEU 18 2HD2 LEU 18 2.938 -6.492 -3.161 147 3HD2 LEU 18 3HD2 LEU 18 3.598 -5.460 -1.889 148 H THR 19 H THR 19 5.066 -3.055 -0.219 149 HA THR 19 HA THR 19 5.194 -0.148 0.017 150 HB THR 19 HB THR 19 7.278 -2.200 0.793 151 HG1 THR 19 HG1 THR 19 6.403 -1.709 2.954 152 1HG2 THR 19 1HG2 THR 19 8.161 -0.393 2.205 153 2HG2 THR 19 2HG2 THR 19 6.930 0.701 1.573 154 3HG2 THR 19 3HG2 THR 19 8.174 0.058 0.500 155 H PHE 20 H PHE 20 5.763 0.922 -1.740 156 HA PHE 20 HA PHE 20 7.750 -0.237 -3.570 157 1HB PHE 20 1HB PHE 20 5.646 1.898 -3.947 158 2HB PHE 20 2HB PHE 20 6.945 1.651 -5.102 159 HD1 PHE 20 HD1 PHE 20 4.198 -0.182 -3.397 160 HD2 PHE 20 HD2 PHE 20 6.635 0.220 -6.853 161 HE1 PHE 20 HE1 PHE 20 2.836 -1.875 -4.551 162 HE2 PHE 20 HE2 PHE 20 5.287 -1.484 -8.010 163 HZ PHE 20 HZ PHE 20 3.383 -2.524 -6.854 164 H ASP 21 H ASP 21 9.461 1.043 -4.294 165 HA ASP 21 HA ASP 21 10.431 2.998 -2.403 166 1HB ASP 21 1HB ASP 21 11.967 1.346 -3.384 167 2HB ASP 21 2HB ASP 21 11.611 1.954 -4.993 168 H GLU 22 H GLU 22 11.480 5.045 -3.410 169 HA GLU 22 HA GLU 22 9.472 6.638 -4.569 170 1HB GLU 22 1HB GLU 22 11.248 8.327 -4.783 171 2HB GLU 22 2HB GLU 22 11.239 7.583 -3.193 172 1HG GLU 22 1HG GLU 22 13.082 6.099 -3.950 173 2HG GLU 22 2HG GLU 22 13.141 7.021 -5.452 174 H ASN 23 H ASN 23 11.922 4.591 -5.918 175 HA ASN 23 HA ASN 23 11.595 5.611 -8.607 176 1HB ASN 23 1HB ASN 23 13.097 3.243 -7.480 177 2HB ASN 23 2HB ASN 23 13.051 3.641 -9.191 178 1HD2 ASN 23 1HD2 ASN 23 14.271 4.523 -6.073 179 2HD2 ASN 23 2HD2 ASN 23 15.419 5.694 -6.642 180 H TYR 24 H TYR 24 9.520 4.127 -6.770 181 HA TYR 24 HA TYR 24 7.659 2.892 -7.067 182 1HB TYR 24 1HB TYR 24 8.315 3.106 -10.012 183 2HB TYR 24 2HB TYR 24 6.760 2.635 -9.328 184 HD1 TYR 24 HD1 TYR 24 8.786 5.359 -10.419 185 HD2 TYR 24 HD2 TYR 24 5.574 4.347 -7.825 186 HE1 TYR 24 HE1 TYR 24 8.125 7.726 -10.326 187 HE2 TYR 24 HE2 TYR 24 4.897 6.708 -7.730 188 HH TYR 24 HH TYR 24 6.075 8.967 -8.046 189 H ASN 25 H ASN 25 10.222 1.629 -6.679 190 HA ASN 25 HA ASN 25 9.946 -0.929 -8.065 191 1HB ASN 25 1HB ASN 25 12.053 0.081 -6.137 192 2HB ASN 25 2HB ASN 25 12.072 -1.508 -6.893 193 1HD2 ASN 25 1HD2 ASN 25 13.969 0.723 -7.043 194 2HD2 ASN 25 2HD2 ASN 25 14.133 1.082 -8.734 195 H LEU 26 H LEU 26 8.893 -2.598 -7.154 196 HA LEU 26 HA LEU 26 7.695 -2.514 -4.636 197 1HB LEU 26 1HB LEU 26 6.895 -4.020 -6.322 198 2HB LEU 26 2HB LEU 26 8.438 -4.850 -6.388 199 HG LEU 26 HG LEU 26 8.095 -5.771 -4.176 200 1HD1 LEU 26 1HD1 LEU 26 6.933 -3.934 -3.135 201 2HD1 LEU 26 2HD1 LEU 26 5.967 -5.402 -2.986 202 3HD1 LEU 26 3HD1 LEU 26 5.539 -4.180 -4.184 203 1HD2 LEU 26 1HD2 LEU 26 5.656 -6.104 -5.919 204 2HD2 LEU 26 2HD2 LEU 26 6.159 -7.198 -4.631 205 3HD2 LEU 26 3HD2 LEU 26 7.167 -7.001 -6.065 206 H LEU 27 H LEU 27 8.609 -2.455 -2.737 207 HA LEU 27 HA LEU 27 11.251 -3.645 -2.330 208 1HB LEU 27 1HB LEU 27 9.643 -1.805 -0.560 209 2HB LEU 27 2HB LEU 27 11.281 -2.348 -0.250 210 HG LEU 27 HG LEU 27 10.455 -0.635 -2.595 211 1HD1 LEU 27 1HD1 LEU 27 11.607 1.168 -1.384 212 2HD1 LEU 27 2HD1 LEU 27 11.805 0.091 0.001 213 3HD1 LEU 27 3HD1 LEU 27 10.189 0.574 -0.520 214 1HD2 LEU 27 1HD2 LEU 27 13.171 -1.456 -1.563 215 2HD2 LEU 27 2HD2 LEU 27 12.872 -0.317 -2.876 216 3HD2 LEU 27 3HD2 LEU 27 12.411 -2.008 -3.056 217 H ASP 28 H ASP 28 8.046 -3.521 -0.797 218 HA ASP 28 HA ASP 28 8.606 -6.101 0.491 219 1HB ASP 28 1HB ASP 28 9.098 -4.387 2.154 220 2HB ASP 28 2HB ASP 28 7.544 -3.619 1.861 221 H THR 29 H THR 29 6.906 -7.470 0.611 222 HA THR 29 HA THR 29 4.270 -6.437 -0.224 223 HB THR 29 HB THR 29 5.349 -9.213 -0.762 224 HG1 THR 29 HG1 THR 29 6.306 -7.291 -1.937 225 1HG2 THR 29 1HG2 THR 29 3.431 -9.349 -2.310 226 2HG2 THR 29 2HG2 THR 29 2.895 -7.761 -1.756 227 3HG2 THR 29 3HG2 THR 29 2.925 -9.123 -0.635 228 H SER 30 H SER 30 2.843 -6.557 1.420 229 HA SER 30 HA SER 30 3.195 -8.717 3.384 230 1HB SER 30 1HB SER 30 2.699 -5.792 3.947 231 2HB SER 30 2HB SER 30 2.532 -7.064 5.156 232 HG SER 30 HG SER 30 4.860 -6.130 3.846 233 H GLY 31 H GLY 31 1.354 -9.422 4.479 234 1HA GLY 31 1HA GLY 31 -0.879 -9.819 4.846 235 2HA GLY 31 2HA GLY 31 -1.213 -8.249 4.132 236 H VAL 32 H VAL 32 -2.976 -8.910 2.965 237 HA VAL 32 HA VAL 32 -3.088 -11.237 1.374 238 HB VAL 32 HB VAL 32 -4.699 -8.700 1.021 239 1HG1 VAL 32 1HG1 VAL 32 -6.384 -10.162 0.043 240 2HG1 VAL 32 2HG1 VAL 32 -5.323 -11.554 0.268 241 3HG1 VAL 32 3HG1 VAL 32 -4.866 -10.271 -0.854 242 1HG2 VAL 32 1HG2 VAL 32 -4.824 -9.481 3.321 243 2HG2 VAL 32 2HG2 VAL 32 -5.235 -11.103 2.765 244 3HG2 VAL 32 3HG2 VAL 32 -6.352 -9.767 2.487 245 H ALA 33 H ALA 33 -1.515 -8.265 0.858 246 HA ALA 33 HA ALA 33 -1.693 -8.000 -1.932 247 1HB ALA 33 1HB ALA 33 -0.847 -6.250 -0.400 248 2HB ALA 33 2HB ALA 33 0.233 -6.557 -1.760 249 3HB ALA 33 3HB ALA 33 0.619 -7.203 -0.166 250 H LYS 34 H LYS 34 -0.146 -10.354 -0.034 251 HA LYS 34 HA LYS 34 1.966 -10.982 -1.870 252 1HB LYS 34 1HB LYS 34 0.859 -12.524 0.480 253 2HB LYS 34 2HB LYS 34 2.320 -12.933 -0.404 254 1HG LYS 34 1HG LYS 34 3.305 -10.786 0.235 255 2HG LYS 34 2HG LYS 34 1.850 -10.408 1.154 256 1HD LYS 34 1HD LYS 34 3.656 -12.766 1.667 257 2HD LYS 34 2HD LYS 34 3.700 -11.247 2.561 258 1HE LYS 34 1HE LYS 34 1.272 -11.651 3.119 259 2HE LYS 34 2HE LYS 34 1.480 -13.273 2.458 260 1HZ LYS 34 1HZ LYS 34 1.789 -13.351 4.812 261 2HZ LYS 34 2HZ LYS 34 2.924 -12.094 4.767 262 3HZ LYS 34 3HZ LYS 34 3.298 -13.598 4.081 263 H VAL 35 H VAL 35 -1.374 -11.855 -1.592 264 HA VAL 35 HA VAL 35 -0.949 -14.058 -3.500 265 HB VAL 35 HB VAL 35 -3.223 -14.800 -3.028 266 1HG1 VAL 35 1HG1 VAL 35 -1.620 -14.331 -0.519 267 2HG1 VAL 35 2HG1 VAL 35 -1.428 -15.671 -1.648 268 3HG1 VAL 35 3HG1 VAL 35 -2.911 -15.518 -0.707 269 1HG2 VAL 35 1HG2 VAL 35 -3.345 -12.505 -1.072 270 2HG2 VAL 35 2HG2 VAL 35 -4.551 -13.780 -1.236 271 3HG2 VAL 35 3HG2 VAL 35 -4.273 -12.655 -2.564 272 H ILE 36 H ILE 36 -2.043 -10.862 -3.244 273 HA ILE 36 HA ILE 36 -3.718 -10.847 -5.576 274 HB ILE 36 HB ILE 36 -2.498 -8.662 -3.886 275 1HG1 ILE 36 1HG1 ILE 36 -5.389 -9.435 -4.286 276 2HG1 ILE 36 2HG1 ILE 36 -4.386 -10.091 -2.997 277 1HG2 ILE 36 1HG2 ILE 36 -4.350 -8.338 -6.242 278 2HG2 ILE 36 2HG2 ILE 36 -2.675 -7.796 -6.147 279 3HG2 ILE 36 3HG2 ILE 36 -3.899 -7.063 -5.112 280 1HD1 ILE 36 1HD1 ILE 36 -4.066 -7.843 -2.109 281 2HD1 ILE 36 2HD1 ILE 36 -5.774 -8.275 -2.198 282 3HD1 ILE 36 3HD1 ILE 36 -5.073 -7.192 -3.401 283 H GLU 37 H GLU 37 -3.192 -9.869 -7.604 284 HA GLU 37 HA GLU 37 -0.585 -10.504 -8.540 285 1HB GLU 37 1HB GLU 37 -1.370 -9.523 -10.686 286 2HB GLU 37 2HB GLU 37 -2.457 -10.740 -10.033 287 1HG GLU 37 1HG GLU 37 -3.969 -9.039 -9.253 288 2HG GLU 37 2HG GLU 37 -2.849 -7.771 -9.741 289 H LYS 38 H LYS 38 1.062 -9.164 -9.252 290 HA LYS 38 HA LYS 38 1.276 -6.639 -7.885 291 1HB LYS 38 1HB LYS 38 3.101 -8.340 -9.521 292 2HB LYS 38 2HB LYS 38 3.493 -6.637 -9.345 293 1HG LYS 38 1HG LYS 38 4.616 -8.129 -7.708 294 2HG LYS 38 2HG LYS 38 3.663 -6.838 -6.980 295 1HD LYS 38 1HD LYS 38 1.903 -8.353 -6.418 296 2HD LYS 38 2HD LYS 38 2.637 -9.646 -7.368 297 1HE LYS 38 1HE LYS 38 3.960 -8.373 -4.979 298 2HE LYS 38 2HE LYS 38 2.961 -9.823 -4.881 299 1HZ LYS 38 1HZ LYS 38 5.389 -10.259 -5.059 300 2HZ LYS 38 2HZ LYS 38 5.361 -9.590 -6.615 301 3HZ LYS 38 3HZ LYS 38 4.468 -10.990 -6.283 302 H SER 39 H SER 39 1.936 -7.404 -11.316 303 HA SER 39 HA SER 39 1.256 -6.417 -13.245 304 1HB SER 39 1HB SER 39 -0.972 -5.355 -11.483 305 2HB SER 39 2HB SER 39 -0.990 -5.394 -13.248 306 HG SER 39 HG SER 39 -2.035 -7.210 -12.021 307 HA PRO 40 HA PRO 40 2.699 -2.197 -13.500 308 1HB PRO 40 1HB PRO 40 0.921 -0.782 -14.979 309 2HB PRO 40 2HB PRO 40 1.986 -2.013 -15.670 310 1HG PRO 40 1HG PRO 40 -0.889 -2.241 -14.851 311 2HG PRO 40 2HG PRO 40 -0.099 -2.820 -16.331 312 1HD PRO 40 1HD PRO 40 -0.632 -4.466 -14.271 313 2HD PRO 40 2HD PRO 40 0.819 -4.659 -15.274 314 H ILE 41 H ILE 41 1.251 -2.618 -11.055 315 HA ILE 41 HA ILE 41 -0.510 -0.494 -10.468 316 HB ILE 41 HB ILE 41 1.298 -2.122 -8.682 317 1HG1 ILE 41 1HG1 ILE 41 -1.688 -2.071 -9.134 318 2HG1 ILE 41 2HG1 ILE 41 -0.571 -3.330 -9.645 319 1HG2 ILE 41 1HG2 ILE 41 0.989 0.101 -7.678 320 2HG2 ILE 41 2HG2 ILE 41 0.184 -1.165 -6.751 321 3HG2 ILE 41 3HG2 ILE 41 -0.760 -0.102 -7.793 322 1HD1 ILE 41 1HD1 ILE 41 -0.082 -3.808 -7.274 323 2HD1 ILE 41 2HD1 ILE 41 -1.776 -4.061 -7.703 324 3HD1 ILE 41 3HD1 ILE 41 -1.297 -2.614 -6.815 325 H ALA 42 H ALA 42 2.987 -0.722 -10.511 326 HA ALA 42 HA ALA 42 3.645 1.585 -9.080 327 1HB ALA 42 1HB ALA 42 5.317 -0.047 -9.698 328 2HB ALA 42 2HB ALA 42 5.771 1.534 -10.334 329 3HB ALA 42 3HB ALA 42 5.084 0.316 -11.406 330 H GLU 43 H GLU 43 2.698 1.155 -12.438 331 HA GLU 43 HA GLU 43 3.250 3.808 -13.278 332 1HB GLU 43 1HB GLU 43 2.957 1.894 -14.826 333 2HB GLU 43 2HB GLU 43 1.249 1.847 -14.407 334 1HG GLU 43 1HG GLU 43 0.981 4.122 -15.276 335 2HG GLU 43 2HG GLU 43 2.683 4.136 -15.734 336 H ILE 44 H ILE 44 0.474 2.238 -11.814 337 HA ILE 44 HA ILE 44 -1.241 4.514 -12.127 338 HB ILE 44 HB ILE 44 -1.607 2.290 -10.119 339 1HG1 ILE 44 1HG1 ILE 44 -1.223 1.280 -12.320 340 2HG1 ILE 44 2HG1 ILE 44 -2.910 1.109 -11.850 341 1HG2 ILE 44 1HG2 ILE 44 -3.074 4.234 -9.878 342 2HG2 ILE 44 2HG2 ILE 44 -3.976 2.806 -10.383 343 3HG2 ILE 44 3HG2 ILE 44 -3.581 4.060 -11.560 344 1HD1 ILE 44 1HD1 ILE 44 -1.814 3.153 -13.770 345 2HD1 ILE 44 2HD1 ILE 44 -3.508 2.967 -13.313 346 3HD1 ILE 44 3HD1 ILE 44 -2.689 1.685 -14.203 347 H ILE 45 H ILE 45 1.070 3.388 -9.778 348 HA ILE 45 HA ILE 45 0.323 5.028 -7.612 349 HB ILE 45 HB ILE 45 3.055 3.929 -8.327 350 1HG1 ILE 45 1HG1 ILE 45 0.976 2.994 -6.336 351 2HG1 ILE 45 2HG1 ILE 45 1.324 2.228 -7.883 352 1HG2 ILE 45 1HG2 ILE 45 3.643 4.377 -5.980 353 2HG2 ILE 45 2HG2 ILE 45 2.101 5.206 -5.764 354 3HG2 ILE 45 3HG2 ILE 45 3.303 5.856 -6.877 355 1HD1 ILE 45 1HD1 ILE 45 3.591 1.730 -7.118 356 2HD1 ILE 45 2HD1 ILE 45 2.369 1.027 -6.058 357 3HD1 ILE 45 3HD1 ILE 45 3.227 2.487 -5.567 358 H ARG 46 H ARG 46 2.677 5.553 -10.247 359 HA ARG 46 HA ARG 46 3.430 8.135 -9.418 360 1HB ARG 46 1HB ARG 46 4.159 8.403 -11.829 361 2HB ARG 46 2HB ARG 46 4.880 7.081 -10.927 362 1HG ARG 46 1HG ARG 46 3.536 5.484 -12.049 363 2HG ARG 46 2HG ARG 46 2.544 6.746 -12.780 364 1HD ARG 46 1HD ARG 46 5.497 6.459 -13.292 365 2HD ARG 46 2HD ARG 46 4.265 5.688 -14.291 366 HE ARG 46 HE ARG 46 3.419 8.157 -14.462 367 1HH1 ARG 46 1HH1 ARG 46 6.753 7.063 -14.473 368 2HH1 ARG 46 2HH1 ARG 46 7.301 8.375 -15.480 369 1HH2 ARG 46 1HH2 ARG 46 4.132 9.854 -15.775 370 2HH2 ARG 46 2HH2 ARG 46 5.806 9.968 -16.225 371 H LYS 47 H LYS 47 0.885 7.036 -11.631 372 HA LYS 47 HA LYS 47 0.020 9.568 -12.479 373 1HB LYS 47 1HB LYS 47 -1.627 7.067 -12.036 374 2HB LYS 47 2HB LYS 47 -2.172 8.487 -12.913 375 1HG LYS 47 1HG LYS 47 -0.299 8.122 -14.518 376 2HG LYS 47 2HG LYS 47 0.040 6.604 -13.685 377 1HD LYS 47 1HD LYS 47 -2.285 5.885 -14.150 378 2HD LYS 47 2HD LYS 47 -2.526 7.365 -15.074 379 1HE LYS 47 1HE LYS 47 -0.572 6.652 -16.498 380 2HE LYS 47 2HE LYS 47 -0.650 5.091 -15.681 381 1HZ LYS 47 1HZ LYS 47 -2.746 6.350 -17.360 382 2HZ LYS 47 2HZ LYS 47 -3.014 4.963 -16.424 383 3HZ LYS 47 3HZ LYS 47 -1.883 4.928 -17.691 384 H SER 48 H SER 48 -1.021 7.569 -9.748 385 HA SER 48 HA SER 48 -2.892 9.414 -8.720 386 1HB SER 48 1HB SER 48 -1.377 7.231 -7.274 387 2HB SER 48 2HB SER 48 -2.859 8.008 -6.724 388 HG SER 48 HG SER 48 -2.488 6.287 -8.939 389 H ASN 49 H ASN 49 0.561 9.066 -8.364 390 HA ASN 49 HA ASN 49 0.950 10.572 -6.028 391 1HB ASN 49 1HB ASN 49 2.759 9.251 -6.902 392 2HB ASN 49 2HB ASN 49 2.730 10.119 -8.431 393 1HD2 ASN 49 1HD2 ASN 49 3.875 11.974 -8.642 394 2HD2 ASN 49 2HD2 ASN 49 4.838 12.660 -7.377 395 H ALA 50 H ALA 50 0.616 11.517 -9.397 396 HA ALA 50 HA ALA 50 1.151 14.296 -8.871 397 1HB ALA 50 1HB ALA 50 0.504 14.628 -11.224 398 2HB ALA 50 2HB ALA 50 0.042 12.928 -11.317 399 3HB ALA 50 3HB ALA 50 1.724 13.370 -11.027 400 H GLU 51 H GLU 51 -1.641 12.237 -8.991 401 HA GLU 51 HA GLU 51 -3.568 14.337 -9.249 402 1HB GLU 51 1HB GLU 51 -3.882 11.468 -8.359 403 2HB GLU 51 2HB GLU 51 -5.213 12.568 -8.681 404 1HG GLU 51 1HG GLU 51 -3.176 11.598 -10.668 405 2HG GLU 51 2HG GLU 51 -4.860 11.091 -10.556 406 H LEU 52 H LEU 52 -2.748 12.167 -6.541 407 HA LEU 52 HA LEU 52 -4.309 13.887 -4.772 408 1HB LEU 52 1HB LEU 52 -4.142 11.998 -3.178 409 2HB LEU 52 2HB LEU 52 -4.910 11.577 -4.694 410 HG LEU 52 HG LEU 52 -2.594 10.689 -5.391 411 1HD1 LEU 52 1HD1 LEU 52 -1.345 11.690 -3.545 412 2HD1 LEU 52 2HD1 LEU 52 -1.172 9.935 -3.582 413 3HD1 LEU 52 3HD1 LEU 52 -2.244 10.691 -2.402 414 1HD2 LEU 52 1HD2 LEU 52 -4.283 9.346 -3.313 415 2HD2 LEU 52 2HD2 LEU 52 -3.016 8.540 -4.238 416 3HD2 LEU 52 3HD2 LEU 52 -4.415 9.221 -5.066 417 H GLY 53 H GLY 53 -3.384 13.799 -2.397 418 1HA GLY 53 1HA GLY 53 -0.488 14.348 -2.485 419 2HA GLY 53 2HA GLY 53 -1.592 15.476 -1.714 420 H ARG 54 H ARG 54 -3.266 13.268 -0.633 421 HA ARG 54 HA ARG 54 -1.468 11.939 1.227 422 1HB ARG 54 1HB ARG 54 -1.860 14.178 2.206 423 2HB ARG 54 2HB ARG 54 -3.587 13.859 2.209 424 1HG ARG 54 1HG ARG 54 -2.669 13.534 4.416 425 2HG ARG 54 2HG ARG 54 -3.220 11.990 3.762 426 1HD ARG 54 1HD ARG 54 -1.060 11.765 4.884 427 2HD ARG 54 2HD ARG 54 -0.934 11.416 3.162 428 HE ARG 54 HE ARG 54 -0.068 13.774 2.966 429 1HH1 ARG 54 1HH1 ARG 54 0.311 11.919 5.923 430 2HH1 ARG 54 2HH1 ARG 54 1.763 12.756 6.397 431 1HH2 ARG 54 1HH2 ARG 54 1.814 14.850 3.575 432 2HH2 ARG 54 2HH2 ARG 54 2.604 14.453 5.076 433 H LEU 55 H LEU 55 -4.535 12.265 -0.308 434 HA LEU 55 HA LEU 55 -5.867 10.239 1.239 435 1HB LEU 55 1HB LEU 55 -6.580 11.336 -1.482 436 2HB LEU 55 2HB LEU 55 -7.630 10.392 -0.436 437 HG LEU 55 HG LEU 55 -6.569 13.153 0.199 438 1HD1 LEU 55 1HD1 LEU 55 -8.157 13.219 -1.636 439 2HD1 LEU 55 2HD1 LEU 55 -8.878 13.887 -0.169 440 3HD1 LEU 55 3HD1 LEU 55 -9.303 12.261 -0.699 441 1HD2 LEU 55 1HD2 LEU 55 -8.594 11.431 1.626 442 2HD2 LEU 55 2HD2 LEU 55 -8.169 13.091 2.047 443 3HD2 LEU 55 3HD2 LEU 55 -6.967 11.809 2.194 444 H GLY 56 H GLY 56 -6.688 8.231 0.213 445 1HA GLY 56 1HA GLY 56 -4.557 7.028 -1.414 446 2HA GLY 56 2HA GLY 56 -5.671 6.150 -0.376 447 H TYR 57 H TYR 57 -5.169 7.598 -3.456 448 HA TYR 57 HA TYR 57 -7.771 7.200 -4.522 449 1HB TYR 57 1HB TYR 57 -6.077 8.750 -5.480 450 2HB TYR 57 2HB TYR 57 -5.105 7.364 -5.954 451 HD1 TYR 57 HD1 TYR 57 -5.367 6.474 -8.082 452 HD2 TYR 57 HD2 TYR 57 -8.488 8.851 -6.441 453 HE1 TYR 57 HE1 TYR 57 -6.524 6.432 -10.245 454 HE2 TYR 57 HE2 TYR 57 -9.661 8.813 -8.599 455 HH TYR 57 HH TYR 57 -8.668 6.763 -11.213 456 H SER 58 H SER 58 -8.651 5.434 -5.460 457 HA SER 58 HA SER 58 -7.546 2.895 -4.861 458 1HB SER 58 1HB SER 58 -9.858 3.565 -6.698 459 2HB SER 58 2HB SER 58 -9.537 2.006 -5.935 460 HG SER 58 HG SER 58 -10.915 4.045 -4.951 461 H VAL 59 H VAL 59 -5.870 2.068 -5.898 462 HA VAL 59 HA VAL 59 -5.478 2.695 -8.735 463 HB VAL 59 HB VAL 59 -3.186 1.949 -8.461 464 1HG1 VAL 59 1HG1 VAL 59 -3.757 4.259 -7.869 465 2HG1 VAL 59 2HG1 VAL 59 -2.395 3.651 -6.928 466 3HG1 VAL 59 3HG1 VAL 59 -3.994 3.760 -6.192 467 1HG2 VAL 59 1HG2 VAL 59 -2.311 1.268 -6.263 468 2HG2 VAL 59 2HG2 VAL 59 -3.509 0.134 -6.883 469 3HG2 VAL 59 3HG2 VAL 59 -3.954 1.283 -5.619 470 H TYR 60 H TYR 60 -6.179 0.096 -6.562 471 HA TYR 60 HA TYR 60 -6.396 -1.721 -8.861 472 1HB TYR 60 1HB TYR 60 -4.287 -2.218 -7.671 473 2HB TYR 60 2HB TYR 60 -5.187 -2.418 -6.172 474 HD1 TYR 60 HD1 TYR 60 -6.496 -4.426 -5.766 475 HD2 TYR 60 HD2 TYR 60 -4.387 -3.907 -9.424 476 HE1 TYR 60 HE1 TYR 60 -6.793 -6.814 -6.269 477 HE2 TYR 60 HE2 TYR 60 -4.682 -6.291 -9.939 478 HH TYR 60 HH TYR 60 -6.843 -8.287 -8.281 479 H GLU 61 H GLU 61 -8.399 -2.554 -8.953 480 HA GLU 61 HA GLU 61 -9.794 -3.012 -6.405 481 1HB GLU 61 1HB GLU 61 -10.750 -1.004 -7.434 482 2HB GLU 61 2HB GLU 61 -11.059 -1.899 -8.916 483 1HG GLU 61 1HG GLU 61 -12.630 -3.326 -7.755 484 2HG GLU 61 2HG GLU 61 -12.269 -2.522 -6.231 485 H ASP 62 H ASP 62 -10.039 -5.100 -6.186 486 HA ASP 62 HA ASP 62 -10.525 -6.746 -8.573 487 1HB ASP 62 1HB ASP 62 -8.474 -7.099 -6.970 488 2HB ASP 62 2HB ASP 62 -9.666 -7.828 -5.903 489 H ALA 63 H ALA 63 -11.617 -8.962 -7.349 490 HA ALA 63 HA ALA 63 -14.247 -7.931 -6.750 491 1HB ALA 63 1HB ALA 63 -14.950 -10.284 -6.818 492 2HB ALA 63 2HB ALA 63 -13.263 -10.774 -6.971 493 3HB ALA 63 3HB ALA 63 -14.027 -9.833 -8.251 494 H GLN 64 H GLN 64 -11.531 -8.966 -4.984 495 HA GLN 64 HA GLN 64 -13.184 -9.418 -2.597 496 1HB GLN 64 1HB GLN 64 -10.280 -10.153 -2.900 497 2HB GLN 64 2HB GLN 64 -11.380 -10.651 -1.631 498 1HG GLN 64 1HG GLN 64 -11.231 -12.537 -2.943 499 2HG GLN 64 2HG GLN 64 -12.717 -11.782 -3.512 500 1HE2 GLN 64 1HE2 GLN 64 -9.432 -10.765 -4.298 501 2HE2 GLN 64 2HE2 GLN 64 -9.545 -11.102 -5.988 502 H TYR 65 H TYR 65 -10.268 -7.694 -3.726 503 HA TYR 65 HA TYR 65 -10.496 -5.996 -1.342 504 1HB TYR 65 1HB TYR 65 -7.878 -7.080 -2.396 505 2HB TYR 65 2HB TYR 65 -8.104 -6.066 -0.975 506 HD1 TYR 65 HD1 TYR 65 -8.251 -9.445 -2.297 507 HD2 TYR 65 HD2 TYR 65 -9.189 -6.989 1.041 508 HE1 TYR 65 HE1 TYR 65 -8.547 -11.453 -0.912 509 HE2 TYR 65 HE2 TYR 65 -9.481 -8.988 2.439 510 HH TYR 65 HH TYR 65 -10.055 -11.410 2.079 511 H ILE 66 H ILE 66 -9.275 -3.974 -1.496 512 HA ILE 66 HA ILE 66 -8.896 -3.023 -4.254 513 HB ILE 66 HB ILE 66 -10.373 -1.540 -2.068 514 1HG1 ILE 66 1HG1 ILE 66 -11.312 -2.616 -4.733 515 2HG1 ILE 66 2HG1 ILE 66 -11.729 -3.258 -3.151 516 1HG2 ILE 66 1HG2 ILE 66 -8.961 -0.046 -3.400 517 2HG2 ILE 66 2HG2 ILE 66 -10.674 0.248 -3.690 518 3HG2 ILE 66 3HG2 ILE 66 -9.720 -0.646 -4.876 519 1HD1 ILE 66 1HD1 ILE 66 -12.468 -0.537 -4.195 520 2HD1 ILE 66 2HD1 ILE 66 -12.886 -1.184 -2.607 521 3HD1 ILE 66 3HD1 ILE 66 -13.542 -1.931 -4.065 522 H GLY 67 H GLY 67 -7.052 -1.977 -4.529 523 1HA GLY 67 1HA GLY 67 -5.428 -1.346 -2.162 524 2HA GLY 67 2HA GLY 67 -4.822 -1.589 -3.795 525 H HIS 68 H HIS 68 -4.664 0.643 -1.745 526 HA HIS 68 HA HIS 68 -5.445 2.839 -3.552 527 1HB HIS 68 1HB HIS 68 -5.410 3.024 -0.527 528 2HB HIS 68 2HB HIS 68 -6.009 4.227 -1.661 529 HD1 HIS 68 HD1 HIS 68 -8.402 3.873 -2.612 530 HD2 HIS 68 HD2 HIS 68 -7.161 0.915 0.038 531 HE1 HIS 68 HE1 HIS 68 -10.470 2.552 -2.052 532 HE2 HIS 68 HE2 HIS 68 -9.725 0.882 -0.318 533 H ALA 69 H ALA 69 -3.795 4.225 -4.046 534 HA ALA 69 HA ALA 69 -1.173 3.573 -2.965 535 1HB ALA 69 1HB ALA 69 -1.993 5.506 -5.130 536 2HB ALA 69 2HB ALA 69 -1.327 3.886 -5.353 537 3HB ALA 69 3HB ALA 69 -0.328 5.165 -4.657 538 H PHE 70 H PHE 70 -0.262 4.599 -1.344 539 HA PHE 70 HA PHE 70 -1.123 7.353 -0.757 540 1HB PHE 70 1HB PHE 70 -0.233 5.146 1.097 541 2HB PHE 70 2HB PHE 70 -0.322 6.832 1.597 542 HD1 PHE 70 HD1 PHE 70 -2.257 3.894 0.577 543 HD2 PHE 70 HD2 PHE 70 -2.414 7.904 1.980 544 HE1 PHE 70 HE1 PHE 70 -4.639 3.613 1.100 545 HE2 PHE 70 HE2 PHE 70 -4.797 7.628 2.508 546 HZ PHE 70 HZ PHE 70 -5.913 5.481 2.070 547 H LYS 71 H LYS 71 0.389 8.893 -0.534 548 HA LYS 71 HA LYS 71 3.122 8.268 -1.231 549 1HB LYS 71 1HB LYS 71 1.557 10.774 -0.817 550 2HB LYS 71 2HB LYS 71 3.297 10.853 -0.599 551 1HG LYS 71 1HG LYS 71 2.899 11.503 -2.816 552 2HG LYS 71 2HG LYS 71 3.509 9.856 -2.911 553 1HD LYS 71 1HD LYS 71 0.563 10.307 -2.810 554 2HD LYS 71 2HD LYS 71 1.425 10.615 -4.316 555 1HE LYS 71 1HE LYS 71 2.260 8.343 -4.338 556 2HE LYS 71 2HE LYS 71 1.502 8.022 -2.778 557 1HZ LYS 71 1HZ LYS 71 -0.652 8.321 -3.768 558 2HZ LYS 71 2HZ LYS 71 0.209 7.177 -4.670 559 3HZ LYS 71 3HZ LYS 71 0.037 8.756 -5.252 560 H LYS 72 H LYS 72 4.758 8.015 0.135 561 HA LYS 72 HA LYS 72 4.278 8.582 2.988 562 1HB LYS 72 1HB LYS 72 6.114 6.452 1.882 563 2HB LYS 72 2HB LYS 72 5.611 6.667 3.553 564 1HG LYS 72 1HG LYS 72 3.757 5.921 1.302 565 2HG LYS 72 2HG LYS 72 4.520 4.767 2.393 566 1HD LYS 72 1HD LYS 72 2.703 7.009 3.279 567 2HD LYS 72 2HD LYS 72 2.178 5.347 3.006 568 1HE LYS 72 1HE LYS 72 3.879 4.628 4.698 569 2HE LYS 72 2HE LYS 72 4.159 6.332 5.051 570 1HZ LYS 72 1HZ LYS 72 1.774 6.514 5.610 571 2HZ LYS 72 2HZ LYS 72 2.622 5.454 6.628 572 3HZ LYS 72 3HZ LYS 72 1.623 4.834 5.406 573 H ALA 73 H ALA 73 6.637 8.584 4.098 574 HA ALA 73 HA ALA 73 7.941 10.875 3.068 575 1HB ALA 73 1HB ALA 73 7.913 10.309 5.452 576 2HB ALA 73 2HB ALA 73 9.552 10.553 4.850 577 3HB ALA 73 3HB ALA 73 8.951 8.920 5.128 578 H GLY 74 H GLY 74 8.701 10.584 1.009 579 1HA GLY 74 1HA GLY 74 10.301 10.076 -0.566 580 2HA GLY 74 2HA GLY 74 11.256 9.358 0.721 581 H HIS 75 H HIS 75 8.068 8.150 0.378 582 HA HIS 75 HA HIS 75 8.940 5.929 -1.292 583 1HB HIS 75 1HB HIS 75 8.182 5.685 1.606 584 2HB HIS 75 2HB HIS 75 7.950 4.337 0.494 585 HD1 HIS 75 HD1 HIS 75 10.234 5.247 2.939 586 HD2 HIS 75 HD2 HIS 75 10.690 4.155 -1.049 587 HE1 HIS 75 HE1 HIS 75 12.588 4.391 2.732 588 HE2 HIS 75 HE2 HIS 75 12.769 3.538 0.368 589 H PHE 76 H PHE 76 7.059 4.320 -1.526 590 HA PHE 76 HA PHE 76 4.478 5.728 -1.558 591 1HB PHE 76 1HB PHE 76 5.725 4.195 -3.855 592 2HB PHE 76 2HB PHE 76 4.071 4.806 -3.835 593 HD1 PHE 76 HD1 PHE 76 7.466 5.515 -4.630 594 HD2 PHE 76 HD2 PHE 76 3.759 7.330 -3.599 595 HE1 PHE 76 HE1 PHE 76 8.253 7.647 -5.568 596 HE2 PHE 76 HE2 PHE 76 4.540 9.463 -4.537 597 HZ PHE 76 HZ PHE 76 6.787 9.625 -5.525 598 H ILE 77 H ILE 77 2.960 4.463 -0.586 599 HA ILE 77 HA ILE 77 3.402 1.557 -0.723 600 HB ILE 77 HB ILE 77 2.428 3.085 1.696 601 1HG1 ILE 77 1HG1 ILE 77 4.976 1.531 1.187 602 2HG1 ILE 77 2HG1 ILE 77 4.841 3.276 1.363 603 1HG2 ILE 77 1HG2 ILE 77 2.793 0.119 1.267 604 2HG2 ILE 77 2HG2 ILE 77 1.269 0.971 1.522 605 3HG2 ILE 77 3HG2 ILE 77 2.459 0.884 2.821 606 1HD1 ILE 77 1HD1 ILE 77 5.710 2.240 3.383 607 2HD1 ILE 77 2HD1 ILE 77 4.259 1.243 3.506 608 3HD1 ILE 77 3HD1 ILE 77 4.143 2.994 3.681 609 H VAL 78 H VAL 78 1.730 0.357 -1.284 610 HA VAL 78 HA VAL 78 -0.863 1.690 -1.670 611 HB VAL 78 HB VAL 78 0.143 -0.896 -2.876 612 1HG1 VAL 78 1HG1 VAL 78 -2.337 0.716 -3.470 613 2HG1 VAL 78 2HG1 VAL 78 -2.282 -0.848 -2.656 614 3HG1 VAL 78 3HG1 VAL 78 -1.805 -0.717 -4.349 615 1HG2 VAL 78 1HG2 VAL 78 1.387 1.015 -3.724 616 2HG2 VAL 78 2HG2 VAL 78 -0.123 1.843 -4.110 617 3HG2 VAL 78 3HG2 VAL 78 0.318 0.367 -4.970 618 H TYR 79 H TYR 79 -2.220 1.355 -0.046 619 HA TYR 79 HA TYR 79 -1.996 -1.036 1.591 620 1HB TYR 79 1HB TYR 79 -3.694 1.452 1.854 621 2HB TYR 79 2HB TYR 79 -3.715 0.116 2.992 622 HD1 TYR 79 HD1 TYR 79 -1.390 2.586 1.455 623 HD2 TYR 79 HD2 TYR 79 -2.272 0.147 4.825 624 HE1 TYR 79 HE1 TYR 79 0.457 3.627 2.679 625 HE2 TYR 79 HE2 TYR 79 -0.419 1.189 6.063 626 HH TYR 79 HH TYR 79 1.659 2.397 5.631 627 H PHE 80 H PHE 80 -3.234 -2.751 1.305 628 HA PHE 80 HA PHE 80 -5.478 -2.571 -0.555 629 1HB PHE 80 1HB PHE 80 -3.841 -4.882 0.480 630 2HB PHE 80 2HB PHE 80 -5.329 -5.113 -0.423 631 HD1 PHE 80 HD1 PHE 80 -5.437 -4.715 -2.774 632 HD2 PHE 80 HD2 PHE 80 -1.870 -3.920 -0.596 633 HE1 PHE 80 HE1 PHE 80 -4.199 -4.504 -4.890 634 HE2 PHE 80 HE2 PHE 80 -0.625 -3.707 -2.708 635 HZ PHE 80 HZ PHE 80 -1.790 -4.000 -4.859 636 H THR 81 H THR 81 -7.408 -2.360 0.244 637 HA THR 81 HA THR 81 -7.990 -3.336 2.955 638 HB THR 81 HB THR 81 -9.987 -1.828 2.799 639 HG1 THR 81 HG1 THR 81 -9.073 -1.625 0.233 640 1HG2 THR 81 1HG2 THR 81 -7.958 -1.072 3.921 641 2HG2 THR 81 2HG2 THR 81 -8.726 0.266 3.067 642 3HG2 THR 81 3HG2 THR 81 -7.299 -0.517 2.383 643 HA PRO 82 HA PRO 82 -10.813 -6.365 1.297 644 1HB PRO 82 1HB PRO 82 -12.711 -6.459 3.235 645 2HB PRO 82 2HB PRO 82 -11.097 -7.145 3.449 646 1HG PRO 82 1HG PRO 82 -12.187 -4.523 4.398 647 2HG PRO 82 2HG PRO 82 -11.155 -5.682 5.254 648 1HD PRO 82 1HD PRO 82 -10.189 -3.427 4.088 649 2HD PRO 82 2HD PRO 82 -9.238 -4.919 4.239 650 H LYS 83 H LYS 83 -11.171 -4.402 -0.230 651 HA LYS 83 HA LYS 83 -12.538 -3.196 -1.548 652 1HB LYS 83 1HB LYS 83 -14.066 -5.493 -0.740 653 2HB LYS 83 2HB LYS 83 -15.131 -4.105 -0.948 654 1HG LYS 83 1HG LYS 83 -14.239 -3.744 -3.189 655 2HG LYS 83 2HG LYS 83 -13.157 -5.122 -2.979 656 1HD LYS 83 1HD LYS 83 -15.004 -6.641 -2.877 657 2HD LYS 83 2HD LYS 83 -16.162 -5.307 -2.832 658 1HE LYS 83 1HE LYS 83 -14.258 -5.729 -5.122 659 2HE LYS 83 2HE LYS 83 -15.854 -6.476 -5.070 660 1HZ LYS 83 1HZ LYS 83 -15.690 -4.316 -6.301 661 2HZ LYS 83 2HZ LYS 83 -15.449 -3.552 -4.804 662 3HZ LYS 83 3HZ LYS 83 -16.894 -4.381 -5.107 663 H ASN 84 H ASN 84 -11.912 -2.118 1.013 664 HA ASN 84 HA ASN 84 -14.202 -0.703 1.977 665 1HB ASN 84 1HB ASN 84 -12.118 -1.044 3.329 666 2HB ASN 84 2HB ASN 84 -11.280 0.062 2.246 667 1HD2 ASN 84 1HD2 ASN 84 -11.793 2.264 2.307 668 2HD2 ASN 84 2HD2 ASN 84 -12.635 2.965 3.643 669 H LYS 85 H LYS 85 -15.278 0.410 0.509 670 HA LYS 85 HA LYS 85 -13.849 2.322 -1.215 671 1HB LYS 85 1HB LYS 85 -14.400 0.173 -2.402 672 2HB LYS 85 2HB LYS 85 -16.095 0.464 -2.057 673 1HG LYS 85 1HG LYS 85 -15.820 1.131 -4.265 674 2HG LYS 85 2HG LYS 85 -15.803 2.640 -3.355 675 1HD LYS 85 1HD LYS 85 -13.402 2.750 -3.488 676 2HD LYS 85 2HD LYS 85 -13.335 1.155 -4.243 677 1HE LYS 85 1HE LYS 85 -14.599 3.633 -5.407 678 2HE LYS 85 2HE LYS 85 -13.079 2.901 -5.917 679 1HZ LYS 85 1HZ LYS 85 -14.250 0.959 -6.658 680 2HZ LYS 85 2HZ LYS 85 -14.974 2.324 -7.360 681 3HZ LYS 85 3HZ LYS 85 -15.724 1.552 -6.055 682 H ASN 86 H ASN 86 -15.639 3.773 -2.298 683 HA ASN 86 HA ASN 86 -17.459 5.143 -2.205 684 1HB ASN 86 1HB ASN 86 -18.528 2.795 -1.652 685 2HB ASN 86 2HB ASN 86 -18.696 3.470 -0.039 686 1HD2 ASN 86 1HD2 ASN 86 -20.717 2.650 -1.956 687 2HD2 ASN 86 2HD2 ASN 86 -21.710 4.047 -2.240 688 H ARG 87 H ARG 87 -19.016 6.010 -0.089 689 HA ARG 87 HA ARG 87 -17.018 7.091 1.782 690 1HB ARG 87 1HB ARG 87 -19.643 8.268 0.852 691 2HB ARG 87 2HB ARG 87 -18.595 8.986 2.066 692 1HG ARG 87 1HG ARG 87 -16.837 9.266 0.413 693 2HG ARG 87 2HG ARG 87 -17.853 8.499 -0.811 694 1HD ARG 87 1HD ARG 87 -19.489 10.279 -0.593 695 2HD ARG 87 2HD ARG 87 -18.530 11.027 0.681 696 HE ARG 87 HE ARG 87 -16.891 10.812 -1.549 697 1HH1 ARG 87 1HH1 ARG 87 -19.841 12.471 -0.625 698 2HH1 ARG 87 2HH1 ARG 87 -19.579 13.804 -1.720 699 1HH2 ARG 87 1HH2 ARG 87 -16.521 12.578 -2.939 700 2HH2 ARG 87 2HH2 ARG 87 -17.685 13.870 -3.021 701 H GLU 88 H GLU 88 -17.127 5.972 3.614 702 HA GLU 88 HA GLU 88 -19.786 5.355 4.711 703 1HB GLU 88 1HB GLU 88 -18.615 3.332 3.890 704 2HB GLU 88 2HB GLU 88 -17.281 3.681 4.982 705 1HG GLU 88 1HG GLU 88 -18.746 3.392 6.896 706 2HG GLU 88 2HG GLU 88 -20.115 3.100 5.820 707 H GLY 89 H GLY 89 -16.356 5.716 5.608 708 1HA GLY 89 1HA GLY 89 -17.177 6.614 8.269 709 2HA GLY 89 2HA GLY 89 -15.547 6.166 7.785 710 H VAL 90 H VAL 90 -14.198 7.806 7.757 711 HA VAL 90 HA VAL 90 -15.119 10.520 7.806 712 HB VAL 90 HB VAL 90 -12.294 9.478 7.508 713 1HG1 VAL 90 1HG1 VAL 90 -11.631 11.691 8.351 714 2HG1 VAL 90 2HG1 VAL 90 -13.318 12.202 8.302 715 3HG1 VAL 90 3HG1 VAL 90 -12.478 11.792 6.807 716 1HG2 VAL 90 1HG2 VAL 90 -13.336 8.664 9.552 717 2HG2 VAL 90 2HG2 VAL 90 -13.808 10.309 9.980 718 3HG2 VAL 90 3HG2 VAL 90 -12.101 9.870 9.918 719 H VAL 91 H VAL 91 -15.738 11.610 6.067 720 HA VAL 91 HA VAL 91 -14.642 10.906 3.457 721 HB VAL 91 HB VAL 91 -16.295 12.478 2.519 722 1HG1 VAL 91 1HG1 VAL 91 -17.479 10.487 4.449 723 2HG1 VAL 91 2HG1 VAL 91 -16.878 10.130 2.830 724 3HG1 VAL 91 3HG1 VAL 91 -18.287 11.169 3.038 725 1HG2 VAL 91 1HG2 VAL 91 -16.437 14.071 4.353 726 2HG2 VAL 91 2HG2 VAL 91 -17.175 12.845 5.384 727 3HG2 VAL 91 3HG2 VAL 91 -18.035 13.437 3.962 728 HA PRO 92 HA PRO 92 -11.629 14.115 3.665 729 1HB PRO 92 1HB PRO 92 -11.008 14.227 1.020 730 2HB PRO 92 2HB PRO 92 -10.459 12.928 2.086 731 1HG PRO 92 1HG PRO 92 -12.752 12.957 0.161 732 2HG PRO 92 2HG PRO 92 -11.564 11.675 0.467 733 1HD PRO 92 1HD PRO 92 -14.062 11.626 1.508 734 2HD PRO 92 2HD PRO 92 -12.661 10.938 2.354 735 HA PRO 93 HA PRO 93 -14.268 17.585 2.490 736 1HB PRO 93 1HB PRO 93 -12.573 19.171 4.220 737 2HB PRO 93 2HB PRO 93 -14.262 18.719 4.449 738 1HG PRO 93 1HG PRO 93 -12.228 17.772 6.003 739 2HG PRO 93 2HG PRO 93 -13.734 16.884 5.712 740 1HD PRO 93 1HD PRO 93 -11.049 16.541 4.425 741 2HD PRO 93 2HD PRO 93 -12.209 15.304 4.965 742 H VAL 94 H VAL 94 -13.770 19.763 1.594 743 HA VAL 94 HA VAL 94 -11.421 19.646 -0.081 744 HB VAL 94 HB VAL 94 -13.456 20.395 -1.123 745 1HG1 VAL 94 1HG1 VAL 94 -14.613 21.309 0.805 746 2HG1 VAL 94 2HG1 VAL 94 -14.583 22.473 -0.520 747 3HG1 VAL 94 3HG1 VAL 94 -13.491 22.669 0.851 748 1HG2 VAL 94 1HG2 VAL 94 -11.385 21.350 -1.968 749 2HG2 VAL 94 2HG2 VAL 94 -11.531 22.695 -0.836 750 3HG2 VAL 94 3HG2 VAL 94 -12.718 22.495 -2.125 751 H GLY 95 H GLY 95 -9.967 19.672 1.727 752 1HA GLY 95 1HA GLY 95 -9.062 22.374 2.281 753 2HA GLY 95 2HA GLY 95 -9.540 21.434 3.690 754 H ILE 96 H ILE 96 -7.222 21.806 1.134 755 HA ILE 96 HA ILE 96 -5.556 19.728 2.385 756 HB ILE 96 HB ILE 96 -4.274 19.761 0.196 757 1HG1 ILE 96 1HG1 ILE 96 -6.775 21.175 -0.768 758 2HG1 ILE 96 2HG1 ILE 96 -5.176 21.903 -0.652 759 1HG2 ILE 96 1HG2 ILE 96 -5.852 18.255 -0.906 760 2HG2 ILE 96 2HG2 ILE 96 -7.145 18.838 0.143 761 3HG2 ILE 96 3HG2 ILE 96 -5.781 17.955 0.831 762 1HD1 ILE 96 1HD1 ILE 96 -4.343 20.331 -2.323 763 2HD1 ILE 96 2HD1 ILE 96 -5.699 21.278 -2.937 764 3HD1 ILE 96 3HD1 ILE 96 -5.947 19.604 -2.436 765 H THR 97 H THR 97 -4.210 20.648 3.770 766 HA THR 97 HA THR 97 -3.171 23.298 3.378 767 HB THR 97 HB THR 97 -2.398 21.228 5.446 768 HG1 THR 97 HG1 THR 97 -4.606 22.848 5.157 769 1HG2 THR 97 1HG2 THR 97 -1.991 24.220 5.376 770 2HG2 THR 97 2HG2 THR 97 -0.730 22.997 5.213 771 3HG2 THR 97 3HG2 THR 97 -1.606 23.166 6.735 772 H ASN 98 H ASN 98 -1.302 23.854 2.449 773 HA ASN 98 HA ASN 98 0.309 21.826 1.191 774 1HB ASN 98 1HB ASN 98 -0.192 23.942 0.036 775 2HB ASN 98 2HB ASN 98 0.674 24.831 1.285 776 1HD2 ASN 98 1HD2 ASN 98 2.903 24.785 1.325 777 2HD2 ASN 98 2HD2 ASN 98 3.848 24.171 0.009 Start of MODEL 15 1 H MET 1 H MET 1 -17.408 12.501 -5.374 2 HA MET 1 HA MET 1 -17.934 9.595 -5.207 3 1HB MET 1 1HB MET 1 -18.788 10.767 -7.303 4 2HB MET 1 2HB MET 1 -17.115 11.174 -7.649 5 1HG MET 1 1HG MET 1 -17.758 9.237 -8.913 6 2HG MET 1 2HG MET 1 -16.562 8.780 -7.699 7 1HE MET 1 1HE MET 1 -18.368 6.691 -9.280 8 2HE MET 1 2HE MET 1 -18.846 5.599 -7.981 9 3HE MET 1 3HE MET 1 -17.193 6.207 -8.057 10 H LYS 2 H LYS 2 -16.108 11.207 -3.656 11 HA LYS 2 HA LYS 2 -13.517 10.997 -4.917 12 1HB LYS 2 1HB LYS 2 -14.038 12.893 -3.446 13 2HB LYS 2 2HB LYS 2 -14.279 11.792 -2.099 14 1HG LYS 2 1HG LYS 2 -12.113 12.900 -1.990 15 2HG LYS 2 2HG LYS 2 -11.937 11.155 -2.181 16 1HD LYS 2 1HD LYS 2 -10.363 12.322 -3.614 17 2HD LYS 2 2HD LYS 2 -11.561 11.466 -4.583 18 1HE LYS 2 1HE LYS 2 -12.788 13.545 -4.923 19 2HE LYS 2 2HE LYS 2 -11.615 14.410 -3.928 20 1HZ LYS 2 1HZ LYS 2 -10.932 12.965 -6.432 21 2HZ LYS 2 2HZ LYS 2 -9.913 13.966 -5.521 22 3HZ LYS 2 3HZ LYS 2 -11.234 14.632 -6.346 23 H SER 3 H SER 3 -12.524 9.106 -5.042 24 HA SER 3 HA SER 3 -13.050 7.056 -3.037 25 1HB SER 3 1HB SER 3 -11.694 5.631 -4.669 26 2HB SER 3 2HB SER 3 -13.249 6.229 -5.248 27 HG SER 3 HG SER 3 -11.650 6.564 -6.808 28 H SER 4 H SER 4 -10.977 9.547 -3.351 29 HA SER 4 HA SER 4 -8.584 8.202 -2.428 30 1HB SER 4 1HB SER 4 -9.145 11.167 -2.662 31 2HB SER 4 2HB SER 4 -7.566 10.405 -2.457 32 HG SER 4 HG SER 4 -8.844 9.339 -4.569 33 H ILE 5 H ILE 5 -8.666 7.466 -0.429 34 HA ILE 5 HA ILE 5 -10.125 8.991 1.628 35 HB ILE 5 HB ILE 5 -9.410 6.044 1.589 36 1HG1 ILE 5 1HG1 ILE 5 -12.086 7.368 1.092 37 2HG1 ILE 5 2HG1 ILE 5 -11.055 6.687 -0.161 38 1HG2 ILE 5 1HG2 ILE 5 -9.648 6.933 3.850 39 2HG2 ILE 5 2HG2 ILE 5 -10.974 5.839 3.456 40 3HG2 ILE 5 3HG2 ILE 5 -11.234 7.582 3.436 41 1HD1 ILE 5 1HD1 ILE 5 -12.862 5.174 0.424 42 2HD1 ILE 5 2HD1 ILE 5 -12.322 5.160 2.103 43 3HD1 ILE 5 3HD1 ILE 5 -11.298 4.476 0.840 44 HA PRO 6 HA PRO 6 -6.245 9.842 3.628 45 1HB PRO 6 1HB PRO 6 -7.131 9.950 6.237 46 2HB PRO 6 2HB PRO 6 -7.233 11.280 5.081 47 1HG PRO 6 1HG PRO 6 -9.330 9.343 5.936 48 2HG PRO 6 2HG PRO 6 -9.479 11.068 5.559 49 1HD PRO 6 1HD PRO 6 -10.250 9.129 3.842 50 2HD PRO 6 2HD PRO 6 -9.611 10.688 3.286 51 H ILE 7 H ILE 7 -4.654 8.876 4.886 52 HA ILE 7 HA ILE 7 -4.756 6.041 4.800 53 HB ILE 7 HB ILE 7 -2.681 7.314 4.392 54 1HG1 ILE 7 1HG1 ILE 7 -1.173 5.819 5.643 55 2HG1 ILE 7 2HG1 ILE 7 -2.509 5.357 6.694 56 1HG2 ILE 7 1HG2 ILE 7 -1.392 8.219 6.233 57 2HG2 ILE 7 2HG2 ILE 7 -2.674 7.789 7.366 58 3HG2 ILE 7 3HG2 ILE 7 -2.963 9.013 6.130 59 1HD1 ILE 7 1HD1 ILE 7 -3.671 4.388 4.782 60 2HD1 ILE 7 2HD1 ILE 7 -2.078 3.668 5.007 61 3HD1 ILE 7 3HD1 ILE 7 -2.334 4.858 3.731 62 H THR 8 H THR 8 -5.306 8.368 7.323 63 HA THR 8 HA THR 8 -4.963 6.698 9.555 64 HB THR 8 HB THR 8 -5.174 9.142 9.746 65 HG1 THR 8 HG1 THR 8 -7.378 8.257 11.227 66 1HG2 THR 8 1HG2 THR 8 -6.909 9.534 8.080 67 2HG2 THR 8 2HG2 THR 8 -7.385 10.209 9.638 68 3HG2 THR 8 3HG2 THR 8 -8.085 8.687 9.084 69 H GLU 9 H GLU 9 -7.363 6.755 7.121 70 HA GLU 9 HA GLU 9 -9.210 5.138 8.719 71 1HB GLU 9 1HB GLU 9 -9.518 6.448 6.010 72 2HB GLU 9 2HB GLU 9 -10.748 5.448 6.770 73 1HG GLU 9 1HG GLU 9 -9.637 7.974 7.972 74 2HG GLU 9 2HG GLU 9 -11.119 7.888 7.019 75 H VAL 10 H VAL 10 -7.413 5.110 5.662 76 HA VAL 10 HA VAL 10 -8.342 2.549 4.866 77 HB VAL 10 HB VAL 10 -5.969 4.140 3.891 78 1HG1 VAL 10 1HG1 VAL 10 -5.667 1.776 3.376 79 2HG1 VAL 10 2HG1 VAL 10 -6.025 2.694 1.914 80 3HG1 VAL 10 3HG1 VAL 10 -7.281 1.713 2.668 81 1HG2 VAL 10 1HG2 VAL 10 -7.463 4.650 1.989 82 2HG2 VAL 10 2HG2 VAL 10 -8.066 5.277 3.524 83 3HG2 VAL 10 3HG2 VAL 10 -8.772 3.818 2.829 84 H LEU 11 H LEU 11 -5.425 3.630 6.572 85 HA LEU 11 HA LEU 11 -3.895 1.341 6.366 86 1HB LEU 11 1HB LEU 11 -2.812 3.159 7.287 87 2HB LEU 11 2HB LEU 11 -4.106 3.496 8.417 88 HG LEU 11 HG LEU 11 -3.454 1.522 9.738 89 1HD1 LEU 11 1HD1 LEU 11 -1.169 1.348 7.785 90 2HD1 LEU 11 2HD1 LEU 11 -2.456 0.164 8.016 91 3HD1 LEU 11 3HD1 LEU 11 -1.283 0.457 9.302 92 1HD2 LEU 11 1HD2 LEU 11 -1.267 3.531 9.229 93 2HD2 LEU 11 2HD2 LEU 11 -1.375 2.475 10.639 94 3HD2 LEU 11 3HD2 LEU 11 -2.616 3.697 10.355 95 HA PRO 12 HA PRO 12 -5.792 -0.556 10.376 96 1HB PRO 12 1HB PRO 12 -8.164 0.490 11.254 97 2HB PRO 12 2HB PRO 12 -6.581 0.961 11.882 98 1HG PRO 12 1HG PRO 12 -8.296 2.329 9.849 99 2HG PRO 12 2HG PRO 12 -7.353 3.030 11.176 100 1HD PRO 12 1HD PRO 12 -6.478 3.071 8.635 101 2HD PRO 12 2HD PRO 12 -5.368 2.895 10.007 102 H ARG 13 H ARG 13 -7.992 0.738 7.923 103 HA ARG 13 HA ARG 13 -9.692 -1.601 8.065 104 1HB ARG 13 1HB ARG 13 -9.692 0.836 6.296 105 2HB ARG 13 2HB ARG 13 -10.842 -0.478 6.125 106 1HG ARG 13 1HG ARG 13 -11.729 -0.070 8.314 107 2HG ARG 13 2HG ARG 13 -10.475 1.129 8.641 108 1HD ARG 13 1HD ARG 13 -11.350 2.545 6.862 109 2HD ARG 13 2HD ARG 13 -12.576 1.337 6.488 110 HE ARG 13 HE ARG 13 -13.798 2.022 8.316 111 1HH1 ARG 13 1HH1 ARG 13 -10.599 3.422 8.487 112 2HH1 ARG 13 2HH1 ARG 13 -11.051 4.640 9.643 113 1HH2 ARG 13 1HH2 ARG 13 -14.387 3.584 9.865 114 2HH2 ARG 13 2HH2 ARG 13 -13.199 4.716 10.447 115 H ALA 14 H ALA 14 -6.719 -1.183 6.809 116 HA ALA 14 HA ALA 14 -7.213 -2.580 4.291 117 1HB ALA 14 1HB ALA 14 -4.612 -1.546 5.423 118 2HB ALA 14 2HB ALA 14 -5.653 -0.678 4.296 119 3HB ALA 14 3HB ALA 14 -4.870 -2.177 3.796 120 H VAL 15 H VAL 15 -6.275 -4.551 3.781 121 HA VAL 15 HA VAL 15 -5.474 -6.183 6.106 122 HB VAL 15 HB VAL 15 -6.379 -8.136 4.827 123 1HG1 VAL 15 1HG1 VAL 15 -8.348 -5.941 5.463 124 2HG1 VAL 15 2HG1 VAL 15 -7.681 -7.106 6.607 125 3HG1 VAL 15 3HG1 VAL 15 -8.736 -7.654 5.305 126 1HG2 VAL 15 1HG2 VAL 15 -7.926 -7.705 2.979 127 2HG2 VAL 15 2HG2 VAL 15 -6.291 -7.170 2.590 128 3HG2 VAL 15 3HG2 VAL 15 -7.522 -5.990 3.042 129 H GLY 16 H GLY 16 -4.234 -4.686 3.519 130 1HA GLY 16 1HA GLY 16 -1.878 -6.326 3.526 131 2HA GLY 16 2HA GLY 16 -2.761 -6.406 2.005 132 H SER 17 H SER 17 -0.167 -5.404 2.120 133 HA SER 17 HA SER 17 -0.628 -2.783 1.030 134 1HB SER 17 1HB SER 17 1.099 -1.709 2.529 135 2HB SER 17 2HB SER 17 -0.427 -2.105 3.319 136 HG SER 17 HG SER 17 1.889 -2.774 4.170 137 H LEU 18 H LEU 18 0.862 -2.216 -0.446 138 HA LEU 18 HA LEU 18 3.246 -3.921 -0.689 139 1HB LEU 18 1HB LEU 18 1.433 -2.717 -2.730 140 2HB LEU 18 2HB LEU 18 3.115 -2.986 -3.127 141 HG LEU 18 HG LEU 18 1.254 -5.141 -2.157 142 1HD1 LEU 18 1HD1 LEU 18 2.152 -4.482 -4.957 143 2HD1 LEU 18 2HD1 LEU 18 0.513 -4.329 -4.324 144 3HD1 LEU 18 3HD1 LEU 18 1.253 -5.923 -4.482 145 1HD2 LEU 18 1HD2 LEU 18 3.987 -5.277 -3.417 146 2HD2 LEU 18 2HD2 LEU 18 3.002 -6.649 -2.909 147 3HD2 LEU 18 3HD2 LEU 18 3.634 -5.525 -1.705 148 H THR 19 H THR 19 5.057 -2.892 -0.190 149 HA THR 19 HA THR 19 5.075 0.026 -0.130 150 HB THR 19 HB THR 19 7.173 -1.918 0.856 151 HG1 THR 19 HG1 THR 19 4.754 -1.272 1.849 152 1HG2 THR 19 1HG2 THR 19 7.965 0.003 2.177 153 2HG2 THR 19 2HG2 THR 19 6.754 1.025 1.403 154 3HG2 THR 19 3HG2 THR 19 8.056 0.321 0.445 155 H PHE 20 H PHE 20 5.685 1.025 -1.915 156 HA PHE 20 HA PHE 20 7.779 -0.143 -3.622 157 1HB PHE 20 1HB PHE 20 5.658 1.951 -4.131 158 2HB PHE 20 2HB PHE 20 6.988 1.669 -5.244 159 HD1 PHE 20 HD1 PHE 20 4.333 -0.257 -3.469 160 HD2 PHE 20 HD2 PHE 20 6.597 0.313 -7.017 161 HE1 PHE 20 HE1 PHE 20 3.006 -1.998 -4.591 162 HE2 PHE 20 HE2 PHE 20 5.285 -1.434 -8.145 163 HZ PHE 20 HZ PHE 20 3.485 -2.584 -6.927 164 H ASP 21 H ASP 21 9.419 1.347 -4.469 165 HA ASP 21 HA ASP 21 10.159 3.330 -2.454 166 1HB ASP 21 1HB ASP 21 12.370 3.163 -3.197 167 2HB ASP 21 2HB ASP 21 11.767 1.524 -3.386 168 H GLU 22 H GLU 22 11.574 5.194 -3.743 169 HA GLU 22 HA GLU 22 9.539 6.822 -4.847 170 1HB GLU 22 1HB GLU 22 11.420 8.421 -5.274 171 2HB GLU 22 2HB GLU 22 11.276 7.877 -3.613 172 1HG GLU 22 1HG GLU 22 13.109 6.393 -5.409 173 2HG GLU 22 2HG GLU 22 13.597 7.995 -4.866 174 H ASN 23 H ASN 23 11.710 4.576 -6.264 175 HA ASN 23 HA ASN 23 11.360 5.695 -8.932 176 1HB ASN 23 1HB ASN 23 12.906 3.262 -8.014 177 2HB ASN 23 2HB ASN 23 12.923 3.942 -9.632 178 1HD2 ASN 23 1HD2 ASN 23 14.019 4.255 -6.379 179 2HD2 ASN 23 2HD2 ASN 23 15.181 5.515 -6.666 180 H TYR 24 H TYR 24 9.466 4.112 -6.979 181 HA TYR 24 HA TYR 24 7.544 2.959 -7.228 182 1HB TYR 24 1HB TYR 24 8.060 3.298 -10.186 183 2HB TYR 24 2HB TYR 24 6.538 2.787 -9.465 184 HD1 TYR 24 HD1 TYR 24 5.328 4.401 -7.939 185 HD2 TYR 24 HD2 TYR 24 8.589 5.578 -10.397 186 HE1 TYR 24 HE1 TYR 24 4.633 6.748 -7.727 187 HE2 TYR 24 HE2 TYR 24 7.905 7.931 -10.190 188 HH TYR 24 HH TYR 24 5.819 9.048 -7.903 189 H ASN 25 H ASN 25 10.039 1.519 -6.974 190 HA ASN 25 HA ASN 25 9.306 -1.007 -8.306 191 1HB ASN 25 1HB ASN 25 11.849 -0.239 -6.851 192 2HB ASN 25 2HB ASN 25 11.534 -1.815 -7.566 193 1HD2 ASN 25 1HD2 ASN 25 12.268 1.501 -8.152 194 2HD2 ASN 25 2HD2 ASN 25 12.685 1.332 -9.824 195 H LEU 26 H LEU 26 8.922 -2.867 -7.064 196 HA LEU 26 HA LEU 26 7.719 -2.364 -4.543 197 1HB LEU 26 1HB LEU 26 6.869 -4.086 -6.025 198 2HB LEU 26 2HB LEU 26 8.390 -4.957 -5.931 199 HG LEU 26 HG LEU 26 8.010 -5.447 -3.580 200 1HD1 LEU 26 1HD1 LEU 26 6.836 -3.407 -2.963 201 2HD1 LEU 26 2HD1 LEU 26 5.910 -4.831 -2.491 202 3HD1 LEU 26 3HD1 LEU 26 5.439 -3.907 -3.916 203 1HD2 LEU 26 1HD2 LEU 26 7.104 -6.986 -5.237 204 2HD2 LEU 26 2HD2 LEU 26 5.599 -6.066 -5.281 205 3HD2 LEU 26 3HD2 LEU 26 6.071 -6.915 -3.810 206 H LEU 27 H LEU 27 8.500 -2.490 -2.573 207 HA LEU 27 HA LEU 27 11.231 -3.499 -2.177 208 1HB LEU 27 1HB LEU 27 9.584 -1.643 -0.455 209 2HB LEU 27 2HB LEU 27 11.238 -2.130 -0.141 210 HG LEU 27 HG LEU 27 10.350 -0.520 -2.534 211 1HD1 LEU 27 1HD1 LEU 27 10.056 0.739 -0.480 212 2HD1 LEU 27 2HD1 LEU 27 11.433 1.361 -1.388 213 3HD1 LEU 27 3HD1 LEU 27 11.698 0.338 0.022 214 1HD2 LEU 27 1HD2 LEU 27 12.348 -1.835 -2.959 215 2HD2 LEU 27 2HD2 LEU 27 13.088 -1.220 -1.484 216 3HD2 LEU 27 3HD2 LEU 27 12.756 -0.125 -2.825 217 H ASP 28 H ASP 28 8.106 -3.283 -0.465 218 HA ASP 28 HA ASP 28 8.668 -5.904 0.741 219 1HB ASP 28 1HB ASP 28 9.239 -4.187 2.388 220 2HB ASP 28 2HB ASP 28 7.649 -3.458 2.203 221 H THR 29 H THR 29 6.995 -7.256 0.903 222 HA THR 29 HA THR 29 4.364 -6.291 -0.006 223 HB THR 29 HB THR 29 5.410 -9.120 -0.174 224 HG1 THR 29 HG1 THR 29 6.673 -7.636 -1.456 225 1HG2 THR 29 1HG2 THR 29 3.116 -7.723 -1.547 226 2HG2 THR 29 2HG2 THR 29 2.985 -8.921 -0.259 227 3HG2 THR 29 3HG2 THR 29 3.623 -9.388 -1.836 228 H SER 30 H SER 30 2.811 -6.317 1.545 229 HA SER 30 HA SER 30 3.140 -8.218 3.775 230 1HB SER 30 1HB SER 30 3.800 -5.699 4.143 231 2HB SER 30 2HB SER 30 2.058 -5.462 4.247 232 HG SER 30 HG SER 30 2.157 -7.244 5.867 233 H GLY 31 H GLY 31 1.274 -9.091 4.619 234 1HA GLY 31 1HA GLY 31 -0.976 -9.448 4.977 235 2HA GLY 31 2HA GLY 31 -1.308 -7.935 4.151 236 H VAL 32 H VAL 32 -3.062 -8.805 3.060 237 HA VAL 32 HA VAL 32 -3.065 -11.162 1.545 238 HB VAL 32 HB VAL 32 -4.678 -8.670 0.979 239 1HG1 VAL 32 1HG1 VAL 32 -4.774 -10.326 -0.807 240 2HG1 VAL 32 2HG1 VAL 32 -6.316 -10.227 0.044 241 3HG1 VAL 32 3HG1 VAL 32 -5.219 -11.572 0.359 242 1HG2 VAL 32 1HG2 VAL 32 -4.887 -9.324 3.317 243 2HG2 VAL 32 2HG2 VAL 32 -5.305 -10.967 2.828 244 3HG2 VAL 32 3HG2 VAL 32 -6.383 -9.626 2.433 245 H ALA 33 H ALA 33 -1.576 -8.145 0.919 246 HA ALA 33 HA ALA 33 -1.583 -8.097 -1.890 247 1HB ALA 33 1HB ALA 33 0.302 -6.573 -1.696 248 2HB ALA 33 2HB ALA 33 0.517 -7.027 -0.007 249 3HB ALA 33 3HB ALA 33 -0.944 -6.178 -0.514 250 H LYS 34 H LYS 34 -0.043 -10.228 0.266 251 HA LYS 34 HA LYS 34 2.219 -10.875 -1.362 252 1HB LYS 34 1HB LYS 34 0.930 -12.376 0.921 253 2HB LYS 34 2HB LYS 34 2.473 -12.779 0.191 254 1HG LYS 34 1HG LYS 34 3.382 -10.628 0.895 255 2HG LYS 34 2HG LYS 34 1.829 -10.213 1.621 256 1HD LYS 34 1HD LYS 34 3.595 -12.526 2.420 257 2HD LYS 34 2HD LYS 34 3.423 -11.006 3.301 258 1HE LYS 34 1HE LYS 34 1.000 -11.505 3.566 259 2HE LYS 34 2HE LYS 34 1.282 -13.076 2.815 260 1HZ LYS 34 1HZ LYS 34 1.282 -13.269 5.209 261 2HZ LYS 34 2HZ LYS 34 2.499 -12.100 5.343 262 3HZ LYS 34 3HZ LYS 34 2.837 -13.590 4.617 263 H VAL 35 H VAL 35 -1.100 -11.905 -1.227 264 HA VAL 35 HA VAL 35 -0.500 -14.185 -2.977 265 HB VAL 35 HB VAL 35 -2.728 -15.004 -2.557 266 1HG1 VAL 35 1HG1 VAL 35 -1.044 -15.598 -0.935 267 2HG1 VAL 35 2HG1 VAL 35 -2.600 -15.389 -0.132 268 3HG1 VAL 35 3HG1 VAL 35 -1.369 -14.128 -0.015 269 1HG2 VAL 35 1HG2 VAL 35 -3.955 -12.915 -2.465 270 2HG2 VAL 35 2HG2 VAL 35 -3.168 -12.493 -0.944 271 3HG2 VAL 35 3HG2 VAL 35 -4.271 -13.868 -1.016 272 H ILE 36 H ILE 36 -1.837 -11.027 -2.978 273 HA ILE 36 HA ILE 36 -3.247 -11.271 -5.473 274 HB ILE 36 HB ILE 36 -2.353 -8.839 -3.904 275 1HG1 ILE 36 1HG1 ILE 36 -5.131 -9.976 -4.251 276 2HG1 ILE 36 2HG1 ILE 36 -4.096 -10.357 -2.880 277 1HG2 ILE 36 1HG2 ILE 36 -2.573 -8.303 -6.280 278 2HG2 ILE 36 2HG2 ILE 36 -3.837 -7.531 -5.322 279 3HG2 ILE 36 3HG2 ILE 36 -4.207 -8.966 -6.276 280 1HD1 ILE 36 1HD1 ILE 36 -4.052 -7.997 -2.263 281 2HD1 ILE 36 2HD1 ILE 36 -5.698 -8.630 -2.316 282 3HD1 ILE 36 3HD1 ILE 36 -5.097 -7.622 -3.634 283 H GLU 37 H GLU 37 -2.530 -10.540 -7.506 284 HA GLU 37 HA GLU 37 0.240 -10.827 -8.027 285 1HB GLU 37 1HB GLU 37 -0.312 -10.252 -10.333 286 2HB GLU 37 2HB GLU 37 -1.466 -11.409 -9.690 287 1HG GLU 37 1HG GLU 37 -3.064 -9.591 -9.316 288 2HG GLU 37 2HG GLU 37 -1.904 -8.449 -9.995 289 H LYS 38 H LYS 38 1.624 -9.207 -9.050 290 HA LYS 38 HA LYS 38 1.529 -6.780 -7.494 291 1HB LYS 38 1HB LYS 38 3.552 -8.080 -9.275 292 2HB LYS 38 2HB LYS 38 3.720 -6.374 -8.895 293 1HG LYS 38 1HG LYS 38 5.022 -7.924 -7.427 294 2HG LYS 38 2HG LYS 38 3.944 -6.823 -6.573 295 1HD LYS 38 1HD LYS 38 2.304 -8.599 -6.311 296 2HD LYS 38 2HD LYS 38 3.327 -9.703 -7.228 297 1HE LYS 38 1HE LYS 38 4.238 -8.366 -4.693 298 2HE LYS 38 2HE LYS 38 3.404 -9.919 -4.701 299 1HZ LYS 38 1HZ LYS 38 5.157 -10.831 -6.072 300 2HZ LYS 38 2HZ LYS 38 5.810 -10.179 -4.648 301 3HZ LYS 38 3HZ LYS 38 5.958 -9.334 -6.108 302 H SER 39 H SER 39 1.476 -7.665 -10.918 303 HA SER 39 HA SER 39 0.757 -6.611 -12.784 304 1HB SER 39 1HB SER 39 -1.364 -5.373 -12.579 305 2HB SER 39 2HB SER 39 -1.385 -6.855 -11.629 306 HG SER 39 HG SER 39 -0.519 -5.071 -9.976 307 HA PRO 40 HA PRO 40 2.455 -2.491 -13.320 308 1HB PRO 40 1HB PRO 40 0.187 -1.353 -14.746 309 2HB PRO 40 2HB PRO 40 1.763 -1.840 -15.373 310 1HG PRO 40 1HG PRO 40 -0.529 -3.156 -15.970 311 2HG PRO 40 2HG PRO 40 1.048 -3.961 -15.881 312 1HD PRO 40 1HD PRO 40 -1.150 -3.873 -13.845 313 2HD PRO 40 2HD PRO 40 -0.143 -5.245 -14.357 314 H ILE 41 H ILE 41 1.115 -2.692 -10.828 315 HA ILE 41 HA ILE 41 -0.688 -0.589 -10.328 316 HB ILE 41 HB ILE 41 1.229 -2.003 -8.474 317 1HG1 ILE 41 1HG1 ILE 41 -1.756 -2.214 -8.894 318 2HG1 ILE 41 2HG1 ILE 41 -0.554 -3.397 -9.394 319 1HG2 ILE 41 1HG2 ILE 41 -0.030 -1.034 -6.615 320 2HG2 ILE 41 2HG2 ILE 41 -0.966 -0.066 -7.754 321 3HG2 ILE 41 3HG2 ILE 41 0.767 0.213 -7.576 322 1HD1 ILE 41 1HD1 ILE 41 0.004 -3.813 -7.052 323 2HD1 ILE 41 2HD1 ILE 41 -1.703 -4.112 -7.386 324 3HD1 ILE 41 3HD1 ILE 41 -1.210 -2.634 -6.558 325 H ALA 42 H ALA 42 2.814 -0.709 -10.426 326 HA ALA 42 HA ALA 42 3.447 1.678 -9.137 327 1HB ALA 42 1HB ALA 42 5.117 0.025 -9.780 328 2HB ALA 42 2HB ALA 42 5.539 1.621 -10.397 329 3HB ALA 42 3HB ALA 42 4.856 0.410 -11.481 330 H GLU 43 H GLU 43 2.435 1.096 -12.452 331 HA GLU 43 HA GLU 43 2.873 3.672 -13.492 332 1HB GLU 43 1HB GLU 43 2.334 1.618 -14.821 333 2HB GLU 43 2HB GLU 43 0.674 1.745 -14.261 334 1HG GLU 43 1HG GLU 43 0.748 2.672 -16.432 335 2HG GLU 43 2HG GLU 43 0.596 4.021 -15.306 336 H ILE 44 H ILE 44 0.181 2.262 -11.716 337 HA ILE 44 HA ILE 44 -1.467 4.604 -12.042 338 HB ILE 44 HB ILE 44 -1.961 2.419 -10.033 339 1HG1 ILE 44 1HG1 ILE 44 -1.487 1.309 -12.174 340 2HG1 ILE 44 2HG1 ILE 44 -3.195 1.184 -11.771 341 1HG2 ILE 44 1HG2 ILE 44 -4.306 2.978 -10.465 342 2HG2 ILE 44 2HG2 ILE 44 -3.802 4.184 -11.649 343 3HG2 ILE 44 3HG2 ILE 44 -3.395 4.396 -9.946 344 1HD1 ILE 44 1HD1 ILE 44 -3.678 3.014 -13.331 345 2HD1 ILE 44 2HD1 ILE 44 -2.904 1.643 -14.122 346 3HD1 ILE 44 3HD1 ILE 44 -1.967 3.089 -13.752 347 H ILE 45 H ILE 45 0.808 3.336 -9.725 348 HA ILE 45 HA ILE 45 0.169 4.939 -7.509 349 HB ILE 45 HB ILE 45 2.875 3.871 -8.354 350 1HG1 ILE 45 1HG1 ILE 45 0.872 2.869 -6.317 351 2HG1 ILE 45 2HG1 ILE 45 1.198 2.136 -7.884 352 1HG2 ILE 45 1HG2 ILE 45 3.552 4.273 -6.023 353 2HG2 ILE 45 2HG2 ILE 45 2.012 5.081 -5.727 354 3HG2 ILE 45 3HG2 ILE 45 3.165 5.769 -6.872 355 1HD1 ILE 45 1HD1 ILE 45 2.315 0.912 -6.127 356 2HD1 ILE 45 2HD1 ILE 45 3.135 2.378 -5.593 357 3HD1 ILE 45 3HD1 ILE 45 3.506 1.687 -7.174 358 H ARG 46 H ARG 46 2.421 5.499 -10.204 359 HA ARG 46 HA ARG 46 3.244 8.049 -9.322 360 1HB ARG 46 1HB ARG 46 4.025 8.354 -11.671 361 2HB ARG 46 2HB ARG 46 4.633 6.913 -10.881 362 1HG ARG 46 1HG ARG 46 2.978 5.576 -12.085 363 2HG ARG 46 2HG ARG 46 2.392 7.037 -12.882 364 1HD ARG 46 1HD ARG 46 5.152 5.842 -13.105 365 2HD ARG 46 2HD ARG 46 3.901 5.846 -14.350 366 HE ARG 46 HE ARG 46 5.129 8.330 -13.321 367 1HH1 ARG 46 1HH1 ARG 46 4.004 6.326 -15.974 368 2HH1 ARG 46 2HH1 ARG 46 4.415 7.506 -17.184 369 1HH2 ARG 46 1HH2 ARG 46 5.640 9.867 -14.892 370 2HH2 ARG 46 2HH2 ARG 46 5.330 9.530 -16.572 371 H LYS 47 H LYS 47 0.684 7.031 -11.561 372 HA LYS 47 HA LYS 47 -0.192 9.578 -12.312 373 1HB LYS 47 1HB LYS 47 -1.785 7.040 -11.924 374 2HB LYS 47 2HB LYS 47 -2.428 8.500 -12.661 375 1HG LYS 47 1HG LYS 47 -0.658 8.325 -14.399 376 2HG LYS 47 2HG LYS 47 -0.198 6.769 -13.699 377 1HD LYS 47 1HD LYS 47 -2.486 5.948 -14.080 378 2HD LYS 47 2HD LYS 47 -2.901 7.492 -14.826 379 1HE LYS 47 1HE LYS 47 -1.156 7.099 -16.524 380 2HE LYS 47 2HE LYS 47 -0.841 5.521 -15.800 381 1HZ LYS 47 1HZ LYS 47 -3.243 5.013 -16.225 382 2HZ LYS 47 2HZ LYS 47 -2.285 5.166 -17.613 383 3HZ LYS 47 3HZ LYS 47 -3.321 6.430 -17.152 384 H SER 48 H SER 48 -1.144 7.553 -9.564 385 HA SER 48 HA SER 48 -3.037 9.370 -8.512 386 1HB SER 48 1HB SER 48 -1.471 7.229 -7.052 387 2HB SER 48 2HB SER 48 -2.967 7.987 -6.513 388 HG SER 48 HG SER 48 -2.597 6.310 -8.775 389 H ASN 49 H ASN 49 0.422 9.134 -8.297 390 HA ASN 49 HA ASN 49 0.761 10.684 -5.944 391 1HB ASN 49 1HB ASN 49 2.592 9.317 -6.692 392 2HB ASN 49 2HB ASN 49 2.609 10.109 -8.265 393 1HD2 ASN 49 1HD2 ASN 49 3.796 11.902 -8.543 394 2HD2 ASN 49 2HD2 ASN 49 4.690 12.698 -7.286 395 H ALA 50 H ALA 50 0.444 11.444 -9.342 396 HA ALA 50 HA ALA 50 0.978 14.247 -9.012 397 1HB ALA 50 1HB ALA 50 1.373 13.097 -11.146 398 2HB ALA 50 2HB ALA 50 0.259 14.451 -11.328 399 3HB ALA 50 3HB ALA 50 -0.359 12.800 -11.300 400 H GLU 51 H GLU 51 -1.796 12.169 -8.865 401 HA GLU 51 HA GLU 51 -3.730 14.277 -9.097 402 1HB GLU 51 1HB GLU 51 -4.002 11.388 -8.281 403 2HB GLU 51 2HB GLU 51 -5.357 12.488 -8.486 404 1HG GLU 51 1HG GLU 51 -3.438 11.544 -10.597 405 2HG GLU 51 2HG GLU 51 -5.156 11.169 -10.459 406 H LEU 52 H LEU 52 -2.202 12.546 -6.447 407 HA LEU 52 HA LEU 52 -3.534 14.343 -4.566 408 1HB LEU 52 1HB LEU 52 -4.050 12.453 -3.054 409 2HB LEU 52 2HB LEU 52 -4.952 12.415 -4.556 410 HG LEU 52 HG LEU 52 -3.311 10.705 -5.403 411 1HD1 LEU 52 1HD1 LEU 52 -1.479 11.151 -3.845 412 2HD1 LEU 52 2HD1 LEU 52 -1.996 9.464 -3.788 413 3HD1 LEU 52 3HD1 LEU 52 -2.479 10.581 -2.510 414 1HD2 LEU 52 1HD2 LEU 52 -5.515 10.114 -4.596 415 2HD2 LEU 52 2HD2 LEU 52 -4.893 10.019 -2.946 416 3HD2 LEU 52 3HD2 LEU 52 -4.327 8.880 -4.167 417 H GLY 53 H GLY 53 -2.643 13.940 -2.277 418 1HA GLY 53 1HA GLY 53 0.182 13.102 -2.404 419 2HA GLY 53 2HA GLY 53 -0.316 14.539 -1.520 420 H ARG 54 H ARG 54 -2.228 14.032 0.050 421 HA ARG 54 HA ARG 54 -1.096 12.012 1.833 422 1HB ARG 54 1HB ARG 54 -1.449 14.416 2.499 423 2HB ARG 54 2HB ARG 54 -3.177 14.115 2.434 424 1HG ARG 54 1HG ARG 54 -2.234 14.035 4.714 425 2HG ARG 54 2HG ARG 54 -3.030 12.537 4.229 426 1HD ARG 54 1HD ARG 54 -1.112 11.351 4.254 427 2HD ARG 54 2HD ARG 54 -0.148 12.698 3.649 428 HE ARG 54 HE ARG 54 0.348 13.277 5.800 429 1HH1 ARG 54 1HH1 ARG 54 -2.414 11.117 5.883 430 2HH1 ARG 54 2HH1 ARG 54 -2.348 10.905 7.608 431 1HH2 ARG 54 1HH2 ARG 54 0.430 13.008 8.048 432 2HH2 ARG 54 2HH2 ARG 54 -0.740 11.992 8.846 433 H LEU 55 H LEU 55 -3.405 11.891 -0.444 434 HA LEU 55 HA LEU 55 -5.282 10.321 1.186 435 1HB LEU 55 1HB LEU 55 -5.632 11.550 -1.548 436 2HB LEU 55 2HB LEU 55 -6.800 10.474 -0.805 437 HG LEU 55 HG LEU 55 -7.627 12.656 -0.493 438 1HD1 LEU 55 1HD1 LEU 55 -7.846 11.273 1.474 439 2HD1 LEU 55 2HD1 LEU 55 -7.612 12.960 1.932 440 3HD1 LEU 55 3HD1 LEU 55 -6.274 11.818 2.062 441 1HD2 LEU 55 1HD2 LEU 55 -6.341 14.479 0.518 442 2HD2 LEU 55 2HD2 LEU 55 -5.624 13.924 -0.994 443 3HD2 LEU 55 3HD2 LEU 55 -4.911 13.446 0.546 444 H GLY 56 H GLY 56 -6.300 8.436 -0.057 445 1HA GLY 56 1HA GLY 56 -4.165 7.019 -1.527 446 2HA GLY 56 2HA GLY 56 -5.258 6.224 -0.402 447 H TYR 57 H TYR 57 -4.676 7.022 -3.599 448 HA TYR 57 HA TYR 57 -7.436 6.974 -4.487 449 1HB TYR 57 1HB TYR 57 -5.668 8.412 -5.550 450 2HB TYR 57 2HB TYR 57 -4.893 6.945 -6.131 451 HD1 TYR 57 HD1 TYR 57 -5.456 6.118 -8.222 452 HD2 TYR 57 HD2 TYR 57 -8.134 8.777 -6.260 453 HE1 TYR 57 HE1 TYR 57 -6.828 6.220 -10.254 454 HE2 TYR 57 HE2 TYR 57 -9.522 8.885 -8.287 455 HH TYR 57 HH TYR 57 -9.076 6.752 -10.949 456 H SER 58 H SER 58 -8.445 5.270 -5.469 457 HA SER 58 HA SER 58 -7.470 2.655 -5.001 458 1HB SER 58 1HB SER 58 -9.702 3.491 -6.869 459 2HB SER 58 2HB SER 58 -9.487 1.915 -6.107 460 HG SER 58 HG SER 58 -11.033 3.371 -5.067 461 H VAL 59 H VAL 59 -5.797 1.823 -6.054 462 HA VAL 59 HA VAL 59 -5.363 2.574 -8.856 463 HB VAL 59 HB VAL 59 -3.068 1.769 -8.574 464 1HG1 VAL 59 1HG1 VAL 59 -3.642 4.097 -8.025 465 2HG1 VAL 59 2HG1 VAL 59 -2.283 3.495 -7.077 466 3HG1 VAL 59 3HG1 VAL 59 -3.882 3.621 -6.342 467 1HG2 VAL 59 1HG2 VAL 59 -3.428 -0.010 -6.961 468 2HG2 VAL 59 2HG2 VAL 59 -3.885 1.170 -5.732 469 3HG2 VAL 59 3HG2 VAL 59 -2.233 1.132 -6.348 470 H TYR 60 H TYR 60 -5.781 -0.226 -6.765 471 HA TYR 60 HA TYR 60 -6.055 -1.876 -9.183 472 1HB TYR 60 1HB TYR 60 -3.875 -2.348 -8.156 473 2HB TYR 60 2HB TYR 60 -4.663 -2.681 -6.617 474 HD1 TYR 60 HD1 TYR 60 -4.102 -3.918 -10.035 475 HD2 TYR 60 HD2 TYR 60 -5.773 -4.781 -6.218 476 HE1 TYR 60 HE1 TYR 60 -4.336 -6.278 -10.679 477 HE2 TYR 60 HE2 TYR 60 -6.012 -7.146 -6.852 478 HH TYR 60 HH TYR 60 -4.516 -8.467 -9.618 479 H GLU 61 H GLU 61 -8.196 -2.268 -9.239 480 HA GLU 61 HA GLU 61 -9.465 -3.072 -6.718 481 1HB GLU 61 1HB GLU 61 -10.612 -1.218 -7.770 482 2HB GLU 61 2HB GLU 61 -10.734 -2.107 -9.285 483 1HG GLU 61 1HG GLU 61 -12.266 -3.659 -8.354 484 2HG GLU 61 2HG GLU 61 -11.973 -3.067 -6.721 485 H ASP 62 H ASP 62 -10.120 -5.036 -6.395 486 HA ASP 62 HA ASP 62 -10.571 -6.827 -8.685 487 1HB ASP 62 1HB ASP 62 -8.451 -7.416 -7.492 488 2HB ASP 62 2HB ASP 62 -9.370 -7.601 -6.003 489 H ALA 63 H ALA 63 -12.106 -8.643 -8.001 490 HA ALA 63 HA ALA 63 -14.431 -7.566 -6.846 491 1HB ALA 63 1HB ALA 63 -15.337 -9.818 -6.955 492 2HB ALA 63 2HB ALA 63 -13.719 -10.476 -7.200 493 3HB ALA 63 3HB ALA 63 -14.447 -9.442 -8.431 494 H GLN 64 H GLN 64 -11.646 -8.984 -5.445 495 HA GLN 64 HA GLN 64 -12.984 -9.562 -2.918 496 1HB GLN 64 1HB GLN 64 -10.059 -9.845 -3.610 497 2HB GLN 64 2HB GLN 64 -10.900 -10.557 -2.242 498 1HG GLN 64 1HG GLN 64 -12.103 -12.044 -3.652 499 2HG GLN 64 2HG GLN 64 -11.532 -11.218 -5.102 500 1HE2 GLN 64 1HE2 GLN 64 -9.346 -11.424 -5.696 501 2HE2 GLN 64 2HE2 GLN 64 -8.398 -12.769 -5.152 502 H TYR 65 H TYR 65 -10.113 -7.677 -3.959 503 HA TYR 65 HA TYR 65 -10.553 -5.916 -1.640 504 1HB TYR 65 1HB TYR 65 -7.845 -6.929 -2.525 505 2HB TYR 65 2HB TYR 65 -8.185 -5.929 -1.122 506 HD1 TYR 65 HD1 TYR 65 -9.383 -6.907 0.826 507 HD2 TYR 65 HD2 TYR 65 -8.079 -9.302 -2.438 508 HE1 TYR 65 HE1 TYR 65 -9.650 -8.921 2.207 509 HE2 TYR 65 HE2 TYR 65 -8.342 -11.324 -1.064 510 HH TYR 65 HH TYR 65 -8.357 -11.905 1.382 511 H ILE 66 H ILE 66 -9.292 -3.867 -1.787 512 HA ILE 66 HA ILE 66 -8.781 -3.013 -4.557 513 HB ILE 66 HB ILE 66 -10.230 -1.386 -2.458 514 1HG1 ILE 66 1HG1 ILE 66 -11.245 -2.488 -5.087 515 2HG1 ILE 66 2HG1 ILE 66 -11.618 -3.155 -3.502 516 1HG2 ILE 66 1HG2 ILE 66 -9.486 -0.700 -5.301 517 2HG2 ILE 66 2HG2 ILE 66 -8.785 -0.004 -3.839 518 3HG2 ILE 66 3HG2 ILE 66 -10.477 0.295 -4.232 519 1HD1 ILE 66 1HD1 ILE 66 -13.440 -1.784 -4.327 520 2HD1 ILE 66 2HD1 ILE 66 -12.350 -0.404 -4.474 521 3HD1 ILE 66 3HD1 ILE 66 -12.722 -1.069 -2.883 522 H GLY 67 H GLY 67 -6.834 -2.165 -4.775 523 1HA GLY 67 1HA GLY 67 -5.287 -1.460 -2.403 524 2HA GLY 67 2HA GLY 67 -4.665 -1.641 -4.036 525 H HIS 68 H HIS 68 -4.602 0.544 -1.893 526 HA HIS 68 HA HIS 68 -5.406 2.766 -3.658 527 1HB HIS 68 1HB HIS 68 -5.388 2.826 -0.629 528 2HB HIS 68 2HB HIS 68 -5.931 4.109 -1.701 529 HD1 HIS 68 HD1 HIS 68 -8.310 3.906 -2.683 530 HD2 HIS 68 HD2 HIS 68 -7.201 0.708 -0.266 531 HE1 HIS 68 HE1 HIS 68 -10.424 2.614 -2.253 532 HE2 HIS 68 HE2 HIS 68 -9.755 0.783 -0.659 533 H ALA 69 H ALA 69 -3.763 4.093 -4.220 534 HA ALA 69 HA ALA 69 -1.134 3.574 -3.116 535 1HB ALA 69 1HB ALA 69 -0.349 5.206 -4.790 536 2HB ALA 69 2HB ALA 69 -2.025 5.503 -5.252 537 3HB ALA 69 3HB ALA 69 -1.310 3.908 -5.499 538 H PHE 70 H PHE 70 -0.268 4.599 -1.476 539 HA PHE 70 HA PHE 70 -1.200 7.322 -0.848 540 1HB PHE 70 1HB PHE 70 -0.238 5.096 0.937 541 2HB PHE 70 2HB PHE 70 -0.271 6.773 1.475 542 HD1 PHE 70 HD1 PHE 70 -2.307 7.862 2.015 543 HD2 PHE 70 HD2 PHE 70 -2.321 3.914 0.428 544 HE1 PHE 70 HE1 PHE 70 -4.671 7.622 2.637 545 HE2 PHE 70 HE2 PHE 70 -4.686 3.669 1.050 546 HZ PHE 70 HZ PHE 70 -5.860 5.528 2.156 547 H LYS 71 H LYS 71 0.264 8.913 -0.616 548 HA LYS 71 HA LYS 71 3.017 8.353 -1.309 549 1HB LYS 71 1HB LYS 71 1.390 10.823 -0.919 550 2HB LYS 71 2HB LYS 71 3.137 10.939 -0.744 551 1HG LYS 71 1HG LYS 71 2.710 11.524 -2.956 552 2HG LYS 71 2HG LYS 71 3.277 9.861 -3.042 553 1HD LYS 71 1HD LYS 71 0.349 10.326 -2.823 554 2HD LYS 71 2HD LYS 71 1.129 10.686 -4.363 555 1HE LYS 71 1HE LYS 71 1.967 8.427 -4.513 556 2HE LYS 71 2HE LYS 71 1.342 8.055 -2.907 557 1HZ LYS 71 1HZ LYS 71 -0.880 8.263 -3.690 558 2HZ LYS 71 2HZ LYS 71 -0.061 7.256 -4.777 559 3HZ LYS 71 3HZ LYS 71 -0.370 8.867 -5.188 560 H LYS 72 H LYS 72 4.529 7.913 0.105 561 HA LYS 72 HA LYS 72 4.017 8.531 2.941 562 1HB LYS 72 1HB LYS 72 5.591 6.197 1.824 563 2HB LYS 72 2HB LYS 72 5.221 6.493 3.517 564 1HG LYS 72 1HG LYS 72 3.147 5.976 1.399 565 2HG LYS 72 2HG LYS 72 3.826 4.736 2.451 566 1HD LYS 72 1HD LYS 72 2.375 7.200 3.415 567 2HD LYS 72 2HD LYS 72 1.633 5.610 3.223 568 1HE LYS 72 1HE LYS 72 3.236 4.683 4.838 569 2HE LYS 72 2HE LYS 72 3.944 6.285 5.043 570 1HZ LYS 72 1HZ LYS 72 1.677 7.033 5.764 571 2HZ LYS 72 2HZ LYS 72 2.455 5.961 6.822 572 3HZ LYS 72 3HZ LYS 72 1.218 5.399 5.809 573 H ALA 73 H ALA 73 6.298 8.259 4.144 574 HA ALA 73 HA ALA 73 7.844 10.461 3.329 575 1HB ALA 73 1HB ALA 73 7.696 9.684 5.653 576 2HB ALA 73 2HB ALA 73 9.367 9.845 5.112 577 3HB ALA 73 3HB ALA 73 8.625 8.248 5.221 578 H GLY 74 H GLY 74 8.615 10.266 1.265 579 1HA GLY 74 1HA GLY 74 10.323 9.875 -0.227 580 2HA GLY 74 2HA GLY 74 11.129 8.929 1.013 581 H HIS 75 H HIS 75 8.003 7.794 0.571 582 HA HIS 75 HA HIS 75 8.816 5.836 -1.438 583 1HB HIS 75 1HB HIS 75 8.136 5.212 1.422 584 2HB HIS 75 2HB HIS 75 7.846 4.029 0.155 585 HD1 HIS 75 HD1 HIS 75 9.978 3.877 2.583 586 HD2 HIS 75 HD2 HIS 75 10.767 4.664 -1.428 587 HE1 HIS 75 HE1 HIS 75 12.383 3.226 2.217 588 HE2 HIS 75 HE2 HIS 75 12.883 3.880 -0.165 589 H PHE 76 H PHE 76 6.918 4.263 -1.836 590 HA PHE 76 HA PHE 76 4.359 5.714 -1.669 591 1HB PHE 76 1HB PHE 76 5.480 4.272 -4.083 592 2HB PHE 76 2HB PHE 76 3.859 4.952 -3.973 593 HD1 PHE 76 HD1 PHE 76 3.633 7.448 -3.649 594 HD2 PHE 76 HD2 PHE 76 7.287 5.574 -4.764 595 HE1 PHE 76 HE1 PHE 76 4.477 9.599 -4.492 596 HE2 PHE 76 HE2 PHE 76 8.139 7.721 -5.606 597 HZ PHE 76 HZ PHE 76 6.731 9.736 -5.471 598 H ILE 77 H ILE 77 2.895 4.443 -0.641 599 HA ILE 77 HA ILE 77 3.310 1.534 -0.860 600 HB ILE 77 HB ILE 77 2.294 3.009 1.575 601 1HG1 ILE 77 1HG1 ILE 77 4.926 1.604 1.051 602 2HG1 ILE 77 2HG1 ILE 77 4.695 3.341 1.214 603 1HG2 ILE 77 1HG2 ILE 77 2.403 0.827 2.679 604 2HG2 ILE 77 2HG2 ILE 77 2.891 0.079 1.158 605 3HG2 ILE 77 3HG2 ILE 77 1.286 0.795 1.314 606 1HD1 ILE 77 1HD1 ILE 77 4.230 1.300 3.375 607 2HD1 ILE 77 2HD1 ILE 77 4.019 3.044 3.535 608 3HD1 ILE 77 3HD1 ILE 77 5.622 2.373 3.240 609 H VAL 78 H VAL 78 1.639 0.310 -1.380 610 HA VAL 78 HA VAL 78 -0.947 1.634 -1.822 611 HB VAL 78 HB VAL 78 0.115 -0.949 -2.984 612 1HG1 VAL 78 1HG1 VAL 78 -2.301 -1.002 -2.785 613 2HG1 VAL 78 2HG1 VAL 78 -1.834 -0.827 -4.478 614 3HG1 VAL 78 3HG1 VAL 78 -2.423 0.571 -3.576 615 1HG2 VAL 78 1HG2 VAL 78 0.227 0.313 -5.094 616 2HG2 VAL 78 2HG2 VAL 78 1.303 0.970 -3.859 617 3HG2 VAL 78 3HG2 VAL 78 -0.222 1.779 -4.222 618 H TYR 79 H TYR 79 -2.317 1.332 -0.203 619 HA TYR 79 HA TYR 79 -2.165 -1.069 1.431 620 1HB TYR 79 1HB TYR 79 -3.745 1.492 1.696 621 2HB TYR 79 2HB TYR 79 -3.882 0.144 2.813 622 HD1 TYR 79 HD1 TYR 79 -1.398 2.524 1.394 623 HD2 TYR 79 HD2 TYR 79 -2.448 0.013 4.663 624 HE1 TYR 79 HE1 TYR 79 0.487 3.426 2.683 625 HE2 TYR 79 HE2 TYR 79 -0.561 0.911 5.961 626 HH TYR 79 HH TYR 79 1.509 2.038 5.685 627 H PHE 80 H PHE 80 -3.440 -2.748 1.123 628 HA PHE 80 HA PHE 80 -5.644 -2.539 -0.781 629 1HB PHE 80 1HB PHE 80 -4.112 -4.878 0.353 630 2HB PHE 80 2HB PHE 80 -5.554 -5.070 -0.629 631 HD1 PHE 80 HD1 PHE 80 -2.064 -3.920 -0.626 632 HD2 PHE 80 HD2 PHE 80 -5.494 -4.793 -2.983 633 HE1 PHE 80 HE1 PHE 80 -0.687 -3.816 -2.662 634 HE2 PHE 80 HE2 PHE 80 -4.125 -4.688 -5.022 635 HZ PHE 80 HZ PHE 80 -1.718 -4.201 -4.864 636 H THR 81 H THR 81 -7.614 -2.288 -0.023 637 HA THR 81 HA THR 81 -8.261 -3.311 2.660 638 HB THR 81 HB THR 81 -10.207 -1.755 2.543 639 HG1 THR 81 HG1 THR 81 -10.548 -0.535 0.792 640 1HG2 THR 81 1HG2 THR 81 -7.510 -0.476 2.114 641 2HG2 THR 81 2HG2 THR 81 -8.164 -1.039 3.653 642 3HG2 THR 81 3HG2 THR 81 -8.919 0.319 2.817 643 HA PRO 82 HA PRO 82 -11.023 -6.294 0.816 644 1HB PRO 82 1HB PRO 82 -12.940 -6.508 2.716 645 2HB PRO 82 2HB PRO 82 -11.307 -7.150 2.936 646 1HG PRO 82 1HG PRO 82 -12.487 -4.587 3.939 647 2HG PRO 82 2HG PRO 82 -11.460 -5.755 4.793 648 1HD PRO 82 1HD PRO 82 -10.497 -3.455 3.733 649 2HD PRO 82 2HD PRO 82 -9.529 -4.938 3.845 650 H LYS 83 H LYS 83 -11.381 -3.959 -0.452 651 HA LYS 83 HA LYS 83 -12.786 -2.638 -1.620 652 1HB LYS 83 1HB LYS 83 -14.502 -4.979 -1.022 653 2HB LYS 83 2HB LYS 83 -15.324 -3.515 -1.550 654 1HG LYS 83 1HG LYS 83 -13.888 -3.455 -3.548 655 2HG LYS 83 2HG LYS 83 -13.133 -4.963 -3.025 656 1HD LYS 83 1HD LYS 83 -15.053 -6.203 -3.409 657 2HD LYS 83 2HD LYS 83 -16.102 -4.785 -3.344 658 1HE LYS 83 1HE LYS 83 -14.093 -5.345 -5.525 659 2HE LYS 83 2HE LYS 83 -15.817 -5.700 -5.633 660 1HZ LYS 83 1HZ LYS 83 -16.202 -3.280 -5.207 661 2HZ LYS 83 2HZ LYS 83 -15.468 -3.629 -6.693 662 3HZ LYS 83 3HZ LYS 83 -14.536 -3.028 -5.414 663 H ASN 84 H ASN 84 -15.129 -3.628 0.860 664 HA ASN 84 HA ASN 84 -16.180 -2.507 2.526 665 1HB ASN 84 1HB ASN 84 -13.807 -1.993 3.199 666 2HB ASN 84 2HB ASN 84 -13.950 -0.470 2.331 667 1HD2 ASN 84 1HD2 ASN 84 -16.491 -1.990 4.230 668 2HD2 ASN 84 2HD2 ASN 84 -16.568 -0.754 5.441 669 H LYS 85 H LYS 85 -16.338 -1.676 -0.470 670 HA LYS 85 HA LYS 85 -17.348 1.037 -0.180 671 1HB LYS 85 1HB LYS 85 -17.021 -0.682 -2.641 672 2HB LYS 85 2HB LYS 85 -17.599 0.978 -2.646 673 1HG LYS 85 1HG LYS 85 -15.369 1.515 -1.457 674 2HG LYS 85 2HG LYS 85 -14.856 -0.062 -2.064 675 1HD LYS 85 1HD LYS 85 -14.180 1.611 -3.643 676 2HD LYS 85 2HD LYS 85 -15.505 0.687 -4.353 677 1HE LYS 85 1HE LYS 85 -17.075 2.458 -3.677 678 2HE LYS 85 2HE LYS 85 -15.729 3.385 -3.018 679 1HZ LYS 85 1HZ LYS 85 -14.767 3.462 -5.252 680 2HZ LYS 85 2HZ LYS 85 -16.306 4.177 -5.201 681 3HZ LYS 85 3HZ LYS 85 -16.113 2.627 -5.864 682 H ASN 86 H ASN 86 -18.809 -0.961 1.162 683 HA ASN 86 HA ASN 86 -21.165 -1.665 -0.259 684 1HB ASN 86 1HB ASN 86 -20.513 -2.770 1.852 685 2HB ASN 86 2HB ASN 86 -20.758 -1.255 2.717 686 1HD2 ASN 86 1HD2 ASN 86 -22.286 -3.926 1.120 687 2HD2 ASN 86 2HD2 ASN 86 -23.885 -3.630 1.719 688 H ARG 87 H ARG 87 -20.245 1.029 1.794 689 HA ARG 87 HA ARG 87 -22.104 2.764 0.408 690 1HB ARG 87 1HB ARG 87 -23.227 1.691 2.523 691 2HB ARG 87 2HB ARG 87 -22.180 2.782 3.417 692 1HG ARG 87 1HG ARG 87 -24.277 3.852 3.203 693 2HG ARG 87 2HG ARG 87 -23.173 4.667 2.093 694 1HD ARG 87 1HD ARG 87 -24.072 3.405 0.228 695 2HD ARG 87 2HD ARG 87 -25.120 2.499 1.318 696 HE ARG 87 HE ARG 87 -25.403 5.422 1.109 697 1HH1 ARG 87 1HH1 ARG 87 -26.718 2.198 0.669 698 2HH1 ARG 87 2HH1 ARG 87 -28.333 2.764 0.375 699 1HH2 ARG 87 1HH2 ARG 87 -27.535 6.163 0.686 700 2HH2 ARG 87 2HH2 ARG 87 -28.788 5.005 0.366 701 H GLU 88 H GLU 88 -21.276 4.868 0.352 702 HA GLU 88 HA GLU 88 -18.532 5.123 1.081 703 1HB GLU 88 1HB GLU 88 -19.288 7.687 0.472 704 2HB GLU 88 2HB GLU 88 -18.705 6.499 -0.680 705 1HG GLU 88 1HG GLU 88 -20.648 7.483 -1.593 706 2HG GLU 88 2HG GLU 88 -21.081 5.853 -1.097 707 H GLY 89 H GLY 89 -21.497 6.711 2.224 708 1HA GLY 89 1HA GLY 89 -22.037 7.477 4.321 709 2HA GLY 89 2HA GLY 89 -20.638 6.610 4.930 710 H VAL 90 H VAL 90 -18.747 7.696 5.309 711 HA VAL 90 HA VAL 90 -19.064 10.578 5.506 712 HB VAL 90 HB VAL 90 -18.339 9.453 7.516 713 1HG1 VAL 90 1HG1 VAL 90 -16.176 8.307 7.664 714 2HG1 VAL 90 2HG1 VAL 90 -15.967 8.493 5.922 715 3HG1 VAL 90 3HG1 VAL 90 -17.281 7.499 6.550 716 1HG2 VAL 90 1HG2 VAL 90 -16.285 10.716 8.008 717 2HG2 VAL 90 2HG2 VAL 90 -17.496 11.697 7.181 718 3HG2 VAL 90 3HG2 VAL 90 -16.110 11.070 6.289 719 H VAL 91 H VAL 91 -18.113 11.989 4.218 720 HA VAL 91 HA VAL 91 -16.340 11.056 2.137 721 HB VAL 91 HB VAL 91 -16.376 13.484 1.407 722 1HG1 VAL 91 1HG1 VAL 91 -17.792 11.767 0.405 723 2HG1 VAL 91 2HG1 VAL 91 -18.635 13.313 0.490 724 3HG1 VAL 91 3HG1 VAL 91 -19.012 12.038 1.649 725 1HG2 VAL 91 1HG2 VAL 91 -16.953 14.487 3.562 726 2HG2 VAL 91 2HG2 VAL 91 -18.513 13.663 3.533 727 3HG2 VAL 91 3HG2 VAL 91 -18.147 14.900 2.331 728 HA PRO 92 HA PRO 92 -12.602 11.640 4.360 729 1HB PRO 92 1HB PRO 92 -10.989 12.020 2.141 730 2HB PRO 92 2HB PRO 92 -11.459 10.456 2.809 731 1HG PRO 92 1HG PRO 92 -12.610 11.956 0.501 732 2HG PRO 92 2HG PRO 92 -12.332 10.214 0.686 733 1HD PRO 92 1HD PRO 92 -14.779 11.277 0.945 734 2HD PRO 92 2HD PRO 92 -14.248 9.917 1.958 735 HA PRO 93 HA PRO 93 -12.275 16.137 4.271 736 1HB PRO 93 1HB PRO 93 -11.222 16.382 6.738 737 2HB PRO 93 2HB PRO 93 -12.944 16.082 6.480 738 1HG PRO 93 1HG PRO 93 -10.785 14.184 7.280 739 2HG PRO 93 2HG PRO 93 -12.465 14.270 7.835 740 1HD PRO 93 1HD PRO 93 -11.519 12.494 5.944 741 2HD PRO 93 2HD PRO 93 -13.215 12.986 6.110 742 H VAL 94 H VAL 94 -10.649 17.035 3.178 743 HA VAL 94 HA VAL 94 -7.939 15.955 3.475 744 HB VAL 94 HB VAL 94 -9.000 17.881 1.394 745 1HG1 VAL 94 1HG1 VAL 94 -6.943 17.346 0.171 746 2HG1 VAL 94 2HG1 VAL 94 -6.401 16.350 1.522 747 3HG1 VAL 94 3HG1 VAL 94 -6.599 18.091 1.732 748 1HG2 VAL 94 1HG2 VAL 94 -8.514 14.908 1.204 749 2HG2 VAL 94 2HG2 VAL 94 -8.956 15.966 -0.137 750 3HG2 VAL 94 3HG2 VAL 94 -10.083 15.713 1.197 751 H GLY 95 H GLY 95 -9.677 19.048 3.408 752 1HA GLY 95 1HA GLY 95 -9.291 20.895 4.794 753 2HA GLY 95 2HA GLY 95 -7.798 20.144 5.342 754 H ILE 96 H ILE 96 -7.740 22.784 4.762 755 HA ILE 96 HA ILE 96 -6.889 23.243 2.064 756 HB ILE 96 HB ILE 96 -6.091 25.454 2.944 757 1HG1 ILE 96 1HG1 ILE 96 -7.346 24.477 5.523 758 2HG1 ILE 96 2HG1 ILE 96 -5.620 24.709 5.260 759 1HG2 ILE 96 1HG2 ILE 96 -8.310 25.175 1.993 760 2HG2 ILE 96 2HG2 ILE 96 -8.342 26.332 3.322 761 3HG2 ILE 96 3HG2 ILE 96 -8.939 24.692 3.569 762 1HD1 ILE 96 1HD1 ILE 96 -7.717 26.863 5.181 763 2HD1 ILE 96 2HD1 ILE 96 -5.988 27.091 4.925 764 3HD1 ILE 96 3HD1 ILE 96 -6.584 26.557 6.497 765 H THR 97 H THR 97 -5.270 22.922 5.177 766 HA THR 97 HA THR 97 -2.919 21.833 3.872 767 HB THR 97 HB THR 97 -2.614 24.116 5.842 768 HG1 THR 97 HG1 THR 97 -2.262 25.457 4.128 769 1HG2 THR 97 1HG2 THR 97 -0.631 22.732 4.028 770 2HG2 THR 97 2HG2 THR 97 -0.757 22.517 5.774 771 3HG2 THR 97 3HG2 THR 97 -0.276 24.078 5.112 772 H ASN 98 H ASN 98 -4.077 23.071 7.002 773 HA ASN 98 HA ASN 98 -4.219 20.386 8.060 774 1HB ASN 98 1HB ASN 98 -1.870 21.031 8.546 775 2HB ASN 98 2HB ASN 98 -2.458 22.453 9.406 776 1HD2 ASN 98 1HD2 ASN 98 -1.607 21.860 11.371 777 2HD2 ASN 98 2HD2 ASN 98 -2.218 20.528 12.292 Start of MODEL 16 1 H MET 1 H MET 1 -18.304 9.210 -9.619 2 HA MET 1 HA MET 1 -18.264 9.316 -7.201 3 1HB MET 1 1HB MET 1 -17.012 7.263 -6.836 4 2HB MET 1 2HB MET 1 -17.880 7.172 -8.362 5 1HG MET 1 1HG MET 1 -15.832 7.651 -9.575 6 2HG MET 1 2HG MET 1 -14.955 7.810 -8.057 7 1HE MET 1 1HE MET 1 -16.811 5.326 -10.497 8 2HE MET 1 2HE MET 1 -17.752 5.236 -9.007 9 3HE MET 1 3HE MET 1 -16.804 3.846 -9.536 10 H LYS 2 H LYS 2 -17.129 9.617 -5.291 11 HA LYS 2 HA LYS 2 -14.383 10.641 -5.507 12 1HB LYS 2 1HB LYS 2 -16.083 12.524 -5.367 13 2HB LYS 2 2HB LYS 2 -16.499 11.927 -3.769 14 1HG LYS 2 1HG LYS 2 -15.002 13.723 -3.454 15 2HG LYS 2 2HG LYS 2 -14.085 12.249 -3.137 16 1HD LYS 2 1HD LYS 2 -12.758 13.782 -4.471 17 2HD LYS 2 2HD LYS 2 -13.168 12.353 -5.422 18 1HE LYS 2 1HE LYS 2 -14.980 13.588 -6.501 19 2HE LYS 2 2HE LYS 2 -14.591 15.013 -5.539 20 1HZ LYS 2 1HZ LYS 2 -12.494 15.208 -6.629 21 2HZ LYS 2 2HZ LYS 2 -13.677 15.036 -7.833 22 3HZ LYS 2 3HZ LYS 2 -12.691 13.723 -7.423 23 H SER 3 H SER 3 -13.502 8.828 -4.592 24 HA SER 3 HA SER 3 -14.483 8.065 -1.922 25 1HB SER 3 1HB SER 3 -13.107 6.283 -3.947 26 2HB SER 3 2HB SER 3 -13.796 5.785 -2.402 27 HG SER 3 HG SER 3 -15.763 5.880 -3.221 28 H SER 4 H SER 4 -12.659 10.121 -2.227 29 HA SER 4 HA SER 4 -9.986 9.161 -1.824 30 1HB SER 4 1HB SER 4 -11.102 11.912 -1.236 31 2HB SER 4 2HB SER 4 -9.410 11.479 -1.485 32 HG SER 4 HG SER 4 -10.035 12.237 -3.421 33 H ILE 5 H ILE 5 -9.578 8.044 -0.027 34 HA ILE 5 HA ILE 5 -10.777 8.956 2.504 35 HB ILE 5 HB ILE 5 -9.861 6.159 1.787 36 1HG1 ILE 5 1HG1 ILE 5 -12.656 7.283 2.093 37 2HG1 ILE 5 2HG1 ILE 5 -11.894 6.839 0.569 38 1HG2 ILE 5 1HG2 ILE 5 -10.936 5.497 3.888 39 2HG2 ILE 5 2HG2 ILE 5 -11.299 7.188 4.232 40 3HG2 ILE 5 3HG2 ILE 5 -9.623 6.642 4.165 41 1HD1 ILE 5 1HD1 ILE 5 -11.792 4.513 1.306 42 2HD1 ILE 5 2HD1 ILE 5 -13.444 5.130 1.303 43 3HD1 ILE 5 3HD1 ILE 5 -12.568 4.964 2.824 44 HA PRO 6 HA PRO 6 -6.616 9.902 3.751 45 1HB PRO 6 1HB PRO 6 -7.064 10.077 6.439 46 2HB PRO 6 2HB PRO 6 -7.476 11.354 5.292 47 1HG PRO 6 1HG PRO 6 -9.229 9.276 6.530 48 2HG PRO 6 2HG PRO 6 -9.566 10.989 6.225 49 1HD PRO 6 1HD PRO 6 -10.510 9.012 4.634 50 2HD PRO 6 2HD PRO 6 -10.091 10.622 4.013 51 H ILE 7 H ILE 7 -4.865 9.001 4.902 52 HA ILE 7 HA ILE 7 -4.839 6.180 4.816 53 HB ILE 7 HB ILE 7 -2.853 7.541 4.333 54 1HG1 ILE 7 1HG1 ILE 7 -1.213 6.146 5.530 55 2HG1 ILE 7 2HG1 ILE 7 -2.469 5.642 6.656 56 1HG2 ILE 7 1HG2 ILE 7 -2.838 8.101 7.292 57 2HG2 ILE 7 2HG2 ILE 7 -3.126 9.271 6.004 58 3HG2 ILE 7 3HG2 ILE 7 -1.543 8.511 6.166 59 1HD1 ILE 7 1HD1 ILE 7 -2.425 5.083 3.701 60 2HD1 ILE 7 2HD1 ILE 7 -3.677 4.570 4.831 61 3HD1 ILE 7 3HD1 ILE 7 -2.036 3.937 4.984 62 H THR 8 H THR 8 -5.402 8.431 7.420 63 HA THR 8 HA THR 8 -4.788 6.760 9.588 64 HB THR 8 HB THR 8 -5.209 9.233 9.729 65 HG1 THR 8 HG1 THR 8 -6.934 8.025 11.600 66 1HG2 THR 8 1HG2 THR 8 -7.521 9.998 10.051 67 2HG2 THR 8 2HG2 THR 8 -8.110 8.386 9.646 68 3HG2 THR 8 3HG2 THR 8 -7.272 9.351 8.430 69 H GLU 9 H GLU 9 -7.415 6.739 7.368 70 HA GLU 9 HA GLU 9 -8.976 4.893 9.002 71 1HB GLU 9 1HB GLU 9 -9.452 6.166 6.307 72 2HB GLU 9 2HB GLU 9 -10.491 4.906 6.953 73 1HG GLU 9 1HG GLU 9 -9.975 7.584 8.220 74 2HG GLU 9 2HG GLU 9 -11.423 7.118 7.326 75 H VAL 10 H VAL 10 -7.368 4.991 5.833 76 HA VAL 10 HA VAL 10 -8.075 2.355 5.136 77 HB VAL 10 HB VAL 10 -5.880 4.104 4.026 78 1HG1 VAL 10 1HG1 VAL 10 -5.961 2.641 2.061 79 2HG1 VAL 10 2HG1 VAL 10 -7.109 1.592 2.894 80 3HG1 VAL 10 3HG1 VAL 10 -5.465 1.761 3.507 81 1HG2 VAL 10 1HG2 VAL 10 -8.071 5.104 3.779 82 2HG2 VAL 10 2HG2 VAL 10 -8.713 3.600 3.118 83 3HG2 VAL 10 3HG2 VAL 10 -7.508 4.517 2.214 84 H LEU 11 H LEU 11 -5.180 3.662 6.696 85 HA LEU 11 HA LEU 11 -3.479 1.502 6.367 86 1HB LEU 11 1HB LEU 11 -2.498 3.429 7.194 87 2HB LEU 11 2HB LEU 11 -3.711 3.643 8.438 88 HG LEU 11 HG LEU 11 -2.758 1.751 9.688 89 1HD1 LEU 11 1HD1 LEU 11 -1.807 0.487 7.850 90 2HD1 LEU 11 2HD1 LEU 11 -0.564 0.864 9.043 91 3HD1 LEU 11 3HD1 LEU 11 -0.646 1.777 7.537 92 1HD2 LEU 11 1HD2 LEU 11 -0.793 3.922 8.971 93 2HD2 LEU 11 2HD2 LEU 11 -0.707 2.892 10.399 94 3HD2 LEU 11 3HD2 LEU 11 -2.052 4.016 10.203 95 HA PRO 12 HA PRO 12 -4.900 -0.591 10.444 96 1HB PRO 12 1HB PRO 12 -7.095 0.356 11.739 97 2HB PRO 12 2HB PRO 12 -5.453 0.911 12.084 98 1HG PRO 12 1HG PRO 12 -7.566 2.186 10.392 99 2HG PRO 12 2HG PRO 12 -6.463 2.935 11.560 100 1HD PRO 12 1HD PRO 12 -6.024 3.026 8.896 101 2HD PRO 12 2HD PRO 12 -4.704 2.958 10.077 102 H ARG 13 H ARG 13 -7.324 0.681 8.258 103 HA ARG 13 HA ARG 13 -9.067 -1.607 8.693 104 1HB ARG 13 1HB ARG 13 -9.355 0.851 6.960 105 2HB ARG 13 2HB ARG 13 -10.565 -0.412 7.104 106 1HG ARG 13 1HG ARG 13 -10.874 0.065 9.439 107 2HG ARG 13 2HG ARG 13 -9.545 1.223 9.414 108 1HD ARG 13 1HD ARG 13 -11.631 2.415 9.355 109 2HD ARG 13 2HD ARG 13 -10.825 2.591 7.798 110 HE ARG 13 HE ARG 13 -12.512 0.434 7.527 111 1HH1 ARG 13 1HH1 ARG 13 -12.856 3.842 8.311 112 2HH1 ARG 13 2HH1 ARG 13 -14.474 3.950 7.664 113 1HH2 ARG 13 1HH2 ARG 13 -14.624 0.595 6.652 114 2HH2 ARG 13 2HH2 ARG 13 -15.458 2.131 6.695 115 H ALA 14 H ALA 14 -6.332 -1.286 7.063 116 HA ALA 14 HA ALA 14 -7.182 -2.525 4.572 117 1HB ALA 14 1HB ALA 14 -4.426 -1.778 5.550 118 2HB ALA 14 2HB ALA 14 -5.436 -0.840 4.449 119 3HB ALA 14 3HB ALA 14 -4.809 -2.410 3.948 120 H VAL 15 H VAL 15 -6.195 -4.502 3.832 121 HA VAL 15 HA VAL 15 -5.581 -6.367 6.036 122 HB VAL 15 HB VAL 15 -6.517 -8.162 4.556 123 1HG1 VAL 15 1HG1 VAL 15 -8.865 -7.630 5.018 124 2HG1 VAL 15 2HG1 VAL 15 -8.416 -5.956 5.344 125 3HG1 VAL 15 3HG1 VAL 15 -7.825 -7.246 6.391 126 1HG2 VAL 15 1HG2 VAL 15 -7.523 -5.815 2.950 127 2HG2 VAL 15 2HG2 VAL 15 -8.004 -7.496 2.721 128 3HG2 VAL 15 3HG2 VAL 15 -6.336 -7.004 2.418 129 H GLY 16 H GLY 16 -4.275 -4.751 3.498 130 1HA GLY 16 1HA GLY 16 -1.930 -6.410 3.485 131 2HA GLY 16 2HA GLY 16 -2.799 -6.442 1.956 132 H SER 17 H SER 17 -0.190 -5.464 2.138 133 HA SER 17 HA SER 17 -0.619 -2.780 1.168 134 1HB SER 17 1HB SER 17 1.222 -1.886 2.705 135 2HB SER 17 2HB SER 17 -0.358 -2.165 3.437 136 HG SER 17 HG SER 17 0.412 -3.829 4.544 137 H LEU 18 H LEU 18 0.839 -2.176 -0.314 138 HA LEU 18 HA LEU 18 3.196 -3.892 -0.697 139 1HB LEU 18 1HB LEU 18 1.344 -2.568 -2.624 140 2HB LEU 18 2HB LEU 18 3.017 -2.808 -3.079 141 HG LEU 18 HG LEU 18 1.173 -5.020 -2.199 142 1HD1 LEU 18 1HD1 LEU 18 0.395 -4.081 -4.303 143 2HD1 LEU 18 2HD1 LEU 18 1.130 -5.663 -4.568 144 3HD1 LEU 18 3HD1 LEU 18 2.024 -4.198 -4.973 145 1HD2 LEU 18 1HD2 LEU 18 3.878 -5.101 -3.521 146 2HD2 LEU 18 2HD2 LEU 18 2.898 -6.491 -3.049 147 3HD2 LEU 18 3HD2 LEU 18 3.569 -5.422 -1.814 148 H THR 19 H THR 19 5.063 -2.914 -0.270 149 HA THR 19 HA THR 19 5.133 0.001 -0.066 150 HB THR 19 HB THR 19 7.243 -2.012 0.742 151 HG1 THR 19 HG1 THR 19 4.891 -1.597 1.830 152 1HG2 THR 19 1HG2 THR 19 8.115 -0.171 2.119 153 2HG2 THR 19 2HG2 THR 19 6.874 0.900 1.470 154 3HG2 THR 19 3HG2 THR 19 8.120 0.249 0.406 155 H PHE 20 H PHE 20 5.833 1.142 -1.731 156 HA PHE 20 HA PHE 20 7.841 -0.029 -3.548 157 1HB PHE 20 1HB PHE 20 5.709 2.064 -4.034 158 2HB PHE 20 2HB PHE 20 7.009 1.736 -5.169 159 HD1 PHE 20 HD1 PHE 20 4.213 0.057 -3.382 160 HD2 PHE 20 HD2 PHE 20 6.712 0.176 -6.819 161 HE1 PHE 20 HE1 PHE 20 2.842 -1.691 -4.436 162 HE2 PHE 20 HE2 PHE 20 5.353 -1.581 -7.876 163 HZ PHE 20 HZ PHE 20 3.416 -2.508 -6.681 164 H ASP 21 H ASP 21 9.503 1.423 -4.336 165 HA ASP 21 HA ASP 21 10.198 3.448 -2.347 166 1HB ASP 21 1HB ASP 21 12.419 3.252 -3.029 167 2HB ASP 21 2HB ASP 21 11.814 1.617 -3.256 168 H GLU 22 H GLU 22 11.633 5.303 -3.648 169 HA GLU 22 HA GLU 22 9.638 6.905 -4.830 170 1HB GLU 22 1HB GLU 22 11.599 8.420 -5.385 171 2HB GLU 22 2HB GLU 22 11.340 8.043 -3.691 172 1HG GLU 22 1HG GLU 22 13.206 6.299 -5.168 173 2HG GLU 22 2HG GLU 22 13.730 7.955 -4.855 174 H ASN 23 H ASN 23 11.912 4.660 -6.183 175 HA ASN 23 HA ASN 23 11.508 5.631 -8.888 176 1HB ASN 23 1HB ASN 23 12.981 3.208 -7.829 177 2HB ASN 23 2HB ASN 23 12.940 3.704 -9.510 178 1HD2 ASN 23 1HD2 ASN 23 14.140 4.417 -6.342 179 2HD2 ASN 23 2HD2 ASN 23 15.351 5.562 -6.839 180 H TYR 24 H TYR 24 9.617 4.082 -6.825 181 HA TYR 24 HA TYR 24 7.664 2.971 -7.016 182 1HB TYR 24 1HB TYR 24 8.100 3.279 -9.993 183 2HB TYR 24 2HB TYR 24 6.594 2.783 -9.228 184 HD1 TYR 24 HD1 TYR 24 8.684 5.565 -10.172 185 HD2 TYR 24 HD2 TYR 24 5.386 4.416 -7.747 186 HE1 TYR 24 HE1 TYR 24 8.029 7.927 -9.959 187 HE2 TYR 24 HE2 TYR 24 4.719 6.772 -7.528 188 HH TYR 24 HH TYR 24 5.878 9.036 -7.670 189 H ASN 25 H ASN 25 10.161 1.511 -6.827 190 HA ASN 25 HA ASN 25 9.443 -0.996 -8.189 191 1HB ASN 25 1HB ASN 25 11.936 -0.210 -6.664 192 2HB ASN 25 2HB ASN 25 11.645 -1.819 -7.315 193 1HD2 ASN 25 1HD2 ASN 25 12.388 1.476 -8.041 194 2HD2 ASN 25 2HD2 ASN 25 12.832 1.229 -9.695 195 H LEU 26 H LEU 26 9.031 -2.886 -7.023 196 HA LEU 26 HA LEU 26 7.718 -2.530 -4.546 197 1HB LEU 26 1HB LEU 26 7.021 -4.236 -6.111 198 2HB LEU 26 2HB LEU 26 8.584 -5.024 -6.002 199 HG LEU 26 HG LEU 26 8.151 -5.659 -3.702 200 1HD1 LEU 26 1HD1 LEU 26 6.872 -3.742 -2.982 201 2HD1 LEU 26 2HD1 LEU 26 5.953 -5.218 -2.684 202 3HD1 LEU 26 3HD1 LEU 26 5.548 -4.187 -4.056 203 1HD2 LEU 26 1HD2 LEU 26 5.824 -6.297 -5.511 204 2HD2 LEU 26 2HD2 LEU 26 6.298 -7.204 -4.075 205 3HD2 LEU 26 3HD2 LEU 26 7.372 -7.143 -5.472 206 H LEU 27 H LEU 27 8.521 -2.457 -2.584 207 HA LEU 27 HA LEU 27 11.230 -3.474 -2.096 208 1HB LEU 27 1HB LEU 27 9.549 -1.580 -0.459 209 2HB LEU 27 2HB LEU 27 11.188 -2.070 -0.080 210 HG LEU 27 HG LEU 27 10.339 -0.450 -2.481 211 1HD1 LEU 27 1HD1 LEU 27 11.821 0.298 0.034 212 2HD1 LEU 27 2HD1 LEU 27 10.196 0.811 -0.422 213 3HD1 LEU 27 3HD1 LEU 27 11.589 1.351 -1.360 214 1HD2 LEU 27 1HD2 LEU 27 12.248 -1.887 -2.985 215 2HD2 LEU 27 2HD2 LEU 27 13.089 -1.283 -1.558 216 3HD2 LEU 27 3HD2 LEU 27 12.735 -0.194 -2.898 217 H ASP 28 H ASP 28 7.965 -3.433 -0.696 218 HA ASP 28 HA ASP 28 8.547 -5.946 0.680 219 1HB ASP 28 1HB ASP 28 9.104 -4.290 2.339 220 2HB ASP 28 2HB ASP 28 7.615 -3.410 2.026 221 H THR 29 H THR 29 6.849 -7.292 0.847 222 HA THR 29 HA THR 29 4.226 -6.283 -0.043 223 HB THR 29 HB THR 29 5.363 -9.045 -0.524 224 HG1 THR 29 HG1 THR 29 6.462 -7.605 -1.848 225 1HG2 THR 29 1HG2 THR 29 2.932 -9.005 -0.392 226 2HG2 THR 29 2HG2 THR 29 3.460 -9.288 -2.052 227 3HG2 THR 29 3HG2 THR 29 2.877 -7.693 -1.570 228 H SER 30 H SER 30 2.657 -6.496 1.447 229 HA SER 30 HA SER 30 2.963 -8.531 3.546 230 1HB SER 30 1HB SER 30 2.196 -5.645 4.029 231 2HB SER 30 2HB SER 30 2.378 -6.901 5.254 232 HG SER 30 HG SER 30 4.385 -5.702 3.645 233 H GLY 31 H GLY 31 1.052 -9.285 4.481 234 1HA GLY 31 1HA GLY 31 -1.202 -9.572 4.822 235 2HA GLY 31 2HA GLY 31 -1.481 -8.047 3.999 236 H VAL 32 H VAL 32 -3.194 -8.723 2.792 237 HA VAL 32 HA VAL 32 -3.246 -11.117 1.282 238 HB VAL 32 HB VAL 32 -4.849 -8.606 0.763 239 1HG1 VAL 32 1HG1 VAL 32 -4.991 -10.206 -1.047 240 2HG1 VAL 32 2HG1 VAL 32 -6.510 -10.181 -0.151 241 3HG1 VAL 32 3HG1 VAL 32 -5.366 -11.500 0.090 242 1HG2 VAL 32 1HG2 VAL 32 -5.041 -9.295 3.101 243 2HG2 VAL 32 2HG2 VAL 32 -5.475 -10.924 2.586 244 3HG2 VAL 32 3HG2 VAL 32 -6.548 -9.571 2.226 245 H ALA 33 H ALA 33 -1.716 -8.109 0.764 246 HA ALA 33 HA ALA 33 -1.687 -7.985 -2.048 247 1HB ALA 33 1HB ALA 33 -1.056 -6.089 -0.649 248 2HB ALA 33 2HB ALA 33 0.236 -6.492 -1.780 249 3HB ALA 33 3HB ALA 33 0.368 -6.963 -0.087 250 H LYS 34 H LYS 34 -0.198 -10.147 0.101 251 HA LYS 34 HA LYS 34 2.108 -10.770 -1.467 252 1HB LYS 34 1HB LYS 34 0.748 -12.333 0.734 253 2HB LYS 34 2HB LYS 34 2.342 -12.665 0.084 254 1HG LYS 34 1HG LYS 34 3.145 -10.515 0.888 255 2HG LYS 34 2HG LYS 34 1.536 -10.145 1.512 256 1HD LYS 34 1HD LYS 34 2.727 -10.923 3.375 257 2HD LYS 34 2HD LYS 34 1.754 -12.299 2.856 258 1HE LYS 34 1HE LYS 34 3.885 -13.175 3.303 259 2HE LYS 34 2HE LYS 34 3.777 -13.061 1.547 260 1HZ LYS 34 1HZ LYS 34 5.078 -11.011 3.254 261 2HZ LYS 34 2HZ LYS 34 5.132 -11.121 1.560 262 3HZ LYS 34 3HZ LYS 34 5.913 -12.284 2.512 263 H VAL 35 H VAL 35 -1.213 -11.817 -1.414 264 HA VAL 35 HA VAL 35 -0.569 -13.999 -3.267 265 HB VAL 35 HB VAL 35 -2.820 -14.855 -2.897 266 1HG1 VAL 35 1HG1 VAL 35 -2.573 -15.506 -0.534 267 2HG1 VAL 35 2HG1 VAL 35 -1.311 -14.286 -0.352 268 3HG1 VAL 35 3HG1 VAL 35 -1.070 -15.649 -1.445 269 1HG2 VAL 35 1HG2 VAL 35 -4.033 -12.799 -2.505 270 2HG2 VAL 35 2HG2 VAL 35 -3.149 -12.530 -1.003 271 3HG2 VAL 35 3HG2 VAL 35 -4.260 -13.893 -1.141 272 H ILE 36 H ILE 36 -2.102 -10.909 -3.045 273 HA ILE 36 HA ILE 36 -3.514 -10.976 -5.512 274 HB ILE 36 HB ILE 36 -2.415 -8.676 -3.881 275 1HG1 ILE 36 1HG1 ILE 36 -5.250 -9.665 -4.242 276 2HG1 ILE 36 2HG1 ILE 36 -4.224 -10.062 -2.867 277 1HG2 ILE 36 1HG2 ILE 36 -3.798 -7.186 -5.218 278 2HG2 ILE 36 2HG2 ILE 36 -4.294 -8.538 -6.236 279 3HG2 ILE 36 3HG2 ILE 36 -2.613 -8.010 -6.232 280 1HD1 ILE 36 1HD1 ILE 36 -5.129 -7.300 -3.644 281 2HD1 ILE 36 2HD1 ILE 36 -4.115 -7.711 -2.260 282 3HD1 ILE 36 3HD1 ILE 36 -5.784 -8.280 -2.332 283 H GLU 37 H GLU 37 -2.855 -10.285 -7.569 284 HA GLU 37 HA GLU 37 -0.078 -10.646 -8.133 285 1HB GLU 37 1HB GLU 37 -0.673 -10.170 -10.462 286 2HB GLU 37 2HB GLU 37 -1.751 -11.356 -9.743 287 1HG GLU 37 1HG GLU 37 -3.474 -9.690 -9.487 288 2HG GLU 37 2HG GLU 37 -2.386 -8.436 -10.090 289 H LYS 38 H LYS 38 1.432 -9.174 -8.839 290 HA LYS 38 HA LYS 38 1.384 -6.751 -7.396 291 1HB LYS 38 1HB LYS 38 3.274 -8.033 -9.312 292 2HB LYS 38 2HB LYS 38 3.501 -6.335 -8.924 293 1HG LYS 38 1HG LYS 38 4.843 -7.933 -7.550 294 2HG LYS 38 2HG LYS 38 3.843 -6.812 -6.627 295 1HD LYS 38 1HD LYS 38 2.242 -8.511 -6.151 296 2HD LYS 38 2HD LYS 38 2.985 -9.620 -7.304 297 1HE LYS 38 1HE LYS 38 4.396 -8.573 -4.859 298 2HE LYS 38 2HE LYS 38 3.481 -10.081 -4.881 299 1HZ LYS 38 1HZ LYS 38 4.935 -10.919 -6.599 300 2HZ LYS 38 2HZ LYS 38 5.855 -10.443 -5.255 301 3HZ LYS 38 3HZ LYS 38 5.800 -9.461 -6.638 302 H SER 39 H SER 39 0.856 -7.481 -10.804 303 HA SER 39 HA SER 39 -0.238 -6.316 -12.422 304 1HB SER 39 1HB SER 39 -1.118 -4.572 -10.107 305 2HB SER 39 2HB SER 39 -1.877 -4.639 -11.697 306 HG SER 39 HG SER 39 -1.777 -6.650 -9.701 307 HA PRO 40 HA PRO 40 2.096 -2.547 -13.414 308 1HB PRO 40 1HB PRO 40 0.357 -1.005 -14.771 309 2HB PRO 40 2HB PRO 40 0.992 -2.508 -15.452 310 1HG PRO 40 1HG PRO 40 -1.645 -1.994 -14.128 311 2HG PRO 40 2HG PRO 40 -1.293 -2.917 -15.602 312 1HD PRO 40 1HD PRO 40 -1.701 -4.076 -13.170 313 2HD PRO 40 2HD PRO 40 -0.675 -4.788 -14.431 314 H ILE 41 H ILE 41 0.969 -2.610 -10.773 315 HA ILE 41 HA ILE 41 -0.623 -0.372 -10.167 316 HB ILE 41 HB ILE 41 1.236 -1.965 -8.400 317 1HG1 ILE 41 1HG1 ILE 41 -1.761 -2.001 -8.792 318 2HG1 ILE 41 2HG1 ILE 41 -0.629 -3.241 -9.316 319 1HG2 ILE 41 1HG2 ILE 41 0.885 0.282 -7.474 320 2HG2 ILE 41 2HG2 ILE 41 0.109 -0.961 -6.493 321 3HG2 ILE 41 3HG2 ILE 41 -0.859 0.044 -7.573 322 1HD1 ILE 41 1HD1 ILE 41 -1.239 -2.487 -6.468 323 2HD1 ILE 41 2HD1 ILE 41 -0.080 -3.714 -6.979 324 3HD1 ILE 41 3HD1 ILE 41 -1.799 -3.930 -7.313 325 H ALA 42 H ALA 42 2.875 -0.767 -10.366 326 HA ALA 42 HA ALA 42 3.657 1.586 -9.066 327 1HB ALA 42 1HB ALA 42 5.012 0.251 -11.408 328 2HB ALA 42 2HB ALA 42 5.223 -0.187 -9.712 329 3HB ALA 42 3HB ALA 42 5.753 1.394 -10.288 330 H GLU 43 H GLU 43 2.592 1.018 -12.356 331 HA GLU 43 HA GLU 43 3.128 3.574 -13.413 332 1HB GLU 43 1HB GLU 43 2.626 1.584 -14.790 333 2HB GLU 43 2HB GLU 43 0.978 1.590 -14.181 334 1HG GLU 43 1HG GLU 43 0.859 2.578 -16.295 335 2HG GLU 43 2HG GLU 43 0.774 3.918 -15.151 336 H ILE 44 H ILE 44 0.389 2.205 -11.676 337 HA ILE 44 HA ILE 44 -1.243 4.543 -12.065 338 HB ILE 44 HB ILE 44 -1.754 2.385 -10.023 339 1HG1 ILE 44 1HG1 ILE 44 -1.307 1.295 -12.186 340 2HG1 ILE 44 2HG1 ILE 44 -3.004 1.160 -11.744 341 1HG2 ILE 44 1HG2 ILE 44 -4.094 2.975 -10.418 342 2HG2 ILE 44 2HG2 ILE 44 -3.595 4.170 -11.615 343 3HG2 ILE 44 3HG2 ILE 44 -3.161 4.385 -9.920 344 1HD1 ILE 44 1HD1 ILE 44 -3.556 2.965 -13.287 345 2HD1 ILE 44 2HD1 ILE 44 -2.732 1.640 -14.112 346 3HD1 ILE 44 3HD1 ILE 44 -1.853 3.119 -13.720 347 H ILE 45 H ILE 45 1.030 3.384 -9.689 348 HA ILE 45 HA ILE 45 0.288 5.027 -7.524 349 HB ILE 45 HB ILE 45 3.028 3.937 -8.230 350 1HG1 ILE 45 1HG1 ILE 45 0.956 3.001 -6.232 351 2HG1 ILE 45 2HG1 ILE 45 1.290 2.239 -7.785 352 1HG2 ILE 45 1HG2 ILE 45 2.057 5.191 -5.663 353 2HG2 ILE 45 2HG2 ILE 45 3.228 5.887 -6.784 354 3HG2 ILE 45 3HG2 ILE 45 3.620 4.410 -5.901 355 1HD1 ILE 45 1HD1 ILE 45 3.225 2.503 -5.497 356 2HD1 ILE 45 2HD1 ILE 45 3.559 1.739 -7.051 357 3HD1 ILE 45 3HD1 ILE 45 2.355 1.041 -5.968 358 H ARG 46 H ARG 46 2.669 5.541 -10.133 359 HA ARG 46 HA ARG 46 3.393 8.137 -9.332 360 1HB ARG 46 1HB ARG 46 4.121 8.383 -11.745 361 2HB ARG 46 2HB ARG 46 4.851 7.065 -10.853 362 1HG ARG 46 1HG ARG 46 3.285 5.511 -11.899 363 2HG ARG 46 2HG ARG 46 2.601 6.849 -12.822 364 1HD ARG 46 1HD ARG 46 4.189 5.629 -14.174 365 2HD ARG 46 2HD ARG 46 4.790 7.251 -13.829 366 HE ARG 46 HE ARG 46 6.262 6.225 -12.163 367 1HH1 ARG 46 1HH1 ARG 46 4.825 4.142 -14.584 368 2HH1 ARG 46 2HH1 ARG 46 6.122 2.974 -14.525 369 1HH2 ARG 46 1HH2 ARG 46 7.989 4.708 -12.115 370 2HH2 ARG 46 2HH2 ARG 46 7.927 3.311 -13.147 371 H LYS 47 H LYS 47 0.863 6.960 -11.523 372 HA LYS 47 HA LYS 47 -0.081 9.456 -12.377 373 1HB LYS 47 1HB LYS 47 -1.622 6.902 -11.891 374 2HB LYS 47 2HB LYS 47 -2.261 8.303 -12.737 375 1HG LYS 47 1HG LYS 47 -0.431 8.047 -14.401 376 2HG LYS 47 2HG LYS 47 0.023 6.546 -13.593 377 1HD LYS 47 1HD LYS 47 -2.236 5.665 -14.008 378 2HD LYS 47 2HD LYS 47 -2.648 7.158 -14.854 379 1HE LYS 47 1HE LYS 47 -0.729 6.671 -16.409 380 2HE LYS 47 2HE LYS 47 -0.614 5.084 -15.650 381 1HZ LYS 47 1HZ LYS 47 -2.936 6.189 -17.139 382 2HZ LYS 47 2HZ LYS 47 -2.974 4.729 -16.280 383 3HZ LYS 47 3HZ LYS 47 -1.942 4.901 -17.613 384 H SER 48 H SER 48 -1.034 7.480 -9.588 385 HA SER 48 HA SER 48 -2.986 9.279 -8.625 386 1HB SER 48 1HB SER 48 -1.432 7.189 -7.085 387 2HB SER 48 2HB SER 48 -2.971 7.911 -6.619 388 HG SER 48 HG SER 48 -2.467 6.249 -8.867 389 H ASN 49 H ASN 49 0.464 9.092 -8.280 390 HA ASN 49 HA ASN 49 0.736 10.701 -5.973 391 1HB ASN 49 1HB ASN 49 2.621 9.405 -6.734 392 2HB ASN 49 2HB ASN 49 2.604 10.203 -8.304 393 1HD2 ASN 49 1HD2 ASN 49 3.681 12.077 -8.567 394 2HD2 ASN 49 2HD2 ASN 49 4.556 12.890 -7.311 395 H ALA 50 H ALA 50 0.432 11.429 -9.395 396 HA ALA 50 HA ALA 50 0.706 14.280 -8.969 397 1HB ALA 50 1HB ALA 50 0.244 14.462 -11.369 398 2HB ALA 50 2HB ALA 50 -0.101 12.732 -11.429 399 3HB ALA 50 3HB ALA 50 1.524 13.295 -11.037 400 H GLU 51 H GLU 51 -1.802 11.985 -8.783 401 HA GLU 51 HA GLU 51 -3.933 13.820 -9.441 402 1HB GLU 51 1HB GLU 51 -3.971 11.025 -8.300 403 2HB GLU 51 2HB GLU 51 -5.418 11.952 -8.660 404 1HG GLU 51 1HG GLU 51 -3.324 11.097 -10.646 405 2HG GLU 51 2HG GLU 51 -4.917 10.370 -10.432 406 H LEU 52 H LEU 52 -2.493 12.478 -6.500 407 HA LEU 52 HA LEU 52 -4.241 14.244 -4.937 408 1HB LEU 52 1HB LEU 52 -4.387 12.413 -3.226 409 2HB LEU 52 2HB LEU 52 -5.284 12.154 -4.709 410 HG LEU 52 HG LEU 52 -3.387 10.688 -5.487 411 1HD1 LEU 52 1HD1 LEU 52 -1.882 9.771 -3.824 412 2HD1 LEU 52 2HD1 LEU 52 -2.554 10.843 -2.594 413 3HD1 LEU 52 3HD1 LEU 52 -1.659 11.518 -3.957 414 1HD2 LEU 52 1HD2 LEU 52 -4.124 8.787 -4.179 415 2HD2 LEU 52 2HD2 LEU 52 -5.490 9.822 -4.613 416 3HD2 LEU 52 3HD2 LEU 52 -4.829 9.873 -2.979 417 H GLY 53 H GLY 53 -3.488 13.966 -2.481 418 1HA GLY 53 1HA GLY 53 -0.556 14.286 -2.456 419 2HA GLY 53 2HA GLY 53 -1.637 15.282 -1.490 420 H ARG 54 H ARG 54 -3.028 14.065 0.098 421 HA ARG 54 HA ARG 54 -1.353 11.992 1.351 422 1HB ARG 54 1HB ARG 54 -1.834 14.331 2.438 423 2HB ARG 54 2HB ARG 54 -3.373 13.597 2.870 424 1HG ARG 54 1HG ARG 54 -1.708 13.439 4.667 425 2HG ARG 54 2HG ARG 54 -2.235 11.850 4.097 426 1HD ARG 54 1HD ARG 54 -0.243 11.498 2.908 427 2HD ARG 54 2HD ARG 54 0.209 13.198 2.999 428 HE ARG 54 HE ARG 54 0.037 11.849 5.553 429 1HH1 ARG 54 1HH1 ARG 54 2.055 12.638 2.803 430 2HH1 ARG 54 2HH1 ARG 54 3.544 12.561 3.704 431 1HH2 ARG 54 1HH2 ARG 54 2.005 11.749 6.746 432 2HH2 ARG 54 2HH2 ARG 54 3.510 12.095 5.944 433 H LEU 55 H LEU 55 -4.056 12.202 -0.410 434 HA LEU 55 HA LEU 55 -5.729 10.460 1.212 435 1HB LEU 55 1HB LEU 55 -6.165 11.754 -1.479 436 2HB LEU 55 2HB LEU 55 -7.290 10.609 -0.780 437 HG LEU 55 HG LEU 55 -8.162 12.775 -0.376 438 1HD1 LEU 55 1HD1 LEU 55 -8.388 11.245 1.488 439 2HD1 LEU 55 2HD1 LEU 55 -8.210 12.903 2.063 440 3HD1 LEU 55 3HD1 LEU 55 -6.845 11.788 2.147 441 1HD2 LEU 55 1HD2 LEU 55 -6.153 14.090 -0.746 442 2HD2 LEU 55 2HD2 LEU 55 -5.481 13.524 0.783 443 3HD2 LEU 55 3HD2 LEU 55 -6.920 14.543 0.776 444 H GLY 56 H GLY 56 -6.808 8.618 -0.122 445 1HA GLY 56 1HA GLY 56 -4.633 7.150 -1.467 446 2HA GLY 56 2HA GLY 56 -5.927 6.395 -0.545 447 H TYR 57 H TYR 57 -4.844 6.648 -3.517 448 HA TYR 57 HA TYR 57 -7.457 6.991 -4.821 449 1HB TYR 57 1HB TYR 57 -5.340 8.212 -5.618 450 2HB TYR 57 2HB TYR 57 -4.780 6.646 -6.176 451 HD1 TYR 57 HD1 TYR 57 -7.244 9.318 -6.683 452 HD2 TYR 57 HD2 TYR 57 -5.704 5.640 -8.163 453 HE1 TYR 57 HE1 TYR 57 -8.416 9.692 -8.811 454 HE2 TYR 57 HE2 TYR 57 -6.875 6.000 -10.295 455 HH TYR 57 HH TYR 57 -8.226 8.990 -11.162 456 H SER 58 H SER 58 -8.499 5.238 -5.670 457 HA SER 58 HA SER 58 -7.540 2.633 -5.106 458 1HB SER 58 1HB SER 58 -9.512 2.001 -6.668 459 2HB SER 58 2HB SER 58 -9.878 2.831 -5.155 460 HG SER 58 HG SER 58 -9.910 3.820 -7.789 461 H VAL 59 H VAL 59 -5.844 1.818 -6.087 462 HA VAL 59 HA VAL 59 -5.319 2.503 -8.884 463 HB VAL 59 HB VAL 59 -3.049 1.648 -8.504 464 1HG1 VAL 59 1HG1 VAL 59 -3.592 4.005 -8.064 465 2HG1 VAL 59 2HG1 VAL 59 -2.283 3.411 -7.041 466 3HG1 VAL 59 3HG1 VAL 59 -3.906 3.600 -6.375 467 1HG2 VAL 59 1HG2 VAL 59 -3.964 1.190 -5.663 468 2HG2 VAL 59 2HG2 VAL 59 -2.306 1.048 -6.248 469 3HG2 VAL 59 3HG2 VAL 59 -3.546 -0.063 -6.833 470 H TYR 60 H TYR 60 -5.984 -0.195 -6.773 471 HA TYR 60 HA TYR 60 -6.273 -1.885 -9.154 472 1HB TYR 60 1HB TYR 60 -4.150 -2.498 -8.092 473 2HB TYR 60 2HB TYR 60 -4.968 -2.714 -6.550 474 HD1 TYR 60 HD1 TYR 60 -6.081 -4.748 -6.032 475 HD2 TYR 60 HD2 TYR 60 -4.630 -4.077 -9.974 476 HE1 TYR 60 HE1 TYR 60 -6.497 -7.105 -6.581 477 HE2 TYR 60 HE2 TYR 60 -5.043 -6.436 -10.533 478 HH TYR 60 HH TYR 60 -6.942 -8.463 -8.644 479 H GLU 61 H GLU 61 -8.420 -2.091 -9.238 480 HA GLU 61 HA GLU 61 -9.846 -2.712 -6.745 481 1HB GLU 61 1HB GLU 61 -10.667 -0.757 -8.014 482 2HB GLU 61 2HB GLU 61 -10.969 -1.794 -9.401 483 1HG GLU 61 1HG GLU 61 -12.647 -3.012 -8.160 484 2HG GLU 61 2HG GLU 61 -12.293 -2.072 -6.712 485 H ASP 62 H ASP 62 -10.106 -4.785 -6.415 486 HA ASP 62 HA ASP 62 -10.400 -6.578 -8.728 487 1HB ASP 62 1HB ASP 62 -8.401 -6.873 -7.150 488 2HB ASP 62 2HB ASP 62 -9.566 -7.365 -5.927 489 H ALA 63 H ALA 63 -11.798 -8.549 -8.148 490 HA ALA 63 HA ALA 63 -14.305 -7.595 -7.202 491 1HB ALA 63 1HB ALA 63 -15.083 -9.903 -7.557 492 2HB ALA 63 2HB ALA 63 -13.415 -10.412 -7.831 493 3HB ALA 63 3HB ALA 63 -14.190 -9.286 -8.947 494 H GLN 64 H GLN 64 -11.561 -8.772 -5.681 495 HA GLN 64 HA GLN 64 -13.036 -9.633 -3.296 496 1HB GLN 64 1HB GLN 64 -10.076 -9.842 -3.849 497 2HB GLN 64 2HB GLN 64 -10.972 -10.629 -2.555 498 1HG GLN 64 1HG GLN 64 -12.118 -12.033 -4.114 499 2HG GLN 64 2HG GLN 64 -11.426 -11.156 -5.478 500 1HE2 GLN 64 1HE2 GLN 64 -9.225 -11.388 -5.934 501 2HE2 GLN 64 2HE2 GLN 64 -8.332 -12.766 -5.380 502 H TYR 65 H TYR 65 -10.133 -7.678 -4.072 503 HA TYR 65 HA TYR 65 -10.760 -5.994 -1.738 504 1HB TYR 65 1HB TYR 65 -7.990 -6.929 -2.523 505 2HB TYR 65 2HB TYR 65 -8.409 -5.948 -1.127 506 HD1 TYR 65 HD1 TYR 65 -9.597 -6.958 0.789 507 HD2 TYR 65 HD2 TYR 65 -8.268 -9.308 -2.497 508 HE1 TYR 65 HE1 TYR 65 -9.875 -8.993 2.140 509 HE2 TYR 65 HE2 TYR 65 -8.543 -11.350 -1.156 510 HH TYR 65 HH TYR 65 -8.580 -11.985 1.252 511 H ILE 66 H ILE 66 -9.507 -3.900 -1.773 512 HA ILE 66 HA ILE 66 -8.988 -2.986 -4.523 513 HB ILE 66 HB ILE 66 -10.534 -1.463 -2.414 514 1HG1 ILE 66 1HG1 ILE 66 -11.388 -2.499 -5.128 515 2HG1 ILE 66 2HG1 ILE 66 -11.836 -3.209 -3.582 516 1HG2 ILE 66 1HG2 ILE 66 -9.672 -0.620 -5.180 517 2HG2 ILE 66 2HG2 ILE 66 -9.086 0.037 -3.651 518 3HG2 ILE 66 3HG2 ILE 66 -10.765 0.286 -4.134 519 1HD1 ILE 66 1HD1 ILE 66 -12.577 -0.454 -4.543 520 2HD1 ILE 66 2HD1 ILE 66 -13.027 -1.159 -2.991 521 3HD1 ILE 66 3HD1 ILE 66 -13.639 -1.861 -4.489 522 H GLY 67 H GLY 67 -7.086 -2.051 -4.745 523 1HA GLY 67 1HA GLY 67 -5.531 -1.403 -2.347 524 2HA GLY 67 2HA GLY 67 -4.898 -1.592 -3.977 525 H HIS 68 H HIS 68 -4.682 0.576 -1.917 526 HA HIS 68 HA HIS 68 -5.537 2.817 -3.632 527 1HB HIS 68 1HB HIS 68 -5.400 3.036 -0.624 528 2HB HIS 68 2HB HIS 68 -6.175 4.128 -1.759 529 HD1 HIS 68 HD1 HIS 68 -8.641 3.735 -2.238 530 HD2 HIS 68 HD2 HIS 68 -6.860 0.617 -0.127 531 HE1 HIS 68 HE1 HIS 68 -10.522 2.220 -1.533 532 HE2 HIS 68 HE2 HIS 68 -9.431 0.409 -0.154 533 H ALA 69 H ALA 69 -3.859 4.086 -4.229 534 HA ALA 69 HA ALA 69 -1.251 3.606 -3.066 535 1HB ALA 69 1HB ALA 69 -0.435 5.225 -4.734 536 2HB ALA 69 2HB ALA 69 -2.102 5.526 -5.227 537 3HB ALA 69 3HB ALA 69 -1.388 3.928 -5.457 538 H PHE 70 H PHE 70 -0.424 4.646 -1.418 539 HA PHE 70 HA PHE 70 -1.388 7.368 -0.848 540 1HB PHE 70 1HB PHE 70 -0.512 5.157 0.997 541 2HB PHE 70 2HB PHE 70 -0.519 6.841 1.516 542 HD1 PHE 70 HD1 PHE 70 -2.548 8.003 1.947 543 HD2 PHE 70 HD2 PHE 70 -2.609 4.004 0.490 544 HE1 PHE 70 HE1 PHE 70 -4.933 7.836 2.515 545 HE2 PHE 70 HE2 PHE 70 -4.994 3.831 1.055 546 HZ PHE 70 HZ PHE 70 -6.158 5.750 2.070 547 H LYS 71 H LYS 71 0.064 8.956 -0.572 548 HA LYS 71 HA LYS 71 2.831 8.425 -1.206 549 1HB LYS 71 1HB LYS 71 1.171 10.870 -0.807 550 2HB LYS 71 2HB LYS 71 2.905 11.010 -0.556 551 1HG LYS 71 1HG LYS 71 2.541 11.661 -2.768 552 2HG LYS 71 2HG LYS 71 3.170 10.020 -2.877 553 1HD LYS 71 1HD LYS 71 0.221 10.400 -2.780 554 2HD LYS 71 2HD LYS 71 1.068 10.799 -4.274 555 1HE LYS 71 1HE LYS 71 1.979 8.559 -4.394 556 2HE LYS 71 2HE LYS 71 1.247 8.150 -2.843 557 1HZ LYS 71 1HZ LYS 71 -0.022 7.336 -4.775 558 2HZ LYS 71 2HZ LYS 71 -0.284 8.936 -5.260 559 3HZ LYS 71 3HZ LYS 71 -0.922 8.381 -3.795 560 H LYS 72 H LYS 72 4.369 8.059 0.215 561 HA LYS 72 HA LYS 72 3.794 8.523 3.069 562 1HB LYS 72 1HB LYS 72 5.698 6.503 1.861 563 2HB LYS 72 2HB LYS 72 5.258 6.648 3.557 564 1HG LYS 72 1HG LYS 72 3.294 5.977 1.383 565 2HG LYS 72 2HG LYS 72 4.169 4.768 2.323 566 1HD LYS 72 1HD LYS 72 2.330 6.870 3.469 567 2HD LYS 72 2HD LYS 72 1.895 5.184 3.185 568 1HE LYS 72 1HE LYS 72 3.801 4.548 4.698 569 2HE LYS 72 2HE LYS 72 3.957 6.257 5.100 570 1HZ LYS 72 1HZ LYS 72 1.591 6.186 5.819 571 2HZ LYS 72 2HZ LYS 72 2.631 5.235 6.763 572 3HZ LYS 72 3HZ LYS 72 1.624 4.499 5.613 573 H ALA 73 H ALA 73 6.136 8.465 4.246 574 HA ALA 73 HA ALA 73 7.392 10.879 3.562 575 1HB ALA 73 1HB ALA 73 7.426 9.991 5.820 576 2HB ALA 73 2HB ALA 73 9.069 10.266 5.237 577 3HB ALA 73 3HB ALA 73 8.413 8.630 5.287 578 H GLY 74 H GLY 74 8.062 10.874 1.442 579 1HA GLY 74 1HA GLY 74 9.664 10.731 -0.196 580 2HA GLY 74 2HA GLY 74 10.690 9.899 0.960 581 H HIS 75 H HIS 75 7.709 8.349 0.665 582 HA HIS 75 HA HIS 75 8.676 6.550 -1.421 583 1HB HIS 75 1HB HIS 75 8.226 5.764 1.448 584 2HB HIS 75 2HB HIS 75 8.135 4.582 0.142 585 HD1 HIS 75 HD1 HIS 75 10.432 5.565 2.562 586 HD2 HIS 75 HD2 HIS 75 10.713 5.069 -1.554 587 HE1 HIS 75 HE1 HIS 75 12.879 5.247 2.081 588 HE2 HIS 75 HE2 HIS 75 13.035 5.210 -0.436 589 H PHE 76 H PHE 76 6.981 4.669 -1.655 590 HA PHE 76 HA PHE 76 4.300 5.882 -1.529 591 1HB PHE 76 1HB PHE 76 5.487 4.386 -3.877 592 2HB PHE 76 2HB PHE 76 3.857 5.051 -3.792 593 HD1 PHE 76 HD1 PHE 76 7.267 5.678 -4.630 594 HD2 PHE 76 HD2 PHE 76 3.612 7.565 -3.552 595 HE1 PHE 76 HE1 PHE 76 8.103 7.802 -5.538 596 HE2 PHE 76 HE2 PHE 76 4.437 9.694 -4.460 597 HZ PHE 76 HZ PHE 76 6.689 9.816 -5.457 598 H ILE 77 H ILE 77 2.765 4.540 -0.725 599 HA ILE 77 HA ILE 77 3.322 1.656 -0.812 600 HB ILE 77 HB ILE 77 2.335 3.176 1.607 601 1HG1 ILE 77 1HG1 ILE 77 4.878 1.619 1.087 602 2HG1 ILE 77 2HG1 ILE 77 4.742 3.360 1.292 603 1HG2 ILE 77 1HG2 ILE 77 2.361 0.975 2.740 604 2HG2 ILE 77 2HG2 ILE 77 2.673 0.206 1.183 605 3HG2 ILE 77 3HG2 ILE 77 1.161 1.074 1.452 606 1HD1 ILE 77 1HD1 ILE 77 4.180 1.285 3.398 607 2HD1 ILE 77 2HD1 ILE 77 4.025 3.031 3.603 608 3HD1 ILE 77 3HD1 ILE 77 5.608 2.316 3.296 609 H VAL 78 H VAL 78 1.648 0.412 -1.338 610 HA VAL 78 HA VAL 78 -0.952 1.722 -1.751 611 HB VAL 78 HB VAL 78 0.109 -0.843 -2.951 612 1HG1 VAL 78 1HG1 VAL 78 -2.430 0.682 -3.530 613 2HG1 VAL 78 2HG1 VAL 78 -2.318 -0.878 -2.713 614 3HG1 VAL 78 3HG1 VAL 78 -1.856 -0.735 -4.410 615 1HG2 VAL 78 1HG2 VAL 78 -0.275 1.879 -4.188 616 2HG2 VAL 78 2HG2 VAL 78 0.241 0.421 -5.035 617 3HG2 VAL 78 3HG2 VAL 78 1.271 1.129 -3.789 618 H TYR 79 H TYR 79 -2.347 1.374 -0.172 619 HA TYR 79 HA TYR 79 -2.165 -1.052 1.432 620 1HB TYR 79 1HB TYR 79 -3.774 1.483 1.771 621 2HB TYR 79 2HB TYR 79 -3.824 0.121 2.878 622 HD1 TYR 79 HD1 TYR 79 -2.136 -0.183 4.528 623 HD2 TYR 79 HD2 TYR 79 -1.653 2.792 1.526 624 HE1 TYR 79 HE1 TYR 79 -0.226 0.749 5.764 625 HE2 TYR 79 HE2 TYR 79 0.260 3.727 2.751 626 HH TYR 79 HH TYR 79 1.781 2.106 5.318 627 H PHE 80 H PHE 80 -3.529 -2.699 1.213 628 HA PHE 80 HA PHE 80 -5.733 -2.436 -0.701 629 1HB PHE 80 1HB PHE 80 -4.212 -4.819 0.356 630 2HB PHE 80 2HB PHE 80 -5.653 -4.964 -0.635 631 HD1 PHE 80 HD1 PHE 80 -5.580 -4.626 -2.982 632 HD2 PHE 80 HD2 PHE 80 -2.153 -3.831 -0.587 633 HE1 PHE 80 HE1 PHE 80 -4.202 -4.465 -5.014 634 HE2 PHE 80 HE2 PHE 80 -0.769 -3.668 -2.615 635 HZ PHE 80 HZ PHE 80 -1.793 -3.986 -4.833 636 H THR 81 H THR 81 -7.739 -2.334 0.035 637 HA THR 81 HA THR 81 -8.301 -3.388 2.726 638 HB THR 81 HB THR 81 -10.148 -1.757 2.832 639 HG1 THR 81 HG1 THR 81 -10.737 -0.694 1.113 640 1HG2 THR 81 1HG2 THR 81 -8.770 0.278 3.033 641 2HG2 THR 81 2HG2 THR 81 -7.456 -0.555 2.202 642 3HG2 THR 81 3HG2 THR 81 -8.006 -1.128 3.777 643 HA PRO 82 HA PRO 82 -11.201 -6.212 0.973 644 1HB PRO 82 1HB PRO 82 -13.163 -6.332 2.833 645 2HB PRO 82 2HB PRO 82 -11.545 -6.991 3.112 646 1HG PRO 82 1HG PRO 82 -12.707 -4.379 4.006 647 2HG PRO 82 2HG PRO 82 -11.710 -5.530 4.915 648 1HD PRO 82 1HD PRO 82 -10.705 -3.272 3.788 649 2HD PRO 82 2HD PRO 82 -9.753 -4.757 3.988 650 H LYS 83 H LYS 83 -11.490 -4.054 -0.445 651 HA LYS 83 HA LYS 83 -12.846 -3.192 -2.011 652 1HB LYS 83 1HB LYS 83 -13.896 -5.713 -1.431 653 2HB LYS 83 2HB LYS 83 -15.286 -4.633 -1.502 654 1HG LYS 83 1HG LYS 83 -14.457 -3.800 -3.686 655 2HG LYS 83 2HG LYS 83 -13.187 -5.024 -3.609 656 1HD LYS 83 1HD LYS 83 -14.715 -6.785 -3.824 657 2HD LYS 83 2HD LYS 83 -16.090 -5.762 -3.396 658 1HE LYS 83 1HE LYS 83 -14.434 -5.335 -5.875 659 2HE LYS 83 2HE LYS 83 -15.869 -6.361 -5.847 660 1HZ LYS 83 1HZ LYS 83 -17.231 -4.527 -5.339 661 2HZ LYS 83 2HZ LYS 83 -16.210 -3.992 -6.582 662 3HZ LYS 83 3HZ LYS 83 -15.914 -3.527 -4.980 663 H ASN 84 H ASN 84 -13.113 -2.295 0.946 664 HA ASN 84 HA ASN 84 -15.682 -0.990 0.823 665 1HB ASN 84 1HB ASN 84 -14.769 0.303 2.850 666 2HB ASN 84 2HB ASN 84 -15.065 -1.419 3.045 667 1HD2 ASN 84 1HD2 ASN 84 -13.638 -1.399 4.828 668 2HD2 ASN 84 2HD2 ASN 84 -11.925 -1.383 4.590 669 H LYS 85 H LYS 85 -15.423 -0.047 -1.212 670 HA LYS 85 HA LYS 85 -13.485 1.834 -1.954 671 1HB LYS 85 1HB LYS 85 -15.247 0.707 -3.408 672 2HB LYS 85 2HB LYS 85 -16.397 1.869 -2.767 673 1HG LYS 85 1HG LYS 85 -15.621 2.576 -4.933 674 2HG LYS 85 2HG LYS 85 -15.045 3.695 -3.697 675 1HD LYS 85 1HD LYS 85 -12.852 2.845 -3.801 676 2HD LYS 85 2HD LYS 85 -13.367 1.408 -4.688 677 1HE LYS 85 1HE LYS 85 -13.512 4.221 -5.755 678 2HE LYS 85 2HE LYS 85 -12.201 3.091 -6.093 679 1HZ LYS 85 1HZ LYS 85 -13.812 1.587 -7.109 680 2HZ LYS 85 2HZ LYS 85 -13.825 3.100 -7.875 681 3HZ LYS 85 3HZ LYS 85 -15.067 2.689 -6.795 682 H ASN 86 H ASN 86 -16.652 2.197 -0.471 683 HA ASN 86 HA ASN 86 -15.751 4.171 1.335 684 1HB ASN 86 1HB ASN 86 -17.395 5.969 0.630 685 2HB ASN 86 2HB ASN 86 -15.982 5.792 -0.398 686 1HD2 ASN 86 1HD2 ASN 86 -19.414 5.482 -0.169 687 2HD2 ASN 86 2HD2 ASN 86 -19.712 5.220 -1.853 688 H ARG 87 H ARG 87 -16.512 2.665 2.768 689 HA ARG 87 HA ARG 87 -19.046 1.421 2.527 690 1HB ARG 87 1HB ARG 87 -17.146 0.417 3.748 691 2HB ARG 87 2HB ARG 87 -17.284 1.672 4.970 692 1HG ARG 87 1HG ARG 87 -18.328 -0.242 5.856 693 2HG ARG 87 2HG ARG 87 -19.626 0.857 5.390 694 1HD ARG 87 1HD ARG 87 -18.646 -1.462 3.725 695 2HD ARG 87 2HD ARG 87 -20.054 -1.512 4.780 696 HE ARG 87 HE ARG 87 -19.836 0.229 2.403 697 1HH1 ARG 87 1HH1 ARG 87 -21.706 -1.741 4.603 698 2HH1 ARG 87 2HH1 ARG 87 -23.186 -1.565 3.709 699 1HH2 ARG 87 1HH2 ARG 87 -21.765 0.455 1.216 700 2HH2 ARG 87 2HH2 ARG 87 -23.218 -0.329 1.770 701 H GLU 88 H GLU 88 -17.864 3.846 4.854 702 HA GLU 88 HA GLU 88 -20.565 4.546 5.588 703 1HB GLU 88 1HB GLU 88 -18.071 6.095 6.276 704 2HB GLU 88 2HB GLU 88 -19.600 6.071 7.139 705 1HG GLU 88 1HG GLU 88 -18.405 4.730 8.511 706 2HG GLU 88 2HG GLU 88 -18.989 3.504 7.385 707 H GLY 89 H GLY 89 -21.384 6.764 5.375 708 1HA GLY 89 1HA GLY 89 -20.788 7.794 2.707 709 2HA GLY 89 2HA GLY 89 -22.151 8.248 3.720 710 H VAL 90 H VAL 90 -18.673 8.238 4.370 711 HA VAL 90 HA VAL 90 -18.940 10.952 5.424 712 HB VAL 90 HB VAL 90 -16.732 10.569 6.458 713 1HG1 VAL 90 1HG1 VAL 90 -18.756 10.015 7.694 714 2HG1 VAL 90 2HG1 VAL 90 -17.453 8.896 8.098 715 3HG1 VAL 90 3HG1 VAL 90 -18.746 8.391 7.008 716 1HG2 VAL 90 1HG2 VAL 90 -16.957 7.789 5.296 717 2HG2 VAL 90 2HG2 VAL 90 -15.713 8.345 6.417 718 3HG2 VAL 90 3HG2 VAL 90 -15.808 9.027 4.793 719 H VAL 91 H VAL 91 -17.640 12.639 4.774 720 HA VAL 91 HA VAL 91 -15.926 12.156 2.438 721 HB VAL 91 HB VAL 91 -16.635 14.459 1.597 722 1HG1 VAL 91 1HG1 VAL 91 -18.616 13.558 0.447 723 2HG1 VAL 91 2HG1 VAL 91 -18.634 12.201 1.573 724 3HG1 VAL 91 3HG1 VAL 91 -17.276 12.412 0.469 725 1HG2 VAL 91 1HG2 VAL 91 -18.885 15.206 2.226 726 2HG2 VAL 91 2HG2 VAL 91 -17.785 15.235 3.605 727 3HG2 VAL 91 3HG2 VAL 91 -18.965 13.934 3.443 728 HA PRO 92 HA PRO 92 -13.286 14.432 5.311 729 1HB PRO 92 1HB PRO 92 -10.994 13.277 4.560 730 2HB PRO 92 2HB PRO 92 -12.167 12.406 5.557 731 1HG PRO 92 1HG PRO 92 -11.657 12.205 2.615 732 2HG PRO 92 2HG PRO 92 -11.963 10.911 3.787 733 1HD PRO 92 1HD PRO 92 -13.866 11.975 2.101 734 2HD PRO 92 2HD PRO 92 -14.226 11.155 3.631 735 HA PRO 93 HA PRO 93 -11.442 17.531 2.627 736 1HB PRO 93 1HB PRO 93 -8.769 17.031 3.800 737 2HB PRO 93 2HB PRO 93 -9.709 18.524 3.747 738 1HG PRO 93 1HG PRO 93 -9.419 17.154 6.022 739 2HG PRO 93 2HG PRO 93 -10.943 17.969 5.624 740 1HD PRO 93 1HD PRO 93 -10.240 15.066 5.437 741 2HD PRO 93 2HD PRO 93 -11.751 15.829 5.975 742 H VAL 94 H VAL 94 -11.439 16.750 0.590 743 HA VAL 94 HA VAL 94 -9.697 14.583 -0.184 744 HB VAL 94 HB VAL 94 -10.788 14.773 -2.374 745 1HG1 VAL 94 1HG1 VAL 94 -13.061 14.163 -1.661 746 2HG1 VAL 94 2HG1 VAL 94 -12.695 14.765 -0.046 747 3HG1 VAL 94 3HG1 VAL 94 -11.818 13.377 -0.688 748 1HG2 VAL 94 1HG2 VAL 94 -11.122 17.176 -2.467 749 2HG2 VAL 94 2HG2 VAL 94 -12.289 17.078 -1.149 750 3HG2 VAL 94 3HG2 VAL 94 -12.654 16.334 -2.705 751 H GLY 95 H GLY 95 -9.565 17.959 -0.087 752 1HA GLY 95 1HA GLY 95 -6.952 17.977 -1.259 753 2HA GLY 95 2HA GLY 95 -8.147 18.751 -2.289 754 H ILE 96 H ILE 96 -6.025 19.168 0.284 755 HA ILE 96 HA ILE 96 -7.348 21.630 1.158 756 HB ILE 96 HB ILE 96 -5.609 21.718 2.924 757 1HG1 ILE 96 1HG1 ILE 96 -4.799 18.993 1.881 758 2HG1 ILE 96 2HG1 ILE 96 -3.853 20.465 1.680 759 1HG2 ILE 96 1HG2 ILE 96 -6.467 19.817 4.230 760 2HG2 ILE 96 2HG2 ILE 96 -7.174 19.146 2.760 761 3HG2 ILE 96 3HG2 ILE 96 -7.749 20.690 3.391 762 1HD1 ILE 96 1HD1 ILE 96 -2.994 19.095 3.493 763 2HD1 ILE 96 2HD1 ILE 96 -4.560 19.163 4.301 764 3HD1 ILE 96 3HD1 ILE 96 -3.607 20.632 4.102 765 H THR 97 H THR 97 -4.497 20.444 -0.483 766 HA THR 97 HA THR 97 -3.444 23.144 -0.794 767 HB THR 97 HB THR 97 -2.239 20.560 -1.799 768 HG1 THR 97 HG1 THR 97 -1.538 21.940 0.600 769 1HG2 THR 97 1HG2 THR 97 -1.032 23.275 -1.257 770 2HG2 THR 97 2HG2 THR 97 -1.356 22.585 -2.847 771 3HG2 THR 97 3HG2 THR 97 -0.148 21.848 -1.796 772 H ASN 98 H ASN 98 -5.043 23.969 -2.214 773 HA ASN 98 HA ASN 98 -4.897 22.854 -4.937 774 1HB ASN 98 1HB ASN 98 -7.176 24.418 -3.697 775 2HB ASN 98 2HB ASN 98 -7.108 23.872 -5.368 776 1HD2 ASN 98 1HD2 ASN 98 -7.246 21.635 -5.807 777 2HD2 ASN 98 2HD2 ASN 98 -7.947 20.543 -4.653 Start of MODEL 17 1 H MET 1 H MET 1 -18.410 12.278 -3.430 2 HA MET 1 HA MET 1 -18.283 11.295 -5.575 3 1HB MET 1 1HB MET 1 -19.163 13.376 -6.723 4 2HB MET 1 2HB MET 1 -17.540 14.038 -6.615 5 1HG MET 1 1HG MET 1 -18.082 13.052 -8.816 6 2HG MET 1 2HG MET 1 -16.674 12.330 -8.038 7 1HE MET 1 1HE MET 1 -18.312 9.334 -10.008 8 2HE MET 1 2HE MET 1 -16.849 10.292 -9.784 9 3HE MET 1 3HE MET 1 -18.279 11.026 -10.506 10 H LYS 2 H LYS 2 -16.180 10.899 -6.773 11 HA LYS 2 HA LYS 2 -13.936 10.603 -6.884 12 1HB LYS 2 1HB LYS 2 -13.643 13.010 -6.725 13 2HB LYS 2 2HB LYS 2 -13.790 12.945 -4.977 14 1HG LYS 2 1HG LYS 2 -11.478 13.198 -5.589 15 2HG LYS 2 2HG LYS 2 -11.725 11.600 -4.884 16 1HD LYS 2 1HD LYS 2 -10.298 11.413 -6.824 17 2HD LYS 2 2HD LYS 2 -11.854 10.654 -7.163 18 1HE LYS 2 1HE LYS 2 -12.572 12.667 -8.355 19 2HE LYS 2 2HE LYS 2 -11.012 13.420 -8.024 20 1HZ LYS 2 1HZ LYS 2 -9.918 11.799 -9.369 21 2HZ LYS 2 2HZ LYS 2 -11.209 12.430 -10.273 22 3HZ LYS 2 3HZ LYS 2 -11.341 10.897 -9.558 23 H SER 3 H SER 3 -13.327 8.737 -6.093 24 HA SER 3 HA SER 3 -13.737 8.089 -3.302 25 1HB SER 3 1HB SER 3 -14.197 6.449 -5.123 26 2HB SER 3 2HB SER 3 -12.474 6.415 -5.487 27 HG SER 3 HG SER 3 -13.395 5.879 -2.880 28 H SER 4 H SER 4 -12.279 9.643 -2.409 29 HA SER 4 HA SER 4 -9.546 8.573 -2.307 30 1HB SER 4 1HB SER 4 -10.309 11.503 -2.298 31 2HB SER 4 2HB SER 4 -8.678 10.870 -2.068 32 HG SER 4 HG SER 4 -9.752 9.817 -4.290 33 H ILE 5 H ILE 5 -9.010 7.973 -0.304 34 HA ILE 5 HA ILE 5 -10.375 9.253 1.973 35 HB ILE 5 HB ILE 5 -9.798 6.295 1.671 36 1HG1 ILE 5 1HG1 ILE 5 -12.429 7.791 1.730 37 2HG1 ILE 5 2HG1 ILE 5 -11.702 7.059 0.306 38 1HG2 ILE 5 1HG2 ILE 5 -9.552 7.053 3.981 39 2HG2 ILE 5 2HG2 ILE 5 -10.973 6.025 3.792 40 3HG2 ILE 5 3HG2 ILE 5 -11.163 7.773 3.919 41 1HD1 ILE 5 1HD1 ILE 5 -11.937 4.854 1.314 42 2HD1 ILE 5 2HD1 ILE 5 -13.488 5.685 1.204 43 3HD1 ILE 5 3HD1 ILE 5 -12.650 5.585 2.752 44 HA PRO 6 HA PRO 6 -6.221 9.912 3.409 45 1HB PRO 6 1HB PRO 6 -6.766 10.295 6.057 46 2HB PRO 6 2HB PRO 6 -7.024 11.524 4.814 47 1HG PRO 6 1HG PRO 6 -8.994 9.649 6.065 48 2HG PRO 6 2HG PRO 6 -9.172 11.374 5.689 49 1HD PRO 6 1HD PRO 6 -10.224 9.466 4.113 50 2HD PRO 6 2HD PRO 6 -9.562 10.973 3.448 51 H ILE 7 H ILE 7 -4.602 8.977 4.728 52 HA ILE 7 HA ILE 7 -4.753 6.164 4.801 53 HB ILE 7 HB ILE 7 -2.659 7.379 4.395 54 1HG1 ILE 7 1HG1 ILE 7 -1.187 5.972 5.801 55 2HG1 ILE 7 2HG1 ILE 7 -2.567 5.566 6.816 56 1HG2 ILE 7 1HG2 ILE 7 -2.805 8.094 7.318 57 2HG2 ILE 7 2HG2 ILE 7 -2.932 9.206 5.956 58 3HG2 ILE 7 3HG2 ILE 7 -1.413 8.364 6.265 59 1HD1 ILE 7 1HD1 ILE 7 -3.649 4.515 4.880 60 2HD1 ILE 7 2HD1 ILE 7 -2.097 3.774 5.272 61 3HD1 ILE 7 3HD1 ILE 7 -2.224 4.884 3.907 62 H THR 8 H THR 8 -5.404 8.576 7.213 63 HA THR 8 HA THR 8 -4.941 7.067 9.529 64 HB THR 8 HB THR 8 -5.255 9.485 9.618 65 HG1 THR 8 HG1 THR 8 -7.186 7.991 11.100 66 1HG2 THR 8 1HG2 THR 8 -8.142 8.920 8.942 67 2HG2 THR 8 2HG2 THR 8 -6.973 9.741 7.908 68 3HG2 THR 8 3HG2 THR 8 -7.488 10.487 9.420 69 H GLU 9 H GLU 9 -7.487 6.904 7.210 70 HA GLU 9 HA GLU 9 -9.128 5.259 9.004 71 1HB GLU 9 1HB GLU 9 -9.801 6.221 6.217 72 2HB GLU 9 2HB GLU 9 -10.906 5.532 7.397 73 1HG GLU 9 1HG GLU 9 -9.468 8.158 7.715 74 2HG GLU 9 2HG GLU 9 -11.125 7.976 7.144 75 H VAL 10 H VAL 10 -7.475 5.224 5.877 76 HA VAL 10 HA VAL 10 -8.371 2.637 5.126 77 HB VAL 10 HB VAL 10 -6.046 4.259 4.082 78 1HG1 VAL 10 1HG1 VAL 10 -7.333 1.778 2.946 79 2HG1 VAL 10 2HG1 VAL 10 -5.684 1.923 3.560 80 3HG1 VAL 10 3HG1 VAL 10 -6.162 2.793 2.101 81 1HG2 VAL 10 1HG2 VAL 10 -8.879 3.903 3.118 82 2HG2 VAL 10 2HG2 VAL 10 -7.606 4.699 2.197 83 3HG2 VAL 10 3HG2 VAL 10 -8.140 5.381 3.733 84 H LEU 11 H LEU 11 -5.491 3.800 6.793 85 HA LEU 11 HA LEU 11 -3.879 1.565 6.610 86 1HB LEU 11 1HB LEU 11 -2.864 3.435 7.505 87 2HB LEU 11 2HB LEU 11 -4.171 3.744 8.627 88 HG LEU 11 HG LEU 11 -3.447 1.822 9.984 89 1HD1 LEU 11 1HD1 LEU 11 -1.135 1.698 8.058 90 2HD1 LEU 11 2HD1 LEU 11 -2.401 0.485 8.255 91 3HD1 LEU 11 3HD1 LEU 11 -1.269 0.800 9.569 92 1HD2 LEU 11 1HD2 LEU 11 -1.290 3.857 9.443 93 2HD2 LEU 11 2HD2 LEU 11 -1.441 2.868 10.895 94 3HD2 LEU 11 3HD2 LEU 11 -2.677 4.067 10.512 95 HA PRO 12 HA PRO 12 -5.740 -0.351 10.625 96 1HB PRO 12 1HB PRO 12 -8.137 0.643 11.496 97 2HB PRO 12 2HB PRO 12 -6.566 1.153 12.122 98 1HG PRO 12 1HG PRO 12 -8.313 2.469 10.087 99 2HG PRO 12 2HG PRO 12 -7.380 3.199 11.407 100 1HD PRO 12 1HD PRO 12 -6.520 3.242 8.859 101 2HD PRO 12 2HD PRO 12 -5.401 3.107 10.229 102 H ARG 13 H ARG 13 -7.894 0.811 8.078 103 HA ARG 13 HA ARG 13 -9.521 -1.598 8.277 104 1HB ARG 13 1HB ARG 13 -9.710 0.794 6.438 105 2HB ARG 13 2HB ARG 13 -10.868 -0.523 6.510 106 1HG ARG 13 1HG ARG 13 -11.430 0.032 8.788 107 2HG ARG 13 2HG ARG 13 -10.192 1.286 8.811 108 1HD ARG 13 1HD ARG 13 -11.431 2.381 6.910 109 2HD ARG 13 2HD ARG 13 -12.737 1.230 7.205 110 HE ARG 13 HE ARG 13 -12.358 2.278 9.645 111 1HH1 ARG 13 1HH1 ARG 13 -12.917 3.720 6.501 112 2HH1 ARG 13 2HH1 ARG 13 -13.534 5.207 7.159 113 1HH2 ARG 13 1HH2 ARG 13 -13.157 4.241 10.506 114 2HH2 ARG 13 2HH2 ARG 13 -13.643 5.509 9.421 115 H ALA 14 H ALA 14 -6.592 -1.185 7.135 116 HA ALA 14 HA ALA 14 -6.971 -2.417 4.518 117 1HB ALA 14 1HB ALA 14 -4.591 -2.093 4.194 118 2HB ALA 14 2HB ALA 14 -4.411 -1.573 5.869 119 3HB ALA 14 3HB ALA 14 -5.339 -0.591 4.736 120 H VAL 15 H VAL 15 -6.103 -4.390 3.937 121 HA VAL 15 HA VAL 15 -5.514 -6.204 6.186 122 HB VAL 15 HB VAL 15 -6.442 -8.025 4.757 123 1HG1 VAL 15 1HG1 VAL 15 -7.807 -6.988 6.496 124 2HG1 VAL 15 2HG1 VAL 15 -8.794 -7.452 5.109 125 3HG1 VAL 15 3HG1 VAL 15 -8.349 -5.763 5.348 126 1HG2 VAL 15 1HG2 VAL 15 -7.345 -5.744 3.003 127 2HG2 VAL 15 2HG2 VAL 15 -7.844 -7.427 2.837 128 3HG2 VAL 15 3HG2 VAL 15 -6.158 -6.977 2.578 129 H GLY 16 H GLY 16 -4.207 -4.713 3.501 130 1HA GLY 16 1HA GLY 16 -1.860 -6.410 3.650 131 2HA GLY 16 2HA GLY 16 -2.674 -6.409 2.090 132 H SER 17 H SER 17 -0.125 -5.545 2.094 133 HA SER 17 HA SER 17 -0.464 -2.799 1.286 134 1HB SER 17 1HB SER 17 1.438 -1.986 2.691 135 2HB SER 17 2HB SER 17 0.011 -2.429 3.628 136 HG SER 17 HG SER 17 2.436 -3.870 3.303 137 H LEU 18 H LEU 18 1.013 -2.131 -0.183 138 HA LEU 18 HA LEU 18 3.232 -3.962 -0.810 139 1HB LEU 18 1HB LEU 18 1.211 -2.702 -2.556 140 2HB LEU 18 2HB LEU 18 2.860 -2.657 -3.140 141 HG LEU 18 HG LEU 18 1.349 -5.154 -2.381 142 1HD1 LEU 18 1HD1 LEU 18 1.386 -5.634 -4.780 143 2HD1 LEU 18 2HD1 LEU 18 2.145 -4.072 -5.082 144 3HD1 LEU 18 3HD1 LEU 18 0.505 -4.146 -4.439 145 1HD2 LEU 18 1HD2 LEU 18 4.082 -4.790 -3.607 146 2HD2 LEU 18 2HD2 LEU 18 3.263 -6.330 -3.336 147 3HD2 LEU 18 3HD2 LEU 18 3.747 -5.335 -1.963 148 H THR 19 H THR 19 5.149 -3.051 -0.496 149 HA THR 19 HA THR 19 5.261 -0.140 -0.196 150 HB THR 19 HB THR 19 7.303 -2.218 0.618 151 HG1 THR 19 HG1 THR 19 5.355 -0.824 2.176 152 1HG2 THR 19 1HG2 THR 19 7.039 0.706 1.336 153 2HG2 THR 19 2HG2 THR 19 8.270 0.008 0.282 154 3HG2 THR 19 3HG2 THR 19 8.234 -0.410 1.996 155 H PHE 20 H PHE 20 5.972 1.019 -1.828 156 HA PHE 20 HA PHE 20 7.986 -0.122 -3.663 157 1HB PHE 20 1HB PHE 20 5.808 1.927 -4.102 158 2HB PHE 20 2HB PHE 20 7.149 1.741 -5.219 159 HD1 PHE 20 HD1 PHE 20 6.684 0.575 -7.100 160 HD2 PHE 20 HD2 PHE 20 4.680 -0.488 -3.504 161 HE1 PHE 20 HE1 PHE 20 5.437 -1.162 -8.315 162 HE2 PHE 20 HE2 PHE 20 3.427 -2.224 -4.718 163 HZ PHE 20 HZ PHE 20 3.803 -2.557 -7.116 164 H ASP 21 H ASP 21 9.688 1.321 -4.362 165 HA ASP 21 HA ASP 21 10.310 3.364 -2.380 166 1HB ASP 21 1HB ASP 21 12.523 3.197 -3.011 167 2HB ASP 21 2HB ASP 21 11.964 1.585 -3.426 168 H GLU 22 H GLU 22 11.549 5.383 -3.564 169 HA GLU 22 HA GLU 22 9.420 6.808 -4.764 170 1HB GLU 22 1HB GLU 22 11.149 8.584 -5.133 171 2HB GLU 22 2HB GLU 22 10.988 8.039 -3.475 172 1HG GLU 22 1HG GLU 22 13.035 6.706 -5.138 173 2HG GLU 22 2HG GLU 22 13.335 8.377 -4.670 174 H ASN 23 H ASN 23 11.854 4.796 -6.087 175 HA ASN 23 HA ASN 23 11.581 5.900 -8.761 176 1HB ASN 23 1HB ASN 23 13.197 3.581 -7.690 177 2HB ASN 23 2HB ASN 23 13.217 4.125 -9.359 178 1HD2 ASN 23 1HD2 ASN 23 14.144 4.845 -6.096 179 2HD2 ASN 23 2HD2 ASN 23 15.261 6.118 -6.480 180 H TYR 24 H TYR 24 9.657 4.167 -6.935 181 HA TYR 24 HA TYR 24 7.811 2.933 -7.308 182 1HB TYR 24 1HB TYR 24 8.460 3.313 -10.236 183 2HB TYR 24 2HB TYR 24 6.926 2.739 -9.587 184 HD1 TYR 24 HD1 TYR 24 8.867 5.602 -10.472 185 HD2 TYR 24 HD2 TYR 24 5.628 4.307 -8.042 186 HE1 TYR 24 HE1 TYR 24 8.106 7.929 -10.261 187 HE2 TYR 24 HE2 TYR 24 4.856 6.631 -7.823 188 HH TYR 24 HH TYR 24 5.932 8.946 -7.972 189 H ASN 25 H ASN 25 10.361 1.626 -6.927 190 HA ASN 25 HA ASN 25 9.882 -0.905 -8.347 191 1HB ASN 25 1HB ASN 25 12.176 -0.082 -6.545 192 2HB ASN 25 2HB ASN 25 12.034 -1.637 -7.360 193 1HD2 ASN 25 1HD2 ASN 25 12.649 1.747 -7.724 194 2HD2 ASN 25 2HD2 ASN 25 13.285 1.668 -9.338 195 H LEU 26 H LEU 26 9.076 -2.664 -7.326 196 HA LEU 26 HA LEU 26 7.799 -2.318 -4.814 197 1HB LEU 26 1HB LEU 26 7.197 -3.842 -6.830 198 2HB LEU 26 2HB LEU 26 8.317 -4.977 -6.105 199 HG LEU 26 HG LEU 26 5.924 -3.861 -4.645 200 1HD1 LEU 26 1HD1 LEU 26 5.193 -5.080 -6.625 201 2HD1 LEU 26 2HD1 LEU 26 4.816 -5.971 -5.151 202 3HD1 LEU 26 3HD1 LEU 26 6.186 -6.457 -6.151 203 1HD2 LEU 26 1HD2 LEU 26 7.668 -6.267 -4.118 204 2HD2 LEU 26 2HD2 LEU 26 6.267 -5.771 -3.169 205 3HD2 LEU 26 3HD2 LEU 26 7.704 -4.749 -3.219 206 H LEU 27 H LEU 27 8.677 -2.452 -2.885 207 HA LEU 27 HA LEU 27 11.285 -3.755 -2.575 208 1HB LEU 27 1HB LEU 27 9.825 -1.907 -0.688 209 2HB LEU 27 2HB LEU 27 11.471 -2.481 -0.508 210 HG LEU 27 HG LEU 27 10.484 -0.660 -2.703 211 1HD1 LEU 27 1HD1 LEU 27 10.516 0.446 -0.541 212 2HD1 LEU 27 2HD1 LEU 27 11.822 1.046 -1.561 213 3HD1 LEU 27 3HD1 LEU 27 12.171 -0.099 -0.267 214 1HD2 LEU 27 1HD2 LEU 27 12.865 -0.414 -3.245 215 2HD2 LEU 27 2HD2 LEU 27 12.314 -2.076 -3.452 216 3HD2 LEU 27 3HD2 LEU 27 13.260 -1.633 -2.032 217 H ASP 28 H ASP 28 8.135 -3.495 -0.948 218 HA ASP 28 HA ASP 28 8.658 -6.085 0.344 219 1HB ASP 28 1HB ASP 28 9.157 -4.284 1.944 220 2HB ASP 28 2HB ASP 28 7.551 -3.614 1.692 221 H THR 29 H THR 29 6.933 -7.414 0.565 222 HA THR 29 HA THR 29 4.290 -6.386 -0.227 223 HB THR 29 HB THR 29 5.361 -9.173 -0.748 224 HG1 THR 29 HG1 THR 29 6.345 -7.771 -2.195 225 1HG2 THR 29 1HG2 THR 29 2.958 -9.141 -0.410 226 2HG2 THR 29 2HG2 THR 29 3.324 -9.414 -2.114 227 3HG2 THR 29 3HG2 THR 29 2.792 -7.822 -1.569 228 H SER 30 H SER 30 2.895 -6.477 1.450 229 HA SER 30 HA SER 30 3.177 -8.685 3.367 230 1HB SER 30 1HB SER 30 2.865 -5.759 4.077 231 2HB SER 30 2HB SER 30 2.730 -7.088 5.229 232 HG SER 30 HG SER 30 5.009 -6.241 3.764 233 H GLY 31 H GLY 31 1.265 -9.132 4.621 234 1HA GLY 31 1HA GLY 31 -1.000 -9.315 4.979 235 2HA GLY 31 2HA GLY 31 -1.220 -7.825 4.073 236 H VAL 32 H VAL 32 -3.041 -8.636 3.026 237 HA VAL 32 HA VAL 32 -3.129 -11.060 1.593 238 HB VAL 32 HB VAL 32 -4.746 -8.553 1.090 239 1HG1 VAL 32 1HG1 VAL 32 -4.909 -10.157 -0.737 240 2HG1 VAL 32 2HG1 VAL 32 -6.423 -10.081 0.169 241 3HG1 VAL 32 3HG1 VAL 32 -5.317 -11.435 0.409 242 1HG2 VAL 32 1HG2 VAL 32 -4.904 -9.247 3.410 243 2HG2 VAL 32 2HG2 VAL 32 -5.292 -10.893 2.911 244 3HG2 VAL 32 3HG2 VAL 32 -6.416 -9.577 2.564 245 H ALA 33 H ALA 33 -1.562 -8.123 0.904 246 HA ALA 33 HA ALA 33 -1.680 -8.052 -1.904 247 1HB ALA 33 1HB ALA 33 0.564 -7.102 -0.125 248 2HB ALA 33 2HB ALA 33 -0.891 -6.182 -0.511 249 3HB ALA 33 3HB ALA 33 0.254 -6.596 -1.787 250 H LYS 34 H LYS 34 -0.165 -10.262 0.185 251 HA LYS 34 HA LYS 34 2.002 -11.005 -1.532 252 1HB LYS 34 1HB LYS 34 0.768 -12.447 0.819 253 2HB LYS 34 2HB LYS 34 2.258 -12.906 0.017 254 1HG LYS 34 1HG LYS 34 3.241 -10.738 0.651 255 2HG LYS 34 2HG LYS 34 1.759 -10.357 1.528 256 1HD LYS 34 1HD LYS 34 3.585 -12.696 2.084 257 2HD LYS 34 2HD LYS 34 3.514 -11.204 3.022 258 1HE LYS 34 1HE LYS 34 1.171 -11.679 3.581 259 2HE LYS 34 2HE LYS 34 1.257 -13.174 2.652 260 1HZ LYS 34 1HZ LYS 34 2.866 -12.534 5.068 261 2HZ LYS 34 2HZ LYS 34 2.980 -13.964 4.166 262 3HZ LYS 34 3HZ LYS 34 1.549 -13.602 5.001 263 H VAL 35 H VAL 35 -1.355 -11.861 -1.321 264 HA VAL 35 HA VAL 35 -0.880 -14.180 -3.066 265 HB VAL 35 HB VAL 35 -3.130 -14.926 -2.577 266 1HG1 VAL 35 1HG1 VAL 35 -1.628 -14.172 -0.076 267 2HG1 VAL 35 2HG1 VAL 35 -1.385 -15.622 -1.050 268 3HG1 VAL 35 3HG1 VAL 35 -2.900 -15.389 -0.175 269 1HG2 VAL 35 1HG2 VAL 35 -4.249 -12.777 -2.374 270 2HG2 VAL 35 2HG2 VAL 35 -3.390 -12.455 -0.867 271 3HG2 VAL 35 3HG2 VAL 35 -4.558 -13.774 -0.954 272 H ILE 36 H ILE 36 -2.086 -10.982 -3.019 273 HA ILE 36 HA ILE 36 -3.677 -11.158 -5.392 274 HB ILE 36 HB ILE 36 -2.487 -8.791 -3.936 275 1HG1 ILE 36 1HG1 ILE 36 -5.328 -9.825 -4.044 276 2HG1 ILE 36 2HG1 ILE 36 -4.201 -10.132 -2.725 277 1HG2 ILE 36 1HG2 ILE 36 -2.827 -8.191 -6.256 278 2HG2 ILE 36 2HG2 ILE 36 -4.044 -7.410 -5.246 279 3HG2 ILE 36 3HG2 ILE 36 -4.471 -8.828 -6.205 280 1HD1 ILE 36 1HD1 ILE 36 -4.102 -7.760 -2.240 281 2HD1 ILE 36 2HD1 ILE 36 -5.767 -8.342 -2.196 282 3HD1 ILE 36 3HD1 ILE 36 -5.189 -7.425 -3.588 283 H GLU 37 H GLU 37 -3.123 -10.583 -7.477 284 HA GLU 37 HA GLU 37 -0.417 -11.110 -8.202 285 1HB GLU 37 1HB GLU 37 -1.214 -10.817 -10.515 286 2HB GLU 37 2HB GLU 37 -2.224 -11.918 -9.592 287 1HG GLU 37 1HG GLU 37 -3.818 -10.046 -9.225 288 2HG GLU 37 2HG GLU 37 -2.835 -9.064 -10.312 289 H LYS 38 H LYS 38 1.116 -9.794 -9.049 290 HA LYS 38 HA LYS 38 0.856 -6.999 -8.372 291 1HB LYS 38 1HB LYS 38 3.112 -8.784 -9.162 292 2HB LYS 38 2HB LYS 38 3.298 -7.052 -9.393 293 1HG LYS 38 1HG LYS 38 4.218 -7.878 -7.250 294 2HG LYS 38 2HG LYS 38 2.981 -6.637 -7.055 295 1HD LYS 38 1HD LYS 38 1.323 -8.382 -6.572 296 2HD LYS 38 2HD LYS 38 2.574 -9.612 -6.750 297 1HE LYS 38 1HE LYS 38 2.681 -7.365 -4.740 298 2HE LYS 38 2HE LYS 38 2.052 -8.972 -4.386 299 1HZ LYS 38 1HZ LYS 38 4.157 -9.932 -4.692 300 2HZ LYS 38 2HZ LYS 38 4.444 -8.540 -3.767 301 3HZ LYS 38 3HZ LYS 38 4.796 -8.545 -5.425 302 H SER 39 H SER 39 -0.692 -6.338 -9.847 303 HA SER 39 HA SER 39 -0.221 -6.326 -12.664 304 1HB SER 39 1HB SER 39 -2.062 -4.650 -10.932 305 2HB SER 39 2HB SER 39 -2.127 -4.739 -12.693 306 HG SER 39 HG SER 39 -2.185 -7.214 -11.961 307 HA PRO 40 HA PRO 40 2.168 -2.529 -13.160 308 1HB PRO 40 1HB PRO 40 0.664 -0.909 -14.761 309 2HB PRO 40 2HB PRO 40 1.557 -2.310 -15.360 310 1HG PRO 40 1HG PRO 40 -1.343 -2.078 -14.655 311 2HG PRO 40 2HG PRO 40 -0.594 -2.850 -16.065 312 1HD PRO 40 1HD PRO 40 -1.448 -4.287 -13.967 313 2HD PRO 40 2HD PRO 40 0.017 -4.734 -14.867 314 H ILE 41 H ILE 41 1.122 -2.474 -10.751 315 HA ILE 41 HA ILE 41 -0.692 -0.364 -10.190 316 HB ILE 41 HB ILE 41 1.269 -1.753 -8.352 317 1HG1 ILE 41 1HG1 ILE 41 -1.660 -2.306 -8.874 318 2HG1 ILE 41 2HG1 ILE 41 -0.323 -3.278 -9.477 319 1HG2 ILE 41 1HG2 ILE 41 0.496 0.358 -7.422 320 2HG2 ILE 41 2HG2 ILE 41 -0.206 -1.001 -6.545 321 3HG2 ILE 41 3HG2 ILE 41 -1.179 -0.110 -7.715 322 1HD1 ILE 41 1HD1 ILE 41 0.306 -3.819 -7.176 323 2HD1 ILE 41 2HD1 ILE 41 -1.347 -4.316 -7.552 324 3HD1 ILE 41 3HD1 ILE 41 -1.059 -2.865 -6.591 325 H ALA 42 H ALA 42 2.807 -0.623 -10.377 326 HA ALA 42 HA ALA 42 3.533 1.754 -9.096 327 1HB ALA 42 1HB ALA 42 5.157 0.057 -9.732 328 2HB ALA 42 2HB ALA 42 5.609 1.627 -10.396 329 3HB ALA 42 3HB ALA 42 4.876 0.406 -11.436 330 H GLU 43 H GLU 43 2.474 1.152 -12.390 331 HA GLU 43 HA GLU 43 2.949 3.738 -13.418 332 1HB GLU 43 1HB GLU 43 2.509 1.725 -14.801 333 2HB GLU 43 2HB GLU 43 0.843 1.731 -14.243 334 1HG GLU 43 1HG GLU 43 1.075 2.682 -16.477 335 2HG GLU 43 2HG GLU 43 0.450 3.853 -15.319 336 H ILE 44 H ILE 44 0.256 2.311 -11.662 337 HA ILE 44 HA ILE 44 -1.406 4.639 -11.993 338 HB ILE 44 HB ILE 44 -1.835 2.481 -9.934 339 1HG1 ILE 44 1HG1 ILE 44 -1.445 1.388 -12.113 340 2HG1 ILE 44 2HG1 ILE 44 -3.121 1.231 -11.605 341 1HG2 ILE 44 1HG2 ILE 44 -3.258 4.449 -9.776 342 2HG2 ILE 44 2HG2 ILE 44 -4.199 3.049 -10.293 343 3HG2 ILE 44 3HG2 ILE 44 -3.718 4.271 -11.470 344 1HD1 ILE 44 1HD1 ILE 44 -2.075 3.195 -13.632 345 2HD1 ILE 44 2HD1 ILE 44 -3.758 3.021 -13.131 346 3HD1 ILE 44 3HD1 ILE 44 -2.950 1.703 -13.981 347 H ILE 45 H ILE 45 0.920 3.437 -9.683 348 HA ILE 45 HA ILE 45 0.307 5.079 -7.485 349 HB ILE 45 HB ILE 45 3.007 4.015 -8.361 350 1HG1 ILE 45 1HG1 ILE 45 1.069 3.025 -6.257 351 2HG1 ILE 45 2HG1 ILE 45 1.346 2.272 -7.825 352 1HG2 ILE 45 1HG2 ILE 45 3.296 5.943 -6.913 353 2HG2 ILE 45 2HG2 ILE 45 3.735 4.462 -6.057 354 3HG2 ILE 45 3HG2 ILE 45 2.189 5.246 -5.731 355 1HD1 ILE 45 1HD1 ILE 45 2.521 1.088 -6.060 356 2HD1 ILE 45 2HD1 ILE 45 3.377 2.565 -5.621 357 3HD1 ILE 45 3HD1 ILE 45 3.664 1.815 -7.190 358 H ARG 46 H ARG 46 2.506 5.591 -10.231 359 HA ARG 46 HA ARG 46 3.372 8.153 -9.424 360 1HB ARG 46 1HB ARG 46 4.087 8.393 -11.813 361 2HB ARG 46 2HB ARG 46 4.706 6.964 -11.005 362 1HG ARG 46 1HG ARG 46 2.986 5.620 -12.103 363 2HG ARG 46 2HG ARG 46 2.386 7.065 -12.918 364 1HD ARG 46 1HD ARG 46 5.173 5.949 -13.205 365 2HD ARG 46 2HD ARG 46 3.854 5.668 -14.339 366 HE ARG 46 HE ARG 46 4.618 8.439 -13.785 367 1HH1 ARG 46 1HH1 ARG 46 4.515 5.713 -15.999 368 2HH1 ARG 46 2HH1 ARG 46 5.059 6.647 -17.361 369 1HH2 ARG 46 1HH2 ARG 46 5.325 9.665 -15.582 370 2HH2 ARG 46 2HH2 ARG 46 5.508 8.883 -17.135 371 H LYS 47 H LYS 47 0.776 7.101 -11.613 372 HA LYS 47 HA LYS 47 -0.097 9.652 -12.377 373 1HB LYS 47 1HB LYS 47 -1.693 7.107 -12.031 374 2HB LYS 47 2HB LYS 47 -2.284 8.552 -12.839 375 1HG LYS 47 1HG LYS 47 -0.534 8.341 -14.520 376 2HG LYS 47 2HG LYS 47 0.086 6.905 -13.701 377 1HD LYS 47 1HD LYS 47 -2.088 5.796 -14.074 378 2HD LYS 47 2HD LYS 47 -2.638 7.218 -14.963 379 1HE LYS 47 1HE LYS 47 -0.790 6.902 -16.558 380 2HE LYS 47 2HE LYS 47 -0.304 5.452 -15.685 381 1HZ LYS 47 1HZ LYS 47 -2.888 5.867 -17.094 382 2HZ LYS 47 2HZ LYS 47 -2.484 4.487 -16.197 383 3HZ LYS 47 3HZ LYS 47 -1.615 4.866 -17.600 384 H SER 48 H SER 48 -1.081 7.602 -9.651 385 HA SER 48 HA SER 48 -2.983 9.403 -8.589 386 1HB SER 48 1HB SER 48 -1.395 7.273 -7.140 387 2HB SER 48 2HB SER 48 -2.899 8.013 -6.597 388 HG SER 48 HG SER 48 -2.513 6.360 -8.871 389 H ASN 49 H ASN 49 0.481 9.189 -8.366 390 HA ASN 49 HA ASN 49 0.830 10.670 -5.982 391 1HB ASN 49 1HB ASN 49 2.662 9.353 -6.868 392 2HB ASN 49 2HB ASN 49 2.674 10.293 -8.356 393 1HD2 ASN 49 1HD2 ASN 49 3.752 12.221 -8.416 394 2HD2 ASN 49 2HD2 ASN 49 4.691 12.830 -7.096 395 H ALA 50 H ALA 50 0.506 11.585 -9.363 396 HA ALA 50 HA ALA 50 0.914 14.381 -8.875 397 1HB ALA 50 1HB ALA 50 0.185 14.694 -11.169 398 2HB ALA 50 2HB ALA 50 -0.392 13.029 -11.233 399 3HB ALA 50 3HB ALA 50 1.333 13.359 -11.070 400 H GLU 51 H GLU 51 -1.797 12.202 -8.874 401 HA GLU 51 HA GLU 51 -3.851 14.146 -9.015 402 1HB GLU 51 1HB GLU 51 -3.878 11.324 -7.941 403 2HB GLU 51 2HB GLU 51 -5.312 12.309 -8.188 404 1HG GLU 51 1HG GLU 51 -3.391 11.485 -10.351 405 2HG GLU 51 2HG GLU 51 -4.928 10.698 -9.999 406 H LEU 52 H LEU 52 -2.428 12.390 -6.253 407 HA LEU 52 HA LEU 52 -3.892 14.227 -4.474 408 1HB LEU 52 1HB LEU 52 -4.090 12.265 -2.911 409 2HB LEU 52 2HB LEU 52 -5.067 12.194 -4.365 410 HG LEU 52 HG LEU 52 -3.306 10.702 -5.368 411 1HD1 LEU 52 1HD1 LEU 52 -2.322 10.531 -2.524 412 2HD1 LEU 52 2HD1 LEU 52 -1.457 11.282 -3.866 413 3HD1 LEU 52 3HD1 LEU 52 -1.780 9.547 -3.883 414 1HD2 LEU 52 1HD2 LEU 52 -5.420 9.902 -4.451 415 2HD2 LEU 52 2HD2 LEU 52 -4.655 9.722 -2.872 416 3HD2 LEU 52 3HD2 LEU 52 -4.111 8.740 -4.233 417 H GLY 53 H GLY 53 -3.051 13.665 -2.084 418 1HA GLY 53 1HA GLY 53 -0.102 13.638 -2.152 419 2HA GLY 53 2HA GLY 53 -1.022 14.641 -1.036 420 H ARG 54 H ARG 54 -2.084 13.675 0.721 421 HA ARG 54 HA ARG 54 -0.841 11.206 1.606 422 1HB ARG 54 1HB ARG 54 -1.051 13.203 3.090 423 2HB ARG 54 2HB ARG 54 -2.796 12.988 3.067 424 1HG ARG 54 1HG ARG 54 -2.376 10.661 3.980 425 2HG ARG 54 2HG ARG 54 -0.719 11.190 4.272 426 1HD ARG 54 1HD ARG 54 -3.218 12.461 5.360 427 2HD ARG 54 2HD ARG 54 -2.087 11.454 6.264 428 HE ARG 54 HE ARG 54 -0.411 13.297 5.612 429 1HH1 ARG 54 1HH1 ARG 54 -3.787 13.766 6.394 430 2HH1 ARG 54 2HH1 ARG 54 -3.584 15.421 6.889 431 1HH2 ARG 54 1HH2 ARG 54 -0.122 15.482 6.272 432 2HH2 ARG 54 2HH2 ARG 54 -1.496 16.399 6.814 433 H LEU 55 H LEU 55 -3.686 12.102 0.060 434 HA LEU 55 HA LEU 55 -5.518 10.260 1.185 435 1HB LEU 55 1HB LEU 55 -5.491 11.498 -1.569 436 2HB LEU 55 2HB LEU 55 -6.851 10.664 -0.844 437 HG LEU 55 HG LEU 55 -5.633 13.236 0.167 438 1HD1 LEU 55 1HD1 LEU 55 -8.222 12.699 -1.277 439 2HD1 LEU 55 2HD1 LEU 55 -6.817 13.543 -1.928 440 3HD1 LEU 55 3HD1 LEU 55 -7.729 14.247 -0.593 441 1HD2 LEU 55 1HD2 LEU 55 -7.562 13.300 1.670 442 2HD2 LEU 55 2HD2 LEU 55 -6.556 11.882 1.972 443 3HD2 LEU 55 3HD2 LEU 55 -8.072 11.716 1.086 444 H GLY 56 H GLY 56 -6.390 8.350 0.148 445 1HA GLY 56 1HA GLY 56 -4.317 6.886 -1.352 446 2HA GLY 56 2HA GLY 56 -5.485 6.138 -0.273 447 H TYR 57 H TYR 57 -4.777 7.069 -3.436 448 HA TYR 57 HA TYR 57 -7.479 6.962 -4.448 449 1HB TYR 57 1HB TYR 57 -5.793 8.384 -5.530 450 2HB TYR 57 2HB TYR 57 -4.807 6.972 -5.874 451 HD1 TYR 57 HD1 TYR 57 -5.184 5.677 -7.803 452 HD2 TYR 57 HD2 TYR 57 -8.007 8.652 -6.681 453 HE1 TYR 57 HE1 TYR 57 -6.288 5.435 -9.980 454 HE2 TYR 57 HE2 TYR 57 -9.131 8.409 -8.860 455 HH TYR 57 HH TYR 57 -8.508 5.819 -10.962 456 H SER 58 H SER 58 -8.502 5.205 -5.243 457 HA SER 58 HA SER 58 -7.443 2.619 -4.769 458 1HB SER 58 1HB SER 58 -9.815 3.404 -6.484 459 2HB SER 58 2HB SER 58 -9.500 1.811 -5.794 460 HG SER 58 HG SER 58 -10.902 3.648 -4.682 461 H VAL 59 H VAL 59 -5.815 1.820 -5.894 462 HA VAL 59 HA VAL 59 -5.464 2.623 -8.687 463 HB VAL 59 HB VAL 59 -3.159 1.773 -8.453 464 1HG1 VAL 59 1HG1 VAL 59 -3.966 3.685 -6.265 465 2HG1 VAL 59 2HG1 VAL 59 -3.679 4.112 -7.953 466 3HG1 VAL 59 3HG1 VAL 59 -2.353 3.513 -6.958 467 1HG2 VAL 59 1HG2 VAL 59 -3.930 1.255 -5.580 468 2HG2 VAL 59 2HG2 VAL 59 -2.301 1.140 -6.250 469 3HG2 VAL 59 3HG2 VAL 59 -3.558 0.027 -6.791 470 H TYR 60 H TYR 60 -5.933 -0.200 -6.675 471 HA TYR 60 HA TYR 60 -6.209 -1.811 -9.115 472 1HB TYR 60 1HB TYR 60 -4.034 -2.354 -8.139 473 2HB TYR 60 2HB TYR 60 -4.784 -2.645 -6.575 474 HD1 TYR 60 HD1 TYR 60 -5.775 -4.742 -6.065 475 HD2 TYR 60 HD2 TYR 60 -4.500 -3.917 -10.037 476 HE1 TYR 60 HE1 TYR 60 -6.104 -7.105 -6.657 477 HE2 TYR 60 HE2 TYR 60 -4.827 -6.281 -10.638 478 HH TYR 60 HH TYR 60 -6.487 -8.484 -8.585 479 H GLU 61 H GLU 61 -8.301 -2.352 -9.195 480 HA GLU 61 HA GLU 61 -9.613 -3.066 -6.666 481 1HB GLU 61 1HB GLU 61 -10.709 -1.218 -7.828 482 2HB GLU 61 2HB GLU 61 -10.866 -2.204 -9.277 483 1HG GLU 61 1HG GLU 61 -12.325 -3.748 -8.072 484 2HG GLU 61 2HG GLU 61 -12.164 -2.766 -6.617 485 H ASP 62 H ASP 62 -9.601 -5.138 -6.333 486 HA ASP 62 HA ASP 62 -9.664 -7.014 -8.577 487 1HB ASP 62 1HB ASP 62 -7.895 -7.166 -6.735 488 2HB ASP 62 2HB ASP 62 -9.196 -7.605 -5.639 489 H ALA 63 H ALA 63 -11.019 -9.096 -7.849 490 HA ALA 63 HA ALA 63 -13.674 -8.105 -7.443 491 1HB ALA 63 1HB ALA 63 -13.287 -9.944 -8.995 492 2HB ALA 63 2HB ALA 63 -14.366 -10.453 -7.697 493 3HB ALA 63 3HB ALA 63 -12.672 -10.943 -7.680 494 H GLN 64 H GLN 64 -11.161 -9.162 -5.463 495 HA GLN 64 HA GLN 64 -12.973 -9.805 -3.242 496 1HB GLN 64 1HB GLN 64 -9.985 -10.185 -3.403 497 2HB GLN 64 2HB GLN 64 -11.070 -10.833 -2.180 498 1HG GLN 64 1HG GLN 64 -12.068 -12.320 -3.744 499 2HG GLN 64 2HG GLN 64 -11.220 -11.560 -5.091 500 1HE2 GLN 64 1HE2 GLN 64 -8.992 -11.870 -5.304 501 2HE2 GLN 64 2HE2 GLN 64 -8.192 -13.211 -4.555 502 H TYR 65 H TYR 65 -10.086 -7.843 -3.985 503 HA TYR 65 HA TYR 65 -10.705 -6.168 -1.645 504 1HB TYR 65 1HB TYR 65 -7.947 -7.089 -2.460 505 2HB TYR 65 2HB TYR 65 -8.327 -6.063 -1.088 506 HD1 TYR 65 HD1 TYR 65 -8.347 -9.478 -2.392 507 HD2 TYR 65 HD2 TYR 65 -9.296 -7.012 0.939 508 HE1 TYR 65 HE1 TYR 65 -8.553 -11.475 -0.979 509 HE2 TYR 65 HE2 TYR 65 -9.501 -9.005 2.363 510 HH TYR 65 HH TYR 65 -9.785 -11.315 2.278 511 H ILE 66 H ILE 66 -9.318 -4.101 -1.701 512 HA ILE 66 HA ILE 66 -8.872 -3.151 -4.441 513 HB ILE 66 HB ILE 66 -10.471 -1.685 -2.336 514 1HG1 ILE 66 1HG1 ILE 66 -11.260 -2.701 -5.075 515 2HG1 ILE 66 2HG1 ILE 66 -11.731 -3.427 -3.544 516 1HG2 ILE 66 1HG2 ILE 66 -10.697 0.105 -3.991 517 2HG2 ILE 66 2HG2 ILE 66 -9.631 -0.774 -5.088 518 3HG2 ILE 66 3HG2 ILE 66 -9.007 -0.157 -3.557 519 1HD1 ILE 66 1HD1 ILE 66 -13.531 -2.096 -4.481 520 2HD1 ILE 66 2HD1 ILE 66 -12.488 -0.675 -4.500 521 3HD1 ILE 66 3HD1 ILE 66 -12.964 -1.400 -2.964 522 H GLY 67 H GLY 67 -6.965 -2.188 -4.629 523 1HA GLY 67 1HA GLY 67 -5.474 -1.513 -2.192 524 2HA GLY 67 2HA GLY 67 -4.791 -1.731 -3.796 525 H HIS 68 H HIS 68 -4.461 0.474 -1.874 526 HA HIS 68 HA HIS 68 -5.358 2.689 -3.596 527 1HB HIS 68 1HB HIS 68 -5.228 2.952 -0.590 528 2HB HIS 68 2HB HIS 68 -5.991 4.034 -1.748 529 HD1 HIS 68 HD1 HIS 68 -8.390 3.421 -2.539 530 HD2 HIS 68 HD2 HIS 68 -6.743 0.742 0.182 531 HE1 HIS 68 HE1 HIS 68 -10.302 1.983 -1.760 532 HE2 HIS 68 HE2 HIS 68 -9.265 0.311 -0.176 533 H ALA 69 H ALA 69 -3.727 4.081 -4.122 534 HA ALA 69 HA ALA 69 -1.082 3.534 -3.045 535 1HB ALA 69 1HB ALA 69 -0.289 5.163 -4.698 536 2HB ALA 69 2HB ALA 69 -1.959 5.520 -5.137 537 3HB ALA 69 3HB ALA 69 -1.293 3.912 -5.430 538 H PHE 70 H PHE 70 -0.204 4.559 -1.397 539 HA PHE 70 HA PHE 70 -1.155 7.268 -0.744 540 1HB PHE 70 1HB PHE 70 -0.178 5.055 1.053 541 2HB PHE 70 2HB PHE 70 -0.301 6.727 1.587 542 HD1 PHE 70 HD1 PHE 70 -2.202 3.791 0.459 543 HD2 PHE 70 HD2 PHE 70 -2.389 7.708 2.105 544 HE1 PHE 70 HE1 PHE 70 -4.566 3.435 1.031 545 HE2 PHE 70 HE2 PHE 70 -4.752 7.357 2.679 546 HZ PHE 70 HZ PHE 70 -5.842 5.220 2.145 547 H LYS 71 H LYS 71 0.309 8.856 -0.488 548 HA LYS 71 HA LYS 71 3.059 8.341 -1.209 549 1HB LYS 71 1HB LYS 71 1.386 10.756 -0.744 550 2HB LYS 71 2HB LYS 71 3.115 10.921 -0.451 551 1HG LYS 71 1HG LYS 71 2.782 11.627 -2.652 552 2HG LYS 71 2HG LYS 71 3.441 10.001 -2.796 553 1HD LYS 71 1HD LYS 71 0.481 10.398 -2.775 554 2HD LYS 71 2HD LYS 71 1.394 10.737 -4.245 555 1HE LYS 71 1HE LYS 71 2.248 8.481 -4.280 556 2HE LYS 71 2HE LYS 71 1.469 8.128 -2.737 557 1HZ LYS 71 1HZ LYS 71 0.022 8.864 -5.222 558 2HZ LYS 71 2HZ LYS 71 -0.672 8.380 -3.756 559 3HZ LYS 71 3HZ LYS 71 0.232 7.279 -4.668 560 H LYS 72 H LYS 72 4.649 7.925 0.170 561 HA LYS 72 HA LYS 72 4.119 8.317 3.046 562 1HB LYS 72 1HB LYS 72 5.868 6.214 1.751 563 2HB LYS 72 2HB LYS 72 5.511 6.362 3.465 564 1HG LYS 72 1HG LYS 72 3.448 5.812 1.346 565 2HG LYS 72 2HG LYS 72 4.242 4.572 2.317 566 1HD LYS 72 1HD LYS 72 2.601 6.847 3.428 567 2HD LYS 72 2HD LYS 72 2.007 5.206 3.174 568 1HE LYS 72 1HE LYS 72 3.738 4.371 4.716 569 2HE LYS 72 2HE LYS 72 4.266 6.031 4.995 570 1HZ LYS 72 1HZ LYS 72 1.597 4.906 5.647 571 2HZ LYS 72 2HZ LYS 72 2.045 6.530 5.856 572 3HZ LYS 72 3HZ LYS 72 2.812 5.312 6.758 573 H ALA 73 H ALA 73 6.416 8.149 4.239 574 HA ALA 73 HA ALA 73 7.802 10.508 3.512 575 1HB ALA 73 1HB ALA 73 8.717 8.352 5.408 576 2HB ALA 73 2HB ALA 73 7.624 9.670 5.828 577 3HB ALA 73 3HB ALA 73 9.285 10.019 5.349 578 H GLY 74 H GLY 74 8.659 10.416 1.501 579 1HA GLY 74 1HA GLY 74 10.317 10.063 -0.043 580 2HA GLY 74 2HA GLY 74 11.217 9.220 1.207 581 H HIS 75 H HIS 75 8.074 7.996 0.647 582 HA HIS 75 HA HIS 75 9.005 6.009 -1.272 583 1HB HIS 75 1HB HIS 75 8.324 5.421 1.582 584 2HB HIS 75 2HB HIS 75 7.923 4.233 0.347 585 HD1 HIS 75 HD1 HIS 75 10.132 3.966 2.689 586 HD2 HIS 75 HD2 HIS 75 10.815 4.714 -1.346 587 HE1 HIS 75 HE1 HIS 75 12.476 3.176 2.238 588 HE2 HIS 75 HE2 HIS 75 12.925 3.798 -0.166 589 H PHE 76 H PHE 76 7.150 4.410 -1.733 590 HA PHE 76 HA PHE 76 4.547 5.775 -1.546 591 1HB PHE 76 1HB PHE 76 5.655 4.325 -3.964 592 2HB PHE 76 2HB PHE 76 4.027 4.977 -3.827 593 HD1 PHE 76 HD1 PHE 76 3.885 7.526 -3.298 594 HD2 PHE 76 HD2 PHE 76 7.297 5.598 -4.949 595 HE1 PHE 76 HE1 PHE 76 4.662 9.678 -4.198 596 HE2 PHE 76 HE2 PHE 76 8.081 7.746 -5.851 597 HZ PHE 76 HZ PHE 76 6.760 9.792 -5.476 598 H ILE 77 H ILE 77 3.040 4.487 -0.630 599 HA ILE 77 HA ILE 77 3.507 1.587 -0.807 600 HB ILE 77 HB ILE 77 2.585 3.089 1.648 601 1HG1 ILE 77 1HG1 ILE 77 5.089 1.501 1.047 602 2HG1 ILE 77 2HG1 ILE 77 4.985 3.238 1.308 603 1HG2 ILE 77 1HG2 ILE 77 1.375 0.992 1.447 604 2HG2 ILE 77 2HG2 ILE 77 2.555 0.891 2.754 605 3HG2 ILE 77 3HG2 ILE 77 2.888 0.119 1.204 606 1HD1 ILE 77 1HD1 ILE 77 4.416 1.115 3.364 607 2HD1 ILE 77 2HD1 ILE 77 4.313 2.856 3.620 608 3HD1 ILE 77 3HD1 ILE 77 5.869 2.108 3.263 609 H VAL 78 H VAL 78 1.817 0.374 -1.310 610 HA VAL 78 HA VAL 78 -0.764 1.716 -1.714 611 HB VAL 78 HB VAL 78 0.248 -0.892 -2.871 612 1HG1 VAL 78 1HG1 VAL 78 -2.164 -0.906 -2.651 613 2HG1 VAL 78 2HG1 VAL 78 -1.715 -0.744 -4.348 614 3HG1 VAL 78 3HG1 VAL 78 -2.270 0.665 -3.445 615 1HG2 VAL 78 1HG2 VAL 78 0.402 0.328 -4.984 616 2HG2 VAL 78 2HG2 VAL 78 1.450 1.037 -3.755 617 3HG2 VAL 78 3HG2 VAL 78 -0.080 1.813 -4.162 618 H TYR 79 H TYR 79 -2.117 1.428 -0.073 619 HA TYR 79 HA TYR 79 -1.907 -0.934 1.604 620 1HB TYR 79 1HB TYR 79 -3.565 1.582 1.806 621 2HB TYR 79 2HB TYR 79 -3.688 0.246 2.939 622 HD1 TYR 79 HD1 TYR 79 -1.188 2.605 1.503 623 HD2 TYR 79 HD2 TYR 79 -2.338 0.237 4.838 624 HE1 TYR 79 HE1 TYR 79 0.649 3.576 2.812 625 HE2 TYR 79 HE2 TYR 79 -0.503 1.203 6.161 626 HH TYR 79 HH TYR 79 1.614 2.320 5.861 627 H PHE 80 H PHE 80 -3.061 -2.673 1.223 628 HA PHE 80 HA PHE 80 -5.299 -2.519 -0.632 629 1HB PHE 80 1HB PHE 80 -3.658 -4.802 0.443 630 2HB PHE 80 2HB PHE 80 -5.150 -5.060 -0.448 631 HD1 PHE 80 HD1 PHE 80 -5.244 -4.815 -2.800 632 HD2 PHE 80 HD2 PHE 80 -1.720 -3.741 -0.671 633 HE1 PHE 80 HE1 PHE 80 -4.015 -4.653 -4.926 634 HE2 PHE 80 HE2 PHE 80 -0.485 -3.577 -2.791 635 HZ PHE 80 HZ PHE 80 -1.631 -4.033 -4.922 636 H THR 81 H THR 81 -7.233 -2.270 0.148 637 HA THR 81 HA THR 81 -7.921 -3.438 2.762 638 HB THR 81 HB THR 81 -9.875 -1.949 2.733 639 HG1 THR 81 HG1 THR 81 -10.264 -1.782 0.520 640 1HG2 THR 81 1HG2 THR 81 -8.736 0.224 2.889 641 2HG2 THR 81 2HG2 THR 81 -7.316 -0.473 2.106 642 3HG2 THR 81 3HG2 THR 81 -7.823 -1.053 3.694 643 HA PRO 82 HA PRO 82 -10.807 -6.158 0.544 644 1HB PRO 82 1HB PRO 82 -13.150 -5.762 1.924 645 2HB PRO 82 2HB PRO 82 -11.869 -6.850 2.463 646 1HG PRO 82 1HG PRO 82 -12.487 -4.061 3.340 647 2HG PRO 82 2HG PRO 82 -11.977 -5.456 4.309 648 1HD PRO 82 1HD PRO 82 -10.266 -3.491 3.604 649 2HD PRO 82 2HD PRO 82 -9.748 -5.182 3.761 650 H LYS 83 H LYS 83 -12.694 -5.946 -0.912 651 HA LYS 83 HA LYS 83 -13.058 -3.606 -2.285 652 1HB LYS 83 1HB LYS 83 -14.695 -6.022 -1.893 653 2HB LYS 83 2HB LYS 83 -15.594 -4.597 -2.398 654 1HG LYS 83 1HG LYS 83 -14.029 -4.355 -4.309 655 2HG LYS 83 2HG LYS 83 -13.274 -5.876 -3.825 656 1HD LYS 83 1HD LYS 83 -15.238 -7.102 -4.265 657 2HD LYS 83 2HD LYS 83 -16.221 -5.639 -4.370 658 1HE LYS 83 1HE LYS 83 -14.024 -6.397 -6.287 659 2HE LYS 83 2HE LYS 83 -15.742 -6.651 -6.577 660 1HZ LYS 83 1HZ LYS 83 -15.004 -4.661 -7.672 661 2HZ LYS 83 2HZ LYS 83 -14.382 -4.037 -6.228 662 3HZ LYS 83 3HZ LYS 83 -16.053 -4.231 -6.408 663 H ASN 84 H ASN 84 -13.295 -1.695 -1.296 664 HA ASN 84 HA ASN 84 -15.611 -1.323 0.448 665 1HB ASN 84 1HB ASN 84 -13.574 -1.712 1.849 666 2HB ASN 84 2HB ASN 84 -12.848 -0.287 1.114 667 1HD2 ASN 84 1HD2 ASN 84 -13.622 1.748 1.660 668 2HD2 ASN 84 2HD2 ASN 84 -14.624 2.009 3.045 669 H LYS 85 H LYS 85 -16.432 -0.388 -1.499 670 HA LYS 85 HA LYS 85 -15.552 2.409 -1.785 671 1HB LYS 85 1HB LYS 85 -15.383 1.043 -3.880 672 2HB LYS 85 2HB LYS 85 -17.113 0.752 -3.786 673 1HG LYS 85 1HG LYS 85 -17.543 3.136 -4.036 674 2HG LYS 85 2HG LYS 85 -15.808 3.452 -4.088 675 1HD LYS 85 1HD LYS 85 -17.324 1.743 -6.062 676 2HD LYS 85 2HD LYS 85 -16.845 3.420 -6.329 677 1HE LYS 85 1HE LYS 85 -14.492 2.783 -6.106 678 2HE LYS 85 2HE LYS 85 -14.969 1.108 -5.828 679 1HZ LYS 85 1HZ LYS 85 -15.925 1.039 -8.037 680 2HZ LYS 85 2HZ LYS 85 -14.297 1.490 -8.134 681 3HZ LYS 85 3HZ LYS 85 -15.512 2.661 -8.306 682 H ASN 86 H ASN 86 -18.252 0.164 -1.706 683 HA ASN 86 HA ASN 86 -20.272 0.199 -0.693 684 1HB ASN 86 1HB ASN 86 -19.411 2.725 0.720 685 2HB ASN 86 2HB ASN 86 -20.631 1.570 1.239 686 1HD2 ASN 86 1HD2 ASN 86 -19.958 -0.426 2.109 687 2HD2 ASN 86 2HD2 ASN 86 -18.345 -0.648 2.695 688 H ARG 87 H ARG 87 -19.606 3.645 -0.943 689 HA ARG 87 HA ARG 87 -21.454 4.237 -3.002 690 1HB ARG 87 1HB ARG 87 -23.151 3.695 -1.346 691 2HB ARG 87 2HB ARG 87 -22.342 4.673 -0.134 692 1HG ARG 87 1HG ARG 87 -24.219 5.898 -0.849 693 2HG ARG 87 2HG ARG 87 -22.814 6.669 -1.584 694 1HD ARG 87 1HD ARG 87 -23.286 5.686 -3.700 695 2HD ARG 87 2HD ARG 87 -24.528 4.641 -3.005 696 HE ARG 87 HE ARG 87 -24.832 7.565 -2.953 697 1HH1 ARG 87 1HH1 ARG 87 -25.978 4.412 -3.969 698 2HH1 ARG 87 2HH1 ARG 87 -27.530 5.005 -4.476 699 1HH2 ARG 87 1HH2 ARG 87 -26.874 8.334 -3.576 700 2HH2 ARG 87 2HH2 ARG 87 -28.061 7.228 -4.212 701 H GLU 88 H GLU 88 -20.441 5.536 0.119 702 HA GLU 88 HA GLU 88 -18.279 7.027 -0.861 703 1HB GLU 88 1HB GLU 88 -20.155 8.417 -1.777 704 2HB GLU 88 2HB GLU 88 -20.684 8.704 -0.125 705 1HG GLU 88 1HG GLU 88 -18.706 9.911 0.385 706 2HG GLU 88 2HG GLU 88 -17.947 9.420 -1.130 707 H GLY 89 H GLY 89 -17.287 6.051 0.868 708 1HA GLY 89 1HA GLY 89 -18.323 5.719 3.426 709 2HA GLY 89 2HA GLY 89 -16.613 5.710 3.031 710 H VAL 90 H VAL 90 -16.064 8.234 2.327 711 HA VAL 90 HA VAL 90 -17.195 10.147 4.139 712 HB VAL 90 HB VAL 90 -15.693 8.928 5.674 713 1HG1 VAL 90 1HG1 VAL 90 -14.068 8.106 4.069 714 2HG1 VAL 90 2HG1 VAL 90 -13.271 8.992 5.369 715 3HG1 VAL 90 3HG1 VAL 90 -13.489 9.749 3.791 716 1HG2 VAL 90 1HG2 VAL 90 -16.047 11.279 6.091 717 2HG2 VAL 90 2HG2 VAL 90 -14.757 11.705 4.966 718 3HG2 VAL 90 3HG2 VAL 90 -14.374 10.863 6.467 719 H VAL 91 H VAL 91 -16.637 12.260 3.560 720 HA VAL 91 HA VAL 91 -14.985 12.453 1.132 721 HB VAL 91 HB VAL 91 -16.227 14.733 0.904 722 1HG1 VAL 91 1HG1 VAL 91 -17.601 12.103 0.373 723 2HG1 VAL 91 2HG1 VAL 91 -16.403 12.879 -0.663 724 3HG1 VAL 91 3HG1 VAL 91 -17.974 13.638 -0.410 725 1HG2 VAL 91 1HG2 VAL 91 -18.157 13.175 2.627 726 2HG2 VAL 91 2HG2 VAL 91 -18.537 14.655 1.749 727 3HG2 VAL 91 3HG2 VAL 91 -17.358 14.686 3.061 728 HA PRO 92 HA PRO 92 -12.448 14.969 3.908 729 1HB PRO 92 1HB PRO 92 -10.096 13.975 3.177 730 2HB PRO 92 2HB PRO 92 -11.186 13.014 4.186 731 1HG PRO 92 1HG PRO 92 -10.640 12.809 1.256 732 2HG PRO 92 2HG PRO 92 -10.891 11.517 2.439 733 1HD PRO 92 1HD PRO 92 -12.825 12.535 0.702 734 2HD PRO 92 2HD PRO 92 -13.141 11.556 2.148 735 HA PRO 93 HA PRO 93 -11.071 18.028 0.923 736 1HB PRO 93 1HB PRO 93 -8.548 18.656 1.786 737 2HB PRO 93 2HB PRO 93 -10.024 19.271 2.541 738 1HG PRO 93 1HG PRO 93 -8.271 16.996 3.374 739 2HG PRO 93 2HG PRO 93 -9.048 18.236 4.374 740 1HD PRO 93 1HD PRO 93 -10.047 15.742 4.158 741 2HD PRO 93 2HD PRO 93 -11.096 17.165 4.338 742 H VAL 94 H VAL 94 -10.646 17.385 -1.097 743 HA VAL 94 HA VAL 94 -8.775 15.272 -1.644 744 HB VAL 94 HB VAL 94 -10.185 17.049 -3.643 745 1HG1 VAL 94 1HG1 VAL 94 -8.955 14.309 -3.918 746 2HG1 VAL 94 2HG1 VAL 94 -8.322 15.813 -4.591 747 3HG1 VAL 94 3HG1 VAL 94 -9.854 15.160 -5.174 748 1HG2 VAL 94 1HG2 VAL 94 -11.815 15.994 -2.174 749 2HG2 VAL 94 2HG2 VAL 94 -11.076 14.418 -2.463 750 3HG2 VAL 94 3HG2 VAL 94 -11.871 15.274 -3.783 751 H GLY 95 H GLY 95 -6.794 16.068 -0.953 752 1HA GLY 95 1HA GLY 95 -4.945 16.931 -2.643 753 2HA GLY 95 2HA GLY 95 -5.715 18.457 -2.226 754 H ILE 96 H ILE 96 -4.289 19.471 -0.968 755 HA ILE 96 HA ILE 96 -3.415 18.088 1.487 756 HB ILE 96 HB ILE 96 -1.746 20.009 -0.158 757 1HG1 ILE 96 1HG1 ILE 96 -1.823 17.713 -1.069 758 2HG1 ILE 96 2HG1 ILE 96 -0.220 18.132 -0.475 759 1HG2 ILE 96 1HG2 ILE 96 0.002 19.684 1.503 760 2HG2 ILE 96 2HG2 ILE 96 -1.069 18.648 2.447 761 3HG2 ILE 96 3HG2 ILE 96 -1.447 20.360 2.247 762 1HD1 ILE 96 1HD1 ILE 96 -0.839 15.851 0.114 763 2HD1 ILE 96 2HD1 ILE 96 -2.249 16.455 0.986 764 3HD1 ILE 96 3HD1 ILE 96 -0.626 16.851 1.552 765 H THR 97 H THR 97 -3.041 21.383 0.209 766 HA THR 97 HA THR 97 -4.817 22.341 2.353 767 HB THR 97 HB THR 97 -2.465 23.837 1.163 768 HG1 THR 97 HG1 THR 97 -2.776 22.579 3.715 769 1HG2 THR 97 1HG2 THR 97 -4.285 25.292 1.928 770 2HG2 THR 97 2HG2 THR 97 -2.872 25.435 2.973 771 3HG2 THR 97 3HG2 THR 97 -4.266 24.491 3.499 772 H ASN 98 H ASN 98 -6.675 22.544 1.252 773 HA ASN 98 HA ASN 98 -6.701 24.244 -1.142 774 1HB ASN 98 1HB ASN 98 -8.172 21.622 -0.770 775 2HB ASN 98 2HB ASN 98 -8.477 22.751 -2.086 776 1HD2 ASN 98 1HD2 ASN 98 -7.016 22.909 -3.765 777 2HD2 ASN 98 2HD2 ASN 98 -5.738 21.759 -3.995 Start of MODEL 18 1 H MET 1 H MET 1 -17.402 8.233 -6.576 2 HA MET 1 HA MET 1 -19.067 6.843 -5.703 3 1HB MET 1 1HB MET 1 -19.604 4.668 -6.803 4 2HB MET 1 2HB MET 1 -20.129 6.079 -7.704 5 1HG MET 1 1HG MET 1 -19.278 4.614 -9.303 6 2HG MET 1 2HG MET 1 -18.011 5.815 -9.070 7 1HE MET 1 1HE MET 1 -16.073 2.473 -9.850 8 2HE MET 1 2HE MET 1 -16.314 4.153 -10.333 9 3HE MET 1 3HE MET 1 -17.626 2.988 -10.512 10 H LYS 2 H LYS 2 -15.903 6.463 -6.879 11 HA LYS 2 HA LYS 2 -15.325 4.442 -4.813 12 1HB LYS 2 1HB LYS 2 -14.580 4.235 -7.329 13 2HB LYS 2 2HB LYS 2 -13.330 5.376 -6.856 14 1HG LYS 2 1HG LYS 2 -12.320 3.295 -6.641 15 2HG LYS 2 2HG LYS 2 -12.772 3.723 -4.990 16 1HD LYS 2 1HD LYS 2 -13.314 1.395 -5.440 17 2HD LYS 2 2HD LYS 2 -14.791 2.330 -5.202 18 1HE LYS 2 1HE LYS 2 -15.132 2.449 -7.605 19 2HE LYS 2 2HE LYS 2 -13.615 1.598 -7.884 20 1HZ LYS 2 1HZ LYS 2 -15.728 0.241 -8.011 21 2HZ LYS 2 2HZ LYS 2 -15.825 0.389 -6.324 22 3HZ LYS 2 3HZ LYS 2 -14.491 -0.385 -7.034 23 H SER 3 H SER 3 -15.213 5.703 -2.994 24 HA SER 3 HA SER 3 -14.354 8.389 -3.017 25 1HB SER 3 1HB SER 3 -14.683 6.528 -0.658 26 2HB SER 3 2HB SER 3 -14.626 8.289 -0.594 27 HG SER 3 HG SER 3 -16.617 6.623 -1.724 28 H SER 4 H SER 4 -12.454 9.327 -2.689 29 HA SER 4 HA SER 4 -10.088 7.758 -2.168 30 1HB SER 4 1HB SER 4 -10.403 10.767 -2.357 31 2HB SER 4 2HB SER 4 -8.890 9.863 -2.439 32 HG SER 4 HG SER 4 -10.671 8.931 -4.247 33 H ILE 5 H ILE 5 -9.135 7.513 -0.211 34 HA ILE 5 HA ILE 5 -10.452 8.835 2.069 35 HB ILE 5 HB ILE 5 -9.680 5.911 1.899 36 1HG1 ILE 5 1HG1 ILE 5 -12.422 7.195 1.892 37 2HG1 ILE 5 2HG1 ILE 5 -11.636 6.466 0.497 38 1HG2 ILE 5 1HG2 ILE 5 -9.496 6.788 4.160 39 2HG2 ILE 5 2HG2 ILE 5 -10.865 5.685 4.028 40 3HG2 ILE 5 3HG2 ILE 5 -11.135 7.427 4.059 41 1HD1 ILE 5 1HD1 ILE 5 -11.683 4.296 1.596 42 2HD1 ILE 5 2HD1 ILE 5 -13.301 4.984 1.468 43 3HD1 ILE 5 3HD1 ILE 5 -12.445 5.021 3.010 44 HA PRO 6 HA PRO 6 -6.279 9.746 3.285 45 1HB PRO 6 1HB PRO 6 -6.690 10.241 5.932 46 2HB PRO 6 2HB PRO 6 -7.109 11.384 4.652 47 1HG PRO 6 1HG PRO 6 -8.864 9.478 6.141 48 2HG PRO 6 2HG PRO 6 -9.185 11.154 5.657 49 1HD PRO 6 1HD PRO 6 -10.171 9.026 4.307 50 2HD PRO 6 2HD PRO 6 -9.759 10.555 3.512 51 H ILE 7 H ILE 7 -4.565 8.964 4.616 52 HA ILE 7 HA ILE 7 -4.517 6.165 4.713 53 HB ILE 7 HB ILE 7 -2.519 7.540 4.326 54 1HG1 ILE 7 1HG1 ILE 7 -0.961 6.194 5.670 55 2HG1 ILE 7 2HG1 ILE 7 -2.287 5.714 6.727 56 1HG2 ILE 7 1HG2 ILE 7 -2.686 8.169 7.268 57 2HG2 ILE 7 2HG2 ILE 7 -2.943 9.307 5.945 58 3HG2 ILE 7 3HG2 ILE 7 -1.350 8.591 6.195 59 1HD1 ILE 7 1HD1 ILE 7 -2.043 5.073 3.798 60 2HD1 ILE 7 2HD1 ILE 7 -3.364 4.582 4.860 61 3HD1 ILE 7 3HD1 ILE 7 -1.735 3.967 5.138 62 H THR 8 H THR 8 -5.274 8.511 7.182 63 HA THR 8 HA THR 8 -4.817 6.922 9.453 64 HB THR 8 HB THR 8 -5.171 9.351 9.583 65 HG1 THR 8 HG1 THR 8 -6.886 7.649 11.077 66 1HG2 THR 8 1HG2 THR 8 -7.453 10.276 9.468 67 2HG2 THR 8 2HG2 THR 8 -8.048 8.706 8.928 68 3HG2 THR 8 3HG2 THR 8 -6.921 9.616 7.921 69 H GLU 9 H GLU 9 -7.207 6.710 7.038 70 HA GLU 9 HA GLU 9 -8.915 5.015 8.712 71 1HB GLU 9 1HB GLU 9 -9.313 6.449 6.110 72 2HB GLU 9 2HB GLU 9 -10.335 5.079 6.522 73 1HG GLU 9 1HG GLU 9 -9.986 7.490 8.281 74 2HG GLU 9 2HG GLU 9 -11.282 7.312 7.093 75 H VAL 10 H VAL 10 -7.154 5.039 5.633 76 HA VAL 10 HA VAL 10 -7.968 2.404 4.936 77 HB VAL 10 HB VAL 10 -5.760 4.112 3.786 78 1HG1 VAL 10 1HG1 VAL 10 -7.041 1.610 2.690 79 2HG1 VAL 10 2HG1 VAL 10 -5.391 1.754 3.294 80 3HG1 VAL 10 3HG1 VAL 10 -5.877 2.630 1.842 81 1HG2 VAL 10 1HG2 VAL 10 -7.948 5.134 3.564 82 2HG2 VAL 10 2HG2 VAL 10 -8.604 3.638 2.899 83 3HG2 VAL 10 3HG2 VAL 10 -7.395 4.547 1.995 84 H LEU 11 H LEU 11 -5.131 3.728 6.549 85 HA LEU 11 HA LEU 11 -3.418 1.558 6.330 86 1HB LEU 11 1HB LEU 11 -2.461 3.486 7.177 87 2HB LEU 11 2HB LEU 11 -3.744 3.743 8.341 88 HG LEU 11 HG LEU 11 -2.891 1.845 9.670 89 1HD1 LEU 11 1HD1 LEU 11 -1.812 0.582 7.899 90 2HD1 LEU 11 2HD1 LEU 11 -0.666 0.949 9.189 91 3HD1 LEU 11 3HD1 LEU 11 -0.624 1.867 7.684 92 1HD2 LEU 11 1HD2 LEU 11 -2.231 4.112 10.220 93 2HD2 LEU 11 2HD2 LEU 11 -0.884 4.017 9.084 94 3HD2 LEU 11 3HD2 LEU 11 -0.900 2.995 10.522 95 HA PRO 12 HA PRO 12 -5.003 -0.384 10.425 96 1HB PRO 12 1HB PRO 12 -7.324 0.545 11.511 97 2HB PRO 12 2HB PRO 12 -5.725 1.152 11.956 98 1HG PRO 12 1HG PRO 12 -7.730 2.309 10.058 99 2HG PRO 12 2HG PRO 12 -6.731 3.131 11.272 100 1HD PRO 12 1HD PRO 12 -6.095 3.133 8.654 101 2HD PRO 12 2HD PRO 12 -4.863 3.119 9.927 102 H ARG 13 H ARG 13 -7.512 0.759 8.200 103 HA ARG 13 HA ARG 13 -9.140 -1.585 8.675 104 1HB ARG 13 1HB ARG 13 -9.507 0.708 6.745 105 2HB ARG 13 2HB ARG 13 -10.704 -0.519 7.123 106 1HG ARG 13 1HG ARG 13 -10.808 0.247 9.424 107 2HG ARG 13 2HG ARG 13 -9.554 1.444 9.095 108 1HD ARG 13 1HD ARG 13 -11.061 2.466 7.402 109 2HD ARG 13 2HD ARG 13 -12.317 1.332 7.894 110 HE ARG 13 HE ARG 13 -11.247 3.548 9.504 111 1HH1 ARG 13 1HH1 ARG 13 -13.629 1.028 9.002 112 2HH1 ARG 13 2HH1 ARG 13 -14.684 1.597 10.266 113 1HH2 ARG 13 1HH2 ARG 13 -12.631 4.304 11.160 114 2HH2 ARG 13 2HH2 ARG 13 -14.104 3.455 11.500 115 H ALA 14 H ALA 14 -6.426 -1.167 6.934 116 HA ALA 14 HA ALA 14 -7.210 -2.446 4.472 117 1HB ALA 14 1HB ALA 14 -4.450 -1.899 5.567 118 2HB ALA 14 2HB ALA 14 -5.370 -0.834 4.503 119 3HB ALA 14 3HB ALA 14 -4.835 -2.411 3.923 120 H VAL 15 H VAL 15 -6.187 -4.439 3.727 121 HA VAL 15 HA VAL 15 -5.741 -6.377 5.907 122 HB VAL 15 HB VAL 15 -6.743 -8.112 4.437 123 1HG1 VAL 15 1HG1 VAL 15 -9.087 -7.416 4.734 124 2HG1 VAL 15 2HG1 VAL 15 -8.539 -5.776 5.081 125 3HG1 VAL 15 3HG1 VAL 15 -8.107 -7.098 6.165 126 1HG2 VAL 15 1HG2 VAL 15 -8.082 -7.424 2.505 127 2HG2 VAL 15 2HG2 VAL 15 -6.377 -7.028 2.283 128 3HG2 VAL 15 3HG2 VAL 15 -7.528 -5.763 2.716 129 H GLY 16 H GLY 16 -4.306 -4.759 3.458 130 1HA GLY 16 1HA GLY 16 -2.063 -6.539 3.367 131 2HA GLY 16 2HA GLY 16 -2.935 -6.455 1.839 132 H SER 17 H SER 17 -0.251 -5.560 2.188 133 HA SER 17 HA SER 17 -0.604 -2.811 1.353 134 1HB SER 17 1HB SER 17 1.087 -3.498 3.764 135 2HB SER 17 2HB SER 17 0.991 -1.912 3.002 136 HG SER 17 HG SER 17 -1.483 -2.725 3.514 137 H LEU 18 H LEU 18 0.725 -2.341 -0.238 138 HA LEU 18 HA LEU 18 3.115 -4.009 -0.620 139 1HB LEU 18 1HB LEU 18 1.224 -2.690 -2.497 140 2HB LEU 18 2HB LEU 18 2.906 -2.799 -2.975 141 HG LEU 18 HG LEU 18 1.208 -5.165 -2.197 142 1HD1 LEU 18 1HD1 LEU 18 1.198 -5.699 -4.586 143 2HD1 LEU 18 2HD1 LEU 18 2.027 -4.180 -4.927 144 3HD1 LEU 18 3HD1 LEU 18 0.392 -4.163 -4.265 145 1HD2 LEU 18 1HD2 LEU 18 3.024 -6.482 -3.105 146 2HD2 LEU 18 2HD2 LEU 18 3.623 -5.435 -1.819 147 3HD2 LEU 18 3HD2 LEU 18 3.916 -5.015 -3.508 148 H THR 19 H THR 19 4.951 -3.061 -0.097 149 HA THR 19 HA THR 19 5.090 -0.155 0.107 150 HB THR 19 HB THR 19 7.203 -2.176 0.872 151 HG1 THR 19 HG1 THR 19 5.707 -2.694 2.320 152 1HG2 THR 19 1HG2 THR 19 6.738 0.686 1.720 153 2HG2 THR 19 2HG2 THR 19 8.008 0.121 0.635 154 3HG2 THR 19 3HG2 THR 19 8.010 -0.372 2.329 155 H PHE 20 H PHE 20 5.707 0.919 -1.645 156 HA PHE 20 HA PHE 20 7.579 -0.358 -3.520 157 1HB PHE 20 1HB PHE 20 5.354 1.614 -3.898 158 2HB PHE 20 2HB PHE 20 6.697 1.601 -5.031 159 HD1 PHE 20 HD1 PHE 20 6.300 0.494 -6.957 160 HD2 PHE 20 HD2 PHE 20 4.520 -0.946 -3.378 161 HE1 PHE 20 HE1 PHE 20 5.218 -1.307 -8.230 162 HE2 PHE 20 HE2 PHE 20 3.434 -2.755 -4.648 163 HZ PHE 20 HZ PHE 20 3.779 -2.929 -7.071 164 H ASP 21 H ASP 21 9.188 0.917 -4.483 165 HA ASP 21 HA ASP 21 10.358 2.835 -2.654 166 1HB ASP 21 1HB ASP 21 11.786 1.082 -3.545 167 2HB ASP 21 2HB ASP 21 11.374 1.536 -5.193 168 H GLU 22 H GLU 22 11.392 4.804 -3.565 169 HA GLU 22 HA GLU 22 9.517 6.473 -4.817 170 1HB GLU 22 1HB GLU 22 11.477 8.052 -4.986 171 2HB GLU 22 2HB GLU 22 11.139 7.441 -3.372 172 1HG GLU 22 1HG GLU 22 12.934 5.786 -3.645 173 2HG GLU 22 2HG GLU 22 13.289 6.454 -5.235 174 H ASN 23 H ASN 23 11.991 4.388 -6.110 175 HA ASN 23 HA ASN 23 11.797 5.549 -8.770 176 1HB ASN 23 1HB ASN 23 13.362 3.169 -7.741 177 2HB ASN 23 2HB ASN 23 13.457 3.818 -9.370 178 1HD2 ASN 23 1HD2 ASN 23 14.260 4.318 -6.038 179 2HD2 ASN 23 2HD2 ASN 23 15.387 5.619 -6.291 180 H TYR 24 H TYR 24 9.702 3.930 -7.148 181 HA TYR 24 HA TYR 24 7.895 2.685 -7.638 182 1HB TYR 24 1HB TYR 24 8.776 3.113 -10.496 183 2HB TYR 24 2HB TYR 24 7.198 2.503 -9.999 184 HD1 TYR 24 HD1 TYR 24 5.759 4.004 -8.520 185 HD2 TYR 24 HD2 TYR 24 9.169 5.419 -10.632 186 HE1 TYR 24 HE1 TYR 24 4.941 6.309 -8.284 187 HE2 TYR 24 HE2 TYR 24 8.357 7.731 -10.407 188 HH TYR 24 HH TYR 24 5.970 8.635 -8.267 189 H ASN 25 H ASN 25 10.195 1.288 -6.925 190 HA ASN 25 HA ASN 25 9.702 -1.253 -8.334 191 1HB ASN 25 1HB ASN 25 12.123 -0.479 -6.680 192 2HB ASN 25 2HB ASN 25 11.866 -2.045 -7.442 193 1HD2 ASN 25 1HD2 ASN 25 12.895 1.183 -7.851 194 2HD2 ASN 25 2HD2 ASN 25 13.350 1.072 -9.514 195 H LEU 26 H LEU 26 9.206 -3.079 -7.054 196 HA LEU 26 HA LEU 26 7.844 -2.486 -4.635 197 1HB LEU 26 1HB LEU 26 7.052 -4.230 -6.089 198 2HB LEU 26 2HB LEU 26 8.568 -5.096 -5.956 199 HG LEU 26 HG LEU 26 8.120 -5.592 -3.619 200 1HD1 LEU 26 1HD1 LEU 26 5.573 -4.045 -4.051 201 2HD1 LEU 26 2HD1 LEU 26 6.919 -3.584 -3.008 202 3HD1 LEU 26 3HD1 LEU 26 5.953 -5.009 -2.624 203 1HD2 LEU 26 1HD2 LEU 26 6.207 -7.075 -3.927 204 2HD2 LEU 26 2HD2 LEU 26 7.281 -7.121 -5.325 205 3HD2 LEU 26 3HD2 LEU 26 5.771 -6.215 -5.403 206 H LEU 27 H LEU 27 8.540 -2.498 -2.614 207 HA LEU 27 HA LEU 27 11.264 -3.433 -2.048 208 1HB LEU 27 1HB LEU 27 9.430 -1.625 -0.472 209 2HB LEU 27 2HB LEU 27 11.051 -2.079 0.013 210 HG LEU 27 HG LEU 27 10.410 -0.530 -2.496 211 1HD1 LEU 27 1HD1 LEU 27 11.273 1.415 -1.269 212 2HD1 LEU 27 2HD1 LEU 27 11.369 0.437 0.196 213 3HD1 LEU 27 3HD1 LEU 27 9.801 0.771 -0.541 214 1HD2 LEU 27 1HD2 LEU 27 12.493 -1.770 -2.622 215 2HD2 LEU 27 2HD2 LEU 27 13.006 -1.105 -1.071 216 3HD2 LEU 27 3HD2 LEU 27 12.818 -0.044 -2.466 217 H ASP 28 H ASP 28 7.980 -3.474 -0.692 218 HA ASP 28 HA ASP 28 8.576 -6.010 0.649 219 1HB ASP 28 1HB ASP 28 9.048 -4.403 2.362 220 2HB ASP 28 2HB ASP 28 7.586 -3.495 1.997 221 H THR 29 H THR 29 6.900 -7.398 0.717 222 HA THR 29 HA THR 29 4.258 -6.381 -0.112 223 HB THR 29 HB THR 29 5.296 -9.188 -0.525 224 HG1 THR 29 HG1 THR 29 6.368 -7.344 -1.735 225 1HG2 THR 29 1HG2 THR 29 2.878 -9.021 -0.481 226 2HG2 THR 29 2HG2 THR 29 3.423 -9.312 -2.133 227 3HG2 THR 29 3HG2 THR 29 2.922 -7.693 -1.640 228 H SER 30 H SER 30 2.778 -6.478 1.470 229 HA SER 30 HA SER 30 2.978 -8.649 3.440 230 1HB SER 30 1HB SER 30 2.496 -5.723 4.049 231 2HB SER 30 2HB SER 30 2.374 -7.031 5.224 232 HG SER 30 HG SER 30 4.696 -6.203 3.795 233 H GLY 31 H GLY 31 0.991 -9.208 4.484 234 1HA GLY 31 1HA GLY 31 -1.286 -9.423 4.711 235 2HA GLY 31 2HA GLY 31 -1.469 -7.910 3.838 236 H VAL 32 H VAL 32 -3.276 -8.801 2.767 237 HA VAL 32 HA VAL 32 -3.266 -11.161 1.250 238 HB VAL 32 HB VAL 32 -4.879 -8.655 0.729 239 1HG1 VAL 32 1HG1 VAL 32 -4.936 -10.268 -1.114 240 2HG1 VAL 32 2HG1 VAL 32 -6.497 -10.152 -0.302 241 3HG1 VAL 32 3HG1 VAL 32 -5.441 -11.531 0.010 242 1HG2 VAL 32 1HG2 VAL 32 -5.104 -9.400 3.040 243 2HG2 VAL 32 2HG2 VAL 32 -5.500 -11.028 2.485 244 3HG2 VAL 32 3HG2 VAL 32 -6.592 -9.687 2.137 245 H ALA 33 H ALA 33 -1.768 -8.153 0.662 246 HA ALA 33 HA ALA 33 -1.765 -8.072 -2.147 247 1HB ALA 33 1HB ALA 33 0.054 -6.503 -1.941 248 2HB ALA 33 2HB ALA 33 0.349 -7.008 -0.279 249 3HB ALA 33 3HB ALA 33 -1.149 -6.173 -0.694 250 H LYS 34 H LYS 34 -0.232 -10.214 -0.003 251 HA LYS 34 HA LYS 34 2.090 -10.798 -1.540 252 1HB LYS 34 1HB LYS 34 0.658 -12.433 0.562 253 2HB LYS 34 2HB LYS 34 2.240 -12.805 -0.099 254 1HG LYS 34 1HG LYS 34 3.130 -10.732 0.798 255 2HG LYS 34 2HG LYS 34 1.538 -10.312 1.429 256 1HD LYS 34 1HD LYS 34 3.201 -12.698 2.242 257 2HD LYS 34 2HD LYS 34 2.973 -11.223 3.184 258 1HE LYS 34 1HE LYS 34 0.523 -11.708 3.209 259 2HE LYS 34 2HE LYS 34 0.871 -13.251 2.432 260 1HZ LYS 34 1HZ LYS 34 2.315 -13.780 4.355 261 2HZ LYS 34 2HZ LYS 34 0.680 -13.596 4.770 262 3HZ LYS 34 3HZ LYS 34 1.782 -12.357 5.110 263 H VAL 35 H VAL 35 -1.194 -12.074 -1.437 264 HA VAL 35 HA VAL 35 -0.499 -14.133 -3.383 265 HB VAL 35 HB VAL 35 -2.801 -14.953 -3.104 266 1HG1 VAL 35 1HG1 VAL 35 -1.077 -15.836 -1.659 267 2HG1 VAL 35 2HG1 VAL 35 -2.585 -15.684 -0.756 268 3HG1 VAL 35 3HG1 VAL 35 -1.297 -14.499 -0.528 269 1HG2 VAL 35 1HG2 VAL 35 -3.075 -12.702 -1.111 270 2HG2 VAL 35 2HG2 VAL 35 -4.240 -14.004 -1.353 271 3HG2 VAL 35 3HG2 VAL 35 -3.929 -12.847 -2.648 272 H ILE 36 H ILE 36 -1.964 -11.029 -3.209 273 HA ILE 36 HA ILE 36 -3.365 -11.103 -5.689 274 HB ILE 36 HB ILE 36 -2.362 -8.857 -3.942 275 1HG1 ILE 36 1HG1 ILE 36 -5.183 -9.702 -4.630 276 2HG1 ILE 36 2HG1 ILE 36 -4.311 -10.286 -3.217 277 1HG2 ILE 36 1HG2 ILE 36 -2.317 -8.069 -6.256 278 2HG2 ILE 36 2HG2 ILE 36 -3.589 -7.279 -5.327 279 3HG2 ILE 36 3HG2 ILE 36 -3.996 -8.570 -6.458 280 1HD1 ILE 36 1HD1 ILE 36 -4.992 -7.414 -3.797 281 2HD1 ILE 36 2HD1 ILE 36 -4.146 -8.013 -2.371 282 3HD1 ILE 36 3HD1 ILE 36 -5.825 -8.469 -2.655 283 H GLU 37 H GLU 37 -2.711 -10.304 -7.726 284 HA GLU 37 HA GLU 37 0.041 -10.712 -8.346 285 1HB GLU 37 1HB GLU 37 -0.637 -10.039 -10.650 286 2HB GLU 37 2HB GLU 37 -1.593 -11.348 -9.975 287 1HG GLU 37 1HG GLU 37 -3.390 -9.779 -9.461 288 2HG GLU 37 2HG GLU 37 -2.428 -8.458 -10.127 289 H LYS 38 H LYS 38 1.629 -9.267 -8.822 290 HA LYS 38 HA LYS 38 1.601 -6.849 -7.416 291 1HB LYS 38 1HB LYS 38 3.490 -8.112 -9.350 292 2HB LYS 38 2HB LYS 38 3.731 -6.427 -8.915 293 1HG LYS 38 1HG LYS 38 5.069 -7.984 -7.552 294 2HG LYS 38 2HG LYS 38 3.964 -7.001 -6.593 295 1HD LYS 38 1HD LYS 38 2.400 -8.869 -6.466 296 2HD LYS 38 2HD LYS 38 3.483 -9.853 -7.449 297 1HE LYS 38 1HE LYS 38 4.189 -8.668 -4.767 298 2HE LYS 38 2HE LYS 38 3.639 -10.323 -5.016 299 1HZ LYS 38 1HZ LYS 38 5.572 -10.762 -6.358 300 2HZ LYS 38 2HZ LYS 38 6.066 -10.139 -4.858 301 3HZ LYS 38 3HZ LYS 38 6.084 -9.151 -6.236 302 H SER 39 H SER 39 1.434 -7.432 -10.922 303 HA SER 39 HA SER 39 0.277 -6.325 -12.543 304 1HB SER 39 1HB SER 39 -0.914 -4.744 -10.250 305 2HB SER 39 2HB SER 39 -1.553 -4.838 -11.892 306 HG SER 39 HG SER 39 -1.522 -6.785 -9.861 307 HA PRO 40 HA PRO 40 2.349 -2.417 -13.418 308 1HB PRO 40 1HB PRO 40 0.016 -1.264 -14.718 309 2HB PRO 40 2HB PRO 40 1.507 -1.859 -15.448 310 1HG PRO 40 1HG PRO 40 -0.887 -3.093 -15.763 311 2HG PRO 40 2HG PRO 40 0.659 -3.962 -15.778 312 1HD PRO 40 1HD PRO 40 -1.340 -3.684 -13.562 313 2HD PRO 40 2HD PRO 40 -0.429 -5.118 -14.084 314 H ILE 41 H ILE 41 1.084 -2.521 -10.850 315 HA ILE 41 HA ILE 41 -0.642 -0.364 -10.331 316 HB ILE 41 HB ILE 41 1.301 -1.766 -8.488 317 1HG1 ILE 41 1HG1 ILE 41 -1.677 -2.070 -8.915 318 2HG1 ILE 41 2HG1 ILE 41 -0.437 -3.221 -9.403 319 1HG2 ILE 41 1HG2 ILE 41 -0.023 -0.820 -6.643 320 2HG2 ILE 41 2HG2 ILE 41 -0.944 0.129 -7.810 321 3HG2 ILE 41 3HG2 ILE 41 0.780 0.429 -7.594 322 1HD1 ILE 41 1HD1 ILE 41 -1.541 -3.977 -7.397 323 2HD1 ILE 41 2HD1 ILE 41 -1.156 -2.460 -6.582 324 3HD1 ILE 41 3HD1 ILE 41 0.140 -3.568 -7.041 325 H ALA 42 H ALA 42 2.841 -0.561 -10.555 326 HA ALA 42 HA ALA 42 3.566 1.783 -9.231 327 1HB ALA 42 1HB ALA 42 4.914 0.518 -11.614 328 2HB ALA 42 2HB ALA 42 5.169 0.073 -9.926 329 3HB ALA 42 3HB ALA 42 5.643 1.672 -10.497 330 H GLU 43 H GLU 43 2.507 1.265 -12.549 331 HA GLU 43 HA GLU 43 2.991 3.883 -13.501 332 1HB GLU 43 1HB GLU 43 2.538 1.854 -14.912 333 2HB GLU 43 2HB GLU 43 0.851 1.958 -14.432 334 1HG GLU 43 1HG GLU 43 1.214 2.921 -16.632 335 2HG GLU 43 2HG GLU 43 0.665 4.139 -15.479 336 H ILE 44 H ILE 44 0.271 2.397 -11.831 337 HA ILE 44 HA ILE 44 -1.397 4.726 -12.125 338 HB ILE 44 HB ILE 44 -1.848 2.495 -10.146 339 1HG1 ILE 44 1HG1 ILE 44 -1.437 1.490 -12.361 340 2HG1 ILE 44 2HG1 ILE 44 -3.122 1.320 -11.883 341 1HG2 ILE 44 1HG2 ILE 44 -4.201 3.078 -10.478 342 2HG2 ILE 44 2HG2 ILE 44 -3.730 4.327 -11.631 343 3HG2 ILE 44 3HG2 ILE 44 -3.266 4.472 -9.936 344 1HD1 ILE 44 1HD1 ILE 44 -2.035 3.359 -13.813 345 2HD1 ILE 44 2HD1 ILE 44 -3.726 3.173 -13.349 346 3HD1 ILE 44 3HD1 ILE 44 -2.907 1.887 -14.236 347 H ILE 45 H ILE 45 0.907 3.492 -9.824 348 HA ILE 45 HA ILE 45 0.240 5.033 -7.575 349 HB ILE 45 HB ILE 45 2.945 4.036 -8.494 350 1HG1 ILE 45 1HG1 ILE 45 1.021 3.015 -6.395 351 2HG1 ILE 45 2HG1 ILE 45 1.342 2.265 -7.956 352 1HG2 ILE 45 1HG2 ILE 45 3.256 5.952 -7.037 353 2HG2 ILE 45 2HG2 ILE 45 3.726 4.467 -6.213 354 3HG2 ILE 45 3HG2 ILE 45 2.185 5.234 -5.834 355 1HD1 ILE 45 1HD1 ILE 45 2.496 1.106 -6.169 356 2HD1 ILE 45 2HD1 ILE 45 3.323 2.597 -5.715 357 3HD1 ILE 45 3HD1 ILE 45 3.648 1.848 -7.280 358 H ARG 46 H ARG 46 2.430 5.711 -10.284 359 HA ARG 46 HA ARG 46 3.207 8.271 -9.351 360 1HB ARG 46 1HB ARG 46 4.043 8.572 -11.688 361 2HB ARG 46 2HB ARG 46 4.657 7.146 -10.869 362 1HG ARG 46 1HG ARG 46 2.709 5.945 -12.078 363 2HG ARG 46 2HG ARG 46 2.719 7.364 -13.123 364 1HD ARG 46 1HD ARG 46 5.018 5.487 -12.597 365 2HD ARG 46 2HD ARG 46 4.080 5.614 -14.083 366 HE ARG 46 HE ARG 46 5.773 7.818 -13.077 367 1HH1 ARG 46 1HH1 ARG 46 4.558 5.809 -15.682 368 2HH1 ARG 46 2HH1 ARG 46 5.587 6.534 -16.880 369 1HH2 ARG 46 1HH2 ARG 46 7.105 8.774 -14.656 370 2HH2 ARG 46 2HH2 ARG 46 7.027 8.224 -16.301 371 H LYS 47 H LYS 47 0.703 7.181 -11.603 372 HA LYS 47 HA LYS 47 -0.219 9.716 -12.377 373 1HB LYS 47 1HB LYS 47 -1.762 7.135 -12.046 374 2HB LYS 47 2HB LYS 47 -2.384 8.572 -12.845 375 1HG LYS 47 1HG LYS 47 -0.509 8.410 -14.466 376 2HG LYS 47 2HG LYS 47 -0.052 6.882 -13.711 377 1HD LYS 47 1HD LYS 47 -2.201 5.920 -14.290 378 2HD LYS 47 2HD LYS 47 -2.737 7.463 -14.961 379 1HE LYS 47 1HE LYS 47 -0.771 7.307 -16.538 380 2HE LYS 47 2HE LYS 47 -0.567 5.649 -15.982 381 1HZ LYS 47 1HZ LYS 47 -3.053 6.719 -17.207 382 2HZ LYS 47 2HZ LYS 47 -2.748 5.101 -16.790 383 3HZ LYS 47 3HZ LYS 47 -1.870 5.836 -18.042 384 H SER 48 H SER 48 -1.232 7.625 -9.690 385 HA SER 48 HA SER 48 -3.124 9.440 -8.632 386 1HB SER 48 1HB SER 48 -1.614 7.266 -7.170 387 2HB SER 48 2HB SER 48 -3.138 8.004 -6.685 388 HG SER 48 HG SER 48 -2.656 6.380 -8.964 389 H ASN 49 H ASN 49 0.315 9.209 -8.423 390 HA ASN 49 HA ASN 49 0.706 10.693 -6.038 391 1HB ASN 49 1HB ASN 49 2.532 9.387 -6.900 392 2HB ASN 49 2HB ASN 49 2.464 10.213 -8.452 393 1HD2 ASN 49 1HD2 ASN 49 3.550 12.099 -8.729 394 2HD2 ASN 49 2HD2 ASN 49 4.535 12.829 -7.504 395 H ALA 50 H ALA 50 0.247 11.537 -9.396 396 HA ALA 50 HA ALA 50 0.729 14.335 -9.064 397 1HB ALA 50 1HB ALA 50 0.921 13.191 -11.238 398 2HB ALA 50 2HB ALA 50 -0.187 14.561 -11.298 399 3HB ALA 50 3HB ALA 50 -0.820 12.916 -11.230 400 H GLU 51 H GLU 51 -2.029 12.222 -8.821 401 HA GLU 51 HA GLU 51 -4.007 14.277 -8.796 402 1HB GLU 51 1HB GLU 51 -4.155 11.396 -7.898 403 2HB GLU 51 2HB GLU 51 -5.535 12.468 -8.085 404 1HG GLU 51 1HG GLU 51 -3.674 11.579 -10.277 405 2HG GLU 51 2HG GLU 51 -5.307 10.978 -9.983 406 H LEU 52 H LEU 52 -2.259 12.523 -6.258 407 HA LEU 52 HA LEU 52 -3.569 14.213 -4.261 408 1HB LEU 52 1HB LEU 52 -4.026 12.219 -2.850 409 2HB LEU 52 2HB LEU 52 -4.984 12.297 -4.316 410 HG LEU 52 HG LEU 52 -3.352 10.671 -5.352 411 1HD1 LEU 52 1HD1 LEU 52 -1.496 10.981 -3.781 412 2HD1 LEU 52 2HD1 LEU 52 -2.011 9.295 -3.878 413 3HD1 LEU 52 3HD1 LEU 52 -2.481 10.284 -2.494 414 1HD2 LEU 52 1HD2 LEU 52 -4.362 8.756 -4.296 415 2HD2 LEU 52 2HD2 LEU 52 -5.552 10.035 -4.547 416 3HD2 LEU 52 3HD2 LEU 52 -4.881 9.756 -2.940 417 H GLY 53 H GLY 53 -2.704 13.501 -1.995 418 1HA GLY 53 1HA GLY 53 0.099 12.627 -2.162 419 2HA GLY 53 2HA GLY 53 -0.344 14.022 -1.185 420 H ARG 54 H ARG 54 -2.313 13.485 0.319 421 HA ARG 54 HA ARG 54 -1.335 11.254 1.939 422 1HB ARG 54 1HB ARG 54 -1.644 13.747 2.687 423 2HB ARG 54 2HB ARG 54 -3.327 13.288 2.881 424 1HG ARG 54 1HG ARG 54 -1.369 11.497 4.152 425 2HG ARG 54 2HG ARG 54 -1.475 13.123 4.825 426 1HD ARG 54 1HD ARG 54 -3.760 11.186 4.467 427 2HD ARG 54 2HD ARG 54 -2.971 11.594 5.990 428 HE ARG 54 HE ARG 54 -4.359 13.650 4.407 429 1HH1 ARG 54 1HH1 ARG 54 -3.894 11.907 7.408 430 2HH1 ARG 54 2HH1 ARG 54 -5.012 12.890 8.304 431 1HH2 ARG 54 1HH2 ARG 54 -5.829 14.951 5.576 432 2HH2 ARG 54 2HH2 ARG 54 -6.120 14.615 7.262 433 H LEU 55 H LEU 55 -3.597 11.522 -0.349 434 HA LEU 55 HA LEU 55 -5.664 10.017 1.092 435 1HB LEU 55 1HB LEU 55 -5.745 11.248 -1.668 436 2HB LEU 55 2HB LEU 55 -7.047 10.318 -0.951 437 HG LEU 55 HG LEU 55 -7.677 12.567 -0.726 438 1HD1 LEU 55 1HD1 LEU 55 -7.712 12.960 1.681 439 2HD1 LEU 55 2HD1 LEU 55 -6.464 11.735 1.900 440 3HD1 LEU 55 3HD1 LEU 55 -8.053 11.274 1.290 441 1HD2 LEU 55 1HD2 LEU 55 -5.541 13.611 -1.224 442 2HD2 LEU 55 2HD2 LEU 55 -4.931 13.156 0.368 443 3HD2 LEU 55 3HD2 LEU 55 -6.256 14.311 0.227 444 H GLY 56 H GLY 56 -6.640 8.157 -0.079 445 1HA GLY 56 1HA GLY 56 -4.523 6.641 -1.463 446 2HA GLY 56 2HA GLY 56 -5.747 5.921 -0.430 447 H TYR 57 H TYR 57 -5.026 7.208 -3.552 448 HA TYR 57 HA TYR 57 -7.642 6.904 -4.667 449 1HB TYR 57 1HB TYR 57 -5.867 8.401 -5.607 450 2HB TYR 57 2HB TYR 57 -4.961 6.972 -6.079 451 HD1 TYR 57 HD1 TYR 57 -7.987 8.969 -6.734 452 HD2 TYR 57 HD2 TYR 57 -5.553 5.732 -8.038 453 HE1 TYR 57 HE1 TYR 57 -9.160 8.962 -8.894 454 HE2 TYR 57 HE2 TYR 57 -6.718 5.716 -10.199 455 HH TYR 57 HH TYR 57 -8.637 8.221 -11.277 456 H SER 58 H SER 58 -8.512 5.141 -5.689 457 HA SER 58 HA SER 58 -7.406 2.593 -5.101 458 1HB SER 58 1HB SER 58 -9.331 1.874 -6.697 459 2HB SER 58 2HB SER 58 -9.747 2.648 -5.167 460 HG SER 58 HG SER 58 -9.618 3.866 -7.729 461 H VAL 59 H VAL 59 -5.645 1.901 -6.090 462 HA VAL 59 HA VAL 59 -5.173 2.619 -8.885 463 HB VAL 59 HB VAL 59 -2.885 1.781 -8.526 464 1HG1 VAL 59 1HG1 VAL 59 -3.798 3.717 -6.402 465 2HG1 VAL 59 2HG1 VAL 59 -3.433 4.124 -8.079 466 3HG1 VAL 59 3HG1 VAL 59 -2.153 3.541 -7.014 467 1HG2 VAL 59 1HG2 VAL 59 -3.333 0.052 -6.872 468 2HG2 VAL 59 2HG2 VAL 59 -3.805 1.278 -5.693 469 3HG2 VAL 59 3HG2 VAL 59 -2.136 1.192 -6.259 470 H TYR 60 H TYR 60 -5.835 -0.095 -6.831 471 HA TYR 60 HA TYR 60 -6.005 -1.818 -9.205 472 1HB TYR 60 1HB TYR 60 -3.888 -2.341 -8.109 473 2HB TYR 60 2HB TYR 60 -4.698 -2.498 -6.558 474 HD1 TYR 60 HD1 TYR 60 -6.058 -4.476 -6.061 475 HD2 TYR 60 HD2 TYR 60 -3.956 -4.111 -9.741 476 HE1 TYR 60 HE1 TYR 60 -6.336 -6.887 -6.452 477 HE2 TYR 60 HE2 TYR 60 -4.234 -6.518 -10.142 478 HH TYR 60 HH TYR 60 -6.349 -8.456 -8.321 479 H GLU 61 H GLU 61 -8.036 -2.637 -9.327 480 HA GLU 61 HA GLU 61 -9.421 -3.039 -6.763 481 1HB GLU 61 1HB GLU 61 -10.621 -1.359 -7.972 482 2HB GLU 61 2HB GLU 61 -10.613 -2.328 -9.444 483 1HG GLU 61 1HG GLU 61 -12.225 -3.778 -8.654 484 2HG GLU 61 2HG GLU 61 -11.894 -3.398 -6.970 485 H ASP 62 H ASP 62 -10.201 -4.919 -6.276 486 HA ASP 62 HA ASP 62 -10.136 -7.090 -8.246 487 1HB ASP 62 1HB ASP 62 -8.189 -7.395 -6.874 488 2HB ASP 62 2HB ASP 62 -9.085 -7.028 -5.409 489 H ALA 63 H ALA 63 -11.506 -8.992 -7.328 490 HA ALA 63 HA ALA 63 -14.122 -8.014 -6.953 491 1HB ALA 63 1HB ALA 63 -13.094 -10.831 -6.640 492 2HB ALA 63 2HB ALA 63 -13.634 -10.094 -8.149 493 3HB ALA 63 3HB ALA 63 -14.781 -10.352 -6.833 494 H GLN 64 H GLN 64 -11.624 -8.966 -4.733 495 HA GLN 64 HA GLN 64 -13.575 -8.788 -2.531 496 1HB GLN 64 1HB GLN 64 -10.823 -10.008 -2.447 497 2HB GLN 64 2HB GLN 64 -11.993 -9.996 -1.142 498 1HG GLN 64 1HG GLN 64 -12.399 -12.077 -1.898 499 2HG GLN 64 2HG GLN 64 -13.477 -11.208 -2.985 500 1HE2 GLN 64 1HE2 GLN 64 -9.951 -11.348 -3.167 501 2HE2 GLN 64 2HE2 GLN 64 -9.887 -12.144 -4.699 502 H TYR 65 H TYR 65 -10.561 -7.474 -3.796 503 HA TYR 65 HA TYR 65 -10.488 -5.652 -1.482 504 1HB TYR 65 1HB TYR 65 -8.007 -6.848 -2.715 505 2HB TYR 65 2HB TYR 65 -8.145 -5.953 -1.203 506 HD1 TYR 65 HD1 TYR 65 -8.115 -9.178 -2.707 507 HD2 TYR 65 HD2 TYR 65 -9.570 -7.022 0.660 508 HE1 TYR 65 HE1 TYR 65 -8.469 -11.292 -1.506 509 HE2 TYR 65 HE2 TYR 65 -9.916 -9.130 1.869 510 HH TYR 65 HH TYR 65 -8.610 -12.070 0.849 511 H ILE 66 H ILE 66 -9.207 -3.721 -1.780 512 HA ILE 66 HA ILE 66 -8.740 -2.928 -4.561 513 HB ILE 66 HB ILE 66 -10.241 -1.271 -2.528 514 1HG1 ILE 66 1HG1 ILE 66 -11.128 -2.382 -5.197 515 2HG1 ILE 66 2HG1 ILE 66 -11.605 -3.011 -3.620 516 1HG2 ILE 66 1HG2 ILE 66 -9.342 -0.575 -5.323 517 2HG2 ILE 66 2HG2 ILE 66 -8.752 0.136 -3.820 518 3HG2 ILE 66 3HG2 ILE 66 -10.418 0.407 -4.328 519 1HD1 ILE 66 1HD1 ILE 66 -12.714 -0.892 -3.121 520 2HD1 ILE 66 2HD1 ILE 66 -13.350 -1.625 -4.594 521 3HD1 ILE 66 3HD1 ILE 66 -12.230 -0.268 -4.696 522 H GLY 67 H GLY 67 -6.809 -2.036 -4.787 523 1HA GLY 67 1HA GLY 67 -5.260 -1.376 -2.398 524 2HA GLY 67 2HA GLY 67 -4.634 -1.550 -4.032 525 H HIS 68 H HIS 68 -4.422 0.596 -1.957 526 HA HIS 68 HA HIS 68 -5.303 2.862 -3.621 527 1HB HIS 68 1HB HIS 68 -5.194 2.874 -0.594 528 2HB HIS 68 2HB HIS 68 -5.819 4.142 -1.635 529 HD1 HIS 68 HD1 HIS 68 -8.253 3.974 -2.345 530 HD2 HIS 68 HD2 HIS 68 -6.894 0.608 -0.314 531 HE1 HIS 68 HE1 HIS 68 -10.304 2.584 -1.882 532 HE2 HIS 68 HE2 HIS 68 -9.468 0.629 -0.519 533 H ALA 69 H ALA 69 -3.610 4.116 -4.233 534 HA ALA 69 HA ALA 69 -1.005 3.582 -3.068 535 1HB ALA 69 1HB ALA 69 -1.837 5.422 -5.308 536 2HB ALA 69 2HB ALA 69 -1.087 3.830 -5.455 537 3HB ALA 69 3HB ALA 69 -0.172 5.178 -4.777 538 H PHE 70 H PHE 70 -0.180 4.649 -1.433 539 HA PHE 70 HA PHE 70 -1.118 7.391 -0.901 540 1HB PHE 70 1HB PHE 70 -0.105 5.245 0.964 541 2HB PHE 70 2HB PHE 70 -0.235 6.933 1.443 542 HD1 PHE 70 HD1 PHE 70 -2.328 7.924 1.927 543 HD2 PHE 70 HD2 PHE 70 -2.115 3.943 0.454 544 HE1 PHE 70 HE1 PHE 70 -4.683 7.577 2.536 545 HE2 PHE 70 HE2 PHE 70 -4.470 3.588 1.058 546 HZ PHE 70 HZ PHE 70 -5.756 5.408 2.101 547 H LYS 71 H LYS 71 0.340 9.002 -0.719 548 HA LYS 71 HA LYS 71 3.083 8.443 -1.437 549 1HB LYS 71 1HB LYS 71 1.451 10.909 -1.042 550 2HB LYS 71 2HB LYS 71 3.197 11.039 -0.897 551 1HG LYS 71 1HG LYS 71 2.699 11.603 -3.113 552 2HG LYS 71 2HG LYS 71 3.329 9.961 -3.181 553 1HD LYS 71 1HD LYS 71 0.389 10.307 -2.931 554 2HD LYS 71 2HD LYS 71 1.133 10.688 -4.483 555 1HE LYS 71 1HE LYS 71 2.084 8.465 -4.611 556 2HE LYS 71 2HE LYS 71 1.458 8.077 -3.007 557 1HZ LYS 71 1HZ LYS 71 -0.764 8.203 -3.816 558 2HZ LYS 71 2HZ LYS 71 0.104 7.202 -4.869 559 3HZ LYS 71 3HZ LYS 71 -0.255 8.791 -5.321 560 H LYS 72 H LYS 72 4.666 8.089 -0.061 561 HA LYS 72 HA LYS 72 4.214 8.713 2.787 562 1HB LYS 72 1HB LYS 72 5.917 6.491 1.631 563 2HB LYS 72 2HB LYS 72 5.579 6.774 3.333 564 1HG LYS 72 1HG LYS 72 3.479 6.086 1.288 565 2HG LYS 72 2HG LYS 72 4.283 4.908 2.321 566 1HD LYS 72 1HD LYS 72 2.694 7.265 3.331 567 2HD LYS 72 2HD LYS 72 2.053 5.630 3.159 568 1HE LYS 72 1HE LYS 72 3.770 4.815 4.719 569 2HE LYS 72 2HE LYS 72 4.369 6.462 4.908 570 1HZ LYS 72 1HZ LYS 72 2.965 6.025 6.731 571 2HZ LYS 72 2HZ LYS 72 1.741 5.381 5.760 572 3HZ LYS 72 3HZ LYS 72 2.074 7.043 5.705 573 H ALA 73 H ALA 73 6.608 8.577 3.886 574 HA ALA 73 HA ALA 73 7.912 10.904 2.922 575 1HB ALA 73 1HB ALA 73 7.871 10.335 5.292 576 2HB ALA 73 2HB ALA 73 9.529 10.508 4.712 577 3HB ALA 73 3HB ALA 73 8.849 8.902 4.975 578 H GLY 74 H GLY 74 8.707 10.666 0.880 579 1HA GLY 74 1HA GLY 74 10.290 10.163 -0.710 580 2HA GLY 74 2HA GLY 74 11.244 9.422 0.565 581 H HIS 75 H HIS 75 8.056 8.215 0.216 582 HA HIS 75 HA HIS 75 8.916 5.999 -1.468 583 1HB HIS 75 1HB HIS 75 8.124 5.719 1.424 584 2HB HIS 75 2HB HIS 75 8.009 4.376 0.290 585 HD1 HIS 75 HD1 HIS 75 10.148 5.474 2.804 586 HD2 HIS 75 HD2 HIS 75 10.787 4.243 -1.114 587 HE1 HIS 75 HE1 HIS 75 12.565 4.771 2.694 588 HE2 HIS 75 HE2 HIS 75 12.877 3.864 0.362 589 H PHE 76 H PHE 76 7.048 4.379 -1.665 590 HA PHE 76 HA PHE 76 4.447 5.755 -1.632 591 1HB PHE 76 1HB PHE 76 5.610 4.118 -3.903 592 2HB PHE 76 2HB PHE 76 3.959 4.735 -3.846 593 HD1 PHE 76 HD1 PHE 76 3.678 7.284 -3.686 594 HD2 PHE 76 HD2 PHE 76 7.301 5.378 -4.845 595 HE1 PHE 76 HE1 PHE 76 4.422 9.362 -4.769 596 HE2 PHE 76 HE2 PHE 76 8.053 7.453 -5.928 597 HZ PHE 76 HZ PHE 76 6.613 9.450 -5.890 598 H ILE 77 H ILE 77 2.881 4.488 -0.703 599 HA ILE 77 HA ILE 77 3.371 1.587 -0.718 600 HB ILE 77 HB ILE 77 2.323 3.152 1.642 601 1HG1 ILE 77 1HG1 ILE 77 4.926 1.662 1.229 602 2HG1 ILE 77 2HG1 ILE 77 4.738 3.405 1.358 603 1HG2 ILE 77 1HG2 ILE 77 2.801 0.192 1.298 604 2HG2 ILE 77 2HG2 ILE 77 1.238 0.991 1.478 605 3HG2 ILE 77 3HG2 ILE 77 2.384 0.984 2.817 606 1HD1 ILE 77 1HD1 ILE 77 5.581 2.506 3.425 607 2HD1 ILE 77 2HD1 ILE 77 4.223 1.386 3.527 608 3HD1 ILE 77 3HD1 ILE 77 3.946 3.122 3.670 609 H VAL 78 H VAL 78 1.713 0.360 -1.262 610 HA VAL 78 HA VAL 78 -0.861 1.677 -1.778 611 HB VAL 78 HB VAL 78 0.206 -0.917 -2.908 612 1HG1 VAL 78 1HG1 VAL 78 -1.695 -0.754 -4.463 613 2HG1 VAL 78 2HG1 VAL 78 -2.278 0.655 -3.578 614 3HG1 VAL 78 3HG1 VAL 78 -2.214 -0.919 -2.785 615 1HG2 VAL 78 1HG2 VAL 78 1.467 0.962 -3.757 616 2HG2 VAL 78 2HG2 VAL 78 -0.023 1.817 -4.155 617 3HG2 VAL 78 3HG2 VAL 78 0.403 0.339 -5.019 618 H TYR 79 H TYR 79 -2.198 1.407 -0.109 619 HA TYR 79 HA TYR 79 -2.106 -1.037 1.461 620 1HB TYR 79 1HB TYR 79 -3.616 1.555 1.805 621 2HB TYR 79 2HB TYR 79 -3.780 0.181 2.887 622 HD1 TYR 79 HD1 TYR 79 -2.061 -0.344 4.495 623 HD2 TYR 79 HD2 TYR 79 -1.514 2.826 1.716 624 HE1 TYR 79 HE1 TYR 79 -0.127 0.451 5.788 625 HE2 TYR 79 HE2 TYR 79 0.422 3.624 2.994 626 HH TYR 79 HH TYR 79 1.928 1.786 5.399 627 H PHE 80 H PHE 80 -3.385 -2.687 1.084 628 HA PHE 80 HA PHE 80 -5.616 -2.386 -0.766 629 1HB PHE 80 1HB PHE 80 -4.146 -4.798 0.306 630 2HB PHE 80 2HB PHE 80 -5.586 -4.913 -0.693 631 HD1 PHE 80 HD1 PHE 80 -5.471 -4.714 -3.026 632 HD2 PHE 80 HD2 PHE 80 -2.085 -3.739 -0.642 633 HE1 PHE 80 HE1 PHE 80 -4.083 -4.598 -5.053 634 HE2 PHE 80 HE2 PHE 80 -0.692 -3.620 -2.663 635 HZ PHE 80 HZ PHE 80 -1.690 -4.049 -4.874 636 H THR 81 H THR 81 -7.567 -2.107 0.027 637 HA THR 81 HA THR 81 -8.203 -3.214 2.681 638 HB THR 81 HB THR 81 -10.143 -1.659 2.653 639 HG1 THR 81 HG1 THR 81 -10.664 -0.981 0.700 640 1HG2 THR 81 1HG2 THR 81 -8.853 0.424 2.939 641 2HG2 THR 81 2HG2 THR 81 -7.458 -0.357 2.191 642 3HG2 THR 81 3HG2 THR 81 -8.083 -0.954 3.728 643 HA PRO 82 HA PRO 82 -11.061 -6.063 0.766 644 1HB PRO 82 1HB PRO 82 -13.124 -6.135 2.516 645 2HB PRO 82 2HB PRO 82 -11.551 -6.851 2.883 646 1HG PRO 82 1HG PRO 82 -12.671 -4.207 3.730 647 2HG PRO 82 2HG PRO 82 -11.776 -5.399 4.689 648 1HD PRO 82 1HD PRO 82 -10.615 -3.175 3.650 649 2HD PRO 82 2HD PRO 82 -9.734 -4.699 3.883 650 H LYS 83 H LYS 83 -11.192 -3.969 -0.703 651 HA LYS 83 HA LYS 83 -12.353 -2.562 -2.010 652 1HB LYS 83 1HB LYS 83 -14.555 -4.344 -1.064 653 2HB LYS 83 2HB LYS 83 -14.980 -2.855 -1.903 654 1HG LYS 83 1HG LYS 83 -13.677 -3.529 -3.831 655 2HG LYS 83 2HG LYS 83 -13.132 -4.979 -2.988 656 1HD LYS 83 1HD LYS 83 -15.288 -5.933 -3.032 657 2HD LYS 83 2HD LYS 83 -16.042 -4.404 -3.493 658 1HE LYS 83 1HE LYS 83 -14.081 -5.914 -5.212 659 2HE LYS 83 2HE LYS 83 -15.831 -6.086 -5.338 660 1HZ LYS 83 1HZ LYS 83 -14.269 -3.598 -5.805 661 2HZ LYS 83 2HZ LYS 83 -15.959 -3.699 -5.842 662 3HZ LYS 83 3HZ LYS 83 -15.032 -4.548 -6.982 663 H ASN 84 H ASN 84 -14.478 -2.843 0.834 664 HA ASN 84 HA ASN 84 -15.191 -1.346 2.373 665 1HB ASN 84 1HB ASN 84 -12.812 -1.176 2.931 666 2HB ASN 84 2HB ASN 84 -12.601 0.071 1.706 667 1HD2 ASN 84 1HD2 ASN 84 -11.884 1.575 3.189 668 2HD2 ASN 84 2HD2 ASN 84 -12.928 2.325 4.342 669 H LYS 85 H LYS 85 -16.992 -0.700 1.212 670 HA LYS 85 HA LYS 85 -16.745 1.931 -0.091 671 1HB LYS 85 1HB LYS 85 -17.674 0.132 -1.536 672 2HB LYS 85 2HB LYS 85 -18.975 -0.098 -0.375 673 1HG LYS 85 1HG LYS 85 -19.634 2.278 -0.753 674 2HG LYS 85 2HG LYS 85 -18.435 2.346 -2.045 675 1HD LYS 85 1HD LYS 85 -19.601 0.497 -3.189 676 2HD LYS 85 2HD LYS 85 -20.824 0.505 -1.914 677 1HE LYS 85 1HE LYS 85 -21.289 2.887 -2.472 678 2HE LYS 85 2HE LYS 85 -20.182 2.737 -3.835 679 1HZ LYS 85 1HZ LYS 85 -22.718 1.248 -3.431 680 2HZ LYS 85 2HZ LYS 85 -21.624 0.938 -4.688 681 3HZ LYS 85 3HZ LYS 85 -22.406 2.439 -4.598 682 H ASN 86 H ASN 86 -18.910 -0.038 1.899 683 HA ASN 86 HA ASN 86 -20.392 0.424 3.540 684 1HB ASN 86 1HB ASN 86 -18.405 1.316 4.699 685 2HB ASN 86 2HB ASN 86 -18.700 2.897 3.980 686 1HD2 ASN 86 1HD2 ASN 86 -18.991 3.950 5.906 687 2HD2 ASN 86 2HD2 ASN 86 -20.359 3.683 6.930 688 H ARG 87 H ARG 87 -19.738 3.793 2.726 689 HA ARG 87 HA ARG 87 -21.894 4.293 1.040 690 1HB ARG 87 1HB ARG 87 -23.230 3.631 3.046 691 2HB ARG 87 2HB ARG 87 -22.498 4.962 3.930 692 1HG ARG 87 1HG ARG 87 -23.543 6.570 2.499 693 2HG ARG 87 2HG ARG 87 -24.136 5.297 1.429 694 1HD ARG 87 1HD ARG 87 -24.932 5.753 4.301 695 2HD ARG 87 2HD ARG 87 -25.922 6.064 2.876 696 HE ARG 87 HE ARG 87 -25.029 3.350 3.031 697 1HH1 ARG 87 1HH1 ARG 87 -27.444 5.603 4.180 698 2HH1 ARG 87 2HH1 ARG 87 -28.628 4.367 4.503 699 1HH2 ARG 87 1HH2 ARG 87 -26.557 1.717 3.468 700 2HH2 ARG 87 2HH2 ARG 87 -28.119 2.152 4.096 701 H GLU 88 H GLU 88 -21.347 6.167 0.089 702 HA GLU 88 HA GLU 88 -19.476 7.915 1.499 703 1HB GLU 88 1HB GLU 88 -18.974 8.901 -0.621 704 2HB GLU 88 2HB GLU 88 -18.994 7.158 -0.842 705 1HG GLU 88 1HG GLU 88 -21.150 7.259 -1.883 706 2HG GLU 88 2HG GLU 88 -21.287 8.980 -1.528 707 H GLY 89 H GLY 89 -19.939 10.354 0.430 708 1HA GLY 89 1HA GLY 89 -22.117 11.690 0.103 709 2HA GLY 89 2HA GLY 89 -22.514 11.030 1.686 710 H VAL 90 H VAL 90 -20.161 11.167 2.997 711 HA VAL 90 HA VAL 90 -19.563 14.045 3.056 712 HB VAL 90 HB VAL 90 -19.077 11.988 5.224 713 1HG1 VAL 90 1HG1 VAL 90 -18.640 13.908 6.660 714 2HG1 VAL 90 2HG1 VAL 90 -18.898 14.999 5.298 715 3HG1 VAL 90 3HG1 VAL 90 -17.532 13.884 5.289 716 1HG2 VAL 90 1HG2 VAL 90 -21.464 12.317 4.880 717 2HG2 VAL 90 2HG2 VAL 90 -21.255 14.064 5.001 718 3HG2 VAL 90 3HG2 VAL 90 -20.952 13.039 6.405 719 H VAL 91 H VAL 91 -17.691 14.584 2.140 720 HA VAL 91 HA VAL 91 -15.751 12.559 1.502 721 HB VAL 91 HB VAL 91 -14.429 14.435 0.515 722 1HG1 VAL 91 1HG1 VAL 91 -16.005 13.161 -0.831 723 2HG1 VAL 91 2HG1 VAL 91 -15.983 14.851 -1.335 724 3HG1 VAL 91 3HG1 VAL 91 -17.311 14.240 -0.348 725 1HG2 VAL 91 1HG2 VAL 91 -16.806 16.101 1.343 726 2HG2 VAL 91 2HG2 VAL 91 -15.499 16.631 0.285 727 3HG2 VAL 91 3HG2 VAL 91 -15.166 16.244 1.973 728 HA PRO 92 HA PRO 92 -13.456 12.970 5.248 729 1HB PRO 92 1HB PRO 92 -11.322 11.464 4.527 730 2HB PRO 92 2HB PRO 92 -12.896 10.763 4.923 731 1HG PRO 92 1HG PRO 92 -11.694 11.328 2.242 732 2HG PRO 92 2HG PRO 92 -12.592 9.900 2.789 733 1HD PRO 92 1HD PRO 92 -13.721 11.873 1.311 734 2HD PRO 92 2HD PRO 92 -14.631 10.915 2.493 735 HA PRO 93 HA PRO 93 -10.496 16.220 4.824 736 1HB PRO 93 1HB PRO 93 -8.662 14.694 6.581 737 2HB PRO 93 2HB PRO 93 -9.338 16.311 6.792 738 1HG PRO 93 1HG PRO 93 -10.221 14.254 8.244 739 2HG PRO 93 2HG PRO 93 -11.331 15.508 7.660 740 1HD PRO 93 1HD PRO 93 -10.867 12.746 6.611 741 2HD PRO 93 2HD PRO 93 -12.389 13.645 6.780 742 H VAL 94 H VAL 94 -9.044 16.689 3.325 743 HA VAL 94 HA VAL 94 -7.626 14.587 1.948 744 HB VAL 94 HB VAL 94 -6.914 16.418 0.429 745 1HG1 VAL 94 1HG1 VAL 94 -9.863 16.228 1.005 746 2HG1 VAL 94 2HG1 VAL 94 -8.927 15.201 -0.082 747 3HG1 VAL 94 3HG1 VAL 94 -9.168 16.903 -0.467 748 1HG2 VAL 94 1HG2 VAL 94 -7.933 18.639 0.678 749 2HG2 VAL 94 2HG2 VAL 94 -6.853 18.254 2.017 750 3HG2 VAL 94 3HG2 VAL 94 -8.600 18.148 2.233 751 H GLY 95 H GLY 95 -5.322 15.829 1.109 752 1HA GLY 95 1HA GLY 95 -3.774 15.925 3.605 753 2HA GLY 95 2HA GLY 95 -3.123 15.598 2.004 754 H ILE 96 H ILE 96 -3.051 17.797 4.352 755 HA ILE 96 HA ILE 96 -3.515 20.223 2.941 756 HB ILE 96 HB ILE 96 -2.200 21.257 4.870 757 1HG1 ILE 96 1HG1 ILE 96 -2.445 18.437 5.955 758 2HG1 ILE 96 2HG1 ILE 96 -0.939 19.206 5.470 759 1HG2 ILE 96 1HG2 ILE 96 -4.071 20.976 6.422 760 2HG2 ILE 96 2HG2 ILE 96 -4.644 19.599 5.478 761 3HG2 ILE 96 3HG2 ILE 96 -4.632 21.212 4.765 762 1HD1 ILE 96 1HD1 ILE 96 -2.739 20.110 7.705 763 2HD1 ILE 96 2HD1 ILE 96 -1.222 20.873 7.226 764 3HD1 ILE 96 3HD1 ILE 96 -1.217 19.235 7.880 765 H THR 97 H THR 97 -2.384 20.284 1.080 766 HA THR 97 HA THR 97 -0.675 20.609 -0.357 767 HB THR 97 HB THR 97 0.943 21.412 2.072 768 HG1 THR 97 HG1 THR 97 -0.740 22.958 0.340 769 1HG2 THR 97 1HG2 THR 97 1.220 22.157 -0.846 770 2HG2 THR 97 2HG2 THR 97 2.276 21.053 0.034 771 3HG2 THR 97 3HG2 THR 97 2.220 22.759 0.477 772 H ASN 98 H ASN 98 -0.803 18.301 -0.590 773 HA ASN 98 HA ASN 98 1.749 17.005 0.076 774 1HB ASN 98 1HB ASN 98 -1.024 15.816 0.324 775 2HB ASN 98 2HB ASN 98 0.435 14.834 0.251 776 1HD2 ASN 98 1HD2 ASN 98 2.054 16.644 1.790 777 2HD2 ASN 98 2HD2 ASN 98 1.510 16.534 3.425 Start of MODEL 19 1 H MET 1 H MET 1 -18.086 9.617 -8.565 2 HA MET 1 HA MET 1 -18.671 8.868 -6.369 3 1HB MET 1 1HB MET 1 -20.276 7.142 -7.037 4 2HB MET 1 2HB MET 1 -18.978 6.183 -7.733 5 1HG MET 1 1HG MET 1 -19.668 5.326 -5.565 6 2HG MET 1 2HG MET 1 -17.994 5.879 -5.537 7 1HE MET 1 1HE MET 1 -19.216 6.691 -1.917 8 2HE MET 1 2HE MET 1 -18.011 5.858 -2.900 9 3HE MET 1 3HE MET 1 -19.687 5.305 -2.900 10 H LYS 2 H LYS 2 -16.739 9.169 -5.496 11 HA LYS 2 HA LYS 2 -14.625 7.234 -6.063 12 1HB LYS 2 1HB LYS 2 -14.235 9.163 -7.577 13 2HB LYS 2 2HB LYS 2 -14.176 10.225 -6.179 14 1HG LYS 2 1HG LYS 2 -11.942 9.738 -6.907 15 2HG LYS 2 2HG LYS 2 -12.224 8.962 -5.346 16 1HD LYS 2 1HD LYS 2 -11.056 7.427 -6.798 17 2HD LYS 2 2HD LYS 2 -12.701 6.843 -6.535 18 1HE LYS 2 1HE LYS 2 -13.363 7.834 -8.698 19 2HE LYS 2 2HE LYS 2 -11.689 8.322 -8.960 20 1HZ LYS 2 1HZ LYS 2 -12.658 5.527 -8.659 21 2HZ LYS 2 2HZ LYS 2 -11.041 5.986 -8.888 22 3HZ LYS 2 3HZ LYS 2 -12.182 6.267 -10.113 23 H SER 3 H SER 3 -14.396 6.391 -4.090 24 HA SER 3 HA SER 3 -14.795 7.925 -1.713 25 1HB SER 3 1HB SER 3 -13.734 5.117 -2.104 26 2HB SER 3 2HB SER 3 -14.150 5.834 -0.546 27 HG SER 3 HG SER 3 -16.297 6.099 -1.339 28 H SER 4 H SER 4 -13.275 9.588 -1.873 29 HA SER 4 HA SER 4 -10.460 8.945 -1.757 30 1HB SER 4 1HB SER 4 -10.306 11.473 -1.339 31 2HB SER 4 2HB SER 4 -10.941 10.961 -2.902 32 HG SER 4 HG SER 4 -12.491 11.718 -0.642 33 H ILE 5 H ILE 5 -9.788 8.026 0.059 34 HA ILE 5 HA ILE 5 -10.795 9.063 2.628 35 HB ILE 5 HB ILE 5 -9.986 6.203 2.044 36 1HG1 ILE 5 1HG1 ILE 5 -12.761 7.363 2.398 37 2HG1 ILE 5 2HG1 ILE 5 -12.069 6.849 0.864 38 1HG2 ILE 5 1HG2 ILE 5 -10.992 5.721 4.228 39 2HG2 ILE 5 2HG2 ILE 5 -11.301 7.444 4.458 40 3HG2 ILE 5 3HG2 ILE 5 -9.644 6.850 4.362 41 1HD1 ILE 5 1HD1 ILE 5 -11.929 4.559 1.702 42 2HD1 ILE 5 2HD1 ILE 5 -13.581 5.176 1.748 43 3HD1 ILE 5 3HD1 ILE 5 -12.632 5.082 3.232 44 HA PRO 6 HA PRO 6 -6.486 9.863 3.387 45 1HB PRO 6 1HB PRO 6 -6.641 10.344 6.055 46 2HB PRO 6 2HB PRO 6 -7.164 11.506 4.834 47 1HG PRO 6 1HG PRO 6 -8.799 9.624 6.482 48 2HG PRO 6 2HG PRO 6 -9.138 11.305 6.031 49 1HD PRO 6 1HD PRO 6 -10.269 9.164 4.781 50 2HD PRO 6 2HD PRO 6 -9.967 10.715 3.973 51 H ILE 7 H ILE 7 -4.690 9.007 4.559 52 HA ILE 7 HA ILE 7 -4.707 6.209 4.653 53 HB ILE 7 HB ILE 7 -2.683 7.483 4.165 54 1HG1 ILE 7 1HG1 ILE 7 -1.104 6.161 5.515 55 2HG1 ILE 7 2HG1 ILE 7 -2.403 5.758 6.635 56 1HG2 ILE 7 1HG2 ILE 7 -2.978 9.335 5.697 57 2HG2 ILE 7 2HG2 ILE 7 -1.411 8.568 5.962 58 3HG2 ILE 7 3HG2 ILE 7 -2.744 8.259 7.075 59 1HD1 ILE 7 1HD1 ILE 7 -3.575 4.589 4.833 60 2HD1 ILE 7 2HD1 ILE 7 -1.968 3.924 5.126 61 3HD1 ILE 7 3HD1 ILE 7 -2.248 4.973 3.737 62 H THR 8 H THR 8 -5.272 8.563 7.165 63 HA THR 8 HA THR 8 -4.679 7.018 9.413 64 HB THR 8 HB THR 8 -5.102 9.452 9.495 65 HG1 THR 8 HG1 THR 8 -6.759 7.852 11.193 66 1HG2 THR 8 1HG2 THR 8 -7.024 9.586 8.004 67 2HG2 THR 8 2HG2 THR 8 -7.405 10.295 9.574 68 3HG2 THR 8 3HG2 THR 8 -8.004 8.688 9.165 69 H GLU 9 H GLU 9 -7.358 6.857 7.225 70 HA GLU 9 HA GLU 9 -8.845 5.133 9.073 71 1HB GLU 9 1HB GLU 9 -9.693 6.348 6.440 72 2HB GLU 9 2HB GLU 9 -10.716 5.384 7.495 73 1HG GLU 9 1HG GLU 9 -9.527 8.080 8.097 74 2HG GLU 9 2HG GLU 9 -11.224 7.708 7.792 75 H VAL 10 H VAL 10 -7.334 5.189 5.888 76 HA VAL 10 HA VAL 10 -8.293 2.623 5.107 77 HB VAL 10 HB VAL 10 -6.031 4.285 3.988 78 1HG1 VAL 10 1HG1 VAL 10 -5.671 1.936 3.443 79 2HG1 VAL 10 2HG1 VAL 10 -6.167 2.836 2.009 80 3HG1 VAL 10 3HG1 VAL 10 -7.327 1.807 2.849 81 1HG2 VAL 10 1HG2 VAL 10 -8.147 5.375 3.725 82 2HG2 VAL 10 2HG2 VAL 10 -8.898 3.886 3.154 83 3HG2 VAL 10 3HG2 VAL 10 -7.686 4.695 2.164 84 H LEU 11 H LEU 11 -5.402 3.764 6.744 85 HA LEU 11 HA LEU 11 -3.753 1.561 6.462 86 1HB LEU 11 1HB LEU 11 -2.765 3.414 7.432 87 2HB LEU 11 2HB LEU 11 -4.068 3.648 8.579 88 HG LEU 11 HG LEU 11 -3.302 1.669 9.832 89 1HD1 LEU 11 1HD1 LEU 11 -2.246 0.442 8.034 90 2HD1 LEU 11 2HD1 LEU 11 -1.109 0.710 9.355 91 3HD1 LEU 11 3HD1 LEU 11 -1.002 1.685 7.889 92 1HD2 LEU 11 1HD2 LEU 11 -1.275 2.706 10.758 93 2HD2 LEU 11 2HD2 LEU 11 -2.572 3.874 10.506 94 3HD2 LEU 11 3HD2 LEU 11 -1.220 3.800 9.375 95 HA PRO 12 HA PRO 12 -5.589 -0.535 10.407 96 1HB PRO 12 1HB PRO 12 -7.996 0.400 11.315 97 2HB PRO 12 2HB PRO 12 -6.430 0.909 11.957 98 1HG PRO 12 1HG PRO 12 -8.189 2.266 9.954 99 2HG PRO 12 2HG PRO 12 -7.287 2.966 11.313 100 1HD PRO 12 1HD PRO 12 -6.390 3.125 8.790 101 2HD PRO 12 2HD PRO 12 -5.285 2.934 10.164 102 H ARG 13 H ARG 13 -7.867 0.768 8.018 103 HA ARG 13 HA ARG 13 -9.519 -1.598 8.141 104 1HB ARG 13 1HB ARG 13 -9.586 0.886 6.448 105 2HB ARG 13 2HB ARG 13 -10.687 -0.459 6.191 106 1HG ARG 13 1HG ARG 13 -11.546 -0.221 8.446 107 2HG ARG 13 2HG ARG 13 -10.405 1.088 8.755 108 1HD ARG 13 1HD ARG 13 -11.460 2.460 7.072 109 2HD ARG 13 2HD ARG 13 -12.532 1.135 6.619 110 HE ARG 13 HE ARG 13 -13.766 1.468 8.580 111 1HH1 ARG 13 1HH1 ARG 13 -11.027 3.620 8.406 112 2HH1 ARG 13 2HH1 ARG 13 -11.653 4.754 9.572 113 1HH2 ARG 13 1HH2 ARG 13 -14.612 2.922 10.132 114 2HH2 ARG 13 2HH2 ARG 13 -13.692 4.333 10.577 115 H ALA 14 H ALA 14 -6.592 -1.061 6.753 116 HA ALA 14 HA ALA 14 -7.108 -2.462 4.260 117 1HB ALA 14 1HB ALA 14 -4.521 -1.487 5.478 118 2HB ALA 14 2HB ALA 14 -5.473 -0.668 4.241 119 3HB ALA 14 3HB ALA 14 -4.686 -2.201 3.875 120 H VAL 15 H VAL 15 -6.193 -4.459 3.709 121 HA VAL 15 HA VAL 15 -5.412 -6.151 5.998 122 HB VAL 15 HB VAL 15 -6.423 -8.069 4.757 123 1HG1 VAL 15 1HG1 VAL 15 -8.305 -5.822 5.470 124 2HG1 VAL 15 2HG1 VAL 15 -7.636 -7.018 6.580 125 3HG1 VAL 15 3HG1 VAL 15 -8.754 -7.520 5.310 126 1HG2 VAL 15 1HG2 VAL 15 -8.039 -7.592 2.969 127 2HG2 VAL 15 2HG2 VAL 15 -6.400 -7.126 2.515 128 3HG2 VAL 15 3HG2 VAL 15 -7.562 -5.893 3.003 129 H GLY 16 H GLY 16 -4.176 -4.629 3.466 130 1HA GLY 16 1HA GLY 16 -1.942 -6.416 3.252 131 2HA GLY 16 2HA GLY 16 -2.892 -6.320 1.769 132 H SER 17 H SER 17 -0.161 -5.421 2.123 133 HA SER 17 HA SER 17 -0.547 -2.706 1.200 134 1HB SER 17 1HB SER 17 1.251 -3.239 3.575 135 2HB SER 17 2HB SER 17 0.957 -1.682 2.805 136 HG SER 17 HG SER 17 -1.398 -2.591 3.425 137 H LEU 18 H LEU 18 0.869 -2.181 -0.328 138 HA LEU 18 HA LEU 18 3.220 -3.911 -0.705 139 1HB LEU 18 1HB LEU 18 1.372 -2.539 -2.589 140 2HB LEU 18 2HB LEU 18 3.055 -2.677 -3.051 141 HG LEU 18 HG LEU 18 1.342 -5.041 -2.295 142 1HD1 LEU 18 1HD1 LEU 18 2.051 -3.995 -5.035 143 2HD1 LEU 18 2HD1 LEU 18 0.449 -3.952 -4.298 144 3HD1 LEU 18 3HD1 LEU 18 1.200 -5.500 -4.688 145 1HD2 LEU 18 1HD2 LEU 18 3.760 -5.347 -2.033 146 2HD2 LEU 18 2HD2 LEU 18 4.003 -4.832 -3.706 147 3HD2 LEU 18 3HD2 LEU 18 3.120 -6.321 -3.358 148 H THR 19 H THR 19 5.088 -3.009 -0.189 149 HA THR 19 HA THR 19 5.267 -0.112 0.071 150 HB THR 19 HB THR 19 7.354 -2.203 0.740 151 HG1 THR 19 HG1 THR 19 6.581 -1.780 2.932 152 1HG2 THR 19 1HG2 THR 19 7.085 0.693 1.562 153 2HG2 THR 19 2HG2 THR 19 8.283 0.037 0.446 154 3HG2 THR 19 3HG2 THR 19 8.313 -0.428 2.147 155 H PHE 20 H PHE 20 5.827 1.017 -1.645 156 HA PHE 20 HA PHE 20 7.743 -0.126 -3.565 157 1HB PHE 20 1HB PHE 20 5.495 1.848 -3.888 158 2HB PHE 20 2HB PHE 20 6.822 1.812 -5.036 159 HD1 PHE 20 HD1 PHE 20 6.714 0.434 -6.852 160 HD2 PHE 20 HD2 PHE 20 4.270 -0.407 -3.475 161 HE1 PHE 20 HE1 PHE 20 5.592 -1.350 -8.117 162 HE2 PHE 20 HE2 PHE 20 3.140 -2.196 -4.740 163 HZ PHE 20 HZ PHE 20 3.801 -2.659 -7.056 164 H ASP 21 H ASP 21 9.402 1.185 -4.346 165 HA ASP 21 HA ASP 21 10.421 3.095 -2.446 166 1HB ASP 21 1HB ASP 21 11.923 1.485 -3.531 167 2HB ASP 21 2HB ASP 21 11.508 2.140 -5.109 168 H GLU 22 H GLU 22 11.386 5.184 -3.343 169 HA GLU 22 HA GLU 22 9.356 6.803 -4.430 170 1HB GLU 22 1HB GLU 22 11.203 8.499 -4.581 171 2HB GLU 22 2HB GLU 22 10.995 7.774 -2.994 172 1HG GLU 22 1HG GLU 22 12.836 6.129 -3.794 173 2HG GLU 22 2HG GLU 22 13.188 7.387 -4.979 174 H ASN 23 H ASN 23 11.899 4.915 -5.847 175 HA ASN 23 HA ASN 23 11.511 6.053 -8.488 176 1HB ASN 23 1HB ASN 23 13.180 3.748 -7.473 177 2HB ASN 23 2HB ASN 23 13.117 4.240 -9.158 178 1HD2 ASN 23 1HD2 ASN 23 14.195 5.068 -5.962 179 2HD2 ASN 23 2HD2 ASN 23 15.286 6.329 -6.444 180 H TYR 24 H TYR 24 9.555 4.384 -6.720 181 HA TYR 24 HA TYR 24 7.717 3.145 -7.079 182 1HB TYR 24 1HB TYR 24 8.381 3.568 -9.996 183 2HB TYR 24 2HB TYR 24 6.848 2.958 -9.378 184 HD1 TYR 24 HD1 TYR 24 8.772 5.878 -10.151 185 HD2 TYR 24 HD2 TYR 24 5.493 4.470 -7.841 186 HE1 TYR 24 HE1 TYR 24 7.960 8.187 -9.913 187 HE2 TYR 24 HE2 TYR 24 4.669 6.773 -7.596 188 HH TYR 24 HH TYR 24 5.689 9.117 -7.669 189 H ASN 25 H ASN 25 10.356 1.828 -6.857 190 HA ASN 25 HA ASN 25 9.832 -0.684 -8.272 191 1HB ASN 25 1HB ASN 25 12.179 0.139 -6.540 192 2HB ASN 25 2HB ASN 25 12.017 -1.423 -7.330 193 1HD2 ASN 25 1HD2 ASN 25 12.852 1.876 -7.691 194 2HD2 ASN 25 2HD2 ASN 25 13.340 1.808 -9.348 195 H LEU 26 H LEU 26 9.216 -2.554 -7.230 196 HA LEU 26 HA LEU 26 7.893 -2.324 -4.751 197 1HB LEU 26 1HB LEU 26 7.212 -3.942 -6.422 198 2HB LEU 26 2HB LEU 26 8.762 -4.754 -6.315 199 HG LEU 26 HG LEU 26 8.265 -5.527 -4.078 200 1HD1 LEU 26 1HD1 LEU 26 5.694 -3.976 -4.353 201 2HD1 LEU 26 2HD1 LEU 26 7.032 -3.602 -3.265 202 3HD1 LEU 26 3HD1 LEU 26 6.092 -5.077 -3.032 203 1HD2 LEU 26 1HD2 LEU 26 5.938 -5.978 -5.947 204 2HD2 LEU 26 2HD2 LEU 26 6.356 -6.981 -4.557 205 3HD2 LEU 26 3HD2 LEU 26 7.454 -6.882 -5.933 206 H LEU 27 H LEU 27 8.630 -2.417 -2.762 207 HA LEU 27 HA LEU 27 11.360 -3.397 -2.296 208 1HB LEU 27 1HB LEU 27 9.612 -1.639 -0.573 209 2HB LEU 27 2HB LEU 27 11.264 -2.103 -0.211 210 HG LEU 27 HG LEU 27 10.419 -0.421 -2.573 211 1HD1 LEU 27 1HD1 LEU 27 10.076 0.746 -0.462 212 2HD1 LEU 27 2HD1 LEU 27 11.436 1.431 -1.351 213 3HD1 LEU 27 3HD1 LEU 27 11.729 0.369 0.026 214 1HD2 LEU 27 1HD2 LEU 27 13.141 -1.149 -1.496 215 2HD2 LEU 27 2HD2 LEU 27 12.831 0.006 -2.791 216 3HD2 LEU 27 3HD2 LEU 27 12.434 -1.696 -3.018 217 H ASP 28 H ASP 28 8.125 -3.400 -0.839 218 HA ASP 28 HA ASP 28 8.694 -6.023 0.338 219 1HB ASP 28 1HB ASP 28 9.181 -4.481 2.124 220 2HB ASP 28 2HB ASP 28 7.693 -3.593 1.830 221 H THR 29 H THR 29 6.920 -7.324 0.654 222 HA THR 29 HA THR 29 4.313 -6.262 -0.215 223 HB THR 29 HB THR 29 5.341 -9.059 -0.729 224 HG1 THR 29 HG1 THR 29 5.892 -6.775 -2.012 225 1HG2 THR 29 1HG2 THR 29 3.401 -9.195 -2.238 226 2HG2 THR 29 2HG2 THR 29 2.902 -7.584 -1.724 227 3HG2 THR 29 3HG2 THR 29 2.917 -8.916 -0.567 228 H SER 30 H SER 30 2.931 -6.305 1.462 229 HA SER 30 HA SER 30 3.141 -8.534 3.368 230 1HB SER 30 1HB SER 30 2.776 -5.605 4.038 231 2HB SER 30 2HB SER 30 2.630 -6.926 5.200 232 HG SER 30 HG SER 30 4.933 -6.026 3.804 233 H GLY 31 H GLY 31 1.196 -8.972 4.576 234 1HA GLY 31 1HA GLY 31 -1.074 -9.207 4.836 235 2HA GLY 31 2HA GLY 31 -1.280 -7.716 3.927 236 H VAL 32 H VAL 32 -3.104 -8.661 2.914 237 HA VAL 32 HA VAL 32 -3.075 -11.036 1.426 238 HB VAL 32 HB VAL 32 -4.736 -8.563 0.907 239 1HG1 VAL 32 1HG1 VAL 32 -6.335 -10.096 -0.107 240 2HG1 VAL 32 2HG1 VAL 32 -5.237 -11.446 0.181 241 3HG1 VAL 32 3HG1 VAL 32 -4.782 -10.165 -0.941 242 1HG2 VAL 32 1HG2 VAL 32 -4.930 -9.310 3.214 243 2HG2 VAL 32 2HG2 VAL 32 -5.283 -10.949 2.669 244 3HG2 VAL 32 3HG2 VAL 32 -6.418 -9.643 2.325 245 H ALA 33 H ALA 33 -1.630 -8.009 0.770 246 HA ALA 33 HA ALA 33 -1.674 -7.916 -2.024 247 1HB ALA 33 1HB ALA 33 -0.958 -6.031 -0.666 248 2HB ALA 33 2HB ALA 33 0.296 -6.466 -1.829 249 3HB ALA 33 3HB ALA 33 0.462 -6.932 -0.136 250 H LYS 34 H LYS 34 -0.070 -10.080 0.081 251 HA LYS 34 HA LYS 34 2.142 -10.736 -1.584 252 1HB LYS 34 1HB LYS 34 0.817 -12.303 0.633 253 2HB LYS 34 2HB LYS 34 2.354 -12.707 -0.113 254 1HG LYS 34 1HG LYS 34 3.295 -10.588 0.675 255 2HG LYS 34 2HG LYS 34 1.755 -10.207 1.449 256 1HD LYS 34 1HD LYS 34 3.473 -12.605 2.078 257 2HD LYS 34 2HD LYS 34 3.411 -11.122 3.030 258 1HE LYS 34 1HE LYS 34 1.063 -11.498 3.509 259 2HE LYS 34 2HE LYS 34 1.060 -12.932 2.485 260 1HZ LYS 34 1HZ LYS 34 1.235 -13.529 4.808 261 2HZ LYS 34 2HZ LYS 34 2.634 -12.581 4.981 262 3HZ LYS 34 3HZ LYS 34 2.659 -13.955 3.988 263 H VAL 35 H VAL 35 -1.158 -11.936 -1.272 264 HA VAL 35 HA VAL 35 -0.599 -14.071 -3.186 265 HB VAL 35 HB VAL 35 -2.835 -14.896 -2.736 266 1HG1 VAL 35 1HG1 VAL 35 -1.121 -15.624 -1.224 267 2HG1 VAL 35 2HG1 VAL 35 -2.609 -15.361 -0.313 268 3HG1 VAL 35 3HG1 VAL 35 -1.311 -14.168 -0.243 269 1HG2 VAL 35 1HG2 VAL 35 -4.307 -13.821 -1.101 270 2HG2 VAL 35 2HG2 VAL 35 -4.007 -12.774 -2.489 271 3HG2 VAL 35 3HG2 VAL 35 -3.171 -12.476 -0.964 272 H ILE 36 H ILE 36 -1.858 -10.908 -3.071 273 HA ILE 36 HA ILE 36 -3.489 -11.003 -5.397 274 HB ILE 36 HB ILE 36 -2.161 -8.719 -3.939 275 1HG1 ILE 36 1HG1 ILE 36 -5.074 -9.498 -4.172 276 2HG1 ILE 36 2HG1 ILE 36 -4.033 -9.969 -2.832 277 1HG2 ILE 36 1HG2 ILE 36 -3.502 -7.188 -5.279 278 2HG2 ILE 36 2HG2 ILE 36 -4.100 -8.541 -6.238 279 3HG2 ILE 36 3HG2 ILE 36 -2.391 -8.111 -6.293 280 1HD1 ILE 36 1HD1 ILE 36 -5.416 -8.066 -2.251 281 2HD1 ILE 36 2HD1 ILE 36 -4.751 -7.152 -3.606 282 3HD1 ILE 36 3HD1 ILE 36 -3.708 -7.623 -2.263 283 H GLU 37 H GLU 37 -2.998 -10.677 -7.489 284 HA GLU 37 HA GLU 37 -0.353 -11.187 -8.359 285 1HB GLU 37 1HB GLU 37 -1.333 -10.788 -10.645 286 2HB GLU 37 2HB GLU 37 -2.122 -12.034 -9.690 287 1HG GLU 37 1HG GLU 37 -3.847 -10.350 -9.053 288 2HG GLU 37 2HG GLU 37 -3.094 -9.233 -10.191 289 H LYS 38 H LYS 38 1.169 -9.921 -9.252 290 HA LYS 38 HA LYS 38 0.975 -7.114 -8.563 291 1HB LYS 38 1HB LYS 38 3.224 -8.915 -9.372 292 2HB LYS 38 2HB LYS 38 3.417 -7.176 -9.508 293 1HG LYS 38 1HG LYS 38 4.334 -8.007 -7.414 294 2HG LYS 38 2HG LYS 38 2.972 -6.925 -7.123 295 1HD LYS 38 1HD LYS 38 1.525 -8.748 -6.635 296 2HD LYS 38 2HD LYS 38 2.711 -9.921 -7.205 297 1HE LYS 38 1HE LYS 38 4.212 -9.252 -5.364 298 2HE LYS 38 2HE LYS 38 2.969 -8.144 -4.782 299 1HZ LYS 38 1HZ LYS 38 3.073 -10.373 -3.661 300 2HZ LYS 38 2HZ LYS 38 2.499 -11.053 -5.104 301 3HZ LYS 38 3HZ LYS 38 1.548 -9.931 -4.259 302 H SER 39 H SER 39 -0.487 -6.362 -10.070 303 HA SER 39 HA SER 39 0.169 -6.375 -12.874 304 1HB SER 39 1HB SER 39 -1.719 -4.652 -12.940 305 2HB SER 39 2HB SER 39 -2.151 -6.253 -12.339 306 HG SER 39 HG SER 39 -2.849 -4.280 -11.108 307 HA PRO 40 HA PRO 40 2.589 -2.581 -13.077 308 1HB PRO 40 1HB PRO 40 0.618 -1.197 -14.784 309 2HB PRO 40 2HB PRO 40 2.291 -1.643 -15.135 310 1HG PRO 40 1HG PRO 40 0.250 -2.927 -16.287 311 2HG PRO 40 2HG PRO 40 1.724 -3.786 -15.794 312 1HD PRO 40 1HD PRO 40 -0.936 -3.645 -14.413 313 2HD PRO 40 2HD PRO 40 0.126 -5.047 -14.673 314 H ILE 41 H ILE 41 1.241 -2.595 -10.781 315 HA ILE 41 HA ILE 41 -0.549 -0.480 -10.296 316 HB ILE 41 HB ILE 41 1.351 -1.833 -8.373 317 1HG1 ILE 41 1HG1 ILE 41 -1.545 -2.420 -9.024 318 2HG1 ILE 41 2HG1 ILE 41 -0.169 -3.387 -9.546 319 1HG2 ILE 41 1HG2 ILE 41 0.482 0.301 -7.522 320 2HG2 ILE 41 2HG2 ILE 41 -0.149 -1.076 -6.618 321 3HG2 ILE 41 3HG2 ILE 41 -1.163 -0.268 -7.811 322 1HD1 ILE 41 1HD1 ILE 41 -1.323 -4.383 -7.645 323 2HD1 ILE 41 2HD1 ILE 41 -1.004 -2.934 -6.692 324 3HD1 ILE 41 3HD1 ILE 41 0.336 -3.941 -7.238 325 H ALA 42 H ALA 42 2.962 -0.662 -10.332 326 HA ALA 42 HA ALA 42 3.590 1.720 -9.014 327 1HB ALA 42 1HB ALA 42 5.714 1.650 -10.222 328 2HB ALA 42 2HB ALA 42 5.049 0.444 -11.326 329 3HB ALA 42 3HB ALA 42 5.266 0.054 -9.620 330 H GLU 43 H GLU 43 2.615 1.129 -12.327 331 HA GLU 43 HA GLU 43 3.085 3.701 -13.374 332 1HB GLU 43 1HB GLU 43 2.647 1.667 -14.730 333 2HB GLU 43 2HB GLU 43 0.980 1.679 -14.177 334 1HG GLU 43 1HG GLU 43 1.108 2.597 -16.387 335 2HG GLU 43 2HG GLU 43 0.664 3.867 -15.246 336 H ILE 44 H ILE 44 0.373 2.273 -11.651 337 HA ILE 44 HA ILE 44 -1.289 4.601 -12.012 338 HB ILE 44 HB ILE 44 -1.789 2.392 -10.023 339 1HG1 ILE 44 1HG1 ILE 44 -1.331 1.349 -12.202 340 2HG1 ILE 44 2HG1 ILE 44 -3.036 1.211 -11.787 341 1HG2 ILE 44 1HG2 ILE 44 -3.637 4.209 -11.575 342 2HG2 ILE 44 2HG2 ILE 44 -3.213 4.373 -9.871 343 3HG2 ILE 44 3HG2 ILE 44 -4.136 2.974 -10.420 344 1HD1 ILE 44 1HD1 ILE 44 -1.837 3.197 -13.704 345 2HD1 ILE 44 2HD1 ILE 44 -3.545 3.070 -13.286 346 3HD1 ILE 44 3HD1 ILE 44 -2.744 1.746 -14.131 347 H ILE 45 H ILE 45 0.969 3.376 -9.650 348 HA ILE 45 HA ILE 45 0.256 4.979 -7.454 349 HB ILE 45 HB ILE 45 2.992 3.938 -8.228 350 1HG1 ILE 45 1HG1 ILE 45 0.957 2.929 -6.228 351 2HG1 ILE 45 2HG1 ILE 45 1.331 2.184 -7.778 352 1HG2 ILE 45 1HG2 ILE 45 3.231 5.850 -6.758 353 2HG2 ILE 45 2HG2 ILE 45 3.614 4.366 -5.886 354 3HG2 ILE 45 3HG2 ILE 45 2.061 5.161 -5.632 355 1HD1 ILE 45 1HD1 ILE 45 3.603 1.732 -7.024 356 2HD1 ILE 45 2HD1 ILE 45 2.414 1.019 -5.932 357 3HD1 ILE 45 3HD1 ILE 45 3.249 2.506 -5.481 358 H ARG 46 H ARG 46 2.530 5.568 -10.122 359 HA ARG 46 HA ARG 46 3.307 8.135 -9.226 360 1HB ARG 46 1HB ARG 46 4.140 8.428 -11.558 361 2HB ARG 46 2HB ARG 46 4.747 7.000 -10.743 362 1HG ARG 46 1HG ARG 46 3.031 5.674 -11.958 363 2HG ARG 46 2HG ARG 46 2.616 7.134 -12.858 364 1HD ARG 46 1HD ARG 46 5.289 5.739 -12.813 365 2HD ARG 46 2HD ARG 46 4.140 5.767 -14.149 366 HE ARG 46 HE ARG 46 5.697 8.074 -13.190 367 1HH1 ARG 46 1HH1 ARG 46 3.806 6.469 -15.660 368 2HH1 ARG 46 2HH1 ARG 46 4.207 7.632 -16.889 369 1HH2 ARG 46 1HH2 ARG 46 6.229 9.598 -14.814 370 2HH2 ARG 46 2HH2 ARG 46 5.580 9.409 -16.411 371 H LYS 47 H LYS 47 0.822 7.037 -11.492 372 HA LYS 47 HA LYS 47 -0.148 9.528 -12.292 373 1HB LYS 47 1HB LYS 47 -1.618 6.925 -11.830 374 2HB LYS 47 2HB LYS 47 -2.343 8.334 -12.593 375 1HG LYS 47 1HG LYS 47 -0.725 8.222 -14.392 376 2HG LYS 47 2HG LYS 47 0.071 6.856 -13.613 377 1HD LYS 47 1HD LYS 47 -1.901 5.494 -13.889 378 2HD LYS 47 2HD LYS 47 -2.800 6.867 -14.538 379 1HE LYS 47 1HE LYS 47 -1.246 6.975 -16.430 380 2HE LYS 47 2HE LYS 47 -0.368 5.593 -15.782 381 1HZ LYS 47 1HZ LYS 47 -3.252 5.381 -16.350 382 2HZ LYS 47 2HZ LYS 47 -2.081 4.154 -16.294 383 3HZ LYS 47 3HZ LYS 47 -2.124 5.227 -17.601 384 H SER 48 H SER 48 -1.121 7.497 -9.550 385 HA SER 48 HA SER 48 -2.993 9.334 -8.494 386 1HB SER 48 1HB SER 48 -1.500 7.151 -7.025 387 2HB SER 48 2HB SER 48 -3.022 7.898 -6.546 388 HG SER 48 HG SER 48 -2.547 6.280 -8.830 389 H ASN 49 H ASN 49 0.444 9.135 -8.325 390 HA ASN 49 HA ASN 49 0.834 10.530 -5.887 391 1HB ASN 49 1HB ASN 49 2.669 9.276 -6.806 392 2HB ASN 49 2HB ASN 49 2.606 10.184 -8.314 393 1HD2 ASN 49 1HD2 ASN 49 3.705 12.054 -8.484 394 2HD2 ASN 49 2HD2 ASN 49 4.643 12.756 -7.207 395 H ALA 50 H ALA 50 0.405 11.527 -9.222 396 HA ALA 50 HA ALA 50 0.793 14.325 -8.621 397 1HB ALA 50 1HB ALA 50 0.172 14.719 -10.929 398 2HB ALA 50 2HB ALA 50 -0.389 13.054 -11.090 399 3HB ALA 50 3HB ALA 50 1.325 13.387 -10.839 400 H GLU 51 H GLU 51 -1.848 12.083 -8.730 401 HA GLU 51 HA GLU 51 -3.949 13.988 -8.955 402 1HB GLU 51 1HB GLU 51 -4.027 11.157 -7.906 403 2HB GLU 51 2HB GLU 51 -5.428 12.123 -8.341 404 1HG GLU 51 1HG GLU 51 -3.263 11.213 -10.221 405 2HG GLU 51 2HG GLU 51 -4.870 10.508 -10.069 406 H LEU 52 H LEU 52 -2.292 12.504 -6.220 407 HA LEU 52 HA LEU 52 -3.863 14.182 -4.411 408 1HB LEU 52 1HB LEU 52 -4.112 12.227 -2.869 409 2HB LEU 52 2HB LEU 52 -5.069 12.152 -4.337 410 HG LEU 52 HG LEU 52 -3.183 10.689 -5.277 411 1HD1 LEU 52 1HD1 LEU 52 -1.523 11.179 -3.558 412 2HD1 LEU 52 2HD1 LEU 52 -1.879 9.453 -3.647 413 3HD1 LEU 52 3HD1 LEU 52 -2.558 10.427 -2.342 414 1HD2 LEU 52 1HD2 LEU 52 -5.409 9.893 -4.671 415 2HD2 LEU 52 2HD2 LEU 52 -4.865 9.651 -3.011 416 3HD2 LEU 52 3HD2 LEU 52 -4.158 8.700 -4.319 417 H GLY 53 H GLY 53 -3.022 13.835 -2.072 418 1HA GLY 53 1HA GLY 53 -0.074 13.670 -2.152 419 2HA GLY 53 2HA GLY 53 -0.944 14.835 -1.162 420 H ARG 54 H ARG 54 -2.909 13.338 0.008 421 HA ARG 54 HA ARG 54 -1.389 11.267 1.453 422 1HB ARG 54 1HB ARG 54 -1.648 13.615 2.574 423 2HB ARG 54 2HB ARG 54 -3.284 13.069 2.912 424 1HG ARG 54 1HG ARG 54 -1.939 12.602 4.820 425 2HG ARG 54 2HG ARG 54 -2.308 11.066 4.030 426 1HD ARG 54 1HD ARG 54 0.026 11.118 4.683 427 2HD ARG 54 2HD ARG 54 -0.108 11.130 2.925 428 HE ARG 54 HE ARG 54 0.200 13.689 4.321 429 1HH1 ARG 54 1HH1 ARG 54 1.570 11.206 2.255 430 2HH1 ARG 54 2HH1 ARG 54 2.900 12.193 1.731 431 1HH2 ARG 54 1HH2 ARG 54 1.953 14.988 3.634 432 2HH2 ARG 54 2HH2 ARG 54 3.098 14.351 2.485 433 H LEU 55 H LEU 55 -4.009 11.792 -0.409 434 HA LEU 55 HA LEU 55 -5.866 10.113 1.071 435 1HB LEU 55 1HB LEU 55 -6.077 11.305 -1.699 436 2HB LEU 55 2HB LEU 55 -7.358 10.433 -0.872 437 HG LEU 55 HG LEU 55 -6.149 13.039 0.068 438 1HD1 LEU 55 1HD1 LEU 55 -8.280 14.029 -0.600 439 2HD1 LEU 55 2HD1 LEU 55 -8.796 12.478 -1.260 440 3HD1 LEU 55 3HD1 LEU 55 -7.432 13.332 -1.979 441 1HD2 LEU 55 1HD2 LEU 55 -6.972 11.660 1.898 442 2HD2 LEU 55 2HD2 LEU 55 -8.519 11.468 1.073 443 3HD2 LEU 55 3HD2 LEU 55 -8.018 13.059 1.647 444 H GLY 56 H GLY 56 -6.946 8.307 -0.284 445 1HA GLY 56 1HA GLY 56 -4.767 6.736 -1.505 446 2HA GLY 56 2HA GLY 56 -6.043 6.038 -0.524 447 H TYR 57 H TYR 57 -5.130 7.189 -3.636 448 HA TYR 57 HA TYR 57 -7.706 6.928 -4.868 449 1HB TYR 57 1HB TYR 57 -5.824 8.365 -5.732 450 2HB TYR 57 2HB TYR 57 -4.973 6.895 -6.175 451 HD1 TYR 57 HD1 TYR 57 -8.040 8.870 -6.843 452 HD2 TYR 57 HD2 TYR 57 -5.409 5.829 -8.229 453 HE1 TYR 57 HE1 TYR 57 -9.148 8.916 -9.037 454 HE2 TYR 57 HE2 TYR 57 -6.510 5.867 -10.426 455 HH TYR 57 HH TYR 57 -8.591 8.341 -11.392 456 H SER 58 H SER 58 -8.603 5.135 -5.768 457 HA SER 58 HA SER 58 -7.527 2.591 -5.134 458 1HB SER 58 1HB SER 58 -9.763 3.261 -7.065 459 2HB SER 58 2HB SER 58 -9.464 1.699 -6.300 460 HG SER 58 HG SER 58 -11.103 3.026 -5.268 461 H VAL 59 H VAL 59 -5.782 1.829 -6.094 462 HA VAL 59 HA VAL 59 -5.265 2.471 -8.895 463 HB VAL 59 HB VAL 59 -3.011 1.561 -8.504 464 1HG1 VAL 59 1HG1 VAL 59 -3.842 3.545 -6.389 465 2HG1 VAL 59 2HG1 VAL 59 -3.507 3.932 -8.077 466 3HG1 VAL 59 3HG1 VAL 59 -2.218 3.320 -7.041 467 1HG2 VAL 59 1HG2 VAL 59 -3.949 1.145 -5.667 468 2HG2 VAL 59 2HG2 VAL 59 -2.290 0.965 -6.241 469 3HG2 VAL 59 3HG2 VAL 59 -3.549 -0.125 -6.824 470 H TYR 60 H TYR 60 -5.876 -0.256 -6.779 471 HA TYR 60 HA TYR 60 -6.178 -1.947 -9.160 472 1HB TYR 60 1HB TYR 60 -4.037 -2.551 -8.201 473 2HB TYR 60 2HB TYR 60 -4.744 -2.674 -6.595 474 HD1 TYR 60 HD1 TYR 60 -4.564 -4.267 -9.921 475 HD2 TYR 60 HD2 TYR 60 -5.857 -4.660 -5.889 476 HE1 TYR 60 HE1 TYR 60 -4.985 -6.662 -10.294 477 HE2 TYR 60 HE2 TYR 60 -6.281 -7.052 -6.248 478 HH TYR 60 HH TYR 60 -6.727 -8.593 -8.064 479 H GLU 61 H GLU 61 -8.371 -2.117 -9.175 480 HA GLU 61 HA GLU 61 -9.653 -2.964 -6.687 481 1HB GLU 61 1HB GLU 61 -10.795 -1.162 -7.853 482 2HB GLU 61 2HB GLU 61 -10.888 -2.135 -9.318 483 1HG GLU 61 1HG GLU 61 -12.297 -3.752 -8.135 484 2HG GLU 61 2HG GLU 61 -12.225 -2.745 -6.691 485 H ASP 62 H ASP 62 -9.821 -5.008 -6.307 486 HA ASP 62 HA ASP 62 -10.154 -6.904 -8.534 487 1HB ASP 62 1HB ASP 62 -8.129 -7.247 -7.101 488 2HB ASP 62 2HB ASP 62 -9.180 -7.416 -5.702 489 H ALA 63 H ALA 63 -11.637 -8.783 -7.872 490 HA ALA 63 HA ALA 63 -14.097 -7.705 -6.999 491 1HB ALA 63 1HB ALA 63 -14.961 -9.974 -7.172 492 2HB ALA 63 2HB ALA 63 -13.319 -10.604 -7.279 493 3HB ALA 63 3HB ALA 63 -13.956 -9.583 -8.568 494 H GLN 64 H GLN 64 -11.452 -9.154 -5.339 495 HA GLN 64 HA GLN 64 -13.035 -9.612 -2.929 496 1HB GLN 64 1HB GLN 64 -10.082 -10.007 -3.397 497 2HB GLN 64 2HB GLN 64 -10.998 -10.561 -2.005 498 1HG GLN 64 1HG GLN 64 -12.218 -12.116 -3.371 499 2HG GLN 64 2HG GLN 64 -11.440 -11.494 -4.829 500 1HE2 GLN 64 1HE2 GLN 64 -9.240 -11.899 -5.158 501 2HE2 GLN 64 2HE2 GLN 64 -8.431 -13.210 -4.362 502 H TYR 65 H TYR 65 -10.273 -7.612 -3.990 503 HA TYR 65 HA TYR 65 -10.654 -5.929 -1.607 504 1HB TYR 65 1HB TYR 65 -7.923 -6.813 -2.560 505 2HB TYR 65 2HB TYR 65 -8.313 -5.934 -1.085 506 HD1 TYR 65 HD1 TYR 65 -9.540 -7.141 0.759 507 HD2 TYR 65 HD2 TYR 65 -7.965 -9.166 -2.633 508 HE1 TYR 65 HE1 TYR 65 -9.705 -9.278 1.963 509 HE2 TYR 65 HE2 TYR 65 -8.127 -11.306 -1.439 510 HH TYR 65 HH TYR 65 -8.189 -12.120 0.879 511 H ILE 66 H ILE 66 -9.536 -3.836 -1.758 512 HA ILE 66 HA ILE 66 -8.994 -2.976 -4.518 513 HB ILE 66 HB ILE 66 -10.549 -1.388 -2.466 514 1HG1 ILE 66 1HG1 ILE 66 -11.438 -2.586 -5.098 515 2HG1 ILE 66 2HG1 ILE 66 -11.852 -3.209 -3.506 516 1HG2 ILE 66 1HG2 ILE 66 -9.143 0.053 -3.804 517 2HG2 ILE 66 2HG2 ILE 66 -10.824 0.246 -4.305 518 3HG2 ILE 66 3HG2 ILE 66 -9.715 -0.712 -5.286 519 1HD1 ILE 66 1HD1 ILE 66 -12.649 -0.534 -4.631 520 2HD1 ILE 66 2HD1 ILE 66 -13.038 -1.121 -3.014 521 3HD1 ILE 66 3HD1 ILE 66 -13.691 -1.943 -4.432 522 H GLY 67 H GLY 67 -7.064 -2.120 -4.694 523 1HA GLY 67 1HA GLY 67 -5.585 -1.376 -2.280 524 2HA GLY 67 2HA GLY 67 -4.905 -1.635 -3.881 525 H HIS 68 H HIS 68 -4.718 0.600 -1.899 526 HA HIS 68 HA HIS 68 -5.463 2.790 -3.725 527 1HB HIS 68 1HB HIS 68 -5.460 3.022 -0.706 528 2HB HIS 68 2HB HIS 68 -6.042 4.205 -1.867 529 HD1 HIS 68 HD1 HIS 68 -8.410 3.796 -2.888 530 HD2 HIS 68 HD2 HIS 68 -7.240 0.997 -0.045 531 HE1 HIS 68 HE1 HIS 68 -10.500 2.531 -2.280 532 HE2 HIS 68 HE2 HIS 68 -9.796 0.994 -0.407 533 H ALA 69 H ALA 69 -3.764 4.083 -4.256 534 HA ALA 69 HA ALA 69 -1.186 3.481 -3.062 535 1HB ALA 69 1HB ALA 69 -0.280 5.038 -4.739 536 2HB ALA 69 2HB ALA 69 -1.924 5.405 -5.261 537 3HB ALA 69 3HB ALA 69 -1.278 3.775 -5.459 538 H PHE 70 H PHE 70 -0.337 4.522 -1.419 539 HA PHE 70 HA PHE 70 -1.249 7.268 -0.858 540 1HB PHE 70 1HB PHE 70 -0.386 5.053 0.997 541 2HB PHE 70 2HB PHE 70 -0.444 6.736 1.508 542 HD1 PHE 70 HD1 PHE 70 -2.420 3.826 0.512 543 HD2 PHE 70 HD2 PHE 70 -2.522 7.861 1.847 544 HE1 PHE 70 HE1 PHE 70 -4.804 3.583 1.049 545 HE2 PHE 70 HE2 PHE 70 -4.909 7.627 2.384 546 HZ PHE 70 HZ PHE 70 -6.049 5.486 1.988 547 H LYS 71 H LYS 71 0.235 8.823 -0.573 548 HA LYS 71 HA LYS 71 3.012 8.228 -1.110 549 1HB LYS 71 1HB LYS 71 1.400 10.723 -0.774 550 2HB LYS 71 2HB LYS 71 3.139 10.806 -0.539 551 1HG LYS 71 1HG LYS 71 2.803 11.423 -2.755 552 2HG LYS 71 2HG LYS 71 3.335 9.750 -2.845 553 1HD LYS 71 1HD LYS 71 0.412 10.263 -2.712 554 2HD LYS 71 2HD LYS 71 1.245 10.653 -4.217 555 1HE LYS 71 1HE LYS 71 2.077 8.380 -4.377 556 2HE LYS 71 2HE LYS 71 1.342 7.978 -2.825 557 1HZ LYS 71 1HZ LYS 71 -0.823 8.285 -3.755 558 2HZ LYS 71 2HZ LYS 71 0.039 7.247 -4.778 559 3HZ LYS 71 3HZ LYS 71 -0.184 8.866 -5.211 560 H LYS 72 H LYS 72 4.463 7.812 0.395 561 HA LYS 72 HA LYS 72 3.819 8.478 3.194 562 1HB LYS 72 1HB LYS 72 5.563 6.221 2.179 563 2HB LYS 72 2HB LYS 72 5.155 6.546 3.857 564 1HG LYS 72 1HG LYS 72 3.205 5.759 1.702 565 2HG LYS 72 2HG LYS 72 3.864 4.692 2.942 566 1HD LYS 72 1HD LYS 72 2.248 7.168 3.523 567 2HD LYS 72 2HD LYS 72 1.575 5.538 3.444 568 1HE LYS 72 1HE LYS 72 3.789 6.385 5.295 569 2HE LYS 72 2HE LYS 72 2.089 6.316 5.753 570 1HZ LYS 72 1HZ LYS 72 2.169 3.908 5.124 571 2HZ LYS 72 2HZ LYS 72 3.105 4.322 6.473 572 3HZ LYS 72 3HZ LYS 72 3.853 4.062 4.977 573 H ALA 73 H ALA 73 6.166 8.219 4.432 574 HA ALA 73 HA ALA 73 7.496 10.608 3.756 575 1HB ALA 73 1HB ALA 73 9.045 10.049 5.535 576 2HB ALA 73 2HB ALA 73 8.443 8.391 5.559 577 3HB ALA 73 3HB ALA 73 7.386 9.720 6.033 578 H GLY 74 H GLY 74 8.307 10.600 1.704 579 1HA GLY 74 1HA GLY 74 10.054 10.437 0.213 580 2HA GLY 74 2HA GLY 74 10.917 9.465 1.391 581 H HIS 75 H HIS 75 7.926 8.070 0.920 582 HA HIS 75 HA HIS 75 8.849 6.367 -1.266 583 1HB HIS 75 1HB HIS 75 8.590 5.516 1.576 584 2HB HIS 75 2HB HIS 75 8.084 4.381 0.329 585 HD1 HIS 75 HD1 HIS 75 10.468 3.672 2.092 586 HD2 HIS 75 HD2 HIS 75 10.803 5.651 -1.553 587 HE1 HIS 75 HE1 HIS 75 12.807 3.218 1.276 588 HE2 HIS 75 HE2 HIS 75 12.905 4.241 -1.027 589 H PHE 76 H PHE 76 7.122 4.546 -1.609 590 HA PHE 76 HA PHE 76 4.460 5.802 -1.439 591 1HB PHE 76 1HB PHE 76 5.669 4.282 -3.761 592 2HB PHE 76 2HB PHE 76 4.012 4.885 -3.695 593 HD1 PHE 76 HD1 PHE 76 7.369 5.608 -4.602 594 HD2 PHE 76 HD2 PHE 76 3.705 7.416 -3.416 595 HE1 PHE 76 HE1 PHE 76 8.128 7.752 -5.540 596 HE2 PHE 76 HE2 PHE 76 4.455 9.559 -4.354 597 HZ PHE 76 HZ PHE 76 6.669 9.732 -5.420 598 H ILE 77 H ILE 77 2.867 4.477 -0.655 599 HA ILE 77 HA ILE 77 3.385 1.585 -0.730 600 HB ILE 77 HB ILE 77 2.391 3.099 1.688 601 1HG1 ILE 77 1HG1 ILE 77 4.932 1.541 1.177 602 2HG1 ILE 77 2HG1 ILE 77 4.800 3.278 1.408 603 1HG2 ILE 77 1HG2 ILE 77 2.776 0.130 1.289 604 2HG2 ILE 77 2HG2 ILE 77 1.231 0.967 1.447 605 3HG2 ILE 77 3HG2 ILE 77 2.350 0.917 2.809 606 1HD1 ILE 77 1HD1 ILE 77 4.092 2.928 3.707 607 2HD1 ILE 77 2HD1 ILE 77 5.650 2.162 3.394 608 3HD1 ILE 77 3HD1 ILE 77 4.185 1.183 3.476 609 H VAL 78 H VAL 78 1.698 0.360 -1.264 610 HA VAL 78 HA VAL 78 -0.873 1.715 -1.726 611 HB VAL 78 HB VAL 78 0.163 -0.874 -2.901 612 1HG1 VAL 78 1HG1 VAL 78 -2.335 0.695 -3.538 613 2HG1 VAL 78 2HG1 VAL 78 -2.268 -0.859 -2.704 614 3HG1 VAL 78 3HG1 VAL 78 -1.772 -0.743 -4.392 615 1HG2 VAL 78 1HG2 VAL 78 -0.147 1.852 -4.151 616 2HG2 VAL 78 2HG2 VAL 78 0.348 0.382 -4.990 617 3HG2 VAL 78 3HG2 VAL 78 1.375 1.067 -3.731 618 H TYR 79 H TYR 79 -2.373 1.358 -0.236 619 HA TYR 79 HA TYR 79 -2.207 -1.049 1.407 620 1HB TYR 79 1HB TYR 79 -3.718 1.543 1.724 621 2HB TYR 79 2HB TYR 79 -3.922 0.171 2.800 622 HD1 TYR 79 HD1 TYR 79 -1.546 2.740 1.642 623 HD2 TYR 79 HD2 TYR 79 -2.293 -0.333 4.481 624 HE1 TYR 79 HE1 TYR 79 0.362 3.520 2.979 625 HE2 TYR 79 HE2 TYR 79 -0.399 0.448 5.837 626 HH TYR 79 HH TYR 79 1.610 1.696 5.638 627 H PHE 80 H PHE 80 -3.468 -2.708 1.033 628 HA PHE 80 HA PHE 80 -5.710 -2.444 -0.811 629 1HB PHE 80 1HB PHE 80 -4.215 -4.842 0.254 630 2HB PHE 80 2HB PHE 80 -5.616 -4.954 -0.800 631 HD1 PHE 80 HD1 PHE 80 -2.103 -3.935 -0.578 632 HD2 PHE 80 HD2 PHE 80 -5.454 -4.496 -3.134 633 HE1 PHE 80 HE1 PHE 80 -0.634 -3.738 -2.541 634 HE2 PHE 80 HE2 PHE 80 -3.992 -4.300 -5.103 635 HZ PHE 80 HZ PHE 80 -1.579 -3.921 -4.808 636 H THR 81 H THR 81 -7.677 -2.267 -0.043 637 HA THR 81 HA THR 81 -8.258 -3.256 2.671 638 HB THR 81 HB THR 81 -10.202 -1.709 2.596 639 HG1 THR 81 HG1 THR 81 -9.359 -1.478 -0.015 640 1HG2 THR 81 1HG2 THR 81 -8.930 0.378 2.802 641 2HG2 THR 81 2HG2 THR 81 -7.543 -0.393 2.033 642 3HG2 THR 81 3HG2 THR 81 -8.108 -0.958 3.606 643 HA PRO 82 HA PRO 82 -11.055 -6.260 0.924 644 1HB PRO 82 1HB PRO 82 -12.915 -6.457 2.887 645 2HB PRO 82 2HB PRO 82 -11.291 -7.136 3.034 646 1HG PRO 82 1HG PRO 82 -12.383 -4.577 4.134 647 2HG PRO 82 2HG PRO 82 -11.316 -5.764 4.908 648 1HD PRO 82 1HD PRO 82 -10.407 -3.442 3.830 649 2HD PRO 82 2HD PRO 82 -9.434 -4.925 3.882 650 H LYS 83 H LYS 83 -11.490 -4.236 -0.536 651 HA LYS 83 HA LYS 83 -12.869 -2.818 -1.624 652 1HB LYS 83 1HB LYS 83 -14.621 -5.143 -0.967 653 2HB LYS 83 2HB LYS 83 -15.350 -3.714 -1.686 654 1HG LYS 83 1HG LYS 83 -13.644 -3.901 -3.530 655 2HG LYS 83 2HG LYS 83 -13.199 -5.466 -2.848 656 1HD LYS 83 1HD LYS 83 -15.363 -6.350 -3.249 657 2HD LYS 83 2HD LYS 83 -16.016 -4.759 -3.641 658 1HE LYS 83 1HE LYS 83 -13.897 -6.196 -5.227 659 2HE LYS 83 2HE LYS 83 -15.611 -6.192 -5.626 660 1HZ LYS 83 1HZ LYS 83 -14.408 -4.579 -6.932 661 2HZ LYS 83 2HZ LYS 83 -13.835 -3.817 -5.532 662 3HZ LYS 83 3HZ LYS 83 -15.488 -3.785 -5.895 663 H ASN 84 H ASN 84 -12.327 -1.746 0.737 664 HA ASN 84 HA ASN 84 -14.705 -0.967 2.138 665 1HB ASN 84 1HB ASN 84 -12.364 -0.937 3.121 666 2HB ASN 84 2HB ASN 84 -12.046 0.482 2.125 667 1HD2 ASN 84 1HD2 ASN 84 -13.798 -0.792 4.841 668 2HD2 ASN 84 2HD2 ASN 84 -14.285 0.737 5.497 669 H LYS 85 H LYS 85 -16.198 -0.012 0.910 670 HA LYS 85 HA LYS 85 -15.613 2.470 -0.466 671 1HB LYS 85 1HB LYS 85 -16.535 1.647 -2.622 672 2HB LYS 85 2HB LYS 85 -15.031 0.838 -2.188 673 1HG LYS 85 1HG LYS 85 -16.094 -1.149 -1.665 674 2HG LYS 85 2HG LYS 85 -17.659 -0.370 -1.442 675 1HD LYS 85 1HD LYS 85 -17.734 0.062 -3.884 676 2HD LYS 85 2HD LYS 85 -16.226 -0.848 -4.052 677 1HE LYS 85 1HE LYS 85 -17.246 -2.852 -3.317 678 2HE LYS 85 2HE LYS 85 -18.683 -2.002 -2.757 679 1HZ LYS 85 1HZ LYS 85 -19.124 -3.131 -4.819 680 2HZ LYS 85 2HZ LYS 85 -17.836 -2.338 -5.585 681 3HZ LYS 85 3HZ LYS 85 -19.189 -1.455 -5.072 682 H ASN 86 H ASN 86 -17.619 3.403 -1.391 683 HA ASN 86 HA ASN 86 -19.825 3.898 -1.517 684 1HB ASN 86 1HB ASN 86 -20.215 1.557 -2.108 685 2HB ASN 86 2HB ASN 86 -20.269 1.120 -0.403 686 1HD2 ASN 86 1HD2 ASN 86 -22.103 1.526 0.772 687 2HD2 ASN 86 2HD2 ASN 86 -23.582 2.070 0.063 688 H ARG 87 H ARG 87 -19.369 2.052 1.504 689 HA ARG 87 HA ARG 87 -21.027 3.906 2.959 690 1HB ARG 87 1HB ARG 87 -20.960 1.505 3.545 691 2HB ARG 87 2HB ARG 87 -19.262 1.667 3.973 692 1HG ARG 87 1HG ARG 87 -19.807 3.144 5.790 693 2HG ARG 87 2HG ARG 87 -21.507 3.161 5.312 694 1HD ARG 87 1HD ARG 87 -19.945 0.765 6.267 695 2HD ARG 87 2HD ARG 87 -21.151 1.658 7.193 696 HE ARG 87 HE ARG 87 -22.410 0.854 4.864 697 1HH1 ARG 87 1HH1 ARG 87 -20.842 -0.690 7.582 698 2HH1 ARG 87 2HH1 ARG 87 -21.825 -2.121 7.510 699 1HH2 ARG 87 1HH2 ARG 87 -23.678 -1.035 4.727 700 2HH2 ARG 87 2HH2 ARG 87 -23.449 -2.317 5.883 701 H GLU 88 H GLU 88 -20.215 5.870 3.152 702 HA GLU 88 HA GLU 88 -17.410 6.397 3.318 703 1HB GLU 88 1HB GLU 88 -19.281 7.817 2.260 704 2HB GLU 88 2HB GLU 88 -19.623 8.351 3.897 705 1HG GLU 88 1HG GLU 88 -17.429 9.311 4.096 706 2HG GLU 88 2HG GLU 88 -16.968 8.664 2.518 707 H GLY 89 H GLY 89 -16.336 5.929 5.133 708 1HA GLY 89 1HA GLY 89 -17.589 5.950 7.722 709 2HA GLY 89 2HA GLY 89 -15.893 5.635 7.386 710 H VAL 90 H VAL 90 -14.419 7.293 7.478 711 HA VAL 90 HA VAL 90 -15.440 9.838 8.528 712 HB VAL 90 HB VAL 90 -12.633 8.723 8.681 713 1HG1 VAL 90 1HG1 VAL 90 -12.244 10.547 10.283 714 2HG1 VAL 90 2HG1 VAL 90 -13.865 11.162 9.959 715 3HG1 VAL 90 3HG1 VAL 90 -12.651 11.153 8.679 716 1HG2 VAL 90 1HG2 VAL 90 -14.751 8.932 10.819 717 2HG2 VAL 90 2HG2 VAL 90 -13.101 8.350 11.045 718 3HG2 VAL 90 3HG2 VAL 90 -14.226 7.443 10.034 719 H VAL 91 H VAL 91 -15.691 11.295 6.987 720 HA VAL 91 HA VAL 91 -14.121 11.096 4.549 721 HB VAL 91 HB VAL 91 -16.542 11.372 4.359 722 1HG1 VAL 91 1HG1 VAL 91 -16.951 12.685 6.371 723 2HG1 VAL 91 2HG1 VAL 91 -17.642 13.465 4.947 724 3HG1 VAL 91 3HG1 VAL 91 -16.138 14.069 5.640 725 1HG2 VAL 91 1HG2 VAL 91 -15.147 12.181 2.555 726 2HG2 VAL 91 2HG2 VAL 91 -14.994 13.749 3.348 727 3HG2 VAL 91 3HG2 VAL 91 -16.563 13.213 2.745 728 HA PRO 92 HA PRO 92 -11.457 14.456 5.800 729 1HB PRO 92 1HB PRO 92 -9.921 14.508 3.611 730 2HB PRO 92 2HB PRO 92 -9.849 13.143 4.736 731 1HG PRO 92 1HG PRO 92 -11.296 13.369 2.122 732 2HG PRO 92 2HG PRO 92 -10.317 12.029 2.745 733 1HD PRO 92 1HD PRO 92 -13.054 12.097 2.861 734 2HD PRO 92 2HD PRO 92 -12.037 11.194 4.001 735 HA PRO 93 HA PRO 93 -12.766 18.270 3.810 736 1HB PRO 93 1HB PRO 93 -9.975 18.698 2.860 737 2HB PRO 93 2HB PRO 93 -11.030 19.778 3.779 738 1HG PRO 93 1HG PRO 93 -9.022 18.507 4.973 739 2HG PRO 93 2HG PRO 93 -10.580 18.718 5.792 740 1HD PRO 93 1HD PRO 93 -9.435 16.288 4.491 741 2HD PRO 93 2HD PRO 93 -10.423 16.424 5.959 742 H VAL 94 H VAL 94 -13.307 19.103 1.784 743 HA VAL 94 HA VAL 94 -13.457 17.187 -0.298 744 HB VAL 94 HB VAL 94 -14.011 20.155 -0.462 745 1HG1 VAL 94 1HG1 VAL 94 -15.508 19.547 -2.306 746 2HG1 VAL 94 2HG1 VAL 94 -14.988 17.868 -2.170 747 3HG1 VAL 94 3HG1 VAL 94 -13.834 19.113 -2.653 748 1HG2 VAL 94 1HG2 VAL 94 -15.873 17.888 0.233 749 2HG2 VAL 94 2HG2 VAL 94 -16.335 19.577 0.021 750 3HG2 VAL 94 3HG2 VAL 94 -15.271 19.115 1.349 751 H GLY 95 H GLY 95 -11.426 20.011 0.236 752 1HA GLY 95 1HA GLY 95 -9.153 19.199 -0.945 753 2HA GLY 95 2HA GLY 95 -10.109 19.717 -2.327 754 H ILE 96 H ILE 96 -9.622 21.023 0.955 755 HA ILE 96 HA ILE 96 -9.469 23.697 -0.115 756 HB ILE 96 HB ILE 96 -9.039 22.774 2.735 757 1HG1 ILE 96 1HG1 ILE 96 -11.521 23.893 1.404 758 2HG1 ILE 96 2HG1 ILE 96 -11.291 22.213 1.881 759 1HG2 ILE 96 1HG2 ILE 96 -9.452 25.110 3.328 760 2HG2 ILE 96 2HG2 ILE 96 -9.611 25.521 1.619 761 3HG2 ILE 96 3HG2 ILE 96 -8.061 24.968 2.253 762 1HD1 ILE 96 1HD1 ILE 96 -11.152 22.900 4.218 763 2HD1 ILE 96 2HD1 ILE 96 -12.672 23.408 3.479 764 3HD1 ILE 96 3HD1 ILE 96 -11.380 24.582 3.737 765 H THR 97 H THR 97 -7.649 23.790 -1.347 766 HA THR 97 HA THR 97 -5.205 24.390 -0.082 767 HB THR 97 HB THR 97 -5.012 21.962 0.203 768 HG1 THR 97 HG1 THR 97 -2.969 22.234 -0.206 769 1HG2 THR 97 1HG2 THR 97 -4.841 20.474 -1.751 770 2HG2 THR 97 2HG2 THR 97 -5.282 21.820 -2.803 771 3HG2 THR 97 3HG2 THR 97 -6.439 21.210 -1.619 772 H ASN 98 H ASN 98 -3.697 25.262 -1.570 773 HA ASN 98 HA ASN 98 -4.330 25.177 -4.397 774 1HB ASN 98 1HB ASN 98 -4.501 27.569 -4.693 775 2HB ASN 98 2HB ASN 98 -5.712 27.050 -3.529 776 1HD2 ASN 98 1HD2 ASN 98 -2.873 28.914 -4.062 777 2HD2 ASN 98 2HD2 ASN 98 -2.824 29.684 -2.513 Start of MODEL 20 1 H MET 1 H MET 1 -16.487 6.477 -6.822 2 HA MET 1 HA MET 1 -16.093 6.053 -9.733 3 1HB MET 1 1HB MET 1 -16.333 8.646 -8.195 4 2HB MET 1 2HB MET 1 -16.180 8.463 -9.936 5 1HG MET 1 1HG MET 1 -18.518 7.665 -8.225 6 2HG MET 1 2HG MET 1 -18.446 8.986 -9.389 7 1HE MET 1 1HE MET 1 -20.696 8.110 -10.472 8 2HE MET 1 2HE MET 1 -20.747 6.776 -9.319 9 3HE MET 1 3HE MET 1 -20.932 6.457 -11.043 10 H LYS 2 H LYS 2 -14.805 8.138 -7.137 11 HA LYS 2 HA LYS 2 -12.100 7.346 -8.005 12 1HB LYS 2 1HB LYS 2 -12.772 9.756 -8.341 13 2HB LYS 2 2HB LYS 2 -12.888 9.904 -6.594 14 1HG LYS 2 1HG LYS 2 -10.783 10.782 -7.352 15 2HG LYS 2 2HG LYS 2 -10.507 9.313 -6.413 16 1HD LYS 2 1HD LYS 2 -9.105 9.315 -8.396 17 2HD LYS 2 2HD LYS 2 -10.312 8.035 -8.502 18 1HE LYS 2 1HE LYS 2 -11.695 9.486 -9.934 19 2HE LYS 2 2HE LYS 2 -10.444 10.725 -9.860 20 1HZ LYS 2 1HZ LYS 2 -9.960 7.987 -10.892 21 2HZ LYS 2 2HZ LYS 2 -8.940 9.337 -11.029 22 3HZ LYS 2 3HZ LYS 2 -10.400 9.284 -11.885 23 H SER 3 H SER 3 -14.059 8.315 -5.223 24 HA SER 3 HA SER 3 -14.067 7.707 -3.047 25 1HB SER 3 1HB SER 3 -12.608 5.243 -4.027 26 2HB SER 3 2HB SER 3 -13.471 5.404 -2.498 27 HG SER 3 HG SER 3 -15.204 6.107 -4.313 28 H SER 4 H SER 4 -12.654 9.485 -2.566 29 HA SER 4 HA SER 4 -9.846 8.824 -2.114 30 1HB SER 4 1HB SER 4 -11.275 11.475 -1.808 31 2HB SER 4 2HB SER 4 -9.531 11.216 -1.769 32 HG SER 4 HG SER 4 -10.513 10.142 -4.006 33 H ILE 5 H ILE 5 -9.334 7.972 -0.223 34 HA ILE 5 HA ILE 5 -10.691 8.946 2.207 35 HB ILE 5 HB ILE 5 -9.741 6.113 1.721 36 1HG1 ILE 5 1HG1 ILE 5 -12.575 7.168 1.827 37 2HG1 ILE 5 2HG1 ILE 5 -11.732 6.695 0.356 38 1HG2 ILE 5 1HG2 ILE 5 -10.909 5.595 3.809 39 2HG2 ILE 5 2HG2 ILE 5 -11.321 7.300 4.001 40 3HG2 ILE 5 3HG2 ILE 5 -9.635 6.788 4.061 41 1HD1 ILE 5 1HD1 ILE 5 -11.579 4.406 1.180 42 2HD1 ILE 5 2HD1 ILE 5 -13.252 4.958 1.108 43 3HD1 ILE 5 3HD1 ILE 5 -12.414 4.881 2.659 44 HA PRO 6 HA PRO 6 -6.479 9.897 3.423 45 1HB PRO 6 1HB PRO 6 -6.958 10.203 6.101 46 2HB PRO 6 2HB PRO 6 -7.289 11.443 4.889 47 1HG PRO 6 1HG PRO 6 -9.164 9.517 6.194 48 2HG PRO 6 2HG PRO 6 -9.413 11.224 5.786 49 1HD PRO 6 1HD PRO 6 -10.419 9.206 4.293 50 2HD PRO 6 2HD PRO 6 -9.917 10.752 3.587 51 H ILE 7 H ILE 7 -4.768 8.979 4.585 52 HA ILE 7 HA ILE 7 -4.809 6.170 4.695 53 HB ILE 7 HB ILE 7 -2.774 7.446 4.212 54 1HG1 ILE 7 1HG1 ILE 7 -1.209 6.096 5.537 55 2HG1 ILE 7 2HG1 ILE 7 -2.495 5.705 6.674 56 1HG2 ILE 7 1HG2 ILE 7 -3.055 9.285 5.751 57 2HG2 ILE 7 2HG2 ILE 7 -1.503 8.496 6.034 58 3HG2 ILE 7 3HG2 ILE 7 -2.856 8.200 7.125 59 1HD1 ILE 7 1HD1 ILE 7 -2.384 4.919 3.774 60 2HD1 ILE 7 2HD1 ILE 7 -3.700 4.548 4.887 61 3HD1 ILE 7 3HD1 ILE 7 -2.095 3.867 5.160 62 H THR 8 H THR 8 -5.461 8.558 7.124 63 HA THR 8 HA THR 8 -4.918 7.064 9.433 64 HB THR 8 HB THR 8 -5.335 9.510 9.429 65 HG1 THR 8 HG1 THR 8 -7.285 8.431 11.153 66 1HG2 THR 8 1HG2 THR 8 -8.230 8.725 9.077 67 2HG2 THR 8 2HG2 THR 8 -7.236 9.588 7.901 68 3HG2 THR 8 3HG2 THR 8 -7.640 10.347 9.440 69 H GLU 9 H GLU 9 -7.404 6.762 7.105 70 HA GLU 9 HA GLU 9 -9.026 5.095 8.890 71 1HB GLU 9 1HB GLU 9 -9.601 6.266 6.164 72 2HB GLU 9 2HB GLU 9 -10.689 5.178 7.015 73 1HG GLU 9 1HG GLU 9 -9.764 7.839 8.068 74 2HG GLU 9 2HG GLU 9 -11.295 7.562 7.235 75 H VAL 10 H VAL 10 -7.374 5.074 5.758 76 HA VAL 10 HA VAL 10 -8.161 2.435 5.084 77 HB VAL 10 HB VAL 10 -5.890 4.093 3.981 78 1HG1 VAL 10 1HG1 VAL 10 -5.538 1.741 3.501 79 2HG1 VAL 10 2HG1 VAL 10 -6.023 2.591 2.033 80 3HG1 VAL 10 3HG1 VAL 10 -7.190 1.594 2.900 81 1HG2 VAL 10 1HG2 VAL 10 -8.722 3.685 3.026 82 2HG2 VAL 10 2HG2 VAL 10 -7.465 4.545 2.139 83 3HG2 VAL 10 3HG2 VAL 10 -8.039 5.171 3.685 84 H LEU 11 H LEU 11 -5.348 3.750 6.748 85 HA LEU 11 HA LEU 11 -3.612 1.610 6.584 86 1HB LEU 11 1HB LEU 11 -2.719 3.543 7.486 87 2HB LEU 11 2HB LEU 11 -4.045 3.764 8.607 88 HG LEU 11 HG LEU 11 -3.202 1.878 9.953 89 1HD1 LEU 11 1HD1 LEU 11 -2.058 0.637 8.207 90 2HD1 LEU 11 2HD1 LEU 11 -0.963 1.002 9.539 91 3HD1 LEU 11 3HD1 LEU 11 -0.870 1.932 8.044 92 1HD2 LEU 11 1HD2 LEU 11 -2.583 4.152 10.531 93 2HD2 LEU 11 2HD2 LEU 11 -1.207 4.077 9.432 94 3HD2 LEU 11 3HD2 LEU 11 -1.249 3.049 10.864 95 HA PRO 12 HA PRO 12 -5.401 -0.432 10.569 96 1HB PRO 12 1HB PRO 12 -7.803 0.472 11.504 97 2HB PRO 12 2HB PRO 12 -6.239 1.053 12.087 98 1HG PRO 12 1HG PRO 12 -8.092 2.284 10.092 99 2HG PRO 12 2HG PRO 12 -7.171 3.059 11.395 100 1HD PRO 12 1HD PRO 12 -6.362 3.138 8.828 101 2HD PRO 12 2HD PRO 12 -5.216 3.069 10.178 102 H ARG 13 H ARG 13 -7.722 0.727 8.150 103 HA ARG 13 HA ARG 13 -9.363 -1.634 8.417 104 1HB ARG 13 1HB ARG 13 -9.453 0.577 6.363 105 2HB ARG 13 2HB ARG 13 -10.665 -0.667 6.582 106 1HG ARG 13 1HG ARG 13 -11.091 0.196 8.860 107 2HG ARG 13 2HG ARG 13 -9.946 1.500 8.536 108 1HD ARG 13 1HD ARG 13 -11.385 2.000 6.479 109 2HD ARG 13 2HD ARG 13 -12.595 0.964 7.228 110 HE ARG 13 HE ARG 13 -11.533 3.363 8.577 111 1HH1 ARG 13 1HH1 ARG 13 -14.217 1.292 7.661 112 2HH1 ARG 13 2HH1 ARG 13 -15.421 2.380 8.299 113 1HH2 ARG 13 1HH2 ARG 13 -13.144 4.811 9.365 114 2HH2 ARG 13 2HH2 ARG 13 -14.815 4.340 9.262 115 H ALA 14 H ALA 14 -6.429 -1.173 7.031 116 HA ALA 14 HA ALA 14 -6.921 -2.559 4.530 117 1HB ALA 14 1HB ALA 14 -4.331 -1.638 5.770 118 2HB ALA 14 2HB ALA 14 -5.288 -0.753 4.582 119 3HB ALA 14 3HB ALA 14 -4.522 -2.279 4.138 120 H VAL 15 H VAL 15 -6.104 -4.553 3.958 121 HA VAL 15 HA VAL 15 -5.347 -6.304 6.207 122 HB VAL 15 HB VAL 15 -6.284 -8.180 4.831 123 1HG1 VAL 15 1HG1 VAL 15 -8.628 -7.688 5.357 124 2HG1 VAL 15 2HG1 VAL 15 -8.215 -5.990 5.598 125 3HG1 VAL 15 3HG1 VAL 15 -7.554 -7.221 6.675 126 1HG2 VAL 15 1HG2 VAL 15 -6.206 -7.127 2.643 127 2HG2 VAL 15 2HG2 VAL 15 -7.380 -5.916 3.161 128 3HG2 VAL 15 3HG2 VAL 15 -7.860 -7.609 3.026 129 H GLY 16 H GLY 16 -4.106 -4.748 3.626 130 1HA GLY 16 1HA GLY 16 -1.745 -6.378 3.644 131 2HA GLY 16 2HA GLY 16 -2.620 -6.472 2.118 132 H SER 17 H SER 17 -0.008 -5.420 2.336 133 HA SER 17 HA SER 17 -0.548 -2.806 1.227 134 1HB SER 17 1HB SER 17 1.192 -1.699 2.645 135 2HB SER 17 2HB SER 17 -0.250 -2.184 3.534 136 HG SER 17 HG SER 17 2.315 -2.914 3.919 137 H LEU 18 H LEU 18 0.886 -2.150 -0.249 138 HA LEU 18 HA LEU 18 3.207 -3.896 -0.736 139 1HB LEU 18 1HB LEU 18 1.256 -2.599 -2.547 140 2HB LEU 18 2HB LEU 18 2.931 -2.576 -3.060 141 HG LEU 18 HG LEU 18 1.411 -5.086 -2.357 142 1HD1 LEU 18 1HD1 LEU 18 1.359 -5.501 -4.764 143 2HD1 LEU 18 2HD1 LEU 18 2.099 -3.928 -5.054 144 3HD1 LEU 18 3HD1 LEU 18 0.484 -4.028 -4.355 145 1HD2 LEU 18 1HD2 LEU 18 4.088 -4.666 -3.689 146 2HD2 LEU 18 2HD2 LEU 18 3.300 -6.218 -3.401 147 3HD2 LEU 18 3HD2 LEU 18 3.835 -5.235 -2.037 148 H THR 19 H THR 19 5.069 -2.993 -0.273 149 HA THR 19 HA THR 19 5.222 -0.098 0.047 150 HB THR 19 HB THR 19 7.359 -2.137 0.676 151 HG1 THR 19 HG1 THR 19 6.053 -2.759 2.228 152 1HG2 THR 19 1HG2 THR 19 6.846 0.663 1.688 153 2HG2 THR 19 2HG2 THR 19 8.137 0.170 0.592 154 3HG2 THR 19 3HG2 THR 19 8.125 -0.409 2.258 155 H PHE 20 H PHE 20 5.868 1.081 -1.612 156 HA PHE 20 HA PHE 20 7.767 -0.073 -3.547 157 1HB PHE 20 1HB PHE 20 5.535 1.919 -3.879 158 2HB PHE 20 2HB PHE 20 6.861 1.855 -5.028 159 HD1 PHE 20 HD1 PHE 20 4.336 -0.377 -3.428 160 HD2 PHE 20 HD2 PHE 20 6.657 0.541 -6.869 161 HE1 PHE 20 HE1 PHE 20 3.151 -2.125 -4.698 162 HE2 PHE 20 HE2 PHE 20 5.484 -1.213 -8.133 163 HZ PHE 20 HZ PHE 20 3.725 -2.538 -7.041 164 H ASP 21 H ASP 21 9.398 1.272 -4.358 165 HA ASP 21 HA ASP 21 10.346 3.272 -2.472 166 1HB ASP 21 1HB ASP 21 11.861 1.499 -3.351 167 2HB ASP 21 2HB ASP 21 11.644 2.145 -4.972 168 H GLU 22 H GLU 22 11.386 5.305 -3.496 169 HA GLU 22 HA GLU 22 9.430 6.749 -4.918 170 1HB GLU 22 1HB GLU 22 11.149 8.506 -5.084 171 2HB GLU 22 2HB GLU 22 11.006 7.876 -3.454 172 1HG GLU 22 1HG GLU 22 13.013 6.582 -3.728 173 2HG GLU 22 2HG GLU 22 13.125 7.047 -5.425 174 H ASN 23 H ASN 23 12.089 4.758 -5.885 175 HA ASN 23 HA ASN 23 12.068 5.618 -8.639 176 1HB ASN 23 1HB ASN 23 13.404 3.316 -7.209 177 2HB ASN 23 2HB ASN 23 13.577 3.616 -8.930 178 1HD2 ASN 23 1HD2 ASN 23 14.323 4.750 -5.729 179 2HD2 ASN 23 2HD2 ASN 23 15.569 5.867 -6.202 180 H TYR 24 H TYR 24 9.775 4.210 -7.001 181 HA TYR 24 HA TYR 24 7.967 2.947 -7.455 182 1HB TYR 24 1HB TYR 24 8.943 3.130 -10.312 183 2HB TYR 24 2HB TYR 24 7.337 2.606 -9.810 184 HD1 TYR 24 HD1 TYR 24 9.360 5.387 -10.705 185 HD2 TYR 24 HD2 TYR 24 5.943 4.279 -8.429 186 HE1 TYR 24 HE1 TYR 24 8.616 7.730 -10.695 187 HE2 TYR 24 HE2 TYR 24 5.188 6.618 -8.414 188 HH TYR 24 HH TYR 24 6.247 8.890 -8.633 189 H ASN 25 H ASN 25 10.519 1.716 -6.820 190 HA ASN 25 HA ASN 25 10.331 -0.897 -8.103 191 1HB ASN 25 1HB ASN 25 12.238 0.133 -5.985 192 2HB ASN 25 2HB ASN 25 12.334 -1.444 -6.757 193 1HD2 ASN 25 1HD2 ASN 25 14.227 0.794 -6.666 194 2HD2 ASN 25 2HD2 ASN 25 14.582 1.163 -8.325 195 H LEU 26 H LEU 26 9.376 -2.631 -7.142 196 HA LEU 26 HA LEU 26 7.867 -2.267 -4.755 197 1HB LEU 26 1HB LEU 26 7.426 -3.850 -6.752 198 2HB LEU 26 2HB LEU 26 8.560 -4.931 -5.971 199 HG LEU 26 HG LEU 26 6.049 -3.915 -4.635 200 1HD1 LEU 26 1HD1 LEU 26 5.476 -5.211 -6.618 201 2HD1 LEU 26 2HD1 LEU 26 5.078 -6.090 -5.141 202 3HD1 LEU 26 3HD1 LEU 26 6.515 -6.525 -6.065 203 1HD2 LEU 26 1HD2 LEU 26 7.808 -4.681 -3.114 204 2HD2 LEU 26 2HD2 LEU 26 7.881 -6.218 -3.974 205 3HD2 LEU 26 3HD2 LEU 26 6.418 -5.766 -3.099 206 H LEU 27 H LEU 27 8.633 -2.301 -2.766 207 HA LEU 27 HA LEU 27 11.271 -3.466 -2.268 208 1HB LEU 27 1HB LEU 27 9.580 -1.655 -0.545 209 2HB LEU 27 2HB LEU 27 11.217 -2.171 -0.187 210 HG LEU 27 HG LEU 27 10.424 -0.463 -2.547 211 1HD1 LEU 27 1HD1 LEU 27 11.719 0.276 0.072 212 2HD1 LEU 27 2HD1 LEU 27 10.103 0.736 -0.468 213 3HD1 LEU 27 3HD1 LEU 27 11.525 1.351 -1.311 214 1HD2 LEU 27 1HD2 LEU 27 12.838 -0.109 -2.784 215 2HD2 LEU 27 2HD2 LEU 27 12.409 -1.809 -2.972 216 3HD2 LEU 27 3HD2 LEU 27 13.130 -1.243 -1.465 217 H ASP 28 H ASP 28 8.021 -3.397 -0.836 218 HA ASP 28 HA ASP 28 8.586 -5.980 0.442 219 1HB ASP 28 1HB ASP 28 9.039 -4.368 2.164 220 2HB ASP 28 2HB ASP 28 7.557 -3.491 1.809 221 H THR 29 H THR 29 6.895 -7.363 0.544 222 HA THR 29 HA THR 29 4.236 -6.351 -0.245 223 HB THR 29 HB THR 29 5.322 -9.120 -0.797 224 HG1 THR 29 HG1 THR 29 5.875 -6.812 -2.036 225 1HG2 THR 29 1HG2 THR 29 2.890 -8.992 -0.678 226 2HG2 THR 29 2HG2 THR 29 3.412 -9.256 -2.342 227 3HG2 THR 29 3HG2 THR 29 2.890 -7.651 -1.825 228 H SER 30 H SER 30 2.882 -6.457 1.467 229 HA SER 30 HA SER 30 3.207 -8.710 3.328 230 1HB SER 30 1HB SER 30 2.773 -5.806 4.063 231 2HB SER 30 2HB SER 30 2.692 -7.151 5.202 232 HG SER 30 HG SER 30 4.936 -6.172 3.766 233 H GLY 31 H GLY 31 1.359 -9.478 4.318 234 1HA GLY 31 1HA GLY 31 -0.889 -9.738 4.764 235 2HA GLY 31 2HA GLY 31 -1.170 -8.148 4.070 236 H VAL 32 H VAL 32 -3.008 -8.829 2.990 237 HA VAL 32 HA VAL 32 -3.171 -11.081 1.313 238 HB VAL 32 HB VAL 32 -4.760 -8.519 1.073 239 1HG1 VAL 32 1HG1 VAL 32 -6.496 -9.936 0.124 240 2HG1 VAL 32 2HG1 VAL 32 -5.447 -11.346 0.274 241 3HG1 VAL 32 3HG1 VAL 32 -5.016 -10.041 -0.830 242 1HG2 VAL 32 1HG2 VAL 32 -4.799 -9.373 3.358 243 2HG2 VAL 32 2HG2 VAL 32 -5.292 -10.960 2.765 244 3HG2 VAL 32 3HG2 VAL 32 -6.368 -9.574 2.577 245 H ALA 33 H ALA 33 -1.583 -8.103 0.857 246 HA ALA 33 HA ALA 33 -1.779 -7.784 -1.932 247 1HB ALA 33 1HB ALA 33 0.188 -6.367 -1.739 248 2HB ALA 33 2HB ALA 33 0.494 -6.988 -0.117 249 3HB ALA 33 3HB ALA 33 -0.953 -6.031 -0.437 250 H LYS 34 H LYS 34 -0.175 -10.144 -0.063 251 HA LYS 34 HA LYS 34 1.917 -10.765 -1.904 252 1HB LYS 34 1HB LYS 34 0.677 -12.417 0.302 253 2HB LYS 34 2HB LYS 34 2.137 -12.837 -0.576 254 1HG LYS 34 1HG LYS 34 3.240 -10.836 0.280 255 2HG LYS 34 2HG LYS 34 1.775 -10.418 1.171 256 1HD LYS 34 1HD LYS 34 3.372 -12.948 1.548 257 2HD LYS 34 2HD LYS 34 3.464 -11.524 2.585 258 1HE LYS 34 1HE LYS 34 1.122 -11.778 3.180 259 2HE LYS 34 2HE LYS 34 0.976 -13.154 2.089 260 1HZ LYS 34 1HZ LYS 34 1.262 -13.726 4.479 261 2HZ LYS 34 2HZ LYS 34 2.834 -13.095 4.402 262 3HZ LYS 34 3HZ LYS 34 2.409 -14.429 3.452 263 H VAL 35 H VAL 35 -1.386 -11.901 -1.404 264 HA VAL 35 HA VAL 35 -1.052 -13.978 -3.415 265 HB VAL 35 HB VAL 35 -3.314 -14.685 -2.872 266 1HG1 VAL 35 1HG1 VAL 35 -1.685 -14.108 -0.401 267 2HG1 VAL 35 2HG1 VAL 35 -1.497 -15.495 -1.474 268 3HG1 VAL 35 3HG1 VAL 35 -2.973 -15.306 -0.530 269 1HG2 VAL 35 1HG2 VAL 35 -4.636 -13.577 -1.144 270 2HG2 VAL 35 2HG2 VAL 35 -4.320 -12.487 -2.495 271 3HG2 VAL 35 3HG2 VAL 35 -3.405 -12.321 -0.996 272 H ILE 36 H ILE 36 -2.209 -10.773 -3.137 273 HA ILE 36 HA ILE 36 -3.799 -10.756 -5.521 274 HB ILE 36 HB ILE 36 -2.633 -8.582 -3.785 275 1HG1 ILE 36 1HG1 ILE 36 -5.516 -9.269 -4.355 276 2HG1 ILE 36 2HG1 ILE 36 -4.610 -9.983 -3.028 277 1HG2 ILE 36 1HG2 ILE 36 -3.866 -6.940 -5.094 278 2HG2 ILE 36 2HG2 ILE 36 -4.360 -8.200 -6.223 279 3HG2 ILE 36 3HG2 ILE 36 -2.658 -7.759 -6.085 280 1HD1 ILE 36 1HD1 ILE 36 -5.167 -7.050 -3.407 281 2HD1 ILE 36 2HD1 ILE 36 -4.265 -7.766 -2.071 282 3HD1 ILE 36 3HD1 ILE 36 -5.982 -8.128 -2.273 283 H GLU 37 H GLU 37 -3.182 -10.125 -7.584 284 HA GLU 37 HA GLU 37 -0.471 -10.562 -8.285 285 1HB GLU 37 1HB GLU 37 -1.203 -9.825 -10.569 286 2HB GLU 37 2HB GLU 37 -2.126 -11.154 -9.884 287 1HG GLU 37 1HG GLU 37 -3.896 -9.573 -9.254 288 2HG GLU 37 2HG GLU 37 -2.972 -8.270 -10.003 289 H LYS 38 H LYS 38 1.154 -9.215 -8.679 290 HA LYS 38 HA LYS 38 1.227 -6.783 -7.323 291 1HB LYS 38 1HB LYS 38 3.047 -8.150 -9.253 292 2HB LYS 38 2HB LYS 38 3.376 -6.479 -8.821 293 1HG LYS 38 1HG LYS 38 4.616 -8.148 -7.468 294 2HG LYS 38 2HG LYS 38 3.625 -7.042 -6.518 295 1HD LYS 38 1HD LYS 38 1.940 -8.730 -6.211 296 2HD LYS 38 2HD LYS 38 2.774 -9.823 -7.317 297 1HE LYS 38 1HE LYS 38 3.943 -8.802 -4.735 298 2HE LYS 38 2HE LYS 38 3.112 -10.348 -4.902 299 1HZ LYS 38 1HZ LYS 38 5.535 -10.562 -5.055 300 2HZ LYS 38 2HZ LYS 38 5.544 -9.552 -6.414 301 3HZ LYS 38 3HZ LYS 38 4.768 -11.058 -6.486 302 H SER 39 H SER 39 0.881 -7.414 -10.797 303 HA SER 39 HA SER 39 -0.030 -6.166 -12.465 304 1HB SER 39 1HB SER 39 -1.126 -4.481 -10.197 305 2HB SER 39 2HB SER 39 -1.725 -4.511 -11.856 306 HG SER 39 HG SER 39 -1.857 -6.537 -9.881 307 HA PRO 40 HA PRO 40 2.486 -2.490 -13.163 308 1HB PRO 40 1HB PRO 40 0.399 -1.111 -14.639 309 2HB PRO 40 2HB PRO 40 1.862 -1.880 -15.256 310 1HG PRO 40 1HG PRO 40 -0.632 -2.841 -15.738 311 2HG PRO 40 2HG PRO 40 0.807 -3.874 -15.652 312 1HD PRO 40 1HD PRO 40 -1.289 -3.368 -13.570 313 2HD PRO 40 2HD PRO 40 -0.508 -4.896 -14.038 314 H ILE 41 H ILE 41 1.233 -2.438 -10.681 315 HA ILE 41 HA ILE 41 -0.471 -0.248 -10.223 316 HB ILE 41 HB ILE 41 1.386 -1.699 -8.339 317 1HG1 ILE 41 1HG1 ILE 41 -1.591 -1.846 -8.817 318 2HG1 ILE 41 2HG1 ILE 41 -0.406 -3.070 -9.250 319 1HG2 ILE 41 1HG2 ILE 41 -0.762 0.316 -7.691 320 2HG2 ILE 41 2HG2 ILE 41 0.973 0.530 -7.463 321 3HG2 ILE 41 3HG2 ILE 41 0.100 -0.673 -6.514 322 1HD1 ILE 41 1HD1 ILE 41 0.097 -3.387 -6.863 323 2HD1 ILE 41 2HD1 ILE 41 -1.586 -3.738 -7.264 324 3HD1 ILE 41 3HD1 ILE 41 -1.167 -2.221 -6.467 325 H ALA 42 H ALA 42 3.025 -0.495 -10.384 326 HA ALA 42 HA ALA 42 3.709 1.894 -9.092 327 1HB ALA 42 1HB ALA 42 5.352 0.187 -9.700 328 2HB ALA 42 2HB ALA 42 5.819 1.778 -10.302 329 3HB ALA 42 3HB ALA 42 5.135 0.583 -11.404 330 H GLU 43 H GLU 43 2.597 1.292 -12.360 331 HA GLU 43 HA GLU 43 3.111 3.879 -13.412 332 1HB GLU 43 1HB GLU 43 2.540 1.710 -14.673 333 2HB GLU 43 2HB GLU 43 0.864 2.062 -14.278 334 1HG GLU 43 1HG GLU 43 1.165 2.897 -16.431 335 2HG GLU 43 2HG GLU 43 1.242 4.316 -15.386 336 H ILE 44 H ILE 44 0.429 2.422 -11.672 337 HA ILE 44 HA ILE 44 -1.280 4.711 -11.990 338 HB ILE 44 HB ILE 44 -1.653 2.548 -9.931 339 1HG1 ILE 44 1HG1 ILE 44 -1.229 1.448 -12.094 340 2HG1 ILE 44 2HG1 ILE 44 -2.911 1.266 -11.610 341 1HG2 ILE 44 1HG2 ILE 44 -3.601 4.253 -11.488 342 2HG2 ILE 44 2HG2 ILE 44 -3.124 4.505 -9.811 343 3HG2 ILE 44 3HG2 ILE 44 -4.025 3.059 -10.263 344 1HD1 ILE 44 1HD1 ILE 44 -1.870 3.245 -13.624 345 2HD1 ILE 44 2HD1 ILE 44 -3.556 3.032 -13.154 346 3HD1 ILE 44 3HD1 ILE 44 -2.703 1.734 -13.988 347 H ILE 45 H ILE 45 1.100 3.577 -9.722 348 HA ILE 45 HA ILE 45 0.437 5.174 -7.507 349 HB ILE 45 HB ILE 45 3.112 4.087 -8.398 350 1HG1 ILE 45 1HG1 ILE 45 1.185 3.237 -6.226 351 2HG1 ILE 45 2HG1 ILE 45 1.430 2.414 -7.761 352 1HG2 ILE 45 1HG2 ILE 45 2.410 5.440 -5.795 353 2HG2 ILE 45 2HG2 ILE 45 3.491 6.067 -7.039 354 3HG2 ILE 45 3HG2 ILE 45 3.928 4.613 -6.144 355 1HD1 ILE 45 1HD1 ILE 45 3.720 1.894 -7.132 356 2HD1 ILE 45 2HD1 ILE 45 2.580 1.288 -5.928 357 3HD1 ILE 45 3HD1 ILE 45 3.505 2.755 -5.609 358 H ARG 46 H ARG 46 2.626 5.789 -10.248 359 HA ARG 46 HA ARG 46 3.396 8.366 -9.392 360 1HB ARG 46 1HB ARG 46 4.074 8.694 -11.779 361 2HB ARG 46 2HB ARG 46 4.767 7.281 -11.003 362 1HG ARG 46 1HG ARG 46 3.110 5.876 -12.117 363 2HG ARG 46 2HG ARG 46 2.437 7.301 -12.904 364 1HD ARG 46 1HD ARG 46 5.276 6.342 -13.211 365 2HD ARG 46 2HD ARG 46 3.973 5.997 -14.345 366 HE ARG 46 HE ARG 46 4.481 8.809 -13.805 367 1HH1 ARG 46 1HH1 ARG 46 4.845 6.059 -15.943 368 2HH1 ARG 46 2HH1 ARG 46 5.502 7.004 -17.254 369 1HH2 ARG 46 1HH2 ARG 46 5.304 10.068 -15.546 370 2HH2 ARG 46 2HH2 ARG 46 5.733 9.280 -17.034 371 H LYS 47 H LYS 47 0.817 7.249 -11.554 372 HA LYS 47 HA LYS 47 -0.143 9.782 -12.293 373 1HB LYS 47 1HB LYS 47 -1.678 7.193 -11.969 374 2HB LYS 47 2HB LYS 47 -2.273 8.621 -12.806 375 1HG LYS 47 1HG LYS 47 -0.455 8.428 -14.426 376 2HG LYS 47 2HG LYS 47 0.138 6.996 -13.587 377 1HD LYS 47 1HD LYS 47 -2.037 5.889 -14.040 378 2HD LYS 47 2HD LYS 47 -2.522 7.301 -14.981 379 1HE LYS 47 1HE LYS 47 -0.564 6.946 -16.450 380 2HE LYS 47 2HE LYS 47 -0.178 5.487 -15.541 381 1HZ LYS 47 1HZ LYS 47 -1.364 4.924 -17.537 382 2HZ LYS 47 2HZ LYS 47 -2.638 5.969 -17.137 383 3HZ LYS 47 3HZ LYS 47 -2.354 4.585 -16.202 384 H SER 48 H SER 48 -1.097 7.651 -9.616 385 HA SER 48 HA SER 48 -3.036 9.416 -8.549 386 1HB SER 48 1HB SER 48 -1.499 7.261 -7.090 387 2HB SER 48 2HB SER 48 -3.054 7.951 -6.632 388 HG SER 48 HG SER 48 -2.463 6.329 -8.883 389 H ASN 49 H ASN 49 0.409 9.190 -8.262 390 HA ASN 49 HA ASN 49 0.730 10.604 -5.842 391 1HB ASN 49 1HB ASN 49 2.595 9.366 -6.684 392 2HB ASN 49 2HB ASN 49 2.546 10.210 -8.227 393 1HD2 ASN 49 1HD2 ASN 49 3.575 12.133 -8.445 394 2HD2 ASN 49 2HD2 ASN 49 4.544 12.852 -7.206 395 H ALA 50 H ALA 50 0.417 11.592 -9.192 396 HA ALA 50 HA ALA 50 0.839 14.384 -8.645 397 1HB ALA 50 1HB ALA 50 0.233 14.733 -10.968 398 2HB ALA 50 2HB ALA 50 -0.362 13.077 -11.086 399 3HB ALA 50 3HB ALA 50 1.358 13.379 -10.838 400 H GLU 51 H GLU 51 -1.802 12.182 -8.603 401 HA GLU 51 HA GLU 51 -3.881 14.142 -8.832 402 1HB GLU 51 1HB GLU 51 -3.906 11.253 -7.965 403 2HB GLU 51 2HB GLU 51 -5.353 12.238 -8.125 404 1HG GLU 51 1HG GLU 51 -3.430 11.717 -10.375 405 2HG GLU 51 2HG GLU 51 -4.869 10.747 -10.063 406 H LEU 52 H LEU 52 -2.248 12.542 -6.118 407 HA LEU 52 HA LEU 52 -3.826 14.170 -4.268 408 1HB LEU 52 1HB LEU 52 -4.279 12.143 -2.880 409 2HB LEU 52 2HB LEU 52 -5.148 12.218 -4.400 410 HG LEU 52 HG LEU 52 -3.404 10.670 -5.364 411 1HD1 LEU 52 1HD1 LEU 52 -1.651 11.016 -3.699 412 2HD1 LEU 52 2HD1 LEU 52 -2.105 9.315 -3.824 413 3HD1 LEU 52 3HD1 LEU 52 -2.678 10.284 -2.465 414 1HD2 LEU 52 1HD2 LEU 52 -5.125 9.745 -3.087 415 2HD2 LEU 52 2HD2 LEU 52 -4.365 8.684 -4.273 416 3HD2 LEU 52 3HD2 LEU 52 -5.573 9.864 -4.791 417 H GLY 53 H GLY 53 -3.164 13.564 -1.917 418 1HA GLY 53 1HA GLY 53 -0.256 13.079 -1.784 419 2HA GLY 53 2HA GLY 53 -1.067 14.258 -0.761 420 H ARG 54 H ARG 54 -2.552 13.495 0.854 421 HA ARG 54 HA ARG 54 -1.738 10.924 1.962 422 1HB ARG 54 1HB ARG 54 -2.920 13.411 3.006 423 2HB ARG 54 2HB ARG 54 -3.483 11.938 3.777 424 1HG ARG 54 1HG ARG 54 -1.586 12.953 4.947 425 2HG ARG 54 2HG ARG 54 -1.230 11.327 4.362 426 1HD ARG 54 1HD ARG 54 -0.016 12.242 2.476 427 2HD ARG 54 2HD ARG 54 -0.440 13.881 2.964 428 HE ARG 54 HE ARG 54 0.854 13.154 5.124 429 1HH1 ARG 54 1HH1 ARG 54 1.644 12.342 1.810 430 2HH1 ARG 54 2HH1 ARG 54 3.360 12.305 2.082 431 1HH2 ARG 54 1HH2 ARG 54 3.129 13.102 5.495 432 2HH2 ARG 54 2HH2 ARG 54 4.192 12.733 4.167 433 H LEU 55 H LEU 55 -3.863 11.526 -0.275 434 HA LEU 55 HA LEU 55 -6.127 10.098 0.892 435 1HB LEU 55 1HB LEU 55 -5.764 11.456 -1.778 436 2HB LEU 55 2HB LEU 55 -7.174 10.495 -1.382 437 HG LEU 55 HG LEU 55 -7.787 12.760 -1.091 438 1HD1 LEU 55 1HD1 LEU 55 -8.624 11.281 0.635 439 2HD1 LEU 55 2HD1 LEU 55 -8.327 12.892 1.289 440 3HD1 LEU 55 3HD1 LEU 55 -7.189 11.585 1.616 441 1HD2 LEU 55 1HD2 LEU 55 -5.334 13.105 0.630 442 2HD2 LEU 55 2HD2 LEU 55 -6.577 14.326 0.348 443 3HD2 LEU 55 3HD2 LEU 55 -5.575 13.762 -0.991 444 H GLY 56 H GLY 56 -7.011 8.214 -0.175 445 1HA GLY 56 1HA GLY 56 -4.855 6.588 -1.343 446 2HA GLY 56 2HA GLY 56 -6.227 5.959 -0.450 447 H TYR 57 H TYR 57 -5.049 7.069 -3.492 448 HA TYR 57 HA TYR 57 -7.473 6.886 -4.977 449 1HB TYR 57 1HB TYR 57 -5.359 8.060 -5.709 450 2HB TYR 57 2HB TYR 57 -4.637 6.484 -5.968 451 HD1 TYR 57 HD1 TYR 57 -5.910 4.928 -7.662 452 HD2 TYR 57 HD2 TYR 57 -6.413 9.145 -7.439 453 HE1 TYR 57 HE1 TYR 57 -6.726 4.946 -9.979 454 HE2 TYR 57 HE2 TYR 57 -7.241 9.174 -9.752 455 HH TYR 57 HH TYR 57 -6.928 7.659 -11.836 456 H SER 58 H SER 58 -8.560 5.064 -5.483 457 HA SER 58 HA SER 58 -7.523 2.490 -4.901 458 1HB SER 58 1HB SER 58 -9.893 3.221 -6.641 459 2HB SER 58 2HB SER 58 -9.583 1.651 -5.900 460 HG SER 58 HG SER 58 -10.960 3.560 -4.853 461 H VAL 59 H VAL 59 -5.882 1.668 -5.988 462 HA VAL 59 HA VAL 59 -5.545 2.331 -8.822 463 HB VAL 59 HB VAL 59 -3.237 1.592 -8.576 464 1HG1 VAL 59 1HG1 VAL 59 -3.768 3.902 -8.025 465 2HG1 VAL 59 2HG1 VAL 59 -2.454 3.303 -7.013 466 3HG1 VAL 59 3HG1 VAL 59 -4.083 3.442 -6.352 467 1HG2 VAL 59 1HG2 VAL 59 -3.975 0.960 -5.719 468 2HG2 VAL 59 2HG2 VAL 59 -2.341 0.938 -6.382 469 3HG2 VAL 59 3HG2 VAL 59 -3.546 -0.208 -6.969 470 H TYR 60 H TYR 60 -6.215 -0.301 -6.688 471 HA TYR 60 HA TYR 60 -6.435 -2.066 -9.021 472 1HB TYR 60 1HB TYR 60 -4.302 -2.586 -7.907 473 2HB TYR 60 2HB TYR 60 -5.149 -2.807 -6.382 474 HD1 TYR 60 HD1 TYR 60 -4.460 -4.252 -9.678 475 HD2 TYR 60 HD2 TYR 60 -6.437 -4.821 -5.955 476 HE1 TYR 60 HE1 TYR 60 -4.772 -6.631 -10.212 477 HE2 TYR 60 HE2 TYR 60 -6.752 -7.201 -6.480 478 HH TYR 60 HH TYR 60 -6.896 -8.624 -8.571 479 H GLU 61 H GLU 61 -8.592 -2.386 -9.107 480 HA GLU 61 HA GLU 61 -9.929 -3.061 -6.574 481 1HB GLU 61 1HB GLU 61 -10.898 -1.110 -7.762 482 2HB GLU 61 2HB GLU 61 -11.216 -2.140 -9.154 483 1HG GLU 61 1HG GLU 61 -12.667 -3.545 -7.745 484 2HG GLU 61 2HG GLU 61 -12.399 -2.437 -6.403 485 H ASP 62 H ASP 62 -10.158 -5.147 -6.284 486 HA ASP 62 HA ASP 62 -10.457 -6.895 -8.630 487 1HB ASP 62 1HB ASP 62 -8.479 -7.168 -6.979 488 2HB ASP 62 2HB ASP 62 -9.680 -7.795 -5.857 489 H ALA 63 H ALA 63 -11.524 -9.117 -7.314 490 HA ALA 63 HA ALA 63 -14.226 -8.136 -6.954 491 1HB ALA 63 1HB ALA 63 -14.883 -10.483 -7.053 492 2HB ALA 63 2HB ALA 63 -13.188 -10.967 -7.022 493 3HB ALA 63 3HB ALA 63 -13.823 -10.068 -8.400 494 H GLN 64 H GLN 64 -11.608 -9.164 -4.992 495 HA GLN 64 HA GLN 64 -13.424 -9.468 -2.693 496 1HB GLN 64 1HB GLN 64 -10.531 -10.304 -2.823 497 2HB GLN 64 2HB GLN 64 -11.668 -10.642 -1.534 498 1HG GLN 64 1HG GLN 64 -11.589 -12.644 -2.661 499 2HG GLN 64 2HG GLN 64 -13.023 -11.882 -3.340 500 1HE2 GLN 64 1HE2 GLN 64 -9.678 -11.093 -4.126 501 2HE2 GLN 64 2HE2 GLN 64 -9.764 -11.585 -5.777 502 H TYR 65 H TYR 65 -10.483 -7.801 -3.782 503 HA TYR 65 HA TYR 65 -10.724 -6.053 -1.433 504 1HB TYR 65 1HB TYR 65 -8.098 -7.124 -2.477 505 2HB TYR 65 2HB TYR 65 -8.337 -6.122 -1.053 506 HD1 TYR 65 HD1 TYR 65 -8.437 -9.475 -2.409 507 HD2 TYR 65 HD2 TYR 65 -9.407 -7.082 0.968 508 HE1 TYR 65 HE1 TYR 65 -8.701 -11.506 -1.053 509 HE2 TYR 65 HE2 TYR 65 -9.667 -9.108 2.337 510 HH TYR 65 HH TYR 65 -8.665 -12.213 1.228 511 H ILE 66 H ILE 66 -9.400 -4.062 -1.625 512 HA ILE 66 HA ILE 66 -9.054 -3.137 -4.388 513 HB ILE 66 HB ILE 66 -10.529 -1.642 -2.211 514 1HG1 ILE 66 1HG1 ILE 66 -11.550 -2.690 -4.857 515 2HG1 ILE 66 2HG1 ILE 66 -11.825 -3.466 -3.302 516 1HG2 ILE 66 1HG2 ILE 66 -9.198 -0.133 -3.565 517 2HG2 ILE 66 2HG2 ILE 66 -10.908 0.066 -3.952 518 3HG2 ILE 66 3HG2 ILE 66 -9.856 -0.839 -5.041 519 1HD1 ILE 66 1HD1 ILE 66 -12.771 -0.725 -4.103 520 2HD1 ILE 66 2HD1 ILE 66 -13.039 -1.488 -2.537 521 3HD1 ILE 66 3HD1 ILE 66 -13.760 -2.182 -3.991 522 H GLY 67 H GLY 67 -7.136 -2.205 -4.634 523 1HA GLY 67 1HA GLY 67 -5.567 -1.531 -2.247 524 2HA GLY 67 2HA GLY 67 -4.930 -1.770 -3.868 525 H HIS 68 H HIS 68 -4.662 0.448 -1.882 526 HA HIS 68 HA HIS 68 -5.509 2.658 -3.641 527 1HB HIS 68 1HB HIS 68 -5.423 2.884 -0.626 528 2HB HIS 68 2HB HIS 68 -6.124 4.015 -1.774 529 HD1 HIS 68 HD1 HIS 68 -8.528 3.526 -2.606 530 HD2 HIS 68 HD2 HIS 68 -7.020 0.672 0.020 531 HE1 HIS 68 HE1 HIS 68 -10.501 2.120 -1.922 532 HE2 HIS 68 HE2 HIS 68 -9.548 0.353 -0.387 533 H ALA 69 H ALA 69 -3.852 3.967 -4.221 534 HA ALA 69 HA ALA 69 -1.222 3.462 -3.100 535 1HB ALA 69 1HB ALA 69 -1.401 3.784 -5.494 536 2HB ALA 69 2HB ALA 69 -0.429 5.077 -4.785 537 3HB ALA 69 3HB ALA 69 -2.101 5.386 -5.249 538 H PHE 70 H PHE 70 -0.351 4.534 -1.473 539 HA PHE 70 HA PHE 70 -1.344 7.241 -0.881 540 1HB PHE 70 1HB PHE 70 -0.460 5.015 0.930 541 2HB PHE 70 2HB PHE 70 -0.406 6.691 1.469 542 HD1 PHE 70 HD1 PHE 70 -2.554 3.884 0.581 543 HD2 PHE 70 HD2 PHE 70 -2.423 7.948 1.815 544 HE1 PHE 70 HE1 PHE 70 -4.931 3.771 1.185 545 HE2 PHE 70 HE2 PHE 70 -4.799 7.847 2.425 546 HZ PHE 70 HZ PHE 70 -6.060 5.754 2.110 547 H LYS 71 H LYS 71 0.081 8.853 -0.621 548 HA LYS 71 HA LYS 71 2.856 8.376 -1.266 549 1HB LYS 71 1HB LYS 71 1.161 10.793 -0.813 550 2HB LYS 71 2HB LYS 71 2.898 10.950 -0.609 551 1HG LYS 71 1HG LYS 71 2.407 11.619 -2.813 552 2HG LYS 71 2HG LYS 71 3.150 10.028 -2.933 553 1HD LYS 71 1HD LYS 71 0.178 10.218 -2.800 554 2HD LYS 71 2HD LYS 71 0.988 10.641 -4.308 555 1HE LYS 71 1HE LYS 71 2.023 8.457 -4.407 556 2HE LYS 71 2HE LYS 71 1.345 8.032 -2.836 557 1HZ LYS 71 1HZ LYS 71 0.090 7.098 -4.706 558 2HZ LYS 71 2HZ LYS 71 -0.261 8.658 -5.250 559 3HZ LYS 71 3HZ LYS 71 -0.857 8.130 -3.757 560 H LYS 72 H LYS 72 4.456 8.115 0.137 561 HA LYS 72 HA LYS 72 3.892 8.556 2.999 562 1HB LYS 72 1HB LYS 72 5.747 6.473 1.828 563 2HB LYS 72 2HB LYS 72 5.272 6.641 3.511 564 1HG LYS 72 1HG LYS 72 3.403 5.936 1.258 565 2HG LYS 72 2HG LYS 72 4.150 4.777 2.357 566 1HD LYS 72 1HD LYS 72 2.326 7.030 3.192 567 2HD LYS 72 2HD LYS 72 1.829 5.349 2.986 568 1HE LYS 72 1HE LYS 72 3.427 4.679 4.724 569 2HE LYS 72 2HE LYS 72 3.895 6.367 4.937 570 1HZ LYS 72 1HZ LYS 72 1.202 5.220 5.428 571 2HZ LYS 72 2HZ LYS 72 1.603 6.862 5.575 572 3HZ LYS 72 3HZ LYS 72 2.307 5.717 6.612 573 H ALA 73 H ALA 73 6.179 8.535 4.199 574 HA ALA 73 HA ALA 73 7.523 10.872 3.378 575 1HB ALA 73 1HB ALA 73 9.082 10.409 5.179 576 2HB ALA 73 2HB ALA 73 8.473 8.758 5.305 577 3HB ALA 73 3HB ALA 73 7.424 10.116 5.708 578 H GLY 74 H GLY 74 8.328 10.737 1.332 579 1HA GLY 74 1HA GLY 74 10.026 10.433 -0.189 580 2HA GLY 74 2HA GLY 74 10.918 9.563 1.049 581 H HIS 75 H HIS 75 7.869 8.207 0.690 582 HA HIS 75 HA HIS 75 8.782 6.302 -1.324 583 1HB HIS 75 1HB HIS 75 8.279 5.656 1.556 584 2HB HIS 75 2HB HIS 75 7.974 4.443 0.318 585 HD1 HIS 75 HD1 HIS 75 10.403 4.918 2.629 586 HD2 HIS 75 HD2 HIS 75 10.592 4.776 -1.525 587 HE1 HIS 75 HE1 HIS 75 12.782 4.312 2.070 588 HE2 HIS 75 HE2 HIS 75 12.918 4.477 -0.441 589 H PHE 76 H PHE 76 7.018 4.547 -1.608 590 HA PHE 76 HA PHE 76 4.370 5.825 -1.489 591 1HB PHE 76 1HB PHE 76 5.563 4.300 -3.819 592 2HB PHE 76 2HB PHE 76 3.919 4.933 -3.751 593 HD1 PHE 76 HD1 PHE 76 3.700 7.495 -3.408 594 HD2 PHE 76 HD2 PHE 76 7.248 5.567 -4.747 595 HE1 PHE 76 HE1 PHE 76 4.485 9.615 -4.370 596 HE2 PHE 76 HE2 PHE 76 8.040 7.687 -5.711 597 HZ PHE 76 HZ PHE 76 6.659 9.715 -5.522 598 H ILE 77 H ILE 77 2.847 4.506 -0.607 599 HA ILE 77 HA ILE 77 3.377 1.615 -0.702 600 HB ILE 77 HB ILE 77 2.382 3.135 1.715 601 1HG1 ILE 77 1HG1 ILE 77 4.943 1.602 1.216 602 2HG1 ILE 77 2HG1 ILE 77 4.794 3.346 1.384 603 1HG2 ILE 77 1HG2 ILE 77 2.399 0.955 2.852 604 2HG2 ILE 77 2HG2 ILE 77 2.805 0.169 1.324 605 3HG2 ILE 77 3HG2 ILE 77 1.254 0.987 1.512 606 1HD1 ILE 77 1HD1 ILE 77 4.134 3.094 3.696 607 2HD1 ILE 77 2HD1 ILE 77 5.670 2.279 3.402 608 3HD1 ILE 77 3HD1 ILE 77 4.183 1.339 3.540 609 H VAL 78 H VAL 78 1.708 0.383 -1.240 610 HA VAL 78 HA VAL 78 -0.876 1.714 -1.695 611 HB VAL 78 HB VAL 78 0.165 -0.871 -2.872 612 1HG1 VAL 78 1HG1 VAL 78 -2.330 0.709 -3.483 613 2HG1 VAL 78 2HG1 VAL 78 -2.252 -0.880 -2.721 614 3HG1 VAL 78 3HG1 VAL 78 -1.757 -0.682 -4.401 615 1HG2 VAL 78 1HG2 VAL 78 -0.108 1.863 -4.116 616 2HG2 VAL 78 2HG2 VAL 78 0.376 0.390 -4.959 617 3HG2 VAL 78 3HG2 VAL 78 1.403 1.059 -3.690 618 H TYR 79 H TYR 79 -2.285 1.392 -0.118 619 HA TYR 79 HA TYR 79 -2.095 -0.988 1.544 620 1HB TYR 79 1HB TYR 79 -3.746 1.533 1.772 621 2HB TYR 79 2HB TYR 79 -3.830 0.199 2.910 622 HD1 TYR 79 HD1 TYR 79 -1.430 2.637 1.443 623 HD2 TYR 79 HD2 TYR 79 -2.398 0.156 4.757 624 HE1 TYR 79 HE1 TYR 79 0.416 3.629 2.716 625 HE2 TYR 79 HE2 TYR 79 -0.549 1.144 6.041 626 HH TYR 79 HH TYR 79 1.531 2.325 5.688 627 H PHE 80 H PHE 80 -3.359 -2.689 1.260 628 HA PHE 80 HA PHE 80 -5.588 -2.501 -0.621 629 1HB PHE 80 1HB PHE 80 -3.989 -4.834 0.435 630 2HB PHE 80 2HB PHE 80 -5.432 -5.024 -0.550 631 HD1 PHE 80 HD1 PHE 80 -5.386 -4.657 -2.895 632 HD2 PHE 80 HD2 PHE 80 -1.964 -3.812 -0.518 633 HE1 PHE 80 HE1 PHE 80 -4.028 -4.452 -4.936 634 HE2 PHE 80 HE2 PHE 80 -0.598 -3.602 -2.553 635 HZ PHE 80 HZ PHE 80 -1.630 -3.922 -4.765 636 H THR 81 H THR 81 -7.549 -2.324 0.178 637 HA THR 81 HA THR 81 -8.115 -3.462 2.835 638 HB THR 81 HB THR 81 -10.023 -1.897 2.928 639 HG1 THR 81 HG1 THR 81 -10.640 -1.246 0.981 640 1HG2 THR 81 1HG2 THR 81 -8.743 0.187 3.171 641 2HG2 THR 81 2HG2 THR 81 -7.388 -0.562 2.327 642 3HG2 THR 81 3HG2 THR 81 -7.909 -1.188 3.891 643 HA PRO 82 HA PRO 82 -10.993 -6.267 0.837 644 1HB PRO 82 1HB PRO 82 -12.962 -6.326 2.755 645 2HB PRO 82 2HB PRO 82 -11.481 -7.284 2.840 646 1HG PRO 82 1HG PRO 82 -12.150 -4.700 4.189 647 2HG PRO 82 2HG PRO 82 -11.281 -6.107 4.829 648 1HD PRO 82 1HD PRO 82 -9.998 -3.879 4.012 649 2HD PRO 82 2HD PRO 82 -9.294 -5.499 3.816 650 H LYS 83 H LYS 83 -12.623 -5.931 -0.589 651 HA LYS 83 HA LYS 83 -13.381 -3.639 -1.634 652 1HB LYS 83 1HB LYS 83 -14.667 -6.237 -1.480 653 2HB LYS 83 2HB LYS 83 -15.839 -4.940 -1.672 654 1HG LYS 83 1HG LYS 83 -14.525 -4.144 -3.636 655 2HG LYS 83 2HG LYS 83 -13.522 -5.589 -3.474 656 1HD LYS 83 1HD LYS 83 -15.417 -7.011 -3.840 657 2HD LYS 83 2HD LYS 83 -16.518 -5.631 -3.816 658 1HE LYS 83 1HE LYS 83 -14.307 -5.988 -5.824 659 2HE LYS 83 2HE LYS 83 -15.965 -6.522 -6.094 660 1HZ LYS 83 1HZ LYS 83 -16.730 -4.291 -6.021 661 2HZ LYS 83 2HZ LYS 83 -15.390 -4.315 -7.055 662 3HZ LYS 83 3HZ LYS 83 -15.232 -3.709 -5.483 663 H ASN 84 H ASN 84 -13.705 -1.856 -0.486 664 HA ASN 84 HA ASN 84 -16.142 -1.734 1.136 665 1HB ASN 84 1HB ASN 84 -14.993 -0.103 2.630 666 2HB ASN 84 2HB ASN 84 -14.292 -1.713 2.696 667 1HD2 ASN 84 1HD2 ASN 84 -13.153 0.869 3.409 668 2HD2 ASN 84 2HD2 ASN 84 -11.718 1.045 2.464 669 H LYS 85 H LYS 85 -17.326 -0.889 -0.529 670 HA LYS 85 HA LYS 85 -16.439 1.376 -2.014 671 1HB LYS 85 1HB LYS 85 -18.755 1.481 -2.888 672 2HB LYS 85 2HB LYS 85 -18.020 -0.100 -3.071 673 1HG LYS 85 1HG LYS 85 -19.897 0.567 -0.822 674 2HG LYS 85 2HG LYS 85 -20.447 -0.041 -2.382 675 1HD LYS 85 1HD LYS 85 -19.009 -2.034 -2.060 676 2HD LYS 85 2HD LYS 85 -18.583 -1.429 -0.458 677 1HE LYS 85 1HE LYS 85 -21.007 -1.446 0.116 678 2HE LYS 85 2HE LYS 85 -21.322 -2.221 -1.436 679 1HZ LYS 85 1HZ LYS 85 -19.668 -3.305 0.777 680 2HZ LYS 85 2HZ LYS 85 -19.850 -4.045 -0.736 681 3HZ LYS 85 3HZ LYS 85 -21.193 -3.867 0.288 682 H ASN 86 H ASN 86 -15.964 3.093 -0.869 683 HA ASN 86 HA ASN 86 -17.246 3.933 1.484 684 1HB ASN 86 1HB ASN 86 -14.996 4.657 0.985 685 2HB ASN 86 2HB ASN 86 -15.534 5.457 -0.487 686 1HD2 ASN 86 1HD2 ASN 86 -15.554 5.567 3.010 687 2HD2 ASN 86 2HD2 ASN 86 -15.968 7.240 3.142 688 H ARG 87 H ARG 87 -18.822 5.414 1.881 689 HA ARG 87 HA ARG 87 -20.742 5.906 -0.174 690 1HB ARG 87 1HB ARG 87 -21.230 5.554 2.291 691 2HB ARG 87 2HB ARG 87 -20.609 7.173 2.569 692 1HG ARG 87 1HG ARG 87 -22.991 7.266 2.495 693 2HG ARG 87 2HG ARG 87 -22.358 8.050 1.047 694 1HD ARG 87 1HD ARG 87 -22.870 6.143 -0.295 695 2HD ARG 87 2HD ARG 87 -23.270 5.182 1.128 696 HE ARG 87 HE ARG 87 -25.002 7.276 1.257 697 1HH1 ARG 87 1HH1 ARG 87 -24.208 4.964 -1.267 698 2HH1 ARG 87 2HH1 ARG 87 -25.829 4.928 -1.910 699 1HH2 ARG 87 1HH2 ARG 87 -27.120 7.208 0.418 700 2HH2 ARG 87 2HH2 ARG 87 -27.471 6.211 -0.960 701 H GLU 88 H GLU 88 -19.207 6.993 -1.628 702 HA GLU 88 HA GLU 88 -18.011 9.445 -0.864 703 1HB GLU 88 1HB GLU 88 -17.489 9.681 -3.295 704 2HB GLU 88 2HB GLU 88 -16.921 8.194 -2.556 705 1HG GLU 88 1HG GLU 88 -18.778 6.977 -3.543 706 2HG GLU 88 2HG GLU 88 -19.388 8.472 -4.256 707 H GLY 89 H GLY 89 -18.360 11.364 -2.541 708 1HA GLY 89 1HA GLY 89 -20.014 12.965 -3.218 709 2HA GLY 89 2HA GLY 89 -21.214 12.053 -2.298 710 H VAL 90 H VAL 90 -19.863 11.610 0.021 711 HA VAL 90 HA VAL 90 -19.046 14.258 1.023 712 HB VAL 90 HB VAL 90 -20.237 12.042 2.704 713 1HG1 VAL 90 1HG1 VAL 90 -18.805 13.563 3.928 714 2HG1 VAL 90 2HG1 VAL 90 -20.489 13.824 4.383 715 3HG1 VAL 90 3HG1 VAL 90 -19.688 14.948 3.287 716 1HG2 VAL 90 1HG2 VAL 90 -21.619 14.495 1.623 717 2HG2 VAL 90 2HG2 VAL 90 -22.301 13.363 2.792 718 3HG2 VAL 90 3HG2 VAL 90 -21.939 12.826 1.152 719 H VAL 91 H VAL 91 -16.871 13.865 0.512 720 HA VAL 91 HA VAL 91 -15.675 11.334 1.207 721 HB VAL 91 HB VAL 91 -13.587 12.276 0.274 722 1HG1 VAL 91 1HG1 VAL 91 -15.144 11.095 -1.169 723 2HG1 VAL 91 2HG1 VAL 91 -14.372 12.417 -2.048 724 3HG1 VAL 91 3HG1 VAL 91 -16.029 12.591 -1.468 725 1HG2 VAL 91 1HG2 VAL 91 -13.920 14.622 0.867 726 2HG2 VAL 91 2HG2 VAL 91 -15.266 14.724 -0.270 727 3HG2 VAL 91 3HG2 VAL 91 -13.629 14.439 -0.865 728 HA PRO 92 HA PRO 92 -14.281 12.406 5.239 729 1HB PRO 92 1HB PRO 92 -12.250 10.597 5.451 730 2HB PRO 92 2HB PRO 92 -13.955 10.163 5.599 731 1HG PRO 92 1HG PRO 92 -12.130 9.898 3.240 732 2HG PRO 92 2HG PRO 92 -13.338 8.755 3.858 733 1HD PRO 92 1HD PRO 92 -13.813 10.350 1.730 734 2HD PRO 92 2HD PRO 92 -15.093 9.877 2.866 735 HA PRO 93 HA PRO 93 -10.923 15.185 4.140 736 1HB PRO 93 1HB PRO 93 -11.027 16.675 6.387 737 2HB PRO 93 2HB PRO 93 -12.214 16.843 5.088 738 1HG PRO 93 1HG PRO 93 -12.437 15.366 7.681 739 2HG PRO 93 2HG PRO 93 -13.633 16.396 6.873 740 1HD PRO 93 1HD PRO 93 -13.680 13.673 6.763 741 2HD PRO 93 2HD PRO 93 -14.320 14.711 5.473 742 H VAL 94 H VAL 94 -8.824 15.686 4.981 743 HA VAL 94 HA VAL 94 -7.749 13.543 6.654 744 HB VAL 94 HB VAL 94 -6.257 15.692 5.130 745 1HG1 VAL 94 1HG1 VAL 94 -4.318 14.218 5.414 746 2HG1 VAL 94 2HG1 VAL 94 -5.300 13.118 6.377 747 3HG1 VAL 94 3HG1 VAL 94 -4.968 14.748 6.965 748 1HG2 VAL 94 1HG2 VAL 94 -7.518 14.288 3.593 749 2HG2 VAL 94 2HG2 VAL 94 -6.848 12.839 4.341 750 3HG2 VAL 94 3HG2 VAL 94 -5.792 13.947 3.464 751 H GLY 95 H GLY 95 -7.540 17.093 6.400 752 1HA GLY 95 1HA GLY 95 -8.140 18.186 8.619 753 2HA GLY 95 2HA GLY 95 -6.866 17.164 9.271 754 H ILE 96 H ILE 96 -5.198 18.411 9.762 755 HA ILE 96 HA ILE 96 -4.390 20.489 7.828 756 HB ILE 96 HB ILE 96 -3.979 20.458 10.825 757 1HG1 ILE 96 1HG1 ILE 96 -5.685 22.257 9.086 758 2HG1 ILE 96 2HG1 ILE 96 -6.295 20.972 10.124 759 1HG2 ILE 96 1HG2 ILE 96 -3.030 22.697 10.534 760 2HG2 ILE 96 2HG2 ILE 96 -3.182 22.529 8.785 761 3HG2 ILE 96 3HG2 ILE 96 -2.087 21.475 9.680 762 1HD1 ILE 96 1HD1 ILE 96 -5.443 22.160 12.082 763 2HD1 ILE 96 2HD1 ILE 96 -6.582 23.143 11.159 764 3HD1 ILE 96 3HD1 ILE 96 -4.849 23.449 11.035 765 H THR 97 H THR 97 -3.207 18.144 10.214 766 HA THR 97 HA THR 97 -0.682 18.005 8.708 767 HB THR 97 HB THR 97 0.375 17.485 11.001 768 HG1 THR 97 HG1 THR 97 -0.839 18.746 12.683 769 1HG2 THR 97 1HG2 THR 97 0.851 19.525 9.740 770 2HG2 THR 97 2HG2 THR 97 0.751 19.862 11.470 771 3HG2 THR 97 3HG2 THR 97 -0.596 20.282 10.410 772 H ASN 98 H ASN 98 -0.255 16.027 7.991 773 HA ASN 98 HA ASN 98 -0.797 13.719 9.669 774 1HB ASN 98 1HB ASN 98 -2.849 14.032 8.230 775 2HB ASN 98 2HB ASN 98 -1.822 13.777 6.822 776 1HD2 ASN 98 1HD2 ASN 98 -0.781 11.727 6.594 777 2HD2 ASN 98 2HD2 ASN 98 -1.482 10.313 7.304
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