NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24363 | 2k25 | 15689 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -17.212 20.069 -5.079 2 HA2 GLY 1 2HA GLY 1 -15.994 19.166 -2.990 3 HA3 GLY 1 3HA GLY 1 -16.605 17.621 -3.562 4 H SER 2 H SER 2 -14.280 20.145 -4.044 5 HA SER 2 HA SER 2 -12.634 18.357 -5.607 6 HB3 SER 2 2HB SER 2 -13.828 20.862 -6.779 7 HG SER 2 HG SER 2 -12.236 20.582 -8.456 8 H LEU 3 H LEU 3 -10.525 18.691 -5.208 9 HA LEU 3 HA LEU 3 -9.705 21.265 -4.050 10 HB3 LEU 3 2HB LEU 3 -9.790 20.043 -2.108 11 HG LEU 3 HG LEU 3 -8.910 17.704 -1.844 12 HD11 LEU 3 1HD1 LEU 3 -11.156 17.426 -3.718 13 HD12 LEU 3 2HD1 LEU 3 -11.398 18.593 -2.419 14 HD13 LEU 3 3HD1 LEU 3 -11.005 16.918 -2.036 15 HD21 LEU 3 3HD2 LEU 3 -9.335 17.342 -4.774 16 HD22 LEU 3 1HD2 LEU 3 -8.408 16.361 -3.639 17 HD23 LEU 3 2HD2 LEU 3 -7.770 17.910 -4.191 18 H VAL 4 H VAL 4 -7.388 21.671 -4.186 19 HA VAL 4 HA VAL 4 -6.269 20.502 -6.629 20 HB VAL 4 HB VAL 4 -5.411 22.978 -5.123 21 HG11 VAL 4 1HG1 VAL 4 -4.028 23.466 -7.042 22 HG12 VAL 4 2HG1 VAL 4 -3.604 21.878 -6.401 23 HG13 VAL 4 3HG1 VAL 4 -4.591 22.008 -7.858 24 HG21 VAL 4 3HG2 VAL 4 -7.531 23.446 -6.037 25 HG22 VAL 4 1HG2 VAL 4 -6.370 24.113 -7.186 26 HG23 VAL 4 2HG2 VAL 4 -7.169 22.578 -7.529 27 HA PRO 5 HA PRO 5 -3.364 18.156 -4.258 28 HB3 PRO 5 2HB PRO 5 -3.272 16.747 -6.071 29 HG3 PRO 5 2HG PRO 5 -3.521 17.559 -8.236 30 HD3 PRO 5 2HD PRO 5 -5.357 18.528 -7.235 31 H ARG 6 H ARG 6 -0.944 18.057 -3.960 32 HA ARG 6 HA ARG 6 0.168 20.779 -4.114 33 HB3 ARG 6 2HB ARG 6 0.625 18.553 -2.131 34 HG3 ARG 6 2HG ARG 6 2.265 20.964 -2.671 35 HD3 ARG 6 2HD ARG 6 3.010 21.001 -0.325 36 HE ARG 6 HE ARG 6 0.232 21.597 0.050 37 HH11 ARG 6 1HH1 ARG 6 3.160 22.585 -1.555 38 HH12 ARG 6 2HH1 ARG 6 2.672 24.241 -1.706 39 HH21 ARG 6 1HH2 ARG 6 -0.421 23.774 -0.144 40 HH22 ARG 6 2HH2 ARG 6 0.636 24.916 -0.903 41 H GLY 7 H GLY 7 1.051 17.339 -4.316 42 HA2 GLY 7 2HA GLY 7 3.646 17.979 -5.436 43 HA3 GLY 7 3HA GLY 7 3.003 16.372 -5.140 44 H SER 8 H SER 8 0.605 17.915 -6.711 45 HA SER 8 HA SER 8 -0.215 17.872 -8.831 46 HB3 SER 8 2HB SER 8 2.424 17.669 -10.151 47 HG SER 8 HG SER 8 1.517 19.613 -11.133 48 H MET 9 H MET 9 0.468 15.396 -7.374 49 HA MET 9 HA MET 9 0.971 13.560 -9.611 50 HB3 MET 9 2HB MET 9 1.624 11.927 -8.037 51 HG3 MET 9 2HG MET 9 3.061 13.233 -6.319 52 HE1 MET 9 3HE MET 9 4.391 14.500 -10.463 53 HE2 MET 9 1HE MET 9 2.785 13.770 -10.452 54 HE3 MET 9 2HE MET 9 3.114 15.189 -9.458 55 H GLN 10 H GLN 10 -0.574 12.230 -10.357 56 HA GLN 10 HA GLN 10 -3.057 11.966 -8.806 57 HB3 GLN 10 2HB GLN 10 -4.385 12.221 -10.820 58 HG3 GLN 10 2HG GLN 10 -2.770 14.346 -9.789 59 HE21 GLN 10 1HE2 GLN 10 -1.038 14.559 -11.328 60 HE22 GLN 10 2HE2 GLN 10 -1.287 15.463 -12.779 61 H ILE 11 H ILE 11 -4.056 9.991 -8.889 62 HA ILE 11 HA ILE 11 -3.082 7.961 -10.734 63 HB ILE 11 HB ILE 11 -1.839 8.068 -8.341 64 HG13 ILE 11 2HG1 ILE 11 -0.893 6.578 -9.796 65 HG21 ILE 11 1HG2 ILE 11 -2.769 6.655 -6.734 66 HG22 ILE 11 2HG2 ILE 11 -4.140 7.610 -7.299 67 HG23 ILE 11 3HG2 ILE 11 -3.918 5.958 -7.876 68 HD11 ILE 11 3HD1 ILE 11 -1.247 5.376 -7.579 69 HD12 ILE 11 1HD1 ILE 11 -2.527 4.489 -8.407 70 HD13 ILE 11 2HD1 ILE 11 -0.865 4.392 -8.992 71 H PHE 12 H PHE 12 -4.294 5.815 -10.259 72 HA PHE 12 HA PHE 12 -7.116 6.508 -9.822 73 HB3 PHE 12 2HB PHE 12 -7.087 3.996 -10.973 74 HD1 PHE 12 1HD PHE 12 -9.138 5.884 -10.699 75 HD2 PHE 12 2HD PHE 12 -6.252 5.597 -13.813 76 HE1 PHE 12 1HE PHE 12 -10.677 7.045 -12.227 77 HE2 PHE 12 2HE PHE 12 -7.786 6.758 -15.347 78 HZ PHE 12 HZ PHE 12 -10.000 7.485 -14.555 79 H VAL 13 H VAL 13 -8.066 5.810 -8.034 80 HA VAL 13 HA VAL 13 -7.114 3.320 -6.793 81 HB VAL 13 HB VAL 13 -7.887 5.770 -5.209 82 HG11 VAL 13 1HG1 VAL 13 -7.895 4.421 -3.447 83 HG12 VAL 13 2HG1 VAL 13 -7.645 3.046 -4.524 84 HG13 VAL 13 3HG1 VAL 13 -6.259 3.878 -3.819 85 HG21 VAL 13 3HG2 VAL 13 -5.281 5.482 -4.665 86 HG22 VAL 13 1HG2 VAL 13 -5.289 4.917 -6.335 87 HG23 VAL 13 2HG2 VAL 13 -5.882 6.532 -5.946 88 H LYS 14 H LYS 14 -8.684 1.944 -6.226 89 HA LYS 14 HA LYS 14 -11.456 2.947 -6.206 90 HB3 LYS 14 2HB LYS 14 -12.157 0.757 -7.074 91 HG3 LYS 14 2HG LYS 14 -10.802 0.817 -9.300 92 HD3 LYS 14 2HD LYS 14 -12.601 2.995 -8.264 93 HE3 LYS 14 2HE LYS 14 -12.932 3.710 -10.563 94 HZ1 LYS 14 3HZ LYS 14 -10.639 4.194 -9.093 95 HZ2 LYS 14 1HZ LYS 14 -11.290 5.155 -10.325 96 HZ3 LYS 14 2HZ LYS 14 -10.122 3.988 -10.691 97 H THR 15 H THR 15 -12.525 2.676 -4.366 98 HA THR 15 HA THR 15 -11.315 1.196 -2.200 99 HB THR 15 HB THR 15 -13.004 2.127 -0.786 100 HG1 THR 15 1HG THR 15 -14.702 3.443 -1.879 101 HG21 THR 15 3HG2 THR 15 -11.419 3.748 -2.526 102 HG22 THR 15 1HG2 THR 15 -11.894 4.056 -0.857 103 HG23 THR 15 2HG2 THR 15 -12.933 4.584 -2.181 104 H LEU 16 H LEU 16 -13.214 0.091 -0.751 105 HA LEU 16 HA LEU 16 -13.924 -2.255 -2.241 106 HB3 LEU 16 2HB LEU 16 -14.564 -3.198 -0.191 107 HG LEU 16 HG LEU 16 -12.080 -1.972 -0.252 108 HD11 LEU 16 1HD1 LEU 16 -12.014 -1.527 2.366 109 HD12 LEU 16 2HD1 LEU 16 -13.673 -1.016 2.056 110 HD13 LEU 16 3HD1 LEU 16 -12.338 -0.246 1.198 111 HD21 LEU 16 3HD2 LEU 16 -13.421 -4.099 1.311 112 HD22 LEU 16 1HD2 LEU 16 -11.868 -3.518 1.911 113 HD23 LEU 16 2HD2 LEU 16 -11.992 -4.175 0.280 114 H THR 17 H THR 17 -15.594 0.568 -1.020 115 HA THR 17 HA THR 17 -18.217 -0.490 -1.616 116 HB THR 17 HB THR 17 -17.801 1.120 0.262 117 HG1 THR 17 1HG THR 17 -19.652 1.978 -1.734 118 HG21 THR 17 3HG2 THR 17 -17.518 3.459 -0.196 119 HG22 THR 17 1HG2 THR 17 -17.624 3.183 -1.934 120 HG23 THR 17 2HG2 THR 17 -16.235 2.582 -1.028 121 H GLY 18 H GLY 18 -15.859 1.621 -3.124 122 HA2 GLY 18 2HA GLY 18 -16.131 1.443 -5.661 123 HA3 GLY 18 3HA GLY 18 -17.734 2.091 -5.351 124 H LYS 19 H LYS 19 -16.123 3.608 -3.081 125 HA LYS 19 HA LYS 19 -16.066 6.093 -4.386 126 HB3 LYS 19 2HB LYS 19 -14.284 6.042 -2.116 127 HG3 LYS 19 2HG LYS 19 -15.634 7.984 -2.769 128 HD3 LYS 19 2HD LYS 19 -17.723 6.147 -2.906 129 HE3 LYS 19 2HE LYS 19 -18.046 8.023 -0.570 130 HZ1 LYS 19 3HZ LYS 19 -20.292 7.793 -0.659 131 HZ2 LYS 19 1HZ LYS 19 -20.240 6.323 -1.495 132 HZ3 LYS 19 2HZ LYS 19 -19.971 7.776 -2.320 133 H THR 20 H THR 20 -14.343 7.407 -5.048 134 HA THR 20 HA THR 20 -11.830 5.966 -5.596 135 HB THR 20 HB THR 20 -12.884 8.193 -7.329 136 HG1 THR 20 1HG THR 20 -14.292 6.213 -7.153 137 HG21 THR 20 3HG2 THR 20 -10.429 7.111 -7.252 138 HG22 THR 20 1HG2 THR 20 -11.170 7.704 -8.738 139 HG23 THR 20 2HG2 THR 20 -11.208 5.981 -8.360 140 H ILE 21 H ILE 21 -9.946 6.957 -5.097 141 HA ILE 21 HA ILE 21 -10.042 9.769 -4.240 142 HB ILE 21 HB ILE 21 -8.348 9.116 -2.445 143 HG13 ILE 21 2HG1 ILE 21 -8.097 6.906 -1.791 144 HG21 ILE 21 1HG2 ILE 21 -10.476 9.835 -1.747 145 HG22 ILE 21 2HG2 ILE 21 -11.252 8.359 -2.318 146 HG23 ILE 21 3HG2 ILE 21 -10.201 8.311 -0.902 147 HD11 ILE 21 3HD1 ILE 21 -10.055 5.852 -1.449 148 HD12 ILE 21 1HD1 ILE 21 -10.795 6.513 -2.906 149 HD13 ILE 21 2HD1 ILE 21 -9.686 5.146 -3.021 150 H THR 22 H THR 22 -8.357 10.999 -4.874 151 HA THR 22 HA THR 22 -6.515 9.891 -6.785 152 HB THR 22 HB THR 22 -6.128 12.659 -5.764 153 HG1 THR 22 1HG THR 22 -7.997 13.395 -6.602 154 HG21 THR 22 3HG2 THR 22 -4.799 11.812 -7.629 155 HG22 THR 22 1HG2 THR 22 -5.853 13.120 -8.162 156 HG23 THR 22 2HG2 THR 22 -6.270 11.446 -8.528 157 H LEU 23 H LEU 23 -4.471 9.271 -6.466 158 HA LEU 23 HA LEU 23 -3.166 10.008 -3.931 159 HB3 LEU 23 2HB LEU 23 -2.037 7.602 -4.584 160 HG LEU 23 HG LEU 23 -3.147 8.427 -2.344 161 HD11 LEU 23 1HD1 LEU 23 -5.359 8.239 -2.302 162 HD12 LEU 23 2HD1 LEU 23 -5.139 6.489 -2.325 163 HD13 LEU 23 3HD1 LEU 23 -5.380 7.368 -3.835 164 HD21 LEU 23 3HD2 LEU 23 -1.803 6.220 -3.098 165 HD22 LEU 23 1HD2 LEU 23 -3.336 5.496 -2.608 166 HD23 LEU 23 2HD2 LEU 23 -2.419 6.480 -1.465 167 H GLU 24 H GLU 24 -0.810 9.936 -3.988 168 HA GLU 24 HA GLU 24 0.180 10.923 -6.542 169 HB3 GLU 24 2HB GLU 24 0.683 12.211 -4.529 170 HG3 GLU 24 2HG GLU 24 2.058 9.705 -3.614 171 H VAL 25 H VAL 25 2.081 10.127 -7.543 172 HA VAL 25 HA VAL 25 2.977 7.464 -6.696 173 HB VAL 25 HB VAL 25 3.035 6.888 -9.215 174 HG11 VAL 25 1HG1 VAL 25 0.894 5.846 -9.080 175 HG12 VAL 25 2HG1 VAL 25 1.579 5.861 -7.454 176 HG13 VAL 25 3HG1 VAL 25 0.331 7.026 -7.896 177 HG21 VAL 25 3HG2 VAL 25 0.910 9.030 -9.218 178 HG22 VAL 25 1HG2 VAL 25 2.473 9.123 -10.029 179 HG23 VAL 25 2HG2 VAL 25 1.278 7.936 -10.551 180 H GLU 26 H GLU 26 5.095 6.960 -7.214 181 HA GLU 26 HA GLU 26 6.735 8.320 -9.015 182 HB3 GLU 26 2HB GLU 26 7.998 9.301 -6.714 183 HG3 GLU 26 2HG GLU 26 6.343 11.221 -8.200 184 HA PRO 27 HA PRO 27 9.400 4.986 -8.002 185 HB3 PRO 27 2HB PRO 27 10.626 5.546 -9.863 186 HG3 PRO 27 2HG PRO 27 10.963 7.770 -10.453 187 HD3 PRO 27 2HD PRO 27 8.677 7.779 -10.157 188 H SER 28 H SER 28 10.115 8.128 -6.612 189 HA SER 28 HA SER 28 11.629 6.826 -4.451 190 HB3 SER 28 2HB SER 28 11.682 9.718 -4.358 191 HG SER 28 HG SER 28 13.966 9.232 -4.580 192 H ASP 29 H ASP 29 8.578 7.556 -5.061 193 HA ASP 29 HA ASP 29 8.014 8.668 -2.396 194 HB3 ASP 29 2HB ASP 29 5.746 9.165 -3.331 195 H THR 30 H THR 30 7.618 7.140 -0.942 196 HA THR 30 HA THR 30 6.345 4.639 -1.777 197 HB THR 30 HB THR 30 8.441 4.580 -0.395 198 HG1 THR 30 1HG THR 30 6.812 2.867 -0.422 199 HG21 THR 30 3HG2 THR 30 7.146 4.969 2.145 200 HG22 THR 30 1HG2 THR 30 7.047 6.439 1.177 201 HG23 THR 30 2HG2 THR 30 8.617 5.710 1.518 202 H ILE 31 H ILE 31 4.840 3.681 -0.029 203 HA ILE 31 HA ILE 31 2.497 5.143 0.074 204 HB ILE 31 HB ILE 31 3.455 2.842 1.757 205 HG13 ILE 31 2HG1 ILE 31 1.612 3.205 -0.589 206 HG21 ILE 31 1HG2 ILE 31 1.011 2.661 2.447 207 HG22 ILE 31 2HG2 ILE 31 1.976 3.908 3.234 208 HG23 ILE 31 3HG2 ILE 31 0.861 4.343 1.939 209 HD11 ILE 31 3HD1 ILE 31 3.955 1.438 0.007 210 HD12 ILE 31 1HD1 ILE 31 2.816 1.077 -1.290 211 HD13 ILE 31 2HD1 ILE 31 3.739 2.580 -1.319 212 H GLU 32 H GLU 32 5.217 5.176 2.251 213 HA GLU 32 HA GLU 32 4.122 6.232 4.554 214 HB3 GLU 32 2HB GLU 32 6.770 7.056 3.355 215 HG3 GLU 32 2HG GLU 32 6.051 6.701 6.251 216 H ASN 33 H ASN 33 5.450 8.066 1.798 217 HA ASN 33 HA ASN 33 4.444 10.557 2.828 218 HB3 ASN 33 2HB ASN 33 5.494 10.056 0.043 219 HD21 ASN 33 1HD2 ASN 33 7.480 12.143 0.759 220 HD22 ASN 33 2HD2 ASN 33 6.621 13.638 0.640 221 H VAL 34 H VAL 34 3.542 8.280 0.289 222 HA VAL 34 HA VAL 34 1.601 9.739 -1.039 223 HB VAL 34 HB VAL 34 1.502 6.784 -0.414 224 HG11 VAL 34 1HG1 VAL 34 0.061 8.507 -2.408 225 HG12 VAL 34 2HG1 VAL 34 0.258 6.769 -2.644 226 HG13 VAL 34 3HG1 VAL 34 -0.614 7.376 -1.236 227 HG21 VAL 34 3HG2 VAL 34 3.230 6.517 -1.785 228 HG22 VAL 34 1HG2 VAL 34 2.369 7.369 -3.065 229 HG23 VAL 34 2HG2 VAL 34 3.374 8.268 -1.930 230 H LYS 35 H LYS 35 1.432 8.106 2.055 231 HA LYS 35 HA LYS 35 -1.300 7.971 2.460 232 HB3 LYS 35 2HB LYS 35 0.647 7.183 3.964 233 HG3 LYS 35 2HG LYS 35 1.273 9.743 4.304 234 HD3 LYS 35 2HD LYS 35 -0.968 9.198 6.164 235 HE3 LYS 35 2HE LYS 35 1.291 10.989 7.016 236 HZ1 LYS 35 3HZ LYS 35 -0.397 11.605 8.342 237 HZ2 LYS 35 1HZ LYS 35 -0.002 10.206 9.208 238 HZ3 LYS 35 2HZ LYS 35 -1.276 10.181 8.097 239 H ALA 36 H ALA 36 0.798 10.743 2.471 240 HA ALA 36 HA ALA 36 -0.968 12.518 3.830 241 HB1 ALA 36 1HB ALA 36 1.389 13.002 3.748 242 HB2 ALA 36 2HB ALA 36 1.351 13.072 1.986 243 HB3 ALA 36 3HB ALA 36 0.504 14.293 2.935 244 H LYS 37 H LYS 37 -0.563 11.519 0.505 245 HA LYS 37 HA LYS 37 -2.177 13.607 -0.611 246 HB3 LYS 37 2HB LYS 37 -2.107 11.306 -2.308 247 HG3 LYS 37 2HG LYS 37 -1.925 13.853 -2.812 248 HD3 LYS 37 2HD LYS 37 0.643 14.099 -3.487 249 HE3 LYS 37 2HE LYS 37 -1.046 15.248 -1.613 250 HZ1 LYS 37 3HZ LYS 37 0.314 15.603 0.312 251 HZ2 LYS 37 1HZ LYS 37 1.555 14.640 -0.316 252 HZ3 LYS 37 2HZ LYS 37 0.079 13.938 0.121 253 H ILE 38 H ILE 38 -2.701 10.147 0.038 254 HA ILE 38 HA ILE 38 -5.407 10.127 -0.784 255 HB ILE 38 HB ILE 38 -3.961 8.095 -0.542 256 HG13 ILE 38 2HG1 ILE 38 -5.791 6.736 -0.290 257 HG21 ILE 38 1HG2 ILE 38 -4.513 8.525 2.390 258 HG22 ILE 38 2HG2 ILE 38 -3.830 7.056 1.696 259 HG23 ILE 38 3HG2 ILE 38 -2.941 8.575 1.593 260 HD11 ILE 38 3HD1 ILE 38 -6.183 6.639 1.989 261 HD12 ILE 38 1HD1 ILE 38 -6.476 8.374 2.113 262 HD13 ILE 38 2HD1 ILE 38 -7.675 7.330 1.349 263 H GLN 39 H GLN 39 -3.828 10.860 2.249 264 HA GLN 39 HA GLN 39 -6.047 10.682 3.957 265 HB3 GLN 39 2HB GLN 39 -3.622 12.477 4.139 266 HG3 GLN 39 2HG GLN 39 -5.662 13.002 5.643 267 HE21 GLN 39 1HE2 GLN 39 -6.258 12.643 7.926 268 HE22 GLN 39 2HE2 GLN 39 -6.402 11.013 8.483 269 H ASP 40 H ASP 40 -5.023 13.152 1.720 270 HA ASP 40 HA ASP 40 -6.756 15.194 2.747 271 HB3 ASP 40 2HB ASP 40 -5.153 14.907 0.211 272 H LYS 41 H LYS 41 -7.067 12.558 0.532 273 HA LYS 41 HA LYS 41 -9.403 13.566 -0.803 274 HB3 LYS 41 2HB LYS 41 -9.447 11.508 -1.969 275 HG3 LYS 41 2HG LYS 41 -7.165 11.052 -2.666 276 HD3 LYS 41 2HD LYS 41 -8.364 13.661 -2.576 277 HE3 LYS 41 2HE LYS 41 -6.101 14.055 -1.390 278 HZ1 LYS 41 3HZ LYS 41 -4.359 13.280 -2.513 279 HZ2 LYS 41 1HZ LYS 41 -4.587 14.573 -3.581 280 HZ3 LYS 41 2HZ LYS 41 -5.244 13.056 -3.937 281 H GLU 42 H GLU 42 -8.837 10.929 1.532 282 HA GLU 42 HA GLU 42 -11.619 11.276 2.436 283 HB3 GLU 42 2HB GLU 42 -11.354 8.744 3.055 284 HG3 GLU 42 2HG GLU 42 -11.793 9.704 0.241 285 H GLY 43 H GLY 43 -8.301 10.474 3.277 286 HA2 GLY 43 2HA GLY 43 -7.283 11.228 5.286 287 HA3 GLY 43 3HA GLY 43 -8.872 11.300 6.033 288 H ILE 44 H ILE 44 -7.912 8.517 4.183 289 HA ILE 44 HA ILE 44 -8.366 6.776 6.394 290 HB ILE 44 HB ILE 44 -7.166 6.201 3.682 291 HG13 ILE 44 2HG1 ILE 44 -9.400 5.300 3.162 292 HG21 ILE 44 1HG2 ILE 44 -8.228 4.267 5.738 293 HG22 ILE 44 2HG2 ILE 44 -7.581 3.862 4.149 294 HG23 ILE 44 3HG2 ILE 44 -6.522 4.541 5.384 295 HD11 ILE 44 3HD1 ILE 44 -10.246 6.455 5.808 296 HD12 ILE 44 1HD1 ILE 44 -11.311 5.789 4.570 297 HD13 ILE 44 2HD1 ILE 44 -10.169 4.739 5.410 298 HA PRO 45 HA PRO 45 -4.312 6.881 8.164 299 HB3 PRO 45 2HB PRO 45 -5.336 6.278 10.132 300 HG3 PRO 45 2HG PRO 45 -7.221 4.917 10.135 301 HD3 PRO 45 2HD PRO 45 -7.869 6.488 8.578 302 HA PRO 46 HA PRO 46 -2.251 4.017 5.424 303 HB3 PRO 46 2HB PRO 46 -0.771 5.724 5.002 304 HG3 PRO 46 2HG PRO 46 -0.298 7.328 6.617 305 HD3 PRO 46 2HD PRO 46 -2.602 7.378 6.673 306 H ASP 47 H ASP 47 -1.819 4.303 8.868 307 HA ASP 47 HA ASP 47 -0.013 2.214 9.319 308 HB3 ASP 47 2HB ASP 47 -1.299 2.091 11.589 309 H GLN 48 H GLN 48 -3.508 2.207 8.884 310 HA GLN 48 HA GLN 48 -3.502 -0.726 9.098 311 HB3 GLN 48 2HB GLN 48 -6.066 0.749 8.914 312 HG3 GLN 48 2HG GLN 48 -5.748 -1.756 9.357 313 HE21 GLN 48 1HE2 GLN 48 -6.141 -0.130 12.457 314 HE22 GLN 48 2HE2 GLN 48 -4.995 -1.096 13.316 315 H GLN 49 H GLN 49 -3.788 1.878 6.910 316 HA GLN 49 HA GLN 49 -5.471 0.968 4.937 317 HB3 GLN 49 2HB GLN 49 -2.816 2.357 4.532 318 HG3 GLN 49 2HG GLN 49 -5.270 2.493 2.801 319 HE21 GLN 49 1HE2 GLN 49 -5.277 4.239 1.597 320 HE22 GLN 49 2HE2 GLN 49 -3.901 5.187 1.160 321 H ARG 50 H ARG 50 -5.359 -0.452 3.253 322 HA ARG 50 HA ARG 50 -3.099 -2.333 3.314 323 HB3 ARG 50 2HB ARG 50 -4.548 -4.023 2.552 324 HG3 ARG 50 2HG ARG 50 -6.551 -3.965 3.971 325 HD3 ARG 50 2HD ARG 50 -5.392 -3.595 6.145 326 HE ARG 50 HE ARG 50 -4.402 -5.387 4.130 327 HH11 ARG 50 1HH1 ARG 50 -4.049 -4.304 7.420 328 HH12 ARG 50 2HH1 ARG 50 -3.320 -5.779 7.964 329 HH21 ARG 50 1HH2 ARG 50 -3.441 -7.333 4.834 330 HH22 ARG 50 2HH2 ARG 50 -2.974 -7.499 6.493 331 H LEU 51 H LEU 51 -1.906 -2.731 1.522 332 HA LEU 51 HA LEU 51 -2.422 -1.021 -0.802 333 HB3 LEU 51 2HB LEU 51 0.075 -2.602 -0.260 334 HG LEU 51 HG LEU 51 -0.275 -1.407 -2.516 335 HD11 LEU 51 1HD1 LEU 51 -1.100 0.685 -2.032 336 HD12 LEU 51 2HD1 LEU 51 0.619 1.024 -2.231 337 HD13 LEU 51 3HD1 LEU 51 -0.071 0.883 -0.614 338 HD21 LEU 51 3HD2 LEU 51 1.859 -2.277 -1.904 339 HD22 LEU 51 1HD2 LEU 51 2.133 -0.960 -0.763 340 HD23 LEU 51 2HD2 LEU 51 2.106 -0.632 -2.495 341 H ILE 52 H ILE 52 -3.366 -1.901 -2.508 342 HA ILE 52 HA ILE 52 -2.968 -4.778 -3.013 343 HB ILE 52 HB ILE 52 -5.357 -3.039 -3.618 344 HG13 ILE 52 2HG1 ILE 52 -4.792 -5.320 -1.748 345 HG21 ILE 52 1HG2 ILE 52 -6.243 -5.385 -4.405 346 HG22 ILE 52 2HG2 ILE 52 -5.352 -4.334 -5.506 347 HG23 ILE 52 3HG2 ILE 52 -4.532 -5.681 -4.715 348 HD11 ILE 52 3HD1 ILE 52 -5.255 -2.575 -1.397 349 HD12 ILE 52 1HD1 ILE 52 -6.697 -3.410 -0.817 350 HD13 ILE 52 2HD1 ILE 52 -5.113 -3.823 -0.159 351 H PHE 53 H PHE 53 -1.723 -5.176 -4.707 352 HA PHE 53 HA PHE 53 -1.861 -3.353 -7.017 353 HB3 PHE 53 2HB PHE 53 0.565 -4.641 -5.765 354 HD1 PHE 53 2HD PHE 53 -0.611 -2.818 -8.787 355 HD2 PHE 53 1HD PHE 53 2.485 -5.101 -6.965 356 HE1 PHE 53 2HE PHE 53 0.593 -2.891 -10.932 357 HE2 PHE 53 1HE PHE 53 3.694 -5.177 -9.106 358 HZ PHE 53 HZ PHE 53 2.748 -4.072 -11.094 359 H ALA 54 H ALA 54 -2.411 -4.300 -8.864 360 HA ALA 54 HA ALA 54 -2.958 -5.897 -10.391 361 HB1 ALA 54 1HB ALA 54 -0.513 -7.208 -9.213 362 HB2 ALA 54 2HB ALA 54 -1.320 -7.735 -10.691 363 HB3 ALA 54 3HB ALA 54 -0.576 -6.137 -10.613 364 H GLY 55 H GLY 55 -4.176 -6.035 -7.733 365 HA2 GLY 55 2HA GLY 55 -5.880 -7.431 -6.951 366 HA3 GLY 55 3HA GLY 55 -5.259 -8.719 -7.974 367 H LYS 56 H LYS 56 -2.536 -7.846 -6.650 368 HA LYS 56 HA LYS 56 -2.807 -9.741 -4.431 369 HB3 LYS 56 2HB LYS 56 -0.308 -8.655 -5.746 370 HG3 LYS 56 2HG LYS 56 -0.286 -9.703 -3.326 371 HD3 LYS 56 2HD LYS 56 -0.616 -12.029 -5.180 372 HE3 LYS 56 2HE LYS 56 0.310 -13.399 -3.224 373 HZ1 LYS 56 3HZ LYS 56 1.465 -12.613 -5.493 374 HZ2 LYS 56 1HZ LYS 56 2.208 -13.640 -4.373 375 HZ3 LYS 56 2HZ LYS 56 2.567 -11.988 -4.372 376 H GLN 57 H GLN 57 -2.825 -9.058 -2.397 377 HA GLN 57 HA GLN 57 -2.352 -6.264 -1.812 378 HB3 GLN 57 2HB GLN 57 -4.226 -7.775 -0.855 379 HG3 GLN 57 2HG GLN 57 -3.753 -8.799 1.277 380 HE21 GLN 57 1HE2 GLN 57 -4.578 -10.021 -0.755 381 HE22 GLN 57 2HE2 GLN 57 -3.589 -11.345 -1.257 382 H LEU 58 H LEU 58 -0.955 -5.551 -0.079 383 HA LEU 58 HA LEU 58 1.243 -7.373 0.584 384 HB3 LEU 58 2HB LEU 58 2.914 -5.738 0.030 385 HG LEU 58 HG LEU 58 1.763 -7.104 -1.926 386 HD11 LEU 58 1HD1 LEU 58 1.482 -4.451 -3.183 387 HD12 LEU 58 2HD1 LEU 58 0.196 -4.932 -2.076 388 HD13 LEU 58 3HD1 LEU 58 0.588 -5.946 -3.465 389 HD21 LEU 58 3HD2 LEU 58 3.945 -5.153 -1.798 390 HD22 LEU 58 1HD2 LEU 58 3.356 -5.488 -3.426 391 HD23 LEU 58 2HD2 LEU 58 3.932 -6.809 -2.408 392 H GLU 59 H GLU 59 2.866 -5.684 1.964 393 HA GLU 59 HA GLU 59 1.258 -4.197 3.877 394 HB3 GLU 59 2HB GLU 59 2.112 -5.421 5.809 395 HG3 GLU 59 2HG GLU 59 0.907 -7.346 3.834 396 H ASP 60 H ASP 60 4.466 -5.407 2.992 397 HA ASP 60 HA ASP 60 6.066 -3.737 4.490 398 HB3 ASP 60 2HB ASP 60 7.014 -4.088 1.734 399 H GLY 61 H GLY 61 7.063 -1.726 4.119 400 HA2 GLY 61 2HA GLY 61 5.638 -0.018 2.171 401 HA3 GLY 61 3HA GLY 61 6.098 0.538 3.773 402 H ARG 62 H ARG 62 7.247 -0.290 0.577 403 HA ARG 62 HA ARG 62 9.717 1.198 1.157 404 HB3 ARG 62 2HB ARG 62 10.636 -0.442 -0.729 405 HG3 ARG 62 2HG ARG 62 10.375 -1.319 2.140 406 HD3 ARG 62 2HD ARG 62 12.252 -2.089 -0.084 407 HE ARG 62 HE ARG 62 12.769 -3.264 2.474 408 HH11 ARG 62 1HH1 ARG 62 13.477 -0.552 0.410 409 HH12 ARG 62 2HH1 ARG 62 15.010 -0.222 1.149 410 HH21 ARG 62 1HH2 ARG 62 14.784 -2.840 3.455 411 HH22 ARG 62 2HH2 ARG 62 15.752 -1.525 2.880 412 H THR 63 H THR 63 10.822 1.884 -0.940 413 HA THR 63 HA THR 63 8.902 3.339 -2.501 414 HB THR 63 HB THR 63 10.821 4.319 -3.641 415 HG1 THR 63 1HG THR 63 12.955 3.583 -2.888 416 HG21 THR 63 3HG2 THR 63 11.429 4.082 -0.696 417 HG22 THR 63 1HG2 THR 63 10.161 5.111 -1.360 418 HG23 THR 63 2HG2 THR 63 11.850 5.415 -1.771 419 H LEU 64 H LEU 64 8.844 3.324 -4.853 420 HA LEU 64 HA LEU 64 8.512 0.713 -5.894 421 HB3 LEU 64 2HB LEU 64 7.743 1.723 -7.836 422 HG LEU 64 HG LEU 64 7.373 4.048 -5.956 423 HD11 LEU 64 1HD1 LEU 64 5.620 2.971 -8.157 424 HD12 LEU 64 2HD1 LEU 64 6.707 4.350 -8.320 425 HD13 LEU 64 3HD1 LEU 64 5.350 4.425 -7.197 426 HD21 LEU 64 3HD2 LEU 64 5.931 1.408 -6.081 427 HD22 LEU 64 1HD2 LEU 64 5.256 2.849 -5.321 428 HD23 LEU 64 2HD2 LEU 64 6.743 2.138 -4.695 429 H SER 65 H SER 65 11.145 2.988 -5.935 430 HA SER 65 HA SER 65 12.596 1.754 -8.066 431 HB3 SER 65 2HB SER 65 13.625 3.572 -5.874 432 HG SER 65 HG SER 65 14.639 3.305 -8.493 433 H GLU 66 H GLU 66 12.744 1.591 -4.531 434 HA GLU 66 HA GLU 66 14.946 -0.239 -4.505 435 HB3 GLU 66 2HB GLU 66 14.339 -0.480 -2.072 436 HG3 GLU 66 2HG GLU 66 14.708 1.943 -1.471 437 H TYR 67 H TYR 67 11.439 -0.517 -4.158 438 HA TYR 67 HA TYR 67 11.583 -3.387 -3.802 439 HB3 TYR 67 2HB TYR 67 8.938 -2.318 -4.389 440 HD1 TYR 67 2HD TYR 67 11.179 -3.375 -1.587 441 HD2 TYR 67 1HD TYR 67 7.402 -3.791 -3.501 442 HE1 TYR 67 2HE TYR 67 10.574 -5.148 0.006 443 HE2 TYR 67 1HE TYR 67 6.786 -5.564 -1.913 444 HH TYR 67 HH TYR 67 7.940 -6.059 0.829 445 H ASN 68 H ASN 68 11.709 -1.314 -6.402 446 HA ASN 68 HA ASN 68 11.358 -1.508 -8.649 447 HB3 ASN 68 2HB ASN 68 11.830 -3.895 -9.508 448 HD21 ASN 68 1HD2 ASN 68 13.503 -3.244 -10.645 449 HD22 ASN 68 2HD2 ASN 68 14.972 -2.591 -10.012 450 H ILE 69 H ILE 69 8.971 -1.406 -7.294 451 HA ILE 69 HA ILE 69 7.293 -3.427 -8.621 452 HB ILE 69 HB ILE 69 5.503 -2.642 -7.032 453 HG13 ILE 69 2HG1 ILE 69 6.496 -0.463 -6.477 454 HG21 ILE 69 1HG2 ILE 69 6.312 -3.966 -5.186 455 HG22 ILE 69 2HG2 ILE 69 6.836 -4.698 -6.702 456 HG23 ILE 69 3HG2 ILE 69 7.978 -3.770 -5.731 457 HD11 ILE 69 3HD1 ILE 69 5.753 -0.358 -4.357 458 HD12 ILE 69 1HD1 ILE 69 5.164 -1.979 -4.722 459 HD13 ILE 69 2HD1 ILE 69 6.680 -1.768 -3.844 460 H GLN 70 H GLN 70 5.212 -2.690 -9.476 461 HA GLN 70 HA GLN 70 5.499 -0.068 -10.757 462 HB3 GLN 70 2HB GLN 70 3.564 -1.040 -12.200 463 HG3 GLN 70 2HG GLN 70 5.970 -0.785 -12.916 464 HE21 GLN 70 1HE2 GLN 70 7.881 -1.861 -13.524 465 HE22 GLN 70 2HE2 GLN 70 8.414 -3.280 -12.695 466 H LYS 71 H LYS 71 4.697 1.312 -9.205 467 HA LYS 71 HA LYS 71 1.870 0.923 -8.466 468 HB3 LYS 71 2HB LYS 71 4.009 2.447 -6.965 469 HG3 LYS 71 2HG LYS 71 1.920 1.855 -5.243 470 HD3 LYS 71 2HD LYS 71 1.559 4.503 -5.986 471 HE3 LYS 71 2HE LYS 71 2.999 3.003 -3.910 472 HZ1 LYS 71 3HZ LYS 71 3.904 5.186 -3.042 473 HZ2 LYS 71 1HZ LYS 71 3.757 5.772 -4.622 474 HZ3 LYS 71 2HZ LYS 71 4.770 4.457 -4.299 475 H GLU 72 H GLU 72 3.839 2.638 -10.456 476 HA GLU 72 HA GLU 72 2.474 5.195 -10.182 477 HB3 GLU 72 2HB GLU 72 4.914 5.111 -10.623 478 HG3 GLU 72 2HG GLU 72 4.136 4.138 -13.363 479 H SER 73 H SER 73 1.170 2.636 -11.121 480 HA SER 73 HA SER 73 0.130 3.682 -13.673 481 HB3 SER 73 2HB SER 73 1.272 1.691 -14.253 482 HG SER 73 HG SER 73 1.439 0.007 -12.967 483 H THR 74 H THR 74 -1.011 0.968 -11.728 484 HA THR 74 HA THR 74 -3.393 2.508 -10.976 485 HB THR 74 HB THR 74 -3.812 -0.321 -11.803 486 HG1 THR 74 1HG THR 74 -3.734 0.124 -13.917 487 HG21 THR 74 3HG2 THR 74 -5.742 1.559 -12.757 488 HG22 THR 74 1HG2 THR 74 -5.400 1.898 -11.062 489 HG23 THR 74 2HG2 THR 74 -5.939 0.290 -11.548 490 H LEU 75 H LEU 75 -3.313 2.507 -8.821 491 HA LEU 75 HA LEU 75 -3.012 -0.076 -7.455 492 HB3 LEU 75 2HB LEU 75 -1.987 2.051 -5.828 493 HG LEU 75 HG LEU 75 0.153 0.742 -5.905 494 HD11 LEU 75 1HD1 LEU 75 -2.466 -0.193 -4.941 495 HD12 LEU 75 2HD1 LEU 75 -0.961 0.083 -4.064 496 HD13 LEU 75 3HD1 LEU 75 -1.187 -1.406 -4.983 497 HD21 LEU 75 3HD2 LEU 75 -1.390 -1.398 -7.314 498 HD22 LEU 75 1HD2 LEU 75 0.352 -1.234 -7.090 499 HD23 LEU 75 2HD2 LEU 75 -0.491 -0.192 -8.237 500 H HIS 76 H HIS 76 -4.487 -0.455 -5.912 501 HA HIS 76 HA HIS 76 -6.182 1.799 -5.054 502 HB3 HIS 76 2HB HIS 76 -8.105 0.444 -5.138 503 HD1 HIS 76 1HD HIS 76 -8.346 -1.830 -7.350 504 HD2 HIS 76 2HD HIS 76 -6.358 1.796 -7.750 505 HE1 HIS 76 1HE HIS 76 -8.267 -1.376 -9.822 506 H LEU 77 H LEU 77 -5.576 2.270 -3.036 507 HA LEU 77 HA LEU 77 -5.438 0.061 -1.097 508 HB3 LEU 77 2HB LEU 77 -3.187 0.667 -1.401 509 HG LEU 77 HG LEU 77 -4.112 3.498 -1.478 510 HD11 LEU 77 1HD1 LEU 77 -1.300 3.471 -1.119 511 HD12 LEU 77 2HD1 LEU 77 -2.031 2.623 0.242 512 HD13 LEU 77 3HD1 LEU 77 -2.528 4.273 -0.139 513 HD21 LEU 77 3HD2 LEU 77 -3.060 3.537 -3.465 514 HD22 LEU 77 1HD2 LEU 77 -3.200 1.782 -3.360 515 HD23 LEU 77 2HD2 LEU 77 -1.699 2.576 -2.884 516 H VAL 78 H VAL 78 -7.404 0.365 -0.163 517 HA VAL 78 HA VAL 78 -7.713 2.775 1.446 518 HB VAL 78 HB VAL 78 -10.150 1.888 -0.025 519 HG11 VAL 78 1HG1 VAL 78 -9.205 4.223 1.497 520 HG12 VAL 78 2HG1 VAL 78 -10.206 4.586 0.090 521 HG13 VAL 78 3HG1 VAL 78 -10.821 3.532 1.364 522 HG21 VAL 78 3HG2 VAL 78 -8.666 2.110 -1.867 523 HG22 VAL 78 1HG2 VAL 78 -9.612 3.598 -1.795 524 HG23 VAL 78 2HG2 VAL 78 -7.952 3.578 -1.200 525 H LEU 79 H LEU 79 -8.479 2.320 3.416 526 HA LEU 79 HA LEU 79 -9.671 -0.340 3.843 527 HB3 LEU 79 2HB LEU 79 -8.207 1.330 5.876 528 HG LEU 79 HG LEU 79 -9.594 -0.399 6.911 529 HD11 LEU 79 1HD1 LEU 79 -8.011 -2.318 5.209 530 HD12 LEU 79 2HD1 LEU 79 -9.725 -1.946 5.035 531 HD13 LEU 79 3HD1 LEU 79 -9.144 -2.762 6.486 532 HD21 LEU 79 3HD2 LEU 79 -7.988 -0.632 8.426 533 HD22 LEU 79 1HD2 LEU 79 -6.835 -0.004 7.249 534 HD23 LEU 79 2HD2 LEU 79 -7.104 -1.742 7.378 535 H ARG 80 H ARG 80 -11.794 -0.195 4.119 536 HA ARG 80 HA ARG 80 -13.857 0.610 4.679 537 HB3 ARG 80 2HB ARG 80 -12.380 1.496 7.162 538 HG3 ARG 80 2HG ARG 80 -15.094 0.400 7.364 539 HD3 ARG 80 2HD ARG 80 -13.466 1.491 9.128 540 HE ARG 80 HE ARG 80 -14.279 3.794 7.686 541 HH11 ARG 80 1HH1 ARG 80 -13.756 2.601 10.915 542 HH12 ARG 80 2HH1 ARG 80 -13.404 4.164 11.576 543 HH21 ARG 80 1HH2 ARG 80 -13.819 5.857 8.544 544 HH22 ARG 80 2HH2 ARG 80 -13.441 6.015 10.226 545 H LEU 81 H LEU 81 -13.361 2.250 2.906 546 HA LEU 81 HA LEU 81 -12.567 4.852 3.340 547 HB3 LEU 81 2HB LEU 81 -13.140 3.752 1.151 548 HG LEU 81 HG LEU 81 -15.275 3.821 0.202 549 HD11 LEU 81 1HD1 LEU 81 -16.632 2.427 1.617 550 HD12 LEU 81 2HD1 LEU 81 -15.739 2.941 3.047 551 HD13 LEU 81 3HD1 LEU 81 -14.939 1.972 1.811 552 HD21 LEU 81 3HD2 LEU 81 -15.687 6.091 1.554 553 HD22 LEU 81 1HD2 LEU 81 -16.665 4.997 2.533 554 HD23 LEU 81 2HD2 LEU 81 -16.992 5.166 0.809 555 H ARG 82 H ARG 82 -14.036 6.822 3.240 556 HA ARG 82 HA ARG 82 -16.491 6.488 4.793 557 HB3 ARG 82 2HB ARG 82 -14.228 8.340 5.560 558 HG3 ARG 82 2HG ARG 82 -16.931 8.009 6.847 559 HD3 ARG 82 2HD ARG 82 -14.509 9.619 7.639 560 HE ARG 82 HE ARG 82 -17.260 10.070 8.324 561 HH11 ARG 82 1HH1 ARG 82 -13.967 10.305 9.427 562 HH12 ARG 82 2HH1 ARG 82 -14.302 11.565 10.570 563 HH21 ARG 82 1HH2 ARG 82 -17.714 11.728 9.823 564 HH22 ARG 82 2HH2 ARG 82 -16.434 12.373 10.794 565 H GLY 83 H GLY 83 -14.356 8.913 3.280 566 HA2 GLY 83 2HA GLY 83 -15.068 10.186 1.374 567 HA3 GLY 83 3HA GLY 83 -16.728 10.008 1.924 568 H TYR 84 H TYR 84 -13.754 11.776 2.281 569 HA TYR 84 HA TYR 84 -15.159 14.063 3.282 570 HB3 TYR 84 2HB TYR 84 -13.247 12.589 5.102 571 HD1 TYR 84 1HD TYR 84 -15.658 15.319 5.777 572 HD2 TYR 84 2HD TYR 84 -11.567 14.155 5.667 573 HE1 TYR 84 1HE TYR 84 -15.038 17.409 6.916 574 HE2 TYR 84 2HE TYR 84 -10.936 16.240 6.808 575 HH TYR 84 HH TYR 84 -13.384 18.531 7.935 576 H ALA 85 H ALA 85 -14.315 15.396 1.794 577 HA ALA 85 HA ALA 85 -11.392 15.728 1.783 578 HB1 ALA 85 1HB ALA 85 -12.474 16.397 -0.784 579 HB2 ALA 85 2HB ALA 85 -11.222 15.225 -0.371 580 HB3 ALA 85 3HB ALA 85 -12.919 14.744 -0.360 581 H ASP 86 H ASP 86 -10.752 17.862 0.780 582 HA ASP 86 HA ASP 86 -12.580 19.993 0.563 583 HB3 ASP 86 2HB ASP 86 -10.993 20.198 3.106 584 H LEU 87 H LEU 87 -11.388 22.168 0.661 585 HA LEU 87 HA LEU 87 -8.822 21.801 -0.691 586 HB3 LEU 87 2HB LEU 87 -9.113 23.983 -1.579 587 HG LEU 87 HG LEU 87 -10.890 22.105 -2.292 588 HD11 LEU 87 1HD1 LEU 87 -12.431 24.257 -0.915 589 HD12 LEU 87 2HD1 LEU 87 -12.691 22.513 -0.921 590 HD13 LEU 87 3HD1 LEU 87 -13.107 23.470 -2.342 591 HD21 LEU 87 3HD2 LEU 87 -9.962 23.550 -3.898 592 HD22 LEU 87 1HD2 LEU 87 -10.675 24.978 -3.146 593 HD23 LEU 87 2HD2 LEU 87 -11.704 23.818 -3.987 594 H ARG 88 H ARG 88 -10.176 23.004 2.246 595 HA ARG 88 HA ARG 88 -7.569 24.150 2.997 596 HB3 ARG 88 2HB ARG 88 -10.036 24.710 4.577 597 HG3 ARG 88 2HG ARG 88 -7.779 25.611 5.205 598 HD3 ARG 88 2HD ARG 88 -7.089 26.090 2.839 599 HE ARG 88 HE ARG 88 -8.511 27.437 1.677 600 HH11 ARG 88 1HH1 ARG 88 -8.260 28.645 4.933 601 HH12 ARG 88 2HH1 ARG 88 -9.224 30.050 4.626 602 HH21 ARG 88 1HH2 ARG 88 -9.783 29.284 1.261 603 HH22 ARG 88 2HH2 ARG 88 -10.092 30.412 2.537 604 H GLU 89 H GLU 89 -6.854 23.811 5.200 605 HA GLU 89 HA GLU 89 -6.283 22.443 6.927 606 HB3 GLU 89 2HB GLU 89 -9.126 21.466 6.967 607 HG3 GLU 89 2HG GLU 89 -7.287 20.764 8.659 608 H ASP 90 H ASP 90 -5.396 21.342 4.756 609 HA ASP 90 HA ASP 90 -6.218 18.513 4.884 610 HB3 ASP 90 2HB ASP 90 -6.770 19.005 2.706 611 HA PRO 91 HA PRO 91 -2.127 17.374 5.976 612 HB3 PRO 91 2HB PRO 91 -2.837 15.189 5.975 613 HG3 PRO 91 2HG PRO 91 -4.339 14.416 4.375 614 HD3 PRO 91 2HD PRO 91 -5.449 16.308 5.082 615 H ASP 92 H ASP 92 -0.892 19.050 5.078 616 HA ASP 92 HA ASP 92 0.881 18.254 2.984 617 HB3 ASP 92 2HB ASP 92 0.239 20.568 1.770 618 H ARG 93 H ARG 93 2.817 19.170 3.299 619 HA ARG 93 HA ARG 93 2.939 21.581 4.990 620 HB3 ARG 93 2HB ARG 93 4.866 20.740 6.098 621 HG3 ARG 93 2HG ARG 93 3.302 18.206 5.870 622 HD3 ARG 93 2HD ARG 93 3.571 18.548 8.443 623 HE ARG 93 HE ARG 93 5.399 17.395 6.571 624 HH11 ARG 93 1HH1 ARG 93 4.879 18.119 9.935 625 HH12 ARG 93 2HH1 ARG 93 5.920 16.856 10.503 626 HH21 ARG 93 1HH2 ARG 93 6.773 15.728 7.305 627 HH22 ARG 93 2HH2 ARG 93 6.998 15.497 9.006 628 H GLN 94 H GLN 94 5.577 22.175 4.841 629 HA GLN 94 HA GLN 94 5.828 23.025 2.065 630 HB3 GLN 94 2HB GLN 94 7.382 24.654 2.838 631 HG3 GLN 94 2HG GLN 94 5.343 24.375 5.034 632 HE21 GLN 94 1HE2 GLN 94 7.002 25.305 6.406 633 HE22 GLN 94 2HE2 GLN 94 7.293 27.006 6.343 634 H ASP 95 H ASP 95 7.505 22.499 0.729 635 HA ASP 95 HA ASP 95 9.244 20.318 1.657 636 HB3 ASP 95 2HB ASP 95 9.579 20.000 -0.880 637 H HIS 96 H HIS 96 10.289 22.446 2.628 638 HA HIS 96 HA HIS 96 12.084 23.714 0.709 639 HB3 HIS 96 2HB HIS 96 12.798 24.908 2.959 640 HD1 HIS 96 1HD HIS 96 10.114 24.775 0.426 641 HD2 HIS 96 2HD HIS 96 11.642 27.515 3.149 642 HE1 HIS 96 1HE HIS 96 9.177 27.004 -0.266 643 H HIS 97 H HIS 97 14.399 23.996 1.396 644 HA HIS 97 HA HIS 97 15.402 21.522 2.645 645 HB3 HIS 97 2HB HIS 97 17.479 22.239 1.082 646 HD1 HIS 97 1HD HIS 97 14.082 20.862 0.021 647 HD2 HIS 97 2HD HIS 97 18.082 19.760 0.229 648 HE1 HIS 97 1HE HIS 97 14.175 18.506 -0.853 649 HA PRO 98 HA PRO 98 17.766 23.914 5.461 650 HB3 PRO 98 2HB PRO 98 18.551 21.938 6.331 651 HG3 PRO 98 2HG PRO 98 19.053 20.136 4.951 652 HD3 PRO 98 2HD PRO 98 16.942 20.650 4.180 653 H GLY 99 H GLY 99 19.507 25.381 5.681 654 HA2 GLY 99 2HA GLY 99 20.681 26.167 3.104 655 HA3 GLY 99 3HA GLY 99 20.488 27.212 4.503 656 H SER 100 H SER 100 21.956 27.026 6.250 657 HA SER 100 HA SER 100 24.013 26.786 7.190 658 HB3 SER 100 2HB SER 100 24.501 24.323 5.540 659 HG SER 100 HG SER 100 26.010 25.054 7.161 660 H GLY 101 H GLY 101 24.047 28.616 5.300 661 HA2 GLY 101 2HA GLY 101 26.400 28.010 3.621 662 HA3 GLY 101 3HA GLY 101 25.167 29.191 3.206 663 H ALA 102 H ALA 102 27.928 28.512 5.245 664 HA ALA 102 HA ALA 102 27.944 31.257 6.252 665 HB1 ALA 102 1HB ALA 102 28.766 28.772 7.310 666 HB2 ALA 102 2HB ALA 102 30.213 29.764 7.125 667 HB3 ALA 102 3HB ALA 102 28.850 30.363 8.068 668 H GLN 103 H GLN 103 30.103 32.378 6.288 669 HA GLN 103 HA GLN 103 31.223 32.297 3.602 670 HB3 GLN 103 2HB GLN 103 32.100 34.270 5.666 671 HG3 GLN 103 2HG GLN 103 33.060 34.473 3.460 672 HE21 GLN 103 1HE2 GLN 103 32.892 33.753 1.474 673 HE22 GLN 103 2HE2 GLN 103 31.461 33.737 0.506 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -21.321 22.819 -5.297 2 HA2 GLY 1 2HA GLY 1 -19.370 23.756 -4.535 3 HA3 GLY 1 3HA GLY 1 -20.326 24.361 -3.191 4 H SER 2 H SER 2 -17.643 22.691 -3.862 5 HA SER 2 HA SER 2 -17.521 21.540 -1.225 6 HB3 SER 2 2HB SER 2 -16.993 19.252 -1.980 7 HG SER 2 HG SER 2 -19.227 18.919 -2.997 8 H LEU 3 H LEU 3 -15.334 20.404 -0.925 9 HA LEU 3 HA LEU 3 -13.287 22.208 -1.542 10 HB3 LEU 3 2HB LEU 3 -13.297 20.625 0.368 11 HG LEU 3 HG LEU 3 -12.933 18.578 -1.756 12 HD11 LEU 3 1HD1 LEU 3 -11.918 17.537 0.688 13 HD12 LEU 3 2HD1 LEU 3 -10.982 18.967 0.254 14 HD13 LEU 3 3HD1 LEU 3 -11.130 17.631 -0.887 15 HD21 LEU 3 3HD2 LEU 3 -14.447 18.963 0.753 16 HD22 LEU 3 1HD2 LEU 3 -13.922 17.319 0.391 17 HD23 LEU 3 2HD2 LEU 3 -14.930 18.197 -0.761 18 H VAL 4 H VAL 4 -11.344 21.852 -2.800 19 HA VAL 4 HA VAL 4 -11.876 20.272 -5.232 20 HB VAL 4 HB VAL 4 -10.189 21.880 -6.295 21 HG11 VAL 4 1HG1 VAL 4 -11.909 23.142 -7.105 22 HG12 VAL 4 2HG1 VAL 4 -12.836 21.854 -6.335 23 HG13 VAL 4 3HG1 VAL 4 -12.618 23.398 -5.511 24 HG21 VAL 4 3HG2 VAL 4 -9.369 22.807 -4.153 25 HG22 VAL 4 1HG2 VAL 4 -9.937 24.049 -5.267 26 HG23 VAL 4 2HG2 VAL 4 -10.944 23.559 -3.905 27 HA PRO 5 HA PRO 5 -8.252 17.889 -4.563 28 HB3 PRO 5 2HB PRO 5 -8.820 16.704 -6.448 29 HG3 PRO 5 2HG PRO 5 -9.754 17.766 -8.295 30 HD3 PRO 5 2HD PRO 5 -11.115 18.596 -6.631 31 H ARG 6 H ARG 6 -5.881 17.781 -5.057 32 HA ARG 6 HA ARG 6 -4.506 19.974 -6.188 33 HB3 ARG 6 2HB ARG 6 -4.216 19.952 -3.205 34 HG3 ARG 6 2HG ARG 6 -2.743 21.259 -4.937 35 HD3 ARG 6 2HD ARG 6 -4.692 22.337 -6.027 36 HE ARG 6 HE ARG 6 -6.250 23.191 -4.598 37 HH11 ARG 6 1HH1 ARG 6 -3.082 24.027 -3.419 38 HH12 ARG 6 2HH1 ARG 6 -3.680 25.028 -2.138 39 HH21 ARG 6 1HH2 ARG 6 -7.049 24.506 -2.915 40 HH22 ARG 6 2HH2 ARG 6 -5.937 25.300 -1.852 41 H GLY 7 H GLY 7 -2.528 19.289 -6.720 42 HA2 GLY 7 2HA GLY 7 -0.618 18.052 -5.259 43 HA3 GLY 7 3HA GLY 7 -1.637 16.712 -5.761 44 H SER 8 H SER 8 0.905 16.605 -6.549 45 HA SER 8 HA SER 8 1.004 17.654 -9.288 46 HB3 SER 8 2HB SER 8 3.185 16.437 -7.572 47 HG SER 8 HG SER 8 3.968 17.899 -9.716 48 H MET 9 H MET 9 0.867 14.707 -7.434 49 HA MET 9 HA MET 9 0.997 13.140 -9.923 50 HB3 MET 9 2HB MET 9 1.987 11.424 -8.796 51 HG3 MET 9 2HG MET 9 3.460 12.140 -6.982 52 HE1 MET 9 3HE MET 9 6.023 12.714 -7.979 53 HE2 MET 9 1HE MET 9 6.148 14.427 -8.384 54 HE3 MET 9 2HE MET 9 5.336 13.929 -6.899 55 H GLN 10 H GLN 10 -0.732 11.995 -10.575 56 HA GLN 10 HA GLN 10 -3.001 11.737 -8.719 57 HB3 GLN 10 2HB GLN 10 -4.530 12.159 -10.617 58 HG3 GLN 10 2HG GLN 10 -2.686 14.205 -9.600 59 HE21 GLN 10 1HE2 GLN 10 -4.870 16.129 -10.456 60 HE22 GLN 10 2HE2 GLN 10 -4.373 16.651 -12.025 61 H ILE 11 H ILE 11 -4.183 9.857 -8.843 62 HA ILE 11 HA ILE 11 -3.571 7.917 -10.925 63 HB ILE 11 HB ILE 11 -2.088 7.741 -8.673 64 HG13 ILE 11 2HG1 ILE 11 -1.837 6.431 -10.755 65 HG21 ILE 11 1HG2 ILE 11 -4.273 5.752 -8.163 66 HG22 ILE 11 2HG2 ILE 11 -2.960 6.253 -7.098 67 HG23 ILE 11 3HG2 ILE 11 -4.295 7.355 -7.429 68 HD11 ILE 11 3HD1 ILE 11 -0.483 4.983 -9.771 69 HD12 ILE 11 1HD1 ILE 11 -1.098 5.579 -8.229 70 HD13 ILE 11 2HD1 ILE 11 -1.826 4.158 -8.979 71 H PHE 12 H PHE 12 -4.903 5.845 -10.505 72 HA PHE 12 HA PHE 12 -7.597 6.699 -9.700 73 HB3 PHE 12 2HB PHE 12 -7.715 4.221 -11.065 74 HD1 PHE 12 1HD PHE 12 -10.029 5.102 -10.592 75 HD2 PHE 12 2HD PHE 12 -7.360 6.971 -13.331 76 HE1 PHE 12 1HE PHE 12 -11.923 6.277 -11.633 77 HE2 PHE 12 2HE PHE 12 -9.250 8.149 -14.375 78 HZ PHE 12 HZ PHE 12 -11.536 7.802 -13.528 79 H VAL 13 H VAL 13 -8.480 5.871 -7.929 80 HA VAL 13 HA VAL 13 -7.501 3.277 -6.936 81 HB VAL 13 HB VAL 13 -8.139 5.677 -5.214 82 HG11 VAL 13 1HG1 VAL 13 -6.750 3.749 -3.749 83 HG12 VAL 13 2HG1 VAL 13 -8.453 4.186 -3.594 84 HG13 VAL 13 3HG1 VAL 13 -7.975 2.856 -4.650 85 HG21 VAL 13 3HG2 VAL 13 -6.051 6.308 -5.687 86 HG22 VAL 13 1HG2 VAL 13 -5.528 4.917 -4.738 87 HG23 VAL 13 2HG2 VAL 13 -5.686 4.780 -6.489 88 H LYS 14 H LYS 14 -9.026 1.879 -6.235 89 HA LYS 14 HA LYS 14 -11.811 2.844 -6.167 90 HB3 LYS 14 2HB LYS 14 -12.288 0.350 -6.789 91 HG3 LYS 14 2HG LYS 14 -11.880 0.839 -9.247 92 HD3 LYS 14 2HD LYS 14 -13.486 2.621 -7.442 93 HE3 LYS 14 2HE LYS 14 -12.837 3.806 -9.582 94 HZ1 LYS 14 3HZ LYS 14 -13.422 1.443 -10.767 95 HZ2 LYS 14 1HZ LYS 14 -13.288 2.929 -11.565 96 HZ3 LYS 14 2HZ LYS 14 -14.807 2.359 -11.088 97 H THR 15 H THR 15 -12.692 2.724 -4.221 98 HA THR 15 HA THR 15 -11.462 1.235 -2.099 99 HB THR 15 HB THR 15 -13.196 2.137 -0.667 100 HG1 THR 15 1HG THR 15 -14.401 2.992 -3.106 101 HG21 THR 15 3HG2 THR 15 -11.344 3.628 -1.294 102 HG22 THR 15 1HG2 THR 15 -12.836 4.524 -1.012 103 HG23 THR 15 2HG2 THR 15 -12.290 4.217 -2.661 104 H LEU 16 H LEU 16 -13.125 0.023 -0.583 105 HA LEU 16 HA LEU 16 -13.999 -2.263 -2.085 106 HB3 LEU 16 2HB LEU 16 -13.031 -2.771 -0.021 107 HG LEU 16 HG LEU 16 -14.188 -0.378 0.987 108 HD11 LEU 16 1HD1 LEU 16 -15.289 -2.866 2.135 109 HD12 LEU 16 2HD1 LEU 16 -15.962 -1.237 2.091 110 HD13 LEU 16 3HD1 LEU 16 -14.727 -1.648 3.280 111 HD21 LEU 16 3HD2 LEU 16 -12.036 -0.583 1.624 112 HD22 LEU 16 1HD2 LEU 16 -12.111 -2.343 1.695 113 HD23 LEU 16 2HD2 LEU 16 -12.742 -1.380 3.031 114 H THR 17 H THR 17 -15.434 0.642 -1.068 115 HA THR 17 HA THR 17 -18.143 -0.466 -1.152 116 HB THR 17 HB THR 17 -17.458 1.148 0.671 117 HG1 THR 17 1HG THR 17 -19.607 1.036 0.503 118 HG21 THR 17 3HG2 THR 17 -17.432 3.527 0.120 119 HG22 THR 17 1HG2 THR 17 -17.610 3.144 -1.592 120 HG23 THR 17 2HG2 THR 17 -16.143 2.677 -0.731 121 H GLY 18 H GLY 18 -15.960 1.619 -2.923 122 HA2 GLY 18 2HA GLY 18 -16.503 1.501 -5.400 123 HA3 GLY 18 3HA GLY 18 -18.084 2.096 -4.918 124 H LYS 19 H LYS 19 -16.208 3.609 -2.817 125 HA LYS 19 HA LYS 19 -16.393 6.122 -4.074 126 HB3 LYS 19 2HB LYS 19 -14.368 5.849 -1.948 127 HG3 LYS 19 2HG LYS 19 -15.793 7.928 -2.826 128 HD3 LYS 19 2HD LYS 19 -17.429 8.369 -0.880 129 HE3 LYS 19 2HE LYS 19 -19.287 7.328 -2.091 130 HZ1 LYS 19 3HZ LYS 19 -19.093 8.798 -3.733 131 HZ2 LYS 19 1HZ LYS 19 -17.716 8.053 -4.375 132 HZ3 LYS 19 2HZ LYS 19 -17.563 9.165 -3.111 133 H THR 20 H THR 20 -14.774 7.505 -4.873 134 HA THR 20 HA THR 20 -12.324 6.128 -5.765 135 HB THR 20 HB THR 20 -12.585 8.164 -7.559 136 HG1 THR 20 1HG THR 20 -14.601 8.819 -7.379 137 HG21 THR 20 3HG2 THR 20 -12.120 5.722 -7.943 138 HG22 THR 20 1HG2 THR 20 -13.139 6.484 -9.162 139 HG23 THR 20 2HG2 THR 20 -13.863 5.457 -7.925 140 H ILE 21 H ILE 21 -10.472 6.990 -5.097 141 HA ILE 21 HA ILE 21 -10.398 9.845 -4.403 142 HB ILE 21 HB ILE 21 -8.854 9.250 -2.506 143 HG13 ILE 21 2HG1 ILE 21 -8.606 7.073 -1.748 144 HG21 ILE 21 1HG2 ILE 21 -10.992 9.970 -1.893 145 HG22 ILE 21 2HG2 ILE 21 -11.757 8.501 -2.495 146 HG23 ILE 21 3HG2 ILE 21 -10.783 8.448 -1.027 147 HD11 ILE 21 3HD1 ILE 21 -11.249 6.600 -2.961 148 HD12 ILE 21 1HD1 ILE 21 -10.122 5.243 -2.970 149 HD13 ILE 21 2HD1 ILE 21 -10.568 6.011 -1.446 150 H THR 22 H THR 22 -8.565 10.919 -4.965 151 HA THR 22 HA THR 22 -6.813 9.649 -6.844 152 HB THR 22 HB THR 22 -6.032 12.299 -5.805 153 HG1 THR 22 1HG THR 22 -8.341 12.208 -7.423 154 HG21 THR 22 3HG2 THR 22 -6.578 11.186 -8.559 155 HG22 THR 22 1HG2 THR 22 -5.000 11.368 -7.794 156 HG23 THR 22 2HG2 THR 22 -5.942 12.796 -8.226 157 H LEU 23 H LEU 23 -4.712 9.044 -6.608 158 HA LEU 23 HA LEU 23 -3.530 9.327 -3.924 159 HB3 LEU 23 2HB LEU 23 -2.435 7.057 -5.207 160 HG LEU 23 HG LEU 23 -3.327 5.739 -3.410 161 HD11 LEU 23 1HD1 LEU 23 -1.447 7.302 -2.951 162 HD12 LEU 23 2HD1 LEU 23 -2.408 6.898 -1.529 163 HD13 LEU 23 3HD1 LEU 23 -2.620 8.458 -2.322 164 HD21 LEU 23 3HD2 LEU 23 -5.618 6.758 -3.513 165 HD22 LEU 23 1HD2 LEU 23 -4.981 8.118 -2.587 166 HD23 LEU 23 2HD2 LEU 23 -4.988 6.500 -1.885 167 H GLU 24 H GLU 24 -1.177 9.273 -3.863 168 HA GLU 24 HA GLU 24 -0.045 10.561 -6.241 169 HB3 GLU 24 2HB GLU 24 0.550 10.662 -3.323 170 HG3 GLU 24 2HG GLU 24 2.589 11.229 -5.459 171 H VAL 25 H VAL 25 1.948 9.914 -7.112 172 HA VAL 25 HA VAL 25 2.893 7.253 -6.280 173 HB VAL 25 HB VAL 25 3.166 6.543 -8.539 174 HG11 VAL 25 1HG1 VAL 25 0.467 7.858 -8.554 175 HG12 VAL 25 2HG1 VAL 25 0.936 6.289 -9.212 176 HG13 VAL 25 3HG1 VAL 25 0.845 6.524 -7.466 177 HG21 VAL 25 3HG2 VAL 25 3.910 8.475 -9.662 178 HG22 VAL 25 1HG2 VAL 25 2.372 8.062 -10.419 179 HG23 VAL 25 2HG2 VAL 25 2.453 9.377 -9.247 180 H GLU 26 H GLU 26 5.103 6.826 -6.601 181 HA GLU 26 HA GLU 26 6.937 8.505 -7.865 182 HB3 GLU 26 2HB GLU 26 7.811 9.108 -5.282 183 HG3 GLU 26 2HG GLU 26 6.637 10.678 -7.512 184 HA PRO 27 HA PRO 27 9.156 4.763 -7.042 185 HB3 PRO 27 2HB PRO 27 10.046 5.022 -9.144 186 HG3 PRO 27 2HG PRO 27 10.421 7.137 -10.036 187 HD3 PRO 27 2HD PRO 27 8.239 7.382 -9.336 188 H SER 28 H SER 28 10.270 7.946 -6.118 189 HA SER 28 HA SER 28 12.204 6.781 -4.246 190 HB3 SER 28 2HB SER 28 13.131 8.542 -5.610 191 HG SER 28 HG SER 28 11.753 10.660 -4.736 192 H ASP 29 H ASP 29 9.055 7.938 -4.356 193 HA ASP 29 HA ASP 29 9.076 8.643 -1.498 194 HB3 ASP 29 2HB ASP 29 6.625 9.140 -3.069 195 H THR 30 H THR 30 8.401 7.128 -0.150 196 HA THR 30 HA THR 30 6.950 4.822 -1.123 197 HB THR 30 HB THR 30 8.758 4.513 0.509 198 HG1 THR 30 1HG THR 30 6.426 3.848 1.933 199 HG21 THR 30 3HG2 THR 30 7.019 6.286 2.194 200 HG22 THR 30 1HG2 THR 30 8.749 6.408 1.877 201 HG23 THR 30 2HG2 THR 30 8.134 5.138 2.935 202 H ILE 31 H ILE 31 5.133 3.984 0.367 203 HA ILE 31 HA ILE 31 2.915 5.627 0.124 204 HB ILE 31 HB ILE 31 3.417 3.228 1.869 205 HG13 ILE 31 2HG1 ILE 31 1.978 3.771 -0.718 206 HG21 ILE 31 1HG2 ILE 31 0.881 3.233 2.151 207 HG22 ILE 31 2HG2 ILE 31 1.805 4.373 3.128 208 HG23 ILE 31 3HG2 ILE 31 0.953 4.933 1.690 209 HD11 ILE 31 3HD1 ILE 31 4.127 1.881 0.151 210 HD12 ILE 31 1HD1 ILE 31 3.154 1.575 -1.288 211 HD13 ILE 31 2HD1 ILE 31 4.134 3.037 -1.179 212 H GLU 32 H GLU 32 5.301 5.494 2.632 213 HA GLU 32 HA GLU 32 3.984 6.515 4.823 214 HB3 GLU 32 2HB GLU 32 6.137 7.435 5.535 215 HG3 GLU 32 2HG GLU 32 7.633 5.395 4.879 216 H ASN 33 H ASN 33 5.624 8.409 2.285 217 HA ASN 33 HA ASN 33 4.537 10.882 3.272 218 HB3 ASN 33 2HB ASN 33 5.760 10.620 0.551 219 HD21 ASN 33 1HD2 ASN 33 7.888 12.219 2.249 220 HD22 ASN 33 2HD2 ASN 33 7.259 13.825 2.177 221 H VAL 34 H VAL 34 3.914 8.714 0.554 222 HA VAL 34 HA VAL 34 2.115 10.253 -0.891 223 HB VAL 34 HB VAL 34 1.925 7.267 -0.483 224 HG11 VAL 34 1HG1 VAL 34 1.173 8.818 -2.939 225 HG12 VAL 34 2HG1 VAL 34 0.714 7.176 -2.484 226 HG13 VAL 34 3HG1 VAL 34 0.030 8.556 -1.623 227 HG21 VAL 34 3HG2 VAL 34 3.226 7.961 -2.912 228 HG22 VAL 34 1HG2 VAL 34 4.040 8.798 -1.591 229 HG23 VAL 34 2HG2 VAL 34 3.863 7.045 -1.547 230 H LYS 35 H LYS 35 1.640 8.422 2.056 231 HA LYS 35 HA LYS 35 -1.104 8.204 2.170 232 HB3 LYS 35 2HB LYS 35 0.719 7.442 3.850 233 HG3 LYS 35 2HG LYS 35 1.134 10.023 4.360 234 HD3 LYS 35 2HD LYS 35 -1.250 9.242 5.935 235 HE3 LYS 35 2HE LYS 35 1.220 10.314 7.131 236 HZ1 LYS 35 3HZ LYS 35 -1.128 11.365 8.424 237 HZ2 LYS 35 1HZ LYS 35 -0.794 12.097 6.936 238 HZ3 LYS 35 2HZ LYS 35 0.376 12.091 8.157 239 H ALA 36 H ALA 36 0.868 11.044 2.476 240 HA ALA 36 HA ALA 36 -0.981 12.734 3.771 241 HB1 ALA 36 1HB ALA 36 0.531 14.395 3.439 242 HB2 ALA 36 2HB ALA 36 1.583 13.016 3.125 243 HB3 ALA 36 3HB ALA 36 0.873 13.907 1.779 244 H LYS 37 H LYS 37 -0.300 12.200 0.323 245 HA LYS 37 HA LYS 37 -2.105 14.054 -0.720 246 HB3 LYS 37 2HB LYS 37 -2.092 11.886 -2.498 247 HG3 LYS 37 2HG LYS 37 -1.498 14.459 -2.723 248 HD3 LYS 37 2HD LYS 37 1.095 14.056 -3.527 249 HE3 LYS 37 2HE LYS 37 1.699 15.398 -1.511 250 HZ1 LYS 37 3HZ LYS 37 0.416 16.239 -3.638 251 HZ2 LYS 37 1HZ LYS 37 0.766 17.272 -2.345 252 HZ3 LYS 37 2HZ LYS 37 -0.777 16.595 -2.494 253 H ILE 38 H ILE 38 -2.572 10.581 -0.087 254 HA ILE 38 HA ILE 38 -5.311 10.574 -0.833 255 HB ILE 38 HB ILE 38 -4.059 8.509 -0.864 256 HG13 ILE 38 2HG1 ILE 38 -5.798 7.194 -0.208 257 HG21 ILE 38 1HG2 ILE 38 -2.470 8.863 0.877 258 HG22 ILE 38 2HG2 ILE 38 -3.741 8.961 2.096 259 HG23 ILE 38 3HG2 ILE 38 -3.403 7.426 1.297 260 HD11 ILE 38 3HD1 ILE 38 -7.034 7.445 1.932 261 HD12 ILE 38 1HD1 ILE 38 -5.329 7.038 2.122 262 HD13 ILE 38 2HD1 ILE 38 -5.876 8.692 2.396 263 H GLN 39 H GLN 39 -3.610 11.207 2.149 264 HA GLN 39 HA GLN 39 -5.683 10.881 3.987 265 HB3 GLN 39 2HB GLN 39 -4.262 13.008 4.994 266 HG3 GLN 39 2HG GLN 39 -2.886 10.414 5.203 267 HE21 GLN 39 1HE2 GLN 39 -3.697 9.953 7.821 268 HE22 GLN 39 2HE2 GLN 39 -3.119 11.241 8.818 269 H ASP 40 H ASP 40 -5.021 13.454 1.730 270 HA ASP 40 HA ASP 40 -6.833 15.336 2.912 271 HB3 ASP 40 2HB ASP 40 -5.677 15.285 0.116 272 H LYS 41 H LYS 41 -7.088 12.721 0.661 273 HA LYS 41 HA LYS 41 -9.581 13.544 -0.493 274 HB3 LYS 41 2HB LYS 41 -9.526 10.927 -1.056 275 HG3 LYS 41 2HG LYS 41 -9.009 13.108 -2.513 276 HD3 LYS 41 2HD LYS 41 -6.725 12.286 -3.627 277 HE3 LYS 41 2HE LYS 41 -6.511 14.005 -1.185 278 HZ1 LYS 41 3HZ LYS 41 -5.598 14.941 -3.754 279 HZ2 LYS 41 1HZ LYS 41 -4.823 13.533 -3.227 280 HZ3 LYS 41 2HZ LYS 41 -4.800 14.922 -2.263 281 H GLU 42 H GLU 42 -8.679 10.946 1.780 282 HA GLU 42 HA GLU 42 -11.404 11.111 2.885 283 HB3 GLU 42 2HB GLU 42 -11.308 9.065 1.651 284 HG3 GLU 42 2HG GLU 42 -9.462 7.411 2.828 285 H GLY 43 H GLY 43 -7.989 10.529 3.464 286 HA2 GLY 43 2HA GLY 43 -6.870 11.307 5.404 287 HA3 GLY 43 3HA GLY 43 -8.400 11.279 6.267 288 H ILE 44 H ILE 44 -7.692 8.524 4.356 289 HA ILE 44 HA ILE 44 -7.694 6.814 6.635 290 HB ILE 44 HB ILE 44 -7.303 6.359 3.697 291 HG13 ILE 44 2HG1 ILE 44 -9.349 5.086 3.909 292 HG21 ILE 44 1HG2 ILE 44 -7.256 3.882 4.311 293 HG22 ILE 44 2HG2 ILE 44 -5.768 4.800 4.537 294 HG23 ILE 44 3HG2 ILE 44 -6.785 4.415 5.924 295 HD11 ILE 44 3HD1 ILE 44 -9.300 5.688 6.855 296 HD12 ILE 44 1HD1 ILE 44 -10.567 4.842 5.967 297 HD13 ILE 44 2HD1 ILE 44 -8.971 4.111 6.136 298 HA PRO 45 HA PRO 45 -3.367 6.991 7.566 299 HB3 PRO 45 2HB PRO 45 -3.978 6.492 9.723 300 HG3 PRO 45 2HG PRO 45 -5.827 5.154 10.167 301 HD3 PRO 45 2HD PRO 45 -6.770 6.657 8.696 302 HA PRO 46 HA PRO 46 -1.662 4.023 4.753 303 HB3 PRO 46 2HB PRO 46 0.014 5.556 4.404 304 HG3 PRO 46 2HG PRO 46 0.733 6.957 6.114 305 HD3 PRO 46 2HD PRO 46 -1.543 7.293 6.258 306 H ASP 47 H ASP 47 -0.848 4.043 8.177 307 HA ASP 47 HA ASP 47 0.540 1.615 8.311 308 HB3 ASP 47 2HB ASP 47 -1.263 2.606 10.508 309 H GLN 48 H GLN 48 -2.876 2.323 8.168 310 HA GLN 48 HA GLN 48 -3.484 -0.538 8.478 311 HB3 GLN 48 2HB GLN 48 -5.678 0.050 9.127 312 HG3 GLN 48 2HG GLN 48 -5.453 1.769 10.884 313 HE21 GLN 48 1HE2 GLN 48 -2.161 0.914 10.883 314 HE22 GLN 48 2HE2 GLN 48 -2.278 -0.476 11.902 315 H GLN 49 H GLN 49 -3.581 2.148 6.291 316 HA GLN 49 HA GLN 49 -5.474 1.382 4.442 317 HB3 GLN 49 2HB GLN 49 -2.779 2.650 3.923 318 HG3 GLN 49 2HG GLN 49 -5.219 2.430 2.193 319 HE21 GLN 49 1HE2 GLN 49 -2.019 3.959 2.070 320 HE22 GLN 49 2HE2 GLN 49 -2.565 5.438 1.364 321 H ARG 50 H ARG 50 -5.745 -0.495 3.448 322 HA ARG 50 HA ARG 50 -3.651 -2.419 3.188 323 HB3 ARG 50 2HB ARG 50 -5.321 -3.798 2.070 324 HG3 ARG 50 2HG ARG 50 -7.339 -3.173 3.771 325 HD3 ARG 50 2HD ARG 50 -4.763 -4.640 4.302 326 HE ARG 50 HE ARG 50 -6.676 -4.051 6.231 327 HH11 ARG 50 1HH1 ARG 50 -5.167 -6.861 4.837 328 HH12 ARG 50 2HH1 ARG 50 -5.322 -7.819 6.272 329 HH21 ARG 50 1HH2 ARG 50 -6.887 -5.301 8.127 330 HH22 ARG 50 2HH2 ARG 50 -6.302 -6.930 8.143 331 H LEU 51 H LEU 51 -2.472 -3.007 1.426 332 HA LEU 51 HA LEU 51 -2.637 -1.214 -0.897 333 HB3 LEU 51 2HB LEU 51 -0.314 -3.014 -0.530 334 HG LEU 51 HG LEU 51 1.025 -1.226 -1.297 335 HD11 LEU 51 1HD1 LEU 51 -1.395 -0.736 -2.958 336 HD12 LEU 51 2HD1 LEU 51 -0.728 -2.367 -2.884 337 HD13 LEU 51 3HD1 LEU 51 0.273 -1.030 -3.449 338 HD21 LEU 51 3HD2 LEU 51 -0.494 0.972 -1.815 339 HD22 LEU 51 1HD2 LEU 51 0.538 0.771 -0.399 340 HD23 LEU 51 2HD2 LEU 51 -1.186 0.415 -0.290 341 H ILE 52 H ILE 52 -3.192 -1.978 -2.836 342 HA ILE 52 HA ILE 52 -3.073 -4.877 -3.304 343 HB ILE 52 HB ILE 52 -5.433 -3.066 -3.733 344 HG13 ILE 52 2HG1 ILE 52 -4.948 -5.697 -2.341 345 HG21 ILE 52 1HG2 ILE 52 -4.589 -5.409 -5.323 346 HG22 ILE 52 2HG2 ILE 52 -6.288 -5.339 -4.857 347 HG23 ILE 52 3HG2 ILE 52 -5.572 -4.019 -5.782 348 HD11 ILE 52 3HD1 ILE 52 -4.849 -4.414 -0.544 349 HD12 ILE 52 1HD1 ILE 52 -5.315 -2.982 -1.461 350 HD13 ILE 52 2HD1 ILE 52 -6.554 -4.045 -0.796 351 H PHE 53 H PHE 53 -1.841 -5.263 -5.011 352 HA PHE 53 HA PHE 53 -1.916 -3.367 -7.263 353 HB3 PHE 53 2HB PHE 53 0.471 -4.754 -6.045 354 HD1 PHE 53 2HD PHE 53 -0.689 -2.853 -9.018 355 HD2 PHE 53 1HD PHE 53 2.426 -5.141 -7.234 356 HE1 PHE 53 2HE PHE 53 0.522 -2.867 -11.159 357 HE2 PHE 53 1HE PHE 53 3.642 -5.158 -9.373 358 HZ PHE 53 HZ PHE 53 2.691 -4.021 -11.339 359 H ALA 54 H ALA 54 -2.784 -4.307 -8.977 360 HA ALA 54 HA ALA 54 -3.443 -5.877 -10.492 361 HB1 ALA 54 1HB ALA 54 -1.153 -5.862 -11.153 362 HB2 ALA 54 2HB ALA 54 -0.698 -6.916 -9.813 363 HB3 ALA 54 3HB ALA 54 -1.687 -7.543 -11.132 364 H GLY 55 H GLY 55 -4.242 -6.286 -7.731 365 HA2 GLY 55 2HA GLY 55 -5.689 -7.933 -6.880 366 HA3 GLY 55 3HA GLY 55 -4.949 -9.109 -7.956 367 H LYS 56 H LYS 56 -2.247 -8.066 -7.001 368 HA LYS 56 HA LYS 56 -2.129 -9.789 -4.635 369 HB3 LYS 56 2HB LYS 56 0.276 -8.675 -6.041 370 HG3 LYS 56 2HG LYS 56 -0.093 -11.451 -4.981 371 HD3 LYS 56 2HD LYS 56 2.395 -11.139 -4.617 372 HE3 LYS 56 2HE LYS 56 1.853 -10.778 -7.517 373 HZ1 LYS 56 3HZ LYS 56 3.836 -11.939 -5.964 374 HZ2 LYS 56 1HZ LYS 56 3.712 -11.946 -7.651 375 HZ3 LYS 56 2HZ LYS 56 3.049 -13.214 -6.748 376 H GLN 57 H GLN 57 -1.915 -8.959 -2.669 377 HA GLN 57 HA GLN 57 -1.612 -6.122 -2.311 378 HB3 GLN 57 2HB GLN 57 -3.071 -7.742 -0.931 379 HG3 GLN 57 2HG GLN 57 -2.070 -8.595 1.100 380 HE21 GLN 57 1HE2 GLN 57 -3.196 -10.018 -0.606 381 HE22 GLN 57 2HE2 GLN 57 -2.219 -11.273 -1.282 382 H LEU 58 H LEU 58 -0.019 -5.161 -0.868 383 HA LEU 58 HA LEU 58 2.617 -6.337 -1.313 384 HB3 LEU 58 2HB LEU 58 3.357 -4.061 -0.396 385 HG LEU 58 HG LEU 58 3.054 -2.838 -2.435 386 HD11 LEU 58 1HD1 LEU 58 3.194 -5.450 -3.709 387 HD12 LEU 58 2HD1 LEU 58 4.208 -5.325 -2.271 388 HD13 LEU 58 3HD1 LEU 58 4.408 -4.175 -3.594 389 HD21 LEU 58 3HD2 LEU 58 0.530 -3.869 -2.476 390 HD22 LEU 58 1HD2 LEU 58 1.316 -4.781 -3.765 391 HD23 LEU 58 2HD2 LEU 58 1.300 -3.018 -3.817 392 H GLU 59 H GLU 59 4.182 -5.495 0.624 393 HA GLU 59 HA GLU 59 3.181 -6.919 2.969 394 HB3 GLU 59 2HB GLU 59 5.959 -6.016 2.198 395 HG3 GLU 59 2HG GLU 59 4.936 -7.212 4.709 396 H ASP 60 H ASP 60 5.435 -4.185 2.716 397 HA ASP 60 HA ASP 60 3.797 -2.755 4.704 398 HB3 ASP 60 2HB ASP 60 6.716 -2.247 4.696 399 H GLY 61 H GLY 61 5.140 -0.386 4.817 400 HA2 GLY 61 2HA GLY 61 4.507 0.731 2.198 401 HA3 GLY 61 3HA GLY 61 4.766 1.636 3.681 402 H ARG 62 H ARG 62 6.209 0.331 0.841 403 HA ARG 62 HA ARG 62 8.740 1.644 1.567 404 HB3 ARG 62 2HB ARG 62 8.949 -0.640 -0.282 405 HG3 ARG 62 2HG ARG 62 10.867 0.667 0.753 406 HD3 ARG 62 2HD ARG 62 9.793 -0.784 3.129 407 HE ARG 62 HE ARG 62 12.409 -1.165 2.507 408 HH11 ARG 62 1HH1 ARG 62 10.739 0.609 4.994 409 HH12 ARG 62 2HH1 ARG 62 12.002 0.414 6.164 410 HH21 ARG 62 1HH2 ARG 62 14.080 -1.428 4.038 411 HH22 ARG 62 2HH2 ARG 62 13.903 -0.744 5.619 412 H THR 63 H THR 63 10.118 2.020 -0.451 413 HA THR 63 HA THR 63 8.521 3.496 -2.326 414 HB THR 63 HB THR 63 10.554 4.328 -3.228 415 HG1 THR 63 1HG THR 63 12.525 3.319 -2.906 416 HG21 THR 63 3HG2 THR 63 11.732 5.147 -1.281 417 HG22 THR 63 1HG2 THR 63 11.071 3.846 -0.291 418 HG23 THR 63 2HG2 THR 63 10.004 5.096 -0.933 419 H LEU 64 H LEU 64 8.694 3.268 -4.659 420 HA LEU 64 HA LEU 64 8.249 0.593 -5.500 421 HB3 LEU 64 2HB LEU 64 7.713 1.473 -7.582 422 HG LEU 64 HG LEU 64 7.306 3.924 -5.874 423 HD11 LEU 64 1HD1 LEU 64 5.619 2.921 -8.147 424 HD12 LEU 64 2HD1 LEU 64 6.963 4.037 -8.387 425 HD13 LEU 64 3HD1 LEU 64 5.596 4.507 -7.375 426 HD21 LEU 64 3HD2 LEU 64 4.935 2.591 -5.872 427 HD22 LEU 64 1HD2 LEU 64 6.117 2.545 -4.563 428 HD23 LEU 64 2HD2 LEU 64 6.089 1.259 -5.770 429 H SER 65 H SER 65 10.984 2.781 -5.670 430 HA SER 65 HA SER 65 12.516 1.200 -7.483 431 HB3 SER 65 2HB SER 65 13.609 3.202 -5.502 432 HG SER 65 HG SER 65 14.622 3.255 -7.993 433 H GLU 66 H GLU 66 12.233 1.392 -3.986 434 HA GLU 66 HA GLU 66 14.461 -0.332 -3.463 435 HB3 GLU 66 2HB GLU 66 13.387 -0.429 -1.141 436 HG3 GLU 66 2HG GLU 66 13.701 2.122 -0.780 437 H TYR 67 H TYR 67 10.955 -0.736 -3.649 438 HA TYR 67 HA TYR 67 11.140 -3.563 -3.032 439 HB3 TYR 67 2HB TYR 67 8.556 -3.021 -3.957 440 HD1 TYR 67 2HD TYR 67 10.687 -2.602 -0.925 441 HD2 TYR 67 1HD TYR 67 7.058 -4.110 -2.556 442 HE1 TYR 67 2HE TYR 67 10.175 -3.678 1.226 443 HE2 TYR 67 1HE TYR 67 6.535 -5.189 -0.409 444 HH TYR 67 HH TYR 67 8.794 -5.033 2.324 445 H ASN 68 H ASN 68 11.585 -1.689 -5.741 446 HA ASN 68 HA ASN 68 11.801 -2.144 -7.958 447 HB3 ASN 68 2HB ASN 68 12.395 -4.349 -8.617 448 HD21 ASN 68 1HD2 ASN 68 13.875 -2.427 -7.469 449 HD22 ASN 68 2HD2 ASN 68 14.985 -3.106 -6.333 450 H ILE 69 H ILE 69 9.097 -2.119 -6.495 451 HA ILE 69 HA ILE 69 7.428 -3.646 -8.321 452 HB ILE 69 HB ILE 69 5.539 -2.790 -6.991 453 HG13 ILE 69 2HG1 ILE 69 6.578 -0.601 -6.415 454 HG21 ILE 69 1HG2 ILE 69 7.833 -4.054 -5.515 455 HG22 ILE 69 2HG2 ILE 69 6.228 -3.867 -4.809 456 HG23 ILE 69 3HG2 ILE 69 6.444 -4.845 -6.261 457 HD11 ILE 69 3HD1 ILE 69 5.831 -2.108 -3.923 458 HD12 ILE 69 1HD1 ILE 69 5.742 -0.369 -4.194 459 HD13 ILE 69 2HD1 ILE 69 4.668 -1.455 -5.077 460 H GLN 70 H GLN 70 5.622 -2.611 -9.448 461 HA GLN 70 HA GLN 70 6.131 0.190 -10.169 462 HB3 GLN 70 2HB GLN 70 5.385 -0.600 -12.551 463 HG3 GLN 70 2HG GLN 70 8.141 -1.389 -11.647 464 HE21 GLN 70 1HE2 GLN 70 9.469 0.092 -13.493 465 HE22 GLN 70 2HE2 GLN 70 9.123 -0.487 -15.083 466 H LYS 71 H LYS 71 4.383 1.222 -9.449 467 HA LYS 71 HA LYS 71 1.742 0.068 -10.066 468 HB3 LYS 71 2HB LYS 71 1.869 -0.005 -7.727 469 HG3 LYS 71 2HG LYS 71 3.938 1.445 -7.574 470 HD3 LYS 71 2HD LYS 71 1.921 3.466 -8.143 471 HE3 LYS 71 2HE LYS 71 3.528 4.913 -6.438 472 HZ1 LYS 71 3HZ LYS 71 1.558 5.610 -5.705 473 HZ2 LYS 71 1HZ LYS 71 1.070 4.064 -5.220 474 HZ3 LYS 71 2HZ LYS 71 0.872 4.547 -6.828 475 H GLU 72 H GLU 72 3.597 2.048 -11.463 476 HA GLU 72 HA GLU 72 2.213 4.559 -11.359 477 HB3 GLU 72 2HB GLU 72 4.541 4.611 -11.906 478 HG3 GLU 72 2HG GLU 72 3.846 2.718 -14.127 479 H SER 73 H SER 73 0.164 3.063 -11.733 480 HA SER 73 HA SER 73 -0.799 3.742 -14.343 481 HB3 SER 73 2HB SER 73 -1.529 1.212 -14.653 482 HG SER 73 HG SER 73 0.075 1.072 -16.120 483 H THR 74 H THR 74 -1.812 1.026 -12.321 484 HA THR 74 HA THR 74 -4.081 2.612 -11.343 485 HB THR 74 HB THR 74 -4.722 -0.188 -12.024 486 HG1 THR 74 1HG THR 74 -5.133 0.563 -14.267 487 HG21 THR 74 3HG2 THR 74 -6.070 2.243 -11.462 488 HG22 THR 74 1HG2 THR 74 -6.766 0.648 -11.743 489 HG23 THR 74 2HG2 THR 74 -6.515 1.751 -13.095 490 H LEU 75 H LEU 75 -3.829 2.600 -9.204 491 HA LEU 75 HA LEU 75 -3.374 0.015 -7.878 492 HB3 LEU 75 2HB LEU 75 -2.305 2.154 -6.306 493 HG LEU 75 HG LEU 75 -0.129 0.941 -6.566 494 HD11 LEU 75 1HD1 LEU 75 -2.638 -0.295 -5.547 495 HD12 LEU 75 2HD1 LEU 75 -1.227 0.287 -4.666 496 HD13 LEU 75 3HD1 LEU 75 -1.153 -1.246 -5.534 497 HD21 LEU 75 3HD2 LEU 75 -1.656 -1.243 -7.917 498 HD22 LEU 75 1HD2 LEU 75 0.085 -0.974 -7.833 499 HD23 LEU 75 2HD2 LEU 75 -0.914 0.038 -8.877 500 H HIS 76 H HIS 76 -4.765 -0.432 -6.286 501 HA HIS 76 HA HIS 76 -6.441 1.767 -5.261 502 HB3 HIS 76 2HB HIS 76 -8.332 0.362 -5.239 503 HD1 HIS 76 1HD HIS 76 -8.737 -1.819 -7.487 504 HD2 HIS 76 2HD HIS 76 -6.755 1.805 -7.935 505 HE1 HIS 76 1HE HIS 76 -8.834 -1.299 -9.945 506 H LEU 77 H LEU 77 -5.685 2.212 -3.285 507 HA LEU 77 HA LEU 77 -5.432 -0.019 -1.388 508 HB3 LEU 77 2HB LEU 77 -3.193 0.524 -1.861 509 HG LEU 77 HG LEU 77 -4.064 3.353 -1.941 510 HD11 LEU 77 1HD1 LEU 77 -2.264 4.292 -0.953 511 HD12 LEU 77 2HD1 LEU 77 -1.197 2.950 -1.363 512 HD13 LEU 77 3HD1 LEU 77 -2.302 2.812 0.005 513 HD21 LEU 77 3HD2 LEU 77 -2.462 1.451 -3.500 514 HD22 LEU 77 1HD2 LEU 77 -1.812 3.090 -3.437 515 HD23 LEU 77 2HD2 LEU 77 -3.449 2.813 -4.032 516 H VAL 78 H VAL 78 -7.339 0.349 -0.343 517 HA VAL 78 HA VAL 78 -7.430 2.710 1.355 518 HB VAL 78 HB VAL 78 -9.852 1.978 -0.284 519 HG11 VAL 78 1HG1 VAL 78 -10.652 4.186 0.478 520 HG12 VAL 78 2HG1 VAL 78 -10.352 3.074 1.816 521 HG13 VAL 78 3HG1 VAL 78 -9.193 4.354 1.454 522 HG21 VAL 78 3HG2 VAL 78 -9.405 3.957 -1.641 523 HG22 VAL 78 1HG2 VAL 78 -7.897 4.224 -0.765 524 HG23 VAL 78 2HG2 VAL 78 -8.088 2.791 -1.775 525 H LEU 79 H LEU 79 -8.251 2.283 3.327 526 HA LEU 79 HA LEU 79 -9.495 -0.359 3.723 527 HB3 LEU 79 2HB LEU 79 -7.827 1.266 5.639 528 HG LEU 79 HG LEU 79 -9.417 -0.116 6.896 529 HD11 LEU 79 1HD1 LEU 79 -9.759 -1.820 5.131 530 HD12 LEU 79 2HD1 LEU 79 -9.421 -2.511 6.718 531 HD13 LEU 79 3HD1 LEU 79 -8.156 -2.463 5.489 532 HD21 LEU 79 3HD2 LEU 79 -6.972 -1.675 7.299 533 HD22 LEU 79 1HD2 LEU 79 -7.853 -0.630 8.415 534 HD23 LEU 79 2HD2 LEU 79 -6.721 0.071 7.258 535 H ARG 80 H ARG 80 -11.603 -0.189 4.070 536 HA ARG 80 HA ARG 80 -13.640 0.674 4.648 537 HB3 ARG 80 2HB ARG 80 -12.326 1.640 7.168 538 HG3 ARG 80 2HG ARG 80 -15.013 0.852 6.366 539 HD3 ARG 80 2HD ARG 80 -14.524 -1.176 7.563 540 HE ARG 80 HE ARG 80 -12.977 0.447 9.310 541 HH11 ARG 80 1HH1 ARG 80 -14.958 -2.414 9.202 542 HH12 ARG 80 2HH1 ARG 80 -14.169 -3.170 10.547 543 HH21 ARG 80 1HH2 ARG 80 -11.930 -0.538 11.081 544 HH22 ARG 80 2HH2 ARG 80 -12.447 -2.101 11.615 545 H LEU 81 H LEU 81 -13.206 2.350 2.934 546 HA LEU 81 HA LEU 81 -12.287 4.905 3.384 547 HB3 LEU 81 2HB LEU 81 -13.036 3.891 1.207 548 HG LEU 81 HG LEU 81 -15.219 4.063 0.396 549 HD11 LEU 81 1HD1 LEU 81 -15.547 3.133 3.243 550 HD12 LEU 81 2HD1 LEU 81 -14.862 2.164 1.940 551 HD13 LEU 81 3HD1 LEU 81 -16.544 2.687 1.859 552 HD21 LEU 81 3HD2 LEU 81 -15.456 6.311 1.831 553 HD22 LEU 81 1HD2 LEU 81 -16.427 5.228 2.828 554 HD23 LEU 81 2HD2 LEU 81 -16.836 5.465 1.130 555 H ARG 82 H ARG 82 -13.683 6.932 3.419 556 HA ARG 82 HA ARG 82 -16.089 6.676 5.044 557 HB3 ARG 82 2HB ARG 82 -14.518 6.864 6.795 558 HG3 ARG 82 2HG ARG 82 -13.176 9.009 5.175 559 HD3 ARG 82 2HD ARG 82 -11.583 8.909 7.235 560 HE ARG 82 HE ARG 82 -13.514 10.726 6.582 561 HH11 ARG 82 1HH1 ARG 82 -12.173 9.512 9.558 562 HH12 ARG 82 2HH1 ARG 82 -12.440 10.985 10.431 563 HH21 ARG 82 1HH2 ARG 82 -13.869 12.670 7.721 564 HH22 ARG 82 2HH2 ARG 82 -13.405 12.781 9.385 565 H GLY 83 H GLY 83 -17.436 8.520 5.006 566 HA2 GLY 83 2HA GLY 83 -17.360 9.979 2.576 567 HA3 GLY 83 3HA GLY 83 -18.467 10.258 3.913 568 H TYR 84 H TYR 84 -15.939 11.533 2.145 569 HA TYR 84 HA TYR 84 -14.896 13.207 4.282 570 HB3 TYR 84 2HB TYR 84 -13.305 12.360 2.658 571 HD1 TYR 84 1HD TYR 84 -14.628 15.127 0.599 572 HD2 TYR 84 2HD TYR 84 -13.907 10.940 0.842 573 HE1 TYR 84 1HE TYR 84 -15.106 14.912 -1.804 574 HE2 TYR 84 2HE TYR 84 -14.382 10.714 -1.561 575 HH TYR 84 HH TYR 84 -14.594 11.896 -3.515 576 H ALA 85 H ALA 85 -14.871 15.537 4.114 577 HA ALA 85 HA ALA 85 -16.376 17.011 2.266 578 HB1 ALA 85 1HB ALA 85 -18.363 16.042 3.064 579 HB2 ALA 85 2HB ALA 85 -17.854 16.181 4.747 580 HB3 ALA 85 3HB ALA 85 -18.281 17.627 3.832 581 H ASP 86 H ASP 86 -14.105 17.817 2.872 582 HA ASP 86 HA ASP 86 -14.448 20.007 4.786 583 HB3 ASP 86 2HB ASP 86 -11.894 19.507 5.316 584 H LEU 87 H LEU 87 -13.661 21.908 4.085 585 HA LEU 87 HA LEU 87 -12.230 21.900 1.520 586 HB3 LEU 87 2HB LEU 87 -13.076 24.100 1.151 587 HG LEU 87 HG LEU 87 -14.795 22.099 1.060 588 HD11 LEU 87 1HD1 LEU 87 -16.841 22.883 2.398 589 HD12 LEU 87 2HD1 LEU 87 -15.679 23.750 3.401 590 HD13 LEU 87 3HD1 LEU 87 -15.578 21.995 3.252 591 HD21 LEU 87 3HD2 LEU 87 -15.626 24.998 0.969 592 HD22 LEU 87 1HD2 LEU 87 -16.456 23.651 0.191 593 HD23 LEU 87 2HD2 LEU 87 -14.837 24.110 -0.336 594 H ARG 88 H ARG 88 -11.959 22.744 4.846 595 HA ARG 88 HA ARG 88 -9.434 24.160 4.301 596 HB3 ARG 88 2HB ARG 88 -10.861 25.655 5.449 597 HG3 ARG 88 2HG ARG 88 -11.405 23.556 7.534 598 HD3 ARG 88 2HD ARG 88 -12.935 25.103 8.461 599 HE ARG 88 HE ARG 88 -10.934 27.100 8.013 600 HH11 ARG 88 1HH1 ARG 88 -11.606 24.059 9.569 601 HH12 ARG 88 2HH1 ARG 88 -10.397 24.270 10.793 602 HH21 ARG 88 1HH2 ARG 88 -9.340 27.389 9.618 603 HH22 ARG 88 2HH2 ARG 88 -9.110 26.165 10.820 604 H GLU 89 H GLU 89 -10.997 21.905 6.564 605 HA GLU 89 HA GLU 89 -8.632 21.170 7.919 606 HB3 GLU 89 2HB GLU 89 -10.877 19.227 7.654 607 HG3 GLU 89 2HG GLU 89 -9.068 20.165 9.829 608 H ASP 90 H ASP 90 -6.941 20.458 6.752 609 HA ASP 90 HA ASP 90 -7.100 17.856 5.553 610 HB3 ASP 90 2HB ASP 90 -5.968 18.937 3.390 611 HA PRO 91 HA PRO 91 -2.871 17.691 6.703 612 HB3 PRO 91 2HB PRO 91 -2.874 15.491 6.038 613 HG3 PRO 91 2HG PRO 91 -4.040 14.811 4.145 614 HD3 PRO 91 2HD PRO 91 -5.690 16.010 5.218 615 H ASP 92 H ASP 92 -0.968 18.758 6.414 616 HA ASP 92 HA ASP 92 0.107 19.562 3.945 617 HB3 ASP 92 2HB ASP 92 -1.434 21.693 5.438 618 H ARG 93 H ARG 93 2.210 19.692 4.330 619 HA ARG 93 HA ARG 93 3.095 20.632 6.980 620 HB3 ARG 93 2HB ARG 93 5.014 19.158 6.785 621 HG3 ARG 93 2HG ARG 93 4.001 16.975 6.847 622 HD3 ARG 93 2HD ARG 93 2.181 17.370 8.439 623 HE ARG 93 HE ARG 93 4.711 18.646 8.731 624 HH11 ARG 93 1HH1 ARG 93 1.578 18.276 10.206 625 HH12 ARG 93 2HH1 ARG 93 2.152 18.598 11.809 626 HH21 ARG 93 1HH2 ARG 93 5.476 19.070 10.837 627 HH22 ARG 93 2HH2 ARG 93 4.369 19.050 12.167 628 H GLN 94 H GLN 94 4.644 20.093 3.813 629 HA GLN 94 HA GLN 94 5.125 22.855 3.346 630 HB3 GLN 94 2HB GLN 94 6.751 22.467 5.170 631 HG3 GLN 94 2HG GLN 94 8.152 20.627 3.246 632 HE21 GLN 94 1HE2 GLN 94 9.706 22.542 3.884 633 HE22 GLN 94 2HE2 GLN 94 10.727 22.196 5.235 634 H ASP 95 H ASP 95 7.021 23.002 1.595 635 HA ASP 95 HA ASP 95 7.075 20.687 -0.154 636 HB3 ASP 95 2HB ASP 95 5.017 21.693 -0.886 637 H HIS 96 H HIS 96 8.267 21.397 -2.293 638 HA HIS 96 HA HIS 96 10.565 23.048 -1.469 639 HB3 HIS 96 2HB HIS 96 10.658 20.886 -3.568 640 HD1 HIS 96 1HD HIS 96 13.156 21.208 -0.845 641 HD2 HIS 96 2HD HIS 96 12.716 22.397 -4.802 642 HE1 HIS 96 1HE HIS 96 15.441 21.963 -1.578 643 H HIS 97 H HIS 97 11.197 24.700 -2.742 644 HA HIS 97 HA HIS 97 9.734 25.082 -5.272 645 HB3 HIS 97 2HB HIS 97 10.540 27.594 -4.638 646 HD1 HIS 97 1HD HIS 97 8.519 28.832 -5.301 647 HD2 HIS 97 2HD HIS 97 7.580 25.437 -3.098 648 HE1 HIS 97 1HE HIS 97 6.008 28.780 -5.183 649 HA PRO 98 HA PRO 98 13.507 25.347 -7.492 650 HB3 PRO 98 2HB PRO 98 12.259 25.741 -9.381 651 HG3 PRO 98 2HG PRO 98 10.354 27.071 -9.304 652 HD3 PRO 98 2HD PRO 98 9.919 25.654 -7.539 653 H GLY 99 H GLY 99 15.146 27.044 -8.381 654 HA2 GLY 99 2HA GLY 99 15.507 29.121 -6.308 655 HA3 GLY 99 3HA GLY 99 16.839 28.176 -6.958 656 H SER 100 H SER 100 17.733 30.357 -7.353 657 HA SER 100 HA SER 100 16.877 31.318 -9.994 658 HB3 SER 100 2HB SER 100 16.095 32.822 -8.088 659 HG SER 100 HG SER 100 18.237 34.243 -7.752 660 H GLY 101 H GLY 101 18.608 32.748 -10.997 661 HA2 GLY 101 2HA GLY 101 21.195 31.427 -10.574 662 HA3 GLY 101 3HA GLY 101 20.703 32.279 -12.029 663 H ALA 102 H ALA 102 22.801 33.327 -11.856 664 HA ALA 102 HA ALA 102 22.572 35.858 -10.512 665 HB1 ALA 102 1HB ALA 102 24.687 33.899 -9.635 666 HB2 ALA 102 2HB ALA 102 24.722 35.625 -9.272 667 HB3 ALA 102 3HB ALA 102 23.415 34.619 -8.646 668 H GLN 103 H GLN 103 23.418 37.350 -11.807 669 HA GLN 103 HA GLN 103 25.032 36.534 -14.066 670 HB3 GLN 103 2HB GLN 103 23.208 38.136 -14.389 671 HG3 GLN 103 2HG GLN 103 24.784 39.841 -12.491 672 HE21 GLN 103 1HE2 GLN 103 23.130 41.842 -12.097 673 HE22 GLN 103 2HE2 GLN 103 22.904 42.789 -13.525 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -18.807 27.764 -4.766 2 HA2 GLY 1 2HA GLY 1 -17.886 25.648 -3.881 3 HA3 GLY 1 3HA GLY 1 -18.399 24.903 -5.388 4 H SER 2 H SER 2 -16.128 27.161 -3.937 5 HA SER 2 HA SER 2 -14.482 27.036 -6.369 6 HB3 SER 2 2HB SER 2 -14.324 28.939 -4.018 7 HG SER 2 HG SER 2 -13.029 29.230 -6.506 8 H LEU 3 H LEU 3 -14.148 24.734 -5.425 9 HA LEU 3 HA LEU 3 -12.213 24.606 -3.270 10 HB3 LEU 3 2HB LEU 3 -13.902 22.895 -3.373 11 HG LEU 3 HG LEU 3 -13.871 22.895 -6.049 12 HD11 LEU 3 1HD1 LEU 3 -11.817 20.943 -5.195 13 HD12 LEU 3 2HD1 LEU 3 -11.947 21.878 -6.683 14 HD13 LEU 3 3HD1 LEU 3 -12.937 20.437 -6.460 15 HD21 LEU 3 3HD2 LEU 3 -15.084 20.721 -5.907 16 HD22 LEU 3 1HD2 LEU 3 -15.633 21.933 -4.748 17 HD23 LEU 3 2HD2 LEU 3 -14.590 20.612 -4.217 18 H VAL 4 H VAL 4 -10.145 23.528 -3.515 19 HA VAL 4 HA VAL 4 -8.723 24.484 -5.811 20 HB VAL 4 HB VAL 4 -7.650 24.508 -3.628 21 HG11 VAL 4 1HG1 VAL 4 -6.977 21.744 -3.338 22 HG12 VAL 4 2HG1 VAL 4 -7.802 22.812 -2.203 23 HG13 VAL 4 3HG1 VAL 4 -8.730 21.915 -3.406 24 HG21 VAL 4 3HG2 VAL 4 -5.524 23.363 -4.245 25 HG22 VAL 4 1HG2 VAL 4 -6.366 22.641 -5.615 26 HG23 VAL 4 2HG2 VAL 4 -6.178 24.392 -5.518 27 HA PRO 5 HA PRO 5 -9.202 20.882 -8.333 28 HB3 PRO 5 2HB PRO 5 -8.839 22.282 -10.117 29 HG3 PRO 5 2HG PRO 5 -7.425 24.120 -9.933 30 HD3 PRO 5 2HD PRO 5 -8.743 24.444 -8.070 31 H ARG 6 H ARG 6 -7.395 19.456 -9.609 32 HA ARG 6 HA ARG 6 -6.197 17.838 -7.718 33 HB3 ARG 6 2HB ARG 6 -6.614 17.135 -10.028 34 HG3 ARG 6 2HG ARG 6 -4.515 17.763 -11.562 35 HD3 ARG 6 2HD ARG 6 -6.805 19.687 -11.470 36 HE ARG 6 HE ARG 6 -5.013 18.806 -13.503 37 HH11 ARG 6 1HH1 ARG 6 -8.272 19.886 -12.921 38 HH12 ARG 6 2HH1 ARG 6 -8.494 20.498 -14.526 39 HH21 ARG 6 1HH2 ARG 6 -5.295 19.607 -15.620 40 HH22 ARG 6 2HH2 ARG 6 -6.801 20.338 -16.061 41 H GLY 7 H GLY 7 -3.930 17.429 -7.260 42 HA2 GLY 7 2HA GLY 7 -2.505 19.924 -6.817 43 HA3 GLY 7 3HA GLY 7 -2.081 18.347 -6.164 44 H SER 8 H SER 8 -0.191 17.649 -6.872 45 HA SER 8 HA SER 8 0.698 18.465 -9.554 46 HB3 SER 8 2HB SER 8 2.985 17.929 -8.740 47 HG SER 8 HG SER 8 3.073 19.673 -7.223 48 H MET 9 H MET 9 0.501 15.688 -7.364 49 HA MET 9 HA MET 9 0.976 13.914 -9.663 50 HB3 MET 9 2HB MET 9 1.961 12.376 -8.269 51 HG3 MET 9 2HG MET 9 3.355 13.419 -6.581 52 HE1 MET 9 3HE MET 9 5.757 15.976 -8.282 53 HE2 MET 9 1HE MET 9 4.453 16.554 -7.245 54 HE3 MET 9 2HE MET 9 5.343 15.095 -6.810 55 H GLN 10 H GLN 10 -0.589 12.572 -10.338 56 HA GLN 10 HA GLN 10 -2.953 12.211 -8.624 57 HB3 GLN 10 2HB GLN 10 -4.404 12.422 -10.579 58 HG3 GLN 10 2HG GLN 10 -2.644 14.668 -9.819 59 HE21 GLN 10 1HE2 GLN 10 -1.842 15.917 -11.349 60 HE22 GLN 10 2HE2 GLN 10 -2.680 16.455 -12.761 61 H ILE 11 H ILE 11 -3.989 10.231 -8.763 62 HA ILE 11 HA ILE 11 -2.996 8.241 -10.642 63 HB ILE 11 HB ILE 11 -1.745 8.320 -8.255 64 HG13 ILE 11 2HG1 ILE 11 -1.247 6.883 -10.234 65 HG21 ILE 11 1HG2 ILE 11 -2.661 6.894 -6.655 66 HG22 ILE 11 2HG2 ILE 11 -4.039 7.847 -7.205 67 HG23 ILE 11 3HG2 ILE 11 -3.813 6.200 -7.795 68 HD11 ILE 11 3HD1 ILE 11 -1.218 4.983 -7.962 69 HD12 ILE 11 1HD1 ILE 11 0.044 5.378 -9.128 70 HD13 ILE 11 2HD1 ILE 11 -0.312 6.486 -7.802 71 H PHE 12 H PHE 12 -4.191 6.088 -10.240 72 HA PHE 12 HA PHE 12 -7.016 6.737 -9.751 73 HB3 PHE 12 2HB PHE 12 -6.883 4.239 -11.005 74 HD1 PHE 12 2HD PHE 12 -6.575 7.778 -12.157 75 HD2 PHE 12 1HD PHE 12 -8.873 4.196 -12.128 76 HE1 PHE 12 2HE PHE 12 -8.298 8.876 -13.528 77 HE2 PHE 12 1HE PHE 12 -10.599 5.288 -13.498 78 HZ PHE 12 HZ PHE 12 -10.314 7.631 -14.201 79 H VAL 13 H VAL 13 -7.954 5.945 -7.996 80 HA VAL 13 HA VAL 13 -6.943 3.430 -6.852 81 HB VAL 13 HB VAL 13 -7.751 5.838 -5.217 82 HG11 VAL 13 1HG1 VAL 13 -7.766 3.165 -4.534 83 HG12 VAL 13 2HG1 VAL 13 -6.220 3.744 -3.911 84 HG13 VAL 13 3HG1 VAL 13 -7.720 4.526 -3.414 85 HG21 VAL 13 3HG2 VAL 13 -5.699 6.594 -5.691 86 HG22 VAL 13 1HG2 VAL 13 -5.121 5.300 -4.641 87 HG23 VAL 13 2HG2 VAL 13 -5.196 5.054 -6.386 88 H LYS 14 H LYS 14 -8.477 1.985 -6.373 89 HA LYS 14 HA LYS 14 -11.275 2.909 -6.318 90 HB3 LYS 14 2HB LYS 14 -11.792 0.546 -7.147 91 HG3 LYS 14 2HG LYS 14 -10.871 1.077 -9.529 92 HD3 LYS 14 2HD LYS 14 -12.839 2.835 -8.066 93 HE3 LYS 14 2HE LYS 14 -11.819 3.528 -10.421 94 HZ1 LYS 14 3HZ LYS 14 -13.137 1.163 -11.047 95 HZ2 LYS 14 1HZ LYS 14 -12.453 2.280 -12.117 96 HZ3 LYS 14 2HZ LYS 14 -14.080 2.418 -11.676 97 H THR 15 H THR 15 -12.210 2.665 -4.409 98 HA THR 15 HA THR 15 -11.009 1.096 -2.331 99 HB THR 15 HB THR 15 -12.774 1.894 -0.899 100 HG1 THR 15 1HG THR 15 -14.020 2.621 -3.348 101 HG21 THR 15 3HG2 THR 15 -11.163 3.569 -1.154 102 HG22 THR 15 1HG2 THR 15 -12.681 4.404 -1.480 103 HG23 THR 15 2HG2 THR 15 -11.643 3.909 -2.817 104 H LEU 16 H LEU 16 -12.763 -0.187 -0.925 105 HA LEU 16 HA LEU 16 -13.467 -2.454 -2.539 106 HB3 LEU 16 2HB LEU 16 -12.629 -2.952 -0.400 107 HG LEU 16 HG LEU 16 -13.930 -0.648 0.555 108 HD11 LEU 16 1HD1 LEU 16 -15.180 -3.169 1.493 109 HD12 LEU 16 2HD1 LEU 16 -15.872 -1.558 1.307 110 HD13 LEU 16 3HD1 LEU 16 -14.844 -1.921 2.693 111 HD21 LEU 16 3HD2 LEU 16 -11.876 -0.937 1.461 112 HD22 LEU 16 1HD2 LEU 16 -12.029 -2.693 1.528 113 HD23 LEU 16 2HD2 LEU 16 -12.810 -1.692 2.752 114 H THR 17 H THR 17 -15.101 0.323 -1.302 115 HA THR 17 HA THR 17 -17.744 -0.827 -1.709 116 HB THR 17 HB THR 17 -17.251 0.725 0.212 117 HG1 THR 17 1HG THR 17 -19.398 0.393 -0.516 118 HG21 THR 17 3HG2 THR 17 -15.842 2.318 -1.033 119 HG22 THR 17 1HG2 THR 17 -17.186 3.119 -0.223 120 HG23 THR 17 2HG2 THR 17 -17.254 2.825 -1.960 121 H GLY 18 H GLY 18 -15.513 1.377 -3.262 122 HA2 GLY 18 2HA GLY 18 -15.888 1.335 -5.771 123 HA3 GLY 18 3HA GLY 18 -17.516 1.864 -5.375 124 H LYS 19 H LYS 19 -15.808 3.349 -3.106 125 HA LYS 19 HA LYS 19 -16.001 5.902 -4.278 126 HB3 LYS 19 2HB LYS 19 -14.081 5.724 -2.084 127 HG3 LYS 19 2HG LYS 19 -15.355 7.762 -2.656 128 HD3 LYS 19 2HD LYS 19 -17.517 6.209 -2.936 129 HE3 LYS 19 2HE LYS 19 -17.442 7.059 -0.079 130 HZ1 LYS 19 3HZ LYS 19 -20.037 6.468 -0.481 131 HZ2 LYS 19 1HZ LYS 19 -19.692 7.401 -1.849 132 HZ3 LYS 19 2HZ LYS 19 -19.424 8.035 -0.305 133 H THR 20 H THR 20 -14.388 7.360 -4.941 134 HA THR 20 HA THR 20 -11.849 6.090 -5.740 135 HB THR 20 HB THR 20 -12.129 8.235 -7.445 136 HG1 THR 20 1HG THR 20 -14.271 8.604 -7.032 137 HG21 THR 20 3HG2 THR 20 -11.300 6.171 -8.231 138 HG22 THR 20 1HG2 THR 20 -12.797 6.436 -9.125 139 HG23 THR 20 2HG2 THR 20 -12.768 5.312 -7.766 140 H ILE 21 H ILE 21 -10.015 7.046 -5.105 141 HA ILE 21 HA ILE 21 -10.128 9.828 -4.163 142 HB ILE 21 HB ILE 21 -8.485 9.158 -2.357 143 HG13 ILE 21 2HG1 ILE 21 -8.115 6.944 -1.801 144 HG21 ILE 21 1HG2 ILE 21 -10.716 9.738 -1.755 145 HG22 ILE 21 2HG2 ILE 21 -11.328 8.172 -2.281 146 HG23 ILE 21 3HG2 ILE 21 -10.291 8.280 -0.859 147 HD11 ILE 21 3HD1 ILE 21 -10.768 6.421 -3.015 148 HD12 ILE 21 1HD1 ILE 21 -9.579 5.119 -3.012 149 HD13 ILE 21 2HD1 ILE 21 -10.085 5.857 -1.491 150 H THR 22 H THR 22 -8.460 11.084 -4.774 151 HA THR 22 HA THR 22 -6.566 10.007 -6.661 152 HB THR 22 HB THR 22 -6.345 12.804 -5.635 153 HG1 THR 22 1HG THR 22 -8.420 11.834 -7.333 154 HG21 THR 22 3HG2 THR 22 -4.845 11.875 -7.403 155 HG22 THR 22 1HG2 THR 22 -5.762 13.292 -7.914 156 HG23 THR 22 2HG2 THR 22 -6.261 11.682 -8.435 157 H LEU 23 H LEU 23 -4.509 9.454 -6.301 158 HA LEU 23 HA LEU 23 -3.281 10.236 -3.742 159 HB3 LEU 23 2HB LEU 23 -2.034 7.911 -4.259 160 HG LEU 23 HG LEU 23 -3.618 8.661 -2.227 161 HD11 LEU 23 1HD1 LEU 23 -5.459 7.560 -3.956 162 HD12 LEU 23 2HD1 LEU 23 -5.674 7.803 -2.223 163 HD13 LEU 23 3HD1 LEU 23 -5.115 6.245 -2.831 164 HD21 LEU 23 3HD2 LEU 23 -3.392 5.896 -1.895 165 HD22 LEU 23 1HD2 LEU 23 -2.252 7.135 -1.369 166 HD23 LEU 23 2HD2 LEU 23 -2.045 6.357 -2.937 167 H GLU 24 H GLU 24 -0.910 10.207 -3.754 168 HA GLU 24 HA GLU 24 0.093 11.308 -6.247 169 HB3 GLU 24 2HB GLU 24 1.059 11.243 -3.417 170 HG3 GLU 24 2HG GLU 24 2.759 11.710 -5.832 171 H VAL 25 H VAL 25 1.919 10.548 -7.349 172 HA VAL 25 HA VAL 25 2.757 7.805 -6.677 173 HB VAL 25 HB VAL 25 2.847 8.478 -9.531 174 HG11 VAL 25 1HG1 VAL 25 1.917 6.140 -7.880 175 HG12 VAL 25 2HG1 VAL 25 1.799 6.185 -9.640 176 HG13 VAL 25 3HG1 VAL 25 3.378 6.269 -8.858 177 HG21 VAL 25 3HG2 VAL 25 0.233 8.378 -8.052 178 HG22 VAL 25 1HG2 VAL 25 0.792 9.572 -9.224 179 HG23 VAL 25 2HG2 VAL 25 0.362 7.947 -9.757 180 H GLU 26 H GLU 26 4.898 7.277 -7.064 181 HA GLU 26 HA GLU 26 6.751 8.752 -8.524 182 HB3 GLU 26 2HB GLU 26 7.770 9.437 -5.986 183 HG3 GLU 26 2HG GLU 26 6.613 11.731 -7.186 184 HA PRO 27 HA PRO 27 9.026 5.100 -7.614 185 HB3 PRO 27 2HB PRO 27 10.199 5.527 -9.544 186 HG3 PRO 27 2HG PRO 27 10.687 7.706 -10.192 187 HD3 PRO 27 2HD PRO 27 8.427 7.910 -9.786 188 H SER 28 H SER 28 10.071 8.193 -6.325 189 HA SER 28 HA SER 28 11.700 6.853 -4.294 190 HB3 SER 28 2HB SER 28 12.379 8.988 -5.690 191 HG SER 28 HG SER 28 11.857 10.714 -3.866 192 H ASP 29 H ASP 29 8.610 8.145 -4.737 193 HA ASP 29 HA ASP 29 8.228 8.774 -1.912 194 HB3 ASP 29 2HB ASP 29 6.021 9.589 -2.587 195 H THR 30 H THR 30 7.933 7.043 -0.661 196 HA THR 30 HA THR 30 6.625 4.664 -1.654 197 HB THR 30 HB THR 30 8.569 4.527 -0.108 198 HG1 THR 30 1HG THR 30 6.866 2.867 -0.258 199 HG21 THR 30 3HG2 THR 30 7.010 6.357 1.414 200 HG22 THR 30 1HG2 THR 30 8.630 5.747 1.754 201 HG23 THR 30 2HG2 THR 30 7.217 4.888 2.367 202 H ILE 31 H ILE 31 5.009 3.610 -0.031 203 HA ILE 31 HA ILE 31 2.617 4.988 -0.128 204 HB ILE 31 HB ILE 31 3.317 2.878 1.915 205 HG13 ILE 31 2HG1 ILE 31 2.294 1.325 0.185 206 HG21 ILE 31 1HG2 ILE 31 0.785 4.114 0.972 207 HG22 ILE 31 2HG2 ILE 31 0.776 2.398 1.376 208 HG23 ILE 31 3HG2 ILE 31 1.254 3.586 2.589 209 HD11 ILE 31 3HD1 ILE 31 1.869 1.926 -1.938 210 HD12 ILE 31 1HD1 ILE 31 1.579 3.502 -1.201 211 HD13 ILE 31 2HD1 ILE 31 3.133 3.156 -1.961 212 H GLU 32 H GLU 32 5.183 5.263 2.158 213 HA GLU 32 HA GLU 32 3.746 6.298 4.354 214 HB3 GLU 32 2HB GLU 32 5.927 7.181 5.104 215 HG3 GLU 32 2HG GLU 32 5.862 4.391 4.024 216 H ASN 33 H ASN 33 5.132 7.797 1.487 217 HA ASN 33 HA ASN 33 4.558 10.475 2.387 218 HB3 ASN 33 2HB ASN 33 5.127 10.934 -0.134 219 HD21 ASN 33 1HD2 ASN 33 6.022 12.369 1.544 220 HD22 ASN 33 2HD2 ASN 33 7.672 12.149 2.006 221 H VAL 34 H VAL 34 3.300 8.325 -0.155 222 HA VAL 34 HA VAL 34 1.316 9.977 -1.164 223 HB VAL 34 HB VAL 34 0.316 8.077 -2.128 224 HG11 VAL 34 1HG1 VAL 34 2.072 7.367 -3.334 225 HG12 VAL 34 2HG1 VAL 34 2.995 8.499 -2.342 226 HG13 VAL 34 3HG1 VAL 34 2.942 6.789 -1.913 227 HG21 VAL 34 3HG2 VAL 34 0.902 5.751 -1.255 228 HG22 VAL 34 1HG2 VAL 34 1.471 6.570 0.199 229 HG23 VAL 34 2HG2 VAL 34 -0.217 6.714 -0.290 230 H LYS 35 H LYS 35 1.385 8.114 1.782 231 HA LYS 35 HA LYS 35 -1.283 7.884 2.421 232 HB3 LYS 35 2HB LYS 35 0.871 7.172 3.719 233 HG3 LYS 35 2HG LYS 35 1.258 9.757 4.195 234 HD3 LYS 35 2HD LYS 35 -0.998 9.117 5.820 235 HE3 LYS 35 2HE LYS 35 1.585 9.215 7.229 236 HZ1 LYS 35 3HZ LYS 35 -0.692 10.540 8.544 237 HZ2 LYS 35 1HZ LYS 35 0.381 11.449 7.602 238 HZ3 LYS 35 2HZ LYS 35 0.951 10.592 8.943 239 H ALA 36 H ALA 36 0.682 10.738 2.315 240 HA ALA 36 HA ALA 36 -1.069 12.381 3.881 241 HB1 ALA 36 1HB ALA 36 1.510 12.630 2.730 242 HB2 ALA 36 2HB ALA 36 0.521 13.968 2.144 243 HB3 ALA 36 3HB ALA 36 0.709 13.704 3.877 244 H LYS 37 H LYS 37 -0.579 11.784 0.434 245 HA LYS 37 HA LYS 37 -2.373 13.786 -0.475 246 HB3 LYS 37 2HB LYS 37 -2.361 11.982 -2.505 247 HG3 LYS 37 2HG LYS 37 0.186 13.197 -2.634 248 HD3 LYS 37 2HD LYS 37 -1.929 12.910 -4.259 249 HE3 LYS 37 2HE LYS 37 -2.139 15.627 -3.036 250 HZ1 LYS 37 3HZ LYS 37 -1.713 15.702 -5.564 251 HZ2 LYS 37 1HZ LYS 37 -3.014 16.576 -4.927 252 HZ3 LYS 37 2HZ LYS 37 -3.287 15.094 -5.695 253 H ILE 38 H ILE 38 -2.726 10.352 0.265 254 HA ILE 38 HA ILE 38 -5.407 10.140 -0.662 255 HB ILE 38 HB ILE 38 -3.861 8.198 -0.342 256 HG13 ILE 38 2HG1 ILE 38 -5.616 6.751 -0.077 257 HG21 ILE 38 1HG2 ILE 38 -4.464 8.691 2.570 258 HG22 ILE 38 2HG2 ILE 38 -3.709 7.231 1.931 259 HG23 ILE 38 3HG2 ILE 38 -2.888 8.785 1.782 260 HD11 ILE 38 3HD1 ILE 38 -6.409 8.398 2.286 261 HD12 ILE 38 1HD1 ILE 38 -7.542 7.273 1.539 262 HD13 ILE 38 2HD1 ILE 38 -6.019 6.681 2.203 263 H GLN 39 H GLN 39 -3.935 11.078 2.362 264 HA GLN 39 HA GLN 39 -6.189 10.814 4.029 265 HB3 GLN 39 2HB GLN 39 -4.105 12.947 4.404 266 HG3 GLN 39 2HG GLN 39 -4.230 12.070 6.772 267 HE21 GLN 39 1HE2 GLN 39 -4.448 14.451 5.608 268 HE22 GLN 39 2HE2 GLN 39 -5.879 15.273 6.117 269 H ASP 40 H ASP 40 -5.230 13.259 1.745 270 HA ASP 40 HA ASP 40 -7.039 15.269 2.684 271 HB3 ASP 40 2HB ASP 40 -5.483 14.949 0.116 272 H LYS 41 H LYS 41 -7.257 12.542 0.568 273 HA LYS 41 HA LYS 41 -9.628 13.414 -0.799 274 HB3 LYS 41 2HB LYS 41 -9.590 11.329 -1.898 275 HG3 LYS 41 2HG LYS 41 -7.265 10.868 -2.500 276 HD3 LYS 41 2HD LYS 41 -8.510 13.493 -2.549 277 HE3 LYS 41 2HE LYS 41 -5.525 13.380 -2.961 278 HZ1 LYS 41 3HZ LYS 41 -6.639 15.954 -2.677 279 HZ2 LYS 41 1HZ LYS 41 -7.455 15.131 -3.909 280 HZ3 LYS 41 2HZ LYS 41 -5.775 15.312 -3.982 281 H GLU 42 H GLU 42 -8.977 10.883 1.630 282 HA GLU 42 HA GLU 42 -11.763 11.185 2.537 283 HB3 GLU 42 2HB GLU 42 -11.807 9.089 1.510 284 HG3 GLU 42 2HG GLU 42 -9.175 8.375 2.783 285 H GLY 43 H GLY 43 -8.422 10.486 3.383 286 HA2 GLY 43 2HA GLY 43 -7.452 11.399 5.373 287 HA3 GLY 43 3HA GLY 43 -9.032 11.312 6.139 288 H ILE 44 H ILE 44 -7.945 8.615 4.272 289 HA ILE 44 HA ILE 44 -7.983 6.941 6.626 290 HB ILE 44 HB ILE 44 -7.450 6.252 3.733 291 HG13 ILE 44 2HG1 ILE 44 -9.723 5.339 3.769 292 HG21 ILE 44 1HG2 ILE 44 -7.885 4.448 6.111 293 HG22 ILE 44 2HG2 ILE 44 -7.789 3.921 4.432 294 HG23 ILE 44 3HG2 ILE 44 -6.382 4.647 5.209 295 HD11 ILE 44 3HD1 ILE 44 -9.497 5.603 6.588 296 HD12 ILE 44 1HD1 ILE 44 -10.836 6.605 6.029 297 HD13 ILE 44 2HD1 ILE 44 -10.800 4.884 5.641 298 HA PRO 45 HA PRO 45 -3.596 7.369 7.279 299 HB3 PRO 45 2HB PRO 45 -4.082 7.308 9.524 300 HG3 PRO 45 2HG PRO 45 -5.915 6.121 10.323 301 HD3 PRO 45 2HD PRO 45 -6.928 7.335 8.645 302 HA PRO 46 HA PRO 46 -1.894 3.903 5.155 303 HB3 PRO 46 2HB PRO 46 -0.011 5.185 4.862 304 HG3 PRO 46 2HG PRO 46 0.701 6.664 6.510 305 HD3 PRO 46 2HD PRO 46 -1.516 7.275 6.360 306 H ASP 47 H ASP 47 -1.088 4.188 8.604 307 HA ASP 47 HA ASP 47 -0.247 1.553 9.018 308 HB3 ASP 47 2HB ASP 47 -0.933 2.003 11.430 309 H GLN 48 H GLN 48 -3.437 2.941 8.796 310 HA GLN 48 HA GLN 48 -4.624 0.340 9.484 311 HB3 GLN 48 2HB GLN 48 -6.580 1.435 10.137 312 HG3 GLN 48 2HG GLN 48 -6.014 3.217 11.625 313 HE21 GLN 48 1HE2 GLN 48 -3.608 3.285 12.934 314 HE22 GLN 48 2HE2 GLN 48 -3.201 1.699 13.482 315 H GLN 49 H GLN 49 -3.490 1.656 6.858 316 HA GLN 49 HA GLN 49 -5.815 1.038 5.163 317 HB3 GLN 49 2HB GLN 49 -3.376 2.741 4.667 318 HG3 GLN 49 2HG GLN 49 -5.550 2.124 2.682 319 HE21 GLN 49 1HE2 GLN 49 -2.219 2.733 1.997 320 HE22 GLN 49 2HE2 GLN 49 -2.431 4.293 1.286 321 H ARG 50 H ARG 50 -5.606 -0.364 3.418 322 HA ARG 50 HA ARG 50 -3.345 -2.216 3.630 323 HB3 ARG 50 2HB ARG 50 -5.730 -3.039 3.795 324 HG3 ARG 50 2HG ARG 50 -5.719 -2.488 0.836 325 HD3 ARG 50 2HD ARG 50 -7.788 -3.621 0.711 326 HE ARG 50 HE ARG 50 -5.617 -5.089 1.381 327 HH11 ARG 50 1HH1 ARG 50 -9.010 -5.364 2.109 328 HH12 ARG 50 2HH1 ARG 50 -8.979 -7.092 2.224 329 HH21 ARG 50 1HH2 ARG 50 -5.563 -7.365 1.530 330 HH22 ARG 50 2HH2 ARG 50 -7.018 -8.229 1.895 331 H LEU 51 H LEU 51 -2.873 -3.326 1.402 332 HA LEU 51 HA LEU 51 -2.679 -1.248 -0.673 333 HB3 LEU 51 2HB LEU 51 -0.460 -2.882 -1.013 334 HG LEU 51 HG LEU 51 -0.651 -0.297 -1.131 335 HD11 LEU 51 1HD1 LEU 51 0.794 0.262 1.172 336 HD12 LEU 51 2HD1 LEU 51 -0.535 -0.760 1.719 337 HD13 LEU 51 3HD1 LEU 51 -0.874 0.725 0.829 338 HD21 LEU 51 3HD2 LEU 51 1.545 -0.327 -1.581 339 HD22 LEU 51 1HD2 LEU 51 1.427 -2.055 -1.245 340 HD23 LEU 51 2HD2 LEU 51 1.966 -0.945 0.017 341 H ILE 52 H ILE 52 -3.046 -1.889 -2.741 342 HA ILE 52 HA ILE 52 -3.408 -4.764 -3.242 343 HB ILE 52 HB ILE 52 -5.253 -2.694 -4.409 344 HG13 ILE 52 2HG1 ILE 52 -6.897 -3.258 -2.721 345 HG21 ILE 52 1HG2 ILE 52 -5.236 -5.691 -4.253 346 HG22 ILE 52 2HG2 ILE 52 -6.701 -4.782 -4.619 347 HG23 ILE 52 3HG2 ILE 52 -5.300 -4.662 -5.683 348 HD11 ILE 52 3HD1 ILE 52 -5.725 -4.495 -0.642 349 HD12 ILE 52 1HD1 ILE 52 -6.730 -5.312 -1.839 350 HD13 ILE 52 2HD1 ILE 52 -4.972 -5.351 -1.987 351 H PHE 53 H PHE 53 -2.031 -5.350 -4.772 352 HA PHE 53 HA PHE 53 -1.528 -3.488 -7.000 353 HB3 PHE 53 2HB PHE 53 0.395 -5.345 -5.597 354 HD1 PHE 53 2HD PHE 53 0.042 -3.072 -8.524 355 HD2 PHE 53 1HD PHE 53 2.262 -6.186 -6.656 356 HE1 PHE 53 2HE PHE 53 1.448 -3.271 -10.534 357 HE2 PHE 53 1HE PHE 53 3.672 -6.389 -8.662 358 HZ PHE 53 HZ PHE 53 3.265 -4.932 -10.604 359 H ALA 54 H ALA 54 -2.527 -4.245 -8.744 360 HA ALA 54 HA ALA 54 -3.389 -5.666 -10.305 361 HB1 ALA 54 1HB ALA 54 -1.850 -7.423 -11.087 362 HB2 ALA 54 2HB ALA 54 -1.047 -5.868 -10.877 363 HB3 ALA 54 3HB ALA 54 -0.835 -7.139 -9.673 364 H GLY 55 H GLY 55 -4.220 -6.107 -7.543 365 HA2 GLY 55 2HA GLY 55 -5.826 -7.595 -6.712 366 HA3 GLY 55 3HA GLY 55 -5.323 -8.774 -7.915 367 H LYS 56 H LYS 56 -2.931 -7.206 -5.961 368 HA LYS 56 HA LYS 56 -2.666 -9.657 -4.344 369 HB3 LYS 56 2HB LYS 56 -0.327 -7.962 -5.200 370 HG3 LYS 56 2HG LYS 56 -0.402 -9.948 -3.376 371 HD3 LYS 56 2HD LYS 56 -1.045 -11.508 -5.311 372 HE3 LYS 56 2HE LYS 56 1.886 -11.093 -5.894 373 HZ1 LYS 56 3HZ LYS 56 0.759 -13.454 -6.008 374 HZ2 LYS 56 1HZ LYS 56 1.865 -12.944 -7.181 375 HZ3 LYS 56 2HZ LYS 56 0.205 -12.867 -7.494 376 H GLN 57 H GLN 57 -2.383 -9.405 -2.193 377 HA GLN 57 HA GLN 57 -2.639 -6.713 -1.130 378 HB3 GLN 57 2HB GLN 57 -2.804 -9.449 0.128 379 HG3 GLN 57 2HG GLN 57 -3.204 -6.803 1.504 380 HE21 GLN 57 1HE2 GLN 57 -3.418 -7.116 3.858 381 HE22 GLN 57 2HE2 GLN 57 -4.357 -8.453 4.420 382 H LEU 58 H LEU 58 -1.104 -5.624 -0.029 383 HA LEU 58 HA LEU 58 1.448 -7.007 0.476 384 HB3 LEU 58 2HB LEU 58 2.601 -4.910 -0.041 385 HG LEU 58 HG LEU 58 1.867 -6.585 -1.949 386 HD11 LEU 58 1HD1 LEU 58 0.178 -5.974 -3.253 387 HD12 LEU 58 2HD1 LEU 58 0.803 -4.333 -3.405 388 HD13 LEU 58 3HD1 LEU 58 -0.228 -4.760 -2.041 389 HD21 LEU 58 3HD2 LEU 58 3.702 -4.611 -1.716 390 HD22 LEU 58 1HD2 LEU 58 2.757 -4.023 -3.084 391 HD23 LEU 58 2HD2 LEU 58 3.505 -5.619 -3.151 392 H GLU 59 H GLU 59 2.839 -5.277 1.896 393 HA GLU 59 HA GLU 59 1.280 -3.969 3.928 394 HB3 GLU 59 2HB GLU 59 2.996 -6.266 4.847 395 HG3 GLU 59 2HG GLU 59 0.718 -4.825 6.185 396 H ASP 60 H ASP 60 4.448 -5.293 3.050 397 HA ASP 60 HA ASP 60 6.080 -3.741 4.646 398 HB3 ASP 60 2HB ASP 60 6.742 -4.426 1.783 399 H GLY 61 H GLY 61 7.174 -1.771 4.362 400 HA2 GLY 61 2HA GLY 61 5.815 0.074 2.497 401 HA3 GLY 61 3HA GLY 61 6.456 0.549 4.063 402 H ARG 62 H ARG 62 7.262 -0.318 0.769 403 HA ARG 62 HA ARG 62 9.886 0.956 1.154 404 HB3 ARG 62 2HB ARG 62 10.364 -0.775 -0.898 405 HG3 ARG 62 2HG ARG 62 11.451 -2.271 0.769 406 HD3 ARG 62 2HD ARG 62 11.892 0.632 0.526 407 HE ARG 62 HE ARG 62 12.635 -0.625 2.953 408 HH11 ARG 62 1HH1 ARG 62 13.832 1.512 0.480 409 HH12 ARG 62 2HH1 ARG 62 14.943 2.323 1.535 410 HH21 ARG 62 1HH2 ARG 62 14.092 0.435 4.353 411 HH22 ARG 62 2HH2 ARG 62 15.089 1.709 3.738 412 H THR 63 H THR 63 10.864 1.604 -1.008 413 HA THR 63 HA THR 63 8.932 3.211 -2.404 414 HB THR 63 HB THR 63 10.808 4.130 -3.630 415 HG1 THR 63 1HG THR 63 12.945 3.226 -3.142 416 HG21 THR 63 3HG2 THR 63 10.388 4.621 -1.104 417 HG22 THR 63 1HG2 THR 63 11.861 5.212 -1.872 418 HG23 THR 63 2HG2 THR 63 11.909 3.760 -0.872 419 H LEU 64 H LEU 64 8.945 3.302 -4.827 420 HA LEU 64 HA LEU 64 8.281 0.733 -5.869 421 HB3 LEU 64 2HB LEU 64 7.515 1.839 -7.755 422 HG LEU 64 HG LEU 64 7.451 4.123 -5.786 423 HD11 LEU 64 1HD1 LEU 64 6.806 4.716 -8.064 424 HD12 LEU 64 2HD1 LEU 64 5.420 4.751 -6.974 425 HD13 LEU 64 3HD1 LEU 64 5.636 3.396 -8.081 426 HD21 LEU 64 3HD2 LEU 64 6.487 2.476 -4.521 427 HD22 LEU 64 1HD2 LEU 64 5.933 1.566 -5.927 428 HD23 LEU 64 2HD2 LEU 64 5.083 3.031 -5.434 429 H SER 65 H SER 65 11.035 2.889 -6.165 430 HA SER 65 HA SER 65 12.296 1.458 -8.286 431 HB3 SER 65 2HB SER 65 13.670 3.256 -6.284 432 HG SER 65 HG SER 65 14.327 3.442 -8.919 433 H GLU 66 H GLU 66 12.460 1.343 -4.775 434 HA GLU 66 HA GLU 66 14.682 -0.462 -4.694 435 HB3 GLU 66 2HB GLU 66 13.882 -0.750 -2.268 436 HG3 GLU 66 2HG GLU 66 14.290 1.864 -1.868 437 H TYR 67 H TYR 67 11.171 -0.781 -4.463 438 HA TYR 67 HA TYR 67 11.347 -3.655 -4.116 439 HB3 TYR 67 2HB TYR 67 8.699 -2.599 -4.735 440 HD1 TYR 67 1HD TYR 67 9.753 -5.338 -4.314 441 HD2 TYR 67 2HD TYR 67 8.300 -2.476 -1.521 442 HE1 TYR 67 1HE TYR 67 9.127 -7.158 -2.783 443 HE2 TYR 67 2HE TYR 67 7.671 -4.289 0.018 444 HH TYR 67 HH TYR 67 7.591 -7.557 -0.927 445 H ASN 68 H ASN 68 11.501 -1.557 -6.690 446 HA ASN 68 HA ASN 68 11.216 -1.737 -8.947 447 HB3 ASN 68 2HB ASN 68 11.461 -4.703 -8.789 448 HD21 ASN 68 1HD2 ASN 68 14.116 -2.685 -9.571 449 HD22 ASN 68 2HD2 ASN 68 13.999 -2.819 -11.290 450 H ILE 69 H ILE 69 8.810 -1.927 -7.318 451 HA ILE 69 HA ILE 69 7.125 -3.828 -8.743 452 HB ILE 69 HB ILE 69 5.324 -3.024 -7.239 453 HG13 ILE 69 2HG1 ILE 69 6.221 -0.729 -6.928 454 HG21 ILE 69 1HG2 ILE 69 7.017 -3.640 -5.106 455 HG22 ILE 69 2HG2 ILE 69 6.041 -4.761 -6.053 456 HG23 ILE 69 3HG2 ILE 69 7.715 -4.450 -6.508 457 HD11 ILE 69 3HD1 ILE 69 6.216 -1.709 -4.152 458 HD12 ILE 69 1HD1 ILE 69 5.294 -0.407 -4.905 459 HD13 ILE 69 2HD1 ILE 69 4.788 -2.083 -5.117 460 H GLN 70 H GLN 70 5.076 -3.115 -9.688 461 HA GLN 70 HA GLN 70 5.450 -0.620 -11.169 462 HB3 GLN 70 2HB GLN 70 3.686 -1.498 -12.663 463 HG3 GLN 70 2HG GLN 70 5.465 -3.843 -12.388 464 HE21 GLN 70 1HE2 GLN 70 4.506 -4.893 -14.021 465 HE22 GLN 70 2HE2 GLN 70 4.343 -4.279 -15.627 466 H LYS 71 H LYS 71 4.845 0.750 -9.402 467 HA LYS 71 HA LYS 71 1.989 0.671 -8.705 468 HB3 LYS 71 2HB LYS 71 4.272 2.122 -7.351 469 HG3 LYS 71 2HG LYS 71 2.326 1.958 -5.489 470 HD3 LYS 71 2HD LYS 71 1.880 4.376 -6.931 471 HE3 LYS 71 2HE LYS 71 3.220 3.497 -4.431 472 HZ1 LYS 71 3HZ LYS 71 3.439 6.225 -4.418 473 HZ2 LYS 71 1HZ LYS 71 4.075 5.772 -5.919 474 HZ3 LYS 71 2HZ LYS 71 4.715 5.118 -4.498 475 H GLU 72 H GLU 72 4.141 2.216 -10.728 476 HA GLU 72 HA GLU 72 2.880 4.827 -10.633 477 HB3 GLU 72 2HB GLU 72 5.289 4.673 -11.046 478 HG3 GLU 72 2HG GLU 72 4.861 3.679 -13.808 479 H SER 73 H SER 73 0.965 2.987 -11.152 480 HA SER 73 HA SER 73 0.098 3.777 -13.803 481 HB3 SER 73 2HB SER 73 -0.568 1.315 -14.258 482 HG SER 73 HG SER 73 1.157 1.216 -15.500 483 H THR 74 H THR 74 -1.040 1.058 -11.861 484 HA THR 74 HA THR 74 -3.354 2.646 -10.998 485 HB THR 74 HB THR 74 -4.091 -0.095 -11.654 486 HG1 THR 74 1HG THR 74 -3.799 -0.011 -13.817 487 HG21 THR 74 3HG2 THR 74 -5.298 2.312 -12.925 488 HG22 THR 74 1HG2 THR 74 -5.459 2.117 -11.180 489 HG23 THR 74 2HG2 THR 74 -6.078 0.874 -12.268 490 H LEU 75 H LEU 75 -3.186 2.616 -8.848 491 HA LEU 75 HA LEU 75 -2.880 0.009 -7.527 492 HB3 LEU 75 2HB LEU 75 -1.785 2.119 -5.915 493 HG LEU 75 HG LEU 75 0.333 0.774 -6.054 494 HD11 LEU 75 1HD1 LEU 75 -0.990 -1.340 -5.064 495 HD12 LEU 75 2HD1 LEU 75 -2.276 -0.134 -5.018 496 HD13 LEU 75 3HD1 LEU 75 -0.756 0.165 -4.175 497 HD21 LEU 75 3HD2 LEU 75 -1.181 -1.452 -7.282 498 HD22 LEU 75 1HD2 LEU 75 0.540 -1.073 -7.350 499 HD23 LEU 75 2HD2 LEU 75 -0.597 -0.187 -8.365 500 H HIS 76 H HIS 76 -4.282 -0.371 -5.909 501 HA HIS 76 HA HIS 76 -5.940 1.883 -4.982 502 HB3 HIS 76 2HB HIS 76 -7.876 0.637 -5.151 503 HD1 HIS 76 1HD HIS 76 -6.356 1.785 -7.583 504 HD2 HIS 76 2HD HIS 76 -7.763 -2.115 -7.318 505 HE1 HIS 76 1HE HIS 76 -6.609 0.998 -9.958 506 H LEU 77 H LEU 77 -5.337 2.329 -2.964 507 HA LEU 77 HA LEU 77 -5.056 0.087 -1.078 508 HB3 LEU 77 2HB LEU 77 -2.887 0.676 -1.029 509 HG LEU 77 HG LEU 77 -3.690 3.330 -2.134 510 HD11 LEU 77 1HD1 LEU 77 -1.067 3.721 -1.792 511 HD12 LEU 77 2HD1 LEU 77 -1.414 2.806 -0.326 512 HD13 LEU 77 3HD1 LEU 77 -2.283 4.303 -0.657 513 HD21 LEU 77 3HD2 LEU 77 -2.436 2.719 -3.930 514 HD22 LEU 77 1HD2 LEU 77 -2.873 1.114 -3.345 515 HD23 LEU 77 2HD2 LEU 77 -1.291 1.791 -2.959 516 H VAL 78 H VAL 78 -7.085 0.285 -0.201 517 HA VAL 78 HA VAL 78 -7.460 2.546 1.588 518 HB VAL 78 HB VAL 78 -9.735 1.791 -0.232 519 HG11 VAL 78 1HG1 VAL 78 -10.265 4.276 0.486 520 HG12 VAL 78 2HG1 VAL 78 -10.671 2.910 1.528 521 HG13 VAL 78 3HG1 VAL 78 -9.217 3.859 1.841 522 HG21 VAL 78 3HG2 VAL 78 -7.780 4.059 -0.617 523 HG22 VAL 78 1HG2 VAL 78 -7.914 2.624 -1.634 524 HG23 VAL 78 2HG2 VAL 78 -9.243 3.782 -1.563 525 H LEU 79 H LEU 79 -8.179 1.848 3.492 526 HA LEU 79 HA LEU 79 -9.503 -0.782 3.600 527 HB3 LEU 79 2HB LEU 79 -8.108 0.454 5.938 528 HG LEU 79 HG LEU 79 -9.289 -1.609 6.430 529 HD11 LEU 79 1HD1 LEU 79 -9.422 -2.652 4.300 530 HD12 LEU 79 2HD1 LEU 79 -8.495 -3.726 5.346 531 HD13 LEU 79 3HD1 LEU 79 -7.666 -2.725 4.154 532 HD21 LEU 79 3HD2 LEU 79 -7.092 -3.025 6.909 533 HD22 LEU 79 1HD2 LEU 79 -7.491 -1.568 7.819 534 HD23 LEU 79 2HD2 LEU 79 -6.327 -1.489 6.496 535 H ARG 80 H ARG 80 -11.609 -0.587 3.949 536 HA ARG 80 HA ARG 80 -13.624 0.203 4.666 537 HB3 ARG 80 2HB ARG 80 -11.997 0.803 7.142 538 HG3 ARG 80 2HG ARG 80 -14.759 -0.050 7.490 539 HD3 ARG 80 2HD ARG 80 -14.740 1.726 9.155 540 HE ARG 80 HE ARG 80 -12.142 0.608 9.676 541 HH11 ARG 80 1HH1 ARG 80 -15.567 -0.010 9.580 542 HH12 ARG 80 2HH1 ARG 80 -15.493 -1.333 10.696 543 HH21 ARG 80 1HH2 ARG 80 -12.030 -1.133 11.146 544 HH22 ARG 80 2HH2 ARG 80 -13.480 -1.971 11.586 545 H LEU 81 H LEU 81 -13.340 1.947 3.037 546 HA LEU 81 HA LEU 81 -12.373 4.480 3.519 547 HB3 LEU 81 2HB LEU 81 -13.284 3.552 1.364 548 HG LEU 81 HG LEU 81 -15.518 3.766 0.720 549 HD11 LEU 81 1HD1 LEU 81 -15.065 1.808 2.162 550 HD12 LEU 81 2HD1 LEU 81 -16.745 2.341 2.220 551 HD13 LEU 81 3HD1 LEU 81 -15.649 2.730 3.546 552 HD21 LEU 81 3HD2 LEU 81 -15.631 5.957 2.262 553 HD22 LEU 81 1HD2 LEU 81 -16.547 4.838 3.272 554 HD23 LEU 81 2HD2 LEU 81 -17.063 5.154 1.615 555 H ARG 82 H ARG 82 -13.755 6.508 3.731 556 HA ARG 82 HA ARG 82 -16.210 6.499 5.080 557 HB3 ARG 82 2HB ARG 82 -14.166 7.314 7.063 558 HG3 ARG 82 2HG ARG 82 -16.719 7.291 7.365 559 HD3 ARG 82 2HD ARG 82 -16.241 4.446 8.163 560 HE ARG 82 HE ARG 82 -18.435 6.120 8.409 561 HH11 ARG 82 1HH1 ARG 82 -17.726 2.973 7.097 562 HH12 ARG 82 2HH1 ARG 82 -19.317 2.352 7.382 563 HH21 ARG 82 1HH2 ARG 82 -20.535 5.312 8.787 564 HH22 ARG 82 2HH2 ARG 82 -20.915 3.683 8.341 565 H GLY 83 H GLY 83 -17.040 8.546 5.243 566 HA2 GLY 83 2HA GLY 83 -16.731 10.931 5.555 567 HA3 GLY 83 3HA GLY 83 -15.184 10.782 4.735 568 H TYR 84 H TYR 84 -16.945 12.708 3.941 569 HA TYR 84 HA TYR 84 -18.012 11.648 1.407 570 HB3 TYR 84 2HB TYR 84 -19.835 12.483 2.706 571 HD1 TYR 84 2HD TYR 84 -19.111 12.951 5.044 572 HD2 TYR 84 1HD TYR 84 -18.853 15.891 1.980 573 HE1 TYR 84 2HE TYR 84 -18.900 14.706 6.754 574 HE2 TYR 84 1HE TYR 84 -18.641 17.655 3.681 575 HH TYR 84 HH TYR 84 -19.014 16.960 7.103 576 H ALA 85 H ALA 85 -18.319 13.758 -0.125 577 HA ALA 85 HA ALA 85 -15.613 14.565 -0.715 578 HB1 ALA 85 1HB ALA 85 -17.129 13.901 -2.513 579 HB2 ALA 85 2HB ALA 85 -18.192 15.252 -2.120 580 HB3 ALA 85 3HB ALA 85 -16.566 15.559 -2.728 581 H ASP 86 H ASP 86 -14.673 16.358 -0.015 582 HA ASP 86 HA ASP 86 -15.895 18.891 0.042 583 HB3 ASP 86 2HB ASP 86 -15.346 17.939 2.835 584 H LEU 87 H LEU 87 -14.267 20.217 -0.368 585 HA LEU 87 HA LEU 87 -11.597 19.568 -0.382 586 HB3 LEU 87 2HB LEU 87 -12.079 21.467 -1.575 587 HG LEU 87 HG LEU 87 -14.240 22.111 -0.720 588 HD11 LEU 87 1HD1 LEU 87 -12.686 22.748 1.753 589 HD12 LEU 87 2HD1 LEU 87 -14.190 21.844 1.575 590 HD13 LEU 87 3HD1 LEU 87 -14.191 23.599 1.400 591 HD21 LEU 87 3HD2 LEU 87 -13.265 24.683 -0.166 592 HD22 LEU 87 1HD2 LEU 87 -13.829 24.052 -1.714 593 HD23 LEU 87 2HD2 LEU 87 -12.118 23.956 -1.294 594 H ARG 88 H ARG 88 -9.809 20.391 0.935 595 HA ARG 88 HA ARG 88 -10.133 21.406 3.530 596 HB3 ARG 88 2HB ARG 88 -9.830 18.406 3.346 597 HG3 ARG 88 2HG ARG 88 -8.311 19.367 5.063 598 HD3 ARG 88 2HD ARG 88 -10.673 20.026 6.735 599 HE ARG 88 HE ARG 88 -8.381 21.708 6.880 600 HH11 ARG 88 1HH1 ARG 88 -9.592 18.562 7.752 601 HH12 ARG 88 2HH1 ARG 88 -8.530 18.386 9.110 602 HH21 ARG 88 1HH2 ARG 88 -6.978 21.487 8.666 603 HH22 ARG 88 2HH2 ARG 88 -7.045 20.052 9.629 604 H GLU 89 H GLU 89 -8.187 21.972 4.417 605 HA GLU 89 HA GLU 89 -5.941 22.124 2.779 606 HB3 GLU 89 2HB GLU 89 -4.716 22.797 4.824 607 HG3 GLU 89 2HG GLU 89 -7.445 24.015 5.002 608 H ASP 90 H ASP 90 -5.121 20.277 1.947 609 HA ASP 90 HA ASP 90 -4.927 17.792 3.129 610 HB3 ASP 90 2HB ASP 90 -4.459 17.806 0.850 611 HA PRO 91 HA PRO 91 -1.772 17.925 6.171 612 HB3 PRO 91 2HB PRO 91 -2.166 15.691 6.531 613 HG3 PRO 91 2HG PRO 91 -2.639 14.256 4.763 614 HD3 PRO 91 2HD PRO 91 -4.139 15.947 4.313 615 H ASP 92 H ASP 92 -0.691 19.681 4.889 616 HA ASP 92 HA ASP 92 2.061 19.196 4.674 617 HB3 ASP 92 2HB ASP 92 1.865 18.097 2.638 618 H ARG 93 H ARG 93 3.223 21.089 4.566 619 HA ARG 93 HA ARG 93 1.628 23.531 4.711 620 HB3 ARG 93 2HB ARG 93 3.545 24.548 5.748 621 HG3 ARG 93 2HG ARG 93 3.194 21.738 6.768 622 HD3 ARG 93 2HD ARG 93 3.913 23.099 8.934 623 HE ARG 93 HE ARG 93 5.196 21.205 7.479 624 HH11 ARG 93 1HH1 ARG 93 6.234 24.081 9.143 625 HH12 ARG 93 2HH1 ARG 93 7.809 23.459 9.508 626 HH21 ARG 93 1HH2 ARG 93 7.266 20.374 7.955 627 HH22 ARG 93 2HH2 ARG 93 8.395 21.350 8.831 628 H GLN 94 H GLN 94 3.354 25.475 3.990 629 HA GLN 94 HA GLN 94 3.305 25.283 1.123 630 HB3 GLN 94 2HB GLN 94 2.752 27.358 2.460 631 HG3 GLN 94 2HG GLN 94 5.745 27.632 2.610 632 HE21 GLN 94 1HE2 GLN 94 2.658 28.950 3.773 633 HE22 GLN 94 2HE2 GLN 94 3.151 30.605 3.721 634 H ASP 95 H ASP 95 5.115 25.623 -0.271 635 HA ASP 95 HA ASP 95 7.793 25.528 0.737 636 HB3 ASP 95 2HB ASP 95 8.115 23.286 -0.680 637 H HIS 96 H HIS 96 9.304 24.896 -1.267 638 HA HIS 96 HA HIS 96 8.394 25.447 -3.871 639 HB3 HIS 96 2HB HIS 96 8.013 27.705 -3.015 640 HD1 HIS 96 1HD HIS 96 9.000 27.473 -0.398 641 HD2 HIS 96 2HD HIS 96 11.466 29.097 -3.320 642 HE1 HIS 96 1HE HIS 96 10.759 28.766 0.850 643 H HIS 97 H HIS 97 10.346 26.116 -5.321 644 HA HIS 97 HA HIS 97 12.978 25.646 -4.453 645 HB3 HIS 97 2HB HIS 97 12.024 23.300 -6.050 646 HD1 HIS 97 1HD HIS 97 13.644 22.404 -2.966 647 HD2 HIS 97 2HD HIS 97 14.902 23.690 -6.712 648 HE1 HIS 97 1HE HIS 97 16.077 21.781 -3.109 649 HA PRO 98 HA PRO 98 12.335 27.500 -8.662 650 HB3 PRO 98 2HB PRO 98 12.100 29.608 -7.780 651 HG3 PRO 98 2HG PRO 98 12.957 30.133 -5.683 652 HD3 PRO 98 2HD PRO 98 11.808 28.202 -5.170 653 H GLY 99 H GLY 99 14.328 28.699 -9.910 654 HA2 GLY 99 2HA GLY 99 16.788 27.172 -9.417 655 HA3 GLY 99 3HA GLY 99 16.015 27.035 -10.989 656 H SER 100 H SER 100 18.156 27.828 -11.706 657 HA SER 100 HA SER 100 18.027 30.539 -12.447 658 HB3 SER 100 2HB SER 100 18.653 31.044 -10.166 659 HG SER 100 HG SER 100 21.063 29.634 -10.423 660 H GLY 101 H GLY 101 19.228 30.837 -14.234 661 HA2 GLY 101 2HA GLY 101 21.052 28.662 -14.987 662 HA3 GLY 101 3HA GLY 101 20.297 29.799 -16.093 663 H ALA 102 H ALA 102 22.585 29.846 -16.884 664 HA ALA 102 HA ALA 102 23.804 32.271 -16.147 665 HB1 ALA 102 1HB ALA 102 24.675 29.930 -14.662 666 HB2 ALA 102 2HB ALA 102 26.001 30.736 -15.500 667 HB3 ALA 102 3HB ALA 102 24.993 31.640 -14.369 668 H GLN 103 H GLN 103 25.587 32.818 -17.491 669 HA GLN 103 HA GLN 103 25.487 31.650 -20.067 670 HB3 GLN 103 2HB GLN 103 27.708 33.127 -20.240 671 HG3 GLN 103 2HG GLN 103 24.853 33.923 -20.233 672 HE21 GLN 103 1HE2 GLN 103 27.330 35.749 -21.794 673 HE22 GLN 103 2HE2 GLN 103 27.081 37.226 -20.932 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -17.833 22.209 -8.167 2 HA2 GLY 1 2HA GLY 1 -16.685 20.790 -6.496 3 HA3 GLY 1 3HA GLY 1 -15.623 22.066 -7.073 4 H SER 2 H SER 2 -16.092 20.531 -4.424 5 HA SER 2 HA SER 2 -16.470 22.821 -2.638 6 HB3 SER 2 2HB SER 2 -16.270 20.858 -0.887 7 HG SER 2 HG SER 2 -18.206 21.965 -1.272 8 H LEU 3 H LEU 3 -14.167 20.188 -3.264 9 HA LEU 3 HA LEU 3 -12.056 21.880 -2.109 10 HB3 LEU 3 2HB LEU 3 -12.563 20.188 -0.476 11 HG LEU 3 HG LEU 3 -12.388 18.250 -2.737 12 HD11 LEU 3 1HD1 LEU 3 -12.021 16.451 -1.028 13 HD12 LEU 3 2HD1 LEU 3 -11.540 17.717 0.101 14 HD13 LEU 3 3HD1 LEU 3 -10.612 17.455 -1.375 15 HD21 LEU 3 3HD2 LEU 3 -14.014 17.520 -0.487 16 HD22 LEU 3 1HD2 LEU 3 -14.492 17.851 -2.152 17 HD23 LEU 3 2HD2 LEU 3 -14.376 19.172 -0.988 18 H VAL 4 H VAL 4 -9.911 21.451 -2.926 19 HA VAL 4 HA VAL 4 -9.959 20.280 -5.630 20 HB VAL 4 HB VAL 4 -7.914 21.784 -5.997 21 HG11 VAL 4 1HG1 VAL 4 -10.607 23.088 -5.609 22 HG12 VAL 4 2HG1 VAL 4 -9.302 23.668 -6.646 23 HG13 VAL 4 3HG1 VAL 4 -10.121 22.150 -7.020 24 HG21 VAL 4 3HG2 VAL 4 -7.384 23.439 -4.531 25 HG22 VAL 4 1HG2 VAL 4 -9.039 23.601 -3.944 26 HG23 VAL 4 2HG2 VAL 4 -8.029 22.271 -3.377 27 HA PRO 5 HA PRO 5 -6.848 17.392 -4.511 28 HB3 PRO 5 2HB PRO 5 -7.027 16.547 -6.640 29 HG3 PRO 5 2HG PRO 5 -7.365 17.950 -8.464 30 HD3 PRO 5 2HD PRO 5 -9.021 18.719 -7.058 31 H ARG 6 H ARG 6 -5.488 20.130 -6.356 32 HA ARG 6 HA ARG 6 -3.532 21.279 -6.151 33 HB3 ARG 6 2HB ARG 6 -3.726 20.734 -3.197 34 HG3 ARG 6 2HG ARG 6 -2.674 22.982 -4.864 35 HD3 ARG 6 2HD ARG 6 -4.333 23.773 -3.077 36 HE ARG 6 HE ARG 6 -2.498 22.393 -1.361 37 HH11 ARG 6 1HH1 ARG 6 -4.664 25.108 -1.606 38 HH12 ARG 6 2HH1 ARG 6 -4.935 25.212 0.102 39 HH21 ARG 6 1HH2 ARG 6 -2.848 22.520 0.889 40 HH22 ARG 6 2HH2 ARG 6 -3.901 23.740 1.521 41 H GLY 7 H GLY 7 -2.912 18.881 -7.026 42 HA2 GLY 7 2HA GLY 7 -0.446 18.246 -5.563 43 HA3 GLY 7 3HA GLY 7 -1.558 16.938 -5.943 44 H SER 8 H SER 8 0.830 16.527 -6.896 45 HA SER 8 HA SER 8 0.744 17.381 -9.717 46 HB3 SER 8 2HB SER 8 3.207 16.395 -8.276 47 HG SER 8 HG SER 8 4.244 17.274 -10.003 48 H MET 9 H MET 9 0.745 14.730 -7.522 49 HA MET 9 HA MET 9 1.088 12.824 -9.734 50 HB3 MET 9 2HB MET 9 1.995 11.331 -8.276 51 HG3 MET 9 2HG MET 9 2.342 13.527 -6.295 52 HE1 MET 9 3HE MET 9 5.947 12.953 -7.602 53 HE2 MET 9 1HE MET 9 5.820 11.249 -8.043 54 HE3 MET 9 2HE MET 9 4.751 12.436 -8.793 55 H GLN 10 H GLN 10 -0.581 11.631 -10.420 56 HA GLN 10 HA GLN 10 -2.985 11.475 -8.736 57 HB3 GLN 10 2HB GLN 10 -4.327 11.675 -10.875 58 HG3 GLN 10 2HG GLN 10 -2.767 14.190 -10.497 59 HE21 GLN 10 1HE2 GLN 10 -3.755 14.511 -12.618 60 HE22 GLN 10 2HE2 GLN 10 -5.402 15.027 -12.698 61 H ILE 11 H ILE 11 -4.154 9.580 -8.862 62 HA ILE 11 HA ILE 11 -3.341 7.532 -10.765 63 HB ILE 11 HB ILE 11 -2.038 7.484 -8.425 64 HG13 ILE 11 2HG1 ILE 11 -2.074 5.906 -10.530 65 HG21 ILE 11 1HG2 ILE 11 -4.370 7.252 -7.326 66 HG22 ILE 11 2HG2 ILE 11 -4.263 5.572 -7.846 67 HG23 ILE 11 3HG2 ILE 11 -3.048 6.234 -6.754 68 HD11 ILE 11 3HD1 ILE 11 -1.239 4.468 -8.065 69 HD12 ILE 11 1HD1 ILE 11 -0.433 4.594 -9.629 70 HD13 ILE 11 2HD1 ILE 11 -0.417 5.961 -8.515 71 H PHE 12 H PHE 12 -4.682 5.446 -10.266 72 HA PHE 12 HA PHE 12 -7.453 6.327 -9.839 73 HB3 PHE 12 2HB PHE 12 -7.152 3.673 -10.990 74 HD1 PHE 12 2HD PHE 12 -7.673 7.063 -12.446 75 HD2 PHE 12 1HD PHE 12 -9.386 3.310 -11.401 76 HE1 PHE 12 2HE PHE 12 -9.793 7.743 -13.492 77 HE2 PHE 12 1HE PHE 12 -11.509 3.984 -12.445 78 HZ PHE 12 HZ PHE 12 -11.715 6.203 -13.494 79 H VAL 13 H VAL 13 -8.432 5.727 -8.032 80 HA VAL 13 HA VAL 13 -7.682 3.177 -6.778 81 HB VAL 13 HB VAL 13 -8.118 5.757 -5.266 82 HG11 VAL 13 1HG1 VAL 13 -8.067 2.942 -4.481 83 HG12 VAL 13 2HG1 VAL 13 -6.978 3.965 -3.543 84 HG13 VAL 13 3HG1 VAL 13 -8.698 4.349 -3.624 85 HG21 VAL 13 3HG2 VAL 13 -5.789 4.735 -6.531 86 HG22 VAL 13 1HG2 VAL 13 -5.950 6.166 -5.512 87 HG23 VAL 13 2HG2 VAL 13 -5.566 4.606 -4.786 88 H LYS 14 H LYS 14 -9.385 1.933 -6.379 89 HA LYS 14 HA LYS 14 -12.031 3.211 -6.147 90 HB3 LYS 14 2HB LYS 14 -12.911 1.013 -7.078 91 HG3 LYS 14 2HG LYS 14 -12.384 1.505 -9.417 92 HD3 LYS 14 2HD LYS 14 -13.201 3.806 -9.480 93 HE3 LYS 14 2HE LYS 14 -15.216 3.539 -8.171 94 HZ1 LYS 14 3HZ LYS 14 -14.556 0.761 -8.857 95 HZ2 LYS 14 1HZ LYS 14 -14.606 1.919 -10.089 96 HZ3 LYS 14 2HZ LYS 14 -15.979 1.629 -9.146 97 H THR 15 H THR 15 -12.853 3.017 -4.180 98 HA THR 15 HA THR 15 -11.799 1.184 -2.255 99 HB THR 15 HB THR 15 -13.476 2.093 -0.725 100 HG1 THR 15 1HG THR 15 -14.556 3.081 -3.128 101 HG21 THR 15 3HG2 THR 15 -12.449 4.111 -0.468 102 HG22 THR 15 1HG2 THR 15 -12.604 4.532 -2.173 103 HG23 THR 15 2HG2 THR 15 -11.348 3.409 -1.652 104 H LEU 16 H LEU 16 -13.659 0.076 -0.820 105 HA LEU 16 HA LEU 16 -14.699 -2.014 -2.484 106 HB3 LEU 16 2HB LEU 16 -13.915 -2.729 -0.406 107 HG LEU 16 HG LEU 16 -14.931 -0.274 0.678 108 HD11 LEU 16 1HD1 LEU 16 -16.837 -1.445 1.483 109 HD12 LEU 16 2HD1 LEU 16 -15.729 -1.258 2.842 110 HD13 LEU 16 3HD1 LEU 16 -15.853 -2.810 2.013 111 HD21 LEU 16 3HD2 LEU 16 -13.445 -2.222 2.338 112 HD22 LEU 16 1HD2 LEU 16 -13.156 -0.503 2.066 113 HD23 LEU 16 2HD2 LEU 16 -12.668 -1.681 0.849 114 H THR 17 H THR 17 -15.957 0.870 -1.018 115 HA THR 17 HA THR 17 -18.726 0.105 -1.377 116 HB THR 17 HB THR 17 -17.868 1.630 0.481 117 HG1 THR 17 1HG THR 17 -19.859 2.455 0.581 118 HG21 THR 17 3HG2 THR 17 -17.971 3.685 -1.728 119 HG22 THR 17 1HG2 THR 17 -16.490 3.070 -0.997 120 HG23 THR 17 2HG2 THR 17 -17.642 3.985 -0.023 121 H GLY 18 H GLY 18 -16.270 1.834 -3.124 122 HA2 GLY 18 2HA GLY 18 -16.709 1.896 -5.576 123 HA3 GLY 18 3HA GLY 18 -18.287 2.551 -5.164 124 H LYS 19 H LYS 19 -16.346 3.896 -2.955 125 HA LYS 19 HA LYS 19 -16.381 6.453 -4.185 126 HB3 LYS 19 2HB LYS 19 -14.765 6.928 -2.148 127 HG3 LYS 19 2HG LYS 19 -16.832 6.651 -0.574 128 HD3 LYS 19 2HD LYS 19 -16.816 8.472 -2.980 129 HE3 LYS 19 2HE LYS 19 -19.010 8.532 -2.035 130 HZ1 LYS 19 3HZ LYS 19 -17.592 8.255 0.472 131 HZ2 LYS 19 1HZ LYS 19 -19.147 7.746 0.044 132 HZ3 LYS 19 2HZ LYS 19 -18.879 9.350 0.507 133 H THR 20 H THR 20 -14.710 7.709 -4.988 134 HA THR 20 HA THR 20 -12.260 6.227 -5.689 135 HB THR 20 HB THR 20 -12.841 8.638 -7.262 136 HG1 THR 20 1HG THR 20 -14.419 6.400 -7.908 137 HG21 THR 20 3HG2 THR 20 -11.101 6.734 -7.600 138 HG22 THR 20 1HG2 THR 20 -11.932 7.401 -9.003 139 HG23 THR 20 2HG2 THR 20 -12.455 5.862 -8.319 140 H ILE 21 H ILE 21 -10.325 7.052 -5.139 141 HA ILE 21 HA ILE 21 -10.208 9.822 -4.162 142 HB ILE 21 HB ILE 21 -8.493 8.895 -2.452 143 HG13 ILE 21 2HG1 ILE 21 -8.572 6.664 -1.861 144 HG21 ILE 21 1HG2 ILE 21 -11.476 8.732 -2.268 145 HG22 ILE 21 2HG2 ILE 21 -10.463 8.316 -0.887 146 HG23 ILE 21 3HG2 ILE 21 -10.381 9.933 -1.584 147 HD11 ILE 21 3HD1 ILE 21 -10.710 6.062 -1.374 148 HD12 ILE 21 1HD1 ILE 21 -11.357 6.708 -2.882 149 HD13 ILE 21 2HD1 ILE 21 -10.480 5.178 -2.882 150 H THR 22 H THR 22 -8.426 10.947 -4.743 151 HA THR 22 HA THR 22 -6.690 9.778 -6.721 152 HB THR 22 HB THR 22 -6.094 12.473 -5.616 153 HG1 THR 22 1HG THR 22 -8.507 11.751 -6.910 154 HG21 THR 22 3HG2 THR 22 -4.812 12.148 -7.469 155 HG22 THR 22 1HG2 THR 22 -6.253 12.777 -8.267 156 HG23 THR 22 2HG2 THR 22 -5.967 11.038 -8.207 157 H LEU 23 H LEU 23 -4.859 8.750 -6.294 158 HA LEU 23 HA LEU 23 -3.459 9.352 -3.772 159 HB3 LEU 23 2HB LEU 23 -2.464 6.940 -4.596 160 HG LEU 23 HG LEU 23 -4.047 5.829 -2.993 161 HD11 LEU 23 1HD1 LEU 23 -3.105 6.932 -1.023 162 HD12 LEU 23 2HD1 LEU 23 -2.592 8.288 -2.028 163 HD13 LEU 23 3HD1 LEU 23 -1.888 6.691 -2.277 164 HD21 LEU 23 3HD2 LEU 23 -5.910 7.459 -3.417 165 HD22 LEU 23 1HD2 LEU 23 -5.007 8.634 -2.460 166 HD23 LEU 23 2HD2 LEU 23 -5.569 7.137 -1.717 167 H GLU 24 H GLU 24 -1.193 9.476 -3.784 168 HA GLU 24 HA GLU 24 -0.086 10.265 -6.368 169 HB3 GLU 24 2HB GLU 24 0.139 11.776 -4.406 170 HG3 GLU 24 2HG GLU 24 1.485 9.413 -3.257 171 H VAL 25 H VAL 25 1.912 9.472 -7.142 172 HA VAL 25 HA VAL 25 2.944 7.039 -5.879 173 HB VAL 25 HB VAL 25 1.505 6.062 -7.463 174 HG11 VAL 25 1HG1 VAL 25 2.486 8.156 -9.395 175 HG12 VAL 25 2HG1 VAL 25 1.507 6.767 -9.867 176 HG13 VAL 25 3HG1 VAL 25 0.857 7.966 -8.747 177 HG21 VAL 25 3HG2 VAL 25 3.990 6.178 -9.118 178 HG22 VAL 25 1HG2 VAL 25 4.041 5.457 -7.508 179 HG23 VAL 25 2HG2 VAL 25 2.959 4.799 -8.736 180 H GLU 26 H GLU 26 5.110 6.625 -6.256 181 HA GLU 26 HA GLU 26 6.662 7.993 -8.199 182 HB3 GLU 26 2HB GLU 26 7.455 8.874 -5.470 183 HG3 GLU 26 2HG GLU 26 7.531 10.154 -8.190 184 HA PRO 27 HA PRO 27 9.152 4.481 -7.226 185 HB3 PRO 27 2HB PRO 27 9.839 4.564 -9.417 186 HG3 PRO 27 2HG PRO 27 10.057 6.594 -10.530 187 HD3 PRO 27 2HD PRO 27 7.939 6.847 -9.657 188 H SER 28 H SER 28 9.917 7.710 -6.396 189 HA SER 28 HA SER 28 12.204 6.827 -4.767 190 HB3 SER 28 2HB SER 28 11.860 9.700 -4.853 191 HG SER 28 HG SER 28 13.971 8.629 -6.209 192 H ASP 29 H ASP 29 8.967 7.801 -4.633 193 HA ASP 29 HA ASP 29 9.200 8.481 -1.778 194 HB3 ASP 29 2HB ASP 29 6.663 9.011 -3.226 195 H THR 30 H THR 30 8.333 7.158 -0.312 196 HA THR 30 HA THR 30 7.007 4.742 -1.234 197 HB THR 30 HB THR 30 7.443 3.801 0.860 198 HG1 THR 30 1HG THR 30 7.804 5.036 2.718 199 HG21 THR 30 3HG2 THR 30 9.707 5.768 0.767 200 HG22 THR 30 1HG2 THR 30 9.498 4.566 -0.505 201 HG23 THR 30 2HG2 THR 30 9.744 4.051 1.165 202 H ILE 31 H ILE 31 5.185 3.924 0.270 203 HA ILE 31 HA ILE 31 2.953 5.573 -0.064 204 HB ILE 31 HB ILE 31 3.394 3.124 1.626 205 HG13 ILE 31 2HG1 ILE 31 2.034 3.732 -0.991 206 HG21 ILE 31 1HG2 ILE 31 1.010 4.914 1.485 207 HG22 ILE 31 2HG2 ILE 31 0.788 3.177 1.689 208 HG23 ILE 31 3HG2 ILE 31 1.717 4.092 2.876 209 HD11 ILE 31 3HD1 ILE 31 4.244 1.926 -0.121 210 HD12 ILE 31 1HD1 ILE 31 3.280 1.536 -1.545 211 HD13 ILE 31 2HD1 ILE 31 4.180 3.051 -1.478 212 H GLU 32 H GLU 32 5.269 5.385 2.496 213 HA GLU 32 HA GLU 32 3.892 6.317 4.689 214 HB3 GLU 32 2HB GLU 32 6.674 7.164 3.862 215 HG3 GLU 32 2HG GLU 32 5.186 7.287 6.427 216 H ASN 33 H ASN 33 5.522 8.305 2.218 217 HA ASN 33 HA ASN 33 4.436 10.744 3.270 218 HB3 ASN 33 2HB ASN 33 5.561 10.561 0.505 219 HD21 ASN 33 1HD2 ASN 33 4.291 12.568 0.518 220 HD22 ASN 33 2HD2 ASN 33 5.019 13.992 1.170 221 H VAL 34 H VAL 34 3.559 8.456 0.791 222 HA VAL 34 HA VAL 34 1.798 10.017 -0.720 223 HB VAL 34 HB VAL 34 1.673 7.058 -0.122 224 HG11 VAL 34 1HG1 VAL 34 -0.390 7.259 -1.005 225 HG12 VAL 34 2HG1 VAL 34 -0.038 8.823 -1.741 226 HG13 VAL 34 3HG1 VAL 34 0.489 7.337 -2.531 227 HG21 VAL 34 3HG2 VAL 34 3.447 6.917 -1.453 228 HG22 VAL 34 1HG2 VAL 34 2.466 7.564 -2.768 229 HG23 VAL 34 2HG2 VAL 34 3.409 8.655 -1.754 230 H LYS 35 H LYS 35 1.387 8.395 2.355 231 HA LYS 35 HA LYS 35 -1.364 8.320 2.591 232 HB3 LYS 35 2HB LYS 35 0.471 7.516 4.223 233 HG3 LYS 35 2HG LYS 35 -0.116 10.124 5.586 234 HD3 LYS 35 2HD LYS 35 2.042 9.363 6.775 235 HE3 LYS 35 2HE LYS 35 0.612 7.585 8.089 236 HZ1 LYS 35 3HZ LYS 35 0.659 9.417 9.335 237 HZ2 LYS 35 1HZ LYS 35 -0.856 9.777 8.674 238 HZ3 LYS 35 2HZ LYS 35 0.541 10.459 8.008 239 H ALA 36 H ALA 36 0.789 11.054 2.752 240 HA ALA 36 HA ALA 36 -0.948 12.891 4.006 241 HB1 ALA 36 1HB ALA 36 0.667 14.438 3.632 242 HB2 ALA 36 2HB ALA 36 1.630 12.991 3.328 243 HB3 ALA 36 3HB ALA 36 0.955 13.902 1.976 244 H LYS 37 H LYS 37 -0.653 11.777 0.707 245 HA LYS 37 HA LYS 37 -2.268 13.849 -0.434 246 HB3 LYS 37 2HB LYS 37 -2.401 11.862 -2.266 247 HG3 LYS 37 2HG LYS 37 0.174 12.744 -2.685 248 HD3 LYS 37 2HD LYS 37 -2.185 12.903 -3.969 249 HE3 LYS 37 2HE LYS 37 -2.882 14.852 -2.596 250 HZ1 LYS 37 3HZ LYS 37 -1.409 16.440 -2.203 251 HZ2 LYS 37 1HZ LYS 37 -1.489 16.887 -3.834 252 HZ3 LYS 37 2HZ LYS 37 -0.308 15.794 -3.314 253 H ILE 38 H ILE 38 -2.835 10.391 0.226 254 HA ILE 38 HA ILE 38 -5.566 10.418 -0.464 255 HB ILE 38 HB ILE 38 -4.360 8.326 -0.342 256 HG13 ILE 38 2HG1 ILE 38 -6.420 8.327 1.868 257 HG21 ILE 38 1HG2 ILE 38 -3.485 7.396 1.660 258 HG22 ILE 38 2HG2 ILE 38 -2.889 9.052 1.561 259 HG23 ILE 38 3HG2 ILE 38 -4.222 8.658 2.646 260 HD11 ILE 38 3HD1 ILE 38 -6.764 8.838 -1.006 261 HD12 ILE 38 1HD1 ILE 38 -7.834 7.626 -0.303 262 HD13 ILE 38 2HD1 ILE 38 -7.796 9.259 0.360 263 H GLN 39 H GLN 39 -3.892 10.916 2.607 264 HA GLN 39 HA GLN 39 -6.013 10.871 4.368 265 HB3 GLN 39 2HB GLN 39 -4.590 12.801 5.510 266 HG3 GLN 39 2HG GLN 39 -2.763 10.916 5.936 267 HE21 GLN 39 1HE2 GLN 39 -3.059 9.772 7.907 268 HE22 GLN 39 2HE2 GLN 39 -4.364 10.171 8.967 269 H ASP 40 H ASP 40 -5.018 13.434 2.176 270 HA ASP 40 HA ASP 40 -6.884 15.354 3.211 271 HB3 ASP 40 2HB ASP 40 -5.076 15.252 0.813 272 H LYS 41 H LYS 41 -6.940 12.850 0.815 273 HA LYS 41 HA LYS 41 -9.232 13.812 -0.605 274 HB3 LYS 41 2HB LYS 41 -9.248 11.560 -1.630 275 HG3 LYS 41 2HG LYS 41 -7.076 11.581 -2.691 276 HD3 LYS 41 2HD LYS 41 -8.140 14.349 -2.124 277 HE3 LYS 41 2HE LYS 41 -5.954 13.377 -3.846 278 HZ1 LYS 41 3HZ LYS 41 -7.671 15.551 -4.872 279 HZ2 LYS 41 1HZ LYS 41 -7.881 13.950 -5.378 280 HZ3 LYS 41 2HZ LYS 41 -6.412 14.741 -5.660 281 H GLU 42 H GLU 42 -8.752 11.094 1.658 282 HA GLU 42 HA GLU 42 -11.579 11.377 2.433 283 HB3 GLU 42 2HB GLU 42 -11.287 8.800 2.928 284 HG3 GLU 42 2HG GLU 42 -11.928 8.280 0.524 285 H GLY 43 H GLY 43 -8.306 10.505 3.385 286 HA2 GLY 43 2HA GLY 43 -7.441 11.236 5.505 287 HA3 GLY 43 3HA GLY 43 -9.058 11.076 6.174 288 H ILE 44 H ILE 44 -8.075 8.534 4.115 289 HA ILE 44 HA ILE 44 -7.782 6.783 6.451 290 HB ILE 44 HB ILE 44 -8.156 5.889 3.598 291 HG13 ILE 44 2HG1 ILE 44 -10.559 5.694 4.092 292 HG21 ILE 44 1HG2 ILE 44 -8.881 4.496 6.166 293 HG22 ILE 44 2HG2 ILE 44 -8.826 3.814 4.542 294 HG23 ILE 44 3HG2 ILE 44 -7.332 4.287 5.352 295 HD11 ILE 44 3HD1 ILE 44 -9.783 6.204 6.764 296 HD12 ILE 44 1HD1 ILE 44 -10.821 7.527 6.233 297 HD13 ILE 44 2HD1 ILE 44 -11.392 5.862 6.128 298 HA PRO 45 HA PRO 45 -3.407 6.917 5.319 299 HB3 PRO 45 2HB PRO 45 -2.971 7.572 7.478 300 HG3 PRO 45 2HG PRO 45 -4.402 6.995 9.217 301 HD3 PRO 45 2HD PRO 45 -5.928 7.849 7.716 302 HA PRO 46 HA PRO 46 -2.647 2.766 4.078 303 HB3 PRO 46 2HB PRO 46 -0.692 3.512 3.130 304 HG3 PRO 46 2HG PRO 46 0.602 5.140 4.171 305 HD3 PRO 46 2HD PRO 46 -1.462 6.163 4.249 306 H ASP 47 H ASP 47 -1.180 3.690 7.168 307 HA ASP 47 HA ASP 47 -0.682 1.082 8.111 308 HB3 ASP 47 2HB ASP 47 -0.291 2.073 10.234 309 H GLN 48 H GLN 48 -3.586 2.777 7.661 310 HA GLN 48 HA GLN 48 -5.015 1.035 9.551 311 HB3 GLN 48 2HB GLN 48 -6.933 2.649 9.119 312 HG3 GLN 48 2HG GLN 48 -4.531 4.054 10.238 313 HE21 GLN 48 1HE2 GLN 48 -5.057 5.565 11.822 314 HE22 GLN 48 2HE2 GLN 48 -6.653 6.209 11.978 315 H GLN 49 H GLN 49 -4.052 0.835 6.531 316 HA GLN 49 HA GLN 49 -6.327 -0.782 5.736 317 HB3 GLN 49 2HB GLN 49 -6.641 1.622 4.879 318 HG3 GLN 49 2HG GLN 49 -4.982 0.913 2.554 319 HE21 GLN 49 1HE2 GLN 49 -3.554 3.204 2.423 320 HE22 GLN 49 2HE2 GLN 49 -4.610 4.567 2.330 321 H ARG 50 H ARG 50 -5.655 -1.362 3.163 322 HA ARG 50 HA ARG 50 -2.886 -2.351 3.345 323 HB3 ARG 50 2HB ARG 50 -4.458 -4.176 3.808 324 HG3 ARG 50 2HG ARG 50 -5.463 -4.417 1.086 325 HD3 ARG 50 2HD ARG 50 -7.605 -4.732 2.495 326 HE ARG 50 HE ARG 50 -5.887 -6.836 3.335 327 HH11 ARG 50 1HH1 ARG 50 -7.264 -5.332 0.513 328 HH12 ARG 50 2HH1 ARG 50 -7.190 -6.770 -0.450 329 HH21 ARG 50 1HH2 ARG 50 -5.786 -8.736 2.077 330 HH22 ARG 50 2HH2 ARG 50 -6.350 -8.706 0.441 331 H LEU 51 H LEU 51 -1.973 -2.977 1.208 332 HA LEU 51 HA LEU 51 -2.844 -1.052 -0.831 333 HB3 LEU 51 2HB LEU 51 -0.341 -2.255 -1.468 334 HG LEU 51 HG LEU 51 -1.104 0.127 -1.979 335 HD11 LEU 51 1HD1 LEU 51 -0.499 1.821 -0.346 336 HD12 LEU 51 2HD1 LEU 51 -0.034 0.569 0.804 337 HD13 LEU 51 3HD1 LEU 51 -1.719 0.731 0.313 338 HD21 LEU 51 3HD2 LEU 51 1.043 0.666 -2.456 339 HD22 LEU 51 1HD2 LEU 51 1.312 -1.019 -2.012 340 HD23 LEU 51 2HD2 LEU 51 1.623 0.262 -0.839 341 H ILE 52 H ILE 52 -3.285 -1.669 -2.909 342 HA ILE 52 HA ILE 52 -3.177 -4.552 -3.500 343 HB ILE 52 HB ILE 52 -5.471 -2.655 -3.899 344 HG13 ILE 52 2HG1 ILE 52 -5.140 -5.401 -2.685 345 HG21 ILE 52 1HG2 ILE 52 -5.407 -3.521 -6.037 346 HG22 ILE 52 2HG2 ILE 52 -4.760 -5.072 -5.503 347 HG23 ILE 52 3HG2 ILE 52 -6.454 -4.675 -5.210 348 HD11 ILE 52 3HD1 ILE 52 -6.505 -3.951 -0.881 349 HD12 ILE 52 1HD1 ILE 52 -4.751 -4.124 -0.884 350 HD13 ILE 52 2HD1 ILE 52 -5.497 -2.696 -1.600 351 H PHE 53 H PHE 53 -1.948 -4.935 -5.209 352 HA PHE 53 HA PHE 53 -1.889 -2.946 -7.380 353 HB3 PHE 53 2HB PHE 53 0.395 -4.469 -6.138 354 HD1 PHE 53 2HD PHE 53 -0.538 -2.476 -9.137 355 HD2 PHE 53 1HD PHE 53 2.309 -5.049 -7.295 356 HE1 PHE 53 2HE PHE 53 0.722 -2.586 -11.247 357 HE2 PHE 53 1HE PHE 53 3.575 -5.162 -9.402 358 HZ PHE 53 HZ PHE 53 2.782 -3.930 -11.382 359 H ALA 54 H ALA 54 -2.921 -3.814 -9.052 360 HA ALA 54 HA ALA 54 -3.649 -5.300 -10.619 361 HB1 ALA 54 1HB ALA 54 -1.984 -6.724 -11.612 362 HB2 ALA 54 2HB ALA 54 -1.242 -5.181 -11.189 363 HB3 ALA 54 3HB ALA 54 -0.965 -6.599 -10.178 364 H GLY 55 H GLY 55 -4.258 -5.876 -7.819 365 HA2 GLY 55 2HA GLY 55 -5.677 -7.583 -7.014 366 HA3 GLY 55 3HA GLY 55 -4.964 -8.692 -8.176 367 H LYS 56 H LYS 56 -2.253 -7.582 -7.232 368 HA LYS 56 HA LYS 56 -1.995 -9.463 -5.001 369 HB3 LYS 56 2HB LYS 56 0.203 -8.149 -6.606 370 HG3 LYS 56 2HG LYS 56 0.473 -10.806 -5.311 371 HD3 LYS 56 2HD LYS 56 2.148 -9.441 -6.833 372 HE3 LYS 56 2HE LYS 56 2.965 -8.509 -4.094 373 HZ1 LYS 56 3HZ LYS 56 4.474 -7.140 -5.283 374 HZ2 LYS 56 1HZ LYS 56 3.783 -7.539 -6.775 375 HZ3 LYS 56 2HZ LYS 56 4.643 -8.705 -5.903 376 H GLN 57 H GLN 57 -1.705 -8.778 -2.984 377 HA GLN 57 HA GLN 57 -1.530 -5.957 -2.433 378 HB3 GLN 57 2HB GLN 57 -1.750 -8.412 -0.708 379 HG3 GLN 57 2HG GLN 57 -1.403 -5.568 0.195 380 HE21 GLN 57 1HE2 GLN 57 -0.830 -6.524 2.837 381 HE22 GLN 57 2HE2 GLN 57 -2.345 -6.910 3.575 382 H LEU 58 H LEU 58 0.119 -4.900 -1.296 383 HA LEU 58 HA LEU 58 2.695 -6.328 -1.214 384 HB3 LEU 58 2HB LEU 58 3.833 -4.486 -2.075 385 HG LEU 58 HG LEU 58 2.093 -5.537 -3.763 386 HD11 LEU 58 1HD1 LEU 58 1.168 -2.962 -4.514 387 HD12 LEU 58 2HD1 LEU 58 0.716 -3.240 -2.834 388 HD13 LEU 58 3HD1 LEU 58 0.226 -4.389 -4.079 389 HD21 LEU 58 3HD2 LEU 58 3.800 -3.092 -4.119 390 HD22 LEU 58 1HD2 LEU 58 2.954 -3.847 -5.470 391 HD23 LEU 58 2HD2 LEU 58 4.157 -4.763 -4.561 392 H GLU 59 H GLU 59 4.232 -4.363 -0.056 393 HA GLU 59 HA GLU 59 2.899 -3.861 2.522 394 HB3 GLU 59 2HB GLU 59 4.310 -5.680 2.999 395 HG3 GLU 59 2HG GLU 59 6.507 -4.307 1.468 396 H ASP 60 H ASP 60 4.666 -2.436 3.869 397 HA ASP 60 HA ASP 60 5.320 -0.162 2.110 398 HB3 ASP 60 2HB ASP 60 5.030 0.992 4.562 399 H GLY 61 H GLY 61 7.051 1.266 2.956 400 HA2 GLY 61 2HA GLY 61 8.823 1.199 4.835 401 HA3 GLY 61 3HA GLY 61 9.167 -0.386 4.161 402 H ARG 62 H ARG 62 9.909 -0.497 1.937 403 HA ARG 62 HA ARG 62 11.712 1.704 1.353 404 HB3 ARG 62 2HB ARG 62 12.527 0.129 -0.454 405 HG3 ARG 62 2HG ARG 62 13.362 0.209 2.016 406 HD3 ARG 62 2HD ARG 62 11.823 -2.358 1.859 407 HE ARG 62 HE ARG 62 14.422 -2.198 2.916 408 HH11 ARG 62 1HH1 ARG 62 11.230 -3.289 3.779 409 HH12 ARG 62 2HH1 ARG 62 11.801 -4.519 4.857 410 HH21 ARG 62 1HH2 ARG 62 15.185 -3.815 4.333 411 HH22 ARG 62 2HH2 ARG 62 14.050 -4.817 5.172 412 H THR 63 H THR 63 11.996 2.285 -1.021 413 HA THR 63 HA THR 63 9.476 3.259 -1.996 414 HB THR 63 HB THR 63 10.749 4.405 -3.704 415 HG1 THR 63 1HG THR 63 13.138 4.019 -3.617 416 HG21 THR 63 3HG2 THR 63 12.003 4.433 -0.967 417 HG22 THR 63 1HG2 THR 63 10.811 5.549 -1.632 418 HG23 THR 63 2HG2 THR 63 12.468 5.565 -2.236 419 H LEU 64 H LEU 64 9.024 3.097 -4.418 420 HA LEU 64 HA LEU 64 8.469 0.431 -5.074 421 HB3 LEU 64 2HB LEU 64 7.532 1.233 -7.040 422 HG LEU 64 HG LEU 64 7.553 3.818 -5.496 423 HD11 LEU 64 1HD1 LEU 64 5.756 2.564 -7.543 424 HD12 LEU 64 2HD1 LEU 64 6.511 4.158 -7.557 425 HD13 LEU 64 3HD1 LEU 64 5.178 3.823 -6.452 426 HD21 LEU 64 3HD2 LEU 64 6.894 2.401 -3.814 427 HD22 LEU 64 1HD2 LEU 64 6.194 1.226 -4.927 428 HD23 LEU 64 2HD2 LEU 64 5.345 2.735 -4.589 429 H SER 65 H SER 65 11.061 2.593 -6.130 430 HA SER 65 HA SER 65 12.177 0.896 -8.075 431 HB3 SER 65 2HB SER 65 13.590 2.965 -6.373 432 HG SER 65 HG SER 65 15.084 1.788 -7.518 433 H GLU 66 H GLU 66 12.581 1.081 -4.597 434 HA GLU 66 HA GLU 66 14.830 -0.686 -4.495 435 HB3 GLU 66 2HB GLU 66 14.201 -0.788 -2.022 436 HG3 GLU 66 2HG GLU 66 14.651 1.910 -3.275 437 H TYR 67 H TYR 67 11.343 -1.037 -4.192 438 HA TYR 67 HA TYR 67 11.540 -3.845 -3.514 439 HB3 TYR 67 2HB TYR 67 8.917 -2.805 -4.345 440 HD1 TYR 67 1HD TYR 67 8.715 -5.354 -4.126 441 HD2 TYR 67 2HD TYR 67 9.525 -2.785 -0.832 442 HE1 TYR 67 1HE TYR 67 7.961 -7.110 -2.578 443 HE2 TYR 67 2HE TYR 67 8.775 -4.534 0.724 444 HH TYR 67 HH TYR 67 7.551 -7.650 -0.464 445 H ASN 68 H ASN 68 11.795 -2.096 -6.314 446 HA ASN 68 HA ASN 68 11.803 -2.641 -8.522 447 HB3 ASN 68 2HB ASN 68 12.117 -4.954 -9.146 448 HD21 ASN 68 1HD2 ASN 68 14.228 -4.967 -9.321 449 HD22 ASN 68 2HD2 ASN 68 15.363 -4.834 -8.025 450 H ILE 69 H ILE 69 9.250 -2.347 -6.889 451 HA ILE 69 HA ILE 69 7.361 -3.831 -8.555 452 HB ILE 69 HB ILE 69 5.631 -3.014 -7.038 453 HG13 ILE 69 2HG1 ILE 69 6.646 -0.814 -6.548 454 HG21 ILE 69 1HG2 ILE 69 7.781 -4.733 -6.358 455 HG22 ILE 69 2HG2 ILE 69 7.302 -3.857 -4.905 456 HG23 ILE 69 3HG2 ILE 69 6.108 -4.792 -5.803 457 HD11 ILE 69 3HD1 ILE 69 6.107 -2.473 -4.098 458 HD12 ILE 69 1HD1 ILE 69 6.253 -0.715 -4.113 459 HD13 ILE 69 2HD1 ILE 69 4.947 -1.501 -5.002 460 H GLN 70 H GLN 70 5.541 -2.718 -9.537 461 HA GLN 70 HA GLN 70 6.187 0.050 -10.313 462 HB3 GLN 70 2HB GLN 70 6.624 -1.308 -12.220 463 HG3 GLN 70 2HG GLN 70 3.862 -2.458 -12.165 464 HE21 GLN 70 1HE2 GLN 70 4.908 -5.018 -12.821 465 HE22 GLN 70 2HE2 GLN 70 5.501 -4.938 -14.441 466 H LYS 71 H LYS 71 4.805 0.799 -8.632 467 HA LYS 71 HA LYS 71 1.963 0.161 -8.874 468 HB3 LYS 71 2HB LYS 71 1.808 1.638 -6.802 469 HG3 LYS 71 2HG LYS 71 3.722 -0.621 -6.349 470 HD3 LYS 71 2HD LYS 71 2.156 -0.996 -4.421 471 HE3 LYS 71 2HE LYS 71 4.300 0.654 -4.602 472 HZ1 LYS 71 3HZ LYS 71 2.128 2.283 -3.400 473 HZ2 LYS 71 1HZ LYS 71 2.868 2.606 -4.888 474 HZ3 LYS 71 2HZ LYS 71 3.771 2.686 -3.459 475 H GLU 72 H GLU 72 3.494 1.811 -10.840 476 HA GLU 72 HA GLU 72 2.199 4.418 -10.519 477 HB3 GLU 72 2HB GLU 72 3.714 5.272 -12.099 478 HG3 GLU 72 2HG GLU 72 5.595 3.205 -11.152 479 H SER 73 H SER 73 0.613 2.103 -11.118 480 HA SER 73 HA SER 73 -0.437 2.931 -13.738 481 HB3 SER 73 2HB SER 73 -1.165 0.394 -13.851 482 HG SER 73 HG SER 73 0.490 1.673 -15.135 483 H THR 74 H THR 74 -1.550 0.435 -11.494 484 HA THR 74 HA THR 74 -3.860 2.110 -10.799 485 HB THR 74 HB THR 74 -4.416 -0.772 -11.228 486 HG1 THR 74 1HG THR 74 -3.860 1.067 -13.316 487 HG21 THR 74 3HG2 THR 74 -5.840 1.824 -11.295 488 HG22 THR 74 1HG2 THR 74 -6.354 0.267 -10.647 489 HG23 THR 74 2HG2 THR 74 -6.430 0.567 -12.383 490 H LEU 75 H LEU 75 -3.715 2.341 -8.663 491 HA LEU 75 HA LEU 75 -3.296 -0.071 -7.034 492 HB3 LEU 75 2HB LEU 75 -2.314 2.009 -5.499 493 HG LEU 75 HG LEU 75 0.006 1.147 -6.130 494 HD11 LEU 75 1HD1 LEU 75 -2.174 -0.148 -4.694 495 HD12 LEU 75 2HD1 LEU 75 -0.503 0.136 -4.207 496 HD13 LEU 75 3HD1 LEU 75 -0.906 -1.265 -5.200 497 HD21 LEU 75 3HD2 LEU 75 -0.755 0.294 -8.367 498 HD22 LEU 75 1HD2 LEU 75 -1.596 -0.998 -7.508 499 HD23 LEU 75 2HD2 LEU 75 0.158 -0.861 -7.395 500 H HIS 76 H HIS 76 -4.591 -0.282 -5.271 501 HA HIS 76 HA HIS 76 -6.319 1.975 -4.538 502 HB3 HIS 76 2HB HIS 76 -7.146 -0.684 -5.573 503 HD1 HIS 76 1HD HIS 76 -8.874 -2.131 -4.538 504 HD2 HIS 76 2HD HIS 76 -8.639 1.581 -2.687 505 HE1 HIS 76 1HE HIS 76 -10.437 -2.259 -2.573 506 H LEU 77 H LEU 77 -5.874 2.381 -2.480 507 HA LEU 77 HA LEU 77 -5.672 0.109 -0.619 508 HB3 LEU 77 2HB LEU 77 -3.458 0.835 -0.793 509 HG LEU 77 HG LEU 77 -4.519 3.617 -0.920 510 HD11 LEU 77 1HD1 LEU 77 -1.793 3.896 -0.485 511 HD12 LEU 77 2HD1 LEU 77 -2.331 2.788 0.778 512 HD13 LEU 77 3HD1 LEU 77 -3.093 4.369 0.608 513 HD21 LEU 77 3HD2 LEU 77 -2.354 3.620 -2.431 514 HD22 LEU 77 1HD2 LEU 77 -3.883 2.959 -3.011 515 HD23 LEU 77 2HD2 LEU 77 -2.626 1.876 -2.413 516 H VAL 78 H VAL 78 -7.771 0.316 0.110 517 HA VAL 78 HA VAL 78 -8.221 2.531 1.943 518 HB VAL 78 HB VAL 78 -10.224 1.857 -0.217 519 HG11 VAL 78 1HG1 VAL 78 -11.780 2.839 1.025 520 HG12 VAL 78 2HG1 VAL 78 -10.624 2.902 2.357 521 HG13 VAL 78 3HG1 VAL 78 -10.765 4.265 1.245 522 HG21 VAL 78 3HG2 VAL 78 -8.331 4.153 0.159 523 HG22 VAL 78 1HG2 VAL 78 -8.599 3.159 -1.273 524 HG23 VAL 78 2HG2 VAL 78 -9.817 4.333 -0.772 525 H LEU 79 H LEU 79 -8.875 1.691 3.802 526 HA LEU 79 HA LEU 79 -10.355 -0.856 3.754 527 HB3 LEU 79 2HB LEU 79 -8.744 0.225 6.054 528 HG LEU 79 HG LEU 79 -10.233 -1.564 6.745 529 HD11 LEU 79 1HD1 LEU 79 -10.628 -2.634 4.618 530 HD12 LEU 79 2HD1 LEU 79 -10.003 -3.816 5.768 531 HD13 LEU 79 3HD1 LEU 79 -8.944 -3.146 4.527 532 HD21 LEU 79 3HD2 LEU 79 -7.330 -2.324 6.504 533 HD22 LEU 79 1HD2 LEU 79 -8.494 -3.214 7.486 534 HD23 LEU 79 2HD2 LEU 79 -8.132 -1.528 7.859 535 H ARG 80 H ARG 80 -12.446 -0.560 4.126 536 HA ARG 80 HA ARG 80 -14.411 0.285 4.915 537 HB3 ARG 80 2HB ARG 80 -12.825 0.795 7.435 538 HG3 ARG 80 2HG ARG 80 -15.484 -0.350 7.681 539 HD3 ARG 80 2HD ARG 80 -15.592 1.808 9.173 540 HE ARG 80 HE ARG 80 -14.447 -0.742 9.703 541 HH11 ARG 80 1HH1 ARG 80 -14.887 2.446 11.030 542 HH12 ARG 80 2HH1 ARG 80 -14.790 1.915 12.677 543 HH21 ARG 80 1HH2 ARG 80 -14.319 -1.453 11.867 544 HH22 ARG 80 2HH2 ARG 80 -14.467 -0.302 13.152 545 H LEU 81 H LEU 81 -13.965 2.097 3.360 546 HA LEU 81 HA LEU 81 -12.897 4.551 4.013 547 HB3 LEU 81 2HB LEU 81 -13.509 4.239 1.786 548 HG LEU 81 HG LEU 81 -16.020 4.139 1.137 549 HD11 LEU 81 1HD1 LEU 81 -15.325 1.483 2.093 550 HD12 LEU 81 2HD1 LEU 81 -13.990 2.288 1.268 551 HD13 LEU 81 3HD1 LEU 81 -15.536 2.077 0.446 552 HD21 LEU 81 3HD2 LEU 81 -16.126 2.768 3.818 553 HD22 LEU 81 1HD2 LEU 81 -17.437 2.940 2.652 554 HD23 LEU 81 2HD2 LEU 81 -16.807 4.361 3.486 555 H ARG 82 H ARG 82 -14.246 6.630 4.241 556 HA ARG 82 HA ARG 82 -16.372 6.228 6.236 557 HB3 ARG 82 2HB ARG 82 -15.520 8.068 7.548 558 HG3 ARG 82 2HG ARG 82 -13.240 6.231 6.850 559 HD3 ARG 82 2HD ARG 82 -12.425 8.117 8.095 560 HE ARG 82 HE ARG 82 -14.898 8.023 9.498 561 HH11 ARG 82 1HH1 ARG 82 -11.532 8.847 9.839 562 HH12 ARG 82 2HH1 ARG 82 -11.809 10.007 11.095 563 HH21 ARG 82 1HH2 ARG 82 -15.274 9.548 11.153 564 HH22 ARG 82 2HH2 ARG 82 -13.938 10.405 11.842 565 H GLY 83 H GLY 83 -17.191 8.745 6.685 566 HA2 GLY 83 2HA GLY 83 -18.853 9.348 4.555 567 HA3 GLY 83 3HA GLY 83 -18.429 10.480 5.831 568 H TYR 84 H TYR 84 -16.497 11.780 5.548 569 HA TYR 84 HA TYR 84 -15.042 11.884 3.144 570 HB3 TYR 84 2HB TYR 84 -17.114 12.596 2.112 571 HD1 TYR 84 1HD TYR 84 -16.353 15.734 3.920 572 HD2 TYR 84 2HD TYR 84 -19.223 12.680 3.188 573 HE1 TYR 84 1HE TYR 84 -18.064 17.077 5.067 574 HE2 TYR 84 2HE TYR 84 -20.943 14.015 4.332 575 HH TYR 84 HH TYR 84 -20.575 16.156 6.343 576 H ALA 85 H ALA 85 -14.172 14.345 2.902 577 HA ALA 85 HA ALA 85 -13.611 15.376 5.595 578 HB1 ALA 85 1HB ALA 85 -11.793 13.824 4.455 579 HB2 ALA 85 2HB ALA 85 -11.369 15.335 3.650 580 HB3 ALA 85 3HB ALA 85 -11.345 15.237 5.411 581 H ASP 86 H ASP 86 -12.006 17.441 5.097 582 HA ASP 86 HA ASP 86 -13.279 19.020 2.971 583 HB3 ASP 86 2HB ASP 86 -13.613 20.897 4.424 584 H LEU 87 H LEU 87 -12.040 21.371 3.187 585 HA LEU 87 HA LEU 87 -9.199 20.675 2.867 586 HB3 LEU 87 2HB LEU 87 -9.848 21.442 0.803 587 HG LEU 87 HG LEU 87 -12.143 22.170 1.310 588 HD11 LEU 87 1HD1 LEU 87 -12.497 24.518 2.023 589 HD12 LEU 87 2HD1 LEU 87 -10.771 24.636 2.365 590 HD13 LEU 87 3HD1 LEU 87 -11.774 23.504 3.271 591 HD21 LEU 87 3HD2 LEU 87 -10.830 24.456 -0.093 592 HD22 LEU 87 1HD2 LEU 87 -12.314 23.592 -0.496 593 HD23 LEU 87 2HD2 LEU 87 -10.746 22.836 -0.785 594 H ARG 88 H ARG 88 -10.619 21.437 5.368 595 HA ARG 88 HA ARG 88 -9.843 24.097 6.042 596 HB3 ARG 88 2HB ARG 88 -11.677 23.014 7.209 597 HG3 ARG 88 2HG ARG 88 -9.828 21.253 8.734 598 HD3 ARG 88 2HD ARG 88 -11.833 19.952 9.066 599 HE ARG 88 HE ARG 88 -11.684 22.573 9.981 600 HH11 ARG 88 1HH1 ARG 88 -14.114 20.145 9.417 601 HH12 ARG 88 2HH1 ARG 88 -15.168 20.722 10.665 602 HH21 ARG 88 1HH2 ARG 88 -13.062 23.343 11.628 603 HH22 ARG 88 2HH2 ARG 88 -14.569 22.543 11.922 604 H GLU 89 H GLU 89 -8.408 20.907 6.489 605 HA GLU 89 HA GLU 89 -5.817 22.128 6.912 606 HB3 GLU 89 2HB GLU 89 -5.609 20.405 8.945 607 HG3 GLU 89 2HG GLU 89 -6.958 23.033 9.461 608 H ASP 90 H ASP 90 -4.160 20.859 6.220 609 HA ASP 90 HA ASP 90 -4.797 18.083 5.481 610 HB3 ASP 90 2HB ASP 90 -3.055 18.661 3.546 611 HA PRO 91 HA PRO 91 -1.047 16.868 7.404 612 HB3 PRO 91 2HB PRO 91 -1.539 14.710 6.790 613 HG3 PRO 91 2HG PRO 91 -2.498 14.239 4.725 614 HD3 PRO 91 2HD PRO 91 -3.914 15.907 5.448 615 H ASP 92 H ASP 92 1.348 16.135 6.635 616 HA ASP 92 HA ASP 92 2.478 18.523 5.496 617 HB3 ASP 92 2HB ASP 92 4.631 17.534 6.037 618 H ARG 93 H ARG 93 1.806 18.548 3.346 619 HA ARG 93 HA ARG 93 2.002 16.416 1.543 620 HB3 ARG 93 2HB ARG 93 1.829 18.111 -0.216 621 HG3 ARG 93 2HG ARG 93 0.093 18.347 2.180 622 HD3 ARG 93 2HD ARG 93 0.223 20.300 -0.085 623 HE ARG 93 HE ARG 93 -2.244 20.339 1.372 624 HH11 ARG 93 1HH1 ARG 93 -0.609 19.037 -1.411 625 HH12 ARG 93 2HH1 ARG 93 -2.069 18.770 -2.306 626 HH21 ARG 93 1HH2 ARG 93 -4.172 19.993 0.204 627 HH22 ARG 93 2HH2 ARG 93 -4.094 19.315 -1.387 628 H GLN 94 H GLN 94 3.442 16.926 -0.587 629 HA GLN 94 HA GLN 94 6.201 16.788 0.389 630 HB3 GLN 94 2HB GLN 94 5.389 14.882 -0.928 631 HG3 GLN 94 2HG GLN 94 3.911 16.429 -2.416 632 HE21 GLN 94 1HE2 GLN 94 6.981 15.411 -3.884 633 HE22 GLN 94 2HE2 GLN 94 7.121 16.769 -4.943 634 H ASP 95 H ASP 95 7.681 17.410 -1.757 635 HA ASP 95 HA ASP 95 6.892 19.785 -3.100 636 HB3 ASP 95 2HB ASP 95 9.070 20.339 -1.127 637 H HIS 96 H HIS 96 7.876 19.489 -4.979 638 HA HIS 96 HA HIS 96 10.740 19.188 -5.105 639 HB3 HIS 96 2HB HIS 96 10.311 17.162 -6.762 640 HD1 HIS 96 1HD HIS 96 12.396 17.899 -4.656 641 HD2 HIS 96 2HD HIS 96 9.626 14.839 -4.187 642 HE1 HIS 96 1HE HIS 96 13.400 16.338 -2.959 643 H HIS 97 H HIS 97 11.584 19.936 -7.006 644 HA HIS 97 HA HIS 97 10.147 21.707 -8.559 645 HB3 HIS 97 2HB HIS 97 12.494 21.897 -8.633 646 HD1 HIS 97 1HD HIS 97 12.393 18.740 -10.727 647 HD2 HIS 97 2HD HIS 97 14.313 20.293 -7.387 648 HE1 HIS 97 1HE HIS 97 14.157 17.053 -10.120 649 HA PRO 98 HA PRO 98 7.834 19.410 -11.495 650 HB3 PRO 98 2HB PRO 98 7.057 21.420 -12.293 651 HG3 PRO 98 2HG PRO 98 8.450 23.278 -12.422 652 HD3 PRO 98 2HD PRO 98 8.852 22.631 -10.247 653 H GLY 99 H GLY 99 7.961 18.688 -13.924 654 HA2 GLY 99 2HA GLY 99 10.432 18.365 -15.206 655 HA3 GLY 99 3HA GLY 99 10.175 16.968 -14.171 656 H SER 100 H SER 100 8.403 18.922 -16.570 657 HA SER 100 HA SER 100 7.632 16.451 -17.929 658 HB3 SER 100 2HB SER 100 5.811 17.107 -16.291 659 HG SER 100 HG SER 100 4.522 18.881 -16.937 660 H GLY 101 H GLY 101 6.787 16.824 -20.103 661 HA2 GLY 101 2HA GLY 101 7.364 19.482 -21.206 662 HA3 GLY 101 3HA GLY 101 8.222 18.100 -21.870 663 H ALA 102 H ALA 102 7.317 18.455 -23.924 664 HA ALA 102 HA ALA 102 4.437 17.857 -24.121 665 HB1 ALA 102 1HB ALA 102 5.398 20.101 -24.985 666 HB2 ALA 102 2HB ALA 102 5.990 19.133 -26.337 667 HB3 ALA 102 3HB ALA 102 4.261 19.207 -25.994 668 H GLN 103 H GLN 103 3.819 16.066 -25.163 669 HA GLN 103 HA GLN 103 5.579 14.024 -25.815 670 HB3 GLN 103 2HB GLN 103 3.588 13.101 -27.142 671 HG3 GLN 103 2HG GLN 103 4.061 12.780 -24.624 672 HE21 GLN 103 1HE2 GLN 103 2.603 12.746 -22.652 673 HE22 GLN 103 2HE2 GLN 103 1.911 14.259 -22.186 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -20.449 16.966 -2.977 2 HA2 GLY 1 2HA GLY 1 -18.674 18.157 -1.270 3 HA3 GLY 1 3HA GLY 1 -18.210 17.483 -2.826 4 H SER 2 H SER 2 -17.645 20.043 -1.090 5 HA SER 2 HA SER 2 -17.753 21.896 -3.380 6 HB3 SER 2 2HB SER 2 -17.768 23.718 -1.559 7 HG SER 2 HG SER 2 -19.855 23.796 -1.875 8 H LEU 3 H LEU 3 -15.619 20.268 -3.209 9 HA LEU 3 HA LEU 3 -13.489 22.094 -2.333 10 HB3 LEU 3 2HB LEU 3 -13.297 20.536 -0.659 11 HG LEU 3 HG LEU 3 -13.363 18.047 -0.999 12 HD11 LEU 3 1HD1 LEU 3 -15.394 18.188 -0.122 13 HD12 LEU 3 2HD1 LEU 3 -16.080 18.683 -1.668 14 HD13 LEU 3 3HD1 LEU 3 -15.423 19.895 -0.568 15 HD21 LEU 3 3HD2 LEU 3 -13.218 18.435 -3.584 16 HD22 LEU 3 1HD2 LEU 3 -14.974 18.551 -3.459 17 HD23 LEU 3 2HD2 LEU 3 -14.147 17.084 -2.933 18 H VAL 4 H VAL 4 -11.440 21.767 -3.448 19 HA VAL 4 HA VAL 4 -11.808 20.586 -6.126 20 HB VAL 4 HB VAL 4 -10.028 22.295 -6.826 21 HG11 VAL 4 1HG1 VAL 4 -11.869 23.034 -7.835 22 HG12 VAL 4 2HG1 VAL 4 -12.889 22.546 -6.479 23 HG13 VAL 4 3HG1 VAL 4 -12.091 24.120 -6.464 24 HG21 VAL 4 3HG2 VAL 4 -9.754 22.836 -4.242 25 HG22 VAL 4 1HG2 VAL 4 -9.487 24.058 -5.486 26 HG23 VAL 4 2HG2 VAL 4 -11.018 24.010 -4.611 27 HA PRO 5 HA PRO 5 -8.258 18.085 -5.490 28 HB3 PRO 5 2HB PRO 5 -8.675 17.169 -7.556 29 HG3 PRO 5 2HG PRO 5 -9.450 18.477 -9.314 30 HD3 PRO 5 2HD PRO 5 -10.940 19.100 -7.670 31 H ARG 6 H ARG 6 -5.903 18.035 -5.576 32 HA ARG 6 HA ARG 6 -4.370 20.267 -6.400 33 HB3 ARG 6 2HB ARG 6 -4.645 20.030 -3.407 34 HG3 ARG 6 2HG ARG 6 -2.640 21.188 -4.654 35 HD3 ARG 6 2HD ARG 6 -4.777 23.317 -4.633 36 HE ARG 6 HE ARG 6 -2.061 23.709 -4.318 37 HH11 ARG 6 1HH1 ARG 6 -4.535 24.648 -6.581 38 HH12 ARG 6 2HH1 ARG 6 -3.766 26.143 -7.001 39 HH21 ARG 6 1HH2 ARG 6 -1.039 25.674 -4.864 40 HH22 ARG 6 2HH2 ARG 6 -1.777 26.726 -6.024 41 H GLY 7 H GLY 7 -2.529 19.325 -6.967 42 HA2 GLY 7 2HA GLY 7 -0.719 18.093 -5.316 43 HA3 GLY 7 3HA GLY 7 -1.736 16.786 -5.904 44 H SER 8 H SER 8 0.775 16.484 -6.545 45 HA SER 8 HA SER 8 1.114 17.563 -9.262 46 HB3 SER 8 2HB SER 8 3.478 17.137 -9.035 47 HG SER 8 HG SER 8 2.946 19.031 -8.027 48 H MET 9 H MET 9 0.945 14.631 -7.357 49 HA MET 9 HA MET 9 1.151 13.039 -9.825 50 HB3 MET 9 2HB MET 9 2.145 11.353 -8.657 51 HG3 MET 9 2HG MET 9 3.570 12.113 -6.825 52 HE1 MET 9 3HE MET 9 5.831 15.086 -8.168 53 HE2 MET 9 1HE MET 9 4.915 14.657 -6.723 54 HE3 MET 9 2HE MET 9 6.097 13.527 -7.385 55 H GLN 10 H GLN 10 -0.536 11.835 -10.489 56 HA GLN 10 HA GLN 10 -2.851 11.591 -8.688 57 HB3 GLN 10 2HB GLN 10 -4.348 11.969 -10.581 58 HG3 GLN 10 2HG GLN 10 -2.370 14.050 -9.869 59 HE21 GLN 10 1HE2 GLN 10 -5.427 14.732 -11.330 60 HE22 GLN 10 2HE2 GLN 10 -4.817 15.573 -12.711 61 H ILE 11 H ILE 11 -4.027 9.696 -8.810 62 HA ILE 11 HA ILE 11 -3.268 7.684 -10.775 63 HB ILE 11 HB ILE 11 -1.955 7.618 -8.405 64 HG13 ILE 11 2HG1 ILE 11 -1.404 6.253 -10.330 65 HG21 ILE 11 1HG2 ILE 11 -2.924 6.152 -6.862 66 HG22 ILE 11 2HG2 ILE 11 -4.243 7.227 -7.325 67 HG23 ILE 11 3HG2 ILE 11 -4.144 5.605 -8.011 68 HD11 ILE 11 3HD1 ILE 11 -1.851 3.954 -8.637 69 HD12 ILE 11 1HD1 ILE 11 -0.341 4.695 -9.167 70 HD13 ILE 11 2HD1 ILE 11 -1.175 5.316 -7.743 71 H PHE 12 H PHE 12 -4.612 5.616 -10.361 72 HA PHE 12 HA PHE 12 -7.362 6.478 -9.792 73 HB3 PHE 12 2HB PHE 12 -7.290 3.913 -11.045 74 HD1 PHE 12 2HD PHE 12 -7.465 7.552 -11.846 75 HD2 PHE 12 1HD PHE 12 -9.248 3.705 -12.227 76 HE1 PHE 12 2HE PHE 12 -9.390 8.561 -13.000 77 HE2 PHE 12 1HE PHE 12 -11.175 4.708 -13.382 78 HZ PHE 12 HZ PHE 12 -11.248 7.140 -13.769 79 H VAL 13 H VAL 13 -8.339 5.752 -8.027 80 HA VAL 13 HA VAL 13 -7.458 3.196 -6.864 81 HB VAL 13 HB VAL 13 -8.086 5.709 -5.310 82 HG11 VAL 13 1HG1 VAL 13 -6.974 3.923 -3.561 83 HG12 VAL 13 2HG1 VAL 13 -8.699 4.259 -3.717 84 HG13 VAL 13 3HG1 VAL 13 -7.987 2.886 -4.565 85 HG21 VAL 13 3HG2 VAL 13 -5.920 6.186 -5.421 86 HG22 VAL 13 1HG2 VAL 13 -5.525 4.610 -4.736 87 HG23 VAL 13 2HG2 VAL 13 -5.673 4.800 -6.483 88 H LYS 14 H LYS 14 -9.052 1.843 -6.281 89 HA LYS 14 HA LYS 14 -11.809 2.884 -6.314 90 HB3 LYS 14 2HB LYS 14 -12.414 0.498 -7.010 91 HG3 LYS 14 2HG LYS 14 -11.481 0.850 -9.410 92 HD3 LYS 14 2HD LYS 14 -13.478 2.470 -7.908 93 HE3 LYS 14 2HE LYS 14 -12.412 4.034 -9.531 94 HZ1 LYS 14 3HZ LYS 14 -11.772 2.957 -11.400 95 HZ2 LYS 14 1HZ LYS 14 -13.312 3.423 -11.922 96 HZ3 LYS 14 2HZ LYS 14 -13.050 1.850 -11.359 97 H THR 15 H THR 15 -12.834 2.738 -4.441 98 HA THR 15 HA THR 15 -11.705 1.286 -2.237 99 HB THR 15 HB THR 15 -13.472 2.209 -0.897 100 HG1 THR 15 1HG THR 15 -14.671 2.946 -3.379 101 HG21 THR 15 3HG2 THR 15 -13.326 4.647 -2.335 102 HG22 THR 15 1HG2 THR 15 -11.795 3.805 -2.564 103 HG23 THR 15 2HG2 THR 15 -12.378 4.148 -0.935 104 H LEU 16 H LEU 16 -13.614 0.184 -0.803 105 HA LEU 16 HA LEU 16 -14.257 -2.206 -2.256 106 HB3 LEU 16 2HB LEU 16 -15.040 -3.069 -0.166 107 HG LEU 16 HG LEU 16 -12.519 -1.500 0.017 108 HD11 LEU 16 1HD1 LEU 16 -13.541 -1.124 2.195 109 HD12 LEU 16 2HD1 LEU 16 -12.172 -2.228 2.323 110 HD13 LEU 16 3HD1 LEU 16 -13.819 -2.856 2.376 111 HD21 LEU 16 3HD2 LEU 16 -13.394 -4.335 -0.067 112 HD22 LEU 16 1HD2 LEU 16 -11.907 -3.957 0.802 113 HD23 LEU 16 2HD2 LEU 16 -12.063 -3.532 -0.901 114 H THR 17 H THR 17 -15.918 0.691 -1.352 115 HA THR 17 HA THR 17 -18.540 -0.453 -1.909 116 HB THR 17 HB THR 17 -18.216 1.160 -0.019 117 HG1 THR 17 1HG THR 17 -20.167 2.186 -0.445 118 HG21 THR 17 3HG2 THR 17 -16.626 2.655 -1.188 119 HG22 THR 17 1HG2 THR 17 -17.995 3.524 -0.497 120 HG23 THR 17 2HG2 THR 17 -17.940 3.199 -2.229 121 H GLY 18 H GLY 18 -16.224 1.810 -3.296 122 HA2 GLY 18 2HA GLY 18 -16.440 1.565 -5.872 123 HA3 GLY 18 3HA GLY 18 -18.025 2.262 -5.574 124 H LYS 19 H LYS 19 -16.403 3.725 -3.283 125 HA LYS 19 HA LYS 19 -16.245 6.208 -4.585 126 HB3 LYS 19 2HB LYS 19 -14.616 6.533 -2.416 127 HG3 LYS 19 2HG LYS 19 -16.625 7.829 -2.749 128 HD3 LYS 19 2HD LYS 19 -17.936 5.193 -2.341 129 HE3 LYS 19 2HE LYS 19 -18.830 6.411 -0.467 130 HZ1 LYS 19 3HZ LYS 19 -20.192 8.527 -1.382 131 HZ2 LYS 19 1HZ LYS 19 -18.788 8.630 -2.320 132 HZ3 LYS 19 2HZ LYS 19 -18.679 8.627 -0.632 133 H THR 20 H THR 20 -14.458 7.478 -5.185 134 HA THR 20 HA THR 20 -11.987 5.953 -5.700 135 HB THR 20 HB THR 20 -12.972 8.209 -7.443 136 HG1 THR 20 1HG THR 20 -14.464 6.784 -7.993 137 HG21 THR 20 3HG2 THR 20 -10.515 7.245 -7.338 138 HG22 THR 20 1HG2 THR 20 -11.265 7.661 -8.878 139 HG23 THR 20 2HG2 THR 20 -11.213 5.980 -8.348 140 H ILE 21 H ILE 21 -10.109 6.846 -5.067 141 HA ILE 21 HA ILE 21 -10.129 9.662 -4.210 142 HB ILE 21 HB ILE 21 -8.388 8.837 -2.460 143 HG13 ILE 21 2HG1 ILE 21 -8.412 6.620 -1.818 144 HG21 ILE 21 1HG2 ILE 21 -10.258 8.381 -0.846 145 HG22 ILE 21 2HG2 ILE 21 -10.418 9.868 -1.780 146 HG23 ILE 21 3HG2 ILE 21 -11.363 8.445 -2.219 147 HD11 ILE 21 3HD1 ILE 21 -11.188 6.557 -2.870 148 HD12 ILE 21 1HD1 ILE 21 -10.270 5.054 -2.794 149 HD13 ILE 21 2HD1 ILE 21 -10.549 5.993 -1.327 150 H THR 22 H THR 22 -8.385 10.863 -4.763 151 HA THR 22 HA THR 22 -6.581 9.778 -6.717 152 HB THR 22 HB THR 22 -6.088 12.470 -5.547 153 HG1 THR 22 1HG THR 22 -8.243 12.054 -7.349 154 HG21 THR 22 3HG2 THR 22 -6.200 12.803 -8.205 155 HG22 THR 22 1HG2 THR 22 -5.825 11.081 -8.149 156 HG23 THR 22 2HG2 THR 22 -4.751 12.244 -7.371 157 H LEU 23 H LEU 23 -4.728 8.793 -6.290 158 HA LEU 23 HA LEU 23 -3.404 9.331 -3.716 159 HB3 LEU 23 2HB LEU 23 -2.249 7.046 -4.720 160 HG LEU 23 HG LEU 23 -3.587 5.732 -3.147 161 HD11 LEU 23 1HD1 LEU 23 -2.450 8.359 -2.271 162 HD12 LEU 23 2HD1 LEU 23 -1.773 6.739 -2.109 163 HD13 LEU 23 3HD1 LEU 23 -3.134 7.230 -1.101 164 HD21 LEU 23 3HD2 LEU 23 -5.750 6.800 -3.528 165 HD22 LEU 23 1HD2 LEU 23 -5.161 8.279 -2.769 166 HD23 LEU 23 2HD2 LEU 23 -5.331 6.805 -1.815 167 H GLU 24 H GLU 24 -1.058 9.307 -3.693 168 HA GLU 24 HA GLU 24 0.030 10.501 -6.137 169 HB3 GLU 24 2HB GLU 24 0.636 10.738 -3.239 170 HG3 GLU 24 2HG GLU 24 2.720 11.069 -5.378 171 H VAL 25 H VAL 25 2.036 9.842 -6.997 172 HA VAL 25 HA VAL 25 3.075 7.266 -6.046 173 HB VAL 25 HB VAL 25 2.776 7.789 -8.989 174 HG11 VAL 25 1HG1 VAL 25 2.555 5.067 -8.322 175 HG12 VAL 25 2HG1 VAL 25 3.910 5.882 -9.103 176 HG13 VAL 25 3HG1 VAL 25 3.875 5.714 -7.349 177 HG21 VAL 25 3HG2 VAL 25 0.728 6.427 -8.957 178 HG22 VAL 25 1HG2 VAL 25 0.771 6.426 -7.194 179 HG23 VAL 25 2HG2 VAL 25 0.533 7.938 -8.068 180 H GLU 26 H GLU 26 5.259 6.844 -6.596 181 HA GLU 26 HA GLU 26 6.881 8.514 -8.158 182 HB3 GLU 26 2HB GLU 26 8.005 9.178 -5.661 183 HG3 GLU 26 2HG GLU 26 6.497 10.852 -7.651 184 HA PRO 27 HA PRO 27 9.480 5.013 -7.561 185 HB3 PRO 27 2HB PRO 27 10.448 5.579 -9.566 186 HG3 PRO 27 2HG PRO 27 10.709 7.805 -10.186 187 HD3 PRO 27 2HD PRO 27 8.484 7.819 -9.587 188 H SER 28 H SER 28 10.382 8.146 -6.263 189 HA SER 28 HA SER 28 12.199 6.844 -4.354 190 HB3 SER 28 2HB SER 28 12.196 9.430 -5.708 191 HG SER 28 HG SER 28 12.957 9.456 -2.986 192 H ASP 29 H ASP 29 9.073 7.950 -4.615 193 HA ASP 29 HA ASP 29 8.898 8.606 -1.751 194 HB3 ASP 29 2HB ASP 29 6.600 9.059 -3.595 195 H THR 30 H THR 30 8.045 7.152 -0.429 196 HA THR 30 HA THR 30 6.693 4.823 -1.560 197 HB THR 30 HB THR 30 8.554 4.506 0.072 198 HG1 THR 30 1HG THR 30 6.236 3.519 1.316 199 HG21 THR 30 3HG2 THR 30 7.063 4.928 2.472 200 HG22 THR 30 1HG2 THR 30 7.098 6.431 1.552 201 HG23 THR 30 2HG2 THR 30 8.607 5.631 1.994 202 H ILE 31 H ILE 31 4.903 3.904 -0.068 203 HA ILE 31 HA ILE 31 2.679 5.558 -0.204 204 HB ILE 31 HB ILE 31 2.993 3.261 1.728 205 HG13 ILE 31 2HG1 ILE 31 2.023 1.892 -0.151 206 HG21 ILE 31 1HG2 ILE 31 0.690 4.787 0.619 207 HG22 ILE 31 2HG2 ILE 31 0.482 3.072 0.973 208 HG23 ILE 31 3HG2 ILE 31 0.964 4.186 2.254 209 HD11 ILE 31 3HD1 ILE 31 2.256 2.627 -2.416 210 HD12 ILE 31 1HD1 ILE 31 1.226 3.768 -1.552 211 HD13 ILE 31 2HD1 ILE 31 2.907 4.180 -1.891 212 H GLU 32 H GLU 32 5.113 5.328 2.241 213 HA GLU 32 HA GLU 32 3.825 6.233 4.505 214 HB3 GLU 32 2HB GLU 32 6.565 7.186 3.682 215 HG3 GLU 32 2HG GLU 32 5.236 6.656 6.311 216 H ASN 33 H ASN 33 5.441 8.250 2.047 217 HA ASN 33 HA ASN 33 4.373 10.673 3.163 218 HB3 ASN 33 2HB ASN 33 5.442 10.724 0.405 219 HD21 ASN 33 1HD2 ASN 33 7.771 11.635 2.512 220 HD22 ASN 33 2HD2 ASN 33 7.372 13.307 2.688 221 H VAL 34 H VAL 34 3.632 8.575 0.436 222 HA VAL 34 HA VAL 34 1.867 10.153 -0.988 223 HB VAL 34 HB VAL 34 1.602 7.186 -0.487 224 HG11 VAL 34 1HG1 VAL 34 0.609 8.804 -2.827 225 HG12 VAL 34 2HG1 VAL 34 0.317 7.093 -2.500 226 HG13 VAL 34 3HG1 VAL 34 -0.398 8.326 -1.460 227 HG21 VAL 34 3HG2 VAL 34 3.356 6.844 -1.815 228 HG22 VAL 34 1HG2 VAL 34 2.727 7.954 -3.032 229 HG23 VAL 34 2HG2 VAL 34 3.696 8.570 -1.694 230 H LYS 35 H LYS 35 1.369 8.428 2.018 231 HA LYS 35 HA LYS 35 -1.389 8.388 2.188 232 HB3 LYS 35 2HB LYS 35 0.414 7.498 3.826 233 HG3 LYS 35 2HG LYS 35 -0.219 10.058 5.263 234 HD3 LYS 35 2HD LYS 35 1.558 7.691 5.781 235 HE3 LYS 35 2HE LYS 35 1.589 10.148 7.488 236 HZ1 LYS 35 3HZ LYS 35 2.645 8.432 8.565 237 HZ2 LYS 35 1HZ LYS 35 3.947 9.167 7.774 238 HZ3 LYS 35 2HZ LYS 35 3.264 7.754 7.145 239 H ALA 36 H ALA 36 0.791 11.078 2.443 240 HA ALA 36 HA ALA 36 -0.951 12.890 3.751 241 HB1 ALA 36 1HB ALA 36 0.639 14.525 3.328 242 HB2 ALA 36 2HB ALA 36 1.599 13.045 3.367 243 HB3 ALA 36 3HB ALA 36 1.161 13.771 1.821 244 H LYS 37 H LYS 37 -0.546 11.915 0.420 245 HA LYS 37 HA LYS 37 -2.059 14.061 -0.709 246 HB3 LYS 37 2HB LYS 37 -2.147 11.800 -2.422 247 HG3 LYS 37 2HG LYS 37 -1.632 14.337 -2.835 248 HD3 LYS 37 2HD LYS 37 1.096 13.696 -3.426 249 HE3 LYS 37 2HE LYS 37 -0.062 15.946 -3.170 250 HZ1 LYS 37 3HZ LYS 37 -1.088 15.842 -1.096 251 HZ2 LYS 37 1HZ LYS 37 0.260 16.827 -0.824 252 HZ3 LYS 37 2HZ LYS 37 0.280 15.210 -0.329 253 H ILE 38 H ILE 38 -2.779 10.671 0.072 254 HA ILE 38 HA ILE 38 -5.524 10.885 -0.728 255 HB ILE 38 HB ILE 38 -4.436 8.729 -0.851 256 HG13 ILE 38 2HG1 ILE 38 -6.259 7.519 -0.203 257 HG21 ILE 38 1HG2 ILE 38 -4.046 9.063 2.114 258 HG22 ILE 38 2HG2 ILE 38 -3.869 7.521 1.278 259 HG23 ILE 38 3HG2 ILE 38 -2.808 8.870 0.874 260 HD11 ILE 38 3HD1 ILE 38 -6.037 8.904 2.436 261 HD12 ILE 38 1HD1 ILE 38 -7.507 8.044 1.979 262 HD13 ILE 38 2HD1 ILE 38 -5.973 7.180 2.070 263 H GLN 39 H GLN 39 -3.736 11.330 2.226 264 HA GLN 39 HA GLN 39 -5.674 11.033 4.161 265 HB3 GLN 39 2HB GLN 39 -3.397 12.997 3.949 266 HG3 GLN 39 2HG GLN 39 -5.075 13.923 5.492 267 HE21 GLN 39 1HE2 GLN 39 -6.335 13.777 7.310 268 HE22 GLN 39 2HE2 GLN 39 -6.719 12.277 8.075 269 H ASP 40 H ASP 40 -5.139 13.750 1.982 270 HA ASP 40 HA ASP 40 -7.134 15.410 3.206 271 HB3 ASP 40 2HB ASP 40 -5.516 15.579 0.677 272 H LYS 41 H LYS 41 -7.082 12.975 0.741 273 HA LYS 41 HA LYS 41 -9.540 13.697 -0.517 274 HB3 LYS 41 2HB LYS 41 -9.373 11.599 -1.673 275 HG3 LYS 41 2HG LYS 41 -7.037 11.542 -2.462 276 HD3 LYS 41 2HD LYS 41 -8.580 14.080 -2.243 277 HE3 LYS 41 2HE LYS 41 -5.723 13.844 -3.028 278 HZ1 LYS 41 3HZ LYS 41 -6.886 14.382 -5.108 279 HZ2 LYS 41 1HZ LYS 41 -5.918 15.659 -4.566 280 HZ3 LYS 41 2HZ LYS 41 -7.595 15.724 -4.360 281 H GLU 42 H GLU 42 -8.686 11.042 1.712 282 HA GLU 42 HA GLU 42 -11.472 11.084 2.664 283 HB3 GLU 42 2HB GLU 42 -10.956 8.540 3.109 284 HG3 GLU 42 2HG GLU 42 -11.573 9.550 0.341 285 H GLY 43 H GLY 43 -8.083 10.495 3.390 286 HA2 GLY 43 2HA GLY 43 -7.075 11.177 5.426 287 HA3 GLY 43 3HA GLY 43 -8.650 11.096 6.202 288 H ILE 44 H ILE 44 -7.360 8.550 4.169 289 HA ILE 44 HA ILE 44 -7.387 6.770 6.499 290 HB ILE 44 HB ILE 44 -7.190 5.930 3.613 291 HG13 ILE 44 2HG1 ILE 44 -9.636 5.528 3.726 292 HG21 ILE 44 1HG2 ILE 44 -6.794 4.489 5.875 293 HG22 ILE 44 2HG2 ILE 44 -8.517 4.233 5.605 294 HG23 ILE 44 3HG2 ILE 44 -7.356 3.813 4.346 295 HD11 ILE 44 3HD1 ILE 44 -10.210 7.422 5.816 296 HD12 ILE 44 1HD1 ILE 44 -10.875 5.813 5.536 297 HD13 ILE 44 2HD1 ILE 44 -9.376 6.002 6.447 298 HA PRO 45 HA PRO 45 -2.905 7.106 6.269 299 HB3 PRO 45 2HB PRO 45 -2.942 7.527 8.527 300 HG3 PRO 45 2HG PRO 45 -4.649 6.701 9.873 301 HD3 PRO 45 2HD PRO 45 -5.899 7.662 8.192 302 HA PRO 46 HA PRO 46 -1.618 3.155 4.830 303 HB3 PRO 46 2HB PRO 46 0.476 4.046 4.508 304 HG3 PRO 46 2HG PRO 46 1.386 5.552 6.029 305 HD3 PRO 46 2HD PRO 46 -0.678 6.523 5.696 306 H ASP 47 H ASP 47 -1.375 3.753 8.271 307 HA ASP 47 HA ASP 47 -0.969 0.985 8.958 308 HB3 ASP 47 2HB ASP 47 -1.149 1.728 11.265 309 H GLN 48 H GLN 48 -3.659 3.056 8.368 310 HA GLN 48 HA GLN 48 -5.500 1.064 9.506 311 HB3 GLN 48 2HB GLN 48 -6.273 3.830 8.607 312 HG3 GLN 48 2HG GLN 48 -8.140 2.391 9.075 313 HE21 GLN 48 1HE2 GLN 48 -6.372 2.772 12.134 314 HE22 GLN 48 2HE2 GLN 48 -6.768 1.209 12.753 315 H GLN 49 H GLN 49 -4.039 1.484 6.728 316 HA GLN 49 HA GLN 49 -6.375 0.630 5.171 317 HB3 GLN 49 2HB GLN 49 -5.470 3.110 4.832 318 HG3 GLN 49 2HG GLN 49 -3.945 1.711 2.676 319 HE21 GLN 49 1HE2 GLN 49 -1.779 3.468 2.917 320 HE22 GLN 49 2HE2 GLN 49 -2.302 5.045 2.444 321 H ARG 50 H ARG 50 -5.976 -0.909 3.599 322 HA ARG 50 HA ARG 50 -3.486 -2.365 3.921 323 HB3 ARG 50 2HB ARG 50 -4.555 -4.166 2.799 324 HG3 ARG 50 2HG ARG 50 -6.953 -2.972 4.109 325 HD3 ARG 50 2HD ARG 50 -5.663 -5.698 4.202 326 HE ARG 50 HE ARG 50 -8.372 -5.489 5.075 327 HH11 ARG 50 1HH1 ARG 50 -5.061 -5.137 6.088 328 HH12 ARG 50 2HH1 ARG 50 -5.401 -5.450 7.757 329 HH21 ARG 50 1HH2 ARG 50 -8.834 -5.902 7.270 330 HH22 ARG 50 2HH2 ARG 50 -7.548 -5.885 8.429 331 H LEU 51 H LEU 51 -2.986 -3.537 1.578 332 HA LEU 51 HA LEU 51 -2.595 -1.346 -0.348 333 HB3 LEU 51 2HB LEU 51 -0.488 -3.335 -0.411 334 HG LEU 51 HG LEU 51 -0.250 -0.384 0.164 335 HD11 LEU 51 1HD1 LEU 51 2.010 -0.586 -0.233 336 HD12 LEU 51 2HD1 LEU 51 1.828 -2.099 -1.121 337 HD13 LEU 51 3HD1 LEU 51 1.662 -2.083 0.634 338 HD21 LEU 51 3HD2 LEU 51 0.281 -0.205 -2.254 339 HD22 LEU 51 1HD2 LEU 51 -1.394 -0.653 -1.930 340 HD23 LEU 51 2HD2 LEU 51 -0.239 -1.880 -2.454 341 H ILE 52 H ILE 52 -3.045 -1.815 -2.421 342 HA ILE 52 HA ILE 52 -3.383 -4.637 -3.176 343 HB ILE 52 HB ILE 52 -5.275 -2.492 -4.115 344 HG13 ILE 52 2HG1 ILE 52 -6.887 -3.261 -2.473 345 HG21 ILE 52 1HG2 ILE 52 -6.675 -4.672 -4.410 346 HG22 ILE 52 2HG2 ILE 52 -5.438 -4.250 -5.593 347 HG23 ILE 52 3HG2 ILE 52 -5.099 -5.461 -4.356 348 HD11 ILE 52 3HD1 ILE 52 -6.659 -5.384 -1.793 349 HD12 ILE 52 1HD1 ILE 52 -4.904 -5.367 -1.971 350 HD13 ILE 52 2HD1 ILE 52 -5.653 -4.662 -0.538 351 H PHE 53 H PHE 53 -2.049 -5.071 -4.792 352 HA PHE 53 HA PHE 53 -1.680 -3.050 -6.899 353 HB3 PHE 53 2HB PHE 53 0.430 -4.705 -5.518 354 HD1 PHE 53 2HD PHE 53 -0.231 -2.646 -8.538 355 HD2 PHE 53 1HD PHE 53 2.448 -5.266 -6.518 356 HE1 PHE 53 2HE PHE 53 1.183 -2.746 -10.549 357 HE2 PHE 53 1HE PHE 53 3.867 -5.369 -8.526 358 HZ PHE 53 HZ PHE 53 3.234 -4.109 -10.546 359 H ALA 54 H ALA 54 -2.608 -3.853 -8.660 360 HA ALA 54 HA ALA 54 -3.266 -5.285 -10.305 361 HB1 ALA 54 1HB ALA 54 -0.581 -5.439 -10.165 362 HB2 ALA 54 2HB ALA 54 -1.006 -7.131 -9.903 363 HB3 ALA 54 3HB ALA 54 -1.552 -6.299 -11.360 364 H GLY 55 H GLY 55 -4.212 -5.818 -7.614 365 HA2 GLY 55 2HA GLY 55 -5.760 -7.425 -6.896 366 HA3 GLY 55 3HA GLY 55 -5.087 -8.561 -8.056 367 H LYS 56 H LYS 56 -2.375 -7.567 -6.823 368 HA LYS 56 HA LYS 56 -2.350 -9.636 -4.748 369 HB3 LYS 56 2HB LYS 56 0.120 -8.280 -5.761 370 HG3 LYS 56 2HG LYS 56 0.037 -10.130 -3.959 371 HD3 LYS 56 2HD LYS 56 -1.434 -11.532 -5.621 372 HE3 LYS 56 2HE LYS 56 0.302 -13.251 -6.618 373 HZ1 LYS 56 3HZ LYS 56 -0.450 -12.521 -8.567 374 HZ2 LYS 56 1HZ LYS 56 0.215 -10.978 -8.367 375 HZ3 LYS 56 2HZ LYS 56 -1.293 -11.342 -7.695 376 H GLN 57 H GLN 57 -2.183 -9.145 -2.659 377 HA GLN 57 HA GLN 57 -2.005 -6.373 -1.864 378 HB3 GLN 57 2HB GLN 57 -3.625 -7.796 -0.753 379 HG3 GLN 57 2HG GLN 57 -1.662 -9.310 0.810 380 HE21 GLN 57 1HE2 GLN 57 -2.657 -11.802 -0.022 381 HE22 GLN 57 2HE2 GLN 57 -4.311 -11.911 0.462 382 H LEU 58 H LEU 58 -0.509 -5.583 -0.271 383 HA LEU 58 HA LEU 58 2.020 -7.085 -0.151 384 HB3 LEU 58 2HB LEU 58 3.275 -5.070 -0.482 385 HG LEU 58 HG LEU 58 2.140 -6.182 -2.577 386 HD11 LEU 58 1HD1 LEU 58 0.186 -4.365 -1.984 387 HD12 LEU 58 2HD1 LEU 58 0.435 -5.121 -3.558 388 HD13 LEU 58 3HD1 LEU 58 1.113 -3.526 -3.228 389 HD21 LEU 58 3HD2 LEU 58 3.445 -4.792 -3.961 390 HD22 LEU 58 1HD2 LEU 58 4.268 -4.814 -2.401 391 HD23 LEU 58 2HD2 LEU 58 3.291 -3.419 -2.862 392 H GLU 59 H GLU 59 3.491 -5.421 1.418 393 HA GLU 59 HA GLU 59 1.981 -4.607 3.738 394 HB3 GLU 59 2HB GLU 59 3.893 -6.942 3.933 395 HG3 GLU 59 2HG GLU 59 3.889 -5.416 5.915 396 H ASP 60 H ASP 60 5.253 -5.543 2.679 397 HA ASP 60 HA ASP 60 6.731 -3.902 4.333 398 HB3 ASP 60 2HB ASP 60 8.070 -3.851 1.867 399 H GLY 61 H GLY 61 7.495 -1.806 4.243 400 HA2 GLY 61 2HA GLY 61 6.013 -0.038 2.403 401 HA3 GLY 61 3HA GLY 61 6.591 0.431 3.996 402 H ARG 62 H ARG 62 7.556 -0.297 0.696 403 HA ARG 62 HA ARG 62 9.983 1.306 1.141 404 HB3 ARG 62 2HB ARG 62 11.177 -0.164 -0.457 405 HG3 ARG 62 2HG ARG 62 11.112 -2.308 0.985 406 HD3 ARG 62 2HD ARG 62 11.756 0.130 2.584 407 HE ARG 62 HE ARG 62 12.512 -2.449 2.890 408 HH11 ARG 62 1HH1 ARG 62 14.237 0.473 2.110 409 HH12 ARG 62 2HH1 ARG 62 15.715 -0.047 2.851 410 HH21 ARG 62 1HH2 ARG 62 14.451 -3.145 3.868 411 HH22 ARG 62 2HH2 ARG 62 15.836 -2.105 3.850 412 H THR 63 H THR 63 10.933 2.042 -1.016 413 HA THR 63 HA THR 63 8.864 3.411 -2.458 414 HB THR 63 HB THR 63 10.590 4.589 -3.587 415 HG1 THR 63 1HG THR 63 12.767 3.855 -3.524 416 HG21 THR 63 3HG2 THR 63 11.785 5.546 -1.810 417 HG22 THR 63 1HG2 THR 63 11.855 4.027 -0.919 418 HG23 THR 63 2HG2 THR 63 10.330 4.903 -1.050 419 H LEU 64 H LEU 64 8.666 3.394 -4.801 420 HA LEU 64 HA LEU 64 8.365 0.781 -5.830 421 HB3 LEU 64 2HB LEU 64 7.521 1.777 -7.766 422 HG LEU 64 HG LEU 64 7.061 4.024 -5.814 423 HD11 LEU 64 1HD1 LEU 64 5.991 3.259 -8.412 424 HD12 LEU 64 2HD1 LEU 64 5.890 4.792 -7.550 425 HD13 LEU 64 3HD1 LEU 64 4.744 3.503 -7.189 426 HD21 LEU 64 3HD2 LEU 64 6.029 1.232 -5.851 427 HD22 LEU 64 1HD2 LEU 64 4.934 2.536 -5.393 428 HD23 LEU 64 2HD2 LEU 64 6.423 2.274 -4.484 429 H SER 65 H SER 65 10.867 3.219 -6.176 430 HA SER 65 HA SER 65 12.260 1.915 -8.293 431 HB3 SER 65 2HB SER 65 13.142 4.020 -6.307 432 HG SER 65 HG SER 65 14.572 4.008 -8.558 433 H GLU 66 H GLU 66 12.421 1.801 -4.789 434 HA GLU 66 HA GLU 66 14.839 0.271 -4.691 435 HB3 GLU 66 2HB GLU 66 13.975 -0.159 -2.277 436 HG3 GLU 66 2HG GLU 66 14.309 2.361 -1.711 437 H TYR 67 H TYR 67 11.388 -0.470 -4.525 438 HA TYR 67 HA TYR 67 11.899 -3.303 -4.194 439 HB3 TYR 67 2HB TYR 67 9.159 -2.611 -4.867 440 HD1 TYR 67 1HD TYR 67 10.569 -5.163 -4.332 441 HD2 TYR 67 2HD TYR 67 8.678 -2.440 -1.665 442 HE1 TYR 67 1HE TYR 67 10.166 -7.003 -2.749 443 HE2 TYR 67 2HE TYR 67 8.272 -4.271 -0.074 444 HH TYR 67 HH TYR 67 8.142 -6.618 0.037 445 H ASN 68 H ASN 68 11.845 -1.177 -6.753 446 HA ASN 68 HA ASN 68 11.640 -1.373 -9.016 447 HB3 ASN 68 2HB ASN 68 12.571 -3.435 -9.978 448 HD21 ASN 68 1HD2 ASN 68 13.876 -1.397 -9.999 449 HD22 ASN 68 2HD2 ASN 68 15.332 -1.387 -9.068 450 H ILE 69 H ILE 69 9.194 -1.437 -7.903 451 HA ILE 69 HA ILE 69 7.790 -3.615 -9.308 452 HB ILE 69 HB ILE 69 5.851 -2.981 -7.770 453 HG13 ILE 69 2HG1 ILE 69 6.724 -0.846 -6.977 454 HG21 ILE 69 1HG2 ILE 69 7.906 -4.036 -5.977 455 HG22 ILE 69 2HG2 ILE 69 6.403 -4.769 -6.539 456 HG23 ILE 69 3HG2 ILE 69 7.847 -4.831 -7.549 457 HD11 ILE 69 3HD1 ILE 69 5.382 -2.410 -5.404 458 HD12 ILE 69 1HD1 ILE 69 6.916 -2.561 -4.548 459 HD13 ILE 69 2HD1 ILE 69 6.173 -0.974 -4.752 460 H GLN 70 H GLN 70 5.681 -3.054 -10.229 461 HA GLN 70 HA GLN 70 5.783 -0.401 -11.462 462 HB3 GLN 70 2HB GLN 70 3.986 -1.426 -12.969 463 HG3 GLN 70 2HG GLN 70 6.639 -2.842 -12.977 464 HE21 GLN 70 1HE2 GLN 70 5.892 -1.158 -15.729 465 HE22 GLN 70 2HE2 GLN 70 5.264 -2.453 -16.685 466 H LYS 71 H LYS 71 5.054 0.269 -9.163 467 HA LYS 71 HA LYS 71 2.175 -0.023 -8.778 468 HB3 LYS 71 2HB LYS 71 2.830 1.474 -6.702 469 HG3 LYS 71 2HG LYS 71 3.694 -1.406 -6.876 470 HD3 LYS 71 2HD LYS 71 4.372 0.149 -4.868 471 HE3 LYS 71 2HE LYS 71 1.517 -0.577 -4.210 472 HZ1 LYS 71 3HZ LYS 71 2.006 0.703 -2.164 473 HZ2 LYS 71 1HZ LYS 71 3.643 0.714 -2.591 474 HZ3 LYS 71 2HZ LYS 71 2.864 -0.752 -2.267 475 H GLU 72 H GLU 72 3.717 1.719 -10.834 476 HA GLU 72 HA GLU 72 2.495 4.304 -10.161 477 HB3 GLU 72 2HB GLU 72 4.916 4.296 -10.698 478 HG3 GLU 72 2HG GLU 72 4.495 4.041 -13.577 479 H SER 73 H SER 73 0.804 2.226 -10.979 480 HA SER 73 HA SER 73 -0.156 3.316 -13.533 481 HB3 SER 73 2HB SER 73 0.243 0.419 -12.814 482 HG SER 73 HG SER 73 -1.423 1.436 -14.875 483 H THR 74 H THR 74 -1.342 0.687 -11.472 484 HA THR 74 HA THR 74 -3.647 2.350 -10.731 485 HB THR 74 HB THR 74 -4.393 -0.435 -11.124 486 HG1 THR 74 1HG THR 74 -3.861 1.003 -13.508 487 HG21 THR 74 3HG2 THR 74 -5.737 1.839 -10.896 488 HG22 THR 74 1HG2 THR 74 -6.371 0.481 -11.827 489 HG23 THR 74 2HG2 THR 74 -5.582 1.825 -12.652 490 H LEU 75 H LEU 75 -3.541 2.499 -8.586 491 HA LEU 75 HA LEU 75 -3.118 0.032 -7.042 492 HB3 LEU 75 2HB LEU 75 -2.209 2.065 -5.407 493 HG LEU 75 HG LEU 75 0.145 1.281 -6.061 494 HD11 LEU 75 1HD1 LEU 75 -2.015 -0.102 -4.664 495 HD12 LEU 75 2HD1 LEU 75 -0.364 0.240 -4.149 496 HD13 LEU 75 3HD1 LEU 75 -0.697 -1.159 -5.169 497 HD21 LEU 75 3HD2 LEU 75 0.432 -0.460 -7.521 498 HD22 LEU 75 1HD2 LEU 75 -0.898 0.393 -8.306 499 HD23 LEU 75 2HD2 LEU 75 -1.224 -1.040 -7.330 500 H HIS 76 H HIS 76 -4.397 -0.244 -5.259 501 HA HIS 76 HA HIS 76 -6.234 1.931 -4.542 502 HB3 HIS 76 2HB HIS 76 -8.116 0.763 -4.997 503 HD1 HIS 76 1HD HIS 76 -7.703 1.398 -7.506 504 HD2 HIS 76 2HD HIS 76 -6.376 -2.386 -6.420 505 HE1 HIS 76 1HE HIS 76 -7.285 0.187 -9.669 506 H LEU 77 H LEU 77 -5.708 2.383 -2.504 507 HA LEU 77 HA LEU 77 -5.512 0.147 -0.601 508 HB3 LEU 77 2HB LEU 77 -3.309 0.726 -0.624 509 HG LEU 77 HG LEU 77 -4.161 3.361 -1.601 510 HD11 LEU 77 1HD1 LEU 77 -2.018 4.408 -0.814 511 HD12 LEU 77 2HD1 LEU 77 -1.875 3.077 0.335 512 HD13 LEU 77 3HD1 LEU 77 -3.248 4.179 0.430 513 HD21 LEU 77 3HD2 LEU 77 -1.464 2.153 -1.970 514 HD22 LEU 77 1HD2 LEU 77 -2.468 3.047 -3.111 515 HD23 LEU 77 2HD2 LEU 77 -2.858 1.372 -2.719 516 H VAL 78 H VAL 78 -7.551 0.387 0.229 517 HA VAL 78 HA VAL 78 -7.938 2.670 1.984 518 HB VAL 78 HB VAL 78 -9.011 3.100 -0.356 519 HG11 VAL 78 1HG1 VAL 78 -11.118 1.344 0.895 520 HG12 VAL 78 2HG1 VAL 78 -11.247 2.228 -0.626 521 HG13 VAL 78 3HG1 VAL 78 -10.107 0.889 -0.476 522 HG21 VAL 78 3HG2 VAL 78 -10.995 4.181 0.810 523 HG22 VAL 78 1HG2 VAL 78 -10.367 3.474 2.299 524 HG23 VAL 78 2HG2 VAL 78 -9.392 4.631 1.394 525 H LEU 79 H LEU 79 -9.122 2.188 3.780 526 HA LEU 79 HA LEU 79 -10.204 -0.548 3.941 527 HB3 LEU 79 2HB LEU 79 -9.097 1.117 6.197 528 HG LEU 79 HG LEU 79 -10.637 -0.671 6.955 529 HD11 LEU 79 1HD1 LEU 79 -9.835 -3.020 6.717 530 HD12 LEU 79 2HD1 LEU 79 -8.665 -2.447 5.530 531 HD13 LEU 79 3HD1 LEU 79 -10.392 -2.287 5.214 532 HD21 LEU 79 3HD2 LEU 79 -8.958 -0.036 8.486 533 HD22 LEU 79 1HD2 LEU 79 -7.703 -0.886 7.584 534 HD23 LEU 79 2HD2 LEU 79 -8.936 -1.800 8.455 535 H ARG 80 H ARG 80 -12.349 -0.485 3.869 536 HA ARG 80 HA ARG 80 -14.501 0.274 4.082 537 HB3 ARG 80 2HB ARG 80 -13.595 0.913 6.890 538 HG3 ARG 80 2HG ARG 80 -16.224 0.372 5.631 539 HD3 ARG 80 2HD ARG 80 -16.953 -0.166 8.082 540 HE ARG 80 HE ARG 80 -16.247 -1.931 5.963 541 HH11 ARG 80 1HH1 ARG 80 -17.199 -1.833 9.310 542 HH12 ARG 80 2HH1 ARG 80 -17.903 -3.416 9.291 543 HH21 ARG 80 1HH2 ARG 80 -17.171 -4.016 5.925 544 HH22 ARG 80 2HH2 ARG 80 -17.886 -4.657 7.365 545 H LEU 81 H LEU 81 -14.017 2.107 2.645 546 HA LEU 81 HA LEU 81 -13.239 4.636 3.410 547 HB3 LEU 81 2HB LEU 81 -13.718 3.800 1.085 548 HG LEU 81 HG LEU 81 -15.806 3.977 0.062 549 HD11 LEU 81 1HD1 LEU 81 -16.405 2.816 2.777 550 HD12 LEU 81 2HD1 LEU 81 -15.561 1.969 1.481 551 HD13 LEU 81 3HD1 LEU 81 -17.240 2.463 1.265 552 HD21 LEU 81 3HD2 LEU 81 -16.266 6.095 1.646 553 HD22 LEU 81 1HD2 LEU 81 -17.319 4.910 2.420 554 HD23 LEU 81 2HD2 LEU 81 -17.527 5.291 0.710 555 H ARG 82 H ARG 82 -14.717 6.614 3.450 556 HA ARG 82 HA ARG 82 -17.365 6.489 4.325 557 HB3 ARG 82 2HB ARG 82 -16.014 7.310 6.749 558 HG3 ARG 82 2HG ARG 82 -17.614 4.875 6.855 559 HD3 ARG 82 2HD ARG 82 -17.955 7.617 8.063 560 HE ARG 82 HE ARG 82 -19.789 5.624 8.138 561 HH11 ARG 82 1HH1 ARG 82 -17.712 7.079 10.524 562 HH12 ARG 82 2HH1 ARG 82 -18.805 6.797 11.838 563 HH21 ARG 82 1HH2 ARG 82 -21.236 5.245 9.860 564 HH22 ARG 82 2HH2 ARG 82 -20.809 5.752 11.460 565 H GLY 83 H GLY 83 -18.251 8.541 4.721 566 HA2 GLY 83 2HA GLY 83 -18.386 10.830 4.578 567 HA3 GLY 83 3HA GLY 83 -16.734 10.877 5.174 568 H TYR 84 H TYR 84 -17.814 12.651 3.250 569 HA TYR 84 HA TYR 84 -16.779 11.793 0.675 570 HB3 TYR 84 2HB TYR 84 -17.689 13.859 -0.190 571 HD1 TYR 84 1HD TYR 84 -19.708 13.496 2.878 572 HD2 TYR 84 2HD TYR 84 -19.272 12.395 -1.208 573 HE1 TYR 84 1HE TYR 84 -21.981 12.558 2.895 574 HE2 TYR 84 2HE TYR 84 -21.544 11.453 -1.203 575 HH TYR 84 HH TYR 84 -23.640 11.710 0.064 576 H ALA 85 H ALA 85 -15.713 13.996 -0.430 577 HA ALA 85 HA ALA 85 -13.072 14.007 0.476 578 HB1 ALA 85 1HB ALA 85 -14.455 16.070 -1.237 579 HB2 ALA 85 2HB ALA 85 -12.711 15.846 -1.087 580 HB3 ALA 85 3HB ALA 85 -13.705 14.582 -1.813 581 H ASP 86 H ASP 86 -12.035 16.416 0.729 582 HA ASP 86 HA ASP 86 -13.477 17.729 2.933 583 HB3 ASP 86 2HB ASP 86 -11.064 18.131 3.853 584 H LEU 87 H LEU 87 -12.988 19.958 3.251 585 HA LEU 87 HA LEU 87 -12.073 21.265 0.789 586 HB3 LEU 87 2HB LEU 87 -13.417 23.085 1.321 587 HG LEU 87 HG LEU 87 -14.762 20.807 1.116 588 HD11 LEU 87 1HD1 LEU 87 -16.338 21.394 3.365 589 HD12 LEU 87 2HD1 LEU 87 -14.674 21.274 3.939 590 HD13 LEU 87 3HD1 LEU 87 -15.398 19.934 3.050 591 HD21 LEU 87 3HD2 LEU 87 -15.343 23.429 0.818 592 HD22 LEU 87 1HD2 LEU 87 -16.470 22.992 2.102 593 HD23 LEU 87 2HD2 LEU 87 -16.504 22.124 0.567 594 H ARG 88 H ARG 88 -11.308 20.820 4.120 595 HA ARG 88 HA ARG 88 -9.050 22.686 3.825 596 HB3 ARG 88 2HB ARG 88 -10.214 22.166 6.525 597 HG3 ARG 88 2HG ARG 88 -9.624 24.576 6.830 598 HD3 ARG 88 2HD ARG 88 -7.281 22.915 5.928 599 HE ARG 88 HE ARG 88 -6.210 24.666 6.915 600 HH11 ARG 88 1HH1 ARG 88 -9.134 24.019 8.690 601 HH12 ARG 88 2HH1 ARG 88 -8.798 25.188 9.924 602 HH21 ARG 88 1HH2 ARG 88 -5.757 26.209 8.533 603 HH22 ARG 88 2HH2 ARG 88 -6.878 26.434 9.833 604 H GLU 89 H GLU 89 -7.299 21.449 3.628 605 HA GLU 89 HA GLU 89 -6.403 19.799 5.735 606 HB3 GLU 89 2HB GLU 89 -6.745 18.072 3.361 607 HG3 GLU 89 2HG GLU 89 -6.637 17.773 6.294 608 H ASP 90 H ASP 90 -4.249 19.188 5.492 609 HA ASP 90 HA ASP 90 -2.812 19.197 3.084 610 HB3 ASP 90 2HB ASP 90 -3.139 21.552 2.933 611 HA PRO 91 HA PRO 91 -0.776 17.396 6.839 612 HB3 PRO 91 2HB PRO 91 -1.804 15.370 6.499 613 HG3 PRO 91 2HG PRO 91 -2.596 14.765 4.397 614 HD3 PRO 91 2HD PRO 91 -3.535 16.861 4.586 615 H ASP 92 H ASP 92 0.059 17.940 3.549 616 HA ASP 92 HA ASP 92 2.802 18.409 4.230 617 HB3 ASP 92 2HB ASP 92 2.554 15.864 3.816 618 H ARG 93 H ARG 93 3.792 19.769 2.796 619 HA ARG 93 HA ARG 93 2.169 20.598 0.481 620 HB3 ARG 93 2HB ARG 93 2.247 22.472 1.854 621 HG3 ARG 93 2HG ARG 93 3.868 21.581 3.501 622 HD3 ARG 93 2HD ARG 93 5.838 22.503 1.421 623 HE ARG 93 HE ARG 93 6.921 21.619 3.928 624 HH11 ARG 93 1HH1 ARG 93 5.823 24.376 2.108 625 HH12 ARG 93 2HH1 ARG 93 6.776 25.512 3.003 626 HH21 ARG 93 1HH2 ARG 93 8.182 23.105 5.114 627 HH22 ARG 93 2HH2 ARG 93 8.118 24.788 4.713 628 H GLN 94 H GLN 94 3.579 21.730 -1.239 629 HA GLN 94 HA GLN 94 5.357 19.817 -2.295 630 HB3 GLN 94 2HB GLN 94 5.672 21.315 -4.112 631 HG3 GLN 94 2HG GLN 94 2.955 22.050 -3.059 632 HE21 GLN 94 1HE2 GLN 94 4.860 21.132 -5.908 633 HE22 GLN 94 2HE2 GLN 94 4.046 22.190 -7.004 634 H ASP 95 H ASP 95 7.606 19.925 -2.654 635 HA ASP 95 HA ASP 95 9.275 21.967 -1.657 636 HB3 ASP 95 2HB ASP 95 8.968 19.535 0.114 637 H HIS 96 H HIS 96 10.235 21.627 -3.670 638 HA HIS 96 HA HIS 96 12.216 19.512 -3.697 639 HB3 HIS 96 2HB HIS 96 10.477 18.312 -4.793 640 HD1 HIS 96 1HD HIS 96 10.691 21.427 -6.988 641 HD2 HIS 96 2HD HIS 96 7.924 18.672 -5.566 642 HE1 HIS 96 1HE HIS 96 8.482 22.127 -7.965 643 H HIS 97 H HIS 97 13.420 19.715 -5.984 644 HA HIS 97 HA HIS 97 13.549 22.390 -7.022 645 HB3 HIS 97 2HB HIS 97 16.012 21.392 -5.595 646 HD1 HIS 97 1HD HIS 97 14.615 24.883 -5.835 647 HD2 HIS 97 2HD HIS 97 17.781 22.632 -7.307 648 HE1 HIS 97 1HE HIS 97 16.132 26.527 -6.983 649 HA PRO 98 HA PRO 98 14.876 18.960 -9.856 650 HB3 PRO 98 2HB PRO 98 12.725 18.638 -10.596 651 HG3 PRO 98 2HG PRO 98 11.131 20.321 -10.414 652 HD3 PRO 98 2HD PRO 98 11.947 20.315 -8.259 653 H GLY 99 H GLY 99 15.246 19.424 -12.429 654 HA2 GLY 99 2HA GLY 99 17.046 21.752 -12.456 655 HA3 GLY 99 3HA GLY 99 17.211 20.328 -13.471 656 H SER 100 H SER 100 17.425 21.893 -15.219 657 HA SER 100 HA SER 100 14.783 22.715 -16.219 658 HB3 SER 100 2HB SER 100 15.974 24.696 -17.281 659 HG SER 100 HG SER 100 14.830 25.339 -15.588 660 H GLY 101 H GLY 101 14.971 20.610 -17.311 661 HA2 GLY 101 2HA GLY 101 15.425 19.304 -19.146 662 HA3 GLY 101 3HA GLY 101 15.570 20.833 -20.000 663 H ALA 102 H ALA 102 17.246 20.216 -21.327 664 HA ALA 102 HA ALA 102 19.822 19.771 -19.965 665 HB1 ALA 102 1HB ALA 102 20.321 17.986 -21.225 666 HB2 ALA 102 2HB ALA 102 18.581 17.899 -21.506 667 HB3 ALA 102 3HB ALA 102 19.626 18.696 -22.683 668 H GLN 103 H GLN 103 18.661 20.494 -23.264 669 HA GLN 103 HA GLN 103 20.736 22.559 -23.455 670 HB3 GLN 103 2HB GLN 103 20.744 20.790 -25.180 671 HG3 GLN 103 2HG GLN 103 18.153 21.970 -26.146 672 HE21 GLN 103 1HE2 GLN 103 17.590 19.125 -26.887 673 HE22 GLN 103 2HE2 GLN 103 18.461 18.876 -28.357 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -16.166 24.625 5.692 2 HA2 GLY 1 2HA GLY 1 -17.591 22.870 5.131 3 HA3 GLY 1 3HA GLY 1 -18.411 24.193 4.312 4 H SER 2 H SER 2 -16.208 24.544 2.389 5 HA SER 2 HA SER 2 -16.995 22.396 0.577 6 HB3 SER 2 2HB SER 2 -15.991 25.173 0.263 7 HG SER 2 HG SER 2 -15.557 24.478 -2.034 8 H LEU 3 H LEU 3 -15.420 21.311 -0.753 9 HA LEU 3 HA LEU 3 -12.706 21.254 0.375 10 HB3 LEU 3 2HB LEU 3 -13.511 19.336 1.343 11 HG LEU 3 HG LEU 3 -15.377 19.111 -0.950 12 HD11 LEU 3 1HD1 LEU 3 -13.781 16.989 -0.634 13 HD12 LEU 3 2HD1 LEU 3 -15.485 16.855 -1.065 14 HD13 LEU 3 3HD1 LEU 3 -14.979 16.633 0.610 15 HD21 LEU 3 3HD2 LEU 3 -16.185 17.963 1.564 16 HD22 LEU 3 1HD2 LEU 3 -16.871 19.325 0.679 17 HD23 LEU 3 2HD2 LEU 3 -15.534 19.585 1.798 18 H VAL 4 H VAL 4 -11.147 21.376 -1.109 19 HA VAL 4 HA VAL 4 -11.828 20.741 -3.906 20 HB VAL 4 HB VAL 4 -10.009 22.959 -2.957 21 HG11 VAL 4 1HG1 VAL 4 -9.309 21.898 -5.074 22 HG12 VAL 4 2HG1 VAL 4 -10.897 22.259 -5.754 23 HG13 VAL 4 3HG1 VAL 4 -9.817 23.574 -5.285 24 HG21 VAL 4 3HG2 VAL 4 -12.746 23.068 -4.223 25 HG22 VAL 4 1HG2 VAL 4 -12.342 23.497 -2.560 26 HG23 VAL 4 2HG2 VAL 4 -11.715 24.462 -3.896 27 HA PRO 5 HA PRO 5 -8.413 17.941 -3.640 28 HB3 PRO 5 2HB PRO 5 -9.474 16.749 -5.293 29 HG3 PRO 5 2HG PRO 5 -10.741 17.822 -6.921 30 HD3 PRO 5 2HD PRO 5 -11.627 18.791 -5.026 31 H ARG 6 H ARG 6 -6.201 17.741 -4.367 32 HA ARG 6 HA ARG 6 -4.968 19.709 -6.005 33 HB3 ARG 6 2HB ARG 6 -3.533 20.360 -3.780 34 HG3 ARG 6 2HG ARG 6 -5.925 22.036 -4.185 35 HD3 ARG 6 2HD ARG 6 -2.950 22.417 -4.051 36 HE ARG 6 HE ARG 6 -4.474 24.823 -4.336 37 HH11 ARG 6 1HH1 ARG 6 -2.774 22.326 -6.064 38 HH12 ARG 6 2HH1 ARG 6 -2.447 23.321 -7.443 39 HH21 ARG 6 1HH2 ARG 6 -4.051 26.144 -6.147 40 HH22 ARG 6 2HH2 ARG 6 -3.173 25.493 -7.489 41 H GLY 7 H GLY 7 -2.677 19.373 -6.238 42 HA2 GLY 7 2HA GLY 7 -0.853 17.902 -5.066 43 HA3 GLY 7 3HA GLY 7 -1.936 16.616 -5.576 44 H SER 8 H SER 8 0.762 16.865 -6.385 45 HA SER 8 HA SER 8 0.632 17.813 -9.148 46 HB3 SER 8 2HB SER 8 3.006 16.715 -7.622 47 HG SER 8 HG SER 8 3.815 18.345 -9.434 48 H MET 9 H MET 9 0.801 14.880 -7.277 49 HA MET 9 HA MET 9 1.071 13.291 -9.732 50 HB3 MET 9 2HB MET 9 2.014 11.607 -8.498 51 HG3 MET 9 2HG MET 9 3.438 12.425 -6.708 52 HE1 MET 9 3HE MET 9 5.224 12.471 -9.989 53 HE2 MET 9 1HE MET 9 4.102 11.522 -9.013 54 HE3 MET 9 2HE MET 9 3.512 12.421 -10.411 55 H GLN 10 H GLN 10 -0.543 12.015 -10.454 56 HA GLN 10 HA GLN 10 -2.943 11.753 -8.769 57 HB3 GLN 10 2HB GLN 10 -4.367 12.133 -10.651 58 HG3 GLN 10 2HG GLN 10 -2.657 14.135 -9.741 59 HE21 GLN 10 1HE2 GLN 10 -3.709 16.096 -11.777 60 HE22 GLN 10 2HE2 GLN 10 -2.490 16.135 -12.999 61 H ILE 11 H ILE 11 -3.962 9.798 -8.781 62 HA ILE 11 HA ILE 11 -3.092 7.751 -10.673 63 HB ILE 11 HB ILE 11 -1.873 7.822 -8.249 64 HG13 ILE 11 2HG1 ILE 11 -2.606 5.392 -9.896 65 HG21 ILE 11 1HG2 ILE 11 -4.006 5.742 -7.888 66 HG22 ILE 11 2HG2 ILE 11 -2.844 6.346 -6.709 67 HG23 ILE 11 3HG2 ILE 11 -4.175 7.373 -7.240 68 HD11 ILE 11 3HD1 ILE 11 -0.543 7.477 -10.163 69 HD12 ILE 11 1HD1 ILE 11 -0.019 5.813 -10.413 70 HD13 ILE 11 2HD1 ILE 11 -1.325 6.484 -11.392 71 H PHE 12 H PHE 12 -4.388 5.673 -10.293 72 HA PHE 12 HA PHE 12 -7.177 6.443 -9.768 73 HB3 PHE 12 2HB PHE 12 -6.907 3.897 -11.096 74 HD1 PHE 12 1HD PHE 12 -9.343 4.630 -10.415 75 HD2 PHE 12 2HD PHE 12 -7.053 6.401 -13.534 76 HE1 PHE 12 1HE PHE 12 -11.412 5.451 -11.463 77 HE2 PHE 12 2HE PHE 12 -9.118 7.227 -14.586 78 HZ PHE 12 HZ PHE 12 -11.301 6.753 -13.550 79 H VAL 13 H VAL 13 -8.106 5.684 -7.995 80 HA VAL 13 HA VAL 13 -7.249 3.078 -6.937 81 HB VAL 13 HB VAL 13 -7.697 5.565 -5.281 82 HG11 VAL 13 1HG1 VAL 13 -8.356 4.089 -3.726 83 HG12 VAL 13 2HG1 VAL 13 -7.707 2.711 -4.617 84 HG13 VAL 13 3HG1 VAL 13 -6.642 3.690 -3.607 85 HG21 VAL 13 3HG2 VAL 13 -5.505 5.913 -5.399 86 HG22 VAL 13 1HG2 VAL 13 -5.181 4.264 -4.864 87 HG23 VAL 13 2HG2 VAL 13 -5.390 4.609 -6.580 88 H LYS 14 H LYS 14 -8.886 1.753 -6.470 89 HA LYS 14 HA LYS 14 -11.586 2.912 -6.236 90 HB3 LYS 14 2HB LYS 14 -12.319 0.605 -7.115 91 HG3 LYS 14 2HG LYS 14 -11.469 1.263 -9.535 92 HD3 LYS 14 2HD LYS 14 -13.432 2.868 -7.897 93 HE3 LYS 14 2HE LYS 14 -13.364 2.519 -10.887 94 HZ1 LYS 14 3HZ LYS 14 -14.753 4.739 -10.338 95 HZ2 LYS 14 1HZ LYS 14 -15.152 3.786 -8.999 96 HZ3 LYS 14 2HZ LYS 14 -15.455 3.216 -10.563 97 H THR 15 H THR 15 -12.406 2.694 -4.272 98 HA THR 15 HA THR 15 -11.266 0.946 -2.322 99 HB THR 15 HB THR 15 -13.001 1.767 -0.813 100 HG1 THR 15 1HG THR 15 -14.514 3.344 -1.730 101 HG21 THR 15 3HG2 THR 15 -10.971 3.218 -1.774 102 HG22 THR 15 1HG2 THR 15 -12.108 3.848 -0.582 103 HG23 THR 15 2HG2 THR 15 -12.310 4.243 -2.289 104 H LEU 16 H LEU 16 -13.103 -0.234 -0.885 105 HA LEU 16 HA LEU 16 -13.966 -2.425 -2.520 106 HB3 LEU 16 2HB LEU 16 -14.618 -3.481 -0.494 107 HG LEU 16 HG LEU 16 -12.062 -2.008 -0.350 108 HD11 LEU 16 1HD1 LEU 16 -11.690 -2.131 1.870 109 HD12 LEU 16 2HD1 LEU 16 -12.686 -3.573 2.069 110 HD13 LEU 16 3HD1 LEU 16 -13.447 -1.986 1.952 111 HD21 LEU 16 3HD2 LEU 16 -11.720 -4.048 -1.287 112 HD22 LEU 16 1HD2 LEU 16 -13.061 -4.796 -0.419 113 HD23 LEU 16 2HD2 LEU 16 -11.529 -4.507 0.406 114 H THR 17 H THR 17 -15.481 0.338 -1.003 115 HA THR 17 HA THR 17 -18.167 -0.590 -1.490 116 HB THR 17 HB THR 17 -17.698 0.884 0.418 117 HG1 THR 17 1HG THR 17 -19.767 1.160 -0.117 118 HG21 THR 17 3HG2 THR 17 -16.951 3.087 0.225 119 HG22 THR 17 1HG2 THR 17 -17.328 3.166 -1.495 120 HG23 THR 17 2HG2 THR 17 -15.950 2.217 -0.937 121 H GLY 18 H GLY 18 -15.865 1.576 -3.036 122 HA2 GLY 18 2HA GLY 18 -16.236 1.515 -5.558 123 HA3 GLY 18 3HA GLY 18 -17.843 2.100 -5.160 124 H LYS 19 H LYS 19 -16.052 3.518 -2.900 125 HA LYS 19 HA LYS 19 -16.177 6.081 -4.061 126 HB3 LYS 19 2HB LYS 19 -14.241 6.016 -1.945 127 HG3 LYS 19 2HG LYS 19 -16.226 7.027 -0.658 128 HD3 LYS 19 2HD LYS 19 -14.968 8.199 -3.120 129 HE3 LYS 19 2HE LYS 19 -17.224 9.226 -2.717 130 HZ1 LYS 19 3HZ LYS 19 -17.279 9.099 -0.317 131 HZ2 LYS 19 1HZ LYS 19 -17.401 10.713 -0.810 132 HZ3 LYS 19 2HZ LYS 19 -15.939 10.126 -0.195 133 H THR 20 H THR 20 -14.635 7.399 -4.959 134 HA THR 20 HA THR 20 -12.116 6.076 -5.727 135 HB THR 20 HB THR 20 -12.380 8.230 -7.433 136 HG1 THR 20 1HG THR 20 -14.440 8.691 -7.484 137 HG21 THR 20 3HG2 THR 20 -13.110 5.325 -7.750 138 HG22 THR 20 1HG2 THR 20 -11.603 6.123 -8.199 139 HG23 THR 20 2HG2 THR 20 -13.080 6.457 -9.103 140 H ILE 21 H ILE 21 -10.237 6.971 -5.138 141 HA ILE 21 HA ILE 21 -10.225 9.766 -4.230 142 HB ILE 21 HB ILE 21 -8.479 8.926 -2.493 143 HG13 ILE 21 2HG1 ILE 21 -8.541 6.712 -1.826 144 HG21 ILE 21 1HG2 ILE 21 -10.337 8.503 -0.858 145 HG22 ILE 21 2HG2 ILE 21 -10.491 9.984 -1.800 146 HG23 ILE 21 3HG2 ILE 21 -11.455 8.569 -2.220 147 HD11 ILE 21 3HD1 ILE 21 -10.415 5.174 -2.850 148 HD12 ILE 21 1HD1 ILE 21 -10.669 6.075 -1.357 149 HD13 ILE 21 2HD1 ILE 21 -11.311 6.692 -2.879 150 H THR 22 H THR 22 -8.530 10.942 -4.910 151 HA THR 22 HA THR 22 -6.693 9.742 -6.779 152 HB THR 22 HB THR 22 -6.354 12.562 -5.865 153 HG1 THR 22 1HG THR 22 -8.461 12.802 -6.166 154 HG21 THR 22 3HG2 THR 22 -6.259 12.738 -8.473 155 HG22 THR 22 1HG2 THR 22 -6.037 10.991 -8.390 156 HG23 THR 22 2HG2 THR 22 -4.892 12.065 -7.586 157 H LEU 23 H LEU 23 -4.804 8.880 -6.250 158 HA LEU 23 HA LEU 23 -3.493 9.774 -3.768 159 HB3 LEU 23 2HB LEU 23 -2.346 7.352 -4.500 160 HG LEU 23 HG LEU 23 -3.681 8.311 -2.237 161 HD11 LEU 23 1HD1 LEU 23 -5.696 7.151 -3.177 162 HD12 LEU 23 2HD1 LEU 23 -5.189 6.597 -1.582 163 HD13 LEU 23 3HD1 LEU 23 -4.815 5.632 -3.009 164 HD21 LEU 23 3HD2 LEU 23 -2.198 6.973 -1.230 165 HD22 LEU 23 1HD2 LEU 23 -1.603 6.638 -2.856 166 HD23 LEU 23 2HD2 LEU 23 -2.761 5.543 -2.097 167 H GLU 24 H GLU 24 -1.135 9.732 -3.763 168 HA GLU 24 HA GLU 24 -0.080 10.578 -6.363 169 HB3 GLU 24 2HB GLU 24 0.422 11.331 -3.574 170 HG3 GLU 24 2HG GLU 24 2.737 11.058 -5.473 171 H VAL 25 H VAL 25 1.887 9.786 -7.168 172 HA VAL 25 HA VAL 25 3.011 7.421 -5.849 173 HB VAL 25 HB VAL 25 3.037 6.131 -7.893 174 HG11 VAL 25 1HG1 VAL 25 0.226 7.155 -7.607 175 HG12 VAL 25 2HG1 VAL 25 0.769 5.518 -7.980 176 HG13 VAL 25 3HG1 VAL 25 1.000 6.178 -6.361 177 HG21 VAL 25 3HG2 VAL 25 1.683 7.003 -9.865 178 HG22 VAL 25 1HG2 VAL 25 1.798 8.589 -9.101 179 HG23 VAL 25 2HG2 VAL 25 3.262 7.740 -9.597 180 H GLU 26 H GLU 26 5.182 7.083 -6.211 181 HA GLU 26 HA GLU 26 6.625 8.562 -8.212 182 HB3 GLU 26 2HB GLU 26 8.136 9.451 -6.188 183 HG3 GLU 26 2HG GLU 26 7.185 11.615 -6.404 184 HA PRO 27 HA PRO 27 9.266 5.070 -7.810 185 HB3 PRO 27 2HB PRO 27 10.085 5.633 -9.881 186 HG3 PRO 27 2HG PRO 27 10.315 7.858 -10.516 187 HD3 PRO 27 2HD PRO 27 8.141 7.887 -9.751 188 H SER 28 H SER 28 10.283 8.194 -6.576 189 HA SER 28 HA SER 28 12.271 6.899 -4.849 190 HB3 SER 28 2HB SER 28 13.226 8.755 -5.983 191 HG SER 28 HG SER 28 12.168 10.865 -5.751 192 H ASP 29 H ASP 29 9.119 8.134 -4.822 193 HA ASP 29 HA ASP 29 9.167 8.560 -1.916 194 HB3 ASP 29 2HB ASP 29 6.630 9.121 -3.227 195 H THR 30 H THR 30 8.316 7.099 -0.589 196 HA THR 30 HA THR 30 6.959 4.786 -1.737 197 HB THR 30 HB THR 30 8.808 4.368 -0.178 198 HG1 THR 30 1HG THR 30 7.082 2.858 -0.254 199 HG21 THR 30 3HG2 THR 30 7.247 6.213 1.513 200 HG22 THR 30 1HG2 THR 30 8.985 5.924 1.457 201 HG23 THR 30 2HG2 THR 30 7.934 4.815 2.339 202 H ILE 31 H ILE 31 5.188 3.825 -0.259 203 HA ILE 31 HA ILE 31 2.946 5.442 -0.338 204 HB ILE 31 HB ILE 31 3.539 2.964 1.257 205 HG13 ILE 31 2HG1 ILE 31 1.986 3.631 -1.232 206 HG21 ILE 31 1HG2 ILE 31 1.117 4.711 1.347 207 HG22 ILE 31 2HG2 ILE 31 0.959 2.968 1.555 208 HG23 ILE 31 3HG2 ILE 31 1.964 3.901 2.665 209 HD11 ILE 31 3HD1 ILE 31 4.174 1.699 -0.563 210 HD12 ILE 31 1HD1 ILE 31 3.158 1.502 -1.991 211 HD13 ILE 31 2HD1 ILE 31 4.144 2.953 -1.802 212 H GLU 32 H GLU 32 5.392 5.191 2.111 213 HA GLU 32 HA GLU 32 4.114 6.106 4.372 214 HB3 GLU 32 2HB GLU 32 6.313 7.081 5.026 215 HG3 GLU 32 2HG GLU 32 7.709 4.991 4.629 216 H ASN 33 H ASN 33 5.695 8.110 1.881 217 HA ASN 33 HA ASN 33 4.685 10.547 3.013 218 HB3 ASN 33 2HB ASN 33 5.780 10.313 0.224 219 HD21 ASN 33 1HD2 ASN 33 6.574 11.973 3.251 220 HD22 ASN 33 2HD2 ASN 33 6.417 13.573 2.615 221 H VAL 34 H VAL 34 3.688 8.314 0.532 222 HA VAL 34 HA VAL 34 1.901 9.956 -0.881 223 HB VAL 34 HB VAL 34 1.721 6.976 -0.411 224 HG11 VAL 34 1HG1 VAL 34 0.430 8.734 -2.495 225 HG12 VAL 34 2HG1 VAL 34 0.407 6.969 -2.501 226 HG13 VAL 34 3HG1 VAL 34 -0.387 7.859 -1.200 227 HG21 VAL 34 3HG2 VAL 34 3.380 6.698 -1.872 228 HG22 VAL 34 1HG2 VAL 34 2.642 7.820 -3.015 229 HG23 VAL 34 2HG2 VAL 34 3.693 8.429 -1.735 230 H LYS 35 H LYS 35 1.590 8.213 2.135 231 HA LYS 35 HA LYS 35 -1.149 8.101 2.456 232 HB3 LYS 35 2HB LYS 35 0.754 7.275 4.004 233 HG3 LYS 35 2HG LYS 35 0.148 9.819 5.475 234 HD3 LYS 35 2HD LYS 35 2.106 7.558 5.814 235 HE3 LYS 35 2HE LYS 35 3.235 9.749 6.134 236 HZ1 LYS 35 3HZ LYS 35 2.199 10.508 8.578 237 HZ2 LYS 35 1HZ LYS 35 0.861 10.334 7.560 238 HZ3 LYS 35 2HZ LYS 35 2.124 11.370 7.126 239 H ALA 36 H ALA 36 0.961 10.857 2.585 240 HA ALA 36 HA ALA 36 -0.781 12.626 3.955 241 HB1 ALA 36 1HB ALA 36 1.081 13.774 1.976 242 HB2 ALA 36 2HB ALA 36 0.841 14.172 3.678 243 HB3 ALA 36 3HB ALA 36 1.803 12.764 3.229 244 H LYS 37 H LYS 37 -0.442 11.675 0.602 245 HA LYS 37 HA LYS 37 -2.090 13.759 -0.455 246 HB3 LYS 37 2HB LYS 37 -2.119 11.531 -2.204 247 HG3 LYS 37 2HG LYS 37 -1.704 14.092 -2.577 248 HD3 LYS 37 2HD LYS 37 0.903 13.965 -3.331 249 HE3 LYS 37 2HE LYS 37 -0.487 15.665 -1.913 250 HZ1 LYS 37 3HZ LYS 37 0.503 13.841 0.080 251 HZ2 LYS 37 1HZ LYS 37 -0.708 15.017 0.195 252 HZ3 LYS 37 2HZ LYS 37 0.915 15.454 0.386 253 H ILE 38 H ILE 38 -2.619 10.290 0.157 254 HA ILE 38 HA ILE 38 -5.318 10.234 -0.604 255 HB ILE 38 HB ILE 38 -4.059 8.181 -0.343 256 HG13 ILE 38 2HG1 ILE 38 -6.248 8.235 1.742 257 HG21 ILE 38 1HG2 ILE 38 -2.723 9.038 1.618 258 HG22 ILE 38 2HG2 ILE 38 -4.099 8.607 2.634 259 HG23 ILE 38 3HG2 ILE 38 -3.249 7.358 1.723 260 HD11 ILE 38 3HD1 ILE 38 -7.299 9.229 -0.092 261 HD12 ILE 38 1HD1 ILE 38 -6.453 8.199 -1.247 262 HD13 ILE 38 2HD1 ILE 38 -7.705 7.517 -0.208 263 H GLN 39 H GLN 39 -3.779 10.900 2.505 264 HA GLN 39 HA GLN 39 -6.021 10.897 4.144 265 HB3 GLN 39 2HB GLN 39 -3.670 12.780 4.372 266 HG3 GLN 39 2HG GLN 39 -5.853 12.691 5.976 267 HE21 GLN 39 1HE2 GLN 39 -5.444 9.965 5.753 268 HE22 GLN 39 2HE2 GLN 39 -5.149 9.309 7.323 269 H ASP 40 H ASP 40 -4.924 13.269 1.839 270 HA ASP 40 HA ASP 40 -6.637 15.373 2.770 271 HB3 ASP 40 2HB ASP 40 -4.893 14.962 0.366 272 H LYS 41 H LYS 41 -6.936 12.689 0.601 273 HA LYS 41 HA LYS 41 -9.221 13.677 -0.815 274 HB3 LYS 41 2HB LYS 41 -9.294 11.568 -1.878 275 HG3 LYS 41 2HG LYS 41 -6.992 10.986 -2.449 276 HD3 LYS 41 2HD LYS 41 -8.153 13.601 -2.629 277 HE3 LYS 41 2HE LYS 41 -5.988 14.118 -1.353 278 HZ1 LYS 41 3HZ LYS 41 -4.753 13.730 -4.014 279 HZ2 LYS 41 1HZ LYS 41 -4.654 12.556 -2.799 280 HZ3 LYS 41 2HZ LYS 41 -3.991 14.091 -2.547 281 H GLU 42 H GLU 42 -8.808 11.121 1.642 282 HA GLU 42 HA GLU 42 -11.583 11.628 2.485 283 HB3 GLU 42 2HB GLU 42 -11.473 9.109 3.171 284 HG3 GLU 42 2HG GLU 42 -11.994 8.440 0.718 285 H GLY 43 H GLY 43 -8.323 10.680 3.397 286 HA2 GLY 43 2HA GLY 43 -7.337 11.516 5.415 287 HA3 GLY 43 3HA GLY 43 -8.935 11.526 6.148 288 H ILE 44 H ILE 44 -7.961 8.785 4.273 289 HA ILE 44 HA ILE 44 -8.139 7.105 6.626 290 HB ILE 44 HB ILE 44 -7.654 6.359 3.741 291 HG13 ILE 44 2HG1 ILE 44 -9.949 7.376 4.823 292 HG21 ILE 44 1HG2 ILE 44 -8.778 4.283 5.378 293 HG22 ILE 44 2HG2 ILE 44 -7.316 4.264 4.394 294 HG23 ILE 44 3HG2 ILE 44 -7.251 4.846 6.058 295 HD11 ILE 44 3HD1 ILE 44 -10.559 5.298 2.882 296 HD12 ILE 44 1HD1 ILE 44 -10.811 7.042 2.801 297 HD13 ILE 44 2HD1 ILE 44 -9.237 6.357 2.389 298 HA PRO 45 HA PRO 45 -3.691 7.340 7.146 299 HB3 PRO 45 2HB PRO 45 -4.105 7.641 9.385 300 HG3 PRO 45 2HG PRO 45 -6.013 6.760 10.382 301 HD3 PRO 45 2HD PRO 45 -6.965 7.820 8.569 302 HA PRO 46 HA PRO 46 -2.359 3.464 5.533 303 HB3 PRO 46 2HB PRO 46 -0.347 4.487 5.104 304 HG3 PRO 46 2HG PRO 46 0.525 6.077 6.560 305 HD3 PRO 46 2HD PRO 46 -1.613 6.901 6.306 306 H ASP 47 H ASP 47 -2.249 4.128 8.929 307 HA ASP 47 HA ASP 47 -1.270 1.698 9.912 308 HB3 ASP 47 2HB ASP 47 -2.602 2.277 11.977 309 H GLN 48 H GLN 48 -4.520 2.655 8.930 310 HA GLN 48 HA GLN 48 -5.426 -0.106 9.389 311 HB3 GLN 48 2HB GLN 48 -7.632 0.697 9.623 312 HG3 GLN 48 2HG GLN 48 -6.158 3.011 10.812 313 HE21 GLN 48 1HE2 GLN 48 -7.275 3.986 12.402 314 HE22 GLN 48 2HE2 GLN 48 -8.850 3.510 12.925 315 H GLN 49 H GLN 49 -4.900 2.340 7.005 316 HA GLN 49 HA GLN 49 -6.542 1.309 4.948 317 HB3 GLN 49 2HB GLN 49 -3.981 2.887 4.655 318 HG3 GLN 49 2HG GLN 49 -6.233 2.275 2.810 319 HE21 GLN 49 1HE2 GLN 49 -3.511 4.494 2.518 320 HE22 GLN 49 2HE2 GLN 49 -4.438 5.848 1.979 321 H ARG 50 H ARG 50 -6.232 -0.263 3.473 322 HA ARG 50 HA ARG 50 -3.838 -1.919 3.778 323 HB3 ARG 50 2HB ARG 50 -5.072 -3.703 2.839 324 HG3 ARG 50 2HG ARG 50 -7.369 -2.360 4.162 325 HD3 ARG 50 2HD ARG 50 -7.524 -4.540 5.287 326 HE ARG 50 HE ARG 50 -7.990 -4.196 2.566 327 HH11 ARG 50 1HH1 ARG 50 -7.403 -6.797 4.805 328 HH12 ARG 50 2HH1 ARG 50 -8.314 -7.958 3.897 329 HH21 ARG 50 1HH2 ARG 50 -9.191 -5.715 1.361 330 HH22 ARG 50 2HH2 ARG 50 -9.330 -7.342 1.938 331 H LEU 51 H LEU 51 -3.111 -3.020 1.680 332 HA LEU 51 HA LEU 51 -3.125 -1.082 -0.535 333 HB3 LEU 51 2HB LEU 51 -0.713 -2.152 -0.871 334 HG LEU 51 HG LEU 51 -1.130 0.289 -0.540 335 HD11 LEU 51 1HD1 LEU 51 -1.212 -0.611 2.295 336 HD12 LEU 51 2HD1 LEU 51 -2.176 0.613 1.468 337 HD13 LEU 51 3HD1 LEU 51 -0.508 0.963 1.922 338 HD21 LEU 51 3HD2 LEU 51 1.081 0.286 -0.761 339 HD22 LEU 51 1HD2 LEU 51 1.222 -1.249 0.097 340 HD23 LEU 51 2HD2 LEU 51 1.198 0.267 0.999 341 H ILE 52 H ILE 52 -3.432 -1.901 -2.531 342 HA ILE 52 HA ILE 52 -3.288 -4.816 -2.879 343 HB ILE 52 HB ILE 52 -5.576 -3.010 -3.630 344 HG13 ILE 52 2HG1 ILE 52 -5.256 -5.517 -1.988 345 HG21 ILE 52 1HG2 ILE 52 -6.464 -5.145 -4.761 346 HG22 ILE 52 2HG2 ILE 52 -5.284 -4.164 -5.629 347 HG23 ILE 52 3HG2 ILE 52 -4.773 -5.642 -4.813 348 HD11 ILE 52 3HD1 ILE 52 -5.250 -4.007 -0.354 349 HD12 ILE 52 1HD1 ILE 52 -5.831 -2.722 -1.414 350 HD13 ILE 52 2HD1 ILE 52 -6.976 -3.847 -0.683 351 H PHE 53 H PHE 53 -1.919 -5.280 -4.454 352 HA PHE 53 HA PHE 53 -1.753 -3.455 -6.762 353 HB3 PHE 53 2HB PHE 53 0.466 -4.831 -5.255 354 HD1 PHE 53 2HD PHE 53 -0.306 -3.122 -8.465 355 HD2 PHE 53 1HD PHE 53 2.483 -5.424 -6.220 356 HE1 PHE 53 2HE PHE 53 1.102 -3.363 -10.468 357 HE2 PHE 53 1HE PHE 53 3.896 -5.668 -8.220 358 HZ PHE 53 HZ PHE 53 3.206 -4.638 -10.348 359 H ALA 54 H ALA 54 -2.434 -4.412 -8.550 360 HA ALA 54 HA ALA 54 -2.985 -6.002 -10.086 361 HB1 ALA 54 1HB ALA 54 -0.627 -6.118 -10.449 362 HB2 ALA 54 2HB ALA 54 -0.409 -7.169 -9.048 363 HB3 ALA 54 3HB ALA 54 -1.262 -7.764 -10.473 364 H GLY 55 H GLY 55 -4.104 -6.269 -7.407 365 HA2 GLY 55 2HA GLY 55 -5.733 -7.803 -6.682 366 HA3 GLY 55 3HA GLY 55 -4.951 -9.053 -7.640 367 H LYS 56 H LYS 56 -2.311 -8.141 -6.423 368 HA LYS 56 HA LYS 56 -2.556 -9.788 -4.013 369 HB3 LYS 56 2HB LYS 56 0.076 -8.876 -5.098 370 HG3 LYS 56 2HG LYS 56 -0.938 -11.360 -3.757 371 HD3 LYS 56 2HD LYS 56 1.572 -12.016 -4.004 372 HE3 LYS 56 2HE LYS 56 1.065 -13.157 -6.182 373 HZ1 LYS 56 3HZ LYS 56 -1.346 -13.788 -4.892 374 HZ2 LYS 56 1HZ LYS 56 -0.173 -13.500 -3.706 375 HZ3 LYS 56 2HZ LYS 56 0.103 -14.663 -4.901 376 H GLN 57 H GLN 57 -2.489 -8.911 -2.054 377 HA GLN 57 HA GLN 57 -2.046 -6.085 -1.745 378 HB3 GLN 57 2HB GLN 57 -3.756 -7.561 -0.496 379 HG3 GLN 57 2HG GLN 57 -3.045 -8.397 1.662 380 HE21 GLN 57 1HE2 GLN 57 -0.435 -9.931 1.257 381 HE22 GLN 57 2HE2 GLN 57 -0.883 -11.222 0.201 382 H LEU 58 H LEU 58 -0.548 -5.164 -0.198 383 HA LEU 58 HA LEU 58 1.946 -6.722 -0.029 384 HB3 LEU 58 2HB LEU 58 3.161 -4.663 -0.121 385 HG LEU 58 HG LEU 58 1.957 -5.519 -2.332 386 HD11 LEU 58 1HD1 LEU 58 0.455 -4.101 -3.297 387 HD12 LEU 58 2HD1 LEU 58 1.037 -2.695 -2.408 388 HD13 LEU 58 3HD1 LEU 58 0.016 -3.886 -1.602 389 HD21 LEU 58 3HD2 LEU 58 3.449 -2.921 -1.997 390 HD22 LEU 58 1HD2 LEU 58 3.171 -3.724 -3.544 391 HD23 LEU 58 2HD2 LEU 58 4.138 -4.517 -2.300 392 H GLU 59 H GLU 59 3.365 -5.206 1.738 393 HA GLU 59 HA GLU 59 1.779 -4.834 4.144 394 HB3 GLU 59 2HB GLU 59 3.458 -6.330 5.403 395 HG3 GLU 59 2HG GLU 59 1.506 -7.678 3.550 396 H ASP 60 H ASP 60 5.235 -5.429 3.538 397 HA ASP 60 HA ASP 60 6.174 -3.414 5.211 398 HB3 ASP 60 2HB ASP 60 8.198 -3.572 3.444 399 H GLY 61 H GLY 61 7.611 -1.551 4.334 400 HA2 GLY 61 2HA GLY 61 6.124 -0.141 2.205 401 HA3 GLY 61 3HA GLY 61 6.606 0.665 3.692 402 H ARG 62 H ARG 62 7.555 -0.304 0.547 403 HA ARG 62 HA ARG 62 10.188 0.934 0.985 404 HB3 ARG 62 2HB ARG 62 9.837 -1.251 -1.033 405 HG3 ARG 62 2HG ARG 62 12.133 -0.085 0.486 406 HD3 ARG 62 2HD ARG 62 13.391 -2.021 -0.763 407 HE ARG 62 HE ARG 62 12.386 -1.906 1.906 408 HH11 ARG 62 1HH1 ARG 62 14.059 -3.926 -0.383 409 HH12 ARG 62 2HH1 ARG 62 14.881 -4.846 0.833 410 HH21 ARG 62 1HH2 ARG 62 13.463 -3.110 3.516 411 HH22 ARG 62 2HH2 ARG 62 14.541 -4.383 3.050 412 H THR 63 H THR 63 11.203 1.574 -1.173 413 HA THR 63 HA THR 63 9.332 3.262 -2.547 414 HB THR 63 HB THR 63 11.259 4.063 -3.824 415 HG1 THR 63 1HG THR 63 13.360 3.087 -3.113 416 HG21 THR 63 3HG2 THR 63 10.796 4.754 -1.393 417 HG22 THR 63 1HG2 THR 63 12.382 5.131 -2.065 418 HG23 THR 63 2HG2 THR 63 12.188 3.751 -0.984 419 H LEU 64 H LEU 64 9.100 3.330 -4.888 420 HA LEU 64 HA LEU 64 8.513 0.749 -5.957 421 HB3 LEU 64 2HB LEU 64 7.488 1.849 -7.709 422 HG LEU 64 HG LEU 64 7.509 4.071 -5.667 423 HD11 LEU 64 1HD1 LEU 64 6.666 4.719 -7.877 424 HD12 LEU 64 2HD1 LEU 64 5.388 4.698 -6.663 425 HD13 LEU 64 3HD1 LEU 64 5.521 3.378 -7.825 426 HD21 LEU 64 3HD2 LEU 64 6.820 2.086 -4.551 427 HD22 LEU 64 1HD2 LEU 64 5.806 1.600 -5.909 428 HD23 LEU 64 2HD2 LEU 64 5.361 3.001 -4.934 429 H SER 65 H SER 65 11.148 3.006 -6.256 430 HA SER 65 HA SER 65 12.296 1.881 -8.608 431 HB3 SER 65 2HB SER 65 13.575 3.557 -6.432 432 HG SER 65 HG SER 65 15.267 2.902 -7.564 433 H GLU 66 H GLU 66 12.794 1.397 -5.143 434 HA GLU 66 HA GLU 66 14.977 -0.423 -5.484 435 HB3 GLU 66 2HB GLU 66 14.407 -0.951 -3.018 436 HG3 GLU 66 2HG GLU 66 15.198 1.297 -2.223 437 H TYR 67 H TYR 67 11.502 -0.731 -4.970 438 HA TYR 67 HA TYR 67 11.641 -3.620 -4.843 439 HB3 TYR 67 2HB TYR 67 8.988 -2.463 -5.247 440 HD1 TYR 67 1HD TYR 67 10.002 -5.254 -5.099 441 HD2 TYR 67 2HD TYR 67 8.734 -2.599 -2.025 442 HE1 TYR 67 1HE TYR 67 9.401 -7.179 -3.692 443 HE2 TYR 67 2HE TYR 67 8.131 -4.517 -0.610 444 HH TYR 67 HH TYR 67 7.788 -7.612 -1.755 445 H ASN 68 H ASN 68 11.683 -1.355 -7.282 446 HA ASN 68 HA ASN 68 11.289 -1.389 -9.526 447 HB3 ASN 68 2HB ASN 68 11.504 -4.380 -9.450 448 HD21 ASN 68 1HD2 ASN 68 13.924 -2.229 -10.641 449 HD22 ASN 68 2HD2 ASN 68 13.587 -2.440 -12.322 450 H ILE 69 H ILE 69 8.966 -1.608 -7.793 451 HA ILE 69 HA ILE 69 7.153 -3.367 -9.247 452 HB ILE 69 HB ILE 69 5.461 -2.641 -7.591 453 HG13 ILE 69 2HG1 ILE 69 6.399 -0.387 -7.172 454 HG21 ILE 69 1HG2 ILE 69 6.199 -4.456 -6.546 455 HG22 ILE 69 2HG2 ILE 69 7.847 -4.162 -7.100 456 HG23 ILE 69 3HG2 ILE 69 7.275 -3.420 -5.607 457 HD11 ILE 69 3HD1 ILE 69 5.719 -0.185 -5.015 458 HD12 ILE 69 1HD1 ILE 69 5.024 -1.760 -5.398 459 HD13 ILE 69 2HD1 ILE 69 6.538 -1.659 -4.499 460 H GLN 70 H GLN 70 5.077 -2.536 -10.022 461 HA GLN 70 HA GLN 70 5.423 0.102 -11.262 462 HB3 GLN 70 2HB GLN 70 5.088 -1.570 -12.912 463 HG3 GLN 70 2HG GLN 70 2.667 -2.486 -11.377 464 HE21 GLN 70 1HE2 GLN 70 1.161 -3.386 -12.569 465 HE22 GLN 70 2HE2 GLN 70 1.360 -4.020 -14.163 466 H LYS 71 H LYS 71 4.807 0.951 -9.067 467 HA LYS 71 HA LYS 71 1.953 0.785 -8.480 468 HB3 LYS 71 2HB LYS 71 4.216 2.135 -6.997 469 HG3 LYS 71 2HG LYS 71 2.222 1.716 -5.178 470 HD3 LYS 71 2HD LYS 71 1.889 4.350 -6.117 471 HE3 LYS 71 2HE LYS 71 3.445 3.002 -3.953 472 HZ1 LYS 71 3HZ LYS 71 4.691 4.763 -3.490 473 HZ2 LYS 71 1HZ LYS 71 3.404 5.841 -3.693 474 HZ3 LYS 71 2HZ LYS 71 4.323 5.360 -5.029 475 H GLU 72 H GLU 72 3.953 2.631 -10.376 476 HA GLU 72 HA GLU 72 2.572 5.154 -9.946 477 HB3 GLU 72 2HB GLU 72 4.109 6.060 -11.608 478 HG3 GLU 72 2HG GLU 72 5.713 4.222 -9.856 479 H SER 73 H SER 73 1.357 2.600 -11.116 480 HA SER 73 HA SER 73 0.308 3.817 -13.587 481 HB3 SER 73 2HB SER 73 1.387 1.865 -14.311 482 HG SER 73 HG SER 73 1.757 0.236 -13.034 483 H THR 74 H THR 74 -0.868 1.032 -11.761 484 HA THR 74 HA THR 74 -3.259 2.556 -10.995 485 HB THR 74 HB THR 74 -3.756 -0.239 -11.818 486 HG1 THR 74 1HG THR 74 -3.019 1.805 -13.645 487 HG21 THR 74 3HG2 THR 74 -5.560 1.186 -11.037 488 HG22 THR 74 1HG2 THR 74 -5.802 0.798 -12.739 489 HG23 THR 74 2HG2 THR 74 -5.184 2.383 -12.276 490 H LEU 75 H LEU 75 -3.228 2.496 -8.842 491 HA LEU 75 HA LEU 75 -2.910 -0.116 -7.535 492 HB3 LEU 75 2HB LEU 75 -1.969 1.958 -5.812 493 HG LEU 75 HG LEU 75 0.225 0.736 -5.945 494 HD11 LEU 75 1HD1 LEU 75 -1.188 -1.512 -5.209 495 HD12 LEU 75 2HD1 LEU 75 -2.334 -0.200 -4.940 496 HD13 LEU 75 3HD1 LEU 75 -0.753 -0.164 -4.158 497 HD21 LEU 75 3HD2 LEU 75 -0.618 -0.159 -8.334 498 HD22 LEU 75 1HD2 LEU 75 -1.098 -1.516 -7.316 499 HD23 LEU 75 2HD2 LEU 75 0.586 -0.994 -7.351 500 H HIS 76 H HIS 76 -4.120 -0.428 -5.662 501 HA HIS 76 HA HIS 76 -6.018 1.710 -4.969 502 HB3 HIS 76 2HB HIS 76 -6.576 -1.051 -5.884 503 HD1 HIS 76 1HD HIS 76 -8.039 1.143 -3.148 504 HD2 HIS 76 2HD HIS 76 -8.277 -2.738 -4.612 505 HE1 HIS 76 1HE HIS 76 -9.525 -0.094 -1.539 506 H LEU 77 H LEU 77 -5.466 2.285 -2.967 507 HA LEU 77 HA LEU 77 -5.178 0.161 -0.955 508 HB3 LEU 77 2HB LEU 77 -2.959 0.857 -1.318 509 HG LEU 77 HG LEU 77 -4.013 3.641 -1.459 510 HD11 LEU 77 1HD1 LEU 77 -1.450 4.212 -1.164 511 HD12 LEU 77 2HD1 LEU 77 -1.503 2.796 -0.117 512 HD13 LEU 77 3HD1 LEU 77 -2.556 4.172 0.208 513 HD21 LEU 77 3HD2 LEU 77 -3.076 3.617 -3.488 514 HD22 LEU 77 1HD2 LEU 77 -2.976 1.869 -3.276 515 HD23 LEU 77 2HD2 LEU 77 -1.586 2.884 -2.892 516 H VAL 78 H VAL 78 -7.274 0.482 -0.217 517 HA VAL 78 HA VAL 78 -7.603 2.801 1.505 518 HB VAL 78 HB VAL 78 -9.822 2.112 -0.411 519 HG11 VAL 78 1HG1 VAL 78 -10.718 3.245 1.412 520 HG12 VAL 78 2HG1 VAL 78 -9.307 4.290 1.581 521 HG13 VAL 78 3HG1 VAL 78 -10.429 4.533 0.242 522 HG21 VAL 78 3HG2 VAL 78 -9.189 4.078 -1.720 523 HG22 VAL 78 1HG2 VAL 78 -7.768 4.303 -0.701 524 HG23 VAL 78 2HG2 VAL 78 -7.903 2.871 -1.721 525 H LEU 79 H LEU 79 -9.114 2.494 3.173 526 HA LEU 79 HA LEU 79 -9.769 -0.320 3.651 527 HB3 LEU 79 2HB LEU 79 -9.865 1.997 5.576 528 HG LEU 79 HG LEU 79 -11.102 0.183 6.524 529 HD11 LEU 79 1HD1 LEU 79 -10.071 -2.056 6.797 530 HD12 LEU 79 2HD1 LEU 79 -8.754 -1.537 5.745 531 HD13 LEU 79 3HD1 LEU 79 -10.399 -1.630 5.117 532 HD21 LEU 79 3HD2 LEU 79 -8.402 0.799 7.554 533 HD22 LEU 79 1HD2 LEU 79 -9.225 -0.584 8.275 534 HD23 LEU 79 2HD2 LEU 79 -9.984 1.008 8.308 535 H ARG 80 H ARG 80 -11.818 -1.050 3.922 536 HA ARG 80 HA ARG 80 -13.970 -0.104 2.682 537 HB3 ARG 80 2HB ARG 80 -14.324 -1.200 5.462 538 HG3 ARG 80 2HG ARG 80 -15.787 -1.813 2.904 539 HD3 ARG 80 2HD ARG 80 -16.443 -2.500 5.766 540 HE ARG 80 HE ARG 80 -18.181 -2.420 3.687 541 HH11 ARG 80 1HH1 ARG 80 -16.819 -4.993 5.595 542 HH12 ARG 80 2HH1 ARG 80 -18.202 -6.024 5.431 543 HH21 ARG 80 1HH2 ARG 80 -20.008 -3.767 3.462 544 HH22 ARG 80 2HH2 ARG 80 -20.015 -5.326 4.216 545 H LEU 81 H LEU 81 -14.693 1.924 2.590 546 HA LEU 81 HA LEU 81 -14.564 3.729 4.801 547 HB3 LEU 81 2HB LEU 81 -16.173 5.024 3.122 548 HG LEU 81 HG LEU 81 -14.306 5.943 1.885 549 HD11 LEU 81 1HD1 LEU 81 -14.701 6.373 4.402 550 HD12 LEU 81 2HD1 LEU 81 -13.189 6.909 3.669 551 HD13 LEU 81 3HD1 LEU 81 -13.228 5.429 4.628 552 HD21 LEU 81 3HD2 LEU 81 -13.261 3.422 1.948 553 HD22 LEU 81 1HD2 LEU 81 -12.252 4.267 3.123 554 HD23 LEU 81 2HD2 LEU 81 -12.380 4.876 1.473 555 H ARG 82 H ARG 82 -16.699 5.085 5.189 556 HA ARG 82 HA ARG 82 -18.951 3.238 5.575 557 HB3 ARG 82 2HB ARG 82 -19.325 4.265 7.822 558 HG3 ARG 82 2HG ARG 82 -16.578 3.058 7.682 559 HD3 ARG 82 2HD ARG 82 -17.531 3.953 9.863 560 HE ARG 82 HE ARG 82 -19.659 3.228 10.270 561 HH11 ARG 82 1HH1 ARG 82 -17.775 0.564 9.059 562 HH12 ARG 82 2HH1 ARG 82 -19.018 -0.611 9.332 563 HH21 ARG 82 1HH2 ARG 82 -21.305 1.693 10.634 564 HH22 ARG 82 2HH2 ARG 82 -21.027 0.033 10.228 565 H GLY 83 H GLY 83 -18.368 5.431 3.658 566 HA2 GLY 83 2HA GLY 83 -20.323 6.596 2.702 567 HA3 GLY 83 3HA GLY 83 -20.672 7.157 4.332 568 H TYR 84 H TYR 84 -20.457 8.911 2.197 569 HA TYR 84 HA TYR 84 -17.956 10.039 1.749 570 HB3 TYR 84 2HB TYR 84 -19.990 10.626 0.476 571 HD1 TYR 84 2HD TYR 84 -22.131 9.944 1.472 572 HD2 TYR 84 1HD TYR 84 -20.154 13.507 2.697 573 HE1 TYR 84 2HE TYR 84 -24.209 10.727 2.529 574 HE2 TYR 84 1HE TYR 84 -22.227 14.299 3.758 575 HH TYR 84 HH TYR 84 -24.637 13.930 3.592 576 H ALA 85 H ALA 85 -17.516 12.436 2.469 577 HA ALA 85 HA ALA 85 -18.231 13.152 5.133 578 HB1 ALA 85 1HB ALA 85 -16.784 11.457 5.881 579 HB2 ALA 85 2HB ALA 85 -15.559 11.857 4.675 580 HB3 ALA 85 3HB ALA 85 -15.860 12.952 6.025 581 H ASP 86 H ASP 86 -16.705 14.976 5.931 582 HA ASP 86 HA ASP 86 -16.250 16.750 3.640 583 HB3 ASP 86 2HB ASP 86 -16.202 17.715 6.470 584 H LEU 87 H LEU 87 -14.475 18.477 4.181 585 HA LEU 87 HA LEU 87 -12.038 16.959 4.729 586 HB3 LEU 87 2HB LEU 87 -11.063 19.262 3.876 587 HG LEU 87 HG LEU 87 -11.452 18.566 1.447 588 HD11 LEU 87 1HD1 LEU 87 -10.304 16.245 2.852 589 HD12 LEU 87 2HD1 LEU 87 -9.623 17.818 3.270 590 HD13 LEU 87 3HD1 LEU 87 -9.614 17.269 1.593 591 HD21 LEU 87 3HD2 LEU 87 -12.480 16.032 2.687 592 HD22 LEU 87 1HD2 LEU 87 -12.439 16.490 0.985 593 HD23 LEU 87 2HD2 LEU 87 -13.565 17.287 2.085 594 H ARG 88 H ARG 88 -11.653 16.928 6.873 595 HA ARG 88 HA ARG 88 -11.163 19.500 8.170 596 HB3 ARG 88 2HB ARG 88 -12.305 18.709 10.240 597 HG3 ARG 88 2HG ARG 88 -13.932 19.056 7.749 598 HD3 ARG 88 2HD ARG 88 -14.831 18.389 10.512 599 HE ARG 88 HE ARG 88 -16.832 19.749 8.980 600 HH11 ARG 88 1HH1 ARG 88 -14.268 20.161 11.300 601 HH12 ARG 88 2HH1 ARG 88 -14.925 21.623 11.960 602 HH21 ARG 88 1HH2 ARG 88 -17.705 21.672 9.841 603 HH22 ARG 88 2HH2 ARG 88 -16.879 22.481 11.130 604 H GLU 89 H GLU 89 -9.356 19.500 9.371 605 HA GLU 89 HA GLU 89 -7.415 18.792 10.324 606 HB3 GLU 89 2HB GLU 89 -8.614 16.126 10.943 607 HG3 GLU 89 2HG GLU 89 -7.440 17.931 12.978 608 H ASP 90 H ASP 90 -7.665 18.417 7.559 609 HA ASP 90 HA ASP 90 -6.037 15.992 7.174 610 HB3 ASP 90 2HB ASP 90 -7.871 15.359 5.957 611 HA PRO 91 HA PRO 91 -2.906 18.462 5.350 612 HB3 PRO 91 2HB PRO 91 -1.714 16.530 4.997 613 HG3 PRO 91 2HG PRO 91 -2.776 14.567 4.344 614 HD3 PRO 91 2HD PRO 91 -4.099 15.155 6.137 615 H ASP 92 H ASP 92 -4.651 20.007 4.643 616 HA ASP 92 HA ASP 92 -4.233 20.811 1.995 617 HB3 ASP 92 2HB ASP 92 -6.846 19.377 2.492 618 H ARG 93 H ARG 93 -5.255 22.803 1.498 619 HA ARG 93 HA ARG 93 -5.605 24.546 3.614 620 HB3 ARG 93 2HB ARG 93 -6.940 25.897 1.773 621 HG3 ARG 93 2HG ARG 93 -4.772 26.389 0.570 622 HD3 ARG 93 2HD ARG 93 -3.660 27.255 2.701 623 HE ARG 93 HE ARG 93 -5.958 28.191 1.464 624 HH11 ARG 93 1HH1 ARG 93 -4.451 28.376 4.597 625 HH12 ARG 93 2HH1 ARG 93 -5.112 29.935 4.966 626 HH21 ARG 93 1HH2 ARG 93 -6.834 30.243 1.939 627 HH22 ARG 93 2HH2 ARG 93 -6.467 30.996 3.454 628 H GLN 94 H GLN 94 -7.659 25.896 3.957 629 HA GLN 94 HA GLN 94 -9.852 24.024 4.482 630 HB3 GLN 94 2HB GLN 94 -8.949 25.245 6.412 631 HG3 GLN 94 2HG GLN 94 -10.146 27.787 5.443 632 HE21 GLN 94 1HE2 GLN 94 -7.888 29.282 6.113 633 HE22 GLN 94 2HE2 GLN 94 -7.658 29.196 7.823 634 H ASP 95 H ASP 95 -12.006 25.600 4.713 635 HA ASP 95 HA ASP 95 -12.345 27.468 2.597 636 HB3 ASP 95 2HB ASP 95 -14.026 25.086 2.056 637 H HIS 96 H HIS 96 -14.933 27.568 2.155 638 HA HIS 96 HA HIS 96 -16.473 27.050 4.544 639 HB3 HIS 96 2HB HIS 96 -17.138 29.541 4.646 640 HD1 HIS 96 1HD HIS 96 -13.935 30.650 5.299 641 HD2 HIS 96 2HD HIS 96 -16.249 27.647 6.998 642 HE1 HIS 96 1HE HIS 96 -12.956 30.256 7.581 643 H HIS 97 H HIS 97 -18.129 26.071 3.558 644 HA HIS 97 HA HIS 97 -20.019 27.536 2.079 645 HB3 HIS 97 2HB HIS 97 -18.349 25.608 0.450 646 HD1 HIS 97 1HD HIS 97 -19.263 25.018 -1.833 647 HD2 HIS 97 2HD HIS 97 -21.717 27.628 0.272 648 HE1 HIS 97 1HE HIS 97 -21.400 25.145 -3.153 649 HA PRO 98 HA PRO 98 -21.381 23.589 4.117 650 HB3 PRO 98 2HB PRO 98 -21.684 24.647 6.134 651 HG3 PRO 98 2HG PRO 98 -22.009 26.947 6.247 652 HD3 PRO 98 2HD PRO 98 -20.135 26.875 4.906 653 H GLY 99 H GLY 99 -23.470 22.525 3.950 654 HA2 GLY 99 2HA GLY 99 -25.204 23.720 1.875 655 HA3 GLY 99 3HA GLY 99 -24.734 22.027 1.834 656 H SER 100 H SER 100 -26.637 21.005 2.102 657 HA SER 100 HA SER 100 -28.271 21.760 4.433 658 HB3 SER 100 2HB SER 100 -30.171 20.721 3.286 659 HG SER 100 HG SER 100 -29.103 22.248 1.229 660 H GLY 101 H GLY 101 -27.939 18.791 2.490 661 HA2 GLY 101 2HA GLY 101 -26.568 17.034 3.831 662 HA3 GLY 101 3HA GLY 101 -27.863 17.262 4.996 663 H ALA 102 H ALA 102 -28.726 15.230 4.902 664 HA ALA 102 HA ALA 102 -30.553 14.687 2.803 665 HB1 ALA 102 1HB ALA 102 -27.905 13.351 2.714 666 HB2 ALA 102 2HB ALA 102 -29.329 12.380 2.341 667 HB3 ALA 102 3HB ALA 102 -28.979 13.830 1.400 668 H GLN 103 H GLN 103 -31.263 12.203 3.046 669 HA GLN 103 HA GLN 103 -31.883 11.909 5.882 670 HB3 GLN 103 2HB GLN 103 -33.014 10.230 3.659 671 HG3 GLN 103 2HG GLN 103 -33.560 9.613 5.989 672 HE21 GLN 103 1HE2 GLN 103 -34.339 10.100 7.972 673 HE22 GLN 103 2HE2 GLN 103 -34.752 11.698 8.485 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -18.787 21.793 1.760 2 HA2 GLY 1 2HA GLY 1 -16.390 22.191 3.382 3 HA3 GLY 1 3HA GLY 1 -16.635 20.587 2.706 4 H SER 2 H SER 2 -17.361 20.831 0.228 5 HA SER 2 HA SER 2 -16.625 21.235 -1.886 6 HB3 SER 2 2HB SER 2 -16.295 23.488 -2.535 7 HG SER 2 HG SER 2 -17.933 24.555 -1.440 8 H LEU 3 H LEU 3 -14.871 19.824 -0.315 9 HA LEU 3 HA LEU 3 -12.250 20.846 -0.222 10 HB3 LEU 3 2HB LEU 3 -13.242 18.789 0.940 11 HG LEU 3 HG LEU 3 -12.355 17.452 -1.615 12 HD11 LEU 3 1HD1 LEU 3 -12.942 15.362 -0.309 13 HD12 LEU 3 2HD1 LEU 3 -12.861 16.364 1.139 14 HD13 LEU 3 3HD1 LEU 3 -11.433 16.163 0.126 15 HD21 LEU 3 3HD2 LEU 3 -14.647 16.403 -1.371 16 HD22 LEU 3 1HD2 LEU 3 -14.612 18.104 -1.835 17 HD23 LEU 3 2HD2 LEU 3 -14.986 17.651 -0.172 18 H VAL 4 H VAL 4 -10.585 20.831 -1.651 19 HA VAL 4 HA VAL 4 -11.185 19.867 -4.371 20 HB VAL 4 HB VAL 4 -9.397 21.568 -5.059 21 HG11 VAL 4 1HG1 VAL 4 -11.051 23.442 -5.006 22 HG12 VAL 4 2HG1 VAL 4 -11.692 21.920 -5.627 23 HG13 VAL 4 3HG1 VAL 4 -12.075 22.435 -3.984 24 HG21 VAL 4 3HG2 VAL 4 -8.541 23.031 -3.586 25 HG22 VAL 4 1HG2 VAL 4 -10.078 23.230 -2.743 26 HG23 VAL 4 2HG2 VAL 4 -9.040 21.853 -2.372 27 HA PRO 5 HA PRO 5 -7.711 17.188 -4.251 28 HB3 PRO 5 2HB PRO 5 -8.327 16.481 -6.349 29 HG3 PRO 5 2HG PRO 5 -9.179 17.974 -7.915 30 HD3 PRO 5 2HD PRO 5 -10.508 18.497 -6.104 31 H ARG 6 H ARG 6 -5.507 17.178 -3.973 32 HA ARG 6 HA ARG 6 -3.986 19.556 -4.748 33 HB3 ARG 6 2HB ARG 6 -2.946 19.652 -2.495 34 HG3 ARG 6 2HG ARG 6 -4.868 20.558 -1.231 35 HD3 ARG 6 2HD ARG 6 -5.445 21.673 -3.860 36 HE ARG 6 HE ARG 6 -5.592 23.312 -2.258 37 HH11 ARG 6 1HH1 ARG 6 -2.514 21.705 -2.002 38 HH12 ARG 6 2HH1 ARG 6 -1.865 22.848 -0.874 39 HH21 ARG 6 1HH2 ARG 6 -4.747 24.824 -0.774 40 HH22 ARG 6 2HH2 ARG 6 -3.135 24.621 -0.175 41 H GLY 7 H GLY 7 -1.939 19.129 -5.386 42 HA2 GLY 7 2HA GLY 7 0.060 17.659 -4.856 43 HA3 GLY 7 3HA GLY 7 -1.048 16.325 -5.143 44 H SER 8 H SER 8 1.330 16.589 -6.547 45 HA SER 8 HA SER 8 0.535 17.589 -9.187 46 HB3 SER 8 2HB SER 8 3.021 17.118 -9.696 47 HG SER 8 HG SER 8 3.265 19.162 -9.278 48 H MET 9 H MET 9 0.975 14.707 -7.406 49 HA MET 9 HA MET 9 1.096 13.092 -9.855 50 HB3 MET 9 2HB MET 9 2.154 11.456 -8.676 51 HG3 MET 9 2HG MET 9 3.566 12.278 -6.857 52 HE1 MET 9 3HE MET 9 3.680 12.122 -10.456 53 HE2 MET 9 1HE MET 9 5.397 12.386 -10.148 54 HE3 MET 9 2HE MET 9 4.448 11.382 -9.051 55 H GLN 10 H GLN 10 -0.577 11.858 -10.490 56 HA GLN 10 HA GLN 10 -2.846 11.542 -8.645 57 HB3 GLN 10 2HB GLN 10 -4.391 11.896 -10.521 58 HG3 GLN 10 2HG GLN 10 -2.503 14.039 -9.743 59 HE21 GLN 10 1HE2 GLN 10 -3.794 16.256 -10.247 60 HE22 GLN 10 2HE2 GLN 10 -3.959 16.551 -11.941 61 H ILE 11 H ILE 11 -4.011 9.632 -8.809 62 HA ILE 11 HA ILE 11 -3.234 7.673 -10.817 63 HB ILE 11 HB ILE 11 -1.844 7.568 -8.526 64 HG13 ILE 11 2HG1 ILE 11 -1.727 6.130 -10.631 65 HG21 ILE 11 1HG2 ILE 11 -4.093 7.246 -7.329 66 HG22 ILE 11 2HG2 ILE 11 -4.037 5.603 -7.969 67 HG23 ILE 11 3HG2 ILE 11 -2.760 6.175 -6.895 68 HD11 ILE 11 3HD1 ILE 11 -0.042 5.146 -9.605 69 HD12 ILE 11 1HD1 ILE 11 -0.719 5.590 -8.039 70 HD13 ILE 11 2HD1 ILE 11 -1.168 4.059 -8.793 71 H PHE 12 H PHE 12 -4.523 5.559 -10.394 72 HA PHE 12 HA PHE 12 -7.286 6.358 -9.791 73 HB3 PHE 12 2HB PHE 12 -7.368 3.871 -11.045 74 HD1 PHE 12 2HD PHE 12 -6.766 7.348 -12.270 75 HD2 PHE 12 1HD PHE 12 -9.394 4.004 -12.091 76 HE1 PHE 12 2HE PHE 12 -8.418 8.577 -13.617 77 HE2 PHE 12 1HE PHE 12 -11.050 5.228 -13.437 78 HZ PHE 12 HZ PHE 12 -10.563 7.518 -14.201 79 H VAL 13 H VAL 13 -8.196 5.624 -7.997 80 HA VAL 13 HA VAL 13 -7.305 3.046 -6.897 81 HB VAL 13 HB VAL 13 -7.748 5.582 -5.317 82 HG11 VAL 13 1HG1 VAL 13 -6.761 3.739 -3.562 83 HG12 VAL 13 2HG1 VAL 13 -8.461 4.188 -3.713 84 HG13 VAL 13 3HG1 VAL 13 -7.848 2.760 -4.546 85 HG21 VAL 13 3HG2 VAL 13 -5.502 5.745 -5.066 86 HG22 VAL 13 1HG2 VAL 13 -5.261 3.998 -5.100 87 HG23 VAL 13 2HG2 VAL 13 -5.502 4.885 -6.605 88 H LYS 14 H LYS 14 -8.890 1.748 -6.126 89 HA LYS 14 HA LYS 14 -11.630 2.837 -6.125 90 HB3 LYS 14 2HB LYS 14 -12.388 0.570 -6.792 91 HG3 LYS 14 2HG LYS 14 -11.627 0.565 -9.095 92 HD3 LYS 14 2HD LYS 14 -12.172 2.882 -9.703 93 HE3 LYS 14 2HE LYS 14 -14.343 3.020 -8.660 94 HZ1 LYS 14 3HZ LYS 14 -13.860 1.119 -10.200 95 HZ2 LYS 14 1HZ LYS 14 -15.171 0.887 -9.157 96 HZ3 LYS 14 2HZ LYS 14 -13.691 0.136 -8.834 97 H THR 15 H THR 15 -12.936 2.376 -4.419 98 HA THR 15 HA THR 15 -11.656 1.096 -2.119 99 HB THR 15 HB THR 15 -13.342 2.147 -0.747 100 HG1 THR 15 1HG THR 15 -14.879 3.585 -1.924 101 HG21 THR 15 3HG2 THR 15 -12.027 3.946 -0.815 102 HG22 THR 15 1HG2 THR 15 -13.025 4.576 -2.125 103 HG23 THR 15 2HG2 THR 15 -11.591 3.615 -2.491 104 H LEU 16 H LEU 16 -13.612 0.171 -0.606 105 HA LEU 16 HA LEU 16 -14.419 -2.224 -1.948 106 HB3 LEU 16 2HB LEU 16 -15.334 -2.896 0.183 107 HG LEU 16 HG LEU 16 -12.625 -2.140 -0.047 108 HD11 LEU 16 1HD1 LEU 16 -13.934 -1.190 2.467 109 HD12 LEU 16 2HD1 LEU 16 -12.694 -0.410 1.485 110 HD13 LEU 16 3HD1 LEU 16 -12.278 -1.794 2.496 111 HD21 LEU 16 3HD2 LEU 16 -12.939 -4.356 0.359 112 HD22 LEU 16 1HD2 LEU 16 -14.267 -4.077 1.486 113 HD23 LEU 16 2HD2 LEU 16 -12.601 -3.824 2.007 114 H THR 17 H THR 17 -15.924 0.801 -1.144 115 HA THR 17 HA THR 17 -18.597 -0.196 -1.716 116 HB THR 17 HB THR 17 -18.182 1.476 0.110 117 HG1 THR 17 1HG THR 17 -19.883 2.670 -1.792 118 HG21 THR 17 3HG2 THR 17 -17.791 3.388 -2.195 119 HG22 THR 17 1HG2 THR 17 -16.515 2.835 -1.112 120 HG23 THR 17 2HG2 THR 17 -17.847 3.805 -0.482 121 H GLY 18 H GLY 18 -16.082 1.741 -3.203 122 HA2 GLY 18 2HA GLY 18 -16.205 1.498 -5.727 123 HA3 GLY 18 3HA GLY 18 -17.829 2.144 -5.548 124 H LYS 19 H LYS 19 -16.215 3.707 -3.238 125 HA LYS 19 HA LYS 19 -16.175 6.173 -4.593 126 HB3 LYS 19 2HB LYS 19 -14.408 6.159 -2.304 127 HG3 LYS 19 2HG LYS 19 -15.815 8.068 -3.095 128 HD3 LYS 19 2HD LYS 19 -18.025 6.539 -1.722 129 HE3 LYS 19 2HE LYS 19 -18.222 9.098 -3.287 130 HZ1 LYS 19 3HZ LYS 19 -20.347 9.233 -2.441 131 HZ2 LYS 19 1HZ LYS 19 -20.032 8.189 -1.148 132 HZ3 LYS 19 2HZ LYS 19 -20.199 7.569 -2.713 133 H THR 20 H THR 20 -14.431 7.496 -5.223 134 HA THR 20 HA THR 20 -11.955 6.013 -5.826 135 HB THR 20 HB THR 20 -11.866 8.055 -7.599 136 HG1 THR 20 1HG THR 20 -13.989 8.753 -7.007 137 HG21 THR 20 3HG2 THR 20 -12.593 6.445 -9.285 138 HG22 THR 20 1HG2 THR 20 -13.296 5.429 -8.028 139 HG23 THR 20 2HG2 THR 20 -11.551 5.671 -8.093 140 H ILE 21 H ILE 21 -10.034 6.884 -5.255 141 HA ILE 21 HA ILE 21 -10.011 9.635 -4.218 142 HB ILE 21 HB ILE 21 -8.281 8.705 -2.514 143 HG13 ILE 21 2HG1 ILE 21 -8.350 6.458 -1.959 144 HG21 ILE 21 1HG2 ILE 21 -10.267 9.717 -1.739 145 HG22 ILE 21 2HG2 ILE 21 -11.261 8.376 -2.308 146 HG23 ILE 21 3HG2 ILE 21 -10.181 8.151 -0.933 147 HD11 ILE 21 3HD1 ILE 21 -10.220 4.995 -3.140 148 HD12 ILE 21 1HD1 ILE 21 -10.458 5.746 -1.563 149 HD13 ILE 21 2HD1 ILE 21 -11.109 6.512 -3.012 150 H THR 22 H THR 22 -8.263 10.829 -4.757 151 HA THR 22 HA THR 22 -6.468 9.768 -6.739 152 HB THR 22 HB THR 22 -5.775 12.400 -5.669 153 HG1 THR 22 1HG THR 22 -7.797 13.254 -6.731 154 HG21 THR 22 3HG2 THR 22 -5.533 11.037 -8.049 155 HG22 THR 22 1HG2 THR 22 -5.229 12.757 -7.815 156 HG23 THR 22 2HG2 THR 22 -6.802 12.211 -8.394 157 H LEU 23 H LEU 23 -4.592 8.810 -6.343 158 HA LEU 23 HA LEU 23 -3.287 9.289 -3.747 159 HB3 LEU 23 2HB LEU 23 -2.154 7.034 -4.987 160 HG LEU 23 HG LEU 23 -3.122 5.699 -3.220 161 HD11 LEU 23 1HD1 LEU 23 -2.218 8.432 -2.335 162 HD12 LEU 23 2HD1 LEU 23 -1.223 6.998 -2.581 163 HD13 LEU 23 3HD1 LEU 23 -2.386 7.047 -1.257 164 HD21 LEU 23 3HD2 LEU 23 -5.385 6.537 -3.238 165 HD22 LEU 23 1HD2 LEU 23 -4.842 8.116 -2.672 166 HD23 LEU 23 2HD2 LEU 23 -4.710 6.708 -1.618 167 H GLU 24 H GLU 24 -0.941 9.293 -3.714 168 HA GLU 24 HA GLU 24 0.142 10.580 -6.113 169 HB3 GLU 24 2HB GLU 24 0.810 10.672 -3.204 170 HG3 GLU 24 2HG GLU 24 2.757 11.167 -5.424 171 H VAL 25 H VAL 25 2.090 9.937 -7.051 172 HA VAL 25 HA VAL 25 3.096 7.295 -6.221 173 HB VAL 25 HB VAL 25 3.094 8.110 -9.104 174 HG11 VAL 25 1HG1 VAL 25 3.933 6.074 -9.410 175 HG12 VAL 25 2HG1 VAL 25 4.036 5.909 -7.657 176 HG13 VAL 25 3HG1 VAL 25 2.605 5.337 -8.515 177 HG21 VAL 25 3HG2 VAL 25 0.808 6.810 -7.628 178 HG22 VAL 25 1HG2 VAL 25 0.788 8.359 -8.471 179 HG23 VAL 25 2HG2 VAL 25 0.966 6.861 -9.384 180 H GLU 26 H GLU 26 5.305 6.896 -6.565 181 HA GLU 26 HA GLU 26 7.114 8.559 -7.866 182 HB3 GLU 26 2HB GLU 26 7.795 9.164 -5.134 183 HG3 GLU 26 2HG GLU 26 8.026 10.378 -7.614 184 HA PRO 27 HA PRO 27 9.358 4.859 -6.909 185 HB3 PRO 27 2HB PRO 27 10.201 5.015 -9.041 186 HG3 PRO 27 2HG PRO 27 10.543 7.084 -10.047 187 HD3 PRO 27 2HD PRO 27 8.374 7.353 -9.314 188 H SER 28 H SER 28 10.163 8.040 -5.914 189 HA SER 28 HA SER 28 12.280 7.019 -4.141 190 HB3 SER 28 2HB SER 28 12.906 8.875 -5.703 191 HG SER 28 HG SER 28 11.756 10.840 -4.250 192 H ASP 29 H ASP 29 9.082 8.082 -4.224 193 HA ASP 29 HA ASP 29 9.115 8.837 -1.384 194 HB3 ASP 29 2HB ASP 29 6.971 9.883 -1.751 195 H THR 30 H THR 30 8.179 7.590 0.119 196 HA THR 30 HA THR 30 6.962 5.080 -0.773 197 HB THR 30 HB THR 30 8.782 4.782 0.779 198 HG1 THR 30 1HG THR 30 7.574 3.240 1.561 199 HG21 THR 30 3HG2 THR 30 7.541 7.051 2.114 200 HG22 THR 30 1HG2 THR 30 9.196 6.451 2.215 201 HG23 THR 30 2HG2 THR 30 7.938 5.744 3.229 202 H ILE 31 H ILE 31 5.221 4.225 0.785 203 HA ILE 31 HA ILE 31 2.927 5.738 0.554 204 HB ILE 31 HB ILE 31 3.620 3.489 2.423 205 HG13 ILE 31 2HG1 ILE 31 2.027 3.804 -0.109 206 HG21 ILE 31 1HG2 ILE 31 1.023 3.451 2.716 207 HG22 ILE 31 2HG2 ILE 31 2.019 4.484 3.740 208 HG23 ILE 31 3HG2 ILE 31 1.160 5.173 2.363 209 HD11 ILE 31 3HD1 ILE 31 4.291 2.048 0.758 210 HD12 ILE 31 1HD1 ILE 31 3.268 1.636 -0.618 211 HD13 ILE 31 2HD1 ILE 31 4.197 3.136 -0.627 212 H GLU 32 H GLU 32 5.365 5.824 3.036 213 HA GLU 32 HA GLU 32 4.033 6.996 5.148 214 HB3 GLU 32 2HB GLU 32 6.301 8.194 5.533 215 HG3 GLU 32 2HG GLU 32 5.789 6.159 6.715 216 H ASN 33 H ASN 33 5.703 8.696 2.495 217 HA ASN 33 HA ASN 33 4.639 11.242 3.295 218 HB3 ASN 33 2HB ASN 33 5.644 11.933 1.017 219 HD21 ASN 33 1HD2 ASN 33 7.696 12.832 1.101 220 HD22 ASN 33 2HD2 ASN 33 8.672 12.765 2.526 221 H VAL 34 H VAL 34 3.969 8.884 0.751 222 HA VAL 34 HA VAL 34 2.162 10.343 -0.775 223 HB VAL 34 HB VAL 34 1.969 7.385 -0.198 224 HG11 VAL 34 1HG1 VAL 34 0.764 7.187 -2.193 225 HG12 VAL 34 2HG1 VAL 34 0.087 8.623 -1.421 226 HG13 VAL 34 3HG1 VAL 34 1.240 8.793 -2.746 227 HG21 VAL 34 3HG2 VAL 34 3.281 7.901 -2.654 228 HG22 VAL 34 1HG2 VAL 34 4.086 8.855 -1.408 229 HG23 VAL 34 2HG2 VAL 34 3.924 7.109 -1.216 230 H LYS 35 H LYS 35 1.724 8.692 2.279 231 HA LYS 35 HA LYS 35 -1.027 8.485 2.420 232 HB3 LYS 35 2HB LYS 35 0.868 7.836 4.118 233 HG3 LYS 35 2HG LYS 35 -0.176 10.301 5.476 234 HD3 LYS 35 2HD LYS 35 1.852 8.184 6.107 235 HE3 LYS 35 2HE LYS 35 1.681 10.539 7.879 236 HZ1 LYS 35 3HZ LYS 35 3.520 9.620 8.666 237 HZ2 LYS 35 1HZ LYS 35 4.273 9.659 7.150 238 HZ3 LYS 35 2HZ LYS 35 3.314 8.335 7.585 239 H ALA 36 H ALA 36 0.986 11.318 2.668 240 HA ALA 36 HA ALA 36 -0.880 13.063 3.862 241 HB1 ALA 36 1HB ALA 36 0.820 14.489 3.776 242 HB2 ALA 36 2HB ALA 36 1.753 13.234 2.960 243 HB3 ALA 36 3HB ALA 36 0.861 14.426 2.014 244 H LYS 37 H LYS 37 -0.413 11.978 0.575 245 HA LYS 37 HA LYS 37 -2.085 13.978 -0.617 246 HB3 LYS 37 2HB LYS 37 -1.982 11.763 -2.336 247 HG3 LYS 37 2HG LYS 37 -1.404 14.363 -2.576 248 HD3 LYS 37 2HD LYS 37 1.150 14.005 -3.420 249 HE3 LYS 37 2HE LYS 37 -0.118 15.198 -1.035 250 HZ1 LYS 37 3HZ LYS 37 1.872 14.145 -0.092 251 HZ2 LYS 37 1HZ LYS 37 1.974 15.834 -0.069 252 HZ3 LYS 37 2HZ LYS 37 2.836 14.951 -1.226 253 H ILE 38 H ILE 38 -2.491 10.505 0.065 254 HA ILE 38 HA ILE 38 -5.194 10.389 -0.753 255 HB ILE 38 HB ILE 38 -3.878 8.363 -0.604 256 HG13 ILE 38 2HG1 ILE 38 -6.022 8.225 1.519 257 HG21 ILE 38 1HG2 ILE 38 -2.950 7.496 1.360 258 HG22 ILE 38 2HG2 ILE 38 -2.588 9.220 1.432 259 HG23 ILE 38 3HG2 ILE 38 -3.912 8.557 2.389 260 HD11 ILE 38 3HD1 ILE 38 -6.283 8.636 -1.406 261 HD12 ILE 38 1HD1 ILE 38 -7.398 7.526 -0.610 262 HD13 ILE 38 2HD1 ILE 38 -7.301 9.207 -0.084 263 H GLN 39 H GLN 39 -3.669 10.846 2.411 264 HA GLN 39 HA GLN 39 -5.913 10.734 4.031 265 HB3 GLN 39 2HB GLN 39 -3.515 12.551 4.335 266 HG3 GLN 39 2HG GLN 39 -5.640 12.824 5.857 267 HE21 GLN 39 1HE2 GLN 39 -3.238 10.379 6.780 268 HE22 GLN 39 2HE2 GLN 39 -4.297 9.480 7.808 269 H ASP 40 H ASP 40 -4.835 13.267 1.892 270 HA ASP 40 HA ASP 40 -6.588 15.278 2.947 271 HB3 ASP 40 2HB ASP 40 -5.988 16.230 0.504 272 H LYS 41 H LYS 41 -6.824 12.743 0.600 273 HA LYS 41 HA LYS 41 -9.112 13.793 -0.769 274 HB3 LYS 41 2HB LYS 41 -9.222 11.609 -1.848 275 HG3 LYS 41 2HG LYS 41 -6.983 11.408 -2.788 276 HD3 LYS 41 2HD LYS 41 -7.990 14.211 -2.335 277 HE3 LYS 41 2HE LYS 41 -5.634 13.218 -3.854 278 HZ1 LYS 41 3HZ LYS 41 -6.518 15.722 -4.858 279 HZ2 LYS 41 1HZ LYS 41 -7.660 14.518 -5.185 280 HZ3 LYS 41 2HZ LYS 41 -6.062 14.332 -5.706 281 H GLU 42 H GLU 42 -8.666 11.082 1.508 282 HA GLU 42 HA GLU 42 -11.466 11.462 2.343 283 HB3 GLU 42 2HB GLU 42 -11.258 8.898 2.880 284 HG3 GLU 42 2HG GLU 42 -11.595 9.874 0.053 285 H GLY 43 H GLY 43 -8.194 10.531 3.245 286 HA2 GLY 43 2HA GLY 43 -7.216 11.192 5.308 287 HA3 GLY 43 3HA GLY 43 -8.824 11.269 6.014 288 H ILE 44 H ILE 44 -7.908 8.537 4.081 289 HA ILE 44 HA ILE 44 -8.447 6.724 6.208 290 HB ILE 44 HB ILE 44 -7.178 6.219 3.513 291 HG13 ILE 44 2HG1 ILE 44 -9.412 5.429 2.869 292 HG21 ILE 44 1HG2 ILE 44 -6.663 4.484 5.205 293 HG22 ILE 44 2HG2 ILE 44 -8.394 4.234 5.427 294 HG23 ILE 44 3HG2 ILE 44 -7.645 3.884 3.869 295 HD11 ILE 44 3HD1 ILE 44 -9.949 5.531 5.660 296 HD12 ILE 44 1HD1 ILE 44 -11.047 6.627 4.822 297 HD13 ILE 44 2HD1 ILE 44 -10.967 4.929 4.352 298 HA PRO 45 HA PRO 45 -4.446 6.644 8.091 299 HB3 PRO 45 2HB PRO 45 -5.536 5.955 9.992 300 HG3 PRO 45 2HG PRO 45 -7.443 4.631 9.869 301 HD3 PRO 45 2HD PRO 45 -8.019 6.295 8.382 302 HA PRO 46 HA PRO 46 -2.420 3.879 5.205 303 HB3 PRO 46 2HB PRO 46 -0.984 5.618 4.769 304 HG3 PRO 46 2HG PRO 46 -0.504 7.213 6.391 305 HD3 PRO 46 2HD PRO 46 -2.806 7.217 6.499 306 H ASP 47 H ASP 47 -1.885 4.148 8.640 307 HA ASP 47 HA ASP 47 -0.040 2.081 9.022 308 HB3 ASP 47 2HB ASP 47 -0.430 3.464 10.882 309 H GLN 48 H GLN 48 -3.542 2.020 8.674 310 HA GLN 48 HA GLN 48 -3.484 -0.914 8.864 311 HB3 GLN 48 2HB GLN 48 -6.066 0.555 8.776 312 HG3 GLN 48 2HG GLN 48 -5.727 -1.972 9.116 313 HE21 GLN 48 1HE2 GLN 48 -5.624 -3.594 10.737 314 HE22 GLN 48 2HE2 GLN 48 -4.654 -3.369 12.149 315 H GLN 49 H GLN 49 -3.870 1.704 6.710 316 HA GLN 49 HA GLN 49 -5.594 0.805 4.775 317 HB3 GLN 49 2HB GLN 49 -2.947 2.182 4.294 318 HG3 GLN 49 2HG GLN 49 -5.402 1.883 2.611 319 HE21 GLN 49 1HE2 GLN 49 -6.294 3.740 2.052 320 HE22 GLN 49 2HE2 GLN 49 -5.447 5.169 1.578 321 H ARG 50 H ARG 50 -5.598 -0.717 3.215 322 HA ARG 50 HA ARG 50 -3.308 -2.553 3.150 323 HB3 ARG 50 2HB ARG 50 -4.772 -4.263 2.534 324 HG3 ARG 50 2HG ARG 50 -6.936 -2.837 3.923 325 HD3 ARG 50 2HD ARG 50 -6.647 -5.355 3.521 326 HE ARG 50 HE ARG 50 -4.317 -5.003 5.008 327 HH11 ARG 50 1HH1 ARG 50 -7.140 -7.041 4.997 328 HH12 ARG 50 2HH1 ARG 50 -6.328 -8.393 5.712 329 HH21 ARG 50 1HH2 ARG 50 -3.236 -6.778 5.951 330 HH22 ARG 50 2HH2 ARG 50 -4.107 -8.242 6.255 331 H LEU 51 H LEU 51 -2.331 -3.155 1.235 332 HA LEU 51 HA LEU 51 -2.906 -1.403 -1.056 333 HB3 LEU 51 2HB LEU 51 -0.525 -2.378 -1.701 334 HG LEU 51 HG LEU 51 -0.969 0.041 -1.268 335 HD11 LEU 51 1HD1 LEU 51 -1.828 -0.139 0.997 336 HD12 LEU 51 2HD1 LEU 51 -0.427 0.931 0.948 337 HD13 LEU 51 3HD1 LEU 51 -0.259 -0.713 1.564 338 HD21 LEU 51 3HD2 LEU 51 1.229 0.447 -1.427 339 HD22 LEU 51 1HD2 LEU 51 1.395 -1.309 -1.399 340 HD23 LEU 51 2HD2 LEU 51 1.593 -0.382 0.088 341 H ILE 52 H ILE 52 -3.514 -2.236 -2.963 342 HA ILE 52 HA ILE 52 -3.330 -5.153 -3.325 343 HB ILE 52 HB ILE 52 -5.692 -3.358 -3.758 344 HG13 ILE 52 2HG1 ILE 52 -5.258 -6.061 -2.474 345 HG21 ILE 52 1HG2 ILE 52 -6.670 -5.423 -4.968 346 HG22 ILE 52 2HG2 ILE 52 -5.635 -4.316 -5.869 347 HG23 ILE 52 3HG2 ILE 52 -4.984 -5.842 -5.269 348 HD11 ILE 52 3HD1 ILE 52 -4.754 -4.712 -0.747 349 HD12 ILE 52 1HD1 ILE 52 -5.596 -3.326 -1.439 350 HD13 ILE 52 2HD1 ILE 52 -6.509 -4.594 -0.621 351 H PHE 53 H PHE 53 -2.121 -5.628 -5.025 352 HA PHE 53 HA PHE 53 -2.164 -3.803 -7.338 353 HB3 PHE 53 2HB PHE 53 0.154 -5.257 -6.078 354 HD1 PHE 53 2HD PHE 53 -0.928 -3.562 -9.197 355 HD2 PHE 53 1HD PHE 53 2.079 -5.847 -7.236 356 HE1 PHE 53 2HE PHE 53 0.257 -3.830 -11.337 357 HE2 PHE 53 1HE PHE 53 3.270 -6.118 -9.372 358 HZ PHE 53 HZ PHE 53 2.359 -5.111 -11.426 359 H ALA 54 H ALA 54 -3.239 -4.761 -8.931 360 HA ALA 54 HA ALA 54 -4.040 -6.340 -10.366 361 HB1 ALA 54 1HB ALA 54 -1.223 -7.294 -9.933 362 HB2 ALA 54 2HB ALA 54 -2.319 -8.062 -11.083 363 HB3 ALA 54 3HB ALA 54 -1.873 -6.368 -11.286 364 H GLY 55 H GLY 55 -4.568 -6.736 -7.528 365 HA2 GLY 55 2HA GLY 55 -5.977 -8.396 -6.599 366 HA3 GLY 55 3HA GLY 55 -5.245 -9.582 -7.671 367 H LYS 56 H LYS 56 -2.530 -8.505 -6.908 368 HA LYS 56 HA LYS 56 -2.277 -10.085 -4.454 369 HB3 LYS 56 2HB LYS 56 -0.009 -9.078 -6.161 370 HG3 LYS 56 2HG LYS 56 -0.246 -11.566 -4.482 371 HD3 LYS 56 2HD LYS 56 2.256 -11.534 -4.768 372 HE3 LYS 56 2HE LYS 56 0.807 -11.779 -7.394 373 HZ1 LYS 56 3HZ LYS 56 2.582 -12.920 -8.036 374 HZ2 LYS 56 1HZ LYS 56 2.588 -13.868 -6.634 375 HZ3 LYS 56 2HZ LYS 56 3.379 -12.373 -6.647 376 H GLN 57 H GLN 57 -1.940 -9.138 -2.557 377 HA GLN 57 HA GLN 57 -1.565 -6.281 -2.414 378 HB3 GLN 57 2HB GLN 57 -3.103 -7.437 -0.878 379 HG3 GLN 57 2HG GLN 57 -1.780 -8.492 1.153 380 HE21 GLN 57 1HE2 GLN 57 -1.573 -11.021 0.989 381 HE22 GLN 57 2HE2 GLN 57 -2.851 -11.777 0.106 382 H LEU 58 H LEU 58 0.138 -5.225 -1.295 383 HA LEU 58 HA LEU 58 2.628 -6.797 -1.166 384 HB3 LEU 58 2HB LEU 58 3.854 -4.921 -1.936 385 HG LEU 58 HG LEU 58 3.184 -4.572 -4.122 386 HD11 LEU 58 1HD1 LEU 58 3.011 -7.075 -3.134 387 HD12 LEU 58 2HD1 LEU 58 2.837 -6.675 -4.843 388 HD13 LEU 58 3HD1 LEU 58 1.404 -6.898 -3.839 389 HD21 LEU 58 3HD2 LEU 58 1.198 -3.746 -4.673 390 HD22 LEU 58 1HD2 LEU 58 0.735 -3.864 -2.975 391 HD23 LEU 58 2HD2 LEU 58 0.373 -5.189 -4.082 392 H GLU 59 H GLU 59 4.283 -4.964 0.000 393 HA GLU 59 HA GLU 59 3.126 -4.764 2.691 394 HB3 GLU 59 2HB GLU 59 5.377 -4.794 3.535 395 HG3 GLU 59 2HG GLU 59 6.323 -6.866 2.595 396 H ASP 60 H ASP 60 4.827 -2.955 3.848 397 HA ASP 60 HA ASP 60 4.685 -0.500 2.274 398 HB3 ASP 60 2HB ASP 60 3.761 0.115 4.914 399 H GLY 61 H GLY 61 6.228 0.998 2.801 400 HA2 GLY 61 2HA GLY 61 7.653 1.903 4.646 401 HA3 GLY 61 3HA GLY 61 8.064 0.228 4.986 402 H ARG 62 H ARG 62 7.787 0.452 1.719 403 HA ARG 62 HA ARG 62 10.602 1.227 1.353 404 HB3 ARG 62 2HB ARG 62 9.311 -1.052 -0.136 405 HG3 ARG 62 2HG ARG 62 11.997 0.130 -0.051 406 HD3 ARG 62 2HD ARG 62 12.031 -2.203 1.148 407 HE ARG 62 HE ARG 62 11.181 -3.005 -1.427 408 HH11 ARG 62 1HH1 ARG 62 13.416 -3.849 1.104 409 HH12 ARG 62 2HH1 ARG 62 13.449 -5.531 0.693 410 HH21 ARG 62 1HH2 ARG 62 11.215 -5.218 -1.979 411 HH22 ARG 62 2HH2 ARG 62 12.198 -6.310 -1.061 412 H THR 63 H THR 63 11.132 1.677 -0.961 413 HA THR 63 HA THR 63 9.040 3.343 -2.094 414 HB THR 63 HB THR 63 10.712 4.336 -3.455 415 HG1 THR 63 1HG THR 63 12.628 2.417 -2.637 416 HG21 THR 63 3HG2 THR 63 12.186 3.684 -0.913 417 HG22 THR 63 1HG2 THR 63 10.800 4.772 -0.953 418 HG23 THR 63 2HG2 THR 63 12.257 5.165 -1.866 419 H LEU 64 H LEU 64 8.887 3.375 -4.554 420 HA LEU 64 HA LEU 64 8.042 0.799 -5.426 421 HB3 LEU 64 2HB LEU 64 7.223 1.857 -7.334 422 HG LEU 64 HG LEU 64 7.287 4.196 -5.432 423 HD11 LEU 64 1HD1 LEU 64 5.038 4.590 -6.518 424 HD12 LEU 64 2HD1 LEU 64 5.516 3.400 -7.728 425 HD13 LEU 64 3HD1 LEU 64 6.453 4.881 -7.529 426 HD21 LEU 64 3HD2 LEU 64 5.224 3.313 -4.496 427 HD22 LEU 64 1HD2 LEU 64 6.545 2.166 -4.273 428 HD23 LEU 64 2HD2 LEU 64 5.342 1.891 -5.533 429 H SER 65 H SER 65 10.866 2.797 -6.005 430 HA SER 65 HA SER 65 11.900 1.254 -8.162 431 HB3 SER 65 2HB SER 65 13.289 3.164 -6.265 432 HG SER 65 HG SER 65 14.979 3.095 -7.647 433 H GLU 66 H GLU 66 12.150 1.083 -4.681 434 HA GLU 66 HA GLU 66 14.340 -0.758 -4.643 435 HB3 GLU 66 2HB GLU 66 13.348 -1.122 -2.224 436 HG3 GLU 66 2HG GLU 66 14.453 0.865 -1.393 437 H TYR 67 H TYR 67 10.825 -1.035 -4.466 438 HA TYR 67 HA TYR 67 10.968 -3.923 -4.201 439 HB3 TYR 67 2HB TYR 67 8.317 -2.950 -4.762 440 HD1 TYR 67 1HD TYR 67 8.845 -5.597 -4.339 441 HD2 TYR 67 2HD TYR 67 8.636 -2.568 -1.357 442 HE1 TYR 67 1HE TYR 67 8.334 -7.307 -2.647 443 HE2 TYR 67 2HE TYR 67 8.125 -4.271 0.344 444 HH TYR 67 HH TYR 67 8.696 -7.378 0.066 445 H ASN 68 H ASN 68 11.140 -1.737 -6.699 446 HA ASN 68 HA ASN 68 10.870 -1.841 -8.960 447 HB3 ASN 68 2HB ASN 68 11.263 -4.177 -9.928 448 HD21 ASN 68 1HD2 ASN 68 13.541 -5.210 -8.210 449 HD22 ASN 68 2HD2 ASN 68 14.816 -4.079 -8.490 450 H ILE 69 H ILE 69 8.463 -1.615 -7.708 451 HA ILE 69 HA ILE 69 6.706 -3.501 -9.130 452 HB ILE 69 HB ILE 69 4.923 -2.600 -7.557 453 HG13 ILE 69 2HG1 ILE 69 6.285 -0.595 -6.883 454 HG21 ILE 69 1HG2 ILE 69 5.250 -4.507 -6.466 455 HG22 ILE 69 2HG2 ILE 69 6.813 -4.637 -7.270 456 HG23 ILE 69 3HG2 ILE 69 6.699 -3.873 -5.685 457 HD11 ILE 69 3HD1 ILE 69 5.932 -1.736 -4.260 458 HD12 ILE 69 1HD1 ILE 69 5.078 -0.403 -5.038 459 HD13 ILE 69 2HD1 ILE 69 4.547 -2.065 -5.302 460 H GLN 70 H GLN 70 4.823 -2.678 -10.181 461 HA GLN 70 HA GLN 70 5.263 -0.020 -11.309 462 HB3 GLN 70 2HB GLN 70 4.955 -1.763 -12.934 463 HG3 GLN 70 2HG GLN 70 2.662 -2.538 -11.235 464 HE21 GLN 70 1HE2 GLN 70 3.239 -4.298 -14.076 465 HE22 GLN 70 2HE2 GLN 70 1.776 -3.903 -14.904 466 H LYS 71 H LYS 71 4.555 0.723 -9.046 467 HA LYS 71 HA LYS 71 1.701 0.661 -8.572 468 HB3 LYS 71 2HB LYS 71 3.740 2.335 -7.110 469 HG3 LYS 71 2HG LYS 71 1.576 0.985 -5.659 470 HD3 LYS 71 2HD LYS 71 3.319 2.726 -4.855 471 HE3 LYS 71 2HE LYS 71 1.240 4.502 -6.131 472 HZ1 LYS 71 3HZ LYS 71 3.517 5.753 -4.920 473 HZ2 LYS 71 1HZ LYS 71 2.538 4.961 -3.790 474 HZ3 LYS 71 2HZ LYS 71 1.876 6.148 -4.797 475 H GLU 72 H GLU 72 3.440 2.253 -10.753 476 HA GLU 72 HA GLU 72 2.145 4.855 -10.395 477 HB3 GLU 72 2HB GLU 72 4.121 4.108 -12.545 478 HG3 GLU 72 2HG GLU 72 4.171 6.776 -11.348 479 H SER 73 H SER 73 0.842 2.280 -11.294 480 HA SER 73 HA SER 73 -0.249 3.294 -13.838 481 HB3 SER 73 2HB SER 73 -0.835 0.846 -14.277 482 HG SER 73 HG SER 73 1.779 0.584 -14.357 483 H THR 74 H THR 74 -1.430 0.600 -11.914 484 HA THR 74 HA THR 74 -3.744 2.198 -11.072 485 HB THR 74 HB THR 74 -4.404 -0.561 -11.856 486 HG1 THR 74 1HG THR 74 -3.284 -0.258 -13.687 487 HG21 THR 74 3HG2 THR 74 -5.787 1.719 -11.236 488 HG22 THR 74 1HG2 THR 74 -6.466 0.315 -12.059 489 HG23 THR 74 2HG2 THR 74 -5.888 1.693 -12.996 490 H LEU 75 H LEU 75 -3.555 2.143 -8.917 491 HA LEU 75 HA LEU 75 -3.366 -0.490 -7.630 492 HB3 LEU 75 2HB LEU 75 -2.171 1.308 -5.866 493 HG LEU 75 HG LEU 75 0.024 0.193 -6.552 494 HD11 LEU 75 1HD1 LEU 75 -1.323 -2.132 -5.841 495 HD12 LEU 75 2HD1 LEU 75 -2.292 -0.824 -5.162 496 HD13 LEU 75 3HD1 LEU 75 -0.582 -0.959 -4.752 497 HD21 LEU 75 3HD2 LEU 75 0.027 -1.558 -8.063 498 HD22 LEU 75 1HD2 LEU 75 -1.023 -0.384 -8.854 499 HD23 LEU 75 2HD2 LEU 75 -1.725 -1.757 -7.997 500 H HIS 76 H HIS 76 -4.954 -0.843 -6.227 501 HA HIS 76 HA HIS 76 -6.484 1.473 -5.247 502 HB3 HIS 76 2HB HIS 76 -8.427 0.110 -5.181 503 HD1 HIS 76 1HD HIS 76 -6.646 1.431 -7.640 504 HD2 HIS 76 2HD HIS 76 -9.045 -1.961 -7.668 505 HE1 HIS 76 1HE HIS 76 -7.289 1.082 -10.046 506 H LEU 77 H LEU 77 -5.799 1.974 -3.260 507 HA LEU 77 HA LEU 77 -5.656 -0.191 -1.276 508 HB3 LEU 77 2HB LEU 77 -3.393 0.366 -1.748 509 HG LEU 77 HG LEU 77 -4.298 3.135 -1.909 510 HD11 LEU 77 1HD1 LEU 77 -1.692 3.494 -1.028 511 HD12 LEU 77 2HD1 LEU 77 -2.420 2.422 0.168 512 HD13 LEU 77 3HD1 LEU 77 -3.168 3.978 -0.192 513 HD21 LEU 77 3HD2 LEU 77 -1.853 3.086 -2.988 514 HD22 LEU 77 1HD2 LEU 77 -3.287 2.506 -3.835 515 HD23 LEU 77 2HD2 LEU 77 -2.215 1.360 -3.029 516 H VAL 78 H VAL 78 -7.584 0.216 -0.297 517 HA VAL 78 HA VAL 78 -7.735 2.656 1.286 518 HB VAL 78 HB VAL 78 -10.236 1.876 -0.147 519 HG11 VAL 78 1HG1 VAL 78 -9.154 4.227 1.305 520 HG12 VAL 78 2HG1 VAL 78 -10.310 4.524 0.006 521 HG13 VAL 78 3HG1 VAL 78 -10.757 3.495 1.367 522 HG21 VAL 78 3HG2 VAL 78 -8.047 3.590 -1.316 523 HG22 VAL 78 1HG2 VAL 78 -8.667 2.072 -1.965 524 HG23 VAL 78 2HG2 VAL 78 -9.694 3.506 -1.938 525 H LEU 79 H LEU 79 -8.470 2.254 3.278 526 HA LEU 79 HA LEU 79 -9.796 -0.333 3.756 527 HB3 LEU 79 2HB LEU 79 -8.193 1.265 5.742 528 HG LEU 79 HG LEU 79 -9.616 -0.371 6.845 529 HD11 LEU 79 1HD1 LEU 79 -10.190 -2.084 5.489 530 HD12 LEU 79 2HD1 LEU 79 -8.797 -2.850 6.252 531 HD13 LEU 79 3HD1 LEU 79 -8.631 -2.102 4.665 532 HD21 LEU 79 3HD2 LEU 79 -7.974 -0.831 8.274 533 HD22 LEU 79 1HD2 LEU 79 -6.860 -0.138 7.096 534 HD23 LEU 79 2HD2 LEU 79 -7.160 -1.876 7.110 535 H ARG 80 H ARG 80 -11.893 -0.091 4.130 536 HA ARG 80 HA ARG 80 -13.894 0.804 4.761 537 HB3 ARG 80 2HB ARG 80 -12.254 1.733 7.126 538 HG3 ARG 80 2HG ARG 80 -15.011 0.813 7.521 539 HD3 ARG 80 2HD ARG 80 -14.983 2.904 8.960 540 HE ARG 80 HE ARG 80 -13.679 0.467 9.487 541 HH11 ARG 80 1HH1 ARG 80 -13.869 3.736 10.670 542 HH12 ARG 80 2HH1 ARG 80 -13.477 3.306 12.303 543 HH21 ARG 80 1HH2 ARG 80 -13.162 -0.111 11.632 544 HH22 ARG 80 2HH2 ARG 80 -13.075 1.118 12.848 545 H LEU 81 H LEU 81 -13.962 2.338 3.044 546 HA LEU 81 HA LEU 81 -12.853 4.865 3.001 547 HB3 LEU 81 2HB LEU 81 -13.902 4.135 1.046 548 HG LEU 81 HG LEU 81 -16.496 3.976 0.971 549 HD11 LEU 81 1HD1 LEU 81 -15.529 1.528 2.224 550 HD12 LEU 81 2HD1 LEU 81 -14.459 2.144 0.965 551 HD13 LEU 81 3HD1 LEU 81 -16.149 1.804 0.596 552 HD21 LEU 81 3HD2 LEU 81 -15.984 3.138 3.821 553 HD22 LEU 81 1HD2 LEU 81 -17.517 3.069 2.954 554 HD23 LEU 81 2HD2 LEU 81 -16.793 4.630 3.342 555 H ARG 82 H ARG 82 -14.267 6.944 3.086 556 HA ARG 82 HA ARG 82 -16.256 7.024 5.158 557 HB3 ARG 82 2HB ARG 82 -13.682 8.508 5.678 558 HG3 ARG 82 2HG ARG 82 -16.174 8.043 7.271 559 HD3 ARG 82 2HD ARG 82 -13.431 8.780 8.277 560 HE ARG 82 HE ARG 82 -15.839 9.764 9.276 561 HH11 ARG 82 1HH1 ARG 82 -13.046 8.020 10.407 562 HH12 ARG 82 2HH1 ARG 82 -13.155 8.634 12.023 563 HH21 ARG 82 1HH2 ARG 82 -15.994 10.579 11.401 564 HH22 ARG 82 2HH2 ARG 82 -14.833 10.089 12.588 565 H GLY 83 H GLY 83 -17.695 8.329 4.238 566 HA2 GLY 83 2HA GLY 83 -16.794 10.507 2.515 567 HA3 GLY 83 3HA GLY 83 -18.445 9.929 2.682 568 H TYR 84 H TYR 84 -18.255 10.019 5.643 569 HA TYR 84 HA TYR 84 -19.274 12.629 6.010 570 HB3 TYR 84 2HB TYR 84 -19.473 12.053 8.340 571 HD1 TYR 84 2HD TYR 84 -21.295 11.673 6.135 572 HD2 TYR 84 1HD TYR 84 -19.384 8.747 8.563 573 HE1 TYR 84 2HE TYR 84 -23.120 10.096 5.659 574 HE2 TYR 84 1HE TYR 84 -21.205 7.161 8.093 575 HH TYR 84 HH TYR 84 -23.903 7.632 7.324 576 H ALA 85 H ALA 85 -18.366 13.883 8.070 577 HA ALA 85 HA ALA 85 -16.754 15.265 8.893 578 HB1 ALA 85 1HB ALA 85 -15.214 13.947 9.797 579 HB2 ALA 85 2HB ALA 85 -15.465 12.717 8.558 580 HB3 ALA 85 3HB ALA 85 -14.321 14.031 8.277 581 H ASP 86 H ASP 86 -16.703 17.082 7.722 582 HA ASP 86 HA ASP 86 -15.919 17.185 4.988 583 HB3 ASP 86 2HB ASP 86 -17.488 18.780 6.268 584 H LEU 87 H LEU 87 -14.319 19.376 4.719 585 HA LEU 87 HA LEU 87 -11.756 18.364 4.851 586 HB3 LEU 87 2HB LEU 87 -11.009 20.746 4.611 587 HG LEU 87 HG LEU 87 -12.162 19.272 2.670 588 HD11 LEU 87 1HD1 LEU 87 -13.640 21.313 1.655 589 HD12 LEU 87 2HD1 LEU 87 -14.066 21.389 3.364 590 HD13 LEU 87 3HD1 LEU 87 -14.305 19.893 2.462 591 HD21 LEU 87 3HD2 LEU 87 -11.656 22.056 1.871 592 HD22 LEU 87 1HD2 LEU 87 -10.918 20.556 1.307 593 HD23 LEU 87 2HD2 LEU 87 -10.371 21.297 2.812 594 H ARG 88 H ARG 88 -10.218 18.206 6.365 595 HA ARG 88 HA ARG 88 -10.559 19.702 8.874 596 HB3 ARG 88 2HB ARG 88 -11.349 17.412 9.233 597 HG3 ARG 88 2HG ARG 88 -8.701 16.676 8.078 598 HD3 ARG 88 2HD ARG 88 -9.046 15.783 10.494 599 HE ARG 88 HE ARG 88 -11.046 14.671 10.644 600 HH11 ARG 88 1HH1 ARG 88 -9.414 13.726 7.718 601 HH12 ARG 88 2HH1 ARG 88 -10.523 12.446 7.358 602 HH21 ARG 88 1HH2 ARG 88 -12.514 12.987 10.180 603 HH22 ARG 88 2HH2 ARG 88 -12.287 12.027 8.758 604 H GLU 89 H GLU 89 -8.376 18.970 10.247 605 HA GLU 89 HA GLU 89 -6.318 20.469 9.148 606 HB3 GLU 89 2HB GLU 89 -6.110 18.260 11.202 607 HG3 GLU 89 2HG GLU 89 -3.898 18.815 10.510 608 H ASP 90 H ASP 90 -5.549 19.995 7.166 609 HA ASP 90 HA ASP 90 -5.128 17.362 6.198 610 HB3 ASP 90 2HB ASP 90 -5.477 19.010 4.550 611 HA PRO 91 HA PRO 91 -1.159 16.306 7.738 612 HB3 PRO 91 2HB PRO 91 -1.385 14.304 6.634 613 HG3 PRO 91 2HG PRO 91 -2.393 14.195 4.542 614 HD3 PRO 91 2HD PRO 91 -3.980 15.415 5.684 615 H ASP 92 H ASP 92 -0.569 18.654 7.716 616 HA ASP 92 HA ASP 92 1.955 19.031 6.543 617 HB3 ASP 92 2HB ASP 92 -0.308 20.535 5.215 618 H ARG 93 H ARG 93 3.029 20.746 7.454 619 HA ARG 93 HA ARG 93 2.053 21.800 9.852 620 HB3 ARG 93 2HB ARG 93 4.007 23.440 9.576 621 HG3 ARG 93 2HG ARG 93 4.719 20.534 9.258 622 HD3 ARG 93 2HD ARG 93 6.494 22.411 9.208 623 HE ARG 93 HE ARG 93 5.475 22.807 11.869 624 HH11 ARG 93 1HH1 ARG 93 8.258 23.052 9.792 625 HH12 ARG 93 2HH1 ARG 93 9.034 24.265 10.755 626 HH21 ARG 93 1HH2 ARG 93 6.486 24.404 13.146 627 HH22 ARG 93 2HH2 ARG 93 8.025 25.032 12.664 628 H GLN 94 H GLN 94 2.205 24.325 10.208 629 HA GLN 94 HA GLN 94 -0.069 25.466 9.109 630 HB3 GLN 94 2HB GLN 94 0.648 27.549 10.098 631 HG3 GLN 94 2HG GLN 94 1.901 25.579 11.949 632 HE21 GLN 94 1HE2 GLN 94 -0.832 26.247 13.322 633 HE22 GLN 94 2HE2 GLN 94 -0.490 27.748 14.105 634 H ASP 95 H ASP 95 -0.517 26.299 7.188 635 HA ASP 95 HA ASP 95 1.217 27.974 5.726 636 HB3 ASP 95 2HB ASP 95 1.036 25.103 4.818 637 H HIS 96 H HIS 96 0.225 28.872 3.881 638 HA HIS 96 HA HIS 96 -2.467 27.955 3.216 639 HB3 HIS 96 2HB HIS 96 -2.739 29.636 5.014 640 HD1 HIS 96 1HD HIS 96 -2.854 32.465 2.817 641 HD2 HIS 96 2HD HIS 96 -0.018 30.829 5.374 642 HE1 HIS 96 1HE HIS 96 -1.197 34.307 3.249 643 H HIS 97 H HIS 97 -3.330 29.742 1.486 644 HA HIS 97 HA HIS 97 -1.516 30.981 -0.229 645 HB3 HIS 97 2HB HIS 97 -2.248 28.789 -1.914 646 HD1 HIS 97 1HD HIS 97 0.608 30.439 -0.063 647 HD2 HIS 97 2HD HIS 97 -0.166 28.535 -3.674 648 HE1 HIS 97 1HE HIS 97 2.683 30.756 -1.449 649 HA PRO 98 HA PRO 98 -5.698 30.411 -2.570 650 HB3 PRO 98 2HB PRO 98 -6.288 28.192 -2.650 651 HG3 PRO 98 2HG PRO 98 -5.809 26.758 -0.883 652 HD3 PRO 98 2HD PRO 98 -3.739 27.727 -1.181 653 H GLY 99 H GLY 99 -7.769 31.420 -2.274 654 HA2 GLY 99 2HA GLY 99 -9.316 31.936 -0.196 655 HA3 GLY 99 3HA GLY 99 -7.908 32.890 0.249 656 H SER 100 H SER 100 -10.261 32.412 -2.365 657 HA SER 100 HA SER 100 -10.446 35.294 -2.690 658 HB3 SER 100 2HB SER 100 -9.679 33.473 -4.986 659 HG SER 100 HG SER 100 -10.286 36.246 -4.908 660 H GLY 101 H GLY 101 -12.235 35.899 -4.182 661 HA2 GLY 101 2HA GLY 101 -14.378 33.873 -4.027 662 HA3 GLY 101 3HA GLY 101 -14.643 35.606 -3.913 663 H ALA 102 H ALA 102 -16.271 34.881 -5.613 664 HA ALA 102 HA ALA 102 -15.444 35.845 -8.124 665 HB1 ALA 102 1HB ALA 102 -16.211 33.246 -8.925 666 HB2 ALA 102 2HB ALA 102 -14.658 34.049 -9.158 667 HB3 ALA 102 3HB ALA 102 -14.937 33.072 -7.718 668 H GLN 103 H GLN 103 -17.177 36.121 -9.571 669 HA GLN 103 HA GLN 103 -19.805 35.766 -8.322 670 HB3 GLN 103 2HB GLN 103 -20.576 37.467 -9.934 671 HG3 GLN 103 2HG GLN 103 -18.274 38.080 -8.153 672 HE21 GLN 103 1HE2 GLN 103 -18.095 40.448 -7.630 673 HE22 GLN 103 2HE2 GLN 103 -18.010 41.539 -8.967 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -16.395 21.181 -5.299 2 HA2 GLY 1 2HA GLY 1 -15.481 20.506 -2.931 3 HA3 GLY 1 3HA GLY 1 -14.364 21.171 -4.114 4 H SER 2 H SER 2 -14.667 21.304 -1.068 5 HA SER 2 HA SER 2 -15.030 24.127 -0.575 6 HB3 SER 2 2HB SER 2 -13.792 22.472 1.534 7 HG SER 2 HG SER 2 -14.719 24.079 2.512 8 H LEU 3 H LEU 3 -12.339 21.819 -0.549 9 HA LEU 3 HA LEU 3 -10.455 24.049 -0.275 10 HB3 LEU 3 2HB LEU 3 -10.261 22.116 1.264 11 HG LEU 3 HG LEU 3 -9.863 20.573 -1.248 12 HD11 LEU 3 1HD1 LEU 3 -8.636 18.894 0.344 13 HD12 LEU 3 2HD1 LEU 3 -8.163 20.366 1.191 14 HD13 LEU 3 3HD1 LEU 3 -7.734 20.149 -0.506 15 HD21 LEU 3 3HD2 LEU 3 -11.549 19.413 -0.394 16 HD22 LEU 3 1HD2 LEU 3 -11.610 20.543 0.959 17 HD23 LEU 3 2HD2 LEU 3 -10.625 19.084 1.073 18 H VAL 4 H VAL 4 -8.560 24.111 -1.649 19 HA VAL 4 HA VAL 4 -9.237 23.499 -4.401 20 HB VAL 4 HB VAL 4 -8.304 25.692 -3.913 21 HG11 VAL 4 1HG1 VAL 4 -5.568 24.857 -3.418 22 HG12 VAL 4 2HG1 VAL 4 -6.555 26.050 -2.574 23 HG13 VAL 4 3HG1 VAL 4 -6.669 24.344 -2.140 24 HG21 VAL 4 3HG2 VAL 4 -6.472 23.915 -5.518 25 HG22 VAL 4 1HG2 VAL 4 -7.865 24.822 -6.107 26 HG23 VAL 4 2HG2 VAL 4 -6.428 25.677 -5.547 27 HA PRO 5 HA PRO 5 -6.899 19.745 -4.512 28 HB3 PRO 5 2HB PRO 5 -8.277 19.131 -6.246 29 HG3 PRO 5 2HG PRO 5 -9.125 20.715 -7.722 30 HD3 PRO 5 2HD PRO 5 -9.665 21.713 -5.716 31 H ARG 6 H ARG 6 -4.819 20.036 -3.899 32 HA ARG 6 HA ARG 6 -2.990 21.280 -5.847 33 HB3 ARG 6 2HB ARG 6 -2.521 21.082 -2.873 34 HG3 ARG 6 2HG ARG 6 -0.639 21.566 -4.630 35 HD3 ARG 6 2HD ARG 6 -2.000 23.402 -5.690 36 HE ARG 6 HE ARG 6 -2.175 24.439 -3.126 37 HH11 ARG 6 1HH1 ARG 6 -1.220 25.528 -6.292 38 HH12 ARG 6 2HH1 ARG 6 -1.676 27.175 -6.006 39 HH21 ARG 6 1HH2 ARG 6 -2.780 26.604 -2.738 40 HH22 ARG 6 2HH2 ARG 6 -2.563 27.786 -3.984 41 H GLY 7 H GLY 7 -2.072 19.642 -6.931 42 HA2 GLY 7 2HA GLY 7 -0.327 17.846 -5.531 43 HA3 GLY 7 3HA GLY 7 -1.737 17.027 -6.187 44 H SER 8 H SER 8 0.975 16.544 -6.927 45 HA SER 8 HA SER 8 0.990 17.531 -9.703 46 HB3 SER 8 2HB SER 8 3.431 17.042 -9.680 47 HG SER 8 HG SER 8 3.754 18.663 -7.768 48 H MET 9 H MET 9 0.869 14.761 -7.660 49 HA MET 9 HA MET 9 1.169 12.990 -9.994 50 HB3 MET 9 2HB MET 9 2.255 11.498 -8.707 51 HG3 MET 9 2HG MET 9 3.276 12.342 -6.607 52 HE1 MET 9 3HE MET 9 4.459 15.017 -6.440 53 HE2 MET 9 1HE MET 9 5.757 13.857 -6.723 54 HE3 MET 9 2HE MET 9 5.663 15.328 -7.692 55 H GLN 10 H GLN 10 -0.515 11.786 -10.647 56 HA GLN 10 HA GLN 10 -2.863 11.600 -8.886 57 HB3 GLN 10 2HB GLN 10 -4.336 11.965 -10.796 58 HG3 GLN 10 2HG GLN 10 -2.302 14.063 -10.215 59 HE21 GLN 10 1HE2 GLN 10 -1.867 15.597 -11.613 60 HE22 GLN 10 2HE2 GLN 10 -2.848 16.071 -12.953 61 H ILE 11 H ILE 11 -4.028 9.702 -8.984 62 HA ILE 11 HA ILE 11 -3.285 7.671 -10.932 63 HB ILE 11 HB ILE 11 -1.853 7.585 -8.701 64 HG13 ILE 11 2HG1 ILE 11 -2.089 5.959 -10.745 65 HG21 ILE 11 1HG2 ILE 11 -4.158 7.443 -7.465 66 HG22 ILE 11 2HG2 ILE 11 -4.033 5.731 -7.870 67 HG23 ILE 11 3HG2 ILE 11 -2.778 6.503 -6.900 68 HD11 ILE 11 3HD1 ILE 11 -0.876 5.412 -8.099 69 HD12 ILE 11 1HD1 ILE 11 -0.960 4.090 -9.262 70 HD13 ILE 11 2HD1 ILE 11 -0.120 5.583 -9.683 71 H PHE 12 H PHE 12 -4.606 5.588 -10.435 72 HA PHE 12 HA PHE 12 -7.354 6.453 -9.855 73 HB3 PHE 12 2HB PHE 12 -7.146 3.837 -11.082 74 HD1 PHE 12 2HD PHE 12 -7.651 7.333 -12.293 75 HD2 PHE 12 1HD PHE 12 -9.347 3.490 -11.606 76 HE1 PHE 12 2HE PHE 12 -9.775 8.100 -13.268 77 HE2 PHE 12 1HE PHE 12 -11.474 4.251 -12.581 78 HZ PHE 12 HZ PHE 12 -11.690 6.559 -13.414 79 H VAL 13 H VAL 13 -8.288 5.771 -8.051 80 HA VAL 13 HA VAL 13 -7.415 3.223 -6.869 81 HB VAL 13 HB VAL 13 -7.908 5.784 -5.344 82 HG11 VAL 13 1HG1 VAL 13 -8.140 3.054 -4.538 83 HG12 VAL 13 2HG1 VAL 13 -6.768 3.789 -3.709 84 HG13 VAL 13 3HG1 VAL 13 -8.369 4.517 -3.581 85 HG21 VAL 13 3HG2 VAL 13 -5.703 6.124 -5.320 86 HG22 VAL 13 1HG2 VAL 13 -5.366 4.433 -4.954 87 HG23 VAL 13 2HG2 VAL 13 -5.610 4.942 -6.625 88 H LYS 14 H LYS 14 -9.030 1.906 -6.293 89 HA LYS 14 HA LYS 14 -11.748 3.034 -6.139 90 HB3 LYS 14 2HB LYS 14 -12.520 0.782 -6.976 91 HG3 LYS 14 2HG LYS 14 -11.979 1.137 -9.319 92 HD3 LYS 14 2HD LYS 14 -12.773 3.428 -9.556 93 HE3 LYS 14 2HE LYS 14 -14.778 3.308 -8.198 94 HZ1 LYS 14 3HZ LYS 14 -14.396 1.648 -10.039 95 HZ2 LYS 14 1HZ LYS 14 -15.571 1.229 -8.894 96 HZ3 LYS 14 2HZ LYS 14 -14.039 0.514 -8.835 97 H THR 15 H THR 15 -12.656 2.823 -4.212 98 HA THR 15 HA THR 15 -11.473 1.151 -2.190 99 HB THR 15 HB THR 15 -12.908 2.183 -0.640 100 HG1 THR 15 1HG THR 15 -14.931 2.512 -1.135 101 HG21 THR 15 3HG2 THR 15 -11.332 3.702 -2.205 102 HG22 THR 15 1HG2 THR 15 -12.262 4.348 -0.852 103 HG23 THR 15 2HG2 THR 15 -12.886 4.485 -2.497 104 H LEU 16 H LEU 16 -13.382 0.123 -0.686 105 HA LEU 16 HA LEU 16 -14.296 -2.125 -2.207 106 HB3 LEU 16 2HB LEU 16 -15.051 -3.023 -0.129 107 HG LEU 16 HG LEU 16 -12.407 -1.720 -0.071 108 HD11 LEU 16 1HD1 LEU 16 -13.669 -2.764 2.459 109 HD12 LEU 16 2HD1 LEU 16 -13.307 -1.072 2.120 110 HD13 LEU 16 3HD1 LEU 16 -11.996 -2.245 2.257 111 HD21 LEU 16 3HD2 LEU 16 -12.253 -3.861 -0.843 112 HD22 LEU 16 1HD2 LEU 16 -13.594 -4.435 0.147 113 HD23 LEU 16 2HD2 LEU 16 -12.014 -4.157 0.879 114 H THR 17 H THR 17 -15.745 0.770 -0.880 115 HA THR 17 HA THR 17 -18.446 -0.102 -1.425 116 HB THR 17 HB THR 17 -17.683 1.525 0.445 117 HG1 THR 17 1HG THR 17 -19.948 1.749 -1.223 118 HG21 THR 17 3HG2 THR 17 -17.166 3.666 -0.048 119 HG22 THR 17 1HG2 THR 17 -18.321 3.746 -1.378 120 HG23 THR 17 2HG2 THR 17 -16.739 3.005 -1.625 121 H GLY 18 H GLY 18 -15.921 1.413 -3.152 122 HA2 GLY 18 2HA GLY 18 -16.160 1.561 -5.564 123 HA3 GLY 18 3HA GLY 18 -17.823 2.071 -5.311 124 H LYS 19 H LYS 19 -15.622 3.445 -3.120 125 HA LYS 19 HA LYS 19 -16.052 6.064 -4.212 126 HB3 LYS 19 2HB LYS 19 -14.072 6.220 -2.222 127 HG3 LYS 19 2HG LYS 19 -16.023 7.716 -2.457 128 HD3 LYS 19 2HD LYS 19 -17.697 5.921 -0.813 129 HE3 LYS 19 2HE LYS 19 -18.011 8.120 -2.773 130 HZ1 LYS 19 3HZ LYS 19 -19.402 6.611 -3.869 131 HZ2 LYS 19 1HZ LYS 19 -20.445 7.505 -2.880 132 HZ3 LYS 19 2HZ LYS 19 -19.983 5.942 -2.428 133 H THR 20 H THR 20 -14.450 7.529 -4.921 134 HA THR 20 HA THR 20 -12.000 6.233 -5.927 135 HB THR 20 HB THR 20 -12.258 8.386 -7.561 136 HG1 THR 20 1HG THR 20 -14.517 8.351 -8.201 137 HG21 THR 20 3HG2 THR 20 -12.731 6.856 -9.266 138 HG22 THR 20 1HG2 THR 20 -13.699 5.833 -8.207 139 HG23 THR 20 2HG2 THR 20 -11.945 5.871 -8.032 140 H ILE 21 H ILE 21 -10.123 7.066 -5.277 141 HA ILE 21 HA ILE 21 -10.065 9.838 -4.298 142 HB ILE 21 HB ILE 21 -8.324 8.954 -2.598 143 HG13 ILE 21 2HG1 ILE 21 -8.308 6.717 -2.036 144 HG21 ILE 21 1HG2 ILE 21 -11.285 8.484 -2.309 145 HG22 ILE 21 2HG2 ILE 21 -10.144 8.455 -0.965 146 HG23 ILE 21 3HG2 ILE 21 -10.384 9.939 -1.888 147 HD11 ILE 21 3HD1 ILE 21 -11.103 6.648 -3.047 148 HD12 ILE 21 1HD1 ILE 21 -10.162 5.157 -3.007 149 HD13 ILE 21 2HD1 ILE 21 -10.437 6.066 -1.521 150 H THR 22 H THR 22 -8.333 11.012 -4.912 151 HA THR 22 HA THR 22 -6.561 9.874 -6.880 152 HB THR 22 HB THR 22 -6.009 12.600 -5.867 153 HG1 THR 22 1HG THR 22 -7.973 13.318 -6.145 154 HG21 THR 22 3HG2 THR 22 -6.542 12.607 -8.606 155 HG22 THR 22 1HG2 THR 22 -5.755 11.060 -8.300 156 HG23 THR 22 2HG2 THR 22 -4.957 12.562 -7.836 157 H LEU 23 H LEU 23 -4.695 8.920 -6.431 158 HA LEU 23 HA LEU 23 -3.298 9.658 -3.944 159 HB3 LEU 23 2HB LEU 23 -2.311 7.194 -4.823 160 HG LEU 23 HG LEU 23 -3.564 8.167 -2.458 161 HD11 LEU 23 1HD1 LEU 23 -4.589 5.498 -3.408 162 HD12 LEU 23 2HD1 LEU 23 -5.546 6.945 -3.091 163 HD13 LEU 23 3HD1 LEU 23 -4.737 6.114 -1.761 164 HD21 LEU 23 3HD2 LEU 23 -1.379 6.672 -3.188 165 HD22 LEU 23 1HD2 LEU 23 -2.399 5.498 -2.355 166 HD23 LEU 23 2HD2 LEU 23 -1.911 6.982 -1.534 167 H GLU 24 H GLU 24 -0.951 9.521 -3.995 168 HA GLU 24 HA GLU 24 0.089 10.333 -6.617 169 HB3 GLU 24 2HB GLU 24 0.396 11.968 -4.843 170 HG3 GLU 24 2HG GLU 24 2.041 9.892 -3.415 171 H VAL 25 H VAL 25 2.111 9.536 -7.361 172 HA VAL 25 HA VAL 25 3.207 7.188 -6.020 173 HB VAL 25 HB VAL 25 3.260 6.052 -8.355 174 HG11 VAL 25 1HG1 VAL 25 1.275 4.839 -7.845 175 HG12 VAL 25 2HG1 VAL 25 2.007 5.311 -6.310 176 HG13 VAL 25 3HG1 VAL 25 0.609 6.191 -6.931 177 HG21 VAL 25 3HG2 VAL 25 2.299 8.153 -9.432 178 HG22 VAL 25 1HG2 VAL 25 1.574 6.613 -9.893 179 HG23 VAL 25 2HG2 VAL 25 0.752 7.664 -8.740 180 H GLU 26 H GLU 26 5.340 6.704 -6.590 181 HA GLU 26 HA GLU 26 6.732 7.953 -8.710 182 HB3 GLU 26 2HB GLU 26 8.163 9.123 -6.614 183 HG3 GLU 26 2HG GLU 26 6.219 10.813 -8.070 184 HA PRO 27 HA PRO 27 9.644 4.811 -7.768 185 HB3 PRO 27 2HB PRO 27 10.704 5.349 -9.734 186 HG3 PRO 27 2HG PRO 27 10.887 7.559 -10.432 187 HD3 PRO 27 2HD PRO 27 8.630 7.475 -9.969 188 H SER 28 H SER 28 10.290 8.037 -6.550 189 HA SER 28 HA SER 28 12.033 6.905 -4.469 190 HB3 SER 28 2HB SER 28 11.894 9.804 -4.491 191 HG SER 28 HG SER 28 13.824 9.331 -3.837 192 H ASP 29 H ASP 29 8.928 8.120 -5.034 193 HA ASP 29 HA ASP 29 8.517 8.962 -2.269 194 HB3 ASP 29 2HB ASP 29 6.263 8.867 -4.210 195 H THR 30 H THR 30 8.188 7.368 -0.863 196 HA THR 30 HA THR 30 6.889 4.904 -1.687 197 HB THR 30 HB THR 30 7.538 5.289 1.170 198 HG1 THR 30 1HG THR 30 9.664 5.513 0.902 199 HG21 THR 30 3HG2 THR 30 7.849 3.158 -0.915 200 HG22 THR 30 1HG2 THR 30 6.956 3.105 0.604 201 HG23 THR 30 2HG2 THR 30 8.719 3.051 0.616 202 H ILE 31 H ILE 31 5.307 3.955 0.003 203 HA ILE 31 HA ILE 31 2.939 5.385 -0.055 204 HB ILE 31 HB ILE 31 3.856 3.087 1.637 205 HG13 ILE 31 2HG1 ILE 31 1.827 3.469 -0.568 206 HG21 ILE 31 1HG2 ILE 31 1.285 4.617 1.898 207 HG22 ILE 31 2HG2 ILE 31 1.428 2.928 2.382 208 HG23 ILE 31 3HG2 ILE 31 2.424 4.156 3.163 209 HD11 ILE 31 3HD1 ILE 31 3.169 1.555 -1.564 210 HD12 ILE 31 1HD1 ILE 31 3.910 3.155 -1.569 211 HD13 ILE 31 2HD1 ILE 31 4.405 1.958 -0.371 212 H GLU 32 H GLU 32 5.546 5.526 2.238 213 HA GLU 32 HA GLU 32 4.349 6.563 4.488 214 HB3 GLU 32 2HB GLU 32 6.966 7.566 3.366 215 HG3 GLU 32 2HG GLU 32 6.328 6.993 6.236 216 H ASN 33 H ASN 33 5.505 8.368 1.648 217 HA ASN 33 HA ASN 33 4.495 10.867 2.638 218 HB3 ASN 33 2HB ASN 33 5.099 11.684 0.329 219 HD21 ASN 33 1HD2 ASN 33 6.981 12.743 0.320 220 HD22 ASN 33 2HD2 ASN 33 8.328 12.373 1.337 221 H VAL 34 H VAL 34 3.332 8.312 0.581 222 HA VAL 34 HA VAL 34 1.281 9.681 -0.760 223 HB VAL 34 HB VAL 34 2.203 7.064 -0.702 224 HG11 VAL 34 1HG1 VAL 34 0.617 6.620 1.151 225 HG12 VAL 34 2HG1 VAL 34 -0.710 7.067 0.078 226 HG13 VAL 34 3HG1 VAL 34 0.291 5.662 -0.292 227 HG21 VAL 34 3HG2 VAL 34 -0.122 8.348 -2.123 228 HG22 VAL 34 1HG2 VAL 34 1.528 8.138 -2.710 229 HG23 VAL 34 2HG2 VAL 34 0.479 6.736 -2.510 230 H LYS 35 H LYS 35 1.478 8.356 2.463 231 HA LYS 35 HA LYS 35 -1.182 8.138 3.167 232 HB3 LYS 35 2HB LYS 35 -0.490 8.364 5.446 233 HG3 LYS 35 2HG LYS 35 2.029 7.378 4.161 234 HD3 LYS 35 2HD LYS 35 1.239 5.567 6.030 235 HE3 LYS 35 2HE LYS 35 3.061 7.911 6.048 236 HZ1 LYS 35 3HZ LYS 35 3.279 8.049 8.237 237 HZ2 LYS 35 1HZ LYS 35 3.363 6.369 8.416 238 HZ3 LYS 35 2HZ LYS 35 1.860 7.142 8.396 239 H ALA 36 H ALA 36 0.763 11.011 2.758 240 HA ALA 36 HA ALA 36 -1.129 12.787 3.985 241 HB1 ALA 36 1HB ALA 36 1.102 13.519 4.047 242 HB2 ALA 36 2HB ALA 36 1.336 13.221 2.324 243 HB3 ALA 36 3HB ALA 36 0.312 14.553 2.857 244 H LYS 37 H LYS 37 -0.478 11.626 0.745 245 HA LYS 37 HA LYS 37 -2.199 13.529 -0.547 246 HB3 LYS 37 2HB LYS 37 -1.641 11.034 -1.989 247 HG3 LYS 37 2HG LYS 37 -2.273 13.415 -2.868 248 HD3 LYS 37 2HD LYS 37 0.287 14.082 -3.704 249 HE3 LYS 37 2HE LYS 37 -0.047 16.032 -2.093 250 HZ1 LYS 37 3HZ LYS 37 -2.521 16.071 -3.451 251 HZ2 LYS 37 1HZ LYS 37 -1.341 15.396 -4.459 252 HZ3 LYS 37 2HZ LYS 37 -1.109 16.935 -3.796 253 H ILE 38 H ILE 38 -2.415 10.035 0.119 254 HA ILE 38 HA ILE 38 -5.002 9.654 -0.866 255 HB ILE 38 HB ILE 38 -3.611 7.751 -0.391 256 HG13 ILE 38 2HG1 ILE 38 -5.897 7.695 1.585 257 HG21 ILE 38 1HG2 ILE 38 -2.768 9.071 1.799 258 HG22 ILE 38 2HG2 ILE 38 -3.872 7.912 2.539 259 HG23 ILE 38 3HG2 ILE 38 -2.530 7.342 1.546 260 HD11 ILE 38 3HD1 ILE 38 -6.841 6.576 -0.731 261 HD12 ILE 38 1HD1 ILE 38 -7.269 8.164 -0.098 262 HD13 ILE 38 2HD1 ILE 38 -5.988 8.011 -1.301 263 H GLN 39 H GLN 39 -3.880 10.536 2.375 264 HA GLN 39 HA GLN 39 -6.417 10.470 3.616 265 HB3 GLN 39 2HB GLN 39 -4.119 10.505 4.730 266 HG3 GLN 39 2HG GLN 39 -4.478 13.467 4.342 267 HE21 GLN 39 1HE2 GLN 39 -2.034 11.162 5.488 268 HE22 GLN 39 2HE2 GLN 39 -1.619 12.048 6.912 269 H ASP 40 H ASP 40 -4.785 12.849 1.678 270 HA ASP 40 HA ASP 40 -6.326 15.102 2.437 271 HB3 ASP 40 2HB ASP 40 -5.136 14.789 -0.302 272 H LYS 41 H LYS 41 -6.912 12.424 0.333 273 HA LYS 41 HA LYS 41 -9.039 13.687 -1.143 274 HB3 LYS 41 2HB LYS 41 -9.305 11.611 -2.253 275 HG3 LYS 41 2HG LYS 41 -7.052 10.848 -2.828 276 HD3 LYS 41 2HD LYS 41 -7.900 13.647 -2.835 277 HE3 LYS 41 2HE LYS 41 -5.005 12.918 -2.841 278 HZ1 LYS 41 3HZ LYS 41 -6.233 14.400 -4.896 279 HZ2 LYS 41 1HZ LYS 41 -4.590 14.065 -4.670 280 HZ3 LYS 41 2HZ LYS 41 -5.276 15.443 -3.968 281 H GLU 42 H GLU 42 -8.907 11.048 1.255 282 HA GLU 42 HA GLU 42 -11.652 11.773 2.046 283 HB3 GLU 42 2HB GLU 42 -11.846 9.289 2.680 284 HG3 GLU 42 2HG GLU 42 -12.053 8.626 0.145 285 H GLY 43 H GLY 43 -8.504 10.549 3.037 286 HA2 GLY 43 2HA GLY 43 -7.471 11.223 5.071 287 HA3 GLY 43 3HA GLY 43 -9.066 11.511 5.752 288 H ILE 44 H ILE 44 -8.186 8.601 4.002 289 HA ILE 44 HA ILE 44 -9.092 6.928 6.115 290 HB ILE 44 HB ILE 44 -8.019 6.536 3.405 291 HG13 ILE 44 2HG1 ILE 44 -10.367 5.934 4.973 292 HG21 ILE 44 1HG2 ILE 44 -7.571 4.490 5.565 293 HG22 ILE 44 2HG2 ILE 44 -7.579 4.105 3.845 294 HG23 ILE 44 3HG2 ILE 44 -6.371 5.213 4.494 295 HD11 ILE 44 3HD1 ILE 44 -9.833 5.667 2.024 296 HD12 ILE 44 1HD1 ILE 44 -11.417 5.599 2.796 297 HD13 ILE 44 2HD1 ILE 44 -10.476 7.090 2.845 298 HA PRO 45 HA PRO 45 -5.432 6.591 8.543 299 HB3 PRO 45 2HB PRO 45 -6.790 5.744 10.192 300 HG3 PRO 45 2HG PRO 45 -8.628 4.419 9.670 301 HD3 PRO 45 2HD PRO 45 -8.999 6.191 8.244 302 HA PRO 46 HA PRO 46 -3.034 4.042 5.700 303 HB3 PRO 46 2HB PRO 46 -1.710 5.887 5.353 304 HG3 PRO 46 2HG PRO 46 -1.469 7.516 6.995 305 HD3 PRO 46 2HD PRO 46 -3.767 7.342 6.943 306 H ASP 47 H ASP 47 -2.895 4.282 9.150 307 HA ASP 47 HA ASP 47 -0.903 2.310 9.614 308 HB3 ASP 47 2HB ASP 47 -3.145 3.272 11.404 309 H GLN 48 H GLN 48 -4.370 2.206 9.120 310 HA GLN 48 HA GLN 48 -4.333 -0.708 9.517 311 HB3 GLN 48 2HB GLN 48 -6.742 -0.583 9.768 312 HG3 GLN 48 2HG GLN 48 -4.998 0.488 11.596 313 HE21 GLN 48 1HE2 GLN 48 -8.220 1.889 11.088 314 HE22 GLN 48 2HE2 GLN 48 -7.784 3.493 11.558 315 H GLN 49 H GLN 49 -4.813 1.812 7.189 316 HA GLN 49 HA GLN 49 -6.270 0.498 5.223 317 HB3 GLN 49 2HB GLN 49 -4.219 2.677 5.168 318 HG3 GLN 49 2HG GLN 49 -5.243 2.862 2.687 319 HE21 GLN 49 1HE2 GLN 49 -3.387 4.119 2.701 320 HE22 GLN 49 2HE2 GLN 49 -1.814 3.445 2.473 321 H ARG 50 H ARG 50 -5.824 -0.994 3.695 322 HA ARG 50 HA ARG 50 -3.226 -2.320 3.863 323 HB3 ARG 50 2HB ARG 50 -4.247 -4.236 3.053 324 HG3 ARG 50 2HG ARG 50 -6.420 -4.540 4.076 325 HD3 ARG 50 2HD ARG 50 -5.911 -3.740 6.368 326 HE ARG 50 HE ARG 50 -3.334 -4.705 5.610 327 HH11 ARG 50 1HH1 ARG 50 -6.697 -5.571 5.859 328 HH12 ARG 50 2HH1 ARG 50 -6.383 -7.266 6.032 329 HH21 ARG 50 1HH2 ARG 50 -2.907 -6.934 5.836 330 HH22 ARG 50 2HH2 ARG 50 -4.226 -8.040 6.021 331 H LEU 51 H LEU 51 -2.661 -3.389 1.583 332 HA LEU 51 HA LEU 51 -2.775 -1.259 -0.447 333 HB3 LEU 51 2HB LEU 51 -0.393 -2.607 -0.893 334 HG LEU 51 HG LEU 51 -0.742 -0.004 0.592 335 HD11 LEU 51 1HD1 LEU 51 1.589 -1.590 0.135 336 HD12 LEU 51 2HD1 LEU 51 1.445 -0.025 0.935 337 HD13 LEU 51 3HD1 LEU 51 1.697 -0.104 -0.809 338 HD21 LEU 51 3HD2 LEU 51 0.142 -0.214 -2.239 339 HD22 LEU 51 1HD2 LEU 51 -0.753 1.068 -1.423 340 HD23 LEU 51 2HD2 LEU 51 -1.572 -0.426 -1.879 341 H ILE 52 H ILE 52 -3.429 -1.897 -2.399 342 HA ILE 52 HA ILE 52 -3.280 -4.761 -3.065 343 HB ILE 52 HB ILE 52 -5.626 -2.906 -3.378 344 HG13 ILE 52 2HG1 ILE 52 -5.183 -5.620 -2.134 345 HG21 ILE 52 1HG2 ILE 52 -5.451 -3.836 -5.536 346 HG22 ILE 52 2HG2 ILE 52 -5.015 -5.421 -4.904 347 HG23 ILE 52 3HG2 ILE 52 -6.657 -4.812 -4.698 348 HD11 ILE 52 3HD1 ILE 52 -4.842 -4.311 -0.352 349 HD12 ILE 52 1HD1 ILE 52 -5.615 -2.913 -1.098 350 HD13 ILE 52 2HD1 ILE 52 -6.600 -4.172 -0.351 351 H PHE 53 H PHE 53 -2.083 -5.063 -4.813 352 HA PHE 53 HA PHE 53 -2.097 -2.990 -6.907 353 HB3 PHE 53 2HB PHE 53 0.173 -4.564 -5.740 354 HD1 PHE 53 2HD PHE 53 -0.643 -2.598 -8.803 355 HD2 PHE 53 1HD PHE 53 1.897 -5.468 -6.951 356 HE1 PHE 53 2HE PHE 53 0.546 -2.915 -10.934 357 HE2 PHE 53 1HE PHE 53 3.092 -5.789 -9.078 358 HZ PHE 53 HZ PHE 53 2.415 -4.513 -11.073 359 H ALA 54 H ALA 54 -3.020 -3.681 -8.709 360 HA ALA 54 HA ALA 54 -3.829 -5.041 -10.348 361 HB1 ALA 54 1HB ALA 54 -1.184 -6.355 -9.774 362 HB2 ALA 54 2HB ALA 54 -2.237 -6.848 -11.103 363 HB3 ALA 54 3HB ALA 54 -1.579 -5.212 -11.059 364 H GLY 55 H GLY 55 -4.664 -5.608 -7.621 365 HA2 GLY 55 2HA GLY 55 -6.284 -7.173 -6.927 366 HA3 GLY 55 3HA GLY 55 -5.633 -8.325 -8.084 367 H LYS 56 H LYS 56 -2.862 -7.767 -7.124 368 HA LYS 56 HA LYS 56 -2.974 -9.543 -4.797 369 HB3 LYS 56 2HB LYS 56 -0.494 -8.799 -6.334 370 HG3 LYS 56 2HG LYS 56 -1.278 -11.137 -4.622 371 HD3 LYS 56 2HD LYS 56 0.952 -10.897 -6.631 372 HE3 LYS 56 2HE LYS 56 0.730 -13.042 -4.537 373 HZ1 LYS 56 3HZ LYS 56 2.969 -12.183 -6.290 374 HZ2 LYS 56 1HZ LYS 56 2.013 -13.559 -6.520 375 HZ3 LYS 56 2HZ LYS 56 3.022 -13.448 -5.168 376 H GLN 57 H GLN 57 -2.564 -8.810 -2.821 377 HA GLN 57 HA GLN 57 -1.874 -6.071 -2.382 378 HB3 GLN 57 2HB GLN 57 -2.105 -6.565 -0.037 379 HG3 GLN 57 2HG GLN 57 -4.119 -7.338 -1.907 380 HE21 GLN 57 1HE2 GLN 57 -4.166 -9.590 -2.125 381 HE22 GLN 57 2HE2 GLN 57 -4.837 -10.606 -0.900 382 H LEU 58 H LEU 58 -0.156 -5.657 -0.559 383 HA LEU 58 HA LEU 58 2.193 -7.317 -0.710 384 HB3 LEU 58 2HB LEU 58 2.308 -6.001 -2.800 385 HG LEU 58 HG LEU 58 2.226 -3.650 -0.957 386 HD11 LEU 58 1HD1 LEU 58 3.768 -3.828 -3.536 387 HD12 LEU 58 2HD1 LEU 58 4.391 -3.415 -1.940 388 HD13 LEU 58 3HD1 LEU 58 3.292 -2.313 -2.770 389 HD21 LEU 58 3HD2 LEU 58 1.078 -4.347 -3.648 390 HD22 LEU 58 1HD2 LEU 58 1.024 -2.718 -2.974 391 HD23 LEU 58 2HD2 LEU 58 0.217 -4.045 -2.137 392 H GLU 59 H GLU 59 4.107 -5.618 0.200 393 HA GLU 59 HA GLU 59 2.957 -4.610 2.719 394 HB3 GLU 59 2HB GLU 59 4.982 -5.245 3.849 395 HG3 GLU 59 2HG GLU 59 5.085 -7.645 3.559 396 H ASP 60 H ASP 60 5.102 -3.286 3.747 397 HA ASP 60 HA ASP 60 5.745 -1.244 1.725 398 HB3 ASP 60 2HB ASP 60 5.338 -0.423 4.566 399 H GLY 61 H GLY 61 7.452 0.349 2.832 400 HA2 GLY 61 2HA GLY 61 9.289 0.053 4.620 401 HA3 GLY 61 3HA GLY 61 9.633 -1.417 3.721 402 H ARG 62 H ARG 62 10.220 -1.169 1.431 403 HA ARG 62 HA ARG 62 12.037 1.074 1.127 404 HB3 ARG 62 2HB ARG 62 12.164 -0.464 -1.191 405 HG3 ARG 62 2HG ARG 62 14.112 0.335 0.034 406 HD3 ARG 62 2HD ARG 62 14.740 -1.518 1.900 407 HE ARG 62 HE ARG 62 13.795 1.180 2.077 408 HH11 ARG 62 1HH1 ARG 62 14.748 -1.618 3.914 409 HH12 ARG 62 2HH1 ARG 62 15.192 -0.707 5.320 410 HH21 ARG 62 1HH2 ARG 62 14.375 2.391 3.920 411 HH22 ARG 62 2HH2 ARG 62 14.979 1.574 5.322 412 H THR 63 H THR 63 12.203 2.052 -1.126 413 HA THR 63 HA THR 63 9.665 3.230 -1.763 414 HB THR 63 HB THR 63 10.988 4.439 -3.546 415 HG1 THR 63 1HG THR 63 12.983 3.834 -3.911 416 HG21 THR 63 3HG2 THR 63 12.519 5.560 -1.720 417 HG22 THR 63 1HG2 THR 63 11.582 4.545 -0.624 418 HG23 THR 63 2HG2 THR 63 10.765 5.724 -1.650 419 H LEU 64 H LEU 64 8.779 3.334 -3.943 420 HA LEU 64 HA LEU 64 8.206 0.873 -5.043 421 HB3 LEU 64 2HB LEU 64 7.280 2.039 -6.921 422 HG LEU 64 HG LEU 64 6.978 3.982 -4.638 423 HD11 LEU 64 1HD1 LEU 64 5.046 4.703 -5.666 424 HD12 LEU 64 2HD1 LEU 64 4.875 3.227 -6.618 425 HD13 LEU 64 3HD1 LEU 64 6.104 4.416 -7.048 426 HD21 LEU 64 3HD2 LEU 64 5.583 1.359 -5.145 427 HD22 LEU 64 1HD2 LEU 64 5.011 2.588 -4.018 428 HD23 LEU 64 2HD2 LEU 64 6.564 1.797 -3.746 429 H SER 65 H SER 65 10.870 3.034 -5.752 430 HA SER 65 HA SER 65 11.733 1.695 -8.115 431 HB3 SER 65 2HB SER 65 13.063 3.656 -6.247 432 HG SER 65 HG SER 65 14.414 3.547 -8.477 433 H GLU 66 H GLU 66 12.539 1.445 -4.694 434 HA GLU 66 HA GLU 66 14.689 -0.404 -5.091 435 HB3 GLU 66 2HB GLU 66 14.333 -0.768 -2.563 436 HG3 GLU 66 2HG GLU 66 14.744 2.128 -3.089 437 H TYR 67 H TYR 67 11.249 -0.643 -4.626 438 HA TYR 67 HA TYR 67 11.322 -3.481 -4.064 439 HB3 TYR 67 2HB TYR 67 8.693 -2.744 -4.714 440 HD1 TYR 67 2HD TYR 67 10.917 -2.200 -1.750 441 HD2 TYR 67 1HD TYR 67 7.502 -4.165 -3.356 442 HE1 TYR 67 2HE TYR 67 10.549 -3.315 0.411 443 HE2 TYR 67 1HE TYR 67 7.124 -5.284 -1.199 444 HH TYR 67 HH TYR 67 7.923 -5.659 0.846 445 H ASN 68 H ASN 68 11.573 -1.604 -6.801 446 HA ASN 68 HA ASN 68 11.415 -2.000 -9.036 447 HB3 ASN 68 2HB ASN 68 12.059 -4.141 -9.792 448 HD21 ASN 68 1HD2 ASN 68 12.752 -5.647 -6.975 449 HD22 ASN 68 2HD2 ASN 68 14.311 -4.975 -6.656 450 H ILE 69 H ILE 69 8.946 -1.893 -7.364 451 HA ILE 69 HA ILE 69 7.105 -3.576 -8.886 452 HB ILE 69 HB ILE 69 5.374 -2.704 -7.332 453 HG13 ILE 69 2HG1 ILE 69 6.586 -0.541 -6.881 454 HG21 ILE 69 1HG2 ILE 69 6.277 -3.858 -5.301 455 HG22 ILE 69 2HG2 ILE 69 6.393 -4.788 -6.793 456 HG23 ILE 69 3HG2 ILE 69 7.822 -3.987 -6.140 457 HD11 ILE 69 3HD1 ILE 69 4.968 -0.528 -5.337 458 HD12 ILE 69 1HD1 ILE 69 5.280 -2.192 -4.845 459 HD13 ILE 69 2HD1 ILE 69 6.283 -0.882 -4.217 460 H GLN 70 H GLN 70 5.442 -2.768 -10.153 461 HA GLN 70 HA GLN 70 5.914 -0.096 -11.213 462 HB3 GLN 70 2HB GLN 70 5.695 -1.935 -12.805 463 HG3 GLN 70 2HG GLN 70 2.867 -2.219 -11.815 464 HE21 GLN 70 1HE2 GLN 70 1.559 -2.742 -13.399 465 HE22 GLN 70 2HE2 GLN 70 1.970 -3.648 -14.812 466 H LYS 71 H LYS 71 4.894 -0.015 -8.660 467 HA LYS 71 HA LYS 71 2.102 0.102 -8.450 468 HB3 LYS 71 2HB LYS 71 4.365 1.332 -6.919 469 HG3 LYS 71 2HG LYS 71 1.478 2.037 -6.659 470 HD3 LYS 71 2HD LYS 71 3.380 1.429 -4.463 471 HE3 LYS 71 2HE LYS 71 2.299 4.036 -4.791 472 HZ1 LYS 71 3HZ LYS 71 0.308 3.629 -3.771 473 HZ2 LYS 71 1HZ LYS 71 1.265 3.975 -2.419 474 HZ3 LYS 71 2HZ LYS 71 0.909 2.369 -2.815 475 H GLU 72 H GLU 72 4.321 2.199 -10.001 476 HA GLU 72 HA GLU 72 2.711 4.570 -9.878 477 HB3 GLU 72 2HB GLU 72 5.081 4.828 -10.161 478 HG3 GLU 72 2HG GLU 72 4.730 2.941 -12.427 479 H SER 73 H SER 73 0.846 2.966 -10.576 480 HA SER 73 HA SER 73 0.178 3.716 -13.280 481 HB3 SER 73 2HB SER 73 0.554 0.814 -12.520 482 HG SER 73 HG SER 73 -0.669 0.259 -14.185 483 H THR 74 H THR 74 -1.041 0.987 -11.391 484 HA THR 74 HA THR 74 -3.440 2.541 -10.720 485 HB THR 74 HB THR 74 -3.932 -0.281 -11.445 486 HG1 THR 74 1HG THR 74 -4.089 0.454 -13.725 487 HG21 THR 74 3HG2 THR 74 -5.353 2.249 -11.267 488 HG22 THR 74 1HG2 THR 74 -5.973 0.601 -11.195 489 HG23 THR 74 2HG2 THR 74 -5.718 1.379 -12.756 490 H LEU 75 H LEU 75 -3.443 2.563 -8.565 491 HA LEU 75 HA LEU 75 -3.147 0.001 -7.157 492 HB3 LEU 75 2HB LEU 75 -2.238 1.976 -5.400 493 HG LEU 75 HG LEU 75 0.061 0.992 -5.782 494 HD11 LEU 75 1HD1 LEU 75 -1.310 -1.421 -5.248 495 HD12 LEU 75 2HD1 LEU 75 -2.272 -0.103 -4.580 496 HD13 LEU 75 3HD1 LEU 75 -0.586 -0.295 -4.102 497 HD21 LEU 75 3HD2 LEU 75 -1.414 -0.998 -7.489 498 HD22 LEU 75 1HD2 LEU 75 0.320 -0.894 -7.180 499 HD23 LEU 75 2HD2 LEU 75 -0.475 0.334 -8.165 500 H HIS 76 H HIS 76 -4.409 -0.260 -5.318 501 HA HIS 76 HA HIS 76 -6.261 1.917 -4.651 502 HB3 HIS 76 2HB HIS 76 -8.156 0.713 -5.049 503 HD1 HIS 76 1HD HIS 76 -6.357 -2.178 -6.528 504 HD2 HIS 76 2HD HIS 76 -7.850 1.500 -7.752 505 HE1 HIS 76 1HE HIS 76 -6.342 -2.250 -9.041 506 H LEU 77 H LEU 77 -5.778 2.370 -2.602 507 HA LEU 77 HA LEU 77 -5.612 0.133 -0.696 508 HB3 LEU 77 2HB LEU 77 -3.420 0.736 -0.648 509 HG LEU 77 HG LEU 77 -4.262 3.449 -1.529 510 HD11 LEU 77 1HD1 LEU 77 -3.051 4.249 0.254 511 HD12 LEU 77 2HD1 LEU 77 -1.794 4.086 -0.972 512 HD13 LEU 77 3HD1 LEU 77 -1.966 2.859 0.283 513 HD21 LEU 77 3HD2 LEU 77 -2.884 1.234 -2.605 514 HD22 LEU 77 1HD2 LEU 77 -1.715 2.546 -2.450 515 HD23 LEU 77 2HD2 LEU 77 -3.203 2.794 -3.364 516 H VAL 78 H VAL 78 -7.628 0.320 0.162 517 HA VAL 78 HA VAL 78 -8.109 2.642 1.843 518 HB VAL 78 HB VAL 78 -10.018 1.810 -0.340 519 HG11 VAL 78 1HG1 VAL 78 -11.571 2.152 1.279 520 HG12 VAL 78 2HG1 VAL 78 -10.503 3.173 2.244 521 HG13 VAL 78 3HG1 VAL 78 -11.309 3.834 0.821 522 HG21 VAL 78 3HG2 VAL 78 -9.893 4.208 -0.933 523 HG22 VAL 78 1HG2 VAL 78 -8.674 4.427 0.323 524 HG23 VAL 78 2HG2 VAL 78 -8.337 3.388 -1.061 525 H LEU 79 H LEU 79 -8.808 1.974 3.760 526 HA LEU 79 HA LEU 79 -10.105 -0.666 3.934 527 HB3 LEU 79 2HB LEU 79 -8.466 0.794 6.003 528 HG LEU 79 HG LEU 79 -10.160 -0.741 7.022 529 HD11 LEU 79 1HD1 LEU 79 -8.570 -2.869 5.597 530 HD12 LEU 79 2HD1 LEU 79 -10.224 -2.392 5.212 531 HD13 LEU 79 3HD1 LEU 79 -9.860 -3.137 6.770 532 HD21 LEU 79 3HD2 LEU 79 -8.710 -1.272 8.664 533 HD22 LEU 79 1HD2 LEU 79 -7.595 -0.292 7.713 534 HD23 LEU 79 2HD2 LEU 79 -7.575 -2.049 7.560 535 H ARG 80 H ARG 80 -12.225 -0.459 4.201 536 HA ARG 80 HA ARG 80 -14.261 0.383 4.810 537 HB3 ARG 80 2HB ARG 80 -13.006 1.107 7.438 538 HG3 ARG 80 2HG ARG 80 -15.456 -0.548 7.103 539 HD3 ARG 80 2HD ARG 80 -14.951 1.668 9.054 540 HE ARG 80 HE ARG 80 -17.000 0.832 9.640 541 HH11 ARG 80 1HH1 ARG 80 -14.840 -1.810 8.955 542 HH12 ARG 80 2HH1 ARG 80 -15.940 -3.026 9.516 543 HH21 ARG 80 1HH2 ARG 80 -18.457 -0.759 10.381 544 HH22 ARG 80 2HH2 ARG 80 -17.996 -2.427 10.326 545 H LEU 81 H LEU 81 -13.632 2.196 3.248 546 HA LEU 81 HA LEU 81 -12.740 4.688 4.009 547 HB3 LEU 81 2HB LEU 81 -13.297 3.876 1.690 548 HG LEU 81 HG LEU 81 -15.400 4.202 0.701 549 HD11 LEU 81 1HD1 LEU 81 -16.835 2.664 1.851 550 HD12 LEU 81 2HD1 LEU 81 -15.992 2.943 3.374 551 HD13 LEU 81 3HD1 LEU 81 -15.167 2.127 2.046 552 HD21 LEU 81 3HD2 LEU 81 -15.741 6.236 2.461 553 HD22 LEU 81 1HD2 LEU 81 -16.870 5.042 3.101 554 HD23 LEU 81 2HD2 LEU 81 -17.015 5.584 1.430 555 H ARG 82 H ARG 82 -14.029 6.716 4.226 556 HA ARG 82 HA ARG 82 -16.690 6.826 5.002 557 HB3 ARG 82 2HB ARG 82 -15.597 7.246 7.582 558 HG3 ARG 82 2HG ARG 82 -16.937 4.827 7.696 559 HD3 ARG 82 2HD ARG 82 -18.920 6.689 7.959 560 HE ARG 82 HE ARG 82 -17.519 5.185 9.718 561 HH11 ARG 82 1HH1 ARG 82 -18.551 8.509 9.691 562 HH12 ARG 82 2HH1 ARG 82 -18.691 8.616 11.415 563 HH21 ARG 82 1HH2 ARG 82 -17.699 5.312 11.989 564 HH22 ARG 82 2HH2 ARG 82 -18.206 6.797 12.721 565 H GLY 83 H GLY 83 -17.089 8.851 6.478 566 HA2 GLY 83 2HA GLY 83 -16.872 11.123 6.723 567 HA3 GLY 83 3HA GLY 83 -15.135 10.869 6.653 568 H TYR 84 H TYR 84 -16.317 13.134 5.587 569 HA TYR 84 HA TYR 84 -15.253 13.146 2.976 570 HB3 TYR 84 2HB TYR 84 -18.189 13.626 2.810 571 HD1 TYR 84 1HD TYR 84 -16.346 11.013 1.024 572 HD2 TYR 84 2HD TYR 84 -17.703 15.044 0.900 573 HE1 TYR 84 1HE TYR 84 -15.863 11.094 -1.386 574 HE2 TYR 84 2HE TYR 84 -17.225 15.136 -1.511 575 HH TYR 84 HH TYR 84 -16.636 12.407 -3.375 576 H ALA 85 H ALA 85 -15.138 14.670 5.411 577 HA ALA 85 HA ALA 85 -16.516 17.162 4.942 578 HB1 ALA 85 1HB ALA 85 -15.888 16.136 7.214 579 HB2 ALA 85 2HB ALA 85 -14.281 16.794 6.905 580 HB3 ALA 85 3HB ALA 85 -15.674 17.872 6.992 581 H ASP 86 H ASP 86 -14.696 19.086 5.558 582 HA ASP 86 HA ASP 86 -12.393 18.859 3.820 583 HB3 ASP 86 2HB ASP 86 -12.993 20.734 2.386 584 H LEU 87 H LEU 87 -10.805 20.374 4.252 585 HA LEU 87 HA LEU 87 -9.602 21.832 5.516 586 HB3 LEU 87 2HB LEU 87 -10.654 23.901 6.164 587 HG LEU 87 HG LEU 87 -11.553 22.859 3.509 588 HD11 LEU 87 1HD1 LEU 87 -12.513 25.021 2.973 589 HD12 LEU 87 2HD1 LEU 87 -12.222 25.581 4.619 590 HD13 LEU 87 3HD1 LEU 87 -13.378 24.283 4.321 591 HD21 LEU 87 3HD2 LEU 87 -9.727 25.094 4.385 592 HD22 LEU 87 1HD2 LEU 87 -10.077 24.653 2.714 593 HD23 LEU 87 2HD2 LEU 87 -9.232 23.517 3.767 594 H ARG 88 H ARG 88 -10.074 19.568 6.841 595 HA ARG 88 HA ARG 88 -10.248 20.478 9.595 596 HB3 ARG 88 2HB ARG 88 -11.847 18.061 8.790 597 HG3 ARG 88 2HG ARG 88 -11.292 18.402 11.193 598 HD3 ARG 88 2HD ARG 88 -12.948 20.883 10.772 599 HE ARG 88 HE ARG 88 -13.086 19.333 13.029 600 HH11 ARG 88 1HH1 ARG 88 -11.973 22.542 12.268 601 HH12 ARG 88 2HH1 ARG 88 -12.341 23.183 13.835 602 HH21 ARG 88 1HH2 ARG 88 -13.577 20.164 15.096 603 HH22 ARG 88 2HH2 ARG 88 -13.253 21.829 15.443 604 H GLU 89 H GLU 89 -8.247 19.907 10.201 605 HA GLU 89 HA GLU 89 -6.400 18.648 10.635 606 HB3 GLU 89 2HB GLU 89 -6.787 16.331 11.309 607 HG3 GLU 89 2HG GLU 89 -8.435 16.606 13.017 608 H ASP 90 H ASP 90 -7.206 19.098 7.826 609 HA ASP 90 HA ASP 90 -6.579 16.755 6.327 610 HB3 ASP 90 2HB ASP 90 -6.139 18.703 4.536 611 HA PRO 91 HA PRO 91 -2.195 16.778 6.211 612 HB3 PRO 91 2HB PRO 91 -2.316 14.985 4.779 613 HG3 PRO 91 2HG PRO 91 -3.953 14.873 3.132 614 HD3 PRO 91 2HD PRO 91 -5.265 15.367 4.962 615 H ASP 92 H ASP 92 -0.276 17.784 5.255 616 HA ASP 92 HA ASP 92 -0.410 19.848 3.344 617 HB3 ASP 92 2HB ASP 92 -1.575 21.243 4.811 618 H ARG 93 H ARG 93 1.515 19.330 2.504 619 HA ARG 93 HA ARG 93 3.877 19.689 4.188 620 HB3 ARG 93 2HB ARG 93 3.275 17.235 4.075 621 HG3 ARG 93 2HG ARG 93 4.119 17.566 1.204 622 HD3 ARG 93 2HD ARG 93 5.149 15.586 1.972 623 HE ARG 93 HE ARG 93 2.875 15.272 3.714 624 HH11 ARG 93 1HH1 ARG 93 5.603 13.709 2.219 625 HH12 ARG 93 2HH1 ARG 93 5.700 12.452 3.407 626 HH21 ARG 93 1HH2 ARG 93 2.993 13.622 5.285 627 HH22 ARG 93 2HH2 ARG 93 4.214 12.403 5.150 628 H GLN 94 H GLN 94 5.836 19.052 2.412 629 HA GLN 94 HA GLN 94 5.337 20.936 0.203 630 HB3 GLN 94 2HB GLN 94 6.995 21.680 1.907 631 HG3 GLN 94 2HG GLN 94 8.971 19.749 0.814 632 HE21 GLN 94 1HE2 GLN 94 7.967 20.409 4.108 633 HE22 GLN 94 2HE2 GLN 94 9.395 21.262 4.574 634 H ASP 95 H ASP 95 7.225 20.546 -1.537 635 HA ASP 95 HA ASP 95 8.056 17.902 -2.033 636 HB3 ASP 95 2HB ASP 95 5.820 18.679 -3.882 637 H HIS 96 H HIS 96 8.727 17.648 -4.420 638 HA HIS 96 HA HIS 96 9.077 19.924 -6.047 639 HB3 HIS 96 2HB HIS 96 10.608 20.736 -4.392 640 HD1 HIS 96 1HD HIS 96 10.652 19.260 -2.218 641 HD2 HIS 96 2HD HIS 96 13.294 18.078 -5.199 642 HE1 HIS 96 1HE HIS 96 12.261 17.680 -1.104 643 H HIS 97 H HIS 97 10.347 19.480 -7.954 644 HA HIS 97 HA HIS 97 11.658 17.039 -8.428 645 HB3 HIS 97 2HB HIS 97 9.017 17.058 -9.841 646 HD1 HIS 97 1HD HIS 97 9.168 15.265 -11.517 647 HD2 HIS 97 2HD HIS 97 11.475 14.424 -8.166 648 HE1 HIS 97 1HE HIS 97 10.234 13.034 -11.977 649 HA PRO 98 HA PRO 98 12.201 20.478 -11.504 650 HB3 PRO 98 2HB PRO 98 13.837 21.465 -10.227 651 HG3 PRO 98 2HG PRO 98 15.033 20.240 -8.654 652 HD3 PRO 98 2HD PRO 98 12.884 19.649 -8.066 653 H GLY 99 H GLY 99 13.999 20.439 -13.336 654 HA2 GLY 99 2HA GLY 99 15.212 18.128 -14.222 655 HA3 GLY 99 3HA GLY 99 13.555 18.026 -14.796 656 H SER 100 H SER 100 13.253 18.752 -16.783 657 HA SER 100 HA SER 100 13.478 19.924 -18.720 658 HB3 SER 100 2HB SER 100 14.966 22.066 -17.213 659 HG SER 100 HG SER 100 13.239 21.949 -19.441 660 H GLY 101 H GLY 101 15.331 17.961 -18.327 661 HA2 GLY 101 2HA GLY 101 17.900 19.146 -19.146 662 HA3 GLY 101 3HA GLY 101 17.693 17.532 -18.481 663 H ALA 102 H ALA 102 18.072 19.335 -21.286 664 HA ALA 102 HA ALA 102 18.106 17.039 -22.945 665 HB1 ALA 102 1HB ALA 102 15.765 17.067 -22.997 666 HB2 ALA 102 2HB ALA 102 15.701 18.826 -23.119 667 HB3 ALA 102 3HB ALA 102 16.253 17.865 -24.492 668 H GLN 103 H GLN 103 18.221 17.780 -25.362 669 HA GLN 103 HA GLN 103 20.197 19.902 -25.442 670 HB3 GLN 103 2HB GLN 103 19.227 17.989 -27.570 671 HG3 GLN 103 2HG GLN 103 21.445 20.012 -27.633 672 HE21 GLN 103 1HE2 GLN 103 22.229 19.986 -30.079 673 HE22 GLN 103 2HE2 GLN 103 22.854 18.457 -30.583 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -18.958 23.608 3.515 2 HA2 GLY 1 2HA GLY 1 -17.411 25.698 3.144 3 HA3 GLY 1 3HA GLY 1 -16.206 24.578 3.759 4 H SER 2 H SER 2 -15.229 25.068 1.619 5 HA SER 2 HA SER 2 -16.239 23.160 -0.377 6 HB3 SER 2 2HB SER 2 -15.635 24.718 -2.180 7 HG SER 2 HG SER 2 -17.294 26.232 -1.792 8 H LEU 3 H LEU 3 -14.711 21.623 0.150 9 HA LEU 3 HA LEU 3 -11.888 22.373 0.040 10 HB3 LEU 3 2HB LEU 3 -13.167 19.734 0.740 11 HG LEU 3 HG LEU 3 -10.977 19.424 2.043 12 HD11 LEU 3 1HD1 LEU 3 -10.454 17.926 0.475 13 HD12 LEU 3 2HD1 LEU 3 -10.238 19.163 -0.763 14 HD13 LEU 3 3HD1 LEU 3 -11.851 18.545 -0.405 15 HD21 LEU 3 3HD2 LEU 3 -9.098 20.613 1.459 16 HD22 LEU 3 1HD2 LEU 3 -10.333 21.869 1.374 17 HD23 LEU 3 2HD2 LEU 3 -9.758 21.098 -0.104 18 H VAL 4 H VAL 4 -10.615 21.937 -1.648 19 HA VAL 4 HA VAL 4 -11.637 20.110 -3.725 20 HB VAL 4 HB VAL 4 -10.249 21.570 -5.321 21 HG11 VAL 4 1HG1 VAL 4 -12.906 22.092 -4.149 22 HG12 VAL 4 2HG1 VAL 4 -12.219 23.389 -5.130 23 HG13 VAL 4 3HG1 VAL 4 -12.443 21.782 -5.821 24 HG21 VAL 4 3HG2 VAL 4 -10.730 23.729 -3.300 25 HG22 VAL 4 1HG2 VAL 4 -9.233 22.797 -3.287 26 HG23 VAL 4 2HG2 VAL 4 -9.672 23.739 -4.711 27 HA PRO 5 HA PRO 5 -7.859 17.885 -3.506 28 HB3 PRO 5 2HB PRO 5 -8.751 16.442 -5.056 29 HG3 PRO 5 2HG PRO 5 -10.081 17.222 -6.796 30 HD3 PRO 5 2HD PRO 5 -11.107 18.264 -5.015 31 H ARG 6 H ARG 6 -5.635 17.741 -4.442 32 HA ARG 6 HA ARG 6 -4.588 19.728 -6.140 33 HB3 ARG 6 2HB ARG 6 -3.584 20.291 -3.412 34 HG3 ARG 6 2HG ARG 6 -4.064 21.821 -5.920 35 HD3 ARG 6 2HD ARG 6 -3.576 23.116 -3.244 36 HE ARG 6 HE ARG 6 -3.275 24.122 -5.841 37 HH11 ARG 6 1HH1 ARG 6 -4.776 24.963 -2.814 38 HH12 ARG 6 2HH1 ARG 6 -4.660 26.670 -3.081 39 HH21 ARG 6 1HH2 ARG 6 -3.116 26.368 -6.204 40 HH22 ARG 6 2HH2 ARG 6 -3.716 27.469 -5.010 41 H GLY 7 H GLY 7 -2.374 19.448 -6.544 42 HA2 GLY 7 2HA GLY 7 -0.378 18.276 -5.235 43 HA3 GLY 7 3HA GLY 7 -1.352 16.872 -5.646 44 H SER 8 H SER 8 1.219 17.031 -6.542 45 HA SER 8 HA SER 8 1.065 17.929 -9.326 46 HB3 SER 8 2HB SER 8 3.508 17.564 -9.364 47 HG SER 8 HG SER 8 2.490 19.534 -8.435 48 H MET 9 H MET 9 0.850 15.116 -7.425 49 HA MET 9 HA MET 9 1.231 13.429 -9.811 50 HB3 MET 9 2HB MET 9 2.432 11.968 -8.610 51 HG3 MET 9 2HG MET 9 3.324 12.695 -6.397 52 HE1 MET 9 3HE MET 9 5.709 12.775 -9.051 53 HE2 MET 9 1HE MET 9 6.261 13.381 -7.489 54 HE3 MET 9 2HE MET 9 5.056 12.096 -7.559 55 H GLN 10 H GLN 10 -0.420 12.165 -10.457 56 HA GLN 10 HA GLN 10 -2.758 11.938 -8.685 57 HB3 GLN 10 2HB GLN 10 -4.233 12.222 -10.607 58 HG3 GLN 10 2HG GLN 10 -2.343 14.345 -9.867 59 HE21 GLN 10 1HE2 GLN 10 -1.510 15.748 -11.219 60 HE22 GLN 10 2HE2 GLN 10 -2.175 16.227 -12.740 61 H ILE 11 H ILE 11 -3.903 10.019 -8.768 62 HA ILE 11 HA ILE 11 -3.064 7.951 -10.639 63 HB ILE 11 HB ILE 11 -1.789 7.992 -8.256 64 HG13 ILE 11 2HG1 ILE 11 -1.299 6.540 -10.188 65 HG21 ILE 11 1HG2 ILE 11 -2.764 6.590 -6.658 66 HG22 ILE 11 2HG2 ILE 11 -4.083 7.634 -7.183 67 HG23 ILE 11 3HG2 ILE 11 -3.968 5.984 -7.793 68 HD11 ILE 11 3HD1 ILE 11 -0.016 5.243 -8.943 69 HD12 ILE 11 1HD1 ILE 11 -0.868 5.848 -7.522 70 HD13 ILE 11 2HD1 ILE 11 -1.415 4.371 -8.316 71 H PHE 12 H PHE 12 -4.385 5.888 -10.221 72 HA PHE 12 HA PHE 12 -7.153 6.706 -9.660 73 HB3 PHE 12 2HB PHE 12 -7.103 4.189 -10.965 74 HD1 PHE 12 2HD PHE 12 -6.806 7.576 -12.473 75 HD2 PHE 12 1HD PHE 12 -9.357 4.322 -11.461 76 HE1 PHE 12 2HE PHE 12 -8.662 8.663 -13.666 77 HE2 PHE 12 1HE PHE 12 -11.217 5.405 -12.653 78 HZ PHE 12 HZ PHE 12 -10.871 7.579 -13.757 79 H VAL 13 H VAL 13 -8.134 5.907 -7.928 80 HA VAL 13 HA VAL 13 -7.187 3.354 -6.809 81 HB VAL 13 HB VAL 13 -8.030 5.716 -5.130 82 HG11 VAL 13 1HG1 VAL 13 -8.072 4.276 -3.442 83 HG12 VAL 13 2HG1 VAL 13 -7.744 2.960 -4.570 84 HG13 VAL 13 3HG1 VAL 13 -6.409 3.799 -3.779 85 HG21 VAL 13 3HG2 VAL 13 -5.409 4.973 -6.263 86 HG22 VAL 13 1HG2 VAL 13 -6.022 6.545 -5.751 87 HG23 VAL 13 2HG2 VAL 13 -5.417 5.402 -4.553 88 H LYS 14 H LYS 14 -8.740 1.935 -6.275 89 HA LYS 14 HA LYS 14 -11.532 2.883 -6.321 90 HB3 LYS 14 2HB LYS 14 -11.928 0.372 -7.005 91 HG3 LYS 14 2HG LYS 14 -11.400 0.990 -9.452 92 HD3 LYS 14 2HD LYS 14 -13.329 2.370 -7.627 93 HE3 LYS 14 2HE LYS 14 -12.584 3.844 -9.628 94 HZ1 LYS 14 3HZ LYS 14 -12.803 1.920 -11.221 95 HZ2 LYS 14 1HZ LYS 14 -13.557 3.361 -11.690 96 HZ3 LYS 14 2HZ LYS 14 -14.480 2.087 -11.069 97 H THR 15 H THR 15 -12.498 2.720 -4.420 98 HA THR 15 HA THR 15 -11.368 1.168 -2.283 99 HB THR 15 HB THR 15 -13.058 2.099 -0.878 100 HG1 THR 15 1HG THR 15 -14.378 2.727 -3.318 101 HG21 THR 15 3HG2 THR 15 -12.108 4.115 -0.923 102 HG22 THR 15 1HG2 THR 15 -12.936 4.525 -2.426 103 HG23 THR 15 2HG2 THR 15 -11.385 3.686 -2.473 104 H LEU 16 H LEU 16 -13.228 0.018 -0.865 105 HA LEU 16 HA LEU 16 -13.971 -2.282 -2.412 106 HB3 LEU 16 2HB LEU 16 -14.723 -3.223 -0.334 107 HG LEU 16 HG LEU 16 -12.122 -2.590 -0.644 108 HD11 LEU 16 1HD1 LEU 16 -11.756 -0.682 0.502 109 HD12 LEU 16 2HD1 LEU 16 -11.675 -1.785 1.875 110 HD13 LEU 16 3HD1 LEU 16 -13.166 -0.904 1.540 111 HD21 LEU 16 3HD2 LEU 16 -13.691 -4.115 1.327 112 HD22 LEU 16 1HD2 LEU 16 -12.022 -3.768 1.777 113 HD23 LEU 16 2HD2 LEU 16 -12.370 -4.630 0.279 114 H THR 17 H THR 17 -15.603 0.514 -1.091 115 HA THR 17 HA THR 17 -18.245 -0.519 -1.630 116 HB THR 17 HB THR 17 -17.741 1.087 0.245 117 HG1 THR 17 1HG THR 17 -19.839 1.228 0.002 118 HG21 THR 17 3HG2 THR 17 -16.254 2.580 -1.053 119 HG22 THR 17 1HG2 THR 17 -17.567 3.451 -0.261 120 HG23 THR 17 2HG2 THR 17 -17.648 3.114 -1.991 121 H GLY 18 H GLY 18 -15.902 1.544 -3.207 122 HA2 GLY 18 2HA GLY 18 -16.212 1.427 -5.719 123 HA3 GLY 18 3HA GLY 18 -17.834 2.017 -5.389 124 H LYS 19 H LYS 19 -16.121 3.525 -3.128 125 HA LYS 19 HA LYS 19 -16.233 6.047 -4.364 126 HB3 LYS 19 2HB LYS 19 -14.310 5.971 -2.204 127 HG3 LYS 19 2HG LYS 19 -15.744 7.905 -2.767 128 HD3 LYS 19 2HD LYS 19 -17.799 6.126 -2.855 129 HE3 LYS 19 2HE LYS 19 -17.583 7.125 -0.105 130 HZ1 LYS 19 3HZ LYS 19 -19.639 7.938 0.179 131 HZ2 LYS 19 1HZ LYS 19 -20.339 6.898 -0.958 132 HZ3 LYS 19 2HZ LYS 19 -19.554 8.306 -1.470 133 H THR 20 H THR 20 -14.580 7.446 -5.060 134 HA THR 20 HA THR 20 -12.079 6.089 -5.834 135 HB THR 20 HB THR 20 -12.308 8.181 -7.608 136 HG1 THR 20 1HG THR 20 -14.388 8.316 -8.264 137 HG21 THR 20 3HG2 THR 20 -13.247 5.336 -7.990 138 HG22 THR 20 1HG2 THR 20 -11.581 5.896 -8.119 139 HG23 THR 20 2HG2 THR 20 -12.791 6.456 -9.274 140 H ILE 21 H ILE 21 -10.244 6.989 -5.151 141 HA ILE 21 HA ILE 21 -10.266 9.820 -4.355 142 HB ILE 21 HB ILE 21 -8.722 9.204 -2.465 143 HG13 ILE 21 2HG1 ILE 21 -8.379 7.014 -1.806 144 HG21 ILE 21 1HG2 ILE 21 -11.561 8.199 -2.428 145 HG22 ILE 21 2HG2 ILE 21 -10.569 8.421 -0.988 146 HG23 ILE 21 3HG2 ILE 21 -10.988 9.809 -1.991 147 HD11 ILE 21 3HD1 ILE 21 -10.366 5.947 -1.520 148 HD12 ILE 21 1HD1 ILE 21 -10.989 6.443 -3.093 149 HD13 ILE 21 2HD1 ILE 21 -9.804 5.140 -2.984 150 H THR 22 H THR 22 -8.524 10.979 -4.965 151 HA THR 22 HA THR 22 -6.644 9.751 -6.768 152 HB THR 22 HB THR 22 -6.276 12.559 -5.831 153 HG1 THR 22 1HG THR 22 -8.105 13.247 -6.714 154 HG21 THR 22 3HG2 THR 22 -4.911 12.476 -7.595 155 HG22 THR 22 1HG2 THR 22 -6.346 12.392 -8.615 156 HG23 THR 22 2HG2 THR 22 -5.548 10.909 -8.091 157 H LEU 23 H LEU 23 -4.508 9.347 -6.448 158 HA LEU 23 HA LEU 23 -3.324 10.089 -3.866 159 HB3 LEU 23 2HB LEU 23 -2.198 7.668 -4.262 160 HG LEU 23 HG LEU 23 -3.655 8.610 -2.242 161 HD11 LEU 23 1HD1 LEU 23 -5.803 8.056 -2.230 162 HD12 LEU 23 2HD1 LEU 23 -5.433 6.378 -2.622 163 HD13 LEU 23 3HD1 LEU 23 -5.629 7.563 -3.914 164 HD21 LEU 23 3HD2 LEU 23 -2.052 6.484 -2.636 165 HD22 LEU 23 1HD2 LEU 23 -3.576 5.664 -2.299 166 HD23 LEU 23 2HD2 LEU 23 -2.907 6.799 -1.126 167 H GLU 24 H GLU 24 -0.974 10.004 -3.844 168 HA GLU 24 HA GLU 24 0.123 10.630 -6.492 169 HB3 GLU 24 2HB GLU 24 0.343 12.380 -4.795 170 HG3 GLU 24 2HG GLU 24 1.270 10.187 -3.133 171 H VAL 25 H VAL 25 2.159 9.804 -7.141 172 HA VAL 25 HA VAL 25 3.204 7.532 -5.618 173 HB VAL 25 HB VAL 25 3.448 6.377 -7.958 174 HG11 VAL 25 1HG1 VAL 25 1.429 5.123 -7.544 175 HG12 VAL 25 2HG1 VAL 25 2.192 5.523 -6.004 176 HG13 VAL 25 3HG1 VAL 25 0.781 6.429 -6.551 177 HG21 VAL 25 3HG2 VAL 25 1.544 6.804 -9.437 178 HG22 VAL 25 1HG2 VAL 25 1.024 8.122 -8.387 179 HG23 VAL 25 2HG2 VAL 25 2.554 8.239 -9.258 180 H GLU 26 H GLU 26 5.380 7.099 -5.947 181 HA GLU 26 HA GLU 26 6.885 8.461 -7.985 182 HB3 GLU 26 2HB GLU 26 8.182 9.208 -5.551 183 HG3 GLU 26 2HG GLU 26 7.057 11.493 -6.725 184 HA PRO 27 HA PRO 27 9.485 4.969 -7.391 185 HB3 PRO 27 2HB PRO 27 10.407 5.483 -9.431 186 HG3 PRO 27 2HG PRO 27 10.699 7.693 -10.093 187 HD3 PRO 27 2HD PRO 27 8.492 7.765 -9.431 188 H SER 28 H SER 28 10.357 8.074 -6.071 189 HA SER 28 HA SER 28 12.255 6.777 -4.233 190 HB3 SER 28 2HB SER 28 12.314 9.639 -4.029 191 HG SER 28 HG SER 28 14.471 8.953 -5.160 192 H ASP 29 H ASP 29 9.137 7.953 -4.431 193 HA ASP 29 HA ASP 29 9.035 8.571 -1.554 194 HB3 ASP 29 2HB ASP 29 7.029 9.815 -1.969 195 H THR 30 H THR 30 8.232 7.064 -0.267 196 HA THR 30 HA THR 30 6.868 4.764 -1.373 197 HB THR 30 HB THR 30 6.965 3.835 0.880 198 HG1 THR 30 1HG THR 30 8.284 6.188 1.747 199 HG21 THR 30 3HG2 THR 30 9.153 4.459 -0.725 200 HG22 THR 30 1HG2 THR 30 9.097 3.255 0.561 201 HG23 THR 30 2HG2 THR 30 9.661 4.889 0.908 202 H ILE 31 H ILE 31 4.956 3.903 -0.007 203 HA ILE 31 HA ILE 31 2.757 5.563 -0.396 204 HB ILE 31 HB ILE 31 2.860 3.313 1.610 205 HG13 ILE 31 2HG1 ILE 31 2.054 1.928 -0.376 206 HG21 ILE 31 1HG2 ILE 31 0.453 3.106 0.547 207 HG22 ILE 31 2HG2 ILE 31 0.780 4.216 1.876 208 HG23 ILE 31 3HG2 ILE 31 0.708 4.819 0.221 209 HD11 ILE 31 3HD1 ILE 31 2.056 2.682 -2.465 210 HD12 ILE 31 1HD1 ILE 31 2.073 4.294 -1.751 211 HD13 ILE 31 2HD1 ILE 31 3.584 3.535 -2.250 212 H GLU 32 H GLU 32 4.968 5.389 2.250 213 HA GLU 32 HA GLU 32 3.501 6.313 4.389 214 HB3 GLU 32 2HB GLU 32 6.335 7.019 3.610 215 HG3 GLU 32 2HG GLU 32 4.818 7.507 6.136 216 H ASN 33 H ASN 33 5.179 8.285 1.942 217 HA ASN 33 HA ASN 33 4.078 10.733 2.961 218 HB3 ASN 33 2HB ASN 33 5.056 11.604 0.708 219 HD21 ASN 33 1HD2 ASN 33 7.575 9.569 1.694 220 HD22 ASN 33 2HD2 ASN 33 8.331 10.647 2.814 221 H VAL 34 H VAL 34 3.274 8.443 0.450 222 HA VAL 34 HA VAL 34 1.536 10.000 -1.090 223 HB VAL 34 HB VAL 34 1.441 7.036 -0.517 224 HG11 VAL 34 1HG1 VAL 34 0.177 7.025 -2.743 225 HG12 VAL 34 2HG1 VAL 34 -0.706 7.543 -1.306 226 HG13 VAL 34 3HG1 VAL 34 -0.099 8.741 -2.449 227 HG21 VAL 34 3HG2 VAL 34 3.454 7.384 -1.600 228 HG22 VAL 34 1HG2 VAL 34 2.362 7.076 -2.950 229 HG23 VAL 34 2HG2 VAL 34 2.828 8.729 -2.553 230 H LYS 35 H LYS 35 1.056 8.324 1.951 231 HA LYS 35 HA LYS 35 -1.703 8.250 2.113 232 HB3 LYS 35 2HB LYS 35 0.065 7.382 3.770 233 HG3 LYS 35 2HG LYS 35 0.760 9.924 4.179 234 HD3 LYS 35 2HD LYS 35 -1.593 9.405 5.919 235 HE3 LYS 35 2HE LYS 35 0.540 11.273 6.868 236 HZ1 LYS 35 3HZ LYS 35 -0.950 11.612 8.449 237 HZ2 LYS 35 1HZ LYS 35 -0.887 9.980 8.892 238 HZ3 LYS 35 2HZ LYS 35 -2.009 10.500 7.739 239 H ALA 36 H ALA 36 0.437 10.974 2.313 240 HA ALA 36 HA ALA 36 -1.286 12.793 3.611 241 HB1 ALA 36 1HB ALA 36 1.136 13.150 3.343 242 HB2 ALA 36 2HB ALA 36 0.890 13.403 1.614 243 HB3 ALA 36 3HB ALA 36 0.185 14.524 2.779 244 H LYS 37 H LYS 37 -1.020 11.724 0.295 245 HA LYS 37 HA LYS 37 -2.604 13.809 -0.837 246 HB3 LYS 37 2HB LYS 37 -2.742 11.420 -2.406 247 HG3 LYS 37 2HG LYS 37 -2.596 13.746 -3.266 248 HD3 LYS 37 2HD LYS 37 0.096 14.176 -3.545 249 HE3 LYS 37 2HE LYS 37 -1.401 15.351 -1.233 250 HZ1 LYS 37 3HZ LYS 37 0.943 16.006 -2.277 251 HZ2 LYS 37 1HZ LYS 37 -0.094 17.138 -1.566 252 HZ3 LYS 37 2HZ LYS 37 -0.061 16.962 -3.247 253 H ILE 38 H ILE 38 -3.278 10.425 0.033 254 HA ILE 38 HA ILE 38 -6.056 10.614 -0.607 255 HB ILE 38 HB ILE 38 -4.742 8.476 -0.601 256 HG13 ILE 38 2HG1 ILE 38 -6.643 7.248 -0.263 257 HG21 ILE 38 1HG2 ILE 38 -4.980 8.814 2.385 258 HG22 ILE 38 2HG2 ILE 38 -4.518 7.315 1.581 259 HG23 ILE 38 3HG2 ILE 38 -3.496 8.745 1.436 260 HD11 ILE 38 3HD1 ILE 38 -8.309 7.845 1.593 261 HD12 ILE 38 1HD1 ILE 38 -6.817 7.016 2.035 262 HD13 ILE 38 2HD1 ILE 38 -6.972 8.753 2.297 263 H GLN 39 H GLN 39 -4.131 11.160 2.246 264 HA GLN 39 HA GLN 39 -5.990 10.943 4.270 265 HB3 GLN 39 2HB GLN 39 -3.732 12.917 3.923 266 HG3 GLN 39 2HG GLN 39 -5.508 12.437 6.282 267 HE21 GLN 39 1HE2 GLN 39 -2.317 13.713 5.405 268 HE22 GLN 39 2HE2 GLN 39 -1.612 13.499 6.967 269 H ASP 40 H ASP 40 -5.507 13.588 1.992 270 HA ASP 40 HA ASP 40 -7.417 15.320 3.242 271 HB3 ASP 40 2HB ASP 40 -6.518 15.547 0.379 272 H LYS 41 H LYS 41 -7.534 12.788 0.881 273 HA LYS 41 HA LYS 41 -10.074 13.512 -0.231 274 HB3 LYS 41 2HB LYS 41 -9.858 10.899 -0.854 275 HG3 LYS 41 2HG LYS 41 -9.501 13.201 -2.241 276 HD3 LYS 41 2HD LYS 41 -7.256 12.218 -3.485 277 HE3 LYS 41 2HE LYS 41 -6.126 14.180 -2.187 278 HZ1 LYS 41 3HZ LYS 41 -7.444 15.789 -3.530 279 HZ2 LYS 41 1HZ LYS 41 -8.467 14.518 -3.975 280 HZ3 LYS 41 2HZ LYS 41 -6.835 14.482 -4.415 281 H GLU 42 H GLU 42 -9.023 10.895 1.954 282 HA GLU 42 HA GLU 42 -11.755 10.861 3.056 283 HB3 GLU 42 2HB GLU 42 -11.456 8.421 3.442 284 HG3 GLU 42 2HG GLU 42 -11.442 7.715 0.990 285 H GLY 43 H GLY 43 -8.312 10.385 3.643 286 HA2 GLY 43 2HA GLY 43 -7.291 11.270 5.627 287 HA3 GLY 43 3HA GLY 43 -8.802 10.993 6.481 288 H ILE 44 H ILE 44 -7.971 8.422 4.451 289 HA ILE 44 HA ILE 44 -7.555 6.672 6.673 290 HB ILE 44 HB ILE 44 -7.598 6.303 3.701 291 HG13 ILE 44 2HG1 ILE 44 -9.207 5.349 6.060 292 HG21 ILE 44 1HG2 ILE 44 -5.820 4.872 4.195 293 HG22 ILE 44 2HG2 ILE 44 -6.517 4.387 5.739 294 HG23 ILE 44 3HG2 ILE 44 -7.235 3.821 4.230 295 HD11 ILE 44 3HD1 ILE 44 -9.909 7.442 5.009 296 HD12 ILE 44 1HD1 ILE 44 -10.039 6.611 3.459 297 HD13 ILE 44 2HD1 ILE 44 -11.100 6.159 4.794 298 HA PRO 45 HA PRO 45 -3.147 7.453 6.825 299 HB3 PRO 45 2HB PRO 45 -3.382 7.533 9.109 300 HG3 PRO 45 2HG PRO 45 -5.055 6.330 10.186 301 HD3 PRO 45 2HD PRO 45 -6.305 7.375 8.555 302 HA PRO 46 HA PRO 46 -1.331 3.930 4.919 303 HB3 PRO 46 2HB PRO 46 0.617 5.138 4.769 304 HG3 PRO 46 2HG PRO 46 1.284 6.559 6.484 305 HD3 PRO 46 2HD PRO 46 -0.894 7.264 6.209 306 H ASP 47 H ASP 47 -1.277 4.125 8.406 307 HA ASP 47 HA ASP 47 -0.473 1.377 8.769 308 HB3 ASP 47 2HB ASP 47 0.188 2.959 10.462 309 H GLN 48 H GLN 48 -3.403 3.092 8.280 310 HA GLN 48 HA GLN 48 -4.975 0.767 9.164 311 HB3 GLN 48 2HB GLN 48 -6.157 3.446 8.497 312 HG3 GLN 48 2HG GLN 48 -6.956 1.288 10.437 313 HE21 GLN 48 1HE2 GLN 48 -8.676 1.699 11.737 314 HE22 GLN 48 2HE2 GLN 48 -9.376 3.266 11.936 315 H GLN 49 H GLN 49 -3.520 1.625 6.503 316 HA GLN 49 HA GLN 49 -5.794 1.004 4.737 317 HB3 GLN 49 2HB GLN 49 -4.485 3.246 4.515 318 HG3 GLN 49 2HG GLN 49 -2.660 1.410 2.979 319 HE21 GLN 49 1HE2 GLN 49 -1.755 2.330 1.295 320 HE22 GLN 49 2HE2 GLN 49 -1.598 4.028 1.018 321 H ARG 50 H ARG 50 -5.440 -0.443 2.993 322 HA ARG 50 HA ARG 50 -3.178 -2.278 3.444 323 HB3 ARG 50 2HB ARG 50 -5.159 -3.472 3.906 324 HG3 ARG 50 2HG ARG 50 -6.356 -2.560 1.302 325 HD3 ARG 50 2HD ARG 50 -8.436 -3.442 2.441 326 HE ARG 50 HE ARG 50 -6.367 -5.099 1.307 327 HH11 ARG 50 1HH1 ARG 50 -9.607 -4.984 2.576 328 HH12 ARG 50 2HH1 ARG 50 -10.125 -6.409 1.739 329 HH21 ARG 50 1HH2 ARG 50 -7.036 -6.977 0.201 330 HH22 ARG 50 2HH2 ARG 50 -8.662 -7.543 0.389 331 H LEU 51 H LEU 51 -1.982 -2.999 1.711 332 HA LEU 51 HA LEU 51 -2.205 -1.383 -0.708 333 HB3 LEU 51 2HB LEU 51 0.012 -2.745 -1.167 334 HG LEU 51 HG LEU 51 0.263 -0.408 -0.921 335 HD11 LEU 51 1HD1 LEU 51 0.138 0.720 1.262 336 HD12 LEU 51 2HD1 LEU 51 -0.381 -0.796 1.998 337 HD13 LEU 51 3HD1 LEU 51 -1.398 -0.010 0.792 338 HD21 LEU 51 3HD2 LEU 51 1.912 -1.274 1.396 339 HD22 LEU 51 1HD2 LEU 51 2.359 -0.321 -0.019 340 HD23 LEU 51 2HD2 LEU 51 2.166 -2.070 -0.158 341 H ILE 52 H ILE 52 -3.077 -2.137 -2.516 342 HA ILE 52 HA ILE 52 -3.103 -5.041 -2.978 343 HB ILE 52 HB ILE 52 -5.417 -3.134 -3.256 344 HG13 ILE 52 2HG1 ILE 52 -4.892 -5.676 -1.726 345 HG21 ILE 52 1HG2 ILE 52 -6.600 -5.162 -4.256 346 HG22 ILE 52 2HG2 ILE 52 -5.485 -4.280 -5.300 347 HG23 ILE 52 3HG2 ILE 52 -4.986 -5.802 -4.563 348 HD11 ILE 52 3HD1 ILE 52 -5.047 -2.922 -1.016 349 HD12 ILE 52 1HD1 ILE 52 -6.372 -3.798 -0.249 350 HD13 ILE 52 2HD1 ILE 52 -4.706 -4.320 0.004 351 H PHE 53 H PHE 53 -2.013 -5.462 -4.771 352 HA PHE 53 HA PHE 53 -2.283 -3.618 -7.050 353 HB3 PHE 53 2HB PHE 53 0.197 -4.834 -5.876 354 HD1 PHE 53 2HD PHE 53 -1.015 -3.317 -9.059 355 HD2 PHE 53 1HD PHE 53 1.956 -5.653 -7.103 356 HE1 PHE 53 2HE PHE 53 0.074 -3.737 -11.225 357 HE2 PHE 53 1HE PHE 53 3.052 -6.077 -9.265 358 HZ PHE 53 HZ PHE 53 2.110 -5.119 -11.330 359 H ALA 54 H ALA 54 -2.994 -4.556 -8.845 360 HA ALA 54 HA ALA 54 -3.683 -6.146 -10.324 361 HB1 ALA 54 1HB ALA 54 -1.163 -6.359 -10.447 362 HB2 ALA 54 2HB ALA 54 -1.328 -7.775 -9.409 363 HB3 ALA 54 3HB ALA 54 -2.093 -7.752 -10.998 364 H GLY 55 H GLY 55 -4.695 -6.273 -7.587 365 HA2 GLY 55 2HA GLY 55 -6.324 -7.651 -6.649 366 HA3 GLY 55 3HA GLY 55 -5.831 -8.937 -7.741 367 H LYS 56 H LYS 56 -2.990 -8.049 -6.611 368 HA LYS 56 HA LYS 56 -3.060 -10.033 -4.458 369 HB3 LYS 56 2HB LYS 56 -0.550 -8.844 -5.596 370 HG3 LYS 56 2HG LYS 56 -1.115 -11.671 -4.744 371 HD3 LYS 56 2HD LYS 56 1.445 -11.499 -4.403 372 HE3 LYS 56 2HE LYS 56 0.482 -11.406 -7.253 373 HZ1 LYS 56 3HZ LYS 56 2.863 -12.287 -5.930 374 HZ2 LYS 56 1HZ LYS 56 2.582 -12.018 -7.576 375 HZ3 LYS 56 2HZ LYS 56 2.173 -13.505 -6.881 376 H GLN 57 H GLN 57 -2.936 -9.440 -2.399 377 HA GLN 57 HA GLN 57 -2.572 -6.668 -1.709 378 HB3 GLN 57 2HB GLN 57 -3.008 -7.433 0.603 379 HG3 GLN 57 2HG GLN 57 -4.827 -7.846 -1.610 380 HE21 GLN 57 1HE2 GLN 57 -5.687 -9.760 -2.035 381 HE22 GLN 57 2HE2 GLN 57 -6.381 -10.832 -0.871 382 H LEU 58 H LEU 58 -1.042 -5.921 -0.100 383 HA LEU 58 HA LEU 58 1.232 -7.525 0.579 384 HB3 LEU 58 2HB LEU 58 1.682 -6.926 -1.793 385 HG LEU 58 HG LEU 58 1.479 -4.138 -0.770 386 HD11 LEU 58 1HD1 LEU 58 3.556 -3.643 -1.416 387 HD12 LEU 58 2HD1 LEU 58 2.964 -3.865 -3.061 388 HD13 LEU 58 3HD1 LEU 58 3.769 -5.194 -2.227 389 HD21 LEU 58 3HD2 LEU 58 0.692 -3.778 -3.089 390 HD22 LEU 58 1HD2 LEU 58 -0.259 -4.975 -2.210 391 HD23 LEU 58 2HD2 LEU 58 0.929 -5.496 -3.405 392 H GLU 59 H GLU 59 3.085 -5.619 1.167 393 HA GLU 59 HA GLU 59 1.650 -3.761 2.947 394 HB3 GLU 59 2HB GLU 59 3.491 -4.076 4.586 395 HG3 GLU 59 2HG GLU 59 3.007 -6.524 5.142 396 H ASP 60 H ASP 60 3.440 -2.143 3.881 397 HA ASP 60 HA ASP 60 4.825 -1.052 1.521 398 HB3 ASP 60 2HB ASP 60 3.002 0.144 3.389 399 H GLY 61 H GLY 61 6.827 0.117 1.913 400 HA2 GLY 61 2HA GLY 61 8.224 0.178 4.319 401 HA3 GLY 61 3HA GLY 61 8.609 -1.357 3.552 402 H ARG 62 H ARG 62 9.438 -1.243 1.305 403 HA ARG 62 HA ARG 62 11.422 0.870 1.135 404 HB3 ARG 62 2HB ARG 62 12.417 -0.467 -0.635 405 HG3 ARG 62 2HG ARG 62 11.510 -2.413 1.466 406 HD3 ARG 62 2HD ARG 62 14.063 -2.115 -0.113 407 HE ARG 62 HE ARG 62 14.883 -3.310 1.657 408 HH11 ARG 62 1HH1 ARG 62 11.693 -4.470 0.882 409 HH12 ARG 62 2HH1 ARG 62 11.775 -5.814 1.971 410 HH21 ARG 62 1HH2 ARG 62 15.004 -5.078 3.094 411 HH22 ARG 62 2HH2 ARG 62 13.659 -6.159 3.229 412 H THR 63 H THR 63 11.885 1.805 -1.069 413 HA THR 63 HA THR 63 9.487 3.049 -2.052 414 HB THR 63 HB THR 63 10.994 4.308 -3.549 415 HG1 THR 63 1HG THR 63 13.191 3.882 -3.529 416 HG21 THR 63 3HG2 THR 63 10.749 5.379 -1.500 417 HG22 THR 63 1HG2 THR 63 12.500 5.238 -1.651 418 HG23 THR 63 2HG2 THR 63 11.609 4.114 -0.622 419 H LEU 64 H LEU 64 8.897 3.137 -4.323 420 HA LEU 64 HA LEU 64 8.466 0.662 -5.475 421 HB3 LEU 64 2HB LEU 64 7.615 1.785 -7.341 422 HG LEU 64 HG LEU 64 7.449 4.033 -5.350 423 HD11 LEU 64 1HD1 LEU 64 6.465 4.658 -7.382 424 HD12 LEU 64 2HD1 LEU 64 5.120 4.122 -6.376 425 HD13 LEU 64 3HD1 LEU 64 5.758 3.062 -7.632 426 HD21 LEU 64 3HD2 LEU 64 5.476 2.879 -4.429 427 HD22 LEU 64 1HD2 LEU 64 6.971 1.989 -4.143 428 HD23 LEU 64 2HD2 LEU 64 5.863 1.468 -5.413 429 H SER 65 H SER 65 11.154 2.878 -5.904 430 HA SER 65 HA SER 65 12.310 1.540 -8.132 431 HB3 SER 65 2HB SER 65 13.582 3.392 -6.099 432 HG SER 65 HG SER 65 15.234 3.570 -7.538 433 H GLU 66 H GLU 66 12.583 1.204 -4.656 434 HA GLU 66 HA GLU 66 14.862 -0.527 -4.730 435 HB3 GLU 66 2HB GLU 66 13.993 -1.042 -2.320 436 HG3 GLU 66 2HG GLU 66 14.865 1.729 -3.108 437 H TYR 67 H TYR 67 11.369 -0.977 -4.547 438 HA TYR 67 HA TYR 67 11.641 -3.863 -4.391 439 HB3 TYR 67 2HB TYR 67 8.968 -3.346 -4.839 440 HD1 TYR 67 1HD TYR 67 10.322 -5.545 -3.673 441 HD2 TYR 67 2HD TYR 67 8.913 -2.018 -1.756 442 HE1 TYR 67 1HE TYR 67 10.174 -6.769 -1.544 443 HE2 TYR 67 2HE TYR 67 8.762 -3.231 0.379 444 HH TYR 67 HH TYR 67 9.089 -6.656 0.572 445 H ASN 68 H ASN 68 11.712 -1.579 -6.810 446 HA ASN 68 HA ASN 68 11.435 -1.609 -9.073 447 HB3 ASN 68 2HB ASN 68 11.844 -4.587 -8.948 448 HD21 ASN 68 1HD2 ASN 68 12.520 -5.414 -10.827 449 HD22 ASN 68 2HD2 ASN 68 12.838 -4.491 -12.254 450 H ILE 69 H ILE 69 9.022 -1.774 -7.635 451 HA ILE 69 HA ILE 69 7.395 -3.691 -9.142 452 HB ILE 69 HB ILE 69 5.558 -2.955 -7.591 453 HG13 ILE 69 2HG1 ILE 69 6.586 -0.766 -7.003 454 HG21 ILE 69 1HG2 ILE 69 7.914 -4.539 -6.992 455 HG22 ILE 69 2HG2 ILE 69 7.123 -3.933 -5.537 456 HG23 ILE 69 3HG2 ILE 69 6.210 -4.891 -6.702 457 HD11 ILE 69 3HD1 ILE 69 5.904 -0.657 -4.780 458 HD12 ILE 69 1HD1 ILE 69 4.922 -1.945 -5.476 459 HD13 ILE 69 2HD1 ILE 69 6.317 -2.344 -4.474 460 H GLN 70 H GLN 70 5.459 -3.007 -10.201 461 HA GLN 70 HA GLN 70 5.758 -0.402 -11.457 462 HB3 GLN 70 2HB GLN 70 5.356 -2.236 -12.950 463 HG3 GLN 70 2HG GLN 70 3.179 -2.921 -11.062 464 HE21 GLN 70 1HE2 GLN 70 1.666 -1.665 -12.574 465 HE22 GLN 70 2HE2 GLN 70 0.920 -2.595 -13.825 466 H LYS 71 H LYS 71 5.104 -0.030 -8.864 467 HA LYS 71 HA LYS 71 2.226 0.287 -8.626 468 HB3 LYS 71 2HB LYS 71 4.404 1.105 -6.695 469 HG3 LYS 71 2HG LYS 71 1.847 0.274 -5.598 470 HD3 LYS 71 2HD LYS 71 2.173 2.530 -4.440 471 HE3 LYS 71 2HE LYS 71 4.140 1.686 -3.119 472 HZ1 LYS 71 3HZ LYS 71 2.801 0.279 -2.026 473 HZ2 LYS 71 1HZ LYS 71 2.462 -0.656 -3.394 474 HZ3 LYS 71 2HZ LYS 71 1.622 0.788 -3.127 475 H GLU 72 H GLU 72 3.027 1.777 -10.719 476 HA GLU 72 HA GLU 72 2.637 4.501 -9.718 477 HB3 GLU 72 2HB GLU 72 4.454 4.193 -12.048 478 HG3 GLU 72 2HG GLU 72 4.948 5.948 -9.695 479 H SER 73 H SER 73 0.945 2.446 -11.016 480 HA SER 73 HA SER 73 0.087 4.063 -13.319 481 HB3 SER 73 2HB SER 73 -0.636 1.921 -14.419 482 HG SER 73 HG SER 73 1.407 1.471 -15.170 483 H THR 74 H THR 74 -1.217 1.136 -11.792 484 HA THR 74 HA THR 74 -3.544 2.689 -10.895 485 HB THR 74 HB THR 74 -4.046 -0.051 -11.945 486 HG1 THR 74 1HG THR 74 -3.980 2.204 -13.676 487 HG21 THR 74 3HG2 THR 74 -5.810 2.200 -12.613 488 HG22 THR 74 1HG2 THR 74 -5.621 1.900 -10.886 489 HG23 THR 74 2HG2 THR 74 -6.199 0.615 -11.946 490 H LEU 75 H LEU 75 -3.423 2.522 -8.743 491 HA LEU 75 HA LEU 75 -3.246 -0.172 -7.587 492 HB3 LEU 75 2HB LEU 75 -2.103 1.640 -5.747 493 HG LEU 75 HG LEU 75 0.069 0.399 -6.286 494 HD11 LEU 75 1HD1 LEU 75 -2.391 -0.526 -5.022 495 HD12 LEU 75 2HD1 LEU 75 -0.730 -0.551 -4.431 496 HD13 LEU 75 3HD1 LEU 75 -1.305 -1.833 -5.494 497 HD21 LEU 75 3HD2 LEU 75 -1.701 -1.544 -7.710 498 HD22 LEU 75 1HD2 LEU 75 0.058 -1.412 -7.719 499 HD23 LEU 75 2HD2 LEU 75 -0.919 -0.239 -8.603 500 H HIS 76 H HIS 76 -4.574 -0.560 -5.870 501 HA HIS 76 HA HIS 76 -6.270 1.680 -4.980 502 HB3 HIS 76 2HB HIS 76 -8.166 0.282 -4.941 503 HD1 HIS 76 1HD HIS 76 -6.614 1.663 -7.400 504 HD2 HIS 76 2HD HIS 76 -8.446 -2.065 -7.364 505 HE1 HIS 76 1HE HIS 76 -7.141 1.150 -9.805 506 H LEU 77 H LEU 77 -5.656 2.204 -2.984 507 HA LEU 77 HA LEU 77 -5.319 0.032 -1.027 508 HB3 LEU 77 2HB LEU 77 -3.341 0.795 -0.286 509 HG LEU 77 HG LEU 77 -3.182 0.884 -2.931 510 HD11 LEU 77 1HD1 LEU 77 -2.055 3.548 -2.585 511 HD12 LEU 77 2HD1 LEU 77 -3.811 3.508 -2.428 512 HD13 LEU 77 3HD1 LEU 77 -3.043 2.892 -3.891 513 HD21 LEU 77 3HD2 LEU 77 -1.301 1.390 -0.743 514 HD22 LEU 77 1HD2 LEU 77 -0.755 1.960 -2.320 515 HD23 LEU 77 2HD2 LEU 77 -1.194 0.267 -2.099 516 H VAL 78 H VAL 78 -7.344 0.259 -0.142 517 HA VAL 78 HA VAL 78 -7.696 2.561 1.593 518 HB VAL 78 HB VAL 78 -9.975 1.798 -0.220 519 HG11 VAL 78 1HG1 VAL 78 -10.681 4.154 0.459 520 HG12 VAL 78 2HG1 VAL 78 -10.769 2.898 1.694 521 HG13 VAL 78 3HG1 VAL 78 -9.430 4.045 1.696 522 HG21 VAL 78 3HG2 VAL 78 -9.468 3.805 -1.542 523 HG22 VAL 78 1HG2 VAL 78 -7.989 4.035 -0.611 524 HG23 VAL 78 2HG2 VAL 78 -8.173 2.612 -1.637 525 H LEU 79 H LEU 79 -8.612 2.007 3.483 526 HA LEU 79 HA LEU 79 -9.808 -0.679 3.675 527 HB3 LEU 79 2HB LEU 79 -8.594 0.794 5.985 528 HG LEU 79 HG LEU 79 -9.850 -1.295 6.485 529 HD11 LEU 79 1HD1 LEU 79 -9.358 -2.481 4.399 530 HD12 LEU 79 2HD1 LEU 79 -8.910 -3.431 5.815 531 HD13 LEU 79 3HD1 LEU 79 -7.665 -2.609 4.876 532 HD21 LEU 79 3HD2 LEU 79 -6.875 -1.302 6.970 533 HD22 LEU 79 1HD2 LEU 79 -8.030 -2.333 7.814 534 HD23 LEU 79 2HD2 LEU 79 -8.120 -0.581 7.992 535 H ARG 80 H ARG 80 -11.945 -0.540 3.828 536 HA ARG 80 HA ARG 80 -14.036 0.258 4.298 537 HB3 ARG 80 2HB ARG 80 -12.752 0.888 6.960 538 HG3 ARG 80 2HG ARG 80 -15.576 0.442 6.101 539 HD3 ARG 80 2HD ARG 80 -15.059 -1.263 7.822 540 HE ARG 80 HE ARG 80 -13.688 0.802 9.135 541 HH11 ARG 80 1HH1 ARG 80 -15.909 -1.790 9.817 542 HH12 ARG 80 2HH1 ARG 80 -15.354 -2.012 11.443 543 HH21 ARG 80 1HH2 ARG 80 -12.949 0.519 11.275 544 HH22 ARG 80 2HH2 ARG 80 -13.671 -0.697 12.271 545 H LEU 81 H LEU 81 -13.524 2.053 2.749 546 HA LEU 81 HA LEU 81 -12.669 4.579 3.426 547 HB3 LEU 81 2HB LEU 81 -13.280 3.710 1.145 548 HG LEU 81 HG LEU 81 -15.415 3.928 0.220 549 HD11 LEU 81 1HD1 LEU 81 -15.906 2.790 2.966 550 HD12 LEU 81 2HD1 LEU 81 -15.115 1.924 1.649 551 HD13 LEU 81 3HD1 LEU 81 -16.797 2.429 1.487 552 HD21 LEU 81 3HD2 LEU 81 -17.097 5.249 0.970 553 HD22 LEU 81 1HD2 LEU 81 -15.763 6.064 1.787 554 HD23 LEU 81 2HD2 LEU 81 -16.761 4.906 2.667 555 H ARG 82 H ARG 82 -14.065 6.588 3.548 556 HA ARG 82 HA ARG 82 -16.682 6.571 4.508 557 HB3 ARG 82 2HB ARG 82 -15.245 7.302 6.905 558 HG3 ARG 82 2HG ARG 82 -16.949 4.907 6.919 559 HD3 ARG 82 2HD ARG 82 -17.573 7.386 8.409 560 HE ARG 82 HE ARG 82 -17.976 4.602 8.809 561 HH11 ARG 82 1HH1 ARG 82 -17.464 7.603 10.498 562 HH12 ARG 82 2HH1 ARG 82 -18.283 7.085 11.934 563 HH21 ARG 82 1HH2 ARG 82 -19.055 3.909 10.695 564 HH22 ARG 82 2HH2 ARG 82 -19.187 4.983 12.046 565 H GLY 83 H GLY 83 -16.868 8.396 3.249 566 HA2 GLY 83 2HA GLY 83 -15.152 10.690 3.857 567 HA3 GLY 83 3HA GLY 83 -16.245 10.548 2.488 568 H TYR 84 H TYR 84 -16.666 12.822 3.327 569 HA TYR 84 HA TYR 84 -19.219 12.912 4.486 570 HB3 TYR 84 2HB TYR 84 -17.473 14.279 6.417 571 HD1 TYR 84 1HD TYR 84 -19.892 11.435 6.131 572 HD2 TYR 84 2HD TYR 84 -18.860 15.081 8.066 573 HE1 TYR 84 1HE TYR 84 -21.942 11.290 7.484 574 HE2 TYR 84 2HE TYR 84 -20.905 14.946 9.426 575 HH TYR 84 HH TYR 84 -22.826 13.860 9.760 576 H ALA 85 H ALA 85 -19.372 15.400 5.539 577 HA ALA 85 HA ALA 85 -18.731 17.057 3.229 578 HB1 ALA 85 1HB ALA 85 -20.415 17.692 5.650 579 HB2 ALA 85 2HB ALA 85 -20.272 18.672 4.191 580 HB3 ALA 85 3HB ALA 85 -21.019 17.076 4.111 581 H ASP 86 H ASP 86 -18.454 19.533 4.121 582 HA ASP 86 HA ASP 86 -16.990 21.048 4.978 583 HB3 ASP 86 2HB ASP 86 -15.965 19.429 7.184 584 H LEU 87 H LEU 87 -14.676 21.470 5.333 585 HA LEU 87 HA LEU 87 -13.089 19.889 3.549 586 HB3 LEU 87 2HB LEU 87 -11.486 21.556 3.704 587 HG LEU 87 HG LEU 87 -14.070 22.500 3.414 588 HD11 LEU 87 1HD1 LEU 87 -14.266 23.421 5.566 589 HD12 LEU 87 2HD1 LEU 87 -13.852 24.776 4.518 590 HD13 LEU 87 3HD1 LEU 87 -12.617 24.045 5.540 591 HD21 LEU 87 3HD2 LEU 87 -13.068 24.233 2.172 592 HD22 LEU 87 1HD2 LEU 87 -11.966 22.862 2.042 593 HD23 LEU 87 2HD2 LEU 87 -11.597 24.189 3.144 594 H ARG 88 H ARG 88 -10.597 19.787 4.540 595 HA ARG 88 HA ARG 88 -10.810 18.201 7.012 596 HB3 ARG 88 2HB ARG 88 -8.695 17.348 5.177 597 HG3 ARG 88 2HG ARG 88 -10.698 15.371 5.789 598 HD3 ARG 88 2HD ARG 88 -7.850 15.723 6.717 599 HE ARG 88 HE ARG 88 -8.870 13.064 6.452 600 HH11 ARG 88 1HH1 ARG 88 -8.616 15.795 8.595 601 HH12 ARG 88 2HH1 ARG 88 -8.763 14.845 10.036 602 HH21 ARG 88 1HH2 ARG 88 -9.064 11.801 8.342 603 HH22 ARG 88 2HH2 ARG 88 -9.017 12.572 9.891 604 H GLU 89 H GLU 89 -8.199 17.595 7.433 605 HA GLU 89 HA GLU 89 -7.171 19.981 8.520 606 HB3 GLU 89 2HB GLU 89 -5.861 17.302 8.037 607 HG3 GLU 89 2HG GLU 89 -4.895 19.591 9.737 608 H ASP 90 H ASP 90 -6.918 18.605 5.397 609 HA ASP 90 HA ASP 90 -5.877 19.281 3.490 610 HB3 ASP 90 2HB ASP 90 -4.941 21.782 4.859 611 HA PRO 91 HA PRO 91 -1.841 17.927 5.360 612 HB3 PRO 91 2HB PRO 91 -2.511 15.729 5.414 613 HG3 PRO 91 2HG PRO 91 -4.207 14.957 4.024 614 HD3 PRO 91 2HD PRO 91 -5.238 16.817 4.914 615 H ASP 92 H ASP 92 -1.219 19.894 4.099 616 HA ASP 92 HA ASP 92 0.724 19.272 2.173 617 HB3 ASP 92 2HB ASP 92 -1.857 20.406 1.085 618 H ARG 93 H ARG 93 2.088 20.990 1.792 619 HA ARG 93 HA ARG 93 1.339 23.529 3.085 620 HB3 ARG 93 2HB ARG 93 4.006 23.651 3.200 621 HG3 ARG 93 2HG ARG 93 2.884 21.872 5.277 622 HD3 ARG 93 2HD ARG 93 4.541 24.368 5.149 623 HE ARG 93 HE ARG 93 4.043 23.424 7.798 624 HH11 ARG 93 1HH1 ARG 93 2.849 25.519 5.287 625 HH12 ARG 93 2HH1 ARG 93 2.027 26.579 6.383 626 HH21 ARG 93 1HH2 ARG 93 2.964 24.812 9.250 627 HH22 ARG 93 2HH2 ARG 93 2.094 26.177 8.637 628 H GLN 94 H GLN 94 2.781 21.966 0.330 629 HA GLN 94 HA GLN 94 3.661 24.441 -0.877 630 HB3 GLN 94 2HB GLN 94 4.182 22.966 -2.838 631 HG3 GLN 94 2HG GLN 94 5.918 21.584 -1.738 632 HE21 GLN 94 1HE2 GLN 94 5.937 23.893 0.719 633 HE22 GLN 94 2HE2 GLN 94 6.928 25.075 -0.057 634 H ASP 95 H ASP 95 3.001 24.415 -3.430 635 HA ASP 95 HA ASP 95 0.057 24.536 -3.430 636 HB3 ASP 95 2HB ASP 95 0.290 26.303 -5.156 637 H HIS 96 H HIS 96 2.505 24.595 -6.009 638 HA HIS 96 HA HIS 96 1.584 22.049 -7.043 639 HB3 HIS 96 2HB HIS 96 1.515 24.294 -9.011 640 HD1 HIS 96 1HD HIS 96 -0.842 21.495 -7.957 641 HD2 HIS 96 2HD HIS 96 1.278 22.832 -11.270 642 HE1 HIS 96 1HE HIS 96 -1.484 19.949 -9.834 643 H HIS 97 H HIS 97 2.785 21.589 -9.198 644 HA HIS 97 HA HIS 97 5.358 22.900 -9.429 645 HB3 HIS 97 2HB HIS 97 5.392 19.930 -8.971 646 HD1 HIS 97 1HD HIS 97 7.367 23.161 -8.800 647 HD2 HIS 97 2HD HIS 97 7.973 19.059 -9.054 648 HE1 HIS 97 1HE HIS 97 9.841 22.867 -9.145 649 HA PRO 98 HA PRO 98 3.504 21.264 -13.373 650 HB3 PRO 98 2HB PRO 98 2.319 23.201 -13.727 651 HG3 PRO 98 2HG PRO 98 2.964 25.201 -12.731 652 HD3 PRO 98 2HD PRO 98 2.978 23.817 -10.887 653 H GLY 99 H GLY 99 4.507 21.677 -15.672 654 HA2 GLY 99 2HA GLY 99 7.022 22.522 -16.224 655 HA3 GLY 99 3HA GLY 99 7.298 20.972 -15.442 656 H SER 100 H SER 100 8.187 21.251 -17.959 657 HA SER 100 HA SER 100 6.759 19.206 -19.347 658 HB3 SER 100 2HB SER 100 5.434 21.306 -19.883 659 HG SER 100 HG SER 100 6.354 22.837 -21.113 660 H GLY 101 H GLY 101 7.958 18.293 -21.032 661 HA2 GLY 101 2HA GLY 101 10.272 19.475 -22.154 662 HA3 GLY 101 3HA GLY 101 10.733 18.427 -20.821 663 H ALA 102 H ALA 102 11.888 17.280 -22.565 664 HA ALA 102 HA ALA 102 10.380 14.998 -23.402 665 HB1 ALA 102 1HB ALA 102 10.101 15.338 -25.610 666 HB2 ALA 102 2HB ALA 102 10.161 17.041 -25.153 667 HB3 ALA 102 3HB ALA 102 11.607 16.242 -25.769 668 H GLN 103 H GLN 103 11.914 13.734 -25.106 669 HA GLN 103 HA GLN 103 14.273 13.147 -23.621 670 HB3 GLN 103 2HB GLN 103 14.704 11.751 -25.837 671 HG3 GLN 103 2HG GLN 103 12.995 10.048 -25.054 672 HE21 GLN 103 1HE2 GLN 103 13.281 9.265 -22.503 673 HE22 GLN 103 2HE2 GLN 103 14.952 9.160 -22.077 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -20.187 25.894 0.497 2 HA2 GLY 1 2HA GLY 1 -18.942 24.096 1.219 3 HA3 GLY 1 3HA GLY 1 -20.341 23.078 0.912 4 H SER 2 H SER 2 -17.601 24.678 -0.652 5 HA SER 2 HA SER 2 -17.397 22.401 -2.476 6 HB3 SER 2 2HB SER 2 -17.286 23.714 -4.446 7 HG SER 2 HG SER 2 -19.300 24.476 -4.510 8 H LEU 3 H LEU 3 -15.336 21.823 -2.953 9 HA LEU 3 HA LEU 3 -13.169 23.631 -2.135 10 HB3 LEU 3 2HB LEU 3 -13.127 22.225 -0.321 11 HG LEU 3 HG LEU 3 -13.295 19.721 -0.441 12 HD11 LEU 3 1HD1 LEU 3 -15.223 21.627 -0.107 13 HD12 LEU 3 2HD1 LEU 3 -15.429 19.902 0.195 14 HD13 LEU 3 3HD1 LEU 3 -15.930 20.592 -1.348 15 HD21 LEU 3 3HD2 LEU 3 -14.765 20.065 -3.014 16 HD22 LEU 3 1HD2 LEU 3 -14.031 18.619 -2.318 17 HD23 LEU 3 2HD2 LEU 3 -13.012 19.866 -3.039 18 H VAL 4 H VAL 4 -11.086 23.117 -3.108 19 HA VAL 4 HA VAL 4 -11.367 21.677 -5.667 20 HB VAL 4 HB VAL 4 -11.226 24.068 -6.086 21 HG11 VAL 4 1HG1 VAL 4 -9.932 25.467 -4.933 22 HG12 VAL 4 2HG1 VAL 4 -9.554 24.109 -3.873 23 HG13 VAL 4 3HG1 VAL 4 -8.493 24.491 -5.229 24 HG21 VAL 4 3HG2 VAL 4 -8.711 22.552 -6.771 25 HG22 VAL 4 1HG2 VAL 4 -10.192 22.654 -7.724 26 HG23 VAL 4 2HG2 VAL 4 -9.182 24.084 -7.509 27 HA PRO 5 HA PRO 5 -8.027 19.189 -4.177 28 HB3 PRO 5 2HB PRO 5 -8.853 17.546 -5.553 29 HG3 PRO 5 2HG PRO 5 -9.882 18.076 -7.570 30 HD3 PRO 5 2HD PRO 5 -11.018 19.501 -6.158 31 H ARG 6 H ARG 6 -5.728 18.751 -4.704 32 HA ARG 6 HA ARG 6 -4.374 20.507 -6.533 33 HB3 ARG 6 2HB ARG 6 -4.627 22.139 -4.832 34 HG3 ARG 6 2HG ARG 6 -3.511 20.240 -2.787 35 HD3 ARG 6 2HD ARG 6 -4.628 22.005 -1.291 36 HE ARG 6 HE ARG 6 -2.066 22.194 -2.571 37 HH11 ARG 6 1HH1 ARG 6 -4.249 23.707 -0.321 38 HH12 ARG 6 2HH1 ARG 6 -2.996 24.543 0.535 39 HH21 ARG 6 1HH2 ARG 6 -0.407 23.290 -1.453 40 HH22 ARG 6 2HH2 ARG 6 -0.810 24.306 -0.110 41 H GLY 7 H GLY 7 -2.301 19.831 -6.987 42 HA2 GLY 7 2HA GLY 7 -0.501 18.413 -5.561 43 HA3 GLY 7 3HA GLY 7 -1.636 17.169 -6.065 44 H SER 8 H SER 8 0.937 16.936 -6.850 45 HA SER 8 HA SER 8 0.956 17.838 -9.652 46 HB3 SER 8 2HB SER 8 3.406 17.402 -9.576 47 HG SER 8 HG SER 8 2.949 19.027 -7.363 48 H MET 9 H MET 9 0.902 15.089 -7.564 49 HA MET 9 HA MET 9 1.272 13.293 -9.867 50 HB3 MET 9 2HB MET 9 2.342 11.832 -8.528 51 HG3 MET 9 2HG MET 9 3.333 12.738 -6.445 52 HE1 MET 9 3HE MET 9 5.656 15.666 -7.360 53 HE2 MET 9 1HE MET 9 4.791 14.811 -6.083 54 HE3 MET 9 2HE MET 9 6.104 14.011 -6.945 55 H GLN 10 H GLN 10 -0.370 12.049 -10.546 56 HA GLN 10 HA GLN 10 -2.752 11.823 -8.836 57 HB3 GLN 10 2HB GLN 10 -4.188 12.138 -10.793 58 HG3 GLN 10 2HG GLN 10 -2.291 14.280 -10.028 59 HE21 GLN 10 1HE2 GLN 10 -4.326 16.244 -10.755 60 HE22 GLN 10 2HE2 GLN 10 -4.102 16.562 -12.438 61 H ILE 11 H ILE 11 -3.823 9.886 -8.899 62 HA ILE 11 HA ILE 11 -3.047 7.875 -10.857 63 HB ILE 11 HB ILE 11 -1.578 7.835 -8.652 64 HG13 ILE 11 2HG1 ILE 11 -2.092 6.090 -10.698 65 HG21 ILE 11 1HG2 ILE 11 -3.845 7.645 -7.365 66 HG22 ILE 11 2HG2 ILE 11 -3.707 5.937 -7.780 67 HG23 ILE 11 3HG2 ILE 11 -2.442 6.720 -6.834 68 HD11 ILE 11 3HD1 ILE 11 0.125 6.306 -10.042 69 HD12 ILE 11 1HD1 ILE 11 -0.226 5.860 -8.372 70 HD13 ILE 11 2HD1 ILE 11 -0.275 4.636 -9.641 71 H PHE 12 H PHE 12 -4.292 5.748 -10.315 72 HA PHE 12 HA PHE 12 -7.060 6.531 -9.713 73 HB3 PHE 12 2HB PHE 12 -7.079 3.981 -10.875 74 HD1 PHE 12 2HD PHE 12 -6.777 7.508 -12.066 75 HD2 PHE 12 1HD PHE 12 -9.074 3.925 -11.992 76 HE1 PHE 12 2HE PHE 12 -8.538 8.614 -13.381 77 HE2 PHE 12 1HE PHE 12 -10.839 5.025 -13.307 78 HZ PHE 12 HZ PHE 12 -10.572 7.372 -14.004 79 H VAL 13 H VAL 13 -7.931 5.854 -7.877 80 HA VAL 13 HA VAL 13 -7.002 3.324 -6.704 81 HB VAL 13 HB VAL 13 -7.480 5.869 -5.148 82 HG11 VAL 13 1HG1 VAL 13 -6.173 3.918 -3.596 83 HG12 VAL 13 2HG1 VAL 13 -7.804 4.557 -3.385 84 HG13 VAL 13 3HG1 VAL 13 -7.541 3.116 -4.369 85 HG21 VAL 13 3HG2 VAL 13 -4.929 5.101 -4.607 86 HG22 VAL 13 1HG2 VAL 13 -5.077 4.645 -6.304 87 HG23 VAL 13 2HG2 VAL 13 -5.377 6.311 -5.808 88 H LYS 14 H LYS 14 -8.573 2.035 -5.920 89 HA LYS 14 HA LYS 14 -11.306 3.135 -5.823 90 HB3 LYS 14 2HB LYS 14 -12.105 0.891 -6.498 91 HG3 LYS 14 2HG LYS 14 -10.984 0.841 -8.829 92 HD3 LYS 14 2HD LYS 14 -12.521 3.211 -7.773 93 HE3 LYS 14 2HE LYS 14 -12.004 2.370 -10.624 94 HZ1 LYS 14 3HZ LYS 14 -14.075 3.997 -9.426 95 HZ2 LYS 14 1HZ LYS 14 -14.045 3.209 -10.922 96 HZ3 LYS 14 2HZ LYS 14 -13.287 4.711 -10.741 97 H THR 15 H THR 15 -12.633 2.518 -4.142 98 HA THR 15 HA THR 15 -11.253 1.308 -1.858 99 HB THR 15 HB THR 15 -12.821 2.347 -0.438 100 HG1 THR 15 1HG THR 15 -14.835 2.532 -1.036 101 HG21 THR 15 3HG2 THR 15 -12.398 4.570 -0.817 102 HG22 THR 15 1HG2 THR 15 -12.764 4.460 -2.537 103 HG23 THR 15 2HG2 THR 15 -11.229 3.846 -1.921 104 H LEU 16 H LEU 16 -13.133 0.268 -0.329 105 HA LEU 16 HA LEU 16 -13.793 -2.177 -1.623 106 HB3 LEU 16 2HB LEU 16 -14.582 -2.910 0.459 107 HG LEU 16 HG LEU 16 -12.535 -0.810 1.172 108 HD11 LEU 16 1HD1 LEU 16 -13.801 -1.620 3.111 109 HD12 LEU 16 2HD1 LEU 16 -12.122 -2.156 3.147 110 HD13 LEU 16 3HD1 LEU 16 -13.396 -3.280 2.673 111 HD21 LEU 16 3HD2 LEU 16 -12.352 -3.608 0.130 112 HD22 LEU 16 1HD2 LEU 16 -11.088 -2.964 1.178 113 HD23 LEU 16 2HD2 LEU 16 -11.452 -2.169 -0.354 114 H THR 17 H THR 17 -15.556 0.746 -0.864 115 HA THR 17 HA THR 17 -18.115 -0.417 -1.578 116 HB THR 17 HB THR 17 -17.669 1.450 0.193 117 HG1 THR 17 1HG THR 17 -19.798 1.453 -1.696 118 HG21 THR 17 3HG2 THR 17 -18.286 3.302 -2.061 119 HG22 THR 17 1HG2 THR 17 -16.607 2.846 -1.778 120 HG23 THR 17 2HG2 THR 17 -17.534 3.636 -0.503 121 H GLY 18 H GLY 18 -15.571 1.380 -3.082 122 HA2 GLY 18 2HA GLY 18 -15.538 1.207 -5.546 123 HA3 GLY 18 3HA GLY 18 -17.242 1.636 -5.507 124 H LYS 19 H LYS 19 -15.409 3.318 -3.213 125 HA LYS 19 HA LYS 19 -15.869 5.816 -4.515 126 HB3 LYS 19 2HB LYS 19 -14.172 6.468 -2.516 127 HG3 LYS 19 2HG LYS 19 -16.135 6.565 -0.981 128 HD3 LYS 19 2HD LYS 19 -16.055 7.722 -3.709 129 HE3 LYS 19 2HE LYS 19 -18.143 9.076 -2.937 130 HZ1 LYS 19 3HZ LYS 19 -19.515 7.732 -4.263 131 HZ2 LYS 19 1HZ LYS 19 -18.644 6.325 -3.910 132 HZ3 LYS 19 2HZ LYS 19 -17.959 7.520 -4.891 133 H THR 20 H THR 20 -14.323 7.327 -5.244 134 HA THR 20 HA THR 20 -11.767 6.113 -6.072 135 HB THR 20 HB THR 20 -12.107 8.266 -7.752 136 HG1 THR 20 1HG THR 20 -14.212 8.317 -8.386 137 HG21 THR 20 3HG2 THR 20 -12.945 5.401 -8.217 138 HG22 THR 20 1HG2 THR 20 -11.313 6.044 -8.390 139 HG23 THR 20 2HG2 THR 20 -12.594 6.586 -9.475 140 H ILE 21 H ILE 21 -9.951 7.047 -5.386 141 HA ILE 21 HA ILE 21 -10.047 9.844 -4.483 142 HB ILE 21 HB ILE 21 -8.279 9.003 -2.729 143 HG13 ILE 21 2HG1 ILE 21 -8.386 6.799 -2.059 144 HG21 ILE 21 1HG2 ILE 21 -11.266 8.735 -2.474 145 HG22 ILE 21 2HG2 ILE 21 -10.160 8.648 -1.104 146 HG23 ILE 21 3HG2 ILE 21 -10.265 10.127 -2.061 147 HD11 ILE 21 3HD1 ILE 21 -10.555 6.294 -1.539 148 HD12 ILE 21 1HD1 ILE 21 -11.171 6.821 -3.105 149 HD13 ILE 21 2HD1 ILE 21 -10.308 5.288 -2.966 150 H THR 22 H THR 22 -8.349 11.077 -5.072 151 HA THR 22 HA THR 22 -6.463 9.974 -6.948 152 HB THR 22 HB THR 22 -6.014 12.728 -5.983 153 HG1 THR 22 1HG THR 22 -8.097 13.157 -6.017 154 HG21 THR 22 3HG2 THR 22 -5.432 13.120 -8.159 155 HG22 THR 22 1HG2 THR 22 -6.650 12.017 -8.799 156 HG23 THR 22 2HG2 THR 22 -5.159 11.379 -8.106 157 H LEU 23 H LEU 23 -4.574 9.108 -6.427 158 HA LEU 23 HA LEU 23 -3.294 9.933 -3.905 159 HB3 LEU 23 2HB LEU 23 -2.231 7.467 -4.812 160 HG LEU 23 HG LEU 23 -3.337 8.472 -2.378 161 HD11 LEU 23 1HD1 LEU 23 -4.146 5.627 -2.834 162 HD12 LEU 23 2HD1 LEU 23 -5.246 6.951 -3.211 163 HD13 LEU 23 3HD1 LEU 23 -4.651 6.743 -1.565 164 HD21 LEU 23 3HD2 LEU 23 -1.100 7.251 -3.087 165 HD22 LEU 23 1HD2 LEU 23 -1.998 5.826 -2.564 166 HD23 LEU 23 2HD2 LEU 23 -1.726 7.158 -1.440 167 H GLU 24 H GLU 24 -0.938 9.869 -3.877 168 HA GLU 24 HA GLU 24 0.161 10.668 -6.480 169 HB3 GLU 24 2HB GLU 24 0.278 12.334 -4.658 170 HG3 GLU 24 2HG GLU 24 2.103 10.344 -3.328 171 H VAL 25 H VAL 25 2.227 9.929 -7.137 172 HA VAL 25 HA VAL 25 3.397 7.698 -5.667 173 HB VAL 25 HB VAL 25 3.556 6.454 -7.938 174 HG11 VAL 25 1HG1 VAL 25 2.245 5.822 -5.856 175 HG12 VAL 25 2HG1 VAL 25 0.835 6.516 -6.661 176 HG13 VAL 25 3HG1 VAL 25 1.679 5.144 -7.381 177 HG21 VAL 25 3HG2 VAL 25 1.962 6.892 -9.575 178 HG22 VAL 25 1HG2 VAL 25 0.967 7.857 -8.487 179 HG23 VAL 25 2HG2 VAL 25 2.491 8.503 -9.092 180 H GLU 26 H GLU 26 5.568 7.358 -6.091 181 HA GLU 26 HA GLU 26 6.907 8.703 -8.251 182 HB3 GLU 26 2HB GLU 26 8.364 9.671 -6.064 183 HG3 GLU 26 2HG GLU 26 6.574 11.669 -7.116 184 HA PRO 27 HA PRO 27 9.821 5.477 -7.656 185 HB3 PRO 27 2HB PRO 27 10.815 6.165 -9.611 186 HG3 PRO 27 2HG PRO 27 10.980 8.422 -10.142 187 HD3 PRO 27 2HD PRO 27 8.741 8.303 -9.610 188 H SER 28 H SER 28 10.357 8.548 -6.113 189 HA SER 28 HA SER 28 12.258 7.299 -4.246 190 HB3 SER 28 2HB SER 28 13.206 9.248 -5.318 191 HG SER 28 HG SER 28 12.036 11.319 -4.743 192 H ASP 29 H ASP 29 9.100 7.711 -4.472 193 HA ASP 29 HA ASP 29 8.762 8.439 -1.636 194 HB3 ASP 29 2HB ASP 29 7.504 9.509 -3.926 195 H THR 30 H THR 30 7.191 7.271 -0.420 196 HA THR 30 HA THR 30 6.453 4.662 -1.568 197 HB THR 30 HB THR 30 8.392 4.417 -0.038 198 HG1 THR 30 1HG THR 30 7.553 2.576 0.636 199 HG21 THR 30 3HG2 THR 30 6.839 6.172 1.594 200 HG22 THR 30 1HG2 THR 30 8.477 5.578 1.860 201 HG23 THR 30 2HG2 THR 30 7.097 4.662 2.466 202 H ILE 31 H ILE 31 4.836 3.532 0.014 203 HA ILE 31 HA ILE 31 2.449 4.919 -0.015 204 HB ILE 31 HB ILE 31 3.153 2.715 1.925 205 HG13 ILE 31 2HG1 ILE 31 2.104 1.253 0.132 206 HG21 ILE 31 1HG2 ILE 31 0.587 2.296 1.334 207 HG22 ILE 31 2HG2 ILE 31 1.099 3.339 2.660 208 HG23 ILE 31 3HG2 ILE 31 0.636 4.044 1.112 209 HD11 ILE 31 3HD1 ILE 31 2.905 3.319 -1.849 210 HD12 ILE 31 1HD1 ILE 31 1.821 1.939 -2.029 211 HD13 ILE 31 2HD1 ILE 31 1.285 3.374 -1.154 212 H GLU 32 H GLU 32 5.027 5.108 2.259 213 HA GLU 32 HA GLU 32 3.574 6.065 4.495 214 HB3 GLU 32 2HB GLU 32 6.448 6.698 3.832 215 HG3 GLU 32 2HG GLU 32 5.009 6.359 6.453 216 H ASN 33 H ASN 33 5.092 7.644 1.735 217 HA ASN 33 HA ASN 33 4.575 10.296 2.730 218 HB3 ASN 33 2HB ASN 33 5.153 10.759 0.164 219 HD21 ASN 33 1HD2 ASN 33 7.921 9.527 0.199 220 HD22 ASN 33 2HD2 ASN 33 8.781 10.471 1.362 221 H VAL 34 H VAL 34 3.274 8.279 0.101 222 HA VAL 34 HA VAL 34 1.386 10.010 -0.922 223 HB VAL 34 HB VAL 34 0.267 8.149 -1.850 224 HG11 VAL 34 1HG1 VAL 34 2.018 6.892 -2.839 225 HG12 VAL 34 2HG1 VAL 34 2.675 8.496 -2.513 226 HG13 VAL 34 3HG1 VAL 34 3.076 7.146 -1.451 227 HG21 VAL 34 3HG2 VAL 34 0.628 5.830 -0.984 228 HG22 VAL 34 1HG2 VAL 34 1.445 6.541 0.408 229 HG23 VAL 34 2HG2 VAL 34 -0.258 6.890 0.112 230 H LYS 35 H LYS 35 1.331 8.228 2.065 231 HA LYS 35 HA LYS 35 -1.348 8.136 2.689 232 HB3 LYS 35 2HB LYS 35 0.798 7.414 4.029 233 HG3 LYS 35 2HG LYS 35 0.070 9.953 5.474 234 HD3 LYS 35 2HD LYS 35 1.904 7.652 6.022 235 HE3 LYS 35 2HE LYS 35 2.985 10.099 6.015 236 HZ1 LYS 35 3HZ LYS 35 1.261 10.829 7.683 237 HZ2 LYS 35 1HZ LYS 35 2.871 11.127 8.105 238 HZ3 LYS 35 2HZ LYS 35 2.039 9.834 8.807 239 H ALA 36 H ALA 36 0.756 10.900 2.552 240 HA ALA 36 HA ALA 36 -0.969 12.663 4.013 241 HB1 ALA 36 1HB ALA 36 0.627 14.300 2.512 242 HB2 ALA 36 2HB ALA 36 1.033 13.657 4.104 243 HB3 ALA 36 3HB ALA 36 1.609 12.841 2.650 244 H LYS 37 H LYS 37 -0.459 11.869 0.622 245 HA LYS 37 HA LYS 37 -2.117 13.950 -0.405 246 HB3 LYS 37 2HB LYS 37 -1.865 11.561 -2.079 247 HG3 LYS 37 2HG LYS 37 -2.268 14.061 -2.715 248 HD3 LYS 37 2HD LYS 37 0.369 14.483 -3.566 249 HE3 LYS 37 2HE LYS 37 0.208 16.404 -1.885 250 HZ1 LYS 37 3HZ LYS 37 -1.052 16.006 -4.313 251 HZ2 LYS 37 1HZ LYS 37 -0.703 17.485 -3.570 252 HZ3 LYS 37 2HZ LYS 37 -2.204 16.747 -3.319 253 H ILE 38 H ILE 38 -2.605 10.455 0.062 254 HA ILE 38 HA ILE 38 -5.268 10.379 -0.823 255 HB ILE 38 HB ILE 38 -3.988 8.338 -0.589 256 HG13 ILE 38 2HG1 ILE 38 -6.273 8.314 1.394 257 HG21 ILE 38 1HG2 ILE 38 -3.250 7.447 1.481 258 HG22 ILE 38 2HG2 ILE 38 -2.730 9.131 1.440 259 HG23 ILE 38 3HG2 ILE 38 -4.136 8.666 2.397 260 HD11 ILE 38 3HD1 ILE 38 -7.737 7.770 -0.453 261 HD12 ILE 38 1HD1 ILE 38 -7.006 9.356 -0.691 262 HD13 ILE 38 2HD1 ILE 38 -6.404 7.963 -1.591 263 H GLN 39 H GLN 39 -3.897 10.827 2.414 264 HA GLN 39 HA GLN 39 -6.238 10.783 3.903 265 HB3 GLN 39 2HB GLN 39 -3.780 12.484 4.350 266 HG3 GLN 39 2HG GLN 39 -5.930 12.957 5.729 267 HE21 GLN 39 1HE2 GLN 39 -6.861 12.463 7.790 268 HE22 GLN 39 2HE2 GLN 39 -6.972 10.821 8.318 269 H ASP 40 H ASP 40 -4.951 13.265 1.829 270 HA ASP 40 HA ASP 40 -6.639 15.366 2.795 271 HB3 ASP 40 2HB ASP 40 -4.842 15.024 0.417 272 H LYS 41 H LYS 41 -6.946 12.810 0.476 273 HA LYS 41 HA LYS 41 -9.146 13.948 -0.962 274 HB3 LYS 41 2HB LYS 41 -9.278 11.860 -2.104 275 HG3 LYS 41 2HG LYS 41 -6.945 11.289 -2.672 276 HD3 LYS 41 2HD LYS 41 -7.994 14.059 -2.650 277 HE3 LYS 41 2HE LYS 41 -5.148 13.364 -3.360 278 HZ1 LYS 41 3HZ LYS 41 -6.083 14.740 -5.088 279 HZ2 LYS 41 1HZ LYS 41 -5.013 15.659 -4.152 280 HZ3 LYS 41 2HZ LYS 41 -6.683 15.837 -3.949 281 H GLU 42 H GLU 42 -8.901 11.254 1.365 282 HA GLU 42 HA GLU 42 -11.686 11.809 2.142 283 HB3 GLU 42 2HB GLU 42 -11.521 9.743 0.785 284 HG3 GLU 42 2HG GLU 42 -10.037 8.513 3.082 285 H GLY 43 H GLY 43 -8.494 10.689 3.101 286 HA2 GLY 43 2HA GLY 43 -7.536 11.345 5.190 287 HA3 GLY 43 3HA GLY 43 -9.155 11.424 5.870 288 H ILE 44 H ILE 44 -8.018 8.749 3.917 289 HA ILE 44 HA ILE 44 -8.748 6.851 5.902 290 HB ILE 44 HB ILE 44 -8.795 6.419 3.437 291 HG13 ILE 44 2HG1 ILE 44 -7.451 4.592 5.397 292 HG21 ILE 44 1HG2 ILE 44 -5.966 5.621 3.410 293 HG22 ILE 44 2HG2 ILE 44 -6.952 6.355 2.148 294 HG23 ILE 44 3HG2 ILE 44 -6.260 7.360 3.421 295 HD11 ILE 44 3HD1 ILE 44 -10.115 5.109 4.687 296 HD12 ILE 44 1HD1 ILE 44 -9.728 3.505 4.066 297 HD13 ILE 44 2HD1 ILE 44 -9.500 3.867 5.777 298 HA PRO 45 HA PRO 45 -5.004 6.876 8.268 299 HB3 PRO 45 2HB PRO 45 -6.306 6.180 10.029 300 HG3 PRO 45 2HG PRO 45 -8.166 4.828 9.684 301 HD3 PRO 45 2HD PRO 45 -8.581 6.477 8.129 302 HA PRO 46 HA PRO 46 -2.653 4.111 5.621 303 HB3 PRO 46 2HB PRO 46 -1.252 5.890 5.236 304 HG3 PRO 46 2HG PRO 46 -0.970 7.563 6.827 305 HD3 PRO 46 2HD PRO 46 -3.273 7.476 6.744 306 H ASP 47 H ASP 47 -2.551 4.463 9.064 307 HA ASP 47 HA ASP 47 -0.629 2.491 9.675 308 HB3 ASP 47 2HB ASP 47 -1.553 4.219 11.261 309 H GLN 48 H GLN 48 -4.091 2.334 9.063 310 HA GLN 48 HA GLN 48 -3.988 -0.588 9.382 311 HB3 GLN 48 2HB GLN 48 -6.552 0.924 9.087 312 HG3 GLN 48 2HG GLN 48 -6.231 -1.664 9.351 313 HE21 GLN 48 1HE2 GLN 48 -5.170 -3.034 10.571 314 HE22 GLN 48 2HE2 GLN 48 -4.971 -2.940 12.284 315 H GLN 49 H GLN 49 -4.491 1.985 7.129 316 HA GLN 49 HA GLN 49 -5.971 0.904 5.115 317 HB3 GLN 49 2HB GLN 49 -3.422 2.506 4.843 318 HG3 GLN 49 2HG GLN 49 -5.653 2.419 2.844 319 HE21 GLN 49 1HE2 GLN 49 -2.114 2.635 3.039 320 HE22 GLN 49 2HE2 GLN 49 -1.980 4.080 2.102 321 H ARG 50 H ARG 50 -5.771 -0.650 3.601 322 HA ARG 50 HA ARG 50 -3.397 -2.359 3.764 323 HB3 ARG 50 2HB ARG 50 -4.712 -4.135 3.009 324 HG3 ARG 50 2HG ARG 50 -6.642 -2.370 4.501 325 HD3 ARG 50 2HD ARG 50 -7.579 -4.382 3.223 326 HE ARG 50 HE ARG 50 -6.564 -6.084 5.353 327 HH11 ARG 50 1HH1 ARG 50 -6.450 -5.149 2.002 328 HH12 ARG 50 2HH1 ARG 50 -5.677 -6.611 1.486 329 HH21 ARG 50 1HH2 ARG 50 -5.547 -8.014 4.687 330 HH22 ARG 50 2HH2 ARG 50 -5.164 -8.240 3.013 331 H LEU 51 H LEU 51 -2.310 -3.072 1.896 332 HA LEU 51 HA LEU 51 -2.586 -1.245 -0.389 333 HB3 LEU 51 2HB LEU 51 -0.232 -3.022 0.165 334 HG LEU 51 HG LEU 51 1.066 -1.170 -0.893 335 HD11 LEU 51 1HD1 LEU 51 0.835 -2.065 -2.981 336 HD12 LEU 51 2HD1 LEU 51 -0.926 -2.081 -2.903 337 HD13 LEU 51 3HD1 LEU 51 0.006 -3.298 -2.030 338 HD21 LEU 51 3HD2 LEU 51 -1.456 -0.173 -2.117 339 HD22 LEU 51 1HD2 LEU 51 0.090 0.644 -1.883 340 HD23 LEU 51 2HD2 LEU 51 -1.003 0.415 -0.517 341 H ILE 52 H ILE 52 -3.197 -1.988 -2.319 342 HA ILE 52 HA ILE 52 -3.038 -4.877 -2.838 343 HB ILE 52 HB ILE 52 -5.436 -3.102 -3.265 344 HG13 ILE 52 2HG1 ILE 52 -4.850 -5.566 -1.640 345 HG21 ILE 52 1HG2 ILE 52 -6.335 -5.396 -4.213 346 HG22 ILE 52 2HG2 ILE 52 -5.520 -4.226 -5.248 347 HG23 ILE 52 3HG2 ILE 52 -4.636 -5.619 -4.627 348 HD11 ILE 52 3HD1 ILE 52 -5.249 -2.835 -1.014 349 HD12 ILE 52 1HD1 ILE 52 -6.617 -3.749 -0.382 350 HD13 ILE 52 2HD1 ILE 52 -4.973 -4.190 0.080 351 H PHE 53 H PHE 53 -1.842 -5.208 -4.581 352 HA PHE 53 HA PHE 53 -2.025 -3.282 -6.803 353 HB3 PHE 53 2HB PHE 53 0.416 -4.610 -5.637 354 HD1 PHE 53 2HD PHE 53 -0.833 -2.828 -8.646 355 HD2 PHE 53 1HD PHE 53 2.349 -5.013 -6.855 356 HE1 PHE 53 2HE PHE 53 0.332 -2.899 -10.812 357 HE2 PHE 53 1HE PHE 53 3.521 -5.086 -9.018 358 HZ PHE 53 HZ PHE 53 2.512 -4.030 -10.999 359 H ALA 54 H ALA 54 -2.611 -4.140 -8.682 360 HA ALA 54 HA ALA 54 -3.209 -5.667 -10.263 361 HB1 ALA 54 1HB ALA 54 -1.167 -7.645 -9.570 362 HB2 ALA 54 2HB ALA 54 -1.451 -6.786 -11.085 363 HB3 ALA 54 3HB ALA 54 -0.545 -6.009 -9.787 364 H GLY 55 H GLY 55 -4.367 -5.918 -7.589 365 HA2 GLY 55 2HA GLY 55 -6.056 -7.342 -6.828 366 HA3 GLY 55 3HA GLY 55 -5.467 -8.585 -7.922 367 H LYS 56 H LYS 56 -2.705 -7.807 -6.644 368 HA LYS 56 HA LYS 56 -2.938 -9.782 -4.492 369 HB3 LYS 56 2HB LYS 56 -0.324 -8.705 -5.483 370 HG3 LYS 56 2HG LYS 56 -1.261 -11.352 -4.418 371 HD3 LYS 56 2HD LYS 56 0.222 -11.722 -6.360 372 HE3 LYS 56 2HE LYS 56 1.508 -9.688 -6.358 373 HZ1 LYS 56 3HZ LYS 56 2.015 -10.406 -3.606 374 HZ2 LYS 56 1HZ LYS 56 1.995 -8.884 -4.342 375 HZ3 LYS 56 2HZ LYS 56 3.376 -9.854 -4.443 376 H GLN 57 H GLN 57 -2.885 -9.183 -2.432 377 HA GLN 57 HA GLN 57 -2.449 -6.427 -1.729 378 HB3 GLN 57 2HB GLN 57 -4.147 -8.081 -0.698 379 HG3 GLN 57 2HG GLN 57 -3.427 -9.199 1.323 380 HE21 GLN 57 1HE2 GLN 57 -4.364 -10.182 -0.897 381 HE22 GLN 57 2HE2 GLN 57 -3.414 -11.494 -1.497 382 H LEU 58 H LEU 58 -0.941 -5.707 -0.105 383 HA LEU 58 HA LEU 58 1.405 -7.423 0.273 384 HB3 LEU 58 2HB LEU 58 2.889 -5.520 -0.239 385 HG LEU 58 HG LEU 58 1.958 -7.158 -2.115 386 HD11 LEU 58 1HD1 LEU 58 1.272 -4.556 -3.390 387 HD12 LEU 58 2HD1 LEU 58 0.055 -5.383 -2.420 388 HD13 LEU 58 3HD1 LEU 58 0.766 -6.190 -3.816 389 HD21 LEU 58 3HD2 LEU 58 3.328 -4.944 -3.399 390 HD22 LEU 58 1HD2 LEU 58 3.865 -6.601 -3.123 391 HD23 LEU 58 2HD2 LEU 58 4.061 -5.388 -1.856 392 H GLU 59 H GLU 59 3.053 -5.864 1.659 393 HA GLU 59 HA GLU 59 1.540 -4.516 3.762 394 HB3 GLU 59 2HB GLU 59 2.540 -5.801 5.542 395 HG3 GLU 59 2HG GLU 59 1.500 -7.725 3.474 396 H ASP 60 H ASP 60 4.759 -5.551 2.667 397 HA ASP 60 HA ASP 60 6.333 -3.791 4.091 398 HB3 ASP 60 2HB ASP 60 7.391 -3.961 1.444 399 H GLY 61 H GLY 61 7.347 -1.778 3.506 400 HA2 GLY 61 2HA GLY 61 5.726 -0.147 1.653 401 HA3 GLY 61 3HA GLY 61 6.188 0.450 3.239 402 H ARG 62 H ARG 62 7.265 -0.257 0.007 403 HA ARG 62 HA ARG 62 9.708 1.291 0.548 404 HB3 ARG 62 2HB ARG 62 10.371 -0.378 -1.565 405 HG3 ARG 62 2HG ARG 62 11.072 -0.273 1.306 406 HD3 ARG 62 2HD ARG 62 10.782 -2.711 0.739 407 HE ARG 62 HE ARG 62 12.163 -2.144 -1.565 408 HH11 ARG 62 1HH1 ARG 62 12.552 -4.323 1.123 409 HH12 ARG 62 2HH1 ARG 62 13.366 -5.535 0.191 410 HH21 ARG 62 1HH2 ARG 62 13.233 -3.733 -2.803 411 HH22 ARG 62 2HH2 ARG 62 13.753 -5.199 -2.042 412 H THR 63 H THR 63 10.709 2.077 -1.569 413 HA THR 63 HA THR 63 8.688 3.532 -2.998 414 HB THR 63 HB THR 63 10.438 4.738 -4.029 415 HG1 THR 63 1HG THR 63 12.479 3.946 -4.287 416 HG21 THR 63 3HG2 THR 63 11.937 5.332 -2.169 417 HG22 THR 63 1HG2 THR 63 11.403 3.899 -1.291 418 HG23 THR 63 2HG2 THR 63 10.260 5.195 -1.642 419 H LEU 64 H LEU 64 8.946 3.714 -5.466 420 HA LEU 64 HA LEU 64 8.383 1.147 -6.576 421 HB3 LEU 64 2HB LEU 64 8.206 2.405 -8.720 422 HG LEU 64 HG LEU 64 6.597 3.084 -6.356 423 HD11 LEU 64 1HD1 LEU 64 7.303 5.168 -8.147 424 HD12 LEU 64 2HD1 LEU 64 6.141 5.200 -6.822 425 HD13 LEU 64 3HD1 LEU 64 5.618 4.737 -8.441 426 HD21 LEU 64 3HD2 LEU 64 5.966 2.406 -9.228 427 HD22 LEU 64 1HD2 LEU 64 4.778 2.577 -7.936 428 HD23 LEU 64 2HD2 LEU 64 5.981 1.289 -7.863 429 H SER 65 H SER 65 11.086 3.411 -6.805 430 HA SER 65 HA SER 65 12.526 1.878 -8.735 431 HB3 SER 65 2HB SER 65 13.774 3.871 -6.851 432 HG SER 65 HG SER 65 14.444 4.112 -9.420 433 H GLU 66 H GLU 66 12.431 2.013 -5.235 434 HA GLU 66 HA GLU 66 14.775 0.420 -4.837 435 HB3 GLU 66 2HB GLU 66 13.810 0.208 -2.480 436 HG3 GLU 66 2HG GLU 66 14.177 2.985 -3.580 437 H TYR 67 H TYR 67 11.296 -0.205 -4.899 438 HA TYR 67 HA TYR 67 11.726 -3.043 -4.418 439 HB3 TYR 67 2HB TYR 67 9.013 -2.219 -5.141 440 HD1 TYR 67 2HD TYR 67 10.366 -4.856 -4.651 441 HD2 TYR 67 1HD TYR 67 8.401 -2.178 -1.994 442 HE1 TYR 67 2HE TYR 67 9.838 -6.737 -3.157 443 HE2 TYR 67 1HE TYR 67 7.868 -4.050 -0.491 444 HH TYR 67 HH TYR 67 8.217 -6.216 -0.052 445 H ASN 68 H ASN 68 11.825 -1.022 -7.033 446 HA ASN 68 HA ASN 68 11.641 -1.274 -9.292 447 HB3 ASN 68 2HB ASN 68 12.094 -4.215 -8.958 448 HD21 ASN 68 1HD2 ASN 68 12.847 -5.086 -10.768 449 HD22 ASN 68 2HD2 ASN 68 13.367 -4.205 -12.161 450 H ILE 69 H ILE 69 9.188 -1.571 -7.758 451 HA ILE 69 HA ILE 69 7.686 -3.611 -9.203 452 HB ILE 69 HB ILE 69 5.776 -2.872 -7.780 453 HG13 ILE 69 2HG1 ILE 69 6.611 -0.541 -7.443 454 HG21 ILE 69 1HG2 ILE 69 7.388 -3.435 -5.585 455 HG22 ILE 69 2HG2 ILE 69 6.527 -4.595 -6.594 456 HG23 ILE 69 3HG2 ILE 69 8.206 -4.190 -6.952 457 HD11 ILE 69 3HD1 ILE 69 6.380 -1.673 -4.705 458 HD12 ILE 69 1HD1 ILE 69 5.664 -0.215 -5.391 459 HD13 ILE 69 2HD1 ILE 69 5.008 -1.799 -5.805 460 H GLN 70 H GLN 70 5.627 -3.044 -10.227 461 HA GLN 70 HA GLN 70 5.882 -0.533 -11.713 462 HB3 GLN 70 2HB GLN 70 4.059 -1.662 -13.154 463 HG3 GLN 70 2HG GLN 70 5.648 -3.080 -14.351 464 HE21 GLN 70 1HE2 GLN 70 4.836 -0.834 -15.107 465 HE22 GLN 70 2HE2 GLN 70 6.075 0.341 -15.365 466 H LYS 71 H LYS 71 4.874 -0.592 -8.993 467 HA LYS 71 HA LYS 71 2.071 -0.462 -8.879 468 HB3 LYS 71 2HB LYS 71 4.320 0.450 -7.174 469 HG3 LYS 71 2HG LYS 71 1.535 1.545 -6.899 470 HD3 LYS 71 2HD LYS 71 3.396 0.699 -4.844 471 HE3 LYS 71 2HE LYS 71 3.899 3.231 -5.222 472 HZ1 LYS 71 3HZ LYS 71 1.627 3.999 -5.253 473 HZ2 LYS 71 1HZ LYS 71 2.417 4.635 -3.899 474 HZ3 LYS 71 2HZ LYS 71 1.340 3.344 -3.720 475 H GLU 72 H GLU 72 4.348 1.660 -10.267 476 HA GLU 72 HA GLU 72 2.841 4.078 -10.007 477 HB3 GLU 72 2HB GLU 72 5.211 4.251 -10.332 478 HG3 GLU 72 2HG GLU 72 4.734 2.525 -12.710 479 H SER 73 H SER 73 0.869 2.663 -10.731 480 HA SER 73 HA SER 73 0.180 3.564 -13.373 481 HB3 SER 73 2HB SER 73 0.697 0.665 -12.812 482 HG SER 73 HG SER 73 -0.747 0.054 -14.347 483 H THR 74 H THR 74 -1.068 0.804 -11.532 484 HA THR 74 HA THR 74 -3.421 2.398 -10.794 485 HB THR 74 HB THR 74 -3.950 -0.420 -11.533 486 HG1 THR 74 1HG THR 74 -3.697 1.562 -13.560 487 HG21 THR 74 3HG2 THR 74 -5.400 1.984 -11.068 488 HG22 THR 74 1HG2 THR 74 -6.029 0.367 -11.384 489 HG23 THR 74 2HG2 THR 74 -5.711 1.466 -12.725 490 H LEU 75 H LEU 75 -3.376 2.414 -8.639 491 HA LEU 75 HA LEU 75 -3.063 -0.157 -7.246 492 HB3 LEU 75 2HB LEU 75 -2.153 1.906 -5.539 493 HG LEU 75 HG LEU 75 0.099 0.811 -5.768 494 HD11 LEU 75 1HD1 LEU 75 -0.740 -0.266 -4.018 495 HD12 LEU 75 2HD1 LEU 75 -1.241 -1.541 -5.128 496 HD13 LEU 75 3HD1 LEU 75 -2.364 -0.249 -4.705 497 HD21 LEU 75 3HD2 LEU 75 0.487 -0.929 -7.192 498 HD22 LEU 75 1HD2 LEU 75 -0.641 0.006 -8.174 499 HD23 LEU 75 2HD2 LEU 75 -1.213 -1.395 -7.267 500 H HIS 76 H HIS 76 -4.287 -0.422 -5.375 501 HA HIS 76 HA HIS 76 -6.158 1.734 -4.694 502 HB3 HIS 76 2HB HIS 76 -8.050 0.458 -4.967 503 HD1 HIS 76 1HD HIS 76 -7.495 1.598 -7.394 504 HD2 HIS 76 2HD HIS 76 -6.666 -2.450 -6.960 505 HE1 HIS 76 1HE HIS 76 -7.309 0.695 -9.733 506 H LEU 77 H LEU 77 -5.616 2.217 -2.663 507 HA LEU 77 HA LEU 77 -5.425 0.007 -0.730 508 HB3 LEU 77 2HB LEU 77 -3.219 0.585 -0.772 509 HG LEU 77 HG LEU 77 -4.058 3.335 -1.558 510 HD11 LEU 77 1HD1 LEU 77 -2.717 4.033 0.182 511 HD12 LEU 77 2HD1 LEU 77 -1.558 3.908 -1.141 512 HD13 LEU 77 3HD1 LEU 77 -1.655 2.629 0.070 513 HD21 LEU 77 3HD2 LEU 77 -1.584 2.188 -2.585 514 HD22 LEU 77 1HD2 LEU 77 -2.975 2.843 -3.448 515 HD23 LEU 77 2HD2 LEU 77 -2.997 1.174 -2.880 516 H VAL 78 H VAL 78 -7.461 0.263 0.099 517 HA VAL 78 HA VAL 78 -7.847 2.580 1.812 518 HB VAL 78 HB VAL 78 -9.942 1.811 -0.224 519 HG11 VAL 78 1HG1 VAL 78 -11.414 3.074 0.890 520 HG12 VAL 78 2HG1 VAL 78 -10.311 2.915 2.257 521 HG13 VAL 78 3HG1 VAL 78 -10.225 4.334 1.215 522 HG21 VAL 78 3HG2 VAL 78 -8.287 2.979 -1.419 523 HG22 VAL 78 1HG2 VAL 78 -9.506 4.190 -1.024 524 HG23 VAL 78 2HG2 VAL 78 -8.009 4.110 -0.096 525 H LEU 79 H LEU 79 -8.624 1.947 3.715 526 HA LEU 79 HA LEU 79 -9.968 -0.669 3.868 527 HB3 LEU 79 2HB LEU 79 -8.640 0.686 6.187 528 HG LEU 79 HG LEU 79 -9.126 -2.224 5.563 529 HD11 LEU 79 1HD1 LEU 79 -6.986 -2.171 6.537 530 HD12 LEU 79 2HD1 LEU 79 -8.095 -2.541 7.858 531 HD13 LEU 79 3HD1 LEU 79 -7.448 -0.909 7.680 532 HD21 LEU 79 3HD2 LEU 79 -11.096 -1.403 6.465 533 HD22 LEU 79 1HD2 LEU 79 -10.259 -0.256 7.512 534 HD23 LEU 79 2HD2 LEU 79 -10.233 -1.978 7.892 535 H ARG 80 H ARG 80 -12.073 -0.547 4.233 536 HA ARG 80 HA ARG 80 -14.123 0.258 4.827 537 HB3 ARG 80 2HB ARG 80 -12.635 1.166 7.295 538 HG3 ARG 80 2HG ARG 80 -15.307 -0.005 7.548 539 HD3 ARG 80 2HD ARG 80 -14.287 2.614 8.605 540 HE ARG 80 HE ARG 80 -15.920 0.899 10.238 541 HH11 ARG 80 1HH1 ARG 80 -15.910 3.402 7.818 542 HH12 ARG 80 2HH1 ARG 80 -17.494 3.978 8.220 543 HH21 ARG 80 1HH2 ARG 80 -18.007 1.648 10.776 544 HH22 ARG 80 2HH2 ARG 80 -18.686 2.979 9.903 545 H LEU 81 H LEU 81 -13.734 1.887 3.059 546 HA LEU 81 HA LEU 81 -12.881 4.480 3.429 547 HB3 LEU 81 2HB LEU 81 -13.593 3.376 1.283 548 HG LEU 81 HG LEU 81 -15.772 3.456 0.459 549 HD11 LEU 81 1HD1 LEU 81 -17.077 2.114 1.975 550 HD12 LEU 81 2HD1 LEU 81 -16.092 2.633 3.341 551 HD13 LEU 81 3HD1 LEU 81 -15.385 1.628 2.075 552 HD21 LEU 81 3HD2 LEU 81 -17.030 4.687 2.832 553 HD22 LEU 81 1HD2 LEU 81 -17.424 4.851 1.121 554 HD23 LEU 81 2HD2 LEU 81 -16.072 5.755 1.804 555 H ARG 82 H ARG 82 -14.349 6.466 3.375 556 HA ARG 82 HA ARG 82 -16.670 6.163 5.139 557 HB3 ARG 82 2HB ARG 82 -15.891 8.197 6.404 558 HG3 ARG 82 2HG ARG 82 -14.308 5.657 6.546 559 HD3 ARG 82 2HD ARG 82 -14.231 7.828 8.620 560 HE ARG 82 HE ARG 82 -12.109 5.897 8.441 561 HH11 ARG 82 1HH1 ARG 82 -15.261 6.579 9.754 562 HH12 ARG 82 2HH1 ARG 82 -15.097 5.466 11.070 563 HH21 ARG 82 1HH2 ARG 82 -11.882 4.427 10.171 564 HH22 ARG 82 2HH2 ARG 82 -13.175 4.243 11.307 565 H GLY 83 H GLY 83 -14.853 8.939 3.841 566 HA2 GLY 83 2HA GLY 83 -15.692 10.031 1.790 567 HA3 GLY 83 3HA GLY 83 -17.312 9.724 2.399 568 H TYR 84 H TYR 84 -14.495 11.740 2.615 569 HA TYR 84 HA TYR 84 -16.026 13.912 3.659 570 HB3 TYR 84 2HB TYR 84 -13.773 13.079 5.461 571 HD1 TYR 84 1HD TYR 84 -17.285 14.383 5.520 572 HD2 TYR 84 2HD TYR 84 -13.274 14.822 6.873 573 HE1 TYR 84 1HE TYR 84 -17.947 16.360 6.825 574 HE2 TYR 84 2HE TYR 84 -13.926 16.799 8.181 575 HH TYR 84 HH TYR 84 -15.898 18.582 7.963 576 H ALA 85 H ALA 85 -15.196 15.750 2.900 577 HA ALA 85 HA ALA 85 -12.324 15.866 2.286 578 HB1 ALA 85 1HB ALA 85 -14.600 16.517 0.436 579 HB2 ALA 85 2HB ALA 85 -12.979 17.171 0.200 580 HB3 ALA 85 3HB ALA 85 -13.239 15.427 0.168 581 H ASP 86 H ASP 86 -11.489 18.057 2.072 582 HA ASP 86 HA ASP 86 -13.126 20.255 2.976 583 HB3 ASP 86 2HB ASP 86 -11.484 20.742 4.886 584 H LEU 87 H LEU 87 -11.639 22.256 3.320 585 HA LEU 87 HA LEU 87 -9.425 22.172 1.385 586 HB3 LEU 87 2HB LEU 87 -11.042 23.207 0.108 587 HG LEU 87 HG LEU 87 -12.790 23.477 1.876 588 HD11 LEU 87 1HD1 LEU 87 -11.608 24.627 3.585 589 HD12 LEU 87 2HD1 LEU 87 -12.845 25.729 2.982 590 HD13 LEU 87 3HD1 LEU 87 -11.165 25.936 2.488 591 HD21 LEU 87 3HD2 LEU 87 -12.490 24.755 -0.518 592 HD22 LEU 87 1HD2 LEU 87 -12.791 26.100 0.583 593 HD23 LEU 87 2HD2 LEU 87 -13.952 24.778 0.471 594 H ARG 88 H ARG 88 -9.375 22.057 4.281 595 HA ARG 88 HA ARG 88 -7.430 24.107 4.742 596 HB3 ARG 88 2HB ARG 88 -9.623 24.203 6.752 597 HG3 ARG 88 2HG ARG 88 -8.295 26.602 5.616 598 HD3 ARG 88 2HD ARG 88 -9.149 25.727 8.372 599 HE ARG 88 HE ARG 88 -7.356 27.794 7.730 600 HH11 ARG 88 1HH1 ARG 88 -10.233 27.214 9.603 601 HH12 ARG 88 2HH1 ARG 88 -9.877 28.441 10.773 602 HH21 ARG 88 1HH2 ARG 88 -6.877 29.413 9.264 603 HH22 ARG 88 2HH2 ARG 88 -7.967 29.692 10.579 604 H GLU 89 H GLU 89 -6.129 23.690 6.538 605 HA GLU 89 HA GLU 89 -5.030 22.356 8.018 606 HB3 GLU 89 2HB GLU 89 -6.499 21.125 9.665 607 HG3 GLU 89 2HG GLU 89 -7.644 23.851 9.454 608 H ASP 90 H ASP 90 -5.404 21.322 5.392 609 HA ASP 90 HA ASP 90 -5.886 18.466 5.780 610 HB3 ASP 90 2HB ASP 90 -5.284 18.627 3.171 611 HA PRO 91 HA PRO 91 -1.672 17.252 5.842 612 HB3 PRO 91 2HB PRO 91 -2.398 15.074 5.931 613 HG3 PRO 91 2HG PRO 91 -4.243 14.373 4.700 614 HD3 PRO 91 2HD PRO 91 -5.128 16.245 5.712 615 H ASP 92 H ASP 92 -0.278 18.590 4.838 616 HA ASP 92 HA ASP 92 0.742 17.961 2.291 617 HB3 ASP 92 2HB ASP 92 -1.069 18.948 1.208 618 H ARG 93 H ARG 93 2.707 18.921 1.949 619 HA ARG 93 HA ARG 93 3.534 20.944 3.926 620 HB3 ARG 93 2HB ARG 93 5.740 19.948 3.970 621 HG3 ARG 93 2HG ARG 93 3.755 17.701 4.223 622 HD3 ARG 93 2HD ARG 93 6.044 16.955 4.393 623 HE ARG 93 HE ARG 93 6.492 19.358 5.914 624 HH11 ARG 93 1HH1 ARG 93 7.625 16.140 5.219 625 HH12 ARG 93 2HH1 ARG 93 9.258 16.472 5.696 626 HH21 ARG 93 1HH2 ARG 93 8.638 19.807 6.546 627 HH22 ARG 93 2HH2 ARG 93 9.832 18.557 6.452 628 H GLN 94 H GLN 94 5.962 21.646 2.994 629 HA GLN 94 HA GLN 94 5.428 22.618 0.264 630 HB3 GLN 94 2HB GLN 94 5.232 24.389 1.998 631 HG3 GLN 94 2HG GLN 94 8.161 23.852 2.434 632 HE21 GLN 94 1HE2 GLN 94 5.558 25.675 3.999 633 HE22 GLN 94 2HE2 GLN 94 6.437 27.157 4.125 634 H ASP 95 H ASP 95 7.626 23.572 -0.647 635 HA ASP 95 HA ASP 95 9.735 21.579 -0.135 636 HB3 ASP 95 2HB ASP 95 10.288 21.897 -2.621 637 H HIS 96 H HIS 96 11.796 22.465 -1.516 638 HA HIS 96 HA HIS 96 12.148 25.323 -1.130 639 HB3 HIS 96 2HB HIS 96 12.701 24.388 1.076 640 HD1 HIS 96 1HD HIS 96 16.117 23.595 0.147 641 HD2 HIS 96 2HD HIS 96 12.631 21.454 0.872 642 HE1 HIS 96 1HE HIS 96 16.855 21.224 0.544 643 H HIS 97 H HIS 97 14.220 26.095 -1.998 644 HA HIS 97 HA HIS 97 15.969 24.450 -3.466 645 HB3 HIS 97 2HB HIS 97 13.890 25.883 -5.134 646 HD1 HIS 97 1HD HIS 97 15.344 26.924 -6.910 647 HD2 HIS 97 2HD HIS 97 16.291 22.946 -6.180 648 HE1 HIS 97 1HE HIS 97 16.965 26.276 -8.719 649 HA PRO 98 HA PRO 98 17.229 28.845 -2.602 650 HB3 PRO 98 2HB PRO 98 17.928 28.320 -0.477 651 HG3 PRO 98 2HG PRO 98 18.485 26.138 0.098 652 HD3 PRO 98 2HD PRO 98 16.436 25.776 -0.893 653 H GLY 99 H GLY 99 18.879 30.009 -3.613 654 HA2 GLY 99 2HA GLY 99 21.171 28.913 -4.802 655 HA3 GLY 99 3HA GLY 99 19.895 28.945 -6.010 656 H SER 100 H SER 100 21.847 30.927 -3.854 657 HA SER 100 HA SER 100 21.848 33.065 -5.790 658 HB3 SER 100 2HB SER 100 20.751 34.719 -4.578 659 HG SER 100 HG SER 100 19.053 33.086 -3.355 660 H GLY 101 H GLY 101 23.734 34.145 -5.741 661 HA2 GLY 101 2HA GLY 101 25.311 34.191 -3.279 662 HA3 GLY 101 3HA GLY 101 26.025 33.392 -4.672 663 H ALA 102 H ALA 102 27.390 34.619 -5.765 664 HA ALA 102 HA ALA 102 28.438 36.429 -6.664 665 HB1 ALA 102 1HB ALA 102 26.892 38.341 -7.353 666 HB2 ALA 102 2HB ALA 102 26.590 36.755 -8.064 667 HB3 ALA 102 3HB ALA 102 25.578 37.336 -6.741 668 H GLN 103 H GLN 103 28.424 36.199 -3.826 669 HA GLN 103 HA GLN 103 27.869 38.700 -2.594 670 HB3 GLN 103 2HB GLN 103 29.108 37.810 -0.682 671 HG3 GLN 103 2HG GLN 103 27.999 35.510 -0.503 672 HE21 GLN 103 1HE2 GLN 103 27.049 36.226 1.282 673 HE22 GLN 103 2HE2 GLN 103 25.769 37.384 1.340 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -14.432 28.676 0.901 2 HA2 GLY 1 2HA GLY 1 -12.704 26.464 0.718 3 HA3 GLY 1 3HA GLY 1 -14.417 26.390 1.099 4 H SER 2 H SER 2 -12.007 25.941 -1.312 5 HA SER 2 HA SER 2 -13.869 24.500 -2.970 6 HB3 SER 2 2HB SER 2 -13.134 25.860 -5.036 7 HG SER 2 HG SER 2 -14.678 27.660 -3.868 8 H LEU 3 H LEU 3 -12.846 22.750 -3.662 9 HA LEU 3 HA LEU 3 -10.113 22.287 -3.245 10 HB3 LEU 3 2HB LEU 3 -11.570 20.428 -3.338 11 HG LEU 3 HG LEU 3 -13.096 21.580 -5.201 12 HD11 LEU 3 1HD1 LEU 3 -12.845 20.142 -7.275 13 HD12 LEU 3 2HD1 LEU 3 -11.225 19.764 -6.693 14 HD13 LEU 3 3HD1 LEU 3 -11.663 21.432 -7.059 15 HD21 LEU 3 3HD2 LEU 3 -12.767 18.612 -4.779 16 HD22 LEU 3 1HD2 LEU 3 -14.179 19.392 -5.492 17 HD23 LEU 3 2HD2 LEU 3 -13.754 19.706 -3.810 18 H VAL 4 H VAL 4 -8.396 22.001 -4.738 19 HA VAL 4 HA VAL 4 -8.322 24.000 -6.789 20 HB VAL 4 HB VAL 4 -6.025 23.092 -7.234 21 HG11 VAL 4 1HG1 VAL 4 -7.000 24.233 -4.702 22 HG12 VAL 4 2HG1 VAL 4 -5.368 23.561 -4.655 23 HG13 VAL 4 3HG1 VAL 4 -5.770 24.825 -5.818 24 HG21 VAL 4 3HG2 VAL 4 -6.965 20.815 -6.043 25 HG22 VAL 4 1HG2 VAL 4 -5.265 21.188 -6.332 26 HG23 VAL 4 2HG2 VAL 4 -5.990 21.532 -4.760 27 HA PRO 5 HA PRO 5 -9.443 21.655 -10.329 28 HB3 PRO 5 2HB PRO 5 -9.254 23.604 -11.530 29 HG3 PRO 5 2HG PRO 5 -7.586 25.152 -11.050 30 HD3 PRO 5 2HD PRO 5 -8.441 24.821 -8.935 31 H ARG 6 H ARG 6 -5.919 22.119 -10.037 32 HA ARG 6 HA ARG 6 -5.561 19.261 -10.580 33 HB3 ARG 6 2HB ARG 6 -5.189 20.362 -12.714 34 HG3 ARG 6 2HG ARG 6 -2.919 21.778 -12.664 35 HD3 ARG 6 2HD ARG 6 -5.780 22.607 -12.461 36 HE ARG 6 HE ARG 6 -3.887 24.385 -11.668 37 HH11 ARG 6 1HH1 ARG 6 -5.967 24.133 -14.448 38 HH12 ARG 6 2HH1 ARG 6 -6.075 25.846 -14.686 39 HH21 ARG 6 1HH2 ARG 6 -4.021 26.642 -11.971 40 HH22 ARG 6 2HH2 ARG 6 -4.966 27.272 -13.276 41 H GLY 7 H GLY 7 -3.487 18.423 -9.871 42 HA2 GLY 7 2HA GLY 7 -2.254 20.112 -7.780 43 HA3 GLY 7 3HA GLY 7 -2.572 18.399 -7.549 44 H SER 8 H SER 8 -0.685 17.376 -7.480 45 HA SER 8 HA SER 8 1.335 18.058 -9.516 46 HB3 SER 8 2HB SER 8 3.070 17.598 -7.971 47 HG SER 8 HG SER 8 2.573 19.453 -7.121 48 H MET 9 H MET 9 0.622 15.354 -7.297 49 HA MET 9 HA MET 9 1.136 13.512 -9.533 50 HB3 MET 9 2HB MET 9 2.069 12.015 -8.079 51 HG3 MET 9 2HG MET 9 3.324 13.066 -6.277 52 HE1 MET 9 3HE MET 9 5.053 13.001 -9.851 53 HE2 MET 9 1HE MET 9 4.788 12.099 -8.360 54 HE3 MET 9 2HE MET 9 3.458 12.339 -9.492 55 H GLN 10 H GLN 10 -0.449 12.230 -10.260 56 HA GLN 10 HA GLN 10 -2.862 11.905 -8.613 57 HB3 GLN 10 2HB GLN 10 -4.240 12.140 -10.661 58 HG3 GLN 10 2HG GLN 10 -2.516 14.466 -9.883 59 HE21 GLN 10 1HE2 GLN 10 -5.797 14.172 -11.146 60 HE22 GLN 10 2HE2 GLN 10 -5.600 15.317 -12.425 61 H ILE 11 H ILE 11 -3.896 9.941 -8.766 62 HA ILE 11 HA ILE 11 -2.954 7.982 -10.704 63 HB ILE 11 HB ILE 11 -1.629 7.956 -8.401 64 HG13 ILE 11 2HG1 ILE 11 -1.772 6.313 -10.503 65 HG21 ILE 11 1HG2 ILE 11 -3.975 7.650 -7.285 66 HG22 ILE 11 2HG2 ILE 11 -3.733 5.958 -7.717 67 HG23 ILE 11 3HG2 ILE 11 -2.572 6.775 -6.670 68 HD11 ILE 11 3HD1 ILE 11 -0.216 6.323 -8.096 69 HD12 ILE 11 1HD1 ILE 11 -0.482 4.671 -8.653 70 HD13 ILE 11 2HD1 ILE 11 0.248 5.859 -9.733 71 H PHE 12 H PHE 12 -4.169 5.815 -10.270 72 HA PHE 12 HA PHE 12 -6.990 6.516 -9.835 73 HB3 PHE 12 2HB PHE 12 -6.671 3.923 -11.016 74 HD1 PHE 12 1HD PHE 12 -9.128 4.638 -10.585 75 HD2 PHE 12 2HD PHE 12 -6.613 6.385 -13.542 76 HE1 PHE 12 1HE PHE 12 -11.114 5.436 -11.798 77 HE2 PHE 12 2HE PHE 12 -8.596 7.187 -14.760 78 HZ PHE 12 HZ PHE 12 -10.850 6.712 -13.888 79 H VAL 13 H VAL 13 -7.949 5.812 -8.055 80 HA VAL 13 HA VAL 13 -7.042 3.294 -6.842 81 HB VAL 13 HB VAL 13 -7.662 5.809 -5.288 82 HG11 VAL 13 1HG1 VAL 13 -6.338 3.738 -3.807 83 HG12 VAL 13 2HG1 VAL 13 -7.879 4.536 -3.481 84 HG13 VAL 13 3HG1 VAL 13 -7.824 3.115 -4.525 85 HG21 VAL 13 3HG2 VAL 13 -5.186 4.739 -6.398 86 HG22 VAL 13 1HG2 VAL 13 -5.545 6.348 -5.771 87 HG23 VAL 13 2HG2 VAL 13 -5.097 5.050 -4.664 88 H LYS 14 H LYS 14 -8.645 1.948 -6.306 89 HA LYS 14 HA LYS 14 -11.388 3.027 -6.230 90 HB3 LYS 14 2HB LYS 14 -12.074 0.719 -7.029 91 HG3 LYS 14 2HG LYS 14 -11.020 1.107 -9.409 92 HD3 LYS 14 2HD LYS 14 -13.024 2.859 -8.004 93 HE3 LYS 14 2HE LYS 14 -11.930 3.969 -10.017 94 HZ1 LYS 14 3HZ LYS 14 -13.060 3.106 -12.139 95 HZ2 LYS 14 1HZ LYS 14 -13.189 1.638 -11.308 96 HZ3 LYS 14 2HZ LYS 14 -11.666 2.319 -11.591 97 H THR 15 H THR 15 -12.352 2.828 -4.329 98 HA THR 15 HA THR 15 -11.188 1.272 -2.219 99 HB THR 15 HB THR 15 -12.885 2.173 -0.792 100 HG1 THR 15 1HG THR 15 -14.562 3.536 -1.913 101 HG21 THR 15 3HG2 THR 15 -11.814 4.124 -0.821 102 HG22 THR 15 1HG2 THR 15 -12.798 4.647 -2.186 103 HG23 THR 15 2HG2 THR 15 -11.272 3.811 -2.469 104 H LEU 16 H LEU 16 -13.077 0.141 -0.779 105 HA LEU 16 HA LEU 16 -13.767 -2.197 -2.283 106 HB3 LEU 16 2HB LEU 16 -14.525 -3.111 -0.219 107 HG LEU 16 HG LEU 16 -11.994 -1.625 -0.108 108 HD11 LEU 16 1HD1 LEU 16 -13.348 -2.535 2.426 109 HD12 LEU 16 2HD1 LEU 16 -12.941 -0.875 1.995 110 HD13 LEU 16 3HD1 LEU 16 -11.658 -2.050 2.284 111 HD21 LEU 16 3HD2 LEU 16 -13.013 -4.390 0.202 112 HD22 LEU 16 1HD2 LEU 16 -11.515 -3.978 1.038 113 HD23 LEU 16 2HD2 LEU 16 -11.630 -3.783 -0.710 114 H THR 17 H THR 17 -15.462 0.621 -1.093 115 HA THR 17 HA THR 17 -18.075 -0.451 -1.702 116 HB THR 17 HB THR 17 -17.630 1.200 0.162 117 HG1 THR 17 1HG THR 17 -19.563 2.082 -1.733 118 HG21 THR 17 3HG2 THR 17 -16.163 2.709 -1.124 119 HG22 THR 17 1HG2 THR 17 -17.531 3.562 -0.409 120 HG23 THR 17 2HG2 THR 17 -17.538 3.167 -2.128 121 H GLY 18 H GLY 18 -15.701 1.627 -3.217 122 HA2 GLY 18 2HA GLY 18 -15.936 1.452 -5.745 123 HA3 GLY 18 3HA GLY 18 -17.560 2.065 -5.468 124 H LYS 19 H LYS 19 -15.969 3.617 -3.183 125 HA LYS 19 HA LYS 19 -15.971 6.103 -4.498 126 HB3 LYS 19 2HB LYS 19 -14.202 6.064 -2.206 127 HG3 LYS 19 2HG LYS 19 -15.547 8.008 -2.927 128 HD3 LYS 19 2HD LYS 19 -17.925 6.806 -1.590 129 HE3 LYS 19 2HE LYS 19 -18.437 8.367 -3.929 130 HZ1 LYS 19 3HZ LYS 19 -19.145 8.316 -1.148 131 HZ2 LYS 19 1HZ LYS 19 -20.082 8.733 -2.494 132 HZ3 LYS 19 2HZ LYS 19 -19.071 9.884 -1.777 133 H THR 20 H THR 20 -14.328 7.394 -5.285 134 HA THR 20 HA THR 20 -11.762 6.026 -5.765 135 HB THR 20 HB THR 20 -12.827 8.222 -7.522 136 HG1 THR 20 1HG THR 20 -13.140 5.497 -8.184 137 HG21 THR 20 3HG2 THR 20 -10.389 7.255 -7.493 138 HG22 THR 20 1HG2 THR 20 -11.198 7.578 -9.025 139 HG23 THR 20 2HG2 THR 20 -11.121 5.932 -8.398 140 H ILE 21 H ILE 21 -9.924 7.024 -5.175 141 HA ILE 21 HA ILE 21 -10.050 9.864 -4.428 142 HB ILE 21 HB ILE 21 -8.459 9.300 -2.532 143 HG13 ILE 21 2HG1 ILE 21 -8.153 7.126 -1.812 144 HG21 ILE 21 1HG2 ILE 21 -10.703 9.969 -2.058 145 HG22 ILE 21 2HG2 ILE 21 -11.320 8.366 -2.458 146 HG23 ILE 21 3HG2 ILE 21 -10.319 8.592 -1.025 147 HD11 ILE 21 3HD1 ILE 21 -9.630 5.248 -2.919 148 HD12 ILE 21 1HD1 ILE 21 -10.156 6.108 -1.472 149 HD13 ILE 21 2HD1 ILE 21 -10.788 6.571 -3.052 150 H THR 22 H THR 22 -8.378 11.065 -5.116 151 HA THR 22 HA THR 22 -6.415 9.840 -6.829 152 HB THR 22 HB THR 22 -5.818 12.597 -6.307 153 HG1 THR 22 1HG THR 22 -8.458 12.295 -7.255 154 HG21 THR 22 3HG2 THR 22 -5.754 10.923 -8.425 155 HG22 THR 22 1HG2 THR 22 -5.684 12.679 -8.565 156 HG23 THR 22 2HG2 THR 22 -7.217 11.837 -8.791 157 H LEU 23 H LEU 23 -4.522 9.078 -6.173 158 HA LEU 23 HA LEU 23 -3.332 10.187 -3.718 159 HB3 LEU 23 2HB LEU 23 -2.351 8.046 -3.276 160 HG LEU 23 HG LEU 23 -5.155 7.323 -4.093 161 HD11 LEU 23 1HD1 LEU 23 -3.728 6.453 -1.619 162 HD12 LEU 23 2HD1 LEU 23 -3.381 5.667 -3.159 163 HD13 LEU 23 3HD1 LEU 23 -5.021 5.652 -2.513 164 HD21 LEU 23 3HD2 LEU 23 -4.205 8.968 -1.761 165 HD22 LEU 23 1HD2 LEU 23 -5.735 8.091 -1.747 166 HD23 LEU 23 2HD2 LEU 23 -5.456 9.359 -2.942 167 H GLU 24 H GLU 24 -0.975 10.168 -3.623 168 HA GLU 24 HA GLU 24 0.158 10.917 -6.199 169 HB3 GLU 24 2HB GLU 24 0.481 12.428 -4.300 170 HG3 GLU 24 2HG GLU 24 1.936 10.109 -3.062 171 H VAL 25 H VAL 25 2.118 10.067 -7.003 172 HA VAL 25 HA VAL 25 3.163 7.643 -5.757 173 HB VAL 25 HB VAL 25 1.517 6.681 -7.188 174 HG11 VAL 25 1HG1 VAL 25 1.877 7.246 -9.763 175 HG12 VAL 25 2HG1 VAL 25 0.788 8.179 -8.735 176 HG13 VAL 25 3HG1 VAL 25 2.410 8.781 -9.079 177 HG21 VAL 25 3HG2 VAL 25 4.067 6.518 -8.775 178 HG22 VAL 25 1HG2 VAL 25 3.873 5.746 -7.200 179 HG23 VAL 25 2HG2 VAL 25 2.838 5.273 -8.547 180 H GLU 26 H GLU 26 5.256 7.068 -6.455 181 HA GLU 26 HA GLU 26 6.626 8.459 -8.523 182 HB3 GLU 26 2HB GLU 26 8.215 9.254 -6.352 183 HG3 GLU 26 2HG GLU 26 6.389 11.257 -7.528 184 HA PRO 27 HA PRO 27 9.307 5.008 -8.125 185 HB3 PRO 27 2HB PRO 27 10.238 5.649 -10.126 186 HG3 PRO 27 2HG PRO 27 10.536 7.896 -10.644 187 HD3 PRO 27 2HD PRO 27 8.327 7.930 -9.989 188 H SER 28 H SER 28 10.334 8.057 -6.716 189 HA SER 28 HA SER 28 12.164 6.626 -4.920 190 HB3 SER 28 2HB SER 28 13.333 8.416 -5.897 191 HG SER 28 HG SER 28 11.972 10.592 -5.414 192 H ASP 29 H ASP 29 9.091 8.037 -5.051 193 HA ASP 29 HA ASP 29 8.990 8.542 -2.171 194 HB3 ASP 29 2HB ASP 29 6.527 8.906 -3.740 195 H THR 30 H THR 30 7.958 7.254 -0.762 196 HA THR 30 HA THR 30 6.751 4.798 -1.824 197 HB THR 30 HB THR 30 8.633 4.574 -0.203 198 HG1 THR 30 1HG THR 30 7.619 2.920 0.901 199 HG21 THR 30 3HG2 THR 30 8.681 5.757 1.683 200 HG22 THR 30 1HG2 THR 30 7.158 5.035 2.200 201 HG23 THR 30 2HG2 THR 30 7.152 6.510 1.233 202 H ILE 31 H ILE 31 5.028 3.880 -0.208 203 HA ILE 31 HA ILE 31 2.721 5.372 -0.427 204 HB ILE 31 HB ILE 31 3.248 3.347 1.749 205 HG13 ILE 31 2HG1 ILE 31 2.264 1.723 0.095 206 HG21 ILE 31 1HG2 ILE 31 0.890 4.796 0.823 207 HG22 ILE 31 2HG2 ILE 31 0.661 3.050 0.901 208 HG23 ILE 31 3HG2 ILE 31 1.172 3.937 2.338 209 HD11 ILE 31 3HD1 ILE 31 3.014 3.709 -2.018 210 HD12 ILE 31 1HD1 ILE 31 2.167 2.173 -2.194 211 HD13 ILE 31 2HD1 ILE 31 1.359 3.543 -1.433 212 H GLU 32 H GLU 32 5.205 5.551 1.990 213 HA GLU 32 HA GLU 32 3.921 6.675 4.145 214 HB3 GLU 32 2HB GLU 32 6.091 7.917 4.540 215 HG3 GLU 32 2HG GLU 32 6.082 4.977 3.982 216 H ASN 33 H ASN 33 5.291 8.418 1.355 217 HA ASN 33 HA ASN 33 4.369 10.965 2.175 218 HB3 ASN 33 2HB ASN 33 4.631 11.213 -0.531 219 HD21 ASN 33 1HD2 ASN 33 5.556 13.117 -0.331 220 HD22 ASN 33 2HD2 ASN 33 6.997 13.459 0.559 221 H VAL 34 H VAL 34 2.921 8.357 0.378 222 HA VAL 34 HA VAL 34 0.824 9.795 -0.847 223 HB VAL 34 HB VAL 34 0.785 6.903 0.024 224 HG11 VAL 34 1HG1 VAL 34 -1.367 7.212 -0.623 225 HG12 VAL 34 2HG1 VAL 34 -0.979 8.595 -1.646 226 HG13 VAL 34 3HG1 VAL 34 -0.662 6.958 -2.218 227 HG21 VAL 34 3HG2 VAL 34 1.889 8.217 -2.447 228 HG22 VAL 34 1HG2 VAL 34 2.722 7.161 -1.307 229 HG23 VAL 34 2HG2 VAL 34 1.484 6.502 -2.375 230 H LYS 35 H LYS 35 1.230 8.444 2.352 231 HA LYS 35 HA LYS 35 -1.361 8.319 3.276 232 HB3 LYS 35 2HB LYS 35 -0.471 8.595 5.501 233 HG3 LYS 35 2HG LYS 35 1.721 7.332 3.870 234 HD3 LYS 35 2HD LYS 35 1.861 5.855 5.889 235 HE3 LYS 35 2HE LYS 35 2.597 8.711 5.797 236 HZ1 LYS 35 3HZ LYS 35 3.348 8.858 7.978 237 HZ2 LYS 35 1HZ LYS 35 3.143 7.207 8.279 238 HZ3 LYS 35 2HZ LYS 35 1.792 8.216 8.148 239 H ALA 36 H ALA 36 0.568 11.125 2.580 240 HA ALA 36 HA ALA 36 -1.082 12.984 4.008 241 HB1 ALA 36 1HB ALA 36 0.637 14.340 3.651 242 HB2 ALA 36 2HB ALA 36 1.418 13.059 2.725 243 HB3 ALA 36 3HB ALA 36 0.399 14.242 1.906 244 H LYS 37 H LYS 37 -0.678 12.134 0.577 245 HA LYS 37 HA LYS 37 -2.659 13.896 -0.395 246 HB3 LYS 37 2HB LYS 37 -2.641 12.052 -2.319 247 HG3 LYS 37 2HG LYS 37 -0.034 13.118 -2.508 248 HD3 LYS 37 2HD LYS 37 -2.190 12.913 -4.096 249 HE3 LYS 37 2HE LYS 37 -3.244 14.841 -2.825 250 HZ1 LYS 37 3HZ LYS 37 -1.038 16.270 -4.182 251 HZ2 LYS 37 1HZ LYS 37 -1.506 16.361 -2.559 252 HZ3 LYS 37 2HZ LYS 37 -2.478 17.049 -3.759 253 H ILE 38 H ILE 38 -2.762 10.408 0.313 254 HA ILE 38 HA ILE 38 -5.461 10.019 -0.352 255 HB ILE 38 HB ILE 38 -3.760 8.208 0.024 256 HG13 ILE 38 2HG1 ILE 38 -5.410 6.663 0.395 257 HG21 ILE 38 1HG2 ILE 38 -2.798 8.972 2.098 258 HG22 ILE 38 2HG2 ILE 38 -4.352 8.813 2.917 259 HG23 ILE 38 3HG2 ILE 38 -3.509 7.375 2.341 260 HD11 ILE 38 3HD1 ILE 38 -7.346 7.147 2.014 261 HD12 ILE 38 1HD1 ILE 38 -5.781 6.679 2.677 262 HD13 ILE 38 2HD1 ILE 38 -6.272 8.373 2.687 263 H GLN 39 H GLN 39 -3.927 11.238 2.537 264 HA GLN 39 HA GLN 39 -6.157 10.958 4.272 265 HB3 GLN 39 2HB GLN 39 -3.710 12.718 4.367 266 HG3 GLN 39 2HG GLN 39 -5.829 12.371 6.474 267 HE21 GLN 39 1HE2 GLN 39 -5.258 14.311 8.113 268 HE22 GLN 39 2HE2 GLN 39 -3.690 14.146 8.818 269 H ASP 40 H ASP 40 -5.107 13.443 2.033 270 HA ASP 40 HA ASP 40 -7.013 15.394 2.923 271 HB3 ASP 40 2HB ASP 40 -5.968 15.668 0.186 272 H LYS 41 H LYS 41 -6.982 12.790 0.631 273 HA LYS 41 HA LYS 41 -9.225 13.656 -0.906 274 HB3 LYS 41 2HB LYS 41 -9.202 10.997 -1.333 275 HG3 LYS 41 2HG LYS 41 -8.755 12.642 -3.070 276 HD3 LYS 41 2HD LYS 41 -5.874 12.635 -2.222 277 HE3 LYS 41 2HE LYS 41 -6.409 13.260 -4.536 278 HZ1 LYS 41 3HZ LYS 41 -8.260 15.108 -3.198 279 HZ2 LYS 41 1HZ LYS 41 -8.490 14.181 -4.595 280 HZ3 LYS 41 2HZ LYS 41 -7.539 15.578 -4.655 281 H GLU 42 H GLU 42 -8.852 11.098 1.554 282 HA GLU 42 HA GLU 42 -11.701 11.454 2.207 283 HB3 GLU 42 2HB GLU 42 -11.479 8.918 2.872 284 HG3 GLU 42 2HG GLU 42 -11.740 9.836 0.020 285 H GLY 43 H GLY 43 -8.470 10.635 3.325 286 HA2 GLY 43 2HA GLY 43 -7.589 11.341 5.401 287 HA3 GLY 43 3HA GLY 43 -9.228 11.535 6.004 288 H ILE 44 H ILE 44 -8.277 8.641 4.323 289 HA ILE 44 HA ILE 44 -9.049 6.994 6.510 290 HB ILE 44 HB ILE 44 -8.144 6.576 3.753 291 HG13 ILE 44 2HG1 ILE 44 -10.037 5.121 5.611 292 HG21 ILE 44 1HG2 ILE 44 -6.358 5.357 4.767 293 HG22 ILE 44 2HG2 ILE 44 -7.463 4.571 5.893 294 HG23 ILE 44 3HG2 ILE 44 -7.539 4.189 4.174 295 HD11 ILE 44 3HD1 ILE 44 -11.046 6.538 3.244 296 HD12 ILE 44 1HD1 ILE 44 -11.738 6.375 4.858 297 HD13 ILE 44 2HD1 ILE 44 -10.464 7.557 4.560 298 HA PRO 45 HA PRO 45 -5.269 6.747 8.755 299 HB3 PRO 45 2HB PRO 45 -6.520 5.864 10.468 300 HG3 PRO 45 2HG PRO 45 -8.341 4.483 10.034 301 HD3 PRO 45 2HD PRO 45 -8.832 6.241 8.627 302 HA PRO 46 HA PRO 46 -2.931 4.269 5.803 303 HB3 PRO 46 2HB PRO 46 -1.676 6.151 5.402 304 HG3 PRO 46 2HG PRO 46 -1.406 7.783 7.035 305 HD3 PRO 46 2HD PRO 46 -3.698 7.546 7.087 306 H ASP 47 H ASP 47 -2.620 4.521 9.246 307 HA ASP 47 HA ASP 47 -0.540 2.686 9.687 308 HB3 ASP 47 2HB ASP 47 -1.958 2.356 11.921 309 H GLN 48 H GLN 48 -4.013 2.243 9.260 310 HA GLN 48 HA GLN 48 -3.620 -0.669 9.386 311 HB3 GLN 48 2HB GLN 48 -6.024 -0.842 9.766 312 HG3 GLN 48 2HG GLN 48 -6.252 0.548 11.870 313 HE21 GLN 48 1HE2 GLN 48 -6.441 -1.223 13.042 314 HE22 GLN 48 2HE2 GLN 48 -5.189 -2.374 13.350 315 H GLN 49 H GLN 49 -4.193 1.919 7.271 316 HA GLN 49 HA GLN 49 -5.831 0.936 5.304 317 HB3 GLN 49 2HB GLN 49 -3.282 2.521 4.934 318 HG3 GLN 49 2HG GLN 49 -5.674 2.579 3.129 319 HE21 GLN 49 1HE2 GLN 49 -2.144 2.914 3.333 320 HE22 GLN 49 2HE2 GLN 49 -2.052 4.331 2.348 321 H ARG 50 H ARG 50 -5.734 -0.604 3.777 322 HA ARG 50 HA ARG 50 -3.405 -2.360 3.780 323 HB3 ARG 50 2HB ARG 50 -4.787 -4.006 2.809 324 HG3 ARG 50 2HG ARG 50 -7.063 -2.773 4.183 325 HD3 ARG 50 2HD ARG 50 -5.622 -5.172 5.164 326 HE ARG 50 HE ARG 50 -7.693 -5.210 6.130 327 HH11 ARG 50 1HH1 ARG 50 -8.032 -4.443 2.752 328 HH12 ARG 50 2HH1 ARG 50 -9.763 -4.538 2.770 329 HH21 ARG 50 1HH2 ARG 50 -9.970 -5.340 6.166 330 HH22 ARG 50 2HH2 ARG 50 -10.863 -5.047 4.713 331 H LEU 51 H LEU 51 -2.766 -3.308 1.617 332 HA LEU 51 HA LEU 51 -2.835 -1.250 -0.487 333 HB3 LEU 51 2HB LEU 51 -0.462 -2.311 -0.989 334 HG LEU 51 HG LEU 51 -0.648 0.061 -0.548 335 HD11 LEU 51 1HD1 LEU 51 -1.302 -0.888 2.172 336 HD12 LEU 51 2HD1 LEU 51 -1.907 0.505 1.276 337 HD13 LEU 51 3HD1 LEU 51 -0.327 0.577 2.054 338 HD21 LEU 51 3HD2 LEU 51 1.574 -0.158 -0.493 339 HD22 LEU 51 1HD2 LEU 51 1.493 -1.603 0.516 340 HD23 LEU 51 2HD2 LEU 51 1.424 -0.004 1.258 341 H ILE 52 H ILE 52 -3.341 -1.951 -2.471 342 HA ILE 52 HA ILE 52 -3.190 -4.835 -3.025 343 HB ILE 52 HB ILE 52 -5.551 -3.020 -3.435 344 HG13 ILE 52 2HG1 ILE 52 -5.079 -5.692 -2.115 345 HG21 ILE 52 1HG2 ILE 52 -4.849 -5.532 -4.921 346 HG22 ILE 52 2HG2 ILE 52 -6.517 -4.996 -4.730 347 HG23 ILE 52 3HG2 ILE 52 -5.352 -3.971 -5.568 348 HD11 ILE 52 3HD1 ILE 52 -5.015 -4.482 -0.267 349 HD12 ILE 52 1HD1 ILE 52 -5.418 -3.011 -1.151 350 HD13 ILE 52 2HD1 ILE 52 -6.703 -4.058 -0.548 351 H PHE 53 H PHE 53 -1.974 -5.191 -4.749 352 HA PHE 53 HA PHE 53 -1.992 -3.205 -6.924 353 HB3 PHE 53 2HB PHE 53 0.342 -4.660 -5.696 354 HD1 PHE 53 2HD PHE 53 -0.707 -2.796 -8.732 355 HD2 PHE 53 1HD PHE 53 2.298 -5.146 -6.844 356 HE1 PHE 53 2HE PHE 53 0.537 -2.903 -10.852 357 HE2 PHE 53 1HE PHE 53 3.547 -5.257 -8.961 358 HZ PHE 53 HZ PHE 53 2.666 -4.136 -10.969 359 H ALA 54 H ALA 54 -2.831 -4.044 -8.705 360 HA ALA 54 HA ALA 54 -3.516 -5.532 -10.289 361 HB1 ALA 54 1HB ALA 54 -1.021 -7.094 -9.695 362 HB2 ALA 54 2HB ALA 54 -1.852 -6.881 -11.237 363 HB3 ALA 54 3HB ALA 54 -0.972 -5.533 -10.517 364 H GLY 55 H GLY 55 -4.383 -6.015 -7.557 365 HA2 GLY 55 2HA GLY 55 -5.915 -7.642 -6.813 366 HA3 GLY 55 3HA GLY 55 -5.176 -8.805 -7.903 367 H LYS 56 H LYS 56 -2.467 -7.941 -6.874 368 HA LYS 56 HA LYS 56 -2.492 -9.689 -4.523 369 HB3 LYS 56 2HB LYS 56 -0.115 -8.715 -6.115 370 HG3 LYS 56 2HG LYS 56 0.020 -9.835 -3.703 371 HD3 LYS 56 2HD LYS 56 0.689 -12.285 -4.276 372 HE3 LYS 56 2HE LYS 56 -2.264 -11.931 -4.319 373 HZ1 LYS 56 3HZ LYS 56 -0.466 -13.440 -2.501 374 HZ2 LYS 56 1HZ LYS 56 -1.207 -14.091 -3.876 375 HZ3 LYS 56 2HZ LYS 56 -2.152 -13.557 -2.577 376 H GLN 57 H GLN 57 -2.253 -8.891 -2.544 377 HA GLN 57 HA GLN 57 -1.785 -6.080 -2.158 378 HB3 GLN 57 2HB GLN 57 -3.411 -7.284 -0.776 379 HG3 GLN 57 2HG GLN 57 -2.219 -8.586 1.191 380 HE21 GLN 57 1HE2 GLN 57 -1.468 -11.032 -0.497 381 HE22 GLN 57 2HE2 GLN 57 -2.998 -11.663 -0.989 382 H LEU 58 H LEU 58 -0.123 -5.176 -0.826 383 HA LEU 58 HA LEU 58 2.425 -6.538 -1.189 384 HB3 LEU 58 2HB LEU 58 3.329 -4.322 -0.334 385 HG LEU 58 HG LEU 58 3.069 -3.084 -2.350 386 HD11 LEU 58 1HD1 LEU 58 2.816 -5.678 -3.651 387 HD12 LEU 58 2HD1 LEU 58 3.928 -5.689 -2.284 388 HD13 LEU 58 3HD1 LEU 58 4.176 -4.555 -3.610 389 HD21 LEU 58 3HD2 LEU 58 1.346 -3.357 -3.918 390 HD22 LEU 58 1HD2 LEU 58 0.537 -3.368 -2.351 391 HD23 LEU 58 2HD2 LEU 58 0.822 -4.884 -3.205 392 H GLU 59 H GLU 59 4.020 -5.759 0.761 393 HA GLU 59 HA GLU 59 2.787 -6.877 3.189 394 HB3 GLU 59 2HB GLU 59 5.258 -7.327 3.795 395 HG3 GLU 59 2HG GLU 59 4.606 -8.953 1.414 396 H ASP 60 H ASP 60 5.738 -4.976 2.630 397 HA ASP 60 HA ASP 60 4.889 -3.183 4.801 398 HB3 ASP 60 2HB ASP 60 7.561 -2.635 4.262 399 H GLY 61 H GLY 61 6.219 -0.950 4.470 400 HA2 GLY 61 2HA GLY 61 5.223 0.068 1.897 401 HA3 GLY 61 3HA GLY 61 5.492 1.033 3.341 402 H ARG 62 H ARG 62 6.826 -0.131 0.420 403 HA ARG 62 HA ARG 62 9.343 1.266 1.032 404 HB3 ARG 62 2HB ARG 62 10.572 -0.391 -0.287 405 HG3 ARG 62 2HG ARG 62 10.012 -2.492 1.131 406 HD3 ARG 62 2HD ARG 62 11.794 -0.609 1.464 407 HE ARG 62 HE ARG 62 9.757 0.440 3.086 408 HH11 ARG 62 1HH1 ARG 62 13.161 -0.286 3.193 409 HH12 ARG 62 2HH1 ARG 62 13.522 0.957 4.345 410 HH21 ARG 62 1HH2 ARG 62 10.221 2.079 4.602 411 HH22 ARG 62 2HH2 ARG 62 11.849 2.301 5.146 412 H THR 63 H THR 63 10.563 1.795 -1.041 413 HA THR 63 HA THR 63 8.781 3.249 -2.760 414 HB THR 63 HB THR 63 10.711 4.216 -3.750 415 HG1 THR 63 1HG THR 63 12.839 3.191 -2.959 416 HG21 THR 63 3HG2 THR 63 11.943 5.047 -1.856 417 HG22 THR 63 1HG2 THR 63 11.457 3.664 -0.877 418 HG23 THR 63 2HG2 THR 63 10.255 4.852 -1.384 419 H LEU 64 H LEU 64 8.780 3.101 -5.094 420 HA LEU 64 HA LEU 64 8.540 0.397 -5.993 421 HB3 LEU 64 2HB LEU 64 7.563 1.251 -7.897 422 HG LEU 64 HG LEU 64 7.194 3.671 -6.138 423 HD11 LEU 64 1HD1 LEU 64 5.658 4.315 -7.607 424 HD12 LEU 64 2HD1 LEU 64 4.911 2.718 -7.622 425 HD13 LEU 64 3HD1 LEU 64 6.267 3.066 -8.693 426 HD21 LEU 64 3HD2 LEU 64 6.262 0.891 -5.831 427 HD22 LEU 64 1HD2 LEU 64 5.033 2.142 -5.644 428 HD23 LEU 64 2HD2 LEU 64 6.472 2.162 -4.626 429 H SER 65 H SER 65 10.989 2.839 -6.140 430 HA SER 65 HA SER 65 12.445 1.744 -8.336 431 HB3 SER 65 2HB SER 65 13.302 3.631 -6.128 432 HG SER 65 HG SER 65 15.198 3.647 -7.026 433 H GLU 66 H GLU 66 12.716 1.491 -4.814 434 HA GLU 66 HA GLU 66 15.024 -0.197 -4.901 435 HB3 GLU 66 2HB GLU 66 14.285 1.318 -2.977 436 HG3 GLU 66 2HG GLU 66 12.607 -1.083 -2.288 437 H TYR 67 H TYR 67 11.564 -0.691 -4.799 438 HA TYR 67 HA TYR 67 11.859 -3.557 -4.388 439 HB3 TYR 67 2HB TYR 67 9.189 -2.577 -5.086 440 HD1 TYR 67 2HD TYR 67 10.451 -5.291 -4.657 441 HD2 TYR 67 1HD TYR 67 8.533 -2.612 -1.965 442 HE1 TYR 67 2HE TYR 67 9.826 -7.188 -3.223 443 HE2 TYR 67 1HE TYR 67 7.904 -4.502 -0.524 444 HH TYR 67 HH TYR 67 8.133 -6.688 -0.148 445 H ASN 68 H ASN 68 11.963 -1.445 -6.963 446 HA ASN 68 HA ASN 68 11.723 -1.636 -9.225 447 HB3 ASN 68 2HB ASN 68 12.228 -4.576 -8.993 448 HD21 ASN 68 1HD2 ASN 68 14.607 -2.289 -9.957 449 HD22 ASN 68 2HD2 ASN 68 14.472 -2.539 -11.660 450 H ILE 69 H ILE 69 9.300 -1.969 -7.694 451 HA ILE 69 HA ILE 69 7.809 -3.981 -9.210 452 HB ILE 69 HB ILE 69 5.949 -3.492 -7.662 453 HG13 ILE 69 2HG1 ILE 69 6.481 -1.154 -7.168 454 HG21 ILE 69 1HG2 ILE 69 7.886 -3.988 -5.621 455 HG22 ILE 69 2HG2 ILE 69 6.787 -5.119 -6.408 456 HG23 ILE 69 3HG2 ILE 69 8.377 -4.806 -7.105 457 HD11 ILE 69 3HD1 ILE 69 5.180 -2.405 -5.477 458 HD12 ILE 69 1HD1 ILE 69 6.686 -2.745 -4.625 459 HD13 ILE 69 2HD1 ILE 69 6.130 -1.081 -4.804 460 H GLN 70 H GLN 70 5.700 -3.390 -10.110 461 HA GLN 70 HA GLN 70 5.843 -0.769 -11.400 462 HB3 GLN 70 2HB GLN 70 4.358 -1.644 -13.060 463 HG3 GLN 70 2HG GLN 70 6.012 -4.060 -12.464 464 HE21 GLN 70 1HE2 GLN 70 6.254 -5.322 -14.199 465 HE22 GLN 70 2HE2 GLN 70 5.661 -4.957 -15.781 466 H LYS 71 H LYS 71 5.183 0.083 -9.192 467 HA LYS 71 HA LYS 71 2.296 -0.135 -8.731 468 HB3 LYS 71 2HB LYS 71 3.322 1.498 -6.746 469 HG3 LYS 71 2HG LYS 71 2.979 -1.492 -6.742 470 HD3 LYS 71 2HD LYS 71 4.379 -0.102 -4.864 471 HE3 LYS 71 2HE LYS 71 1.876 0.875 -4.465 472 HZ1 LYS 71 3HZ LYS 71 1.116 -1.372 -3.779 473 HZ2 LYS 71 1HZ LYS 71 0.925 -0.191 -2.582 474 HZ3 LYS 71 2HZ LYS 71 2.194 -1.304 -2.477 475 H GLU 72 H GLU 72 3.869 1.507 -10.824 476 HA GLU 72 HA GLU 72 2.734 4.139 -10.165 477 HB3 GLU 72 2HB GLU 72 5.098 4.285 -10.553 478 HG3 GLU 72 2HG GLU 72 4.534 2.680 -13.012 479 H SER 73 H SER 73 0.890 2.344 -10.965 480 HA SER 73 HA SER 73 0.089 3.418 -13.555 481 HB3 SER 73 2HB SER 73 0.608 0.524 -12.983 482 HG SER 73 HG SER 73 -0.764 0.311 -15.030 483 H THR 74 H THR 74 -1.137 0.693 -11.643 484 HA THR 74 HA THR 74 -3.480 2.307 -10.909 485 HB THR 74 HB THR 74 -4.058 -0.519 -11.526 486 HG1 THR 74 1HG THR 74 -3.813 -0.362 -13.670 487 HG21 THR 74 3HG2 THR 74 -5.751 1.322 -12.859 488 HG22 THR 74 1HG2 THR 74 -5.435 1.963 -11.247 489 HG23 THR 74 2HG2 THR 74 -6.109 0.345 -11.436 490 H LEU 75 H LEU 75 -3.378 2.389 -8.757 491 HA LEU 75 HA LEU 75 -3.062 -0.141 -7.295 492 HB3 LEU 75 2HB LEU 75 -2.088 1.921 -5.648 493 HG LEU 75 HG LEU 75 0.169 0.843 -5.985 494 HD11 LEU 75 1HD1 LEU 75 -1.115 -1.505 -5.253 495 HD12 LEU 75 2HD1 LEU 75 -2.241 -0.226 -4.800 496 HD13 LEU 75 3HD1 LEU 75 -0.589 -0.207 -4.180 497 HD21 LEU 75 3HD2 LEU 75 -0.359 0.062 -8.313 498 HD22 LEU 75 1HD2 LEU 75 -1.390 -1.172 -7.588 499 HD23 LEU 75 2HD2 LEU 75 0.342 -1.160 -7.251 500 H HIS 76 H HIS 76 -4.382 -0.423 -5.548 501 HA HIS 76 HA HIS 76 -6.158 1.807 -4.822 502 HB3 HIS 76 2HB HIS 76 -8.074 0.579 -5.093 503 HD1 HIS 76 1HD HIS 76 -6.929 -2.401 -6.729 504 HD2 HIS 76 2HD HIS 76 -7.312 1.595 -7.798 505 HE1 HIS 76 1HE HIS 76 -6.894 -2.371 -9.244 506 H LEU 77 H LEU 77 -5.569 2.299 -2.805 507 HA LEU 77 HA LEU 77 -5.422 0.111 -0.845 508 HB3 LEU 77 2HB LEU 77 -3.191 0.645 -0.984 509 HG LEU 77 HG LEU 77 -4.012 3.436 -1.619 510 HD11 LEU 77 1HD1 LEU 77 -1.743 4.233 -1.117 511 HD12 LEU 77 2HD1 LEU 77 -1.380 2.686 -0.352 512 HD13 LEU 77 3HD1 LEU 77 -2.614 3.743 0.336 513 HD21 LEU 77 3HD2 LEU 77 -3.425 2.294 -3.529 514 HD22 LEU 77 1HD2 LEU 77 -2.183 1.345 -2.711 515 HD23 LEU 77 2HD2 LEU 77 -1.889 3.043 -3.088 516 H VAL 78 H VAL 78 -7.407 0.419 0.056 517 HA VAL 78 HA VAL 78 -7.726 2.823 1.670 518 HB VAL 78 HB VAL 78 -9.981 1.907 -0.111 519 HG11 VAL 78 1HG1 VAL 78 -11.252 3.277 1.086 520 HG12 VAL 78 2HG1 VAL 78 -9.892 3.531 2.183 521 HG13 VAL 78 3HG1 VAL 78 -10.135 4.614 0.811 522 HG21 VAL 78 3HG2 VAL 78 -8.152 2.808 -1.475 523 HG22 VAL 78 1HG2 VAL 78 -9.558 3.872 -1.482 524 HG23 VAL 78 2HG2 VAL 78 -8.152 4.276 -0.498 525 H LEU 79 H LEU 79 -8.468 2.333 3.634 526 HA LEU 79 HA LEU 79 -9.740 -0.297 4.013 527 HB3 LEU 79 2HB LEU 79 -8.115 1.304 5.985 528 HG LEU 79 HG LEU 79 -9.711 -0.214 7.115 529 HD11 LEU 79 1HD1 LEU 79 -9.623 -2.561 6.843 530 HD12 LEU 79 2HD1 LEU 79 -8.187 -2.462 5.822 531 HD13 LEU 79 3HD1 LEU 79 -9.739 -1.878 5.220 532 HD21 LEU 79 3HD2 LEU 79 -7.146 -1.568 7.579 533 HD22 LEU 79 1HD2 LEU 79 -8.193 -0.696 8.700 534 HD23 LEU 79 2HD2 LEU 79 -7.088 0.193 7.652 535 H ARG 80 H ARG 80 -11.857 -0.083 4.304 536 HA ARG 80 HA ARG 80 -13.886 0.752 4.923 537 HB3 ARG 80 2HB ARG 80 -12.335 1.614 7.370 538 HG3 ARG 80 2HG ARG 80 -15.063 1.936 6.764 539 HD3 ARG 80 2HD ARG 80 -14.617 -0.096 8.946 540 HE ARG 80 HE ARG 80 -17.289 0.433 8.046 541 HH11 ARG 80 1HH1 ARG 80 -14.776 1.417 10.246 542 HH12 ARG 80 2HH1 ARG 80 -15.872 2.129 11.384 543 HH21 ARG 80 1HH2 ARG 80 -18.741 1.366 9.536 544 HH22 ARG 80 2HH2 ARG 80 -18.126 2.099 10.980 545 H LEU 81 H LEU 81 -13.543 2.361 3.151 546 HA LEU 81 HA LEU 81 -12.621 4.940 3.479 547 HB3 LEU 81 2HB LEU 81 -13.166 4.301 1.306 548 HG LEU 81 HG LEU 81 -15.649 3.952 0.641 549 HD11 LEU 81 1HD1 LEU 81 -14.887 1.926 0.169 550 HD12 LEU 81 2HD1 LEU 81 -14.955 1.464 1.869 551 HD13 LEU 81 3HD1 LEU 81 -13.505 2.230 1.221 552 HD21 LEU 81 3HD2 LEU 81 -15.737 2.938 3.477 553 HD22 LEU 81 1HD2 LEU 81 -17.031 2.891 2.281 554 HD23 LEU 81 2HD2 LEU 81 -16.493 4.437 2.937 555 H ARG 82 H ARG 82 -14.126 6.939 3.376 556 HA ARG 82 HA ARG 82 -16.204 6.685 5.448 557 HB3 ARG 82 2HB ARG 82 -14.299 9.007 5.105 558 HG3 ARG 82 2HG ARG 82 -16.695 9.219 6.231 559 HD3 ARG 82 2HD ARG 82 -16.179 7.366 7.831 560 HE ARG 82 HE ARG 82 -14.141 7.535 8.844 561 HH11 ARG 82 1HH1 ARG 82 -15.634 10.680 8.805 562 HH12 ARG 82 2HH1 ARG 82 -14.401 11.421 9.772 563 HH21 ARG 82 1HH2 ARG 82 -12.512 8.499 10.116 564 HH22 ARG 82 2HH2 ARG 82 -12.626 10.179 10.515 565 H GLY 83 H GLY 83 -14.993 8.693 2.773 566 HA2 GLY 83 2HA GLY 83 -17.380 8.854 1.382 567 HA3 GLY 83 3HA GLY 83 -17.390 10.205 2.506 568 H TYR 84 H TYR 84 -16.598 12.045 1.750 569 HA TYR 84 HA TYR 84 -14.195 12.218 0.249 570 HB3 TYR 84 2HB TYR 84 -15.774 11.398 -1.512 571 HD1 TYR 84 2HD TYR 84 -18.113 11.536 -0.283 572 HD2 TYR 84 1HD TYR 84 -16.418 14.667 -2.613 573 HE1 TYR 84 2HE TYR 84 -20.352 12.500 -0.606 574 HE2 TYR 84 1HE TYR 84 -18.652 15.640 -2.943 575 HH TYR 84 HH TYR 84 -21.036 14.825 -2.914 576 H ALA 85 H ALA 85 -13.405 14.295 0.178 577 HA ALA 85 HA ALA 85 -15.144 16.397 1.292 578 HB1 ALA 85 1HB ALA 85 -12.554 17.091 2.011 579 HB2 ALA 85 2HB ALA 85 -13.807 16.444 3.070 580 HB3 ALA 85 3HB ALA 85 -12.646 15.355 2.311 581 H ASP 86 H ASP 86 -14.183 18.633 0.892 582 HA ASP 86 HA ASP 86 -13.557 18.817 -1.942 583 HB3 ASP 86 2HB ASP 86 -14.298 21.026 -1.850 584 H LEU 87 H LEU 87 -11.412 17.742 -0.861 585 HA LEU 87 HA LEU 87 -9.165 17.935 -0.566 586 HB3 LEU 87 2HB LEU 87 -8.218 20.177 -1.537 587 HG LEU 87 HG LEU 87 -8.433 19.438 -3.869 588 HD11 LEU 87 1HD1 LEU 87 -7.937 17.090 -2.054 589 HD12 LEU 87 2HD1 LEU 87 -6.798 18.419 -2.267 590 HD13 LEU 87 3HD1 LEU 87 -7.231 17.400 -3.640 591 HD21 LEU 87 3HD2 LEU 87 -9.937 17.013 -3.099 592 HD22 LEU 87 1HD2 LEU 87 -9.937 17.920 -4.611 593 HD23 LEU 87 2HD2 LEU 87 -10.863 18.510 -3.231 594 H ARG 88 H ARG 88 -10.003 18.161 1.766 595 HA ARG 88 HA ARG 88 -9.754 20.731 3.005 596 HB3 ARG 88 2HB ARG 88 -9.807 17.978 4.254 597 HG3 ARG 88 2HG ARG 88 -10.647 20.547 5.556 598 HD3 ARG 88 2HD ARG 88 -10.316 19.194 7.604 599 HE ARG 88 HE ARG 88 -12.462 18.925 5.891 600 HH11 ARG 88 1HH1 ARG 88 -10.900 17.005 8.339 601 HH12 ARG 88 2HH1 ARG 88 -12.350 16.173 8.798 602 HH21 ARG 88 1HH2 ARG 88 -14.378 17.837 6.486 603 HH22 ARG 88 2HH2 ARG 88 -14.327 16.648 7.742 604 H GLU 89 H GLU 89 -7.743 21.595 2.702 605 HA GLU 89 HA GLU 89 -5.300 20.308 2.738 606 HB3 GLU 89 2HB GLU 89 -4.323 22.508 3.314 607 HG3 GLU 89 2HG GLU 89 -5.320 23.866 1.511 608 H ASP 90 H ASP 90 -3.879 19.646 4.269 609 HA ASP 90 HA ASP 90 -3.817 20.424 6.947 610 HB3 ASP 90 2HB ASP 90 -4.729 17.765 7.361 611 HA PRO 91 HA PRO 91 -1.226 16.383 6.469 612 HB3 PRO 91 2HB PRO 91 -2.523 14.681 5.633 613 HG3 PRO 91 2HG PRO 91 -4.200 15.104 4.079 614 HD3 PRO 91 2HD PRO 91 -4.724 16.688 5.668 615 H ASP 92 H ASP 92 -1.921 17.845 3.297 616 HA ASP 92 HA ASP 92 0.920 18.541 3.074 617 HB3 ASP 92 2HB ASP 92 -0.627 17.574 0.680 618 H ARG 93 H ARG 93 1.086 20.663 2.863 619 HA ARG 93 HA ARG 93 -1.072 22.387 2.396 620 HB3 ARG 93 2HB ARG 93 0.887 23.170 3.561 621 HG3 ARG 93 2HG ARG 93 2.414 22.944 0.978 622 HD3 ARG 93 2HD ARG 93 2.894 24.786 2.754 623 HE ARG 93 HE ARG 93 3.401 22.501 4.341 624 HH11 ARG 93 1HH1 ARG 93 4.695 25.637 3.563 625 HH12 ARG 93 2HH1 ARG 93 5.487 25.833 5.091 626 HH21 ARG 93 1HH2 ARG 93 4.439 22.747 6.357 627 HH22 ARG 93 2HH2 ARG 93 5.342 24.189 6.679 628 H GLN 94 H GLN 94 -0.642 24.213 0.577 629 HA GLN 94 HA GLN 94 -1.356 22.988 -1.862 630 HB3 GLN 94 2HB GLN 94 -2.121 25.228 -1.261 631 HG3 GLN 94 2HG GLN 94 0.467 26.466 -1.994 632 HE21 GLN 94 1HE2 GLN 94 0.673 28.536 -0.963 633 HE22 GLN 94 2HE2 GLN 94 -0.741 29.400 -0.476 634 H ASP 95 H ASP 95 -0.177 23.779 -3.962 635 HA ASP 95 HA ASP 95 2.675 23.959 -3.831 636 HB3 ASP 95 2HB ASP 95 1.728 21.458 -5.179 637 H HIS 96 H HIS 96 3.620 23.678 -6.128 638 HA HIS 96 HA HIS 96 1.682 24.484 -8.175 639 HB3 HIS 96 2HB HIS 96 2.585 26.569 -7.347 640 HD1 HIS 96 1HD HIS 96 4.223 26.834 -5.452 641 HD2 HIS 96 2HD HIS 96 6.004 25.431 -8.934 642 HE1 HIS 96 1HE HIS 96 6.698 26.904 -5.016 643 H HIS 97 H HIS 97 2.922 24.664 -10.378 644 HA HIS 97 HA HIS 97 5.104 22.768 -10.628 645 HB3 HIS 97 2HB HIS 97 2.369 22.269 -11.806 646 HD1 HIS 97 1HD HIS 97 3.356 22.502 -14.288 647 HD2 HIS 97 2HD HIS 97 4.919 19.420 -11.981 648 HE1 HIS 97 1HE HIS 97 4.486 20.952 -15.914 649 HA PRO 98 HA PRO 98 6.185 25.641 -13.793 650 HB3 PRO 98 2HB PRO 98 8.349 24.941 -13.468 651 HG3 PRO 98 2HG PRO 98 8.825 22.738 -12.900 652 HD3 PRO 98 2HD PRO 98 7.195 23.207 -11.340 653 H GLY 99 H GLY 99 4.099 25.468 -14.874 654 HA2 GLY 99 2HA GLY 99 4.340 23.970 -17.399 655 HA3 GLY 99 3HA GLY 99 2.859 23.869 -16.459 656 H SER 100 H SER 100 2.045 24.648 -18.626 657 HA SER 100 HA SER 100 1.113 26.278 -19.911 658 HB3 SER 100 2HB SER 100 0.446 26.927 -17.432 659 HG SER 100 HG SER 100 1.250 29.418 -17.753 660 H GLY 101 H GLY 101 4.063 25.948 -19.820 661 HA2 GLY 101 2HA GLY 101 4.860 28.666 -20.658 662 HA3 GLY 101 3HA GLY 101 5.970 27.457 -20.031 663 H ALA 102 H ALA 102 4.884 28.934 -22.784 664 HA ALA 102 HA ALA 102 6.236 26.981 -24.453 665 HB1 ALA 102 1HB ALA 102 3.325 27.358 -24.462 666 HB2 ALA 102 2HB ALA 102 4.088 27.410 -26.051 667 HB3 ALA 102 3HB ALA 102 4.298 25.996 -25.019 668 H GLN 103 H GLN 103 6.473 27.801 -26.724 669 HA GLN 103 HA GLN 103 7.336 30.532 -26.642 670 HB3 GLN 103 2HB GLN 103 7.796 30.023 -29.148 671 HG3 GLN 103 2HG GLN 103 9.463 29.907 -27.209 672 HE21 GLN 103 1HE2 GLN 103 10.302 26.950 -28.579 673 HE22 GLN 103 2HE2 GLN 103 10.077 25.954 -27.185 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -16.273 24.233 2.203 2 HA2 GLY 1 2HA GLY 1 -15.163 22.682 3.479 3 HA3 GLY 1 3HA GLY 1 -16.723 22.280 4.179 4 H SER 2 H SER 2 -16.084 22.004 0.756 5 HA SER 2 HA SER 2 -16.439 19.100 0.994 6 HB3 SER 2 2HB SER 2 -17.103 19.141 -1.353 7 HG SER 2 HG SER 2 -18.500 21.360 -0.502 8 H LEU 3 H LEU 3 -14.892 17.696 0.401 9 HA LEU 3 HA LEU 3 -12.239 18.607 -0.002 10 HB3 LEU 3 2HB LEU 3 -12.934 16.464 1.101 11 HG LEU 3 HG LEU 3 -14.308 15.796 -1.131 12 HD11 LEU 3 1HD1 LEU 3 -12.846 15.207 -2.723 13 HD12 LEU 3 2HD1 LEU 3 -12.676 13.723 -1.787 14 HD13 LEU 3 3HD1 LEU 3 -11.515 15.034 -1.579 15 HD21 LEU 3 3HD2 LEU 3 -13.194 14.332 1.175 16 HD22 LEU 3 1HD2 LEU 3 -13.786 13.345 -0.161 17 HD23 LEU 3 2HD2 LEU 3 -14.863 14.496 0.630 18 H VAL 4 H VAL 4 -11.152 19.050 -1.810 19 HA VAL 4 HA VAL 4 -12.327 18.212 -4.382 20 HB VAL 4 HB VAL 4 -11.226 20.326 -5.309 21 HG11 VAL 4 1HG1 VAL 4 -13.704 19.895 -4.838 22 HG12 VAL 4 2HG1 VAL 4 -13.476 20.906 -3.409 23 HG13 VAL 4 3HG1 VAL 4 -13.186 21.571 -5.017 24 HG21 VAL 4 3HG2 VAL 4 -9.879 20.741 -3.242 25 HG22 VAL 4 1HG2 VAL 4 -10.799 22.136 -3.809 26 HG23 VAL 4 2HG2 VAL 4 -11.374 21.200 -2.428 27 HA PRO 5 HA PRO 5 -8.454 16.447 -5.458 28 HB3 PRO 5 2HB PRO 5 -9.457 15.713 -7.391 29 HG3 PRO 5 2HG PRO 5 -11.015 17.029 -8.508 30 HD3 PRO 5 2HD PRO 5 -11.871 17.128 -6.370 31 H ARG 6 H ARG 6 -6.317 16.965 -5.720 32 HA ARG 6 HA ARG 6 -5.318 19.247 -7.007 33 HB3 ARG 6 2HB ARG 6 -5.701 19.497 -4.027 34 HG3 ARG 6 2HG ARG 6 -3.982 21.213 -5.805 35 HD3 ARG 6 2HD ARG 6 -4.886 21.523 -2.951 36 HE ARG 6 HE ARG 6 -2.801 22.411 -2.644 37 HH11 ARG 6 1HH1 ARG 6 -3.975 23.326 -5.792 38 HH12 ARG 6 2HH1 ARG 6 -2.662 24.411 -6.109 39 HH21 ARG 6 1HH2 ARG 6 -1.068 23.837 -3.051 40 HH22 ARG 6 2HH2 ARG 6 -1.008 24.700 -4.550 41 H GLY 7 H GLY 7 -3.078 19.251 -7.095 42 HA2 GLY 7 2HA GLY 7 -1.079 18.425 -5.650 43 HA3 GLY 7 3HA GLY 7 -1.824 16.860 -5.938 44 H SER 8 H SER 8 0.677 17.017 -6.732 45 HA SER 8 HA SER 8 0.779 17.843 -9.525 46 HB3 SER 8 2HB SER 8 3.014 16.523 -7.992 47 HG SER 8 HG SER 8 4.115 18.165 -9.431 48 H MET 9 H MET 9 0.795 14.933 -7.561 49 HA MET 9 HA MET 9 0.951 13.289 -9.990 50 HB3 MET 9 2HB MET 9 1.763 11.540 -8.703 51 HG3 MET 9 2HG MET 9 3.440 12.327 -7.173 52 HE1 MET 9 3HE MET 9 5.204 11.859 -8.436 53 HE2 MET 9 1HE MET 9 4.407 11.535 -9.976 54 HE3 MET 9 2HE MET 9 5.791 12.626 -9.912 55 H GLN 10 H GLN 10 -0.755 12.152 -10.694 56 HA GLN 10 HA GLN 10 -3.085 11.887 -8.919 57 HB3 GLN 10 2HB GLN 10 -4.413 12.144 -11.162 58 HG3 GLN 10 2HG GLN 10 -3.429 14.807 -10.527 59 HE21 GLN 10 1HE2 GLN 10 -5.177 13.964 -12.415 60 HE22 GLN 10 2HE2 GLN 10 -6.791 14.396 -11.974 61 H ILE 11 H ILE 11 -4.164 9.971 -9.007 62 HA ILE 11 HA ILE 11 -3.585 8.073 -11.134 63 HB ILE 11 HB ILE 11 -2.005 7.908 -8.944 64 HG13 ILE 11 2HG1 ILE 11 -1.689 6.637 -10.988 65 HG21 ILE 11 1HG2 ILE 11 -4.150 7.440 -7.622 66 HG22 ILE 11 2HG2 ILE 11 -4.114 5.851 -8.383 67 HG23 ILE 11 3HG2 ILE 11 -2.772 6.369 -7.362 68 HD11 ILE 11 3HD1 ILE 11 -1.142 5.592 -8.480 69 HD12 ILE 11 1HD1 ILE 11 -1.873 4.258 -9.373 70 HD13 ILE 11 2HD1 ILE 11 -0.451 5.079 -10.019 71 H PHE 12 H PHE 12 -4.838 5.952 -10.668 72 HA PHE 12 HA PHE 12 -7.526 6.734 -9.785 73 HB3 PHE 12 2HB PHE 12 -7.544 4.205 -11.101 74 HD1 PHE 12 1HD PHE 12 -9.876 5.025 -10.406 75 HD2 PHE 12 2HD PHE 12 -7.561 6.830 -13.488 76 HE1 PHE 12 1HE PHE 12 -11.916 6.031 -11.345 77 HE2 PHE 12 2HE PHE 12 -9.596 7.840 -14.431 78 HZ PHE 12 HZ PHE 12 -11.777 7.440 -13.360 79 H VAL 13 H VAL 13 -8.285 5.959 -7.937 80 HA VAL 13 HA VAL 13 -7.285 3.373 -6.957 81 HB VAL 13 HB VAL 13 -7.697 5.820 -5.235 82 HG11 VAL 13 1HG1 VAL 13 -7.865 4.403 -3.535 83 HG12 VAL 13 2HG1 VAL 13 -7.646 3.028 -4.620 84 HG13 VAL 13 3HG1 VAL 13 -6.242 3.815 -3.898 85 HG21 VAL 13 3HG2 VAL 13 -5.374 4.781 -6.663 86 HG22 VAL 13 1HG2 VAL 13 -5.646 6.367 -5.940 87 HG23 VAL 13 2HG2 VAL 13 -5.088 5.025 -4.941 88 H LYS 14 H LYS 14 -8.804 2.033 -6.156 89 HA LYS 14 HA LYS 14 -11.531 3.105 -5.841 90 HB3 LYS 14 2HB LYS 14 -12.297 0.796 -6.514 91 HG3 LYS 14 2HG LYS 14 -11.942 1.053 -8.902 92 HD3 LYS 14 2HD LYS 14 -12.803 3.309 -9.190 93 HE3 LYS 14 2HE LYS 14 -14.708 3.210 -7.732 94 HZ1 LYS 14 3HZ LYS 14 -15.474 1.112 -8.243 95 HZ2 LYS 14 1HZ LYS 14 -13.975 0.368 -7.988 96 HZ3 LYS 14 2HZ LYS 14 -14.232 1.301 -9.375 97 H THR 15 H THR 15 -12.561 2.698 -3.977 98 HA THR 15 HA THR 15 -11.111 1.237 -1.916 99 HB THR 15 HB THR 15 -12.471 2.296 -0.321 100 HG1 THR 15 1HG THR 15 -14.532 2.493 -0.711 101 HG21 THR 15 3HG2 THR 15 -11.574 4.304 -0.673 102 HG22 THR 15 1HG2 THR 15 -12.758 4.645 -1.935 103 HG23 THR 15 2HG2 THR 15 -11.244 3.837 -2.341 104 H LEU 16 H LEU 16 -12.856 0.184 -0.274 105 HA LEU 16 HA LEU 16 -13.861 -2.094 -1.703 106 HB3 LEU 16 2HB LEU 16 -14.532 -2.900 0.526 107 HG LEU 16 HG LEU 16 -12.044 -2.981 -0.255 108 HD11 LEU 16 1HD1 LEU 16 -12.108 -0.575 1.330 109 HD12 LEU 16 2HD1 LEU 16 -10.808 -1.235 0.338 110 HD13 LEU 16 3HD1 LEU 16 -10.989 -1.754 2.013 111 HD21 LEU 16 3HD2 LEU 16 -11.865 -4.540 1.327 112 HD22 LEU 16 1HD2 LEU 16 -13.459 -4.023 1.880 113 HD23 LEU 16 2HD2 LEU 16 -12.007 -3.352 2.624 114 H THR 17 H THR 17 -15.217 0.766 -0.208 115 HA THR 17 HA THR 17 -17.942 -0.150 -0.418 116 HB THR 17 HB THR 17 -16.845 1.661 1.204 117 HG1 THR 17 1HG THR 17 -19.475 1.561 0.140 118 HG21 THR 17 3HG2 THR 17 -17.202 3.901 0.544 119 HG22 THR 17 1HG2 THR 17 -18.114 3.418 -0.885 120 HG23 THR 17 2HG2 THR 17 -16.374 3.140 -0.813 121 H GLY 18 H GLY 18 -15.704 1.667 -2.368 122 HA2 GLY 18 2HA GLY 18 -16.233 1.610 -4.790 123 HA3 GLY 18 3HA GLY 18 -17.861 2.100 -4.343 124 H LYS 19 H LYS 19 -15.479 3.579 -2.450 125 HA LYS 19 HA LYS 19 -16.045 6.145 -3.638 126 HB3 LYS 19 2HB LYS 19 -13.950 6.274 -1.683 127 HG3 LYS 19 2HG LYS 19 -16.070 7.140 -0.323 128 HD3 LYS 19 2HD LYS 19 -14.946 8.670 -2.667 129 HE3 LYS 19 2HE LYS 19 -15.199 10.591 -1.129 130 HZ1 LYS 19 3HZ LYS 19 -17.845 9.314 -1.301 131 HZ2 LYS 19 1HZ LYS 19 -17.026 9.738 -2.719 132 HZ3 LYS 19 2HZ LYS 19 -17.416 10.926 -1.580 133 H THR 20 H THR 20 -14.509 7.587 -4.503 134 HA THR 20 HA THR 20 -12.089 6.270 -5.553 135 HB THR 20 HB THR 20 -12.428 8.426 -7.193 136 HG1 THR 20 1HG THR 20 -15.010 7.428 -6.504 137 HG21 THR 20 3HG2 THR 20 -13.216 6.826 -8.856 138 HG22 THR 20 1HG2 THR 20 -13.631 5.681 -7.581 139 HG23 THR 20 2HG2 THR 20 -11.944 6.110 -7.867 140 H ILE 21 H ILE 21 -10.175 7.110 -5.028 141 HA ILE 21 HA ILE 21 -10.054 9.893 -4.089 142 HB ILE 21 HB ILE 21 -8.349 9.152 -2.389 143 HG13 ILE 21 2HG1 ILE 21 -8.026 6.921 -1.850 144 HG21 ILE 21 1HG2 ILE 21 -11.259 8.536 -2.257 145 HG22 ILE 21 2HG2 ILE 21 -10.229 8.072 -0.903 146 HG23 ILE 21 3HG2 ILE 21 -10.323 9.761 -1.400 147 HD11 ILE 21 3HD1 ILE 21 -9.636 5.183 -3.078 148 HD12 ILE 21 1HD1 ILE 21 -9.954 5.821 -1.466 149 HD13 ILE 21 2HD1 ILE 21 -10.764 6.521 -2.867 150 H THR 22 H THR 22 -8.324 11.040 -4.776 151 HA THR 22 HA THR 22 -6.674 9.880 -6.829 152 HB THR 22 HB THR 22 -6.160 12.613 -5.726 153 HG1 THR 22 1HG THR 22 -8.040 13.354 -6.394 154 HG21 THR 22 3HG2 THR 22 -5.048 12.867 -7.644 155 HG22 THR 22 1HG2 THR 22 -6.443 12.345 -8.587 156 HG23 THR 22 2HG2 THR 22 -5.309 11.152 -7.954 157 H LEU 23 H LEU 23 -4.806 8.885 -6.493 158 HA LEU 23 HA LEU 23 -3.319 9.472 -4.022 159 HB3 LEU 23 2HB LEU 23 -2.210 7.182 -4.816 160 HG LEU 23 HG LEU 23 -3.954 5.871 -3.535 161 HD11 LEU 23 1HD1 LEU 23 -2.483 8.226 -2.413 162 HD12 LEU 23 2HD1 LEU 23 -2.082 6.513 -2.313 163 HD13 LEU 23 3HD1 LEU 23 -3.429 7.160 -1.374 164 HD21 LEU 23 3HD2 LEU 23 -5.639 7.101 -2.327 165 HD22 LEU 23 1HD2 LEU 23 -5.841 7.385 -4.056 166 HD23 LEU 23 2HD2 LEU 23 -5.094 8.620 -3.041 167 H GLU 24 H GLU 24 -0.995 9.489 -4.130 168 HA GLU 24 HA GLU 24 -0.042 10.555 -6.687 169 HB3 GLU 24 2HB GLU 24 0.233 11.937 -4.643 170 HG3 GLU 24 2HG GLU 24 1.647 9.532 -3.692 171 H VAL 25 H VAL 25 1.945 9.877 -7.592 172 HA VAL 25 HA VAL 25 2.953 7.290 -6.612 173 HB VAL 25 HB VAL 25 3.353 6.774 -9.113 174 HG11 VAL 25 1HG1 VAL 25 1.701 5.701 -7.502 175 HG12 VAL 25 2HG1 VAL 25 0.478 6.734 -8.242 176 HG13 VAL 25 3HG1 VAL 25 1.347 5.553 -9.223 177 HG21 VAL 25 3HG2 VAL 25 2.718 9.073 -9.854 178 HG22 VAL 25 1HG2 VAL 25 1.851 7.779 -10.682 179 HG23 VAL 25 2HG2 VAL 25 1.053 8.700 -9.406 180 H GLU 26 H GLU 26 5.145 6.876 -6.956 181 HA GLU 26 HA GLU 26 6.896 8.430 -8.481 182 HB3 GLU 26 2HB GLU 26 7.802 9.252 -5.922 183 HG3 GLU 26 2HG GLU 26 6.780 10.652 -8.350 184 HA PRO 27 HA PRO 27 9.456 5.012 -7.440 185 HB3 PRO 27 2HB PRO 27 10.646 5.508 -9.341 186 HG3 PRO 27 2HG PRO 27 10.972 7.711 -10.010 187 HD3 PRO 27 2HD PRO 27 8.693 7.733 -9.673 188 H SER 28 H SER 28 10.204 8.198 -6.171 189 HA SER 28 HA SER 28 11.803 6.988 -4.026 190 HB3 SER 28 2HB SER 28 13.122 8.790 -4.196 191 HG SER 28 HG SER 28 11.476 10.127 -6.013 192 H ASP 29 H ASP 29 8.713 8.088 -4.674 193 HA ASP 29 HA ASP 29 8.203 8.864 -1.890 194 HB3 ASP 29 2HB ASP 29 6.028 9.005 -3.902 195 H THR 30 H THR 30 7.858 7.103 -0.679 196 HA THR 30 HA THR 30 6.443 4.807 -1.740 197 HB THR 30 HB THR 30 8.398 4.516 -0.235 198 HG1 THR 30 1HG THR 30 7.328 2.928 1.095 199 HG21 THR 30 3HG2 THR 30 7.025 6.408 1.349 200 HG22 THR 30 1HG2 THR 30 8.565 5.623 1.690 201 HG23 THR 30 2HG2 THR 30 7.062 4.902 2.265 202 H ILE 31 H ILE 31 4.777 3.784 -0.177 203 HA ILE 31 HA ILE 31 2.473 5.306 -0.163 204 HB ILE 31 HB ILE 31 3.242 2.884 1.446 205 HG13 ILE 31 2HG1 ILE 31 1.580 3.441 -0.996 206 HG21 ILE 31 1HG2 ILE 31 0.685 2.782 1.863 207 HG22 ILE 31 2HG2 ILE 31 1.690 3.792 2.901 208 HG23 ILE 31 3HG2 ILE 31 0.748 4.525 1.603 209 HD11 ILE 31 3HD1 ILE 31 3.837 1.585 -0.347 210 HD12 ILE 31 1HD1 ILE 31 2.776 1.312 -1.730 211 HD13 ILE 31 2HD1 ILE 31 3.727 2.795 -1.626 212 H GLU 32 H GLU 32 5.011 5.132 2.218 213 HA GLU 32 HA GLU 32 3.760 6.097 4.483 214 HB3 GLU 32 2HB GLU 32 6.516 6.937 3.584 215 HG3 GLU 32 2HG GLU 32 5.504 6.320 6.346 216 H ASN 33 H ASN 33 5.359 8.026 1.946 217 HA ASN 33 HA ASN 33 4.359 10.494 3.035 218 HB3 ASN 33 2HB ASN 33 5.529 10.212 0.281 219 HD21 ASN 33 1HD2 ASN 33 4.052 12.174 0.310 220 HD22 ASN 33 2HD2 ASN 33 4.776 13.663 0.804 221 H VAL 34 H VAL 34 3.589 8.398 0.301 222 HA VAL 34 HA VAL 34 1.800 9.996 -1.076 223 HB VAL 34 HB VAL 34 1.614 7.011 -0.645 224 HG11 VAL 34 1HG1 VAL 34 0.038 8.908 -2.241 225 HG12 VAL 34 2HG1 VAL 34 0.591 7.477 -3.112 226 HG13 VAL 34 3HG1 VAL 34 -0.378 7.300 -1.649 227 HG21 VAL 34 3HG2 VAL 34 3.576 8.543 -1.951 228 HG22 VAL 34 1HG2 VAL 34 3.360 6.793 -2.001 229 HG23 VAL 34 2HG2 VAL 34 2.592 7.812 -3.219 230 H LYS 35 H LYS 35 1.332 8.159 1.874 231 HA LYS 35 HA LYS 35 -1.420 8.100 2.068 232 HB3 LYS 35 2HB LYS 35 0.383 7.165 3.665 233 HG3 LYS 35 2HG LYS 35 1.039 9.687 4.207 234 HD3 LYS 35 2HD LYS 35 -1.295 9.041 5.947 235 HE3 LYS 35 2HE LYS 35 -0.353 10.857 7.502 236 HZ1 LYS 35 3HZ LYS 35 1.107 8.291 7.660 237 HZ2 LYS 35 1HZ LYS 35 -0.553 8.384 7.974 238 HZ3 LYS 35 2HZ LYS 35 0.536 9.259 8.925 239 H ALA 36 H ALA 36 0.741 10.800 2.407 240 HA ALA 36 HA ALA 36 -1.021 12.554 3.765 241 HB1 ALA 36 1HB ALA 36 1.488 12.795 3.503 242 HB2 ALA 36 2HB ALA 36 1.161 13.411 1.883 243 HB3 ALA 36 3HB ALA 36 0.533 14.263 3.293 244 H LYS 37 H LYS 37 -0.259 12.112 0.322 245 HA LYS 37 HA LYS 37 -1.856 14.142 -0.715 246 HB3 LYS 37 2HB LYS 37 -2.032 12.313 -2.681 247 HG3 LYS 37 2HG LYS 37 0.617 12.946 -2.933 248 HD3 LYS 37 2HD LYS 37 -1.715 13.565 -4.193 249 HE3 LYS 37 2HE LYS 37 -1.675 15.598 -2.503 250 HZ1 LYS 37 3HZ LYS 37 0.279 16.322 -4.583 251 HZ2 LYS 37 1HZ LYS 37 0.322 16.633 -2.919 252 HZ3 LYS 37 2HZ LYS 37 -0.721 17.515 -3.917 253 H ILE 38 H ILE 38 -2.680 10.724 -0.158 254 HA ILE 38 HA ILE 38 -5.400 11.044 -0.958 255 HB ILE 38 HB ILE 38 -4.452 8.862 -1.147 256 HG13 ILE 38 2HG1 ILE 38 -6.280 7.711 -0.441 257 HG21 ILE 38 1HG2 ILE 38 -2.706 8.878 0.440 258 HG22 ILE 38 2HG2 ILE 38 -3.821 9.153 1.777 259 HG23 ILE 38 3HG2 ILE 38 -3.804 7.596 0.949 260 HD11 ILE 38 3HD1 ILE 38 -5.964 8.987 2.261 261 HD12 ILE 38 1HD1 ILE 38 -7.296 7.919 1.819 262 HD13 ILE 38 2HD1 ILE 38 -5.640 7.312 1.817 263 H GLN 39 H GLN 39 -3.667 11.325 2.055 264 HA GLN 39 HA GLN 39 -5.713 11.061 3.902 265 HB3 GLN 39 2HB GLN 39 -4.167 13.135 4.903 266 HG3 GLN 39 2HG GLN 39 -3.376 10.240 5.029 267 HE21 GLN 39 1HE2 GLN 39 -3.594 10.378 7.886 268 HE22 GLN 39 2HE2 GLN 39 -2.250 11.304 8.451 269 H ASP 40 H ASP 40 -4.981 13.705 1.744 270 HA ASP 40 HA ASP 40 -6.715 15.595 3.021 271 HB3 ASP 40 2HB ASP 40 -6.379 16.406 0.369 272 H LYS 41 H LYS 41 -7.076 13.108 0.632 273 HA LYS 41 HA LYS 41 -9.540 14.055 -0.465 274 HB3 LYS 41 2HB LYS 41 -9.673 11.587 -1.246 275 HG3 LYS 41 2HG LYS 41 -8.759 13.579 -2.573 276 HD3 LYS 41 2HD LYS 41 -6.159 12.564 -2.902 277 HE3 LYS 41 2HE LYS 41 -5.480 14.790 -2.114 278 HZ1 LYS 41 3HZ LYS 41 -6.326 15.873 -3.894 279 HZ2 LYS 41 1HZ LYS 41 -7.917 15.372 -3.609 280 HZ3 LYS 41 2HZ LYS 41 -6.811 14.312 -4.327 281 H GLU 42 H GLU 42 -8.758 11.359 1.739 282 HA GLU 42 HA GLU 42 -11.466 11.632 2.865 283 HB3 GLU 42 2HB GLU 42 -11.633 9.622 1.693 284 HG3 GLU 42 2HG GLU 42 -8.916 8.799 2.690 285 H GLY 43 H GLY 43 -8.096 10.760 3.410 286 HA2 GLY 43 2HA GLY 43 -6.905 11.415 5.355 287 HA3 GLY 43 3HA GLY 43 -8.429 11.511 6.224 288 H ILE 44 H ILE 44 -7.581 8.775 4.222 289 HA ILE 44 HA ILE 44 -7.896 6.999 6.467 290 HB ILE 44 HB ILE 44 -7.193 6.446 3.584 291 HG13 ILE 44 2HG1 ILE 44 -9.489 5.663 3.403 292 HG21 ILE 44 1HG2 ILE 44 -6.571 4.412 4.218 293 HG22 ILE 44 2HG2 ILE 44 -6.977 4.765 5.897 294 HG23 ILE 44 3HG2 ILE 44 -8.211 4.135 4.806 295 HD11 ILE 44 3HD1 ILE 44 -10.660 5.018 5.158 296 HD12 ILE 44 1HD1 ILE 44 -9.427 5.641 6.254 297 HD13 ILE 44 2HD1 ILE 44 -10.728 6.695 5.698 298 HA PRO 45 HA PRO 45 -3.588 6.988 7.548 299 HB3 PRO 45 2HB PRO 45 -4.297 6.644 9.706 300 HG3 PRO 45 2HG PRO 45 -6.251 5.465 10.153 301 HD3 PRO 45 2HD PRO 45 -7.039 6.956 8.581 302 HA PRO 46 HA PRO 46 -2.066 3.765 4.909 303 HB3 PRO 46 2HB PRO 46 -0.320 5.185 4.451 304 HG3 PRO 46 2HG PRO 46 0.476 6.665 6.060 305 HD3 PRO 46 2HD PRO 46 -1.780 7.121 6.181 306 H ASP 47 H ASP 47 -1.572 3.919 8.339 307 HA ASP 47 HA ASP 47 -0.147 1.513 8.703 308 HB3 ASP 47 2HB ASP 47 -1.117 1.630 11.049 309 H GLN 48 H GLN 48 -3.567 2.226 8.372 310 HA GLN 48 HA GLN 48 -4.179 -0.634 8.677 311 HB3 GLN 48 2HB GLN 48 -6.473 0.016 9.092 312 HG3 GLN 48 2HG GLN 48 -4.447 1.564 10.661 313 HE21 GLN 48 1HE2 GLN 48 -5.114 2.531 12.611 314 HE22 GLN 48 2HE2 GLN 48 -6.719 3.135 12.809 315 H GLN 49 H GLN 49 -4.170 2.024 6.464 316 HA GLN 49 HA GLN 49 -6.001 1.165 4.552 317 HB3 GLN 49 2HB GLN 49 -3.388 2.613 4.084 318 HG3 GLN 49 2HG GLN 49 -5.752 2.120 2.362 319 HE21 GLN 49 1HE2 GLN 49 -3.064 4.355 1.956 320 HE22 GLN 49 2HE2 GLN 49 -4.030 5.732 1.557 321 H ARG 50 H ARG 50 -6.083 -0.666 3.448 322 HA ARG 50 HA ARG 50 -3.829 -2.429 3.270 323 HB3 ARG 50 2HB ARG 50 -6.008 -3.404 3.517 324 HG3 ARG 50 2HG ARG 50 -6.738 -1.999 0.959 325 HD3 ARG 50 2HD ARG 50 -7.508 -4.398 1.114 326 HE ARG 50 HE ARG 50 -8.492 -3.571 3.650 327 HH11 ARG 50 1HH1 ARG 50 -9.224 -5.578 0.901 328 HH12 ARG 50 2HH1 ARG 50 -10.201 -6.687 1.807 329 HH21 ARG 50 1HH2 ARG 50 -9.775 -5.024 4.852 330 HH22 ARG 50 2HH2 ARG 50 -10.515 -6.370 4.054 331 H LEU 51 H LEU 51 -2.919 -3.252 1.294 332 HA LEU 51 HA LEU 51 -3.016 -1.307 -0.917 333 HB3 LEU 51 2HB LEU 51 -0.621 -2.344 -1.316 334 HG LEU 51 HG LEU 51 -0.849 0.031 -0.903 335 HD11 LEU 51 1HD1 LEU 51 -0.784 0.825 1.490 336 HD12 LEU 51 2HD1 LEU 51 -1.219 -0.818 1.958 337 HD13 LEU 51 3HD1 LEU 51 -2.313 0.131 0.951 338 HD21 LEU 51 3HD2 LEU 51 1.384 -0.376 -0.860 339 HD22 LEU 51 1HD2 LEU 51 1.258 -1.556 0.444 340 HD23 LEU 51 2HD2 LEU 51 1.191 0.169 0.807 341 H ILE 52 H ILE 52 -3.511 -2.072 -2.874 342 HA ILE 52 HA ILE 52 -3.317 -4.973 -3.337 343 HB ILE 52 HB ILE 52 -5.643 -3.159 -3.927 344 HG13 ILE 52 2HG1 ILE 52 -5.264 -5.771 -2.464 345 HG21 ILE 52 1HG2 ILE 52 -5.553 -4.171 -5.979 346 HG22 ILE 52 2HG2 ILE 52 -4.776 -5.624 -5.352 347 HG23 ILE 52 3HG2 ILE 52 -6.500 -5.360 -5.086 348 HD11 ILE 52 3HD1 ILE 52 -6.878 -4.146 -0.962 349 HD12 ILE 52 1HD1 ILE 52 -5.150 -4.401 -0.719 350 HD13 ILE 52 2HD1 ILE 52 -5.714 -3.017 -1.656 351 H PHE 53 H PHE 53 -1.983 -5.363 -4.964 352 HA PHE 53 HA PHE 53 -1.988 -3.536 -7.269 353 HB3 PHE 53 2HB PHE 53 0.371 -4.618 -5.749 354 HD1 PHE 53 2HD PHE 53 -0.491 -3.035 -9.013 355 HD2 PHE 53 1HD PHE 53 2.339 -5.262 -6.743 356 HE1 PHE 53 2HE PHE 53 0.919 -3.280 -11.015 357 HE2 PHE 53 1HE PHE 53 3.753 -5.509 -8.741 358 HZ PHE 53 HZ PHE 53 3.043 -4.519 -10.881 359 H ALA 54 H ALA 54 -2.592 -4.588 -9.031 360 HA ALA 54 HA ALA 54 -2.950 -6.233 -10.562 361 HB1 ALA 54 1HB ALA 54 -1.132 -7.878 -10.881 362 HB2 ALA 54 2HB ALA 54 -0.549 -6.216 -10.783 363 HB3 ALA 54 3HB ALA 54 -0.380 -7.294 -9.397 364 H GLY 55 H GLY 55 -4.107 -6.487 -7.872 365 HA2 GLY 55 2HA GLY 55 -5.656 -8.049 -7.078 366 HA3 GLY 55 3HA GLY 55 -4.914 -9.270 -8.102 367 H LYS 56 H LYS 56 -2.291 -8.092 -6.795 368 HA LYS 56 HA LYS 56 -2.333 -10.008 -4.579 369 HB3 LYS 56 2HB LYS 56 -0.527 -9.723 -6.574 370 HG3 LYS 56 2HG LYS 56 0.829 -8.427 -4.230 371 HD3 LYS 56 2HD LYS 56 1.732 -8.349 -7.077 372 HE3 LYS 56 2HE LYS 56 3.303 -8.626 -4.524 373 HZ1 LYS 56 3HZ LYS 56 3.950 -8.275 -7.317 374 HZ2 LYS 56 1HZ LYS 56 4.893 -8.894 -6.056 375 HZ3 LYS 56 2HZ LYS 56 4.768 -7.221 -6.276 376 H GLN 57 H GLN 57 -2.006 -9.432 -2.494 377 HA GLN 57 HA GLN 57 -1.949 -6.561 -1.921 378 HB3 GLN 57 2HB GLN 57 -2.750 -8.962 -0.286 379 HG3 GLN 57 2HG GLN 57 -2.301 -6.146 0.618 380 HE21 GLN 57 1HE2 GLN 57 -3.976 -9.130 1.560 381 HE22 GLN 57 2HE2 GLN 57 -5.196 -8.350 2.500 382 H LEU 58 H LEU 58 -0.478 -5.640 -0.490 383 HA LEU 58 HA LEU 58 1.857 -7.312 0.169 384 HB3 LEU 58 2HB LEU 58 2.598 -5.912 -1.553 385 HG LEU 58 HG LEU 58 0.956 -3.754 -0.321 386 HD11 LEU 58 1HD1 LEU 58 3.023 -2.656 -0.210 387 HD12 LEU 58 2HD1 LEU 58 2.317 -2.136 -1.739 388 HD13 LEU 58 3HD1 LEU 58 3.580 -3.366 -1.726 389 HD21 LEU 58 3HD2 LEU 58 0.899 -3.280 -2.916 390 HD22 LEU 58 1HD2 LEU 58 -0.100 -4.539 -2.189 391 HD23 LEU 58 2HD2 LEU 58 1.407 -4.968 -2.998 392 H GLU 59 H GLU 59 3.305 -5.810 1.768 393 HA GLU 59 HA GLU 59 1.608 -4.571 3.788 394 HB3 GLU 59 2HB GLU 59 2.416 -5.951 5.592 395 HG3 GLU 59 2HG GLU 59 1.517 -7.688 3.305 396 H ASP 60 H ASP 60 4.874 -5.505 2.799 397 HA ASP 60 HA ASP 60 6.384 -3.936 4.490 398 HB3 ASP 60 2HB ASP 60 7.236 -4.024 1.643 399 H GLY 61 H GLY 61 7.271 -1.845 4.357 400 HA2 GLY 61 2HA GLY 61 5.702 0.004 2.669 401 HA3 GLY 61 3HA GLY 61 6.273 0.401 4.283 402 H ARG 62 H ARG 62 7.349 -0.339 0.995 403 HA ARG 62 HA ARG 62 9.686 1.385 1.478 404 HB3 ARG 62 2HB ARG 62 11.038 -0.060 0.051 405 HG3 ARG 62 2HG ARG 62 10.706 -2.302 1.410 406 HD3 ARG 62 2HD ARG 62 11.725 0.335 2.429 407 HE ARG 62 HE ARG 62 11.275 -1.787 4.102 408 HH11 ARG 62 1HH1 ARG 62 14.077 -0.078 2.940 409 HH12 ARG 62 2HH1 ARG 62 15.011 -0.373 4.370 410 HH21 ARG 62 1HH2 ARG 62 12.496 -2.183 5.988 411 HH22 ARG 62 2HH2 ARG 62 14.111 -1.571 6.102 412 H THR 63 H THR 63 10.672 2.134 -0.646 413 HA THR 63 HA THR 63 8.595 3.365 -2.198 414 HB THR 63 HB THR 63 10.342 4.563 -3.335 415 HG1 THR 63 1HG THR 63 12.254 3.702 -3.602 416 HG21 THR 63 3HG2 THR 63 9.906 5.439 -1.161 417 HG22 THR 63 1HG2 THR 63 11.656 5.446 -1.375 418 HG23 THR 63 2HG2 THR 63 10.892 4.195 -0.393 419 H LEU 64 H LEU 64 8.489 3.292 -4.544 420 HA LEU 64 HA LEU 64 8.218 0.726 -5.570 421 HB3 LEU 64 2HB LEU 64 7.822 1.726 -7.678 422 HG LEU 64 HG LEU 64 7.060 3.917 -5.751 423 HD11 LEU 64 1HD1 LEU 64 6.142 4.862 -7.532 424 HD12 LEU 64 2HD1 LEU 64 5.113 3.444 -7.728 425 HD13 LEU 64 3HD1 LEU 64 6.668 3.525 -8.554 426 HD21 LEU 64 3HD2 LEU 64 5.797 1.253 -6.328 427 HD22 LEU 64 1HD2 LEU 64 4.865 2.619 -5.713 428 HD23 LEU 64 2HD2 LEU 64 6.203 1.968 -4.767 429 H SER 65 H SER 65 10.909 3.004 -5.880 430 HA SER 65 HA SER 65 12.438 1.341 -7.619 431 HB3 SER 65 2HB SER 65 13.647 3.452 -5.852 432 HG SER 65 HG SER 65 14.828 3.813 -7.805 433 H GLU 66 H GLU 66 12.114 1.650 -4.164 434 HA GLU 66 HA GLU 66 14.490 0.198 -3.508 435 HB3 GLU 66 2HB GLU 66 13.144 -0.027 -1.251 436 HG3 GLU 66 2HG GLU 66 14.118 2.611 -2.316 437 H TYR 67 H TYR 67 11.067 -0.615 -3.835 438 HA TYR 67 HA TYR 67 11.613 -3.410 -3.212 439 HB3 TYR 67 2HB TYR 67 8.912 -2.601 -4.116 440 HD1 TYR 67 1HD TYR 67 8.866 -5.128 -4.269 441 HD2 TYR 67 2HD TYR 67 9.460 -3.061 -0.598 442 HE1 TYR 67 1HE TYR 67 8.239 -7.159 -3.031 443 HE2 TYR 67 2HE TYR 67 8.835 -5.086 0.650 444 HH TYR 67 HH TYR 67 8.010 -8.103 -1.036 445 H ASN 68 H ASN 68 11.845 -1.494 -5.868 446 HA ASN 68 HA ASN 68 12.063 -1.897 -8.096 447 HB3 ASN 68 2HB ASN 68 11.843 -4.844 -7.503 448 HD21 ASN 68 1HD2 ASN 68 14.194 -2.662 -8.994 449 HD22 ASN 68 2HD2 ASN 68 14.162 -3.410 -10.550 450 H ILE 69 H ILE 69 9.375 -2.027 -6.567 451 HA ILE 69 HA ILE 69 7.728 -3.496 -8.464 452 HB ILE 69 HB ILE 69 5.836 -2.834 -7.045 453 HG13 ILE 69 2HG1 ILE 69 6.652 -0.638 -6.334 454 HG21 ILE 69 1HG2 ILE 69 7.439 -3.741 -4.866 455 HG22 ILE 69 2HG2 ILE 69 6.295 -4.648 -5.855 456 HG23 ILE 69 3HG2 ILE 69 7.984 -4.527 -6.347 457 HD11 ILE 69 3HD1 ILE 69 6.619 -1.754 -3.667 458 HD12 ILE 69 1HD1 ILE 69 5.485 -0.652 -4.449 459 HD13 ILE 69 2HD1 ILE 69 5.322 -2.394 -4.674 460 H GLN 70 H GLN 70 5.848 -2.448 -9.466 461 HA GLN 70 HA GLN 70 6.335 0.389 -10.086 462 HB3 GLN 70 2HB GLN 70 5.396 -0.201 -12.398 463 HG3 GLN 70 2HG GLN 70 8.027 -1.522 -11.819 464 HE21 GLN 70 1HE2 GLN 70 9.528 -1.193 -13.579 465 HE22 GLN 70 2HE2 GLN 70 8.930 -1.068 -15.195 466 H LYS 71 H LYS 71 4.684 1.609 -9.488 467 HA LYS 71 HA LYS 71 1.969 0.474 -9.620 468 HB3 LYS 71 2HB LYS 71 1.362 1.573 -7.601 469 HG3 LYS 71 2HG LYS 71 2.955 0.786 -5.914 470 HD3 LYS 71 2HD LYS 71 2.208 -0.981 -8.210 471 HE3 LYS 71 2HE LYS 71 4.385 -1.549 -6.571 472 HZ1 LYS 71 3HZ LYS 71 3.353 -2.240 -4.688 473 HZ2 LYS 71 1HZ LYS 71 3.255 -3.684 -5.563 474 HZ3 LYS 71 2HZ LYS 71 1.914 -2.657 -5.473 475 H GLU 72 H GLU 72 3.870 2.468 -11.181 476 HA GLU 72 HA GLU 72 2.336 4.891 -11.226 477 HB3 GLU 72 2HB GLU 72 4.691 5.010 -11.717 478 HG3 GLU 72 2HG GLU 72 4.090 2.862 -13.645 479 H SER 73 H SER 73 0.384 3.274 -11.578 480 HA SER 73 HA SER 73 -0.529 3.757 -14.254 481 HB3 SER 73 2HB SER 73 0.055 0.939 -13.341 482 HG SER 73 HG SER 73 -1.074 0.534 -15.483 483 H THR 74 H THR 74 -1.583 1.070 -12.254 484 HA THR 74 HA THR 74 -3.861 2.649 -11.291 485 HB THR 74 HB THR 74 -4.556 -0.104 -12.056 486 HG1 THR 74 1HG THR 74 -4.418 1.762 -14.167 487 HG21 THR 74 3HG2 THR 74 -5.893 2.208 -11.388 488 HG22 THR 74 1HG2 THR 74 -6.619 0.773 -12.111 489 HG23 THR 74 2HG2 THR 74 -6.112 2.116 -13.135 490 H LEU 75 H LEU 75 -3.634 2.566 -9.149 491 HA LEU 75 HA LEU 75 -3.290 -0.072 -7.900 492 HB3 LEU 75 2HB LEU 75 -2.164 1.983 -6.252 493 HG LEU 75 HG LEU 75 -0.032 0.680 -6.519 494 HD11 LEU 75 1HD1 LEU 75 -1.173 -1.468 -5.523 495 HD12 LEU 75 2HD1 LEU 75 -2.602 -0.435 -5.519 496 HD13 LEU 75 3HD1 LEU 75 -1.158 0.053 -4.632 497 HD21 LEU 75 3HD2 LEU 75 -1.741 -1.291 -8.016 498 HD22 LEU 75 1HD2 LEU 75 -0.004 -1.357 -7.713 499 HD23 LEU 75 2HD2 LEU 75 -0.661 -0.152 -8.822 500 H HIS 76 H HIS 76 -4.672 -0.506 -6.286 501 HA HIS 76 HA HIS 76 -6.325 1.713 -5.270 502 HB3 HIS 76 2HB HIS 76 -8.239 0.416 -5.370 503 HD1 HIS 76 1HD HIS 76 -7.892 1.736 -7.764 504 HD2 HIS 76 2HD HIS 76 -7.093 -2.340 -7.679 505 HE1 HIS 76 1HE HIS 76 -7.955 0.988 -10.165 506 H LEU 77 H LEU 77 -5.553 2.160 -3.298 507 HA LEU 77 HA LEU 77 -5.330 -0.066 -1.389 508 HB3 LEU 77 2HB LEU 77 -3.087 0.453 -1.847 509 HG LEU 77 HG LEU 77 -3.950 3.248 -2.088 510 HD11 LEU 77 1HD1 LEU 77 -2.265 4.306 -1.003 511 HD12 LEU 77 2HD1 LEU 77 -1.157 2.943 -1.158 512 HD13 LEU 77 3HD1 LEU 77 -2.425 2.913 0.067 513 HD21 LEU 77 3HD2 LEU 77 -2.863 3.007 -4.009 514 HD22 LEU 77 1HD2 LEU 77 -2.539 1.331 -3.567 515 HD23 LEU 77 2HD2 LEU 77 -1.371 2.589 -3.164 516 H VAL 78 H VAL 78 -7.249 0.326 -0.367 517 HA VAL 78 HA VAL 78 -7.328 2.702 1.318 518 HB VAL 78 HB VAL 78 -9.878 2.002 -0.065 519 HG11 VAL 78 1HG1 VAL 78 -9.814 4.684 0.171 520 HG12 VAL 78 2HG1 VAL 78 -10.393 3.604 1.441 521 HG13 VAL 78 3HG1 VAL 78 -8.745 4.231 1.499 522 HG21 VAL 78 3HG2 VAL 78 -7.714 3.741 -1.248 523 HG22 VAL 78 1HG2 VAL 78 -8.344 2.236 -1.917 524 HG23 VAL 78 2HG2 VAL 78 -9.377 3.662 -1.829 525 H LEU 79 H LEU 79 -8.589 2.463 3.188 526 HA LEU 79 HA LEU 79 -9.071 -0.311 3.928 527 HB3 LEU 79 2HB LEU 79 -9.132 2.230 5.549 528 HG LEU 79 HG LEU 79 -10.454 0.709 6.804 529 HD11 LEU 79 1HD1 LEU 79 -9.950 -1.328 5.583 530 HD12 LEU 79 2HD1 LEU 79 -9.722 -1.573 7.314 531 HD13 LEU 79 3HD1 LEU 79 -8.322 -1.354 6.262 532 HD21 LEU 79 3HD2 LEU 79 -9.276 1.446 8.543 533 HD22 LEU 79 1HD2 LEU 79 -7.763 1.384 7.638 534 HD23 LEU 79 2HD2 LEU 79 -8.362 -0.060 8.455 535 H ARG 80 H ARG 80 -11.018 -1.212 3.944 536 HA ARG 80 HA ARG 80 -13.285 -0.689 2.914 537 HB3 ARG 80 2HB ARG 80 -13.401 -1.222 5.880 538 HG3 ARG 80 2HG ARG 80 -15.016 -2.511 3.705 539 HD3 ARG 80 2HD ARG 80 -15.794 -2.112 6.566 540 HE ARG 80 HE ARG 80 -17.548 -3.236 5.613 541 HH11 ARG 80 1HH1 ARG 80 -14.556 -4.666 4.552 542 HH12 ARG 80 2HH1 ARG 80 -15.323 -6.014 3.779 543 HH21 ARG 80 1HH2 ARG 80 -18.569 -5.006 4.599 544 HH22 ARG 80 2HH2 ARG 80 -17.605 -6.206 3.806 545 H LEU 81 H LEU 81 -14.220 1.190 2.439 546 HA LEU 81 HA LEU 81 -14.279 3.359 4.359 547 HB3 LEU 81 2HB LEU 81 -15.785 4.170 2.210 548 HG LEU 81 HG LEU 81 -14.112 5.663 2.832 549 HD11 LEU 81 1HD1 LEU 81 -12.216 3.351 2.531 550 HD12 LEU 81 2HD1 LEU 81 -12.578 4.294 3.977 551 HD13 LEU 81 3HD1 LEU 81 -11.665 5.021 2.654 552 HD21 LEU 81 3HD2 LEU 81 -14.071 6.165 0.644 553 HD22 LEU 81 1HD2 LEU 81 -13.851 4.485 0.156 554 HD23 LEU 81 2HD2 LEU 81 -12.464 5.439 0.685 555 H ARG 82 H ARG 82 -15.675 2.639 5.970 556 HA ARG 82 HA ARG 82 -18.509 2.595 5.186 557 HB3 ARG 82 2HB ARG 82 -17.284 0.843 7.321 558 HG3 ARG 82 2HG ARG 82 -19.799 1.556 7.378 559 HD3 ARG 82 2HD ARG 82 -19.620 -0.329 5.076 560 HE ARG 82 HE ARG 82 -21.367 -0.881 7.165 561 HH11 ARG 82 1HH1 ARG 82 -21.520 -0.220 3.751 562 HH12 ARG 82 2HH1 ARG 82 -22.954 -1.159 3.500 563 HH21 ARG 82 1HH2 ARG 82 -23.257 -2.120 6.848 564 HH22 ARG 82 2HH2 ARG 82 -23.941 -2.239 5.263 565 H GLY 83 H GLY 83 -16.157 3.102 7.786 566 HA2 GLY 83 2HA GLY 83 -18.009 4.310 9.583 567 HA3 GLY 83 3HA GLY 83 -16.257 4.379 9.699 568 H TYR 84 H TYR 84 -16.428 6.574 10.363 569 HA TYR 84 HA TYR 84 -17.563 8.513 8.548 570 HB3 TYR 84 2HB TYR 84 -16.918 10.164 10.193 571 HD1 TYR 84 2HD TYR 84 -19.362 8.585 9.746 572 HD2 TYR 84 1HD TYR 84 -16.806 8.776 13.142 573 HE1 TYR 84 2HE TYR 84 -21.245 7.941 11.192 574 HE2 TYR 84 1HE TYR 84 -18.681 8.131 14.597 575 HH TYR 84 HH TYR 84 -21.921 8.103 13.517 576 H ALA 85 H ALA 85 -16.349 10.277 7.628 577 HA ALA 85 HA ALA 85 -13.486 10.134 7.480 578 HB1 ALA 85 1HB ALA 85 -14.150 10.016 4.756 579 HB2 ALA 85 2HB ALA 85 -13.283 8.812 5.709 580 HB3 ALA 85 3HB ALA 85 -15.035 8.705 5.535 581 H ASP 86 H ASP 86 -12.577 12.016 6.712 582 HA ASP 86 HA ASP 86 -14.047 13.963 5.232 583 HB3 ASP 86 2HB ASP 86 -13.330 14.938 7.968 584 H LEU 87 H LEU 87 -12.780 16.044 5.049 585 HA LEU 87 HA LEU 87 -10.210 15.564 4.168 586 HB3 LEU 87 2HB LEU 87 -9.892 18.048 4.355 587 HG LEU 87 HG LEU 87 -11.421 16.795 2.514 588 HD11 LEU 87 1HD1 LEU 87 -13.559 17.011 3.250 589 HD12 LEU 87 2HD1 LEU 87 -13.406 18.555 2.413 590 HD13 LEU 87 3HD1 LEU 87 -13.217 18.480 4.164 591 HD21 LEU 87 3HD2 LEU 87 -10.238 18.421 1.526 592 HD22 LEU 87 1HD2 LEU 87 -10.370 19.497 2.918 593 HD23 LEU 87 2HD2 LEU 87 -11.688 19.401 1.750 594 H ARG 88 H ARG 88 -8.339 15.188 5.146 595 HA ARG 88 HA ARG 88 -8.046 14.983 7.912 596 HB3 ARG 88 2HB ARG 88 -5.476 15.282 7.103 597 HG3 ARG 88 2HG ARG 88 -5.762 12.793 6.249 598 HD3 ARG 88 2HD ARG 88 -6.220 13.611 9.115 599 HE ARG 88 HE ARG 88 -5.677 11.036 7.961 600 HH11 ARG 88 1HH1 ARG 88 -5.273 13.060 10.765 601 HH12 ARG 88 2HH1 ARG 88 -5.083 11.731 11.859 602 HH21 ARG 88 1HH2 ARG 88 -5.427 9.277 9.392 603 HH22 ARG 88 2HH2 ARG 88 -5.169 9.579 11.077 604 H GLU 89 H GLU 89 -5.983 16.183 8.941 605 HA GLU 89 HA GLU 89 -6.785 18.967 9.076 606 HB3 GLU 89 2HB GLU 89 -4.488 17.885 10.645 607 HG3 GLU 89 2HG GLU 89 -5.356 20.220 10.933 608 H ASP 90 H ASP 90 -5.803 18.651 6.632 609 HA ASP 90 HA ASP 90 -4.254 19.369 5.126 610 HB3 ASP 90 2HB ASP 90 -3.129 21.422 5.627 611 HA PRO 91 HA PRO 91 -1.009 16.579 6.882 612 HB3 PRO 91 2HB PRO 91 -2.078 14.730 6.033 613 HG3 PRO 91 2HG PRO 91 -3.544 14.911 4.238 614 HD3 PRO 91 2HD PRO 91 -4.374 16.576 5.598 615 H ASP 92 H ASP 92 0.196 18.661 6.504 616 HA ASP 92 HA ASP 92 2.410 18.237 4.860 617 HB3 ASP 92 2HB ASP 92 1.188 20.584 3.639 618 H ARG 93 H ARG 93 4.028 19.787 5.164 619 HA ARG 93 HA ARG 93 4.075 21.130 7.571 620 HB3 ARG 93 2HB ARG 93 6.142 20.699 6.503 621 HG3 ARG 93 2HG ARG 93 4.916 22.017 4.152 622 HD3 ARG 93 2HD ARG 93 7.013 23.328 4.896 623 HE ARG 93 HE ARG 93 8.220 20.761 4.425 624 HH11 ARG 93 1HH1 ARG 93 8.697 24.209 4.375 625 HH12 ARG 93 2HH1 ARG 93 10.417 24.104 4.555 626 HH21 ARG 93 1HH2 ARG 93 10.484 20.610 4.662 627 HH22 ARG 93 2HH2 ARG 93 11.432 22.057 4.717 628 H GLN 94 H GLN 94 3.245 22.973 8.310 629 HA GLN 94 HA GLN 94 1.358 24.475 6.974 630 HB3 GLN 94 2HB GLN 94 1.555 24.569 9.377 631 HG3 GLN 94 2HG GLN 94 3.931 26.350 9.273 632 HE21 GLN 94 1HE2 GLN 94 2.804 27.239 11.091 633 HE22 GLN 94 2HE2 GLN 94 2.850 26.430 12.616 634 H ASP 95 H ASP 95 1.432 26.758 6.319 635 HA ASP 95 HA ASP 95 3.811 28.119 5.720 636 HB3 ASP 95 2HB ASP 95 4.254 26.386 4.102 637 H HIS 96 H HIS 96 3.088 30.125 5.907 638 HA HIS 96 HA HIS 96 0.869 31.015 4.252 639 HB3 HIS 96 2HB HIS 96 -0.332 30.422 6.235 640 HD1 HIS 96 1HD HIS 96 -0.280 29.806 8.636 641 HD2 HIS 96 2HD HIS 96 2.633 32.613 7.687 642 HE1 HIS 96 1HE HIS 96 1.072 30.108 10.734 643 H HIS 97 H HIS 97 0.544 33.491 4.678 644 HA HIS 97 HA HIS 97 2.695 35.030 5.646 645 HB3 HIS 97 2HB HIS 97 2.627 34.786 2.632 646 HD1 HIS 97 1HD HIS 97 4.405 36.383 5.567 647 HD2 HIS 97 2HD HIS 97 4.237 36.636 1.424 648 HE1 HIS 97 1HE HIS 97 5.772 38.405 4.961 649 HA PRO 98 HA PRO 98 -1.336 37.168 4.761 650 HB3 PRO 98 2HB PRO 98 -2.206 36.538 6.792 651 HG3 PRO 98 2HG PRO 98 -0.818 35.960 8.566 652 HD3 PRO 98 2HD PRO 98 0.096 34.651 6.903 653 H GLY 99 H GLY 99 -1.852 39.552 5.543 654 HA2 GLY 99 2HA GLY 99 -0.446 41.564 6.320 655 HA3 GLY 99 3HA GLY 99 0.584 41.105 4.972 656 H SER 100 H SER 100 -1.842 43.133 5.906 657 HA SER 100 HA SER 100 -2.304 44.013 3.210 658 HB3 SER 100 2HB SER 100 -4.759 43.786 3.274 659 HG SER 100 HG SER 100 -4.805 41.493 3.046 660 H GLY 101 H GLY 101 -3.803 45.945 3.185 661 HA2 GLY 101 2HA GLY 101 -4.912 47.543 4.824 662 HA3 GLY 101 3HA GLY 101 -3.368 47.489 5.662 663 H ALA 102 H ALA 102 -5.052 49.555 4.041 664 HA ALA 102 HA ALA 102 -2.887 51.148 3.226 665 HB1 ALA 102 1HB ALA 102 -3.202 49.236 1.386 666 HB2 ALA 102 2HB ALA 102 -4.367 50.411 0.774 667 HB3 ALA 102 3HB ALA 102 -2.678 50.873 0.986 668 H GLN 103 H GLN 103 -3.523 53.233 2.612 669 HA GLN 103 HA GLN 103 -6.081 54.034 3.540 670 HB3 GLN 103 2HB GLN 103 -4.039 55.601 1.954 671 HG3 GLN 103 2HG GLN 103 -6.490 56.425 3.446 672 HE21 GLN 103 1HE2 GLN 103 -3.617 57.982 2.054 673 HE22 GLN 103 2HE2 GLN 103 -3.463 59.185 3.284 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -17.964 26.152 -1.588 2 HA2 GLY 1 2HA GLY 1 -18.957 24.815 -3.813 3 HA3 GLY 1 3HA GLY 1 -17.260 25.178 -3.543 4 H SER 2 H SER 2 -16.457 23.279 -4.373 5 HA SER 2 HA SER 2 -16.975 20.892 -2.735 6 HB3 SER 2 2HB SER 2 -16.903 21.080 -5.746 7 HG SER 2 HG SER 2 -16.998 18.736 -5.617 8 H LEU 3 H LEU 3 -15.216 19.631 -2.275 9 HA LEU 3 HA LEU 3 -12.677 20.815 -2.299 10 HB3 LEU 3 2HB LEU 3 -13.599 18.968 -0.790 11 HG LEU 3 HG LEU 3 -12.505 17.211 -2.984 12 HD11 LEU 3 1HD1 LEU 3 -13.385 15.559 -0.999 13 HD12 LEU 3 2HD1 LEU 3 -12.632 16.864 -0.084 14 HD13 LEU 3 3HD1 LEU 3 -11.699 15.986 -1.295 15 HD21 LEU 3 3HD2 LEU 3 -15.214 17.520 -1.716 16 HD22 LEU 3 1HD2 LEU 3 -14.741 16.076 -2.612 17 HD23 LEU 3 2HD2 LEU 3 -14.779 17.643 -3.421 18 H VAL 4 H VAL 4 -11.017 20.782 -3.694 19 HA VAL 4 HA VAL 4 -11.320 19.142 -6.126 20 HB VAL 4 HB VAL 4 -9.753 20.894 -7.149 21 HG11 VAL 4 1HG1 VAL 4 -12.205 20.633 -7.596 22 HG12 VAL 4 2HG1 VAL 4 -12.495 21.868 -6.369 23 HG13 VAL 4 3HG1 VAL 4 -11.582 22.266 -7.825 24 HG21 VAL 4 3HG2 VAL 4 -9.188 22.752 -6.029 25 HG22 VAL 4 1HG2 VAL 4 -10.795 22.927 -5.323 26 HG23 VAL 4 2HG2 VAL 4 -9.622 21.835 -4.587 27 HA PRO 5 HA PRO 5 -7.510 17.119 -5.312 28 HB3 PRO 5 2HB PRO 5 -7.900 15.873 -7.202 29 HG3 PRO 5 2HG PRO 5 -8.865 16.827 -9.090 30 HD3 PRO 5 2HD PRO 5 -10.354 17.537 -7.482 31 H ARG 6 H ARG 6 -5.477 17.665 -4.757 32 HA ARG 6 HA ARG 6 -4.170 19.893 -6.148 33 HB3 ARG 6 2HB ARG 6 -4.005 19.710 -3.162 34 HG3 ARG 6 2HG ARG 6 -4.033 22.313 -3.679 35 HD3 ARG 6 2HD ARG 6 -2.186 20.594 -2.792 36 HE ARG 6 HE ARG 6 -1.459 20.717 -5.453 37 HH11 ARG 6 1HH1 ARG 6 -0.010 21.460 -2.376 38 HH12 ARG 6 2HH1 ARG 6 1.604 21.124 -2.908 39 HH21 ARG 6 1HH2 ARG 6 0.661 20.272 -6.166 40 HH22 ARG 6 2HH2 ARG 6 1.985 20.450 -5.063 41 H GLY 7 H GLY 7 -2.423 18.952 -7.000 42 HA2 GLY 7 2HA GLY 7 -0.230 18.144 -5.536 43 HA3 GLY 7 3HA GLY 7 -1.146 16.677 -5.845 44 H SER 8 H SER 8 1.235 16.544 -6.850 45 HA SER 8 HA SER 8 1.100 17.447 -9.643 46 HB3 SER 8 2HB SER 8 3.514 16.325 -8.210 47 HG SER 8 HG SER 8 4.159 16.439 -10.219 48 H MET 9 H MET 9 1.057 14.660 -7.611 49 HA MET 9 HA MET 9 1.298 12.895 -9.951 50 HB3 MET 9 2HB MET 9 2.276 11.333 -8.640 51 HG3 MET 9 2HG MET 9 3.443 12.183 -6.641 52 HE1 MET 9 3HE MET 9 6.472 13.494 -7.789 53 HE2 MET 9 1HE MET 9 5.611 14.918 -7.202 54 HE3 MET 9 2HE MET 9 5.371 13.357 -6.416 55 H GLN 10 H GLN 10 -0.402 11.731 -10.631 56 HA GLN 10 HA GLN 10 -2.772 11.573 -8.897 57 HB3 GLN 10 2HB GLN 10 -4.219 11.994 -10.816 58 HG3 GLN 10 2HG GLN 10 -2.176 14.031 -10.121 59 HE21 GLN 10 1HE2 GLN 10 -3.216 16.310 -10.705 60 HE22 GLN 10 2HE2 GLN 10 -3.444 16.543 -12.401 61 H ILE 11 H ILE 11 -3.960 9.696 -9.019 62 HA ILE 11 HA ILE 11 -3.257 7.682 -10.998 63 HB ILE 11 HB ILE 11 -1.833 7.552 -8.747 64 HG13 ILE 11 2HG1 ILE 11 -2.070 5.989 -10.861 65 HG21 ILE 11 1HG2 ILE 11 -2.776 6.360 -7.012 66 HG22 ILE 11 2HG2 ILE 11 -4.128 7.367 -7.529 67 HG23 ILE 11 3HG2 ILE 11 -4.043 5.677 -8.029 68 HD11 ILE 11 3HD1 ILE 11 -0.614 4.313 -9.874 69 HD12 ILE 11 1HD1 ILE 11 -0.118 5.940 -9.413 70 HD13 ILE 11 2HD1 ILE 11 -0.988 4.925 -8.263 71 H PHE 12 H PHE 12 -4.605 5.605 -10.500 72 HA PHE 12 HA PHE 12 -7.338 6.508 -9.905 73 HB3 PHE 12 2HB PHE 12 -7.339 3.938 -11.130 74 HD1 PHE 12 2HD PHE 12 -7.327 7.529 -12.156 75 HD2 PHE 12 1HD PHE 12 -9.396 3.809 -12.121 76 HE1 PHE 12 2HE PHE 12 -9.231 8.580 -13.310 77 HE2 PHE 12 1HE PHE 12 -11.302 4.854 -13.275 78 HZ PHE 12 HZ PHE 12 -11.220 7.242 -13.872 79 H VAL 13 H VAL 13 -8.243 5.845 -8.081 80 HA VAL 13 HA VAL 13 -7.455 3.244 -6.959 81 HB VAL 13 HB VAL 13 -7.776 5.789 -5.360 82 HG11 VAL 13 1HG1 VAL 13 -8.352 4.391 -3.714 83 HG12 VAL 13 2HG1 VAL 13 -7.858 2.968 -4.631 84 HG13 VAL 13 3HG1 VAL 13 -6.661 3.890 -3.719 85 HG21 VAL 13 3HG2 VAL 13 -5.596 6.109 -5.633 86 HG22 VAL 13 1HG2 VAL 13 -5.266 4.503 -4.983 87 HG23 VAL 13 2HG2 VAL 13 -5.530 4.717 -6.714 88 H LYS 14 H LYS 14 -9.132 1.999 -6.434 89 HA LYS 14 HA LYS 14 -11.769 3.276 -6.109 90 HB3 LYS 14 2HB LYS 14 -12.475 0.816 -6.897 91 HG3 LYS 14 2HG LYS 14 -11.901 1.997 -9.355 92 HD3 LYS 14 2HD LYS 14 -14.082 1.082 -8.072 93 HE3 LYS 14 2HE LYS 14 -13.999 3.973 -7.615 94 HZ1 LYS 14 3HZ LYS 14 -15.646 3.545 -9.549 95 HZ2 LYS 14 1HZ LYS 14 -16.125 4.509 -8.243 96 HZ3 LYS 14 2HZ LYS 14 -16.638 2.900 -8.340 97 H THR 15 H THR 15 -12.562 3.061 -4.133 98 HA THR 15 HA THR 15 -11.414 1.270 -2.223 99 HB THR 15 HB THR 15 -12.803 2.261 -0.613 100 HG1 THR 15 1HG THR 15 -14.839 2.608 -1.042 101 HG21 THR 15 3HG2 THR 15 -12.247 4.472 -0.791 102 HG22 THR 15 1HG2 THR 15 -12.783 4.585 -2.466 103 HG23 THR 15 2HG2 THR 15 -11.240 3.822 -2.086 104 H LEU 16 H LEU 16 -13.272 0.176 -0.725 105 HA LEU 16 HA LEU 16 -14.236 -2.002 -2.308 106 HB3 LEU 16 2HB LEU 16 -14.959 -2.970 -0.249 107 HG LEU 16 HG LEU 16 -12.295 -1.792 -0.301 108 HD11 LEU 16 1HD1 LEU 16 -13.573 -2.395 2.360 109 HD12 LEU 16 2HD1 LEU 16 -12.913 -0.851 1.825 110 HD13 LEU 16 3HD1 LEU 16 -11.839 -2.224 2.092 111 HD21 LEU 16 3HD2 LEU 16 -12.289 -4.005 -0.850 112 HD22 LEU 16 1HD2 LEU 16 -13.607 -4.399 0.253 113 HD23 LEU 16 2HD2 LEU 16 -11.980 -4.136 0.883 114 H THR 17 H THR 17 -15.644 0.855 -0.863 115 HA THR 17 HA THR 17 -18.362 0.018 -1.358 116 HB THR 17 HB THR 17 -17.512 1.634 0.499 117 HG1 THR 17 1HG THR 17 -19.843 2.058 -1.081 118 HG21 THR 17 3HG2 THR 17 -18.241 3.836 -1.329 119 HG22 THR 17 1HG2 THR 17 -16.645 3.128 -1.572 120 HG23 THR 17 2HG2 THR 17 -17.081 3.801 -0.001 121 H GLY 18 H GLY 18 -15.873 1.555 -3.130 122 HA2 GLY 18 2HA GLY 18 -16.176 1.720 -5.536 123 HA3 GLY 18 3HA GLY 18 -17.828 2.238 -5.233 124 H LYS 19 H LYS 19 -15.546 3.570 -3.095 125 HA LYS 19 HA LYS 19 -15.989 6.204 -4.157 126 HB3 LYS 19 2HB LYS 19 -14.224 6.710 -2.254 127 HG3 LYS 19 2HG LYS 19 -16.020 6.485 -0.512 128 HD3 LYS 19 2HD LYS 19 -17.046 7.757 -3.036 129 HE3 LYS 19 2HE LYS 19 -17.107 8.722 -0.183 130 HZ1 LYS 19 3HZ LYS 19 -17.400 10.384 -1.970 131 HZ2 LYS 19 1HZ LYS 19 -18.764 10.223 -0.982 132 HZ3 LYS 19 2HZ LYS 19 -18.750 9.524 -2.521 133 H THR 20 H THR 20 -14.406 7.651 -4.916 134 HA THR 20 HA THR 20 -11.974 6.347 -5.954 135 HB THR 20 HB THR 20 -12.359 8.611 -7.513 136 HG1 THR 20 1HG THR 20 -14.481 8.691 -8.031 137 HG21 THR 20 3HG2 THR 20 -13.498 6.441 -8.895 138 HG22 THR 20 1HG2 THR 20 -12.289 5.756 -7.809 139 HG23 THR 20 2HG2 THR 20 -11.829 7.006 -8.965 140 H ILE 21 H ILE 21 -10.101 7.136 -5.258 141 HA ILE 21 HA ILE 21 -9.985 9.925 -4.338 142 HB ILE 21 HB ILE 21 -8.330 9.086 -2.570 143 HG13 ILE 21 2HG1 ILE 21 -8.255 6.857 -1.987 144 HG21 ILE 21 1HG2 ILE 21 -10.200 8.517 -0.999 145 HG22 ILE 21 2HG2 ILE 21 -10.422 10.008 -1.912 146 HG23 ILE 21 3HG2 ILE 21 -11.286 8.547 -2.387 147 HD11 ILE 21 3HD1 ILE 21 -11.018 6.688 -3.070 148 HD12 ILE 21 1HD1 ILE 21 -10.031 5.228 -3.000 149 HD13 ILE 21 2HD1 ILE 21 -10.372 6.135 -1.525 150 H THR 22 H THR 22 -8.180 11.034 -4.894 151 HA THR 22 HA THR 22 -6.440 9.842 -6.855 152 HB THR 22 HB THR 22 -5.778 12.522 -5.778 153 HG1 THR 22 1HG THR 22 -7.583 13.467 -6.772 154 HG21 THR 22 3HG2 THR 22 -5.327 11.023 -8.124 155 HG22 THR 22 1HG2 THR 22 -4.788 12.662 -7.768 156 HG23 THR 22 2HG2 THR 22 -6.328 12.399 -8.586 157 H LEU 23 H LEU 23 -4.628 8.791 -6.408 158 HA LEU 23 HA LEU 23 -3.233 9.399 -3.885 159 HB3 LEU 23 2HB LEU 23 -2.252 6.993 -4.488 160 HG LEU 23 HG LEU 23 -4.067 5.878 -3.169 161 HD11 LEU 23 1HD1 LEU 23 -3.576 7.138 -1.088 162 HD12 LEU 23 2HD1 LEU 23 -2.809 8.386 -2.069 163 HD13 LEU 23 3HD1 LEU 23 -2.141 6.754 -2.038 164 HD21 LEU 23 3HD2 LEU 23 -5.866 7.434 -3.970 165 HD22 LEU 23 1HD2 LEU 23 -5.188 8.660 -2.897 166 HD23 LEU 23 2HD2 LEU 23 -5.834 7.161 -2.227 167 H GLU 24 H GLU 24 -1.060 9.778 -3.914 168 HA GLU 24 HA GLU 24 0.105 10.334 -6.522 169 HB3 GLU 24 2HB GLU 24 0.238 11.998 -4.676 170 HG3 GLU 24 2HG GLU 24 1.935 9.880 -3.403 171 H VAL 25 H VAL 25 2.155 9.554 -7.177 172 HA VAL 25 HA VAL 25 3.263 7.292 -5.694 173 HB VAL 25 HB VAL 25 3.447 6.031 -7.914 174 HG11 VAL 25 1HG1 VAL 25 1.965 5.430 -5.999 175 HG12 VAL 25 2HG1 VAL 25 0.672 6.344 -6.780 176 HG13 VAL 25 3HG1 VAL 25 1.353 4.924 -7.573 177 HG21 VAL 25 3HG2 VAL 25 2.764 7.959 -9.320 178 HG22 VAL 25 1HG2 VAL 25 1.798 6.510 -9.604 179 HG23 VAL 25 2HG2 VAL 25 1.139 7.834 -8.642 180 H GLU 26 H GLU 26 5.441 6.985 -5.988 181 HA GLU 26 HA GLU 26 6.884 8.252 -8.123 182 HB3 GLU 26 2HB GLU 26 8.329 9.443 -6.217 183 HG3 GLU 26 2HG GLU 26 7.333 11.524 -6.726 184 HA PRO 27 HA PRO 27 9.673 4.976 -7.243 185 HB3 PRO 27 2HB PRO 27 10.620 5.412 -9.290 186 HG3 PRO 27 2HG PRO 27 10.812 7.588 -10.086 187 HD3 PRO 27 2HD PRO 27 8.587 7.581 -9.481 188 H SER 28 H SER 28 10.186 8.150 -5.990 189 HA SER 28 HA SER 28 12.213 7.129 -4.114 190 HB3 SER 28 2HB SER 28 11.854 9.701 -5.486 191 HG SER 28 HG SER 28 11.523 10.742 -3.667 192 H ASP 29 H ASP 29 8.987 8.128 -4.399 193 HA ASP 29 HA ASP 29 8.772 8.654 -1.515 194 HB3 ASP 29 2HB ASP 29 6.770 9.826 -1.935 195 H THR 30 H THR 30 7.793 7.244 -0.207 196 HA THR 30 HA THR 30 6.607 4.851 -1.418 197 HB THR 30 HB THR 30 8.473 4.566 0.221 198 HG1 THR 30 1HG THR 30 6.776 2.962 -0.131 199 HG21 THR 30 3HG2 THR 30 8.457 5.603 2.193 200 HG22 THR 30 1HG2 THR 30 6.913 4.860 2.608 201 HG23 THR 30 2HG2 THR 30 6.949 6.392 1.736 202 H ILE 31 H ILE 31 4.838 3.834 0.034 203 HA ILE 31 HA ILE 31 2.551 5.373 -0.086 204 HB ILE 31 HB ILE 31 2.996 3.115 1.868 205 HG13 ILE 31 2HG1 ILE 31 2.010 1.713 -0.001 206 HG21 ILE 31 1HG2 ILE 31 0.766 4.769 1.336 207 HG22 ILE 31 2HG2 ILE 31 0.403 3.168 0.695 208 HG23 ILE 31 3HG2 ILE 31 0.854 3.358 2.389 209 HD11 ILE 31 3HD1 ILE 31 2.168 2.430 -2.249 210 HD12 ILE 31 1HD1 ILE 31 1.225 3.644 -1.385 211 HD13 ILE 31 2HD1 ILE 31 2.916 3.956 -1.780 212 H GLU 32 H GLU 32 4.966 5.237 2.405 213 HA GLU 32 HA GLU 32 3.615 6.160 4.624 214 HB3 GLU 32 2HB GLU 32 6.360 7.125 3.834 215 HG3 GLU 32 2HG GLU 32 5.095 6.529 6.495 216 H ASN 33 H ASN 33 5.223 8.150 2.140 217 HA ASN 33 HA ASN 33 4.122 10.582 3.201 218 HB3 ASN 33 2HB ASN 33 5.110 11.557 1.057 219 HD21 ASN 33 1HD2 ASN 33 7.817 9.994 1.060 220 HD22 ASN 33 2HD2 ASN 33 8.596 10.614 2.471 221 H VAL 34 H VAL 34 3.406 8.408 0.532 222 HA VAL 34 HA VAL 34 1.630 9.932 -0.939 223 HB VAL 34 HB VAL 34 1.389 6.976 -0.359 224 HG11 VAL 34 1HG1 VAL 34 0.198 6.868 -2.487 225 HG12 VAL 34 2HG1 VAL 34 -0.633 7.929 -1.349 226 HG13 VAL 34 3HG1 VAL 34 0.329 8.619 -2.657 227 HG21 VAL 34 3HG2 VAL 34 3.352 8.491 -1.829 228 HG22 VAL 34 1HG2 VAL 34 3.309 6.766 -1.462 229 HG23 VAL 34 2HG2 VAL 34 2.487 7.384 -2.895 230 H LYS 35 H LYS 35 1.128 8.245 2.095 231 HA LYS 35 HA LYS 35 -1.632 8.215 2.254 232 HB3 LYS 35 2HB LYS 35 0.128 7.306 3.903 233 HG3 LYS 35 2HG LYS 35 0.837 9.839 4.349 234 HD3 LYS 35 2HD LYS 35 -1.442 9.256 6.206 235 HE3 LYS 35 2HE LYS 35 0.618 9.653 7.563 236 HZ1 LYS 35 3HZ LYS 35 1.977 11.122 6.515 237 HZ2 LYS 35 1HZ LYS 35 1.143 12.212 7.504 238 HZ3 LYS 35 2HZ LYS 35 0.709 12.042 5.878 239 H ALA 36 H ALA 36 0.550 10.900 2.466 240 HA ALA 36 HA ALA 36 -1.146 12.736 3.785 241 HB1 ALA 36 1HB ALA 36 0.526 14.217 3.502 242 HB2 ALA 36 2HB ALA 36 1.441 12.787 3.023 243 HB3 ALA 36 3HB ALA 36 0.726 13.829 1.793 244 H LYS 37 H LYS 37 -0.557 12.094 0.341 245 HA LYS 37 HA LYS 37 -2.200 14.087 -0.717 246 HB3 LYS 37 2HB LYS 37 -2.366 11.772 -2.376 247 HG3 LYS 37 2HG LYS 37 -1.955 14.278 -2.926 248 HD3 LYS 37 2HD LYS 37 0.718 14.023 -3.608 249 HE3 LYS 37 2HE LYS 37 0.119 15.434 -1.086 250 HZ1 LYS 37 3HZ LYS 37 1.692 15.800 -3.450 251 HZ2 LYS 37 1HZ LYS 37 1.891 16.468 -1.908 252 HZ3 LYS 37 2HZ LYS 37 0.849 17.202 -3.020 253 H ILE 38 H ILE 38 -2.974 10.685 -0.007 254 HA ILE 38 HA ILE 38 -5.725 10.953 -0.697 255 HB ILE 38 HB ILE 38 -4.794 8.770 -0.835 256 HG13 ILE 38 2HG1 ILE 38 -6.525 8.793 1.646 257 HG21 ILE 38 1HG2 ILE 38 -3.996 7.603 1.267 258 HG22 ILE 38 2HG2 ILE 38 -2.946 8.866 0.626 259 HG23 ILE 38 3HG2 ILE 38 -3.969 9.196 2.024 260 HD11 ILE 38 3HD1 ILE 38 -7.178 9.620 -1.040 261 HD12 ILE 38 1HD1 ILE 38 -8.135 8.228 -0.533 262 HD13 ILE 38 2HD1 ILE 38 -8.141 9.702 0.435 263 H GLN 39 H GLN 39 -3.876 11.375 2.230 264 HA GLN 39 HA GLN 39 -5.785 11.159 4.196 265 HB3 GLN 39 2HB GLN 39 -4.313 13.411 4.930 266 HG3 GLN 39 2HG GLN 39 -3.082 10.748 5.341 267 HE21 GLN 39 1HE2 GLN 39 -1.560 12.692 5.767 268 HE22 GLN 39 2HE2 GLN 39 -1.541 13.259 7.400 269 H ASP 40 H ASP 40 -5.168 13.899 2.048 270 HA ASP 40 HA ASP 40 -7.187 15.544 3.262 271 HB3 ASP 40 2HB ASP 40 -5.638 15.829 0.680 272 H LYS 41 H LYS 41 -7.050 13.210 0.704 273 HA LYS 41 HA LYS 41 -9.442 14.008 -0.631 274 HB3 LYS 41 2HB LYS 41 -9.165 11.362 -1.249 275 HG3 LYS 41 2HG LYS 41 -8.590 13.811 -2.510 276 HD3 LYS 41 2HD LYS 41 -6.688 12.408 -3.931 277 HE3 LYS 41 2HE LYS 41 -5.101 14.077 -3.043 278 HZ1 LYS 41 3HZ LYS 41 -6.073 15.783 -4.130 279 HZ2 LYS 41 1HZ LYS 41 -7.552 15.626 -3.324 280 HZ3 LYS 41 2HZ LYS 41 -7.169 14.584 -4.600 281 H GLU 42 H GLU 42 -8.719 11.257 1.524 282 HA GLU 42 HA GLU 42 -11.547 11.291 2.343 283 HB3 GLU 42 2HB GLU 42 -10.854 9.356 0.821 284 HG3 GLU 42 2HG GLU 42 -9.753 8.105 3.296 285 H GLY 43 H GLY 43 -8.200 10.694 3.221 286 HA2 GLY 43 2HA GLY 43 -7.266 11.246 5.313 287 HA3 GLY 43 3HA GLY 43 -8.881 11.248 6.008 288 H ILE 44 H ILE 44 -7.640 8.644 4.020 289 HA ILE 44 HA ILE 44 -8.258 6.703 6.012 290 HB ILE 44 HB ILE 44 -8.344 6.300 3.532 291 HG13 ILE 44 2HG1 ILE 44 -6.912 4.484 5.445 292 HG21 ILE 44 1HG2 ILE 44 -6.044 7.383 3.208 293 HG22 ILE 44 2HG2 ILE 44 -5.388 5.822 3.699 294 HG23 ILE 44 3HG2 ILE 44 -6.412 5.936 2.268 295 HD11 ILE 44 3HD1 ILE 44 -9.585 4.995 4.984 296 HD12 ILE 44 1HD1 ILE 44 -9.284 3.480 4.133 297 HD13 ILE 44 2HD1 ILE 44 -8.909 3.616 5.852 298 HA PRO 45 HA PRO 45 -4.454 6.864 8.272 299 HB3 PRO 45 2HB PRO 45 -5.677 6.111 10.065 300 HG3 PRO 45 2HG PRO 45 -7.492 4.689 9.765 301 HD3 PRO 45 2HD PRO 45 -8.014 6.328 8.231 302 HA PRO 46 HA PRO 46 -1.978 4.239 5.635 303 HB3 PRO 46 2HB PRO 46 -0.542 6.025 5.461 304 HG3 PRO 46 2HG PRO 46 -0.323 7.562 7.191 305 HD3 PRO 46 2HD PRO 46 -2.619 7.513 6.993 306 H ASP 47 H ASP 47 -2.027 4.322 9.099 307 HA ASP 47 HA ASP 47 -0.156 2.297 9.658 308 HB3 ASP 47 2HB ASP 47 -1.696 2.007 11.756 309 H GLN 48 H GLN 48 -3.597 2.180 8.886 310 HA GLN 48 HA GLN 48 -3.453 -0.758 8.883 311 HB3 GLN 48 2HB GLN 48 -5.857 -0.777 9.122 312 HG3 GLN 48 2HG GLN 48 -4.240 -0.009 11.123 313 HE21 GLN 48 1HE2 GLN 48 -7.176 1.849 10.385 314 HE22 GLN 48 2HE2 GLN 48 -6.655 3.302 11.160 315 H GLN 49 H GLN 49 -3.672 1.984 6.893 316 HA GLN 49 HA GLN 49 -5.214 1.290 4.756 317 HB3 GLN 49 2HB GLN 49 -2.483 2.584 4.710 318 HG3 GLN 49 2HG GLN 49 -4.364 3.390 2.649 319 HE21 GLN 49 1HE2 GLN 49 -2.756 5.036 2.655 320 HE22 GLN 49 2HE2 GLN 49 -1.231 4.773 1.887 321 H ARG 50 H ARG 50 -5.286 -0.355 3.383 322 HA ARG 50 HA ARG 50 -3.082 -2.259 3.332 323 HB3 ARG 50 2HB ARG 50 -5.419 -3.044 3.628 324 HG3 ARG 50 2HG ARG 50 -5.795 -2.256 0.748 325 HD3 ARG 50 2HD ARG 50 -8.048 -3.070 1.032 326 HE ARG 50 HE ARG 50 -5.882 -4.846 1.171 327 HH11 ARG 50 1HH1 ARG 50 -9.316 -4.771 1.736 328 HH12 ARG 50 2HH1 ARG 50 -9.543 -6.450 1.379 329 HH21 ARG 50 1HH2 ARG 50 -6.168 -7.059 0.698 330 HH22 ARG 50 2HH2 ARG 50 -7.752 -7.751 0.789 331 H LEU 51 H LEU 51 -2.579 -3.269 1.153 332 HA LEU 51 HA LEU 51 -2.539 -1.220 -0.960 333 HB3 LEU 51 2HB LEU 51 -0.262 -2.308 -1.546 334 HG LEU 51 HG LEU 51 -0.423 0.018 -0.687 335 HD11 LEU 51 1HD1 LEU 51 0.353 0.083 1.837 336 HD12 LEU 51 2HD1 LEU 51 -0.522 -1.446 1.896 337 HD13 LEU 51 3HD1 LEU 51 -1.354 0.027 1.394 338 HD21 LEU 51 3HD2 LEU 51 1.945 -0.623 0.723 339 HD22 LEU 51 1HD2 LEU 51 1.780 -0.036 -0.932 340 HD23 LEU 51 2HD2 LEU 51 1.793 -1.769 -0.610 341 H ILE 52 H ILE 52 -3.067 -1.901 -2.957 342 HA ILE 52 HA ILE 52 -3.169 -4.793 -3.470 343 HB ILE 52 HB ILE 52 -5.377 -2.798 -3.904 344 HG13 ILE 52 2HG1 ILE 52 -5.110 -5.455 -2.505 345 HG21 ILE 52 1HG2 ILE 52 -4.698 -5.190 -5.495 346 HG22 ILE 52 2HG2 ILE 52 -6.389 -5.011 -5.031 347 HG23 ILE 52 3HG2 ILE 52 -5.587 -3.737 -5.950 348 HD11 ILE 52 3HD1 ILE 52 -4.831 -4.090 -0.768 349 HD12 ILE 52 1HD1 ILE 52 -5.424 -2.685 -1.652 350 HD13 ILE 52 2HD1 ILE 52 -6.565 -3.804 -0.904 351 H PHE 53 H PHE 53 -1.951 -5.243 -5.170 352 HA PHE 53 HA PHE 53 -1.915 -3.354 -7.425 353 HB3 PHE 53 2HB PHE 53 0.424 -4.722 -6.106 354 HD1 PHE 53 2HD PHE 53 -0.551 -2.861 -9.180 355 HD2 PHE 53 1HD PHE 53 2.326 -5.336 -7.253 356 HE1 PHE 53 2HE PHE 53 0.713 -3.024 -11.284 357 HE2 PHE 53 1HE PHE 53 3.596 -5.502 -9.354 358 HZ PHE 53 HZ PHE 53 2.789 -4.345 -11.373 359 H ALA 54 H ALA 54 -2.816 -4.325 -9.108 360 HA ALA 54 HA ALA 54 -3.460 -5.911 -10.611 361 HB1 ALA 54 1HB ALA 54 -0.872 -7.298 -9.960 362 HB2 ALA 54 2HB ALA 54 -1.765 -7.314 -11.481 363 HB3 ALA 54 3HB ALA 54 -0.959 -5.839 -10.947 364 H GLY 55 H GLY 55 -4.264 -6.280 -7.843 365 HA2 GLY 55 2HA GLY 55 -5.713 -7.905 -6.960 366 HA3 GLY 55 3HA GLY 55 -5.003 -9.095 -8.041 367 H LYS 56 H LYS 56 -2.297 -7.959 -7.048 368 HA LYS 56 HA LYS 56 -2.132 -9.772 -4.755 369 HB3 LYS 56 2HB LYS 56 0.112 -8.493 -6.326 370 HG3 LYS 56 2HG LYS 56 0.318 -11.048 -4.794 371 HD3 LYS 56 2HD LYS 56 2.689 -10.248 -4.621 372 HE3 LYS 56 2HE LYS 56 1.656 -10.454 -7.447 373 HZ1 LYS 56 3HZ LYS 56 4.171 -10.020 -6.692 374 HZ2 LYS 56 1HZ LYS 56 3.752 -10.908 -8.071 375 HZ3 LYS 56 2HZ LYS 56 4.141 -11.711 -6.633 376 H GLN 57 H GLN 57 -1.986 -9.020 -2.749 377 HA GLN 57 HA GLN 57 -1.664 -6.166 -2.317 378 HB3 GLN 57 2HB GLN 57 -3.388 -7.727 -1.169 379 HG3 GLN 57 2HG GLN 57 -2.710 -8.616 0.974 380 HE21 GLN 57 1HE2 GLN 57 0.087 -9.930 0.381 381 HE22 GLN 57 2HE2 GLN 57 -0.348 -11.252 -0.643 382 H LEU 58 H LEU 58 -0.206 -5.341 -0.662 383 HA LEU 58 HA LEU 58 2.249 -6.956 -0.433 384 HB3 LEU 58 2HB LEU 58 3.557 -4.958 -0.610 385 HG LEU 58 HG LEU 58 2.468 -5.912 -2.802 386 HD11 LEU 58 1HD1 LEU 58 1.519 -3.236 -3.390 387 HD12 LEU 58 2HD1 LEU 58 0.561 -4.028 -2.139 388 HD13 LEU 58 3HD1 LEU 58 0.769 -4.800 -3.711 389 HD21 LEU 58 3HD2 LEU 58 4.522 -4.972 -3.126 390 HD22 LEU 58 1HD2 LEU 58 4.081 -3.462 -2.327 391 HD23 LEU 58 2HD2 LEU 58 3.521 -3.788 -3.969 392 H GLU 59 H GLU 59 3.690 -5.400 1.278 393 HA GLU 59 HA GLU 59 2.120 -4.675 3.582 394 HB3 GLU 59 2HB GLU 59 4.087 -6.868 4.090 395 HG3 GLU 59 2HG GLU 59 1.546 -5.972 5.422 396 H ASP 60 H ASP 60 5.364 -5.567 2.437 397 HA ASP 60 HA ASP 60 6.907 -4.200 4.269 398 HB3 ASP 60 2HB ASP 60 7.924 -3.929 1.541 399 H GLY 61 H GLY 61 7.913 -2.136 4.267 400 HA2 GLY 61 2HA GLY 61 6.315 -0.089 2.859 401 HA3 GLY 61 3HA GLY 61 7.057 0.146 4.435 402 H ARG 62 H ARG 62 7.761 -0.330 1.004 403 HA ARG 62 HA ARG 62 10.222 1.237 1.391 404 HB3 ARG 62 2HB ARG 62 11.332 -0.135 -0.320 405 HG3 ARG 62 2HG ARG 62 11.554 -2.257 0.892 406 HD3 ARG 62 2HD ARG 62 11.379 -0.217 3.046 407 HE ARG 62 HE ARG 62 13.064 -2.444 2.477 408 HH11 ARG 62 1HH1 ARG 62 12.974 0.675 4.020 409 HH12 ARG 62 2HH1 ARG 62 14.239 0.302 5.143 410 HH21 ARG 62 1HH2 ARG 62 14.732 -2.948 3.950 411 HH22 ARG 62 2HH2 ARG 62 15.239 -1.760 5.102 412 H THR 63 H THR 63 11.041 2.097 -0.774 413 HA THR 63 HA THR 63 8.902 3.571 -1.991 414 HB THR 63 HB THR 63 10.593 4.744 -3.228 415 HG1 THR 63 1HG THR 63 12.796 3.993 -3.133 416 HG21 THR 63 3HG2 THR 63 11.696 5.758 -1.477 417 HG22 THR 63 1HG2 THR 63 12.025 4.231 -0.659 418 HG23 THR 63 2HG2 THR 63 10.404 4.923 -0.615 419 H LEU 64 H LEU 64 8.621 3.727 -4.347 420 HA LEU 64 HA LEU 64 7.924 1.331 -5.523 421 HB3 LEU 64 2HB LEU 64 8.674 3.158 -7.580 422 HG LEU 64 HG LEU 64 6.554 1.671 -7.376 423 HD11 LEU 64 1HD1 LEU 64 6.016 3.729 -5.440 424 HD12 LEU 64 2HD1 LEU 64 5.106 2.263 -5.803 425 HD13 LEU 64 3HD1 LEU 64 4.800 3.740 -6.717 426 HD21 LEU 64 3HD2 LEU 64 6.704 4.427 -8.553 427 HD22 LEU 64 1HD2 LEU 64 5.296 3.391 -8.790 428 HD23 LEU 64 2HD2 LEU 64 6.882 2.867 -9.358 429 H SER 65 H SER 65 10.899 3.211 -6.013 430 HA SER 65 HA SER 65 12.042 1.341 -7.835 431 HB3 SER 65 2HB SER 65 13.685 3.258 -6.206 432 HG SER 65 HG SER 65 14.447 3.507 -8.540 433 H GLU 66 H GLU 66 12.050 1.715 -4.368 434 HA GLU 66 HA GLU 66 14.262 0.015 -3.829 435 HB3 GLU 66 2HB GLU 66 12.919 -0.160 -1.543 436 HG3 GLU 66 2HG GLU 66 13.741 2.116 -0.897 437 H TYR 67 H TYR 67 10.778 -0.513 -4.073 438 HA TYR 67 HA TYR 67 11.113 -3.357 -3.525 439 HB3 TYR 67 2HB TYR 67 8.444 -2.475 -4.330 440 HD1 TYR 67 2HD TYR 67 10.515 -3.430 -1.365 441 HD2 TYR 67 1HD TYR 67 6.952 -4.072 -3.598 442 HE1 TYR 67 2HE TYR 67 9.904 -5.269 0.151 443 HE2 TYR 67 1HE TYR 67 6.329 -5.912 -2.088 444 HH TYR 67 HH TYR 67 8.431 -7.391 -0.031 445 H ASN 68 H ASN 68 11.453 -1.420 -6.141 446 HA ASN 68 HA ASN 68 11.386 -1.700 -8.402 447 HB3 ASN 68 2HB ASN 68 11.500 -4.665 -7.890 448 HD21 ASN 68 1HD2 ASN 68 13.505 -2.170 -9.406 449 HD22 ASN 68 2HD2 ASN 68 13.494 -2.876 -10.983 450 H ILE 69 H ILE 69 8.855 -1.487 -7.187 451 HA ILE 69 HA ILE 69 7.188 -3.404 -8.655 452 HB ILE 69 HB ILE 69 5.304 -2.382 -7.335 453 HG13 ILE 69 2HG1 ILE 69 6.467 -0.245 -6.829 454 HG21 ILE 69 1HG2 ILE 69 7.571 -3.665 -5.816 455 HG22 ILE 69 2HG2 ILE 69 5.909 -3.540 -5.239 456 HG23 ILE 69 3HG2 ILE 69 6.274 -4.493 -6.677 457 HD11 ILE 69 3HD1 ILE 69 5.403 0.128 -4.883 458 HD12 ILE 69 1HD1 ILE 69 4.687 -1.444 -5.236 459 HD13 ILE 69 2HD1 ILE 69 6.050 -1.325 -4.121 460 H GLN 70 H GLN 70 5.262 -2.565 -9.767 461 HA GLN 70 HA GLN 70 5.968 -0.425 -11.526 462 HB3 GLN 70 2HB GLN 70 3.325 -0.919 -12.042 463 HG3 GLN 70 2HG GLN 70 5.794 -2.310 -13.006 464 HE21 GLN 70 1HE2 GLN 70 5.681 -4.055 -14.245 465 HE22 GLN 70 2HE2 GLN 70 4.226 -4.796 -14.806 466 H LYS 71 H LYS 71 2.858 -0.775 -9.854 467 HA LYS 71 HA LYS 71 1.454 0.775 -8.948 468 HB3 LYS 71 2HB LYS 71 3.988 2.088 -7.961 469 HG3 LYS 71 2HG LYS 71 1.195 2.449 -7.351 470 HD3 LYS 71 2HD LYS 71 2.937 2.031 -4.941 471 HE3 LYS 71 2HE LYS 71 0.648 1.781 -3.894 472 HZ1 LYS 71 3HZ LYS 71 0.597 4.443 -5.006 473 HZ2 LYS 71 1HZ LYS 71 2.089 4.001 -4.343 474 HZ3 LYS 71 2HZ LYS 71 0.692 3.945 -3.392 475 H GLU 72 H GLU 72 2.613 1.300 -11.646 476 HA GLU 72 HA GLU 72 2.169 4.213 -11.708 477 HB3 GLU 72 2HB GLU 72 3.591 4.256 -13.746 478 HG3 GLU 72 2HG GLU 72 4.607 3.587 -11.083 479 H SER 73 H SER 73 0.219 2.031 -11.905 480 HA SER 73 HA SER 73 -0.945 2.802 -14.480 481 HB3 SER 73 2HB SER 73 -1.744 0.367 -14.697 482 HG SER 73 HG SER 73 0.547 -0.216 -15.407 483 H THR 74 H THR 74 -1.969 0.333 -12.167 484 HA THR 74 HA THR 74 -4.142 2.092 -11.268 485 HB THR 74 HB THR 74 -4.930 -0.723 -11.612 486 HG1 THR 74 1HG THR 74 -4.589 0.956 -13.894 487 HG21 THR 74 3HG2 THR 74 -6.827 0.394 -11.190 488 HG22 THR 74 1HG2 THR 74 -6.758 0.909 -12.875 489 HG23 THR 74 2HG2 THR 74 -6.105 1.947 -11.607 490 H LEU 75 H LEU 75 -3.846 2.273 -9.145 491 HA LEU 75 HA LEU 75 -3.361 -0.179 -7.594 492 HB3 LEU 75 2HB LEU 75 -2.251 1.904 -6.117 493 HG LEU 75 HG LEU 75 0.001 0.945 -6.839 494 HD11 LEU 75 1HD1 LEU 75 -1.007 -1.419 -5.823 495 HD12 LEU 75 2HD1 LEU 75 -2.129 -0.192 -5.235 496 HD13 LEU 75 3HD1 LEU 75 -0.406 -0.048 -4.890 497 HD21 LEU 75 3HD2 LEU 75 -1.209 0.017 -8.989 498 HD22 LEU 75 1HD2 LEU 75 -1.531 -1.358 -7.934 499 HD23 LEU 75 2HD2 LEU 75 0.131 -0.854 -8.243 500 H HIS 76 H HIS 76 -4.531 -0.404 -5.747 501 HA HIS 76 HA HIS 76 -6.234 1.849 -4.926 502 HB3 HIS 76 2HB HIS 76 -7.028 -0.864 -5.791 503 HD1 HIS 76 1HD HIS 76 -8.343 1.429 -3.044 504 HD2 HIS 76 2HD HIS 76 -8.472 -2.543 -4.254 505 HE1 HIS 76 1HE HIS 76 -9.686 0.234 -1.285 506 H LEU 77 H LEU 77 -5.638 2.393 -2.938 507 HA LEU 77 HA LEU 77 -5.152 0.245 -0.987 508 HB3 LEU 77 2HB LEU 77 -3.001 1.051 -1.391 509 HG LEU 77 HG LEU 77 -4.104 3.431 -2.289 510 HD11 LEU 77 1HD1 LEU 77 -3.717 5.112 -0.869 511 HD12 LEU 77 2HD1 LEU 77 -2.181 4.432 -0.332 512 HD13 LEU 77 3HD1 LEU 77 -3.692 3.863 0.376 513 HD21 LEU 77 3HD2 LEU 77 -1.819 3.991 -2.870 514 HD22 LEU 77 1HD2 LEU 77 -2.105 2.270 -3.131 515 HD23 LEU 77 2HD2 LEU 77 -1.210 2.808 -1.709 516 H VAL 78 H VAL 78 -7.200 0.406 -0.099 517 HA VAL 78 HA VAL 78 -7.581 2.671 1.681 518 HB VAL 78 HB VAL 78 -9.799 1.873 -0.205 519 HG11 VAL 78 1HG1 VAL 78 -9.698 4.377 1.424 520 HG12 VAL 78 2HG1 VAL 78 -11.096 3.506 0.788 521 HG13 VAL 78 3HG1 VAL 78 -10.207 2.861 2.168 522 HG21 VAL 78 3HG2 VAL 78 -9.428 4.049 -1.295 523 HG22 VAL 78 1HG2 VAL 78 -7.993 4.287 -0.298 524 HG23 VAL 78 2HG2 VAL 78 -8.043 2.971 -1.471 525 H LEU 79 H LEU 79 -8.217 1.951 3.603 526 HA LEU 79 HA LEU 79 -9.514 -0.690 3.746 527 HB3 LEU 79 2HB LEU 79 -7.958 0.640 5.949 528 HG LEU 79 HG LEU 79 -9.338 -1.253 6.695 529 HD11 LEU 79 1HD1 LEU 79 -7.720 -2.844 4.711 530 HD12 LEU 79 2HD1 LEU 79 -9.444 -2.489 4.602 531 HD13 LEU 79 3HD1 LEU 79 -8.835 -3.510 5.904 532 HD21 LEU 79 3HD2 LEU 79 -6.606 -2.379 6.764 533 HD22 LEU 79 1HD2 LEU 79 -7.731 -2.039 8.080 534 HD23 LEU 79 2HD2 LEU 79 -6.798 -0.728 7.357 535 H ARG 80 H ARG 80 -11.621 -0.484 4.102 536 HA ARG 80 HA ARG 80 -13.627 0.316 4.840 537 HB3 ARG 80 2HB ARG 80 -11.979 0.761 7.336 538 HG3 ARG 80 2HG ARG 80 -14.745 -0.037 7.695 539 HD3 ARG 80 2HD ARG 80 -14.609 1.988 9.246 540 HE ARG 80 HE ARG 80 -12.503 0.243 10.117 541 HH11 ARG 80 1HH1 ARG 80 -15.929 0.530 9.578 542 HH12 ARG 80 2HH1 ARG 80 -16.345 -0.706 10.718 543 HH21 ARG 80 1HH2 ARG 80 -13.037 -1.385 11.623 544 HH22 ARG 80 2HH2 ARG 80 -14.699 -1.793 11.882 545 H LEU 81 H LEU 81 -13.611 2.119 3.386 546 HA LEU 81 HA LEU 81 -12.549 4.649 4.086 547 HB3 LEU 81 2HB LEU 81 -13.183 3.818 1.780 548 HG LEU 81 HG LEU 81 -15.339 4.185 0.884 549 HD11 LEU 81 1HD1 LEU 81 -15.715 2.753 3.510 550 HD12 LEU 81 2HD1 LEU 81 -15.017 2.042 2.056 551 HD13 LEU 81 3HD1 LEU 81 -16.699 2.571 2.056 552 HD21 LEU 81 3HD2 LEU 81 -16.967 5.457 1.786 553 HD22 LEU 81 1HD2 LEU 81 -15.638 6.125 2.732 554 HD23 LEU 81 2HD2 LEU 81 -16.668 4.871 3.424 555 H ARG 82 H ARG 82 -15.141 2.952 5.333 556 HA ARG 82 HA ARG 82 -17.161 4.789 5.715 557 HB3 ARG 82 2HB ARG 82 -16.156 2.685 7.637 558 HG3 ARG 82 2HG ARG 82 -17.713 4.411 8.648 559 HD3 ARG 82 2HD ARG 82 -19.683 3.015 6.840 560 HE ARG 82 HE ARG 82 -20.193 4.216 9.274 561 HH11 ARG 82 1HH1 ARG 82 -21.186 4.634 5.964 562 HH12 ARG 82 2HH1 ARG 82 -22.749 5.258 6.375 563 HH21 ARG 82 1HH2 ARG 82 -22.247 5.037 9.828 564 HH22 ARG 82 2HH2 ARG 82 -23.351 5.488 8.574 565 H GLY 83 H GLY 83 -16.839 6.850 6.301 566 HA2 GLY 83 2HA GLY 83 -16.236 7.581 8.920 567 HA3 GLY 83 3HA GLY 83 -14.750 7.735 7.993 568 H TYR 84 H TYR 84 -14.391 9.751 7.387 569 HA TYR 84 HA TYR 84 -16.310 11.248 5.906 570 HB3 TYR 84 2HB TYR 84 -17.096 11.563 8.286 571 HD1 TYR 84 2HD TYR 84 -15.593 10.775 10.069 572 HD2 TYR 84 1HD TYR 84 -14.923 14.477 8.081 573 HE1 TYR 84 2HE TYR 84 -14.063 11.459 11.870 574 HE2 TYR 84 1HE TYR 84 -13.390 15.170 9.876 575 HH TYR 84 HH TYR 84 -12.370 12.962 12.375 576 H ALA 85 H ALA 85 -15.419 13.697 5.843 577 HA ALA 85 HA ALA 85 -12.597 14.004 6.091 578 HB1 ALA 85 1HB ALA 85 -13.268 12.548 3.893 579 HB2 ALA 85 2HB ALA 85 -13.231 14.185 3.236 580 HB3 ALA 85 3HB ALA 85 -11.809 13.527 4.047 581 H ASP 86 H ASP 86 -11.980 15.987 4.459 582 HA ASP 86 HA ASP 86 -14.013 17.904 3.991 583 HB3 ASP 86 2HB ASP 86 -12.233 18.794 6.223 584 H LEU 87 H LEU 87 -13.169 19.922 3.167 585 HA LEU 87 HA LEU 87 -11.053 19.653 1.421 586 HB3 LEU 87 2HB LEU 87 -11.036 22.308 1.740 587 HG LEU 87 HG LEU 87 -12.113 20.812 -0.174 588 HD11 LEU 87 1HD1 LEU 87 -14.150 20.192 0.758 589 HD12 LEU 87 2HD1 LEU 87 -14.571 21.560 -0.273 590 HD13 LEU 87 3HD1 LEU 87 -14.421 21.783 1.470 591 HD21 LEU 87 3HD2 LEU 87 -11.415 22.943 -0.750 592 HD22 LEU 87 1HD2 LEU 87 -12.448 23.718 0.451 593 HD23 LEU 87 2HD2 LEU 87 -13.156 23.031 -1.012 594 H ARG 88 H ARG 88 -8.897 20.231 1.419 595 HA ARG 88 HA ARG 88 -7.559 21.635 3.435 596 HB3 ARG 88 2HB ARG 88 -6.550 18.961 3.860 597 HG3 ARG 88 2HG ARG 88 -7.400 21.265 5.496 598 HD3 ARG 88 2HD ARG 88 -7.005 19.630 7.510 599 HE ARG 88 HE ARG 88 -9.704 19.264 6.717 600 HH11 ARG 88 1HH1 ARG 88 -7.382 21.712 7.571 601 HH12 ARG 88 2HH1 ARG 88 -8.574 22.828 8.148 602 HH21 ARG 88 1HH2 ARG 88 -11.285 20.725 7.473 603 HH22 ARG 88 2HH2 ARG 88 -10.794 22.265 8.092 604 H GLU 89 H GLU 89 -5.075 20.524 3.459 605 HA GLU 89 HA GLU 89 -4.166 19.509 0.995 606 HB3 GLU 89 2HB GLU 89 -4.689 21.569 -0.033 607 HG3 GLU 89 2HG GLU 89 -3.311 23.610 1.164 608 H ASP 90 H ASP 90 -2.204 18.662 1.308 609 HA ASP 90 HA ASP 90 -0.304 18.027 2.397 610 HB3 ASP 90 2HB ASP 90 1.262 19.799 2.924 611 HA PRO 91 HA PRO 91 -2.385 18.197 6.539 612 HB3 PRO 91 2HB PRO 91 -3.695 16.380 6.030 613 HG3 PRO 91 2HG PRO 91 -3.060 14.868 4.382 614 HD3 PRO 91 2HD PRO 91 -2.800 16.845 3.227 615 H ASP 92 H ASP 92 -1.577 17.339 8.611 616 HA ASP 92 HA ASP 92 0.068 16.969 10.139 617 HB3 ASP 92 2HB ASP 92 1.781 15.743 7.993 618 H ARG 93 H ARG 93 0.012 19.472 9.130 619 HA ARG 93 HA ARG 93 2.788 20.267 9.365 620 HB3 ARG 93 2HB ARG 93 2.222 19.911 6.880 621 HG3 ARG 93 2HG ARG 93 0.812 22.536 7.305 622 HD3 ARG 93 2HD ARG 93 0.424 22.480 4.907 623 HE ARG 93 HE ARG 93 3.031 22.816 5.946 624 HH11 ARG 93 1HH1 ARG 93 1.309 22.462 2.941 625 HH12 ARG 93 2HH1 ARG 93 2.476 23.347 2.017 626 HH21 ARG 93 1HH2 ARG 93 4.576 23.982 4.739 627 HH22 ARG 93 2HH2 ARG 93 4.335 24.210 3.040 628 H GLN 94 H GLN 94 2.719 22.882 8.949 629 HA GLN 94 HA GLN 94 0.883 23.815 11.002 630 HB3 GLN 94 2HB GLN 94 3.220 24.457 11.195 631 HG3 GLN 94 2HG GLN 94 2.864 25.945 8.604 632 HE21 GLN 94 1HE2 GLN 94 4.956 26.759 7.815 633 HE22 GLN 94 2HE2 GLN 94 6.063 27.420 8.965 634 H ASP 95 H ASP 95 -0.467 25.651 10.746 635 HA ASP 95 HA ASP 95 -2.059 25.684 8.486 636 HB3 ASP 95 2HB ASP 95 -2.954 26.644 10.449 637 H HIS 96 H HIS 96 -2.134 26.844 6.611 638 HA HIS 96 HA HIS 96 -0.065 28.851 6.115 639 HB3 HIS 96 2HB HIS 96 0.158 27.694 3.770 640 HD1 HIS 96 1HD HIS 96 2.367 28.847 4.945 641 HD2 HIS 96 2HD HIS 96 1.568 24.869 5.837 642 HE1 HIS 96 1HE HIS 96 4.525 27.912 5.839 643 H HIS 97 H HIS 97 -0.455 29.618 3.657 644 HA HIS 97 HA HIS 97 -3.338 30.202 3.475 645 HB3 HIS 97 2HB HIS 97 -2.810 32.351 2.577 646 HD1 HIS 97 1HD HIS 97 0.389 31.972 4.478 647 HD2 HIS 97 2HD HIS 97 -3.533 33.164 5.150 648 HE1 HIS 97 1HE HIS 97 0.395 33.056 6.747 649 HA PRO 98 HA PRO 98 -2.172 27.774 -0.306 650 HB3 PRO 98 2HB PRO 98 -2.901 25.812 0.642 651 HG3 PRO 98 2HG PRO 98 -4.440 25.821 2.385 652 HD3 PRO 98 2HD PRO 98 -2.918 27.352 3.192 653 H GLY 99 H GLY 99 -4.005 27.111 -2.085 654 HA2 GLY 99 2HA GLY 99 -6.155 28.965 -2.377 655 HA3 GLY 99 3HA GLY 99 -4.767 29.446 -3.341 656 H SER 100 H SER 100 -7.365 28.680 -4.306 657 HA SER 100 HA SER 100 -6.581 26.915 -6.377 658 HB3 SER 100 2HB SER 100 -6.841 25.046 -5.025 659 HG SER 100 HG SER 100 -7.720 26.338 -3.238 660 H GLY 101 H GLY 101 -8.762 26.093 -7.530 661 HA2 GLY 101 2HA GLY 101 -11.071 27.711 -7.268 662 HA3 GLY 101 3HA GLY 101 -10.026 28.367 -8.520 663 H ALA 102 H ALA 102 -12.676 27.298 -8.855 664 HA ALA 102 HA ALA 102 -12.245 25.700 -11.140 665 HB1 ALA 102 1HB ALA 102 -12.993 23.572 -10.487 666 HB2 ALA 102 2HB ALA 102 -11.827 24.048 -9.251 667 HB3 ALA 102 3HB ALA 102 -13.556 24.158 -8.922 668 H GLN 103 H GLN 103 -14.394 24.795 -11.979 669 HA GLN 103 HA GLN 103 -16.389 26.882 -11.641 670 HB3 GLN 103 2HB GLN 103 -15.617 26.044 -13.900 671 HG3 GLN 103 2HG GLN 103 -15.913 23.567 -13.085 672 HE21 GLN 103 1HE2 GLN 103 -17.275 21.806 -13.166 673 HE22 GLN 103 2HE2 GLN 103 -18.994 21.957 -13.250 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -17.063 22.847 2.004 2 HA2 GLY 1 2HA GLY 1 -18.224 21.138 0.979 3 HA3 GLY 1 3HA GLY 1 -19.541 22.266 0.696 4 H SER 2 H SER 2 -16.208 22.653 -0.385 5 HA SER 2 HA SER 2 -16.871 21.885 -3.097 6 HB3 SER 2 2HB SER 2 -16.382 24.744 -2.290 7 HG SER 2 HG SER 2 -16.399 24.501 -4.931 8 H LEU 3 H LEU 3 -15.003 21.847 -4.508 9 HA LEU 3 HA LEU 3 -12.425 21.973 -3.104 10 HB3 LEU 3 2HB LEU 3 -12.722 19.698 -3.041 11 HG LEU 3 HG LEU 3 -13.541 18.305 -4.965 12 HD11 LEU 3 1HD1 LEU 3 -15.458 18.210 -3.851 13 HD12 LEU 3 2HD1 LEU 3 -15.922 19.822 -4.396 14 HD13 LEU 3 3HD1 LEU 3 -14.933 19.632 -2.948 15 HD21 LEU 3 3HD2 LEU 3 -13.272 20.381 -6.534 16 HD22 LEU 3 1HD2 LEU 3 -14.911 20.747 -5.992 17 HD23 LEU 3 2HD2 LEU 3 -14.572 19.219 -6.805 18 H VAL 4 H VAL 4 -10.565 22.114 -4.543 19 HA VAL 4 HA VAL 4 -11.256 23.288 -7.158 20 HB VAL 4 HB VAL 4 -9.090 24.623 -6.844 21 HG11 VAL 4 1HG1 VAL 4 -10.334 26.410 -6.223 22 HG12 VAL 4 2HG1 VAL 4 -11.660 25.269 -6.458 23 HG13 VAL 4 3HG1 VAL 4 -11.038 25.579 -4.836 24 HG21 VAL 4 3HG2 VAL 4 -8.320 23.293 -4.886 25 HG22 VAL 4 1HG2 VAL 4 -8.352 25.033 -4.597 26 HG23 VAL 4 2HG2 VAL 4 -9.627 24.006 -3.942 27 HA PRO 5 HA PRO 5 -8.501 20.462 -9.079 28 HB3 PRO 5 2HB PRO 5 -9.161 21.360 -11.089 29 HG3 PRO 5 2HG PRO 5 -9.569 23.639 -11.307 30 HD3 PRO 5 2HD PRO 5 -10.827 23.188 -9.429 31 H ARG 6 H ARG 6 -6.821 19.975 -7.733 32 HA ARG 6 HA ARG 6 -4.308 21.297 -8.240 33 HB3 ARG 6 2HB ARG 6 -5.139 22.724 -6.474 34 HG3 ARG 6 2HG ARG 6 -5.354 20.317 -4.689 35 HD3 ARG 6 2HD ARG 6 -6.502 21.885 -3.204 36 HE ARG 6 HE ARG 6 -3.761 22.069 -3.739 37 HH11 ARG 6 1HH1 ARG 6 -6.302 23.906 -2.227 38 HH12 ARG 6 2HH1 ARG 6 -5.241 24.699 -1.109 39 HH21 ARG 6 1HH2 ARG 6 -2.355 23.105 -2.273 40 HH22 ARG 6 2HH2 ARG 6 -2.996 24.243 -1.137 41 H GLY 7 H GLY 7 -2.636 19.902 -8.079 42 HA2 GLY 7 2HA GLY 7 -2.111 17.897 -6.351 43 HA3 GLY 7 3HA GLY 7 -3.252 17.145 -7.455 44 H SER 8 H SER 8 -0.084 17.402 -6.820 45 HA SER 8 HA SER 8 0.984 17.804 -9.445 46 HB3 SER 8 2HB SER 8 3.116 17.277 -8.482 47 HG SER 8 HG SER 8 3.031 19.024 -7.338 48 H MET 9 H MET 9 0.716 14.933 -7.344 49 HA MET 9 HA MET 9 1.048 13.243 -9.721 50 HB3 MET 9 2HB MET 9 1.951 11.610 -8.385 51 HG3 MET 9 2HG MET 9 3.078 12.727 -6.316 52 HE1 MET 9 3HE MET 9 3.386 15.310 -9.065 53 HE2 MET 9 1HE MET 9 4.499 14.617 -10.244 54 HE3 MET 9 2HE MET 9 2.844 14.018 -10.136 55 H GLN 10 H GLN 10 -0.546 11.943 -10.437 56 HA GLN 10 HA GLN 10 -2.969 11.688 -8.787 57 HB3 GLN 10 2HB GLN 10 -4.264 11.802 -10.966 58 HG3 GLN 10 2HG GLN 10 -3.108 14.445 -10.963 59 HE21 GLN 10 1HE2 GLN 10 -5.041 15.458 -9.109 60 HE22 GLN 10 2HE2 GLN 10 -6.596 15.252 -9.835 61 H ILE 11 H ILE 11 -4.045 9.743 -8.893 62 HA ILE 11 HA ILE 11 -3.118 7.705 -10.757 63 HB ILE 11 HB ILE 11 -1.901 7.754 -8.348 64 HG13 ILE 11 2HG1 ILE 11 -1.304 6.312 -10.228 65 HG21 ILE 11 1HG2 ILE 11 -4.205 7.371 -7.315 66 HG22 ILE 11 2HG2 ILE 11 -4.075 5.726 -7.936 67 HG23 ILE 11 3HG2 ILE 11 -2.890 6.327 -6.775 68 HD11 ILE 11 3HD1 ILE 11 -1.556 4.080 -8.467 69 HD12 ILE 11 1HD1 ILE 11 -0.117 4.998 -8.910 70 HD13 ILE 11 2HD1 ILE 11 -1.108 5.516 -7.546 71 H PHE 12 H PHE 12 -4.406 5.610 -10.376 72 HA PHE 12 HA PHE 12 -7.207 6.374 -9.915 73 HB3 PHE 12 2HB PHE 12 -6.884 3.800 -11.188 74 HD1 PHE 12 1HD PHE 12 -9.338 4.561 -10.518 75 HD2 PHE 12 2HD PHE 12 -7.041 6.202 -13.704 76 HE1 PHE 12 1HE PHE 12 -11.406 5.328 -11.609 77 HE2 PHE 12 2HE PHE 12 -9.105 6.972 -14.800 78 HZ PHE 12 HZ PHE 12 -11.291 6.535 -13.753 79 H VAL 13 H VAL 13 -8.189 5.630 -8.163 80 HA VAL 13 HA VAL 13 -7.322 3.063 -7.021 81 HB VAL 13 HB VAL 13 -7.917 5.546 -5.404 82 HG11 VAL 13 1HG1 VAL 13 -8.304 4.170 -3.707 83 HG12 VAL 13 2HG1 VAL 13 -7.992 2.770 -4.734 84 HG13 VAL 13 3HG1 VAL 13 -6.665 3.542 -3.866 85 HG21 VAL 13 3HG2 VAL 13 -5.437 4.418 -6.482 86 HG22 VAL 13 1HG2 VAL 13 -5.789 6.048 -5.906 87 HG23 VAL 13 2HG2 VAL 13 -5.384 4.773 -4.756 88 H LYS 14 H LYS 14 -8.937 1.731 -6.455 89 HA LYS 14 HA LYS 14 -11.674 2.828 -6.440 90 HB3 LYS 14 2HB LYS 14 -12.288 0.412 -7.142 91 HG3 LYS 14 2HG LYS 14 -11.285 0.997 -9.578 92 HD3 LYS 14 2HD LYS 14 -13.718 1.009 -8.454 93 HE3 LYS 14 2HE LYS 14 -12.864 3.834 -8.656 94 HZ1 LYS 14 3HZ LYS 14 -15.284 2.818 -9.906 95 HZ2 LYS 14 1HZ LYS 14 -14.421 4.241 -10.212 96 HZ3 LYS 14 2HZ LYS 14 -15.483 4.162 -8.898 97 H THR 15 H THR 15 -12.591 2.740 -4.509 98 HA THR 15 HA THR 15 -11.498 1.196 -2.368 99 HB THR 15 HB THR 15 -13.208 2.141 -0.983 100 HG1 THR 15 1HG THR 15 -14.483 2.757 -3.448 101 HG21 THR 15 3HG2 THR 15 -11.522 3.710 -2.621 102 HG22 THR 15 1HG2 THR 15 -12.168 4.110 -1.030 103 HG23 THR 15 2HG2 THR 15 -13.054 4.570 -2.484 104 H LEU 16 H LEU 16 -13.394 0.098 -0.925 105 HA LEU 16 HA LEU 16 -14.099 -2.258 -2.394 106 HB3 LEU 16 2HB LEU 16 -14.786 -3.167 -0.337 107 HG LEU 16 HG LEU 16 -12.302 -1.802 -0.342 108 HD11 LEU 16 1HD1 LEU 16 -12.144 -1.648 2.226 109 HD12 LEU 16 2HD1 LEU 16 -13.898 -1.483 2.171 110 HD13 LEU 16 3HD1 LEU 16 -12.877 -0.309 1.341 111 HD21 LEU 16 3HD2 LEU 16 -13.520 -4.226 0.841 112 HD22 LEU 16 1HD2 LEU 16 -12.011 -3.656 1.556 113 HD23 LEU 16 2HD2 LEU 16 -12.080 -4.052 -0.162 114 H THR 17 H THR 17 -15.775 0.593 -1.256 115 HA THR 17 HA THR 17 -18.395 -0.468 -1.853 116 HB THR 17 HB THR 17 -17.957 1.206 -0.017 117 HG1 THR 17 1HG THR 17 -19.844 2.066 -1.970 118 HG21 THR 17 3HG2 THR 17 -16.440 2.661 -1.324 119 HG22 THR 17 1HG2 THR 17 -17.779 3.550 -0.599 120 HG23 THR 17 2HG2 THR 17 -17.808 3.155 -2.318 121 H GLY 18 H GLY 18 -15.986 1.520 -3.417 122 HA2 GLY 18 2HA GLY 18 -16.223 1.311 -5.935 123 HA3 GLY 18 3HA GLY 18 -17.840 1.948 -5.675 124 H LYS 19 H LYS 19 -16.256 3.536 -3.418 125 HA LYS 19 HA LYS 19 -16.206 5.986 -4.806 126 HB3 LYS 19 2HB LYS 19 -14.718 6.591 -2.677 127 HG3 LYS 19 2HG LYS 19 -16.789 6.730 -1.289 128 HD3 LYS 19 2HD LYS 19 -17.052 7.718 -4.131 129 HE3 LYS 19 2HE LYS 19 -18.135 9.653 -2.685 130 HZ1 LYS 19 3HZ LYS 19 -20.064 9.021 -3.612 131 HZ2 LYS 19 1HZ LYS 19 -19.992 7.449 -2.992 132 HZ3 LYS 19 2HZ LYS 19 -19.118 7.850 -4.384 133 H THR 20 H THR 20 -14.464 7.307 -5.429 134 HA THR 20 HA THR 20 -11.926 5.867 -5.862 135 HB THR 20 HB THR 20 -12.963 8.032 -7.686 136 HG1 THR 20 1HG THR 20 -14.416 6.224 -7.682 137 HG21 THR 20 3HG2 THR 20 -11.140 5.829 -8.513 138 HG22 THR 20 1HG2 THR 20 -10.481 7.128 -7.520 139 HG23 THR 20 2HG2 THR 20 -11.223 7.497 -9.078 140 H ILE 21 H ILE 21 -10.090 6.853 -5.243 141 HA ILE 21 HA ILE 21 -10.221 9.697 -4.496 142 HB ILE 21 HB ILE 21 -8.569 9.069 -2.632 143 HG13 ILE 21 2HG1 ILE 21 -8.410 6.876 -1.901 144 HG21 ILE 21 1HG2 ILE 21 -10.583 9.865 -1.863 145 HG22 ILE 21 2HG2 ILE 21 -11.511 8.594 -2.656 146 HG23 ILE 21 3HG2 ILE 21 -10.593 8.233 -1.194 147 HD11 ILE 21 3HD1 ILE 21 -10.030 5.123 -3.078 148 HD12 ILE 21 1HD1 ILE 21 -10.425 5.927 -1.559 149 HD13 ILE 21 2HD1 ILE 21 -11.093 6.530 -3.077 150 H THR 22 H THR 22 -8.533 10.918 -5.125 151 HA THR 22 HA THR 22 -6.590 9.744 -6.897 152 HB THR 22 HB THR 22 -6.399 12.588 -5.996 153 HG1 THR 22 1HG THR 22 -8.045 13.011 -7.669 154 HG21 THR 22 3HG2 THR 22 -6.060 12.794 -8.545 155 HG22 THR 22 1HG2 THR 22 -5.892 11.038 -8.517 156 HG23 THR 22 2HG2 THR 22 -4.779 12.047 -7.591 157 H LEU 23 H LEU 23 -4.698 8.942 -6.290 158 HA LEU 23 HA LEU 23 -3.465 9.963 -3.816 159 HB3 LEU 23 2HB LEU 23 -2.569 7.799 -3.383 160 HG LEU 23 HG LEU 23 -5.336 7.076 -4.298 161 HD11 LEU 23 1HD1 LEU 23 -3.873 5.319 -3.371 162 HD12 LEU 23 2HD1 LEU 23 -5.292 5.626 -2.371 163 HD13 LEU 23 3HD1 LEU 23 -3.719 6.262 -1.888 164 HD21 LEU 23 3HD2 LEU 23 -5.805 7.876 -1.810 165 HD22 LEU 23 1HD2 LEU 23 -5.959 8.963 -3.191 166 HD23 LEU 23 2HD2 LEU 23 -4.501 8.998 -2.200 167 H GLU 24 H GLU 24 -1.110 9.883 -3.749 168 HA GLU 24 HA GLU 24 0.019 10.555 -6.360 169 HB3 GLU 24 2HB GLU 24 0.242 12.095 -4.367 170 HG3 GLU 24 2HG GLU 24 1.230 9.813 -3.091 171 H VAL 25 H VAL 25 1.951 9.648 -7.129 172 HA VAL 25 HA VAL 25 3.058 7.349 -5.717 173 HB VAL 25 HB VAL 25 2.983 6.118 -8.026 174 HG11 VAL 25 1HG1 VAL 25 0.419 6.243 -6.464 175 HG12 VAL 25 2HG1 VAL 25 1.143 4.855 -7.279 176 HG13 VAL 25 3HG1 VAL 25 1.883 5.506 -5.815 177 HG21 VAL 25 3HG2 VAL 25 0.500 7.815 -8.234 178 HG22 VAL 25 1HG2 VAL 25 1.960 8.062 -9.193 179 HG23 VAL 25 2HG2 VAL 25 1.037 6.568 -9.359 180 H GLU 26 H GLU 26 5.142 6.755 -6.407 181 HA GLU 26 HA GLU 26 6.446 7.904 -8.640 182 HB3 GLU 26 2HB GLU 26 8.037 9.085 -6.677 183 HG3 GLU 26 2HG GLU 26 6.068 10.849 -7.969 184 HA PRO 27 HA PRO 27 9.328 4.710 -7.782 185 HB3 PRO 27 2HB PRO 27 10.313 5.193 -9.800 186 HG3 PRO 27 2HG PRO 27 10.521 7.388 -10.538 187 HD3 PRO 27 2HD PRO 27 8.287 7.370 -9.975 188 H SER 28 H SER 28 10.113 7.934 -6.642 189 HA SER 28 HA SER 28 11.911 6.781 -4.619 190 HB3 SER 28 2HB SER 28 11.859 9.687 -4.700 191 HG SER 28 HG SER 28 13.531 8.007 -3.996 192 H ASP 29 H ASP 29 8.827 8.102 -5.076 193 HA ASP 29 HA ASP 29 8.567 8.964 -2.295 194 HB3 ASP 29 2HB ASP 29 6.306 9.028 -4.257 195 H THR 30 H THR 30 8.271 7.312 -0.935 196 HA THR 30 HA THR 30 6.811 4.945 -1.718 197 HB THR 30 HB THR 30 7.472 5.313 1.138 198 HG1 THR 30 1HG THR 30 9.728 4.970 0.686 199 HG21 THR 30 3HG2 THR 30 8.593 3.035 0.554 200 HG22 THR 30 1HG2 THR 30 7.675 3.171 -0.944 201 HG23 THR 30 2HG2 THR 30 6.834 3.148 0.607 202 H ILE 31 H ILE 31 5.186 4.069 -0.039 203 HA ILE 31 HA ILE 31 2.894 5.636 -0.085 204 HB ILE 31 HB ILE 31 3.639 3.267 1.612 205 HG13 ILE 31 2HG1 ILE 31 1.960 3.743 -0.838 206 HG21 ILE 31 1HG2 ILE 31 1.197 4.978 1.734 207 HG22 ILE 31 2HG2 ILE 31 1.059 3.243 2.011 208 HG23 ILE 31 3HG2 ILE 31 2.105 4.219 3.041 209 HD11 ILE 31 3HD1 ILE 31 4.168 3.081 -1.371 210 HD12 ILE 31 1HD1 ILE 31 4.149 1.804 -0.155 211 HD13 ILE 31 2HD1 ILE 31 3.135 1.670 -1.593 212 H GLU 32 H GLU 32 5.523 5.622 2.161 213 HA GLU 32 HA GLU 32 4.405 6.589 4.481 214 HB3 GLU 32 2HB GLU 32 7.007 7.589 3.322 215 HG3 GLU 32 2HG GLU 32 5.935 7.334 6.100 216 H ASN 33 H ASN 33 5.645 8.549 1.771 217 HA ASN 33 HA ASN 33 4.569 10.973 2.873 218 HB3 ASN 33 2HB ASN 33 5.809 10.359 0.184 219 HD21 ASN 33 1HD2 ASN 33 6.752 13.211 1.577 220 HD22 ASN 33 2HD2 ASN 33 5.767 14.301 0.668 221 H VAL 34 H VAL 34 3.574 8.592 0.521 222 HA VAL 34 HA VAL 34 1.589 10.044 -0.817 223 HB VAL 34 HB VAL 34 1.579 7.087 -0.200 224 HG11 VAL 34 1HG1 VAL 34 -0.511 7.377 -1.049 225 HG12 VAL 34 2HG1 VAL 34 -0.068 8.838 -1.936 226 HG13 VAL 34 3HG1 VAL 34 0.380 7.253 -2.565 227 HG21 VAL 34 3HG2 VAL 34 3.373 6.950 -1.505 228 HG22 VAL 34 1HG2 VAL 34 2.383 7.537 -2.841 229 HG23 VAL 34 2HG2 VAL 34 3.308 8.676 -1.862 230 H LYS 35 H LYS 35 1.576 8.412 2.279 231 HA LYS 35 HA LYS 35 -1.128 8.176 2.784 232 HB3 LYS 35 2HB LYS 35 0.942 7.526 4.225 233 HG3 LYS 35 2HG LYS 35 0.203 10.091 5.608 234 HD3 LYS 35 2HD LYS 35 2.740 8.819 6.232 235 HE3 LYS 35 2HE LYS 35 0.923 10.498 7.454 236 HZ1 LYS 35 3HZ LYS 35 -0.460 9.216 8.612 237 HZ2 LYS 35 1HZ LYS 35 0.862 8.836 9.596 238 HZ3 LYS 35 2HZ LYS 35 0.433 7.809 8.323 239 H ALA 36 H ALA 36 0.842 11.035 2.677 240 HA ALA 36 HA ALA 36 -0.984 12.742 4.064 241 HB1 ALA 36 1HB ALA 36 1.638 12.945 3.174 242 HB2 ALA 36 2HB ALA 36 0.750 14.131 2.215 243 HB3 ALA 36 3HB ALA 36 0.693 14.200 3.977 244 H LYS 37 H LYS 37 -0.511 11.779 0.732 245 HA LYS 37 HA LYS 37 -2.239 13.784 -0.369 246 HB3 LYS 37 2HB LYS 37 -2.027 11.543 -2.117 247 HG3 LYS 37 2HG LYS 37 -1.797 14.210 -2.387 248 HD3 LYS 37 2HD LYS 37 0.800 13.862 -3.410 249 HE3 LYS 37 2HE LYS 37 1.324 15.553 -1.546 250 HZ1 LYS 37 3HZ LYS 37 -0.676 16.994 -2.728 251 HZ2 LYS 37 1HZ LYS 37 -0.296 15.815 -3.880 252 HZ3 LYS 37 2HZ LYS 37 0.912 16.842 -3.290 253 H ILE 38 H ILE 38 -2.549 10.278 0.177 254 HA ILE 38 HA ILE 38 -5.216 10.060 -0.678 255 HB ILE 38 HB ILE 38 -3.888 8.074 -0.457 256 HG13 ILE 38 2HG1 ILE 38 -5.563 6.711 0.281 257 HG21 ILE 38 1HG2 ILE 38 -2.394 8.686 1.302 258 HG22 ILE 38 2HG2 ILE 38 -3.715 8.790 2.462 259 HG23 ILE 38 3HG2 ILE 38 -3.243 7.224 1.802 260 HD11 ILE 38 3HD1 ILE 38 -5.345 6.697 2.585 261 HD12 ILE 38 1HD1 ILE 38 -5.665 8.425 2.725 262 HD13 ILE 38 2HD1 ILE 38 -6.978 7.314 2.335 263 H GLN 39 H GLN 39 -3.807 10.906 2.425 264 HA GLN 39 HA GLN 39 -6.151 10.687 3.978 265 HB3 GLN 39 2HB GLN 39 -3.751 12.479 4.388 266 HG3 GLN 39 2HG GLN 39 -5.658 11.434 6.463 267 HE21 GLN 39 1HE2 GLN 39 -5.370 13.916 7.874 268 HE22 GLN 39 2HE2 GLN 39 -3.800 13.908 8.593 269 H ASP 40 H ASP 40 -4.964 13.150 1.832 270 HA ASP 40 HA ASP 40 -6.689 15.231 2.776 271 HB3 ASP 40 2HB ASP 40 -5.135 14.935 0.198 272 H LYS 41 H LYS 41 -6.971 12.608 0.534 273 HA LYS 41 HA LYS 41 -9.190 13.636 -0.936 274 HB3 LYS 41 2HB LYS 41 -9.342 11.464 -1.922 275 HG3 LYS 41 2HG LYS 41 -7.026 10.882 -2.510 276 HD3 LYS 41 2HD LYS 41 -8.118 13.618 -2.646 277 HE3 LYS 41 2HE LYS 41 -5.825 13.929 -4.091 278 HZ1 LYS 41 3HZ LYS 41 -6.410 15.754 -2.894 279 HZ2 LYS 41 1HZ LYS 41 -5.124 15.220 -1.931 280 HZ3 LYS 41 2HZ LYS 41 -6.717 14.886 -1.474 281 H GLU 42 H GLU 42 -8.959 11.064 1.529 282 HA GLU 42 HA GLU 42 -11.718 11.718 2.322 283 HB3 GLU 42 2HB GLU 42 -11.082 9.421 1.043 284 HG3 GLU 42 2HG GLU 42 -9.679 8.816 3.129 285 H GLY 43 H GLY 43 -8.515 10.670 3.254 286 HA2 GLY 43 2HA GLY 43 -7.475 11.223 5.289 287 HA3 GLY 43 3HA GLY 43 -9.056 11.558 5.980 288 H ILE 44 H ILE 44 -7.818 8.660 4.337 289 HA ILE 44 HA ILE 44 -8.853 7.021 6.499 290 HB ILE 44 HB ILE 44 -8.370 6.626 3.718 291 HG13 ILE 44 2HG1 ILE 44 -10.073 5.722 5.767 292 HG21 ILE 44 1HG2 ILE 44 -6.991 4.602 5.477 293 HG22 ILE 44 2HG2 ILE 44 -7.250 4.460 3.739 294 HG23 ILE 44 3HG2 ILE 44 -6.195 5.723 4.373 295 HD11 ILE 44 3HD1 ILE 44 -10.065 5.824 2.894 296 HD12 ILE 44 1HD1 ILE 44 -10.825 4.342 3.475 297 HD13 ILE 44 2HD1 ILE 44 -11.417 5.912 4.022 298 HA PRO 45 HA PRO 45 -5.041 6.437 8.611 299 HB3 PRO 45 2HB PRO 45 -6.269 5.401 10.252 300 HG3 PRO 45 2HG PRO 45 -8.107 4.078 9.723 301 HD3 PRO 45 2HD PRO 45 -8.610 5.965 8.499 302 HA PRO 46 HA PRO 46 -2.788 4.235 5.381 303 HB3 PRO 46 2HB PRO 46 -1.545 6.148 5.110 304 HG3 PRO 46 2HG PRO 46 -1.232 7.636 6.870 305 HD3 PRO 46 2HD PRO 46 -3.521 7.387 6.963 306 H ASP 47 H ASP 47 -2.307 4.238 8.829 307 HA ASP 47 HA ASP 47 -0.366 2.107 8.812 308 HB3 ASP 47 2HB ASP 47 -1.024 2.128 11.353 309 H GLN 48 H GLN 48 -3.770 2.351 8.689 310 HA GLN 48 HA GLN 48 -4.074 -0.461 9.496 311 HB3 GLN 48 2HB GLN 48 -6.508 0.083 9.666 312 HG3 GLN 48 2HG GLN 48 -6.250 1.787 11.592 313 HE21 GLN 48 1HE2 GLN 48 -7.343 0.326 12.745 314 HE22 GLN 48 2HE2 GLN 48 -6.692 -1.163 13.332 315 H GLN 49 H GLN 49 -4.353 1.765 6.867 316 HA GLN 49 HA GLN 49 -6.055 0.254 5.191 317 HB3 GLN 49 2HB GLN 49 -5.293 2.722 4.987 318 HG3 GLN 49 2HG GLN 49 -3.146 1.388 3.352 319 HE21 GLN 49 1HE2 GLN 49 -1.480 3.606 3.459 320 HE22 GLN 49 2HE2 GLN 49 -2.155 4.860 2.482 321 H ARG 50 H ARG 50 -5.505 -0.972 3.309 322 HA ARG 50 HA ARG 50 -2.896 -2.323 3.543 323 HB3 ARG 50 2HB ARG 50 -4.534 -3.934 4.057 324 HG3 ARG 50 2HG ARG 50 -6.111 -2.935 1.698 325 HD3 ARG 50 2HD ARG 50 -5.952 -5.530 2.345 326 HE ARG 50 HE ARG 50 -6.932 -5.775 4.405 327 HH11 ARG 50 1HH1 ARG 50 -8.822 -3.576 2.477 328 HH12 ARG 50 2HH1 ARG 50 -10.141 -3.520 3.599 329 HH21 ARG 50 1HH2 ARG 50 -8.662 -5.708 5.890 330 HH22 ARG 50 2HH2 ARG 50 -10.049 -4.733 5.540 331 H LEU 51 H LEU 51 -1.755 -2.818 1.665 332 HA LEU 51 HA LEU 51 -2.435 -1.133 -0.623 333 HB3 LEU 51 2HB LEU 51 -0.064 -2.046 -1.324 334 HG LEU 51 HG LEU 51 -0.305 0.303 -0.860 335 HD11 LEU 51 1HD1 LEU 51 -0.559 -0.625 1.972 336 HD12 LEU 51 2HD1 LEU 51 -1.576 0.494 1.066 337 HD13 LEU 51 3HD1 LEU 51 0.024 0.999 1.609 338 HD21 LEU 51 3HD2 LEU 51 1.972 -1.255 0.026 339 HD22 LEU 51 1HD2 LEU 51 1.864 0.294 0.862 340 HD23 LEU 51 2HD2 LEU 51 1.919 0.246 -0.900 341 H ILE 52 H ILE 52 -3.277 -1.933 -2.427 342 HA ILE 52 HA ILE 52 -2.989 -4.820 -2.949 343 HB ILE 52 HB ILE 52 -5.397 -3.060 -3.378 344 HG13 ILE 52 2HG1 ILE 52 -4.785 -5.485 -1.706 345 HG21 ILE 52 1HG2 ILE 52 -5.462 -4.243 -5.343 346 HG22 ILE 52 2HG2 ILE 52 -4.641 -5.643 -4.655 347 HG23 ILE 52 3HG2 ILE 52 -6.334 -5.339 -4.270 348 HD11 ILE 52 3HD1 ILE 52 -5.430 -2.696 -1.181 349 HD12 ILE 52 1HD1 ILE 52 -6.425 -3.836 -0.275 350 HD13 ILE 52 2HD1 ILE 52 -4.668 -3.903 -0.145 351 H PHE 53 H PHE 53 -1.819 -5.189 -4.702 352 HA PHE 53 HA PHE 53 -1.924 -3.234 -6.904 353 HB3 PHE 53 2HB PHE 53 0.348 -4.956 -5.919 354 HD1 PHE 53 2HD PHE 53 -0.823 -2.903 -8.772 355 HD2 PHE 53 1HD PHE 53 2.218 -5.450 -7.227 356 HE1 PHE 53 2HE PHE 53 0.231 -2.986 -10.992 357 HE2 PHE 53 1HE PHE 53 3.278 -5.535 -9.446 358 HZ PHE 53 HZ PHE 53 2.283 -4.303 -11.332 359 H ALA 54 H ALA 54 -2.859 -3.941 -8.695 360 HA ALA 54 HA ALA 54 -3.773 -5.316 -10.264 361 HB1 ALA 54 1HB ALA 54 -1.187 -6.671 -9.611 362 HB2 ALA 54 2HB ALA 54 -2.311 -7.396 -10.763 363 HB3 ALA 54 3HB ALA 54 -1.653 -5.789 -11.066 364 H GLY 55 H GLY 55 -4.626 -5.654 -7.488 365 HA2 GLY 55 2HA GLY 55 -6.359 -7.007 -6.666 366 HA3 GLY 55 3HA GLY 55 -5.904 -8.253 -7.820 367 H LYS 56 H LYS 56 -3.022 -7.800 -6.863 368 HA LYS 56 HA LYS 56 -3.222 -9.663 -4.610 369 HB3 LYS 56 2HB LYS 56 -0.826 -8.938 -6.308 370 HG3 LYS 56 2HG LYS 56 -0.713 -10.098 -3.870 371 HD3 LYS 56 2HD LYS 56 -1.301 -12.223 -5.885 372 HE3 LYS 56 2HE LYS 56 0.378 -12.684 -3.426 373 HZ1 LYS 56 3HZ LYS 56 -1.156 -14.444 -4.666 374 HZ2 LYS 56 1HZ LYS 56 0.323 -14.862 -3.956 375 HZ3 LYS 56 2HZ LYS 56 0.232 -14.588 -5.623 376 H GLN 57 H GLN 57 -2.810 -9.020 -2.603 377 HA GLN 57 HA GLN 57 -2.031 -6.325 -2.054 378 HB3 GLN 57 2HB GLN 57 -2.580 -8.717 -0.307 379 HG3 GLN 57 2HG GLN 57 -1.475 -6.073 0.458 380 HE21 GLN 57 1HE2 GLN 57 -1.533 -5.988 3.028 381 HE22 GLN 57 2HE2 GLN 57 -3.134 -5.942 3.676 382 H LEU 58 H LEU 58 -0.154 -5.572 -1.078 383 HA LEU 58 HA LEU 58 2.096 -7.463 -0.950 384 HB3 LEU 58 2HB LEU 58 2.200 -6.146 -3.024 385 HG LEU 58 HG LEU 58 2.065 -3.801 -1.195 386 HD11 LEU 58 1HD1 LEU 58 3.143 -2.649 -3.364 387 HD12 LEU 58 2HD1 LEU 58 4.037 -4.169 -3.358 388 HD13 LEU 58 3HD1 LEU 58 4.080 -3.115 -1.945 389 HD21 LEU 58 3HD2 LEU 58 0.812 -4.771 -3.662 390 HD22 LEU 58 1HD2 LEU 58 1.199 -3.050 -3.659 391 HD23 LEU 58 2HD2 LEU 58 0.171 -3.724 -2.394 392 H GLU 59 H GLU 59 4.070 -5.842 -0.062 393 HA GLU 59 HA GLU 59 3.024 -4.892 2.521 394 HB3 GLU 59 2HB GLU 59 5.148 -5.472 3.505 395 HG3 GLU 59 2HG GLU 59 5.347 -7.903 2.990 396 H ASP 60 H ASP 60 5.186 -3.529 3.467 397 HA ASP 60 HA ASP 60 5.699 -1.429 1.474 398 HB3 ASP 60 2HB ASP 60 5.334 -0.541 4.274 399 H GLY 61 H GLY 61 7.224 0.278 2.920 400 HA2 GLY 61 2HA GLY 61 9.099 0.081 4.570 401 HA3 GLY 61 3HA GLY 61 9.495 -1.422 3.749 402 H ARG 62 H ARG 62 9.992 -1.215 1.386 403 HA ARG 62 HA ARG 62 11.852 0.987 1.038 404 HB3 ARG 62 2HB ARG 62 12.719 -0.255 -0.832 405 HG3 ARG 62 2HG ARG 62 13.287 -2.401 0.115 406 HD3 ARG 62 2HD ARG 62 13.071 -0.279 2.247 407 HE ARG 62 HE ARG 62 13.992 -1.993 3.466 408 HH11 ARG 62 1HH1 ARG 62 15.492 -1.854 0.327 409 HH12 ARG 62 2HH1 ARG 62 16.739 -2.989 0.728 410 HH21 ARG 62 1HH2 ARG 62 15.628 -3.489 4.007 411 HH22 ARG 62 2HH2 ARG 62 16.814 -3.919 2.821 412 H THR 63 H THR 63 11.996 1.955 -1.218 413 HA THR 63 HA THR 63 9.467 3.174 -1.818 414 HB THR 63 HB THR 63 10.755 4.394 -3.588 415 HG1 THR 63 1HG THR 63 13.126 4.091 -3.329 416 HG21 THR 63 3HG2 THR 63 10.717 5.659 -1.684 417 HG22 THR 63 1HG2 THR 63 12.452 5.363 -1.787 418 HG23 THR 63 2HG2 THR 63 11.456 4.397 -0.698 419 H LEU 64 H LEU 64 8.578 3.303 -4.007 420 HA LEU 64 HA LEU 64 7.929 0.850 -5.087 421 HB3 LEU 64 2HB LEU 64 7.006 2.025 -6.952 422 HG LEU 64 HG LEU 64 6.804 4.055 -4.740 423 HD11 LEU 64 1HD1 LEU 64 4.701 3.174 -6.691 424 HD12 LEU 64 2HD1 LEU 64 5.841 4.467 -7.060 425 HD13 LEU 64 3HD1 LEU 64 4.740 4.626 -5.692 426 HD21 LEU 64 3HD2 LEU 64 4.707 2.579 -4.213 427 HD22 LEU 64 1HD2 LEU 64 6.283 2.169 -3.536 428 HD23 LEU 64 2HD2 LEU 64 5.677 1.301 -4.947 429 H SER 65 H SER 65 10.545 3.038 -5.994 430 HA SER 65 HA SER 65 11.380 1.531 -8.263 431 HB3 SER 65 2HB SER 65 12.807 3.625 -6.609 432 HG SER 65 HG SER 65 13.660 3.211 -9.174 433 H GLU 66 H GLU 66 12.162 1.489 -4.853 434 HA GLU 66 HA GLU 66 14.459 -0.198 -5.116 435 HB3 GLU 66 2HB GLU 66 13.934 -0.534 -2.570 436 HG3 GLU 66 2HG GLU 66 14.808 1.732 -2.019 437 H TYR 67 H TYR 67 11.029 -0.690 -4.594 438 HA TYR 67 HA TYR 67 11.349 -3.520 -4.068 439 HB3 TYR 67 2HB TYR 67 8.638 -2.713 -4.686 440 HD1 TYR 67 1HD TYR 67 8.645 -5.199 -4.167 441 HD2 TYR 67 2HD TYR 67 9.595 -2.238 -1.264 442 HE1 TYR 67 1HE TYR 67 8.208 -6.826 -2.375 443 HE2 TYR 67 2HE TYR 67 9.161 -3.858 0.537 444 HH TYR 67 HH TYR 67 7.495 -6.285 0.465 445 H ASN 68 H ASN 68 11.340 -1.607 -6.789 446 HA ASN 68 HA ASN 68 11.125 -1.996 -9.021 447 HB3 ASN 68 2HB ASN 68 11.915 -4.060 -9.823 448 HD21 ASN 68 1HD2 ASN 68 13.400 -2.128 -8.887 449 HD22 ASN 68 2HD2 ASN 68 14.666 -2.708 -7.864 450 H ILE 69 H ILE 69 8.714 -1.845 -7.465 451 HA ILE 69 HA ILE 69 6.934 -3.740 -8.824 452 HB ILE 69 HB ILE 69 5.190 -2.846 -7.255 453 HG13 ILE 69 2HG1 ILE 69 6.318 -0.685 -6.793 454 HG21 ILE 69 1HG2 ILE 69 7.304 -4.657 -6.789 455 HG22 ILE 69 2HG2 ILE 69 7.025 -3.784 -5.283 456 HG23 ILE 69 3HG2 ILE 69 5.697 -4.646 -6.060 457 HD11 ILE 69 3HD1 ILE 69 4.663 -1.416 -5.179 458 HD12 ILE 69 1HD1 ILE 69 5.892 -2.341 -4.317 459 HD13 ILE 69 2HD1 ILE 69 5.994 -0.580 -4.378 460 H GLN 70 H GLN 70 4.893 -2.914 -9.695 461 HA GLN 70 HA GLN 70 5.344 -0.414 -11.133 462 HB3 GLN 70 2HB GLN 70 3.702 -1.144 -12.683 463 HG3 GLN 70 2HG GLN 70 4.402 -3.299 -13.417 464 HE21 GLN 70 1HE2 GLN 70 7.147 -3.829 -11.960 465 HE22 GLN 70 2HE2 GLN 70 8.184 -2.681 -12.728 466 H LYS 71 H LYS 71 4.660 -0.316 -8.340 467 HA LYS 71 HA LYS 71 1.941 0.205 -7.885 468 HB3 LYS 71 2HB LYS 71 4.432 1.205 -6.508 469 HG3 LYS 71 2HG LYS 71 1.654 1.989 -6.065 470 HD3 LYS 71 2HD LYS 71 3.317 1.265 -3.663 471 HE3 LYS 71 2HE LYS 71 1.310 1.675 -2.426 472 HZ1 LYS 71 3HZ LYS 71 2.633 3.649 -3.201 473 HZ2 LYS 71 1HZ LYS 71 1.036 3.974 -2.747 474 HZ3 LYS 71 2HZ LYS 71 1.449 3.891 -4.385 475 H GLU 72 H GLU 72 4.314 1.999 -9.567 476 HA GLU 72 HA GLU 72 2.969 4.549 -9.260 477 HB3 GLU 72 2HB GLU 72 5.363 4.621 -9.405 478 HG3 GLU 72 2HG GLU 72 5.012 3.026 -11.912 479 H SER 73 H SER 73 1.153 2.821 -10.229 480 HA SER 73 HA SER 73 0.585 3.939 -12.842 481 HB3 SER 73 2HB SER 73 1.040 0.994 -12.392 482 HG SER 73 HG SER 73 -0.208 2.054 -14.691 483 H THR 74 H THR 74 -0.687 1.040 -11.248 484 HA THR 74 HA THR 74 -3.151 2.507 -10.611 485 HB THR 74 HB THR 74 -3.567 -0.274 -11.490 486 HG1 THR 74 1HG THR 74 -2.595 -0.009 -13.346 487 HG21 THR 74 3HG2 THR 74 -5.452 0.919 -12.721 488 HG22 THR 74 1HG2 THR 74 -4.930 2.380 -11.885 489 HG23 THR 74 2HG2 THR 74 -5.490 0.988 -10.959 490 H LEU 75 H LEU 75 -3.245 2.415 -8.458 491 HA LEU 75 HA LEU 75 -2.976 -0.216 -7.177 492 HB3 LEU 75 2HB LEU 75 -2.181 1.659 -5.269 493 HG LEU 75 HG LEU 75 0.171 0.751 -5.666 494 HD11 LEU 75 1HD1 LEU 75 -1.039 -1.698 -5.159 495 HD12 LEU 75 2HD1 LEU 75 -2.206 -0.498 -4.605 496 HD13 LEU 75 3HD1 LEU 75 -0.560 -0.485 -3.973 497 HD21 LEU 75 3HD2 LEU 75 -0.363 0.150 -8.073 498 HD22 LEU 75 1HD2 LEU 75 -1.264 -1.221 -7.424 499 HD23 LEU 75 2HD2 LEU 75 0.467 -1.080 -7.119 500 H HIS 76 H HIS 76 -4.156 -0.454 -5.194 501 HA HIS 76 HA HIS 76 -6.214 1.585 -4.715 502 HB3 HIS 76 2HB HIS 76 -6.602 -1.252 -5.504 503 HD1 HIS 76 1HD HIS 76 -8.253 1.058 -2.988 504 HD2 HIS 76 2HD HIS 76 -8.413 -2.883 -4.291 505 HE1 HIS 76 1HE HIS 76 -9.832 -0.106 -1.415 506 H LEU 77 H LEU 77 -5.741 2.262 -2.720 507 HA LEU 77 HA LEU 77 -5.511 0.236 -0.605 508 HB3 LEU 77 2HB LEU 77 -3.286 0.870 -0.819 509 HG LEU 77 HG LEU 77 -4.196 3.311 -1.933 510 HD11 LEU 77 1HD1 LEU 77 -2.875 3.596 0.696 511 HD12 LEU 77 2HD1 LEU 77 -3.995 4.673 -0.138 512 HD13 LEU 77 3HD1 LEU 77 -2.295 4.634 -0.605 513 HD21 LEU 77 3HD2 LEU 77 -2.448 1.904 -2.855 514 HD22 LEU 77 1HD2 LEU 77 -1.427 2.214 -1.451 515 HD23 LEU 77 2HD2 LEU 77 -1.828 3.529 -2.557 516 H VAL 78 H VAL 78 -7.566 0.554 0.161 517 HA VAL 78 HA VAL 78 -7.992 3.035 1.628 518 HB VAL 78 HB VAL 78 -10.281 2.020 -0.015 519 HG11 VAL 78 1HG1 VAL 78 -10.656 4.631 0.125 520 HG12 VAL 78 2HG1 VAL 78 -11.099 3.564 1.458 521 HG13 VAL 78 3HG1 VAL 78 -9.588 4.471 1.519 522 HG21 VAL 78 3HG2 VAL 78 -9.723 3.681 -1.753 523 HG22 VAL 78 1HG2 VAL 78 -8.182 3.977 -0.946 524 HG23 VAL 78 2HG2 VAL 78 -8.524 2.392 -1.641 525 H LEU 79 H LEU 79 -8.955 2.702 3.546 526 HA LEU 79 HA LEU 79 -10.091 0.029 4.047 527 HB3 LEU 79 2HB LEU 79 -9.009 1.786 6.211 528 HG LEU 79 HG LEU 79 -10.106 -0.247 6.979 529 HD11 LEU 79 1HD1 LEU 79 -9.918 -1.670 5.078 530 HD12 LEU 79 2HD1 LEU 79 -9.065 -2.448 6.412 531 HD13 LEU 79 3HD1 LEU 79 -8.156 -1.625 5.145 532 HD21 LEU 79 3HD2 LEU 79 -7.334 0.419 7.441 533 HD22 LEU 79 1HD2 LEU 79 -7.635 -1.298 7.706 534 HD23 LEU 79 2HD2 LEU 79 -8.575 -0.092 8.586 535 H ARG 80 H ARG 80 -12.233 0.127 4.144 536 HA ARG 80 HA ARG 80 -14.353 0.922 4.464 537 HB3 ARG 80 2HB ARG 80 -13.172 1.955 7.046 538 HG3 ARG 80 2HG ARG 80 -15.825 0.650 6.901 539 HD3 ARG 80 2HD ARG 80 -14.522 1.622 8.949 540 HE ARG 80 HE ARG 80 -14.750 3.985 7.627 541 HH11 ARG 80 1HH1 ARG 80 -16.035 2.738 10.612 542 HH12 ARG 80 2HH1 ARG 80 -16.095 4.287 11.386 543 HH21 ARG 80 1HH2 ARG 80 -14.824 6.030 8.633 544 HH22 ARG 80 2HH2 ARG 80 -15.407 6.159 10.258 545 H LEU 81 H LEU 81 -13.772 2.519 2.699 546 HA LEU 81 HA LEU 81 -13.041 5.145 3.111 547 HB3 LEU 81 2HB LEU 81 -13.436 3.971 0.920 548 HG LEU 81 HG LEU 81 -15.493 3.974 -0.183 549 HD11 LEU 81 1HD1 LEU 81 -16.159 3.198 2.652 550 HD12 LEU 81 2HD1 LEU 81 -15.274 2.189 1.509 551 HD13 LEU 81 3HD1 LEU 81 -16.951 2.627 1.183 552 HD21 LEU 81 3HD2 LEU 81 -17.246 5.340 0.222 553 HD22 LEU 81 1HD2 LEU 81 -16.022 6.288 1.068 554 HD23 LEU 81 2HD2 LEU 81 -17.085 5.211 1.974 555 H ARG 82 H ARG 82 -14.542 7.083 2.817 556 HA ARG 82 HA ARG 82 -16.854 6.767 4.617 557 HB3 ARG 82 2HB ARG 82 -15.039 9.151 4.225 558 HG3 ARG 82 2HG ARG 82 -17.278 9.949 4.684 559 HD3 ARG 82 2HD ARG 82 -17.147 8.053 7.024 560 HE ARG 82 HE ARG 82 -18.607 10.483 6.852 561 HH11 ARG 82 1HH1 ARG 82 -18.861 7.163 7.870 562 HH12 ARG 82 2HH1 ARG 82 -20.074 7.486 9.064 563 HH21 ARG 82 1HH2 ARG 82 -20.203 10.921 8.422 564 HH22 ARG 82 2HH2 ARG 82 -20.838 9.623 9.376 565 H GLY 83 H GLY 83 -15.628 8.886 2.016 566 HA2 GLY 83 2HA GLY 83 -16.779 9.384 0.019 567 HA3 GLY 83 3HA GLY 83 -18.256 8.763 0.742 568 H TYR 84 H TYR 84 -18.279 11.125 -0.657 569 HA TYR 84 HA TYR 84 -18.876 13.319 -0.541 570 HB3 TYR 84 2HB TYR 84 -19.749 12.795 2.293 571 HD1 TYR 84 1HD TYR 84 -20.742 14.190 -1.033 572 HD2 TYR 84 2HD TYR 84 -20.946 14.544 3.202 573 HE1 TYR 84 1HE TYR 84 -21.997 16.292 -1.274 574 HE2 TYR 84 2HE TYR 84 -22.203 16.646 2.972 575 HH TYR 84 HH TYR 84 -23.535 17.676 0.010 576 H ALA 85 H ALA 85 -16.250 13.124 -0.203 577 HA ALA 85 HA ALA 85 -15.469 14.533 2.227 578 HB1 ALA 85 1HB ALA 85 -13.851 13.380 -0.039 579 HB2 ALA 85 2HB ALA 85 -13.158 14.231 1.342 580 HB3 ALA 85 3HB ALA 85 -14.038 12.723 1.587 581 H ASP 86 H ASP 86 -13.484 16.150 1.565 582 HA ASP 86 HA ASP 86 -14.239 17.872 -0.644 583 HB3 ASP 86 2HB ASP 86 -15.684 18.864 0.920 584 H LEU 87 H LEU 87 -12.760 20.005 -0.368 585 HA LEU 87 HA LEU 87 -10.056 19.064 0.328 586 HB3 LEU 87 2HB LEU 87 -9.411 20.722 -1.597 587 HG LEU 87 HG LEU 87 -9.553 18.985 -3.341 588 HD11 LEU 87 1HD1 LEU 87 -8.393 18.571 -0.666 589 HD12 LEU 87 2HD1 LEU 87 -7.622 18.590 -2.252 590 HD13 LEU 87 3HD1 LEU 87 -8.472 17.146 -1.701 591 HD21 LEU 87 3HD2 LEU 87 -11.805 18.149 -2.175 592 HD22 LEU 87 1HD2 LEU 87 -10.671 17.026 -1.424 593 HD23 LEU 87 2HD2 LEU 87 -10.804 17.101 -3.181 594 H ARG 88 H ARG 88 -9.753 20.136 2.214 595 HA ARG 88 HA ARG 88 -10.009 23.071 2.129 596 HB3 ARG 88 2HB ARG 88 -10.252 22.865 4.664 597 HG3 ARG 88 2HG ARG 88 -12.467 21.628 3.044 598 HD3 ARG 88 2HD ARG 88 -13.871 22.803 4.772 599 HE ARG 88 HE ARG 88 -12.687 20.323 5.033 600 HH11 ARG 88 1HH1 ARG 88 -13.945 22.787 7.146 601 HH12 ARG 88 2HH1 ARG 88 -14.409 21.670 8.387 602 HH21 ARG 88 1HH2 ARG 88 -13.294 18.842 6.658 603 HH22 ARG 88 2HH2 ARG 88 -14.038 19.426 8.108 604 H GLU 89 H GLU 89 -8.469 20.779 4.376 605 HA GLU 89 HA GLU 89 -5.903 22.128 3.858 606 HB3 GLU 89 2HB GLU 89 -6.573 21.017 6.560 607 HG3 GLU 89 2HG GLU 89 -4.258 21.918 5.803 608 H ASP 90 H ASP 90 -4.086 20.856 3.787 609 HA ASP 90 HA ASP 90 -4.572 17.953 3.791 610 HB3 ASP 90 2HB ASP 90 -3.099 17.711 2.040 611 HA PRO 91 HA PRO 91 -1.771 17.314 7.106 612 HB3 PRO 91 2HB PRO 91 -2.292 15.081 6.968 613 HG3 PRO 91 2HG PRO 91 -2.635 14.054 4.910 614 HD3 PRO 91 2HD PRO 91 -4.010 15.888 4.672 615 H ASP 92 H ASP 92 -0.612 17.615 3.883 616 HA ASP 92 HA ASP 92 1.830 18.811 4.762 617 HB3 ASP 92 2HB ASP 92 3.070 17.039 3.143 618 H ARG 93 H ARG 93 2.593 20.212 3.267 619 HA ARG 93 HA ARG 93 1.038 21.012 1.126 620 HB3 ARG 93 2HB ARG 93 2.982 22.318 0.387 621 HG3 ARG 93 2HG ARG 93 3.674 23.282 2.685 622 HD3 ARG 93 2HD ARG 93 1.392 24.306 2.960 623 HE ARG 93 HE ARG 93 3.063 24.581 0.706 624 HH11 ARG 93 1HH1 ARG 93 -0.144 25.353 1.815 625 HH12 ARG 93 2HH1 ARG 93 -0.298 26.753 0.806 626 HH21 ARG 93 1HH2 ARG 93 2.874 26.422 -0.627 627 HH22 ARG 93 2HH2 ARG 93 1.419 27.360 -0.584 628 H GLN 94 H GLN 94 1.791 21.103 -1.208 629 HA GLN 94 HA GLN 94 2.218 18.383 -2.104 630 HB3 GLN 94 2HB GLN 94 0.493 19.741 -3.176 631 HG3 GLN 94 2HG GLN 94 2.778 21.520 -3.974 632 HE21 GLN 94 1HE2 GLN 94 2.611 21.137 -6.200 633 HE22 GLN 94 2HE2 GLN 94 1.271 21.725 -7.120 634 H ASP 95 H ASP 95 3.542 18.542 -4.419 635 HA ASP 95 HA ASP 95 6.240 18.590 -3.658 636 HB3 ASP 95 2HB ASP 95 6.728 18.343 -6.066 637 H HIS 96 H HIS 96 7.745 19.886 -5.443 638 HA HIS 96 HA HIS 96 7.058 22.725 -5.048 639 HB3 HIS 96 2HB HIS 96 8.899 22.491 -3.673 640 HD1 HIS 96 1HD HIS 96 9.939 20.547 -2.569 641 HD2 HIS 96 2HD HIS 96 10.492 20.453 -6.686 642 HE1 HIS 96 1HE HIS 96 11.353 18.515 -3.011 643 H HIS 97 H HIS 97 8.504 20.332 -7.180 644 HA HIS 97 HA HIS 97 7.648 21.562 -9.533 645 HB3 HIS 97 2HB HIS 97 9.176 23.330 -9.277 646 HD1 HIS 97 1HD HIS 97 10.278 23.733 -7.021 647 HD2 HIS 97 2HD HIS 97 12.198 20.832 -9.292 648 HE1 HIS 97 1HE HIS 97 12.452 23.285 -5.839 649 HA PRO 98 HA PRO 98 8.775 17.642 -11.150 650 HB3 PRO 98 2HB PRO 98 7.581 18.197 -13.034 651 HG3 PRO 98 2HG PRO 98 7.609 20.364 -13.876 652 HD3 PRO 98 2HD PRO 98 7.129 20.804 -11.664 653 H GLY 99 H GLY 99 10.466 16.781 -12.985 654 HA2 GLY 99 2HA GLY 99 13.053 18.064 -12.772 655 HA3 GLY 99 3HA GLY 99 12.914 16.553 -11.884 656 H SER 100 H SER 100 12.873 18.033 -15.063 657 HA SER 100 HA SER 100 13.665 15.456 -16.206 658 HB3 SER 100 2HB SER 100 12.190 16.020 -18.220 659 HG SER 100 HG SER 100 10.632 14.823 -17.359 660 H GLY 101 H GLY 101 14.080 16.002 -18.751 661 HA2 GLY 101 2HA GLY 101 15.950 18.287 -18.689 662 HA3 GLY 101 3HA GLY 101 16.208 16.821 -19.622 663 H ALA 102 H ALA 102 16.116 17.317 -21.707 664 HA ALA 102 HA ALA 102 13.704 18.363 -22.840 665 HB1 ALA 102 1HB ALA 102 14.747 20.456 -22.121 666 HB2 ALA 102 2HB ALA 102 16.191 20.057 -23.052 667 HB3 ALA 102 3HB ALA 102 14.662 20.348 -23.880 668 H GLN 103 H GLN 103 13.762 18.383 -25.204 669 HA GLN 103 HA GLN 103 14.174 17.336 -27.182 670 HB3 GLN 103 2HB GLN 103 17.088 17.200 -26.523 671 HG3 GLN 103 2HG GLN 103 16.061 16.646 -28.805 672 HE21 GLN 103 1HE2 GLN 103 15.959 17.745 -30.963 673 HE22 GLN 103 2HE2 GLN 103 15.035 19.202 -31.060 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -17.543 26.668 2.906 2 HA2 GLY 1 2HA GLY 1 -15.985 26.160 1.171 3 HA3 GLY 1 3HA GLY 1 -15.013 26.291 2.630 4 H SER 2 H SER 2 -15.911 24.309 0.058 5 HA SER 2 HA SER 2 -15.182 21.828 1.403 6 HB3 SER 2 2HB SER 2 -15.826 22.111 -1.527 7 HG SER 2 HG SER 2 -15.521 20.043 -1.271 8 H LEU 3 H LEU 3 -13.287 20.786 1.158 9 HA LEU 3 HA LEU 3 -11.010 22.140 0.270 10 HB3 LEU 3 2HB LEU 3 -11.154 20.191 1.877 11 HG LEU 3 HG LEU 3 -10.903 17.960 1.145 12 HD11 LEU 3 1HD1 LEU 3 -13.220 18.810 1.215 13 HD12 LEU 3 2HD1 LEU 3 -13.005 17.493 0.062 14 HD13 LEU 3 3HD1 LEU 3 -13.119 19.157 -0.512 15 HD21 LEU 3 3HD2 LEU 3 -9.738 18.984 -1.081 16 HD22 LEU 3 1HD2 LEU 3 -11.285 18.432 -1.727 17 HD23 LEU 3 2HD2 LEU 3 -10.223 17.298 -0.891 18 H VAL 4 H VAL 4 -9.534 21.527 -1.468 19 HA VAL 4 HA VAL 4 -10.954 20.520 -3.848 20 HB VAL 4 HB VAL 4 -10.638 22.921 -4.064 21 HG11 VAL 4 1HG1 VAL 4 -7.736 22.906 -4.269 22 HG12 VAL 4 2HG1 VAL 4 -8.806 24.026 -3.424 23 HG13 VAL 4 3HG1 VAL 4 -8.311 22.521 -2.646 24 HG21 VAL 4 3HG2 VAL 4 -10.499 21.657 -6.099 25 HG22 VAL 4 1HG2 VAL 4 -9.288 22.938 -6.157 26 HG23 VAL 4 2HG2 VAL 4 -8.801 21.281 -5.804 27 HA PRO 5 HA PRO 5 -7.692 17.536 -3.999 28 HB3 PRO 5 2HB PRO 5 -9.195 16.190 -5.097 29 HG3 PRO 5 2HG PRO 5 -10.811 17.096 -6.503 30 HD3 PRO 5 2HD PRO 5 -11.127 18.411 -4.636 31 H ARG 6 H ARG 6 -5.675 18.324 -4.153 32 HA ARG 6 HA ARG 6 -4.766 19.249 -6.786 33 HB3 ARG 6 2HB ARG 6 -3.393 20.994 -5.695 34 HG3 ARG 6 2HG ARG 6 -6.259 21.359 -4.871 35 HD3 ARG 6 2HD ARG 6 -4.794 23.136 -4.154 36 HE ARG 6 HE ARG 6 -2.936 23.390 -5.477 37 HH11 ARG 6 1HH1 ARG 6 -5.798 23.575 -7.449 38 HH12 ARG 6 2HH1 ARG 6 -4.948 24.095 -8.865 39 HH21 ARG 6 1HH2 ARG 6 -1.803 24.075 -7.335 40 HH22 ARG 6 2HH2 ARG 6 -2.675 24.379 -8.799 41 H GLY 7 H GLY 7 -2.449 19.059 -7.111 42 HA2 GLY 7 2HA GLY 7 -0.532 18.069 -5.467 43 HA3 GLY 7 3HA GLY 7 -1.436 16.633 -5.925 44 H SER 8 H SER 8 0.911 16.252 -6.698 45 HA SER 8 HA SER 8 1.201 17.291 -9.439 46 HB3 SER 8 2HB SER 8 3.610 16.677 -9.215 47 HG SER 8 HG SER 8 2.992 18.795 -8.694 48 H MET 9 H MET 9 0.983 14.444 -7.452 49 HA MET 9 HA MET 9 1.239 12.755 -9.850 50 HB3 MET 9 2HB MET 9 2.184 11.095 -8.596 51 HG3 MET 9 2HG MET 9 3.644 11.910 -6.840 52 HE1 MET 9 3HE MET 9 3.633 11.338 -9.934 53 HE2 MET 9 1HE MET 9 5.111 12.114 -10.505 54 HE3 MET 9 2HE MET 9 5.128 11.179 -9.010 55 H GLN 10 H GLN 10 -0.451 11.560 -10.508 56 HA GLN 10 HA GLN 10 -2.786 11.364 -8.728 57 HB3 GLN 10 2HB GLN 10 -4.279 11.799 -10.568 58 HG3 GLN 10 2HG GLN 10 -2.445 13.752 -9.662 59 HE21 GLN 10 1HE2 GLN 10 -4.396 14.361 -12.505 60 HE22 GLN 10 2HE2 GLN 10 -3.136 15.062 -13.455 61 H ILE 11 H ILE 11 -4.013 9.489 -8.883 62 HA ILE 11 HA ILE 11 -3.229 7.446 -10.803 63 HB ILE 11 HB ILE 11 -1.976 7.391 -8.394 64 HG13 ILE 11 2HG1 ILE 11 -1.252 6.002 -10.167 65 HG21 ILE 11 1HG2 ILE 11 -4.172 5.379 -8.056 66 HG22 ILE 11 2HG2 ILE 11 -2.994 5.943 -6.873 67 HG23 ILE 11 3HG2 ILE 11 -4.303 7.005 -7.388 68 HD11 ILE 11 3HD1 ILE 11 -0.605 4.159 -9.079 69 HD12 ILE 11 1HD1 ILE 11 -1.375 4.932 -7.693 70 HD13 ILE 11 2HD1 ILE 11 -2.252 3.719 -8.627 71 H PHE 12 H PHE 12 -4.603 5.393 -10.381 72 HA PHE 12 HA PHE 12 -7.356 6.295 -9.899 73 HB3 PHE 12 2HB PHE 12 -7.151 3.673 -11.104 74 HD1 PHE 12 2HD PHE 12 -7.606 7.238 -12.121 75 HD2 PHE 12 1HD PHE 12 -9.236 3.310 -11.966 76 HE1 PHE 12 2HE PHE 12 -9.664 8.052 -13.198 77 HE2 PHE 12 1HE PHE 12 -11.295 4.117 -13.044 78 HZ PHE 12 HZ PHE 12 -11.510 6.491 -13.662 79 H VAL 13 H VAL 13 -8.351 5.654 -8.114 80 HA VAL 13 HA VAL 13 -7.589 3.084 -6.903 81 HB VAL 13 HB VAL 13 -8.069 5.646 -5.374 82 HG11 VAL 13 1HG1 VAL 13 -6.997 3.824 -3.631 83 HG12 VAL 13 2HG1 VAL 13 -8.707 4.242 -3.751 84 HG13 VAL 13 3HG1 VAL 13 -8.082 2.830 -4.602 85 HG21 VAL 13 3HG2 VAL 13 -5.879 6.021 -5.452 86 HG22 VAL 13 1HG2 VAL 13 -5.538 4.387 -4.884 87 HG23 VAL 13 2HG2 VAL 13 -5.733 4.698 -6.610 88 H LYS 14 H LYS 14 -9.263 1.814 -6.420 89 HA LYS 14 HA LYS 14 -11.945 3.033 -6.320 90 HB3 LYS 14 2HB LYS 14 -12.645 0.631 -7.086 91 HG3 LYS 14 2HG LYS 14 -12.001 1.261 -9.531 92 HD3 LYS 14 2HD LYS 14 -13.816 2.845 -7.727 93 HE3 LYS 14 2HE LYS 14 -13.089 4.114 -9.807 94 HZ1 LYS 14 3HZ LYS 14 -13.731 3.403 -11.874 95 HZ2 LYS 14 1HZ LYS 14 -14.922 2.358 -11.286 96 HZ3 LYS 14 2HZ LYS 14 -13.291 1.929 -11.171 97 H THR 15 H THR 15 -12.806 2.923 -4.363 98 HA THR 15 HA THR 15 -11.762 1.219 -2.321 99 HB THR 15 HB THR 15 -13.395 2.195 -0.855 100 HG1 THR 15 1HG THR 15 -14.655 2.997 -3.271 101 HG21 THR 15 3HG2 THR 15 -11.581 3.699 -2.366 102 HG22 THR 15 1HG2 THR 15 -12.290 4.134 -0.812 103 HG23 THR 15 2HG2 THR 15 -13.057 4.664 -2.308 104 H LEU 16 H LEU 16 -13.627 0.127 -0.883 105 HA LEU 16 HA LEU 16 -14.559 -2.074 -2.468 106 HB3 LEU 16 2HB LEU 16 -13.799 -2.661 -0.339 107 HG LEU 16 HG LEU 16 -14.919 -0.196 0.600 108 HD11 LEU 16 1HD1 LEU 16 -15.675 -1.236 2.831 109 HD12 LEU 16 2HD1 LEU 16 -15.933 -2.702 1.887 110 HD13 LEU 16 3HD1 LEU 16 -16.806 -1.226 1.478 111 HD21 LEU 16 3HD2 LEU 16 -13.480 -1.939 2.472 112 HD22 LEU 16 1HD2 LEU 16 -13.131 -0.289 1.956 113 HD23 LEU 16 2HD2 LEU 16 -12.650 -1.649 0.942 114 H THR 17 H THR 17 -15.936 0.838 -1.181 115 HA THR 17 HA THR 17 -18.670 -0.041 -1.606 116 HB THR 17 HB THR 17 -17.999 1.496 0.285 117 HG1 THR 17 1HG THR 17 -19.977 2.381 0.213 118 HG21 THR 17 3HG2 THR 17 -17.761 3.872 -0.215 119 HG22 THR 17 1HG2 THR 17 -17.859 3.533 -1.941 120 HG23 THR 17 2HG2 THR 17 -16.486 2.944 -1.005 121 H GLY 18 H GLY 18 -16.227 1.855 -3.224 122 HA2 GLY 18 2HA GLY 18 -16.627 1.819 -5.724 123 HA3 GLY 18 3HA GLY 18 -18.185 2.530 -5.330 124 H LYS 19 H LYS 19 -16.358 3.885 -3.095 125 HA LYS 19 HA LYS 19 -16.256 6.409 -4.342 126 HB3 LYS 19 2HB LYS 19 -14.475 6.589 -2.241 127 HG3 LYS 19 2HG LYS 19 -16.377 8.058 -2.486 128 HD3 LYS 19 2HD LYS 19 -17.898 5.538 -2.041 129 HE3 LYS 19 2HE LYS 19 -19.204 8.172 -1.498 130 HZ1 LYS 19 3HZ LYS 19 -20.032 5.514 -1.605 131 HZ2 LYS 19 1HZ LYS 19 -20.950 6.872 -1.189 132 HZ3 LYS 19 2HZ LYS 19 -20.143 5.998 0.012 133 H THR 20 H THR 20 -14.499 7.655 -5.041 134 HA THR 20 HA THR 20 -12.079 6.109 -5.714 135 HB THR 20 HB THR 20 -13.062 8.434 -7.353 136 HG1 THR 20 1HG THR 20 -14.725 6.955 -7.490 137 HG21 THR 20 3HG2 THR 20 -11.471 6.069 -8.286 138 HG22 THR 20 1HG2 THR 20 -10.685 7.425 -7.479 139 HG23 THR 20 2HG2 THR 20 -11.570 7.686 -8.983 140 H ILE 21 H ILE 21 -10.156 6.953 -5.160 141 HA ILE 21 HA ILE 21 -10.044 9.770 -4.329 142 HB ILE 21 HB ILE 21 -8.375 8.929 -2.532 143 HG13 ILE 21 2HG1 ILE 21 -8.498 6.732 -1.811 144 HG21 ILE 21 1HG2 ILE 21 -11.352 8.888 -2.453 145 HG22 ILE 21 2HG2 ILE 21 -10.451 8.370 -1.029 146 HG23 ILE 21 3HG2 ILE 21 -10.218 9.994 -1.678 147 HD11 ILE 21 3HD1 ILE 21 -10.383 5.218 -2.884 148 HD12 ILE 21 1HD1 ILE 21 -10.633 6.114 -1.386 149 HD13 ILE 21 2HD1 ILE 21 -11.243 6.757 -2.912 150 H THR 22 H THR 22 -8.239 10.853 -4.921 151 HA THR 22 HA THR 22 -6.482 9.596 -6.816 152 HB THR 22 HB THR 22 -5.708 12.261 -5.845 153 HG1 THR 22 1HG THR 22 -7.855 12.669 -5.623 154 HG21 THR 22 3HG2 THR 22 -4.709 11.764 -7.845 155 HG22 THR 22 1HG2 THR 22 -6.150 12.589 -8.437 156 HG23 THR 22 2HG2 THR 22 -6.085 10.826 -8.426 157 H LEU 23 H LEU 23 -4.672 8.551 -6.343 158 HA LEU 23 HA LEU 23 -3.361 9.095 -3.766 159 HB3 LEU 23 2HB LEU 23 -2.274 6.757 -4.763 160 HG LEU 23 HG LEU 23 -3.667 5.516 -3.150 161 HD11 LEU 23 1HD1 LEU 23 -2.350 8.069 -2.277 162 HD12 LEU 23 2HD1 LEU 23 -1.699 6.431 -2.254 163 HD13 LEU 23 3HD1 LEU 23 -2.976 6.887 -1.127 164 HD21 LEU 23 3HD2 LEU 23 -4.977 8.170 -2.585 165 HD22 LEU 23 1HD2 LEU 23 -5.318 6.620 -1.816 166 HD23 LEU 23 2HD2 LEU 23 -5.728 6.871 -3.513 167 H GLU 24 H GLU 24 -1.116 9.329 -3.667 168 HA GLU 24 HA GLU 24 0.075 10.330 -6.128 169 HB3 GLU 24 2HB GLU 24 0.694 10.578 -3.217 170 HG3 GLU 24 2HG GLU 24 2.683 10.937 -5.429 171 H VAL 25 H VAL 25 2.061 9.614 -6.956 172 HA VAL 25 HA VAL 25 3.187 7.151 -5.857 173 HB VAL 25 HB VAL 25 2.590 7.302 -8.801 174 HG11 VAL 25 1HG1 VAL 25 3.860 5.424 -6.992 175 HG12 VAL 25 2HG1 VAL 25 2.570 4.673 -7.935 176 HG13 VAL 25 3HG1 VAL 25 3.897 5.498 -8.753 177 HG21 VAL 25 3HG2 VAL 25 0.632 5.857 -8.381 178 HG22 VAL 25 1HG2 VAL 25 0.844 6.111 -6.649 179 HG23 VAL 25 2HG2 VAL 25 0.443 7.472 -7.697 180 H GLU 26 H GLU 26 5.312 6.665 -6.643 181 HA GLU 26 HA GLU 26 6.731 8.185 -8.508 182 HB3 GLU 26 2HB GLU 26 8.078 9.152 -6.232 183 HG3 GLU 26 2HG GLU 26 6.403 11.167 -7.409 184 HA PRO 27 HA PRO 27 9.599 4.936 -7.812 185 HB3 PRO 27 2HB PRO 27 10.559 5.525 -9.814 186 HG3 PRO 27 2HG PRO 27 10.717 7.754 -10.458 187 HD3 PRO 27 2HD PRO 27 8.487 7.664 -9.882 188 H SER 28 H SER 28 10.336 8.126 -6.547 189 HA SER 28 HA SER 28 12.144 6.914 -4.566 190 HB3 SER 28 2HB SER 28 12.979 8.814 -6.051 191 HG SER 28 HG SER 28 12.297 10.897 -4.888 192 H ASP 29 H ASP 29 9.031 8.037 -4.954 193 HA ASP 29 HA ASP 29 8.785 8.864 -2.147 194 HB3 ASP 29 2HB ASP 29 6.449 9.080 -3.956 195 H THR 30 H THR 30 8.358 7.214 -0.838 196 HA THR 30 HA THR 30 6.911 4.887 -1.775 197 HB THR 30 HB THR 30 8.839 4.597 -0.276 198 HG1 THR 30 1HG THR 30 6.635 3.803 1.276 199 HG21 THR 30 3HG2 THR 30 8.893 6.405 1.174 200 HG22 THR 30 1HG2 THR 30 8.290 5.119 2.217 201 HG23 THR 30 2HG2 THR 30 7.171 6.299 1.535 202 H ILE 31 H ILE 31 5.219 3.963 -0.199 203 HA ILE 31 HA ILE 31 2.948 5.545 -0.246 204 HB ILE 31 HB ILE 31 3.635 3.133 1.415 205 HG13 ILE 31 2HG1 ILE 31 2.034 3.678 -1.070 206 HG21 ILE 31 1HG2 ILE 31 1.169 4.824 1.481 207 HG22 ILE 31 2HG2 ILE 31 1.076 3.091 1.791 208 HG23 ILE 31 3HG2 ILE 31 2.076 4.118 2.818 209 HD11 ILE 31 3HD1 ILE 31 4.090 2.945 -1.756 210 HD12 ILE 31 1HD1 ILE 31 4.315 1.912 -0.346 211 HD13 ILE 31 2HD1 ILE 31 3.210 1.422 -1.630 212 H GLU 32 H GLU 32 5.507 5.444 2.083 213 HA GLU 32 HA GLU 32 4.314 6.387 4.381 214 HB3 GLU 32 2HB GLU 32 6.984 7.364 3.371 215 HG3 GLU 32 2HG GLU 32 6.179 6.626 6.169 216 H ASN 33 H ASN 33 5.723 8.365 1.768 217 HA ASN 33 HA ASN 33 4.662 10.796 2.873 218 HB3 ASN 33 2HB ASN 33 5.478 11.733 0.620 219 HD21 ASN 33 1HD2 ASN 33 6.176 12.791 2.638 220 HD22 ASN 33 2HD2 ASN 33 7.797 12.529 3.174 221 H VAL 34 H VAL 34 3.802 8.583 0.276 222 HA VAL 34 HA VAL 34 1.908 10.074 -1.080 223 HB VAL 34 HB VAL 34 1.835 7.112 -0.490 224 HG11 VAL 34 1HG1 VAL 34 -0.344 7.930 -1.210 225 HG12 VAL 34 2HG1 VAL 34 0.398 8.702 -2.613 226 HG13 VAL 34 3HG1 VAL 34 0.403 6.944 -2.467 227 HG21 VAL 34 3HG2 VAL 34 2.694 8.256 -3.098 228 HG22 VAL 34 1HG2 VAL 34 3.824 8.310 -1.744 229 HG23 VAL 34 2HG2 VAL 34 3.188 6.762 -2.302 230 H LYS 35 H LYS 35 1.642 8.385 1.983 231 HA LYS 35 HA LYS 35 -1.102 8.301 2.322 232 HB3 LYS 35 2HB LYS 35 -0.552 8.559 4.804 233 HG3 LYS 35 2HG LYS 35 0.353 6.448 2.996 234 HD3 LYS 35 2HD LYS 35 2.411 6.855 4.348 235 HE3 LYS 35 2HE LYS 35 1.129 5.694 6.738 236 HZ1 LYS 35 3HZ LYS 35 3.392 6.162 6.934 237 HZ2 LYS 35 1HZ LYS 35 2.644 7.446 7.744 238 HZ3 LYS 35 2HZ LYS 35 3.256 7.672 6.184 239 H ALA 36 H ALA 36 1.056 11.023 2.452 240 HA ALA 36 HA ALA 36 -0.668 12.810 3.829 241 HB1 ALA 36 1HB ALA 36 1.573 13.440 1.912 242 HB2 ALA 36 2HB ALA 36 0.831 14.561 3.055 243 HB3 ALA 36 3HB ALA 36 1.750 13.177 3.648 244 H LYS 37 H LYS 37 -0.335 11.850 0.486 245 HA LYS 37 HA LYS 37 -1.910 13.985 -0.586 246 HB3 LYS 37 2HB LYS 37 -2.004 11.814 -2.369 247 HG3 LYS 37 2HG LYS 37 -1.330 14.364 -2.608 248 HD3 LYS 37 2HD LYS 37 1.222 13.987 -3.421 249 HE3 LYS 37 2HE LYS 37 0.874 14.693 -0.558 250 HZ1 LYS 37 3HZ LYS 37 2.922 15.121 -1.920 251 HZ2 LYS 37 1HZ LYS 37 2.286 16.473 -1.124 252 HZ3 LYS 37 2HZ LYS 37 2.030 16.270 -2.783 253 H ILE 38 H ILE 38 -2.536 10.526 -0.003 254 HA ILE 38 HA ILE 38 -5.271 10.642 -0.730 255 HB ILE 38 HB ILE 38 -4.162 8.517 -0.763 256 HG13 ILE 38 2HG1 ILE 38 -6.132 8.515 1.534 257 HG21 ILE 38 1HG2 ILE 38 -2.747 7.801 0.801 258 HG22 ILE 38 2HG2 ILE 38 -2.923 9.386 1.553 259 HG23 ILE 38 3HG2 ILE 38 -3.930 8.040 2.085 260 HD11 ILE 38 3HD1 ILE 38 -7.736 7.878 -0.379 261 HD12 ILE 38 1HD1 ILE 38 -7.362 9.579 -0.105 262 HD13 ILE 38 2HD1 ILE 38 -6.568 8.702 -1.413 263 H GLN 39 H GLN 39 -3.562 11.030 2.321 264 HA GLN 39 HA GLN 39 -5.629 10.858 4.134 265 HB3 GLN 39 2HB GLN 39 -3.213 12.661 4.101 266 HG3 GLN 39 2HG GLN 39 -5.314 12.350 6.192 267 HE21 GLN 39 1HE2 GLN 39 -3.458 14.563 7.378 268 HE22 GLN 39 2HE2 GLN 39 -2.421 13.656 8.421 269 H ASP 40 H ASP 40 -4.756 13.552 2.040 270 HA ASP 40 HA ASP 40 -6.706 15.333 3.174 271 HB3 ASP 40 2HB ASP 40 -5.363 15.651 0.493 272 H LYS 41 H LYS 41 -6.627 12.977 0.633 273 HA LYS 41 HA LYS 41 -8.930 13.916 -0.773 274 HB3 LYS 41 2HB LYS 41 -8.788 11.281 -1.431 275 HG3 LYS 41 2HG LYS 41 -8.238 13.589 -2.728 276 HD3 LYS 41 2HD LYS 41 -5.903 12.708 -3.773 277 HE3 LYS 41 2HE LYS 41 -4.807 14.503 -2.461 278 HZ1 LYS 41 3HZ LYS 41 -5.750 15.936 -3.840 279 HZ2 LYS 41 1HZ LYS 41 -7.213 15.895 -2.993 280 HZ3 LYS 41 2HZ LYS 41 -6.917 14.774 -4.222 281 H GLU 42 H GLU 42 -8.400 11.158 1.427 282 HA GLU 42 HA GLU 42 -11.264 11.282 2.104 283 HB3 GLU 42 2HB GLU 42 -10.678 9.299 0.702 284 HG3 GLU 42 2HG GLU 42 -9.237 8.261 3.121 285 H GLY 43 H GLY 43 -7.984 10.616 3.187 286 HA2 GLY 43 2HA GLY 43 -7.081 11.060 5.285 287 HA3 GLY 43 3HA GLY 43 -8.693 11.445 5.868 288 H ILE 44 H ILE 44 -7.686 8.463 4.270 289 HA ILE 44 HA ILE 44 -8.769 6.921 6.464 290 HB ILE 44 HB ILE 44 -7.826 6.312 3.712 291 HG13 ILE 44 2HG1 ILE 44 -9.929 5.140 3.579 292 HG21 ILE 44 1HG2 ILE 44 -7.781 4.345 5.984 293 HG22 ILE 44 2HG2 ILE 44 -7.949 3.847 4.301 294 HG23 ILE 44 3HG2 ILE 44 -6.503 4.712 4.826 295 HD11 ILE 44 3HD1 ILE 44 -11.472 4.946 5.430 296 HD12 ILE 44 1HD1 ILE 44 -9.970 4.094 5.787 297 HD13 ILE 44 2HD1 ILE 44 -10.286 5.668 6.519 298 HA PRO 45 HA PRO 45 -4.937 6.368 8.586 299 HB3 PRO 45 2HB PRO 45 -6.214 5.861 10.426 300 HG3 PRO 45 2HG PRO 45 -8.252 4.762 10.206 301 HD3 PRO 45 2HD PRO 45 -8.538 6.441 8.653 302 HA PRO 46 HA PRO 46 -3.211 3.278 5.787 303 HB3 PRO 46 2HB PRO 46 -1.722 4.893 5.110 304 HG3 PRO 46 2HG PRO 46 -1.100 6.624 6.533 305 HD3 PRO 46 2HD PRO 46 -3.393 6.748 6.736 306 H ASP 47 H ASP 47 -2.677 3.809 9.161 307 HA ASP 47 HA ASP 47 -0.817 1.818 9.756 308 HB3 ASP 47 2HB ASP 47 -1.319 3.302 11.504 309 H GLN 48 H GLN 48 -4.314 1.633 9.329 310 HA GLN 48 HA GLN 48 -4.159 -1.287 9.651 311 HB3 GLN 48 2HB GLN 48 -6.678 0.369 9.639 312 HG3 GLN 48 2HG GLN 48 -6.682 -2.204 9.404 313 HE21 GLN 48 1HE2 GLN 48 -5.308 -3.700 10.114 314 HE22 GLN 48 2HE2 GLN 48 -5.023 -4.085 11.774 315 H GLN 49 H GLN 49 -4.629 1.228 7.394 316 HA GLN 49 HA GLN 49 -6.314 0.118 5.502 317 HB3 GLN 49 2HB GLN 49 -3.824 1.669 4.806 318 HG3 GLN 49 2HG GLN 49 -6.582 1.734 3.606 319 HE21 GLN 49 1HE2 GLN 49 -3.306 2.226 2.398 320 HE22 GLN 49 2HE2 GLN 49 -3.561 3.840 1.838 321 H ARG 50 H ARG 50 -5.864 -0.968 3.491 322 HA ARG 50 HA ARG 50 -3.647 -2.884 3.754 323 HB3 ARG 50 2HB ARG 50 -5.816 -3.953 3.750 324 HG3 ARG 50 2HG ARG 50 -6.311 -2.763 1.031 325 HD3 ARG 50 2HD ARG 50 -8.456 -3.776 1.176 326 HE ARG 50 HE ARG 50 -6.250 -5.405 1.137 327 HH11 ARG 50 1HH1 ARG 50 -9.552 -5.691 2.202 328 HH12 ARG 50 2HH1 ARG 50 -9.640 -7.394 1.897 329 HH21 ARG 50 1HH2 ARG 50 -6.353 -7.647 0.730 330 HH22 ARG 50 2HH2 ARG 50 -7.820 -8.506 1.059 331 H LEU 51 H LEU 51 -2.984 -3.790 1.504 332 HA LEU 51 HA LEU 51 -2.716 -1.556 -0.394 333 HB3 LEU 51 2HB LEU 51 -0.433 -2.813 -0.865 334 HG LEU 51 HG LEU 51 -0.384 -0.490 -0.231 335 HD11 LEU 51 1HD1 LEU 51 -1.757 -0.054 1.516 336 HD12 LEU 51 2HD1 LEU 51 -0.248 -0.197 2.418 337 HD13 LEU 51 3HD1 LEU 51 -1.365 -1.559 2.347 338 HD21 LEU 51 3HD2 LEU 51 1.725 -1.668 -0.125 339 HD22 LEU 51 1HD2 LEU 51 1.384 -2.191 1.524 340 HD23 LEU 51 2HD2 LEU 51 1.642 -0.482 1.177 341 H ILE 52 H ILE 52 -3.209 -2.017 -2.445 342 HA ILE 52 HA ILE 52 -3.275 -4.836 -3.281 343 HB ILE 52 HB ILE 52 -5.454 -2.791 -3.562 344 HG13 ILE 52 2HG1 ILE 52 -5.282 -5.655 -2.626 345 HG21 ILE 52 1HG2 ILE 52 -5.482 -3.392 -5.755 346 HG22 ILE 52 2HG2 ILE 52 -4.715 -4.950 -5.453 347 HG23 ILE 52 3HG2 ILE 52 -6.428 -4.727 -5.098 348 HD11 ILE 52 3HD1 ILE 52 -5.600 -3.062 -1.307 349 HD12 ILE 52 1HD1 ILE 52 -6.735 -4.307 -0.786 350 HD13 ILE 52 2HD1 ILE 52 -4.998 -4.597 -0.679 351 H PHE 53 H PHE 53 -1.991 -5.124 -4.967 352 HA PHE 53 HA PHE 53 -1.794 -2.984 -6.977 353 HB3 PHE 53 2HB PHE 53 0.427 -4.561 -5.695 354 HD1 PHE 53 2HD PHE 53 -0.356 -2.474 -8.672 355 HD2 PHE 53 1HD PHE 53 2.411 -5.084 -6.763 356 HE1 PHE 53 2HE PHE 53 1.017 -2.506 -10.713 357 HE2 PHE 53 1HE PHE 53 3.788 -5.120 -8.802 358 HZ PHE 53 HZ PHE 53 3.091 -3.831 -10.780 359 H ALA 54 H ALA 54 -2.694 -3.734 -8.774 360 HA ALA 54 HA ALA 54 -3.323 -5.113 -10.474 361 HB1 ALA 54 1HB ALA 54 -0.704 -6.499 -9.922 362 HB2 ALA 54 2HB ALA 54 -1.609 -6.493 -11.436 363 HB3 ALA 54 3HB ALA 54 -0.868 -5.006 -10.846 364 H GLY 55 H GLY 55 -4.190 -5.827 -7.800 365 HA2 GLY 55 2HA GLY 55 -5.669 -7.551 -7.184 366 HA3 GLY 55 3HA GLY 55 -4.894 -8.605 -8.357 367 H LYS 56 H LYS 56 -2.227 -7.664 -7.199 368 HA LYS 56 HA LYS 56 -2.178 -9.645 -5.042 369 HB3 LYS 56 2HB LYS 56 0.275 -8.376 -6.206 370 HG3 LYS 56 2HG LYS 56 -0.027 -10.325 -4.335 371 HD3 LYS 56 2HD LYS 56 0.996 -12.294 -5.810 372 HE3 LYS 56 2HE LYS 56 -1.309 -13.272 -5.925 373 HZ1 LYS 56 3HZ LYS 56 -1.548 -13.459 -3.615 374 HZ2 LYS 56 1HZ LYS 56 -0.852 -11.946 -3.318 375 HZ3 LYS 56 2HZ LYS 56 0.111 -13.229 -3.855 376 H GLN 57 H GLN 57 -2.025 -9.046 -2.986 377 HA GLN 57 HA GLN 57 -1.724 -6.259 -2.312 378 HB3 GLN 57 2HB GLN 57 -3.287 -7.993 -1.200 379 HG3 GLN 57 2HG GLN 57 -2.424 -9.065 0.785 380 HE21 GLN 57 1HE2 GLN 57 -3.416 -10.204 -1.262 381 HE22 GLN 57 2HE2 GLN 57 -2.404 -11.424 -1.948 382 H LEU 58 H LEU 58 -0.180 -5.460 -0.757 383 HA LEU 58 HA LEU 58 2.201 -7.061 -0.292 384 HB3 LEU 58 2HB LEU 58 2.588 -6.033 -2.481 385 HG LEU 58 HG LEU 58 2.110 -3.437 -1.056 386 HD11 LEU 58 1HD1 LEU 58 3.522 -2.255 -2.389 387 HD12 LEU 58 2HD1 LEU 58 3.457 -3.435 -3.697 388 HD13 LEU 58 3HD1 LEU 58 4.445 -3.754 -2.271 389 HD21 LEU 58 3HD2 LEU 58 1.220 -4.692 -3.637 390 HD22 LEU 58 1HD2 LEU 58 1.041 -2.967 -3.315 391 HD23 LEU 58 2HD2 LEU 58 0.233 -4.146 -2.281 392 H GLU 59 H GLU 59 3.912 -5.197 0.656 393 HA GLU 59 HA GLU 59 2.404 -3.975 2.871 394 HB3 GLU 59 2HB GLU 59 4.495 -4.214 4.196 395 HG3 GLU 59 2HG GLU 59 3.824 -6.904 3.064 396 H ASP 60 H ASP 60 4.144 -2.309 3.982 397 HA ASP 60 HA ASP 60 5.041 -0.519 1.823 398 HB3 ASP 60 2HB ASP 60 3.325 0.083 4.205 399 H GLY 61 H GLY 61 6.895 0.688 2.212 400 HA2 GLY 61 2HA GLY 61 8.221 1.146 4.567 401 HA3 GLY 61 3HA GLY 61 8.729 -0.466 4.086 402 H ARG 62 H ARG 62 8.782 -0.103 1.300 403 HA ARG 62 HA ARG 62 10.943 1.882 1.018 404 HB3 ARG 62 2HB ARG 62 11.527 0.103 -0.931 405 HG3 ARG 62 2HG ARG 62 13.155 -0.954 0.613 406 HD3 ARG 62 2HD ARG 62 12.825 1.982 0.322 407 HE ARG 62 HE ARG 62 14.374 0.908 2.459 408 HH11 ARG 62 1HH1 ARG 62 14.345 3.353 -0.019 409 HH12 ARG 62 2HH1 ARG 62 15.402 4.422 0.840 410 HH21 ARG 62 1HH2 ARG 62 15.769 2.306 3.600 411 HH22 ARG 62 2HH2 ARG 62 16.213 3.825 2.898 412 H THR 63 H THR 63 11.328 2.471 -1.335 413 HA THR 63 HA THR 63 8.829 3.372 -2.442 414 HB THR 63 HB THR 63 10.191 4.536 -4.109 415 HG1 THR 63 1HG THR 63 12.351 4.182 -4.278 416 HG21 THR 63 3HG2 THR 63 10.049 5.913 -2.286 417 HG22 THR 63 1HG2 THR 63 11.796 5.687 -2.341 418 HG23 THR 63 2HG2 THR 63 10.822 4.750 -1.209 419 H LEU 64 H LEU 64 8.739 3.286 -4.988 420 HA LEU 64 HA LEU 64 8.288 0.569 -5.671 421 HB3 LEU 64 2HB LEU 64 7.429 1.354 -7.688 422 HG LEU 64 HG LEU 64 7.143 3.840 -6.006 423 HD11 LEU 64 1HD1 LEU 64 6.061 2.953 -8.539 424 HD12 LEU 64 2HD1 LEU 64 5.970 4.533 -7.762 425 HD13 LEU 64 3HD1 LEU 64 4.791 3.285 -7.361 426 HD21 LEU 64 3HD2 LEU 64 4.897 2.499 -5.506 427 HD22 LEU 64 1HD2 LEU 64 6.337 2.347 -4.499 428 HD23 LEU 64 2HD2 LEU 64 5.985 1.128 -5.724 429 H SER 65 H SER 65 10.774 2.922 -6.576 430 HA SER 65 HA SER 65 12.105 1.298 -8.456 431 HB3 SER 65 2HB SER 65 13.245 3.516 -6.737 432 HG SER 65 HG SER 65 14.334 3.414 -9.132 433 H GLU 66 H GLU 66 12.319 1.557 -4.969 434 HA GLU 66 HA GLU 66 14.710 0.002 -4.727 435 HB3 GLU 66 2HB GLU 66 14.033 -0.107 -2.297 436 HG3 GLU 66 2HG GLU 66 14.241 2.310 -1.842 437 H TYR 67 H TYR 67 11.253 -0.660 -4.554 438 HA TYR 67 HA TYR 67 11.715 -3.454 -3.907 439 HB3 TYR 67 2HB TYR 67 9.007 -3.096 -4.544 440 HD1 TYR 67 1HD TYR 67 9.551 -5.311 -3.354 441 HD2 TYR 67 2HD TYR 67 9.635 -1.528 -1.408 442 HE1 TYR 67 1HE TYR 67 9.350 -6.435 -1.176 443 HE2 TYR 67 2HE TYR 67 9.436 -2.642 0.776 444 HH TYR 67 HH TYR 67 8.349 -5.222 1.433 445 H ASN 68 H ASN 68 12.009 -1.741 -6.635 446 HA ASN 68 HA ASN 68 11.912 -2.175 -8.869 447 HB3 ASN 68 2HB ASN 68 12.462 -4.443 -9.545 448 HD21 ASN 68 1HD2 ASN 68 14.338 -3.124 -9.687 449 HD22 ASN 68 2HD2 ASN 68 15.592 -3.254 -8.504 450 H ILE 69 H ILE 69 9.392 -1.877 -7.502 451 HA ILE 69 HA ILE 69 7.661 -3.650 -9.091 452 HB ILE 69 HB ILE 69 5.841 -2.857 -7.515 453 HG13 ILE 69 2HG1 ILE 69 6.994 -0.876 -6.646 454 HG21 ILE 69 1HG2 ILE 69 6.170 -4.693 -6.241 455 HG22 ILE 69 2HG2 ILE 69 7.475 -4.982 -7.390 456 HG23 ILE 69 3HG2 ILE 69 7.824 -4.244 -5.827 457 HD11 ILE 69 3HD1 ILE 69 6.994 -2.426 -4.167 458 HD12 ILE 69 1HD1 ILE 69 6.103 -0.968 -4.601 459 HD13 ILE 69 2HD1 ILE 69 5.511 -2.548 -5.113 460 H GLN 70 H GLN 70 5.695 -2.691 -9.983 461 HA GLN 70 HA GLN 70 6.117 0.117 -10.763 462 HB3 GLN 70 2HB GLN 70 6.375 -1.221 -12.706 463 HG3 GLN 70 2HG GLN 70 3.733 -2.547 -12.165 464 HE21 GLN 70 1HE2 GLN 70 4.189 -4.882 -13.298 465 HE22 GLN 70 2HE2 GLN 70 4.560 -4.721 -14.978 466 H LYS 71 H LYS 71 4.918 0.597 -8.755 467 HA LYS 71 HA LYS 71 2.064 0.007 -8.822 468 HB3 LYS 71 2HB LYS 71 2.132 1.357 -6.631 469 HG3 LYS 71 2HG LYS 71 3.566 -1.252 -6.975 470 HD3 LYS 71 2HD LYS 71 4.345 0.167 -4.949 471 HE3 LYS 71 2HE LYS 71 2.794 -0.320 -2.979 472 HZ1 LYS 71 3HZ LYS 71 3.104 1.888 -4.345 473 HZ2 LYS 71 1HZ LYS 71 1.945 1.767 -3.117 474 HZ3 LYS 71 2HZ LYS 71 1.481 1.614 -4.736 475 H GLU 72 H GLU 72 3.683 1.981 -10.593 476 HA GLU 72 HA GLU 72 2.235 4.451 -10.011 477 HB3 GLU 72 2HB GLU 72 4.656 4.550 -10.541 478 HG3 GLU 72 2HG GLU 72 3.772 3.582 -13.247 479 H SER 73 H SER 73 0.909 2.011 -11.023 480 HA SER 73 HA SER 73 -0.153 3.111 -13.544 481 HB3 SER 73 2HB SER 73 0.218 0.233 -12.701 482 HG SER 73 HG SER 73 -0.768 0.575 -15.192 483 H THR 74 H THR 74 -1.305 0.508 -11.433 484 HA THR 74 HA THR 74 -3.677 2.118 -10.790 485 HB THR 74 HB THR 74 -4.228 -0.742 -11.209 486 HG1 THR 74 1HG THR 74 -3.741 -0.820 -13.272 487 HG21 THR 74 3HG2 THR 74 -5.958 0.858 -12.704 488 HG22 THR 74 1HG2 THR 74 -5.585 1.809 -11.267 489 HG23 THR 74 2HG2 THR 74 -6.256 0.186 -11.101 490 H LEU 75 H LEU 75 -3.609 2.321 -8.647 491 HA LEU 75 HA LEU 75 -3.176 -0.102 -7.037 492 HB3 LEU 75 2HB LEU 75 -2.320 1.956 -5.422 493 HG LEU 75 HG LEU 75 0.054 1.232 -6.026 494 HD11 LEU 75 1HD1 LEU 75 -0.363 0.036 -4.204 495 HD12 LEU 75 2HD1 LEU 75 -0.887 -1.276 -5.258 496 HD13 LEU 75 3HD1 LEU 75 -2.067 -0.127 -4.629 497 HD21 LEU 75 3HD2 LEU 75 0.431 -0.466 -7.515 498 HD22 LEU 75 1HD2 LEU 75 -0.897 0.371 -8.319 499 HD23 LEU 75 2HD2 LEU 75 -1.213 -1.094 -7.387 500 H HIS 76 H HIS 76 -4.429 -0.311 -5.205 501 HA HIS 76 HA HIS 76 -6.348 1.833 -4.627 502 HB3 HIS 76 2HB HIS 76 -6.938 -0.980 -5.426 503 HD1 HIS 76 1HD HIS 76 -8.819 -2.323 -4.455 504 HD2 HIS 76 2HD HIS 76 -8.524 1.462 -2.767 505 HE1 HIS 76 1HE HIS 76 -10.432 -2.319 -2.525 506 H LEU 77 H LEU 77 -5.887 2.410 -2.607 507 HA LEU 77 HA LEU 77 -5.613 0.288 -0.587 508 HB3 LEU 77 2HB LEU 77 -3.732 1.166 0.318 509 HG LEU 77 HG LEU 77 -3.315 0.937 -2.267 510 HD11 LEU 77 1HD1 LEU 77 -2.217 3.548 -2.423 511 HD12 LEU 77 2HD1 LEU 77 -3.929 3.694 -2.023 512 HD13 LEU 77 3HD1 LEU 77 -3.432 2.799 -3.459 513 HD21 LEU 77 3HD2 LEU 77 -1.731 1.147 -0.083 514 HD22 LEU 77 1HD2 LEU 77 -1.177 2.530 -1.027 515 HD23 LEU 77 2HD2 LEU 77 -1.131 0.911 -1.725 516 H VAL 78 H VAL 78 -7.715 0.505 0.128 517 HA VAL 78 HA VAL 78 -8.208 2.833 1.801 518 HB VAL 78 HB VAL 78 -10.333 1.970 -0.154 519 HG11 VAL 78 1HG1 VAL 78 -10.898 4.515 0.548 520 HG12 VAL 78 2HG1 VAL 78 -11.530 3.098 1.389 521 HG13 VAL 78 3HG1 VAL 78 -10.117 3.943 2.021 522 HG21 VAL 78 3HG2 VAL 78 -8.412 2.880 -1.389 523 HG22 VAL 78 1HG2 VAL 78 -9.816 3.946 -1.472 524 HG23 VAL 78 2HG2 VAL 78 -8.474 4.336 -0.395 525 H LEU 79 H LEU 79 -9.037 2.215 3.688 526 HA LEU 79 HA LEU 79 -10.351 -0.418 3.833 527 HB3 LEU 79 2HB LEU 79 -8.867 1.000 6.039 528 HG LEU 79 HG LEU 79 -10.355 -0.651 6.980 529 HD11 LEU 79 1HD1 LEU 79 -9.086 -2.590 5.052 530 HD12 LEU 79 2HD1 LEU 79 -10.743 -1.993 4.990 531 HD13 LEU 79 3HD1 LEU 79 -10.222 -3.006 6.335 532 HD21 LEU 79 3HD2 LEU 79 -7.520 -0.719 7.177 533 HD22 LEU 79 1HD2 LEU 79 -8.127 -2.371 7.308 534 HD23 LEU 79 2HD2 LEU 79 -8.722 -1.123 8.403 535 H ARG 80 H ARG 80 -12.470 -0.219 4.083 536 HA ARG 80 HA ARG 80 -14.517 0.618 4.651 537 HB3 ARG 80 2HB ARG 80 -13.157 1.393 7.231 538 HG3 ARG 80 2HG ARG 80 -15.947 0.986 6.408 539 HD3 ARG 80 2HD ARG 80 -15.296 0.232 9.210 540 HE ARG 80 HE ARG 80 -17.634 0.279 7.705 541 HH11 ARG 80 1HH1 ARG 80 -15.928 -1.909 9.808 542 HH12 ARG 80 2HH1 ARG 80 -17.364 -2.710 10.355 543 HH21 ARG 80 1HH2 ARG 80 -19.531 -0.767 8.417 544 HH22 ARG 80 2HH2 ARG 80 -19.413 -2.060 9.563 545 H LEU 81 H LEU 81 -13.831 2.350 2.990 546 HA LEU 81 HA LEU 81 -13.000 4.893 3.644 547 HB3 LEU 81 2HB LEU 81 -13.456 3.954 1.356 548 HG LEU 81 HG LEU 81 -15.518 4.135 0.280 549 HD11 LEU 81 1HD1 LEU 81 -15.348 2.190 1.795 550 HD12 LEU 81 2HD1 LEU 81 -17.011 2.712 1.522 551 HD13 LEU 81 3HD1 LEU 81 -16.197 3.116 3.034 552 HD21 LEU 81 3HD2 LEU 81 -17.224 5.511 0.836 553 HD22 LEU 81 1HD2 LEU 81 -15.956 6.336 1.745 554 HD23 LEU 81 2HD2 LEU 81 -17.044 5.217 2.566 555 H ARG 82 H ARG 82 -14.419 6.909 3.561 556 HA ARG 82 HA ARG 82 -16.897 6.515 5.094 557 HB3 ARG 82 2HB ARG 82 -14.690 8.489 5.691 558 HG3 ARG 82 2HG ARG 82 -16.941 9.501 6.002 559 HD3 ARG 82 2HD ARG 82 -17.230 7.132 7.818 560 HE ARG 82 HE ARG 82 -19.214 9.180 8.144 561 HH11 ARG 82 1HH1 ARG 82 -16.171 7.945 9.302 562 HH12 ARG 82 2HH1 ARG 82 -16.340 8.641 10.879 563 HH21 ARG 82 1HH2 ARG 82 -19.448 10.101 10.218 564 HH22 ARG 82 2HH2 ARG 82 -18.204 9.867 11.400 565 H GLY 83 H GLY 83 -15.044 9.280 3.800 566 HA2 GLY 83 2HA GLY 83 -16.716 9.841 1.636 567 HA3 GLY 83 3HA GLY 83 -17.348 10.718 3.021 568 H TYR 84 H TYR 84 -16.880 12.768 2.351 569 HA TYR 84 HA TYR 84 -14.016 13.412 2.108 570 HB3 TYR 84 2HB TYR 84 -14.577 15.157 0.487 571 HD1 TYR 84 1HD TYR 84 -17.059 12.532 -0.286 572 HD2 TYR 84 2HD TYR 84 -13.087 13.929 -0.902 573 HE1 TYR 84 1HE TYR 84 -16.772 10.900 -2.105 574 HE2 TYR 84 2HE TYR 84 -12.791 12.301 -2.723 575 HH TYR 84 HH TYR 84 -14.685 11.036 -4.387 576 H ALA 85 H ALA 85 -13.420 15.558 2.797 577 HA ALA 85 HA ALA 85 -15.331 17.136 4.277 578 HB1 ALA 85 1HB ALA 85 -15.002 16.117 6.232 579 HB2 ALA 85 2HB ALA 85 -13.614 15.215 5.624 580 HB3 ALA 85 3HB ALA 85 -13.402 16.859 6.226 581 H ASP 86 H ASP 86 -14.389 19.140 5.099 582 HA ASP 86 HA ASP 86 -12.688 20.363 3.230 583 HB3 ASP 86 2HB ASP 86 -14.380 21.483 4.769 584 H LEU 87 H LEU 87 -10.743 21.755 4.247 585 HA LEU 87 HA LEU 87 -8.976 19.847 5.631 586 HB3 LEU 87 2HB LEU 87 -8.245 19.896 3.384 587 HG LEU 87 HG LEU 87 -9.362 22.184 2.842 588 HD11 LEU 87 1HD1 LEU 87 -8.302 23.758 4.127 589 HD12 LEU 87 2HD1 LEU 87 -7.372 23.875 2.633 590 HD13 LEU 87 3HD1 LEU 87 -6.731 22.965 4.001 591 HD21 LEU 87 3HD2 LEU 87 -6.820 22.105 1.411 592 HD22 LEU 87 1HD2 LEU 87 -8.467 21.904 0.813 593 HD23 LEU 87 2HD2 LEU 87 -7.615 20.533 1.524 594 H ARG 88 H ARG 88 -7.184 20.845 6.811 595 HA ARG 88 HA ARG 88 -7.729 23.613 7.641 596 HB3 ARG 88 2HB ARG 88 -7.246 22.979 9.978 597 HG3 ARG 88 2HG ARG 88 -9.546 21.781 8.545 598 HD3 ARG 88 2HD ARG 88 -9.076 21.322 11.484 599 HE ARG 88 HE ARG 88 -11.366 20.931 9.816 600 HH11 ARG 88 1HH1 ARG 88 -9.639 19.703 12.578 601 HH12 ARG 88 2HH1 ARG 88 -11.039 18.971 13.291 602 HH21 ARG 88 1HH2 ARG 88 -13.216 19.973 10.746 603 HH22 ARG 88 2HH2 ARG 88 -13.072 19.125 12.248 604 H GLU 89 H GLU 89 -5.374 21.090 8.536 605 HA GLU 89 HA GLU 89 -3.231 22.987 7.836 606 HB3 GLU 89 2HB GLU 89 -2.784 20.673 9.678 607 HG3 GLU 89 2HG GLU 89 -1.723 23.480 9.820 608 H ASP 90 H ASP 90 -4.431 19.729 7.500 609 HA ASP 90 HA ASP 90 -3.897 18.036 6.077 610 HB3 ASP 90 2HB ASP 90 -2.090 19.122 4.237 611 HA PRO 91 HA PRO 91 -0.102 16.277 7.394 612 HB3 PRO 91 2HB PRO 91 -0.810 14.294 6.474 613 HG3 PRO 91 2HG PRO 91 -1.975 14.253 4.462 614 HD3 PRO 91 2HD PRO 91 -3.192 15.851 5.593 615 H ASP 92 H ASP 92 1.792 17.288 7.516 616 HA ASP 92 HA ASP 92 3.466 17.607 5.208 617 HB3 ASP 92 2HB ASP 92 2.249 20.021 6.542 618 H ARG 93 H ARG 93 5.509 17.315 5.816 619 HA ARG 93 HA ARG 93 6.367 18.167 8.477 620 HB3 ARG 93 2HB ARG 93 7.382 16.025 8.985 621 HG3 ARG 93 2HG ARG 93 4.712 15.088 8.114 622 HD3 ARG 93 2HD ARG 93 5.816 15.160 10.893 623 HE ARG 93 HE ARG 93 3.717 13.706 9.590 624 HH11 ARG 93 1HH1 ARG 93 6.005 13.663 12.213 625 HH12 ARG 93 2HH1 ARG 93 5.071 12.575 13.183 626 HH21 ARG 93 1HH2 ARG 93 2.477 12.271 10.858 627 HH22 ARG 93 2HH2 ARG 93 3.065 11.783 12.412 628 H GLN 94 H GLN 94 8.887 17.182 8.535 629 HA GLN 94 HA GLN 94 10.127 18.549 6.254 630 HB3 GLN 94 2HB GLN 94 11.999 18.986 7.638 631 HG3 GLN 94 2HG GLN 94 9.593 19.167 9.437 632 HE21 GLN 94 1HE2 GLN 94 12.099 21.471 8.602 633 HE22 GLN 94 2HE2 GLN 94 12.726 21.658 10.202 634 H ASP 95 H ASP 95 12.416 17.669 5.762 635 HA ASP 95 HA ASP 95 12.962 14.922 6.147 636 HB3 ASP 95 2HB ASP 95 12.198 15.452 3.301 637 H HIS 96 H HIS 96 15.099 15.063 6.257 638 HA HIS 96 HA HIS 96 16.574 16.136 3.991 639 HB3 HIS 96 2HB HIS 96 17.469 17.048 6.695 640 HD1 HIS 96 1HD HIS 96 19.264 18.802 6.479 641 HD2 HIS 96 2HD HIS 96 17.472 17.875 2.848 642 HE1 HIS 96 1HE HIS 96 20.656 19.953 4.730 643 H HIS 97 H HIS 97 18.580 15.214 3.711 644 HA HIS 97 HA HIS 97 19.276 13.076 5.617 645 HB3 HIS 97 2HB HIS 97 20.544 12.355 3.307 646 HD1 HIS 97 1HD HIS 97 16.893 12.183 4.394 647 HD2 HIS 97 2HD HIS 97 20.073 9.704 3.391 648 HE1 HIS 97 1HE HIS 97 16.037 9.837 4.694 649 HA PRO 98 HA PRO 98 23.249 14.827 6.242 650 HB3 PRO 98 2HB PRO 98 23.695 13.066 7.648 651 HG3 PRO 98 2HG PRO 98 22.949 10.919 7.157 652 HD3 PRO 98 2HD PRO 98 20.987 12.096 6.874 653 H GLY 99 H GLY 99 25.644 14.567 5.442 654 HA2 GLY 99 2HA GLY 99 26.646 13.577 3.211 655 HA3 GLY 99 3HA GLY 99 25.519 14.737 2.526 656 H SER 100 H SER 100 28.406 14.360 4.490 657 HA SER 100 HA SER 100 29.643 16.655 3.431 658 HB3 SER 100 2HB SER 100 28.224 18.038 4.714 659 HG SER 100 HG SER 100 27.209 17.105 6.294 660 H GLY 101 H GLY 101 31.778 16.404 3.647 661 HA2 GLY 101 2HA GLY 101 32.721 14.551 5.746 662 HA3 GLY 101 3HA GLY 101 33.458 14.694 4.158 663 H ALA 102 H ALA 102 34.959 14.880 6.476 664 HA ALA 102 HA ALA 102 36.371 17.272 6.052 665 HB1 ALA 102 1HB ALA 102 34.141 17.569 7.777 666 HB2 ALA 102 2HB ALA 102 35.606 17.697 8.752 667 HB3 ALA 102 3HB ALA 102 35.377 18.758 7.362 668 H GLN 103 H GLN 103 38.407 16.955 6.705 669 HA GLN 103 HA GLN 103 38.902 14.790 8.638 670 HB3 GLN 103 2HB GLN 103 41.274 14.957 7.510 671 HG3 GLN 103 2HG GLN 103 39.233 13.806 5.679 672 HE21 GLN 103 1HE2 GLN 103 40.969 13.697 4.222 673 HE22 GLN 103 2HE2 GLN 103 42.249 12.555 4.429 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -20.536 26.461 -2.027 2 HA2 GLY 1 2HA GLY 1 -18.734 25.016 -0.750 3 HA3 GLY 1 3HA GLY 1 -20.273 24.288 -1.187 4 H SER 2 H SER 2 -16.904 24.649 -2.109 5 HA SER 2 HA SER 2 -16.806 21.996 -3.148 6 HB3 SER 2 2HB SER 2 -15.987 22.885 -5.470 7 HG SER 2 HG SER 2 -18.657 23.222 -5.559 8 H LEU 3 H LEU 3 -14.578 21.802 -4.460 9 HA LEU 3 HA LEU 3 -12.555 23.434 -3.090 10 HB3 LEU 3 2HB LEU 3 -12.394 21.550 -1.790 11 HG LEU 3 HG LEU 3 -12.365 19.196 -2.671 12 HD11 LEU 3 1HD1 LEU 3 -15.061 20.162 -3.312 13 HD12 LEU 3 2HD1 LEU 3 -14.417 20.717 -1.767 14 HD13 LEU 3 3HD1 LEU 3 -14.528 18.989 -2.106 15 HD21 LEU 3 3HD2 LEU 3 -13.021 18.667 -4.809 16 HD22 LEU 3 1HD2 LEU 3 -12.106 20.148 -5.094 17 HD23 LEU 3 2HD2 LEU 3 -13.869 20.195 -5.045 18 H VAL 4 H VAL 4 -10.443 23.404 -4.135 19 HA VAL 4 HA VAL 4 -10.724 23.169 -7.044 20 HB VAL 4 HB VAL 4 -8.603 24.598 -5.435 21 HG11 VAL 4 1HG1 VAL 4 -7.846 23.806 -7.649 22 HG12 VAL 4 2HG1 VAL 4 -9.171 24.702 -8.396 23 HG13 VAL 4 3HG1 VAL 4 -7.897 25.565 -7.534 24 HG21 VAL 4 3HG2 VAL 4 -9.881 26.575 -6.666 25 HG22 VAL 4 1HG2 VAL 4 -11.222 25.436 -6.545 26 HG23 VAL 4 2HG2 VAL 4 -10.386 25.972 -5.087 27 HA PRO 5 HA PRO 5 -8.170 19.558 -7.049 28 HB3 PRO 5 2HB PRO 5 -9.205 19.028 -9.030 29 HG3 PRO 5 2HG PRO 5 -9.899 20.689 -10.503 30 HD3 PRO 5 2HD PRO 5 -10.819 21.484 -8.545 31 H ARG 6 H ARG 6 -6.396 20.426 -5.870 32 HA ARG 6 HA ARG 6 -4.241 21.534 -7.547 33 HB3 ARG 6 2HB ARG 6 -3.365 22.182 -5.130 34 HG3 ARG 6 2HG ARG 6 -4.658 24.328 -5.236 35 HD3 ARG 6 2HD ARG 6 -3.728 24.993 -7.470 36 HE ARG 6 HE ARG 6 -1.509 23.625 -6.290 37 HH11 ARG 6 1HH1 ARG 6 -3.794 26.215 -5.852 38 HH12 ARG 6 2HH1 ARG 6 -2.762 27.121 -4.796 39 HH21 ARG 6 1HH2 ARG 6 -0.141 24.808 -4.901 40 HH22 ARG 6 2HH2 ARG 6 -0.684 26.320 -4.256 41 H GLY 7 H GLY 7 -2.594 20.211 -7.924 42 HA2 GLY 7 2HA GLY 7 -1.267 18.703 -5.962 43 HA3 GLY 7 3HA GLY 7 -2.372 17.639 -6.818 44 H SER 8 H SER 8 0.075 16.845 -7.058 45 HA SER 8 HA SER 8 0.987 17.841 -9.679 46 HB3 SER 8 2HB SER 8 3.282 17.015 -8.940 47 HG SER 8 HG SER 8 3.563 18.902 -7.544 48 H MET 9 H MET 9 0.740 15.032 -7.538 49 HA MET 9 HA MET 9 1.081 13.271 -9.866 50 HB3 MET 9 2HB MET 9 1.884 11.626 -8.466 51 HG3 MET 9 2HG MET 9 3.364 12.530 -6.783 52 HE1 MET 9 3HE MET 9 4.370 15.398 -7.055 53 HE2 MET 9 1HE MET 9 5.785 14.415 -7.436 54 HE3 MET 9 2HE MET 9 5.284 15.703 -8.532 55 H GLN 10 H GLN 10 -0.565 12.075 -10.613 56 HA GLN 10 HA GLN 10 -2.988 11.848 -8.962 57 HB3 GLN 10 2HB GLN 10 -4.381 12.241 -10.921 58 HG3 GLN 10 2HG GLN 10 -2.465 14.295 -10.051 59 HE21 GLN 10 1HE2 GLN 10 -4.596 16.193 -11.122 60 HE22 GLN 10 2HE2 GLN 10 -4.050 16.561 -12.719 61 H ILE 11 H ILE 11 -4.045 9.915 -9.044 62 HA ILE 11 HA ILE 11 -3.295 7.937 -11.044 63 HB ILE 11 HB ILE 11 -1.895 7.892 -8.718 64 HG13 ILE 11 2HG1 ILE 11 -1.231 6.562 -10.557 65 HG21 ILE 11 1HG2 ILE 11 -2.760 6.375 -7.166 66 HG22 ILE 11 2HG2 ILE 11 -4.134 7.403 -7.574 67 HG23 ILE 11 3HG2 ILE 11 -3.994 5.795 -8.284 68 HD11 ILE 11 3HD1 ILE 11 -0.461 4.708 -9.558 69 HD12 ILE 11 1HD1 ILE 11 -1.133 5.456 -8.109 70 HD13 ILE 11 2HD1 ILE 11 -2.056 4.228 -8.978 71 H PHE 12 H PHE 12 -4.557 5.822 -10.577 72 HA PHE 12 HA PHE 12 -7.310 6.603 -9.917 73 HB3 PHE 12 2HB PHE 12 -7.177 4.026 -11.154 74 HD1 PHE 12 2HD PHE 12 -7.377 7.524 -12.442 75 HD2 PHE 12 1HD PHE 12 -9.376 3.831 -11.755 76 HE1 PHE 12 2HE PHE 12 -9.402 8.426 -13.508 77 HE2 PHE 12 1HE PHE 12 -11.405 4.726 -12.820 78 HZ PHE 12 HZ PHE 12 -11.420 7.028 -13.698 79 H VAL 13 H VAL 13 -8.210 5.861 -8.119 80 HA VAL 13 HA VAL 13 -7.220 3.341 -6.967 81 HB VAL 13 HB VAL 13 -7.880 5.826 -5.379 82 HG11 VAL 13 1HG1 VAL 13 -7.957 3.130 -4.630 83 HG12 VAL 13 2HG1 VAL 13 -6.460 3.774 -3.953 84 HG13 VAL 13 3HG1 VAL 13 -8.002 4.540 -3.572 85 HG21 VAL 13 3HG2 VAL 13 -5.399 4.837 -6.554 86 HG22 VAL 13 1HG2 VAL 13 -5.793 6.431 -5.910 87 HG23 VAL 13 2HG2 VAL 13 -5.280 5.143 -4.821 88 H LYS 14 H LYS 14 -8.762 1.949 -6.355 89 HA LYS 14 HA LYS 14 -11.539 2.932 -6.253 90 HB3 LYS 14 2HB LYS 14 -11.891 0.330 -6.837 91 HG3 LYS 14 2HG LYS 14 -11.442 1.331 -9.371 92 HD3 LYS 14 2HD LYS 14 -13.544 0.398 -7.955 93 HE3 LYS 14 2HE LYS 14 -13.713 3.328 -7.921 94 HZ1 LYS 14 3HZ LYS 14 -15.308 3.075 -9.612 95 HZ2 LYS 14 1HZ LYS 14 -16.194 3.181 -8.174 96 HZ3 LYS 14 2HZ LYS 14 -15.963 1.679 -8.917 97 H THR 15 H THR 15 -12.440 2.769 -4.319 98 HA THR 15 HA THR 15 -11.196 1.277 -2.206 99 HB THR 15 HB THR 15 -12.950 2.142 -0.772 100 HG1 THR 15 1HG THR 15 -14.163 2.851 -3.238 101 HG21 THR 15 3HG2 THR 15 -11.055 3.642 -1.904 102 HG22 THR 15 1HG2 THR 15 -12.235 4.307 -0.776 103 HG23 THR 15 2HG2 THR 15 -12.471 4.498 -2.513 104 H LEU 16 H LEU 16 -12.767 -0.022 -0.719 105 HA LEU 16 HA LEU 16 -13.676 -2.261 -2.272 106 HB3 LEU 16 2HB LEU 16 -12.582 -2.776 -0.246 107 HG LEU 16 HG LEU 16 -13.712 -0.502 0.886 108 HD11 LEU 16 1HD1 LEU 16 -14.959 -2.999 1.965 109 HD12 LEU 16 2HD1 LEU 16 -15.705 -1.442 1.606 110 HD13 LEU 16 3HD1 LEU 16 -14.658 -1.613 3.014 111 HD21 LEU 16 3HD2 LEU 16 -12.564 -1.879 2.977 112 HD22 LEU 16 1HD2 LEU 16 -11.720 -0.840 1.829 113 HD23 LEU 16 2HD2 LEU 16 -11.791 -2.581 1.555 114 H THR 17 H THR 17 -15.080 0.619 -1.461 115 HA THR 17 HA THR 17 -17.788 -0.531 -1.356 116 HB THR 17 HB THR 17 -17.036 1.037 0.504 117 HG1 THR 17 1HG THR 17 -19.285 0.581 -0.169 118 HG21 THR 17 3HG2 THR 17 -17.343 3.062 -1.716 119 HG22 THR 17 1HG2 THR 17 -15.858 2.678 -0.848 120 HG23 THR 17 2HG2 THR 17 -17.200 3.447 -0.001 121 H GLY 18 H GLY 18 -15.661 1.611 -3.112 122 HA2 GLY 18 2HA GLY 18 -16.282 1.589 -5.573 123 HA3 GLY 18 3HA GLY 18 -17.842 2.176 -5.018 124 H LYS 19 H LYS 19 -15.971 3.629 -2.911 125 HA LYS 19 HA LYS 19 -16.135 6.170 -4.107 126 HB3 LYS 19 2HB LYS 19 -14.180 6.360 -2.123 127 HG3 LYS 19 2HG LYS 19 -16.122 7.832 -2.317 128 HD3 LYS 19 2HD LYS 19 -17.679 5.579 -1.052 129 HE3 LYS 19 2HE LYS 19 -19.443 7.394 -2.091 130 HZ1 LYS 19 3HZ LYS 19 -19.284 6.288 0.195 131 HZ2 LYS 19 1HZ LYS 19 -20.036 7.801 0.097 132 HZ3 LYS 19 2HZ LYS 19 -18.450 7.680 0.672 133 H THR 20 H THR 20 -14.488 7.579 -4.833 134 HA THR 20 HA THR 20 -12.051 6.206 -5.769 135 HB THR 20 HB THR 20 -12.293 8.297 -7.503 136 HG1 THR 20 1HG THR 20 -14.523 8.224 -8.183 137 HG21 THR 20 3HG2 THR 20 -13.347 5.482 -7.748 138 HG22 THR 20 1HG2 THR 20 -11.753 6.075 -8.211 139 HG23 THR 20 2HG2 THR 20 -13.180 6.587 -9.112 140 H ILE 21 H ILE 21 -10.161 7.086 -5.208 141 HA ILE 21 HA ILE 21 -10.110 9.888 -4.321 142 HB ILE 21 HB ILE 21 -8.422 9.163 -2.565 143 HG13 ILE 21 2HG1 ILE 21 -8.164 6.948 -1.977 144 HG21 ILE 21 1HG2 ILE 21 -10.586 9.912 -1.898 145 HG22 ILE 21 2HG2 ILE 21 -11.319 8.372 -2.346 146 HG23 ILE 21 3HG2 ILE 21 -10.218 8.458 -0.971 147 HD11 ILE 21 3HD1 ILE 21 -9.793 5.169 -2.957 148 HD12 ILE 21 1HD1 ILE 21 -10.227 6.074 -1.507 149 HD13 ILE 21 2HD1 ILE 21 -10.901 6.536 -3.070 150 H THR 22 H THR 22 -8.366 11.045 -4.953 151 HA THR 22 HA THR 22 -6.647 9.900 -6.949 152 HB THR 22 HB THR 22 -6.132 12.611 -5.799 153 HG1 THR 22 1HG THR 22 -7.862 13.242 -7.430 154 HG21 THR 22 3HG2 THR 22 -4.713 12.293 -7.564 155 HG22 THR 22 1HG2 THR 22 -6.100 12.945 -8.433 156 HG23 THR 22 2HG2 THR 22 -5.819 11.204 -8.400 157 H LEU 23 H LEU 23 -4.723 8.998 -6.642 158 HA LEU 23 HA LEU 23 -3.331 9.504 -4.095 159 HB3 LEU 23 2HB LEU 23 -2.240 7.193 -5.103 160 HG LEU 23 HG LEU 23 -3.737 5.925 -3.517 161 HD11 LEU 23 1HD1 LEU 23 -2.299 8.339 -2.424 162 HD12 LEU 23 2HD1 LEU 23 -1.548 6.809 -2.872 163 HD13 LEU 23 3HD1 LEU 23 -2.696 6.868 -1.535 164 HD21 LEU 23 3HD2 LEU 23 -5.392 6.938 -2.320 165 HD22 LEU 23 1HD2 LEU 23 -5.516 7.864 -3.816 166 HD23 LEU 23 2HD2 LEU 23 -4.652 8.535 -2.432 167 H GLU 24 H GLU 24 -0.979 9.420 -4.162 168 HA GLU 24 HA GLU 24 0.031 10.586 -6.654 169 HB3 GLU 24 2HB GLU 24 0.338 11.898 -4.599 170 HG3 GLU 24 2HG GLU 24 1.702 9.428 -3.650 171 H VAL 25 H VAL 25 2.023 9.906 -7.556 172 HA VAL 25 HA VAL 25 2.915 7.227 -6.716 173 HB VAL 25 HB VAL 25 3.126 6.491 -8.965 174 HG11 VAL 25 1HG1 VAL 25 0.490 7.929 -8.980 175 HG12 VAL 25 2HG1 VAL 25 0.884 6.338 -9.633 176 HG13 VAL 25 3HG1 VAL 25 0.811 6.583 -7.887 177 HG21 VAL 25 3HG2 VAL 25 2.463 9.327 -9.738 178 HG22 VAL 25 1HG2 VAL 25 3.958 8.445 -10.047 179 HG23 VAL 25 2HG2 VAL 25 2.473 7.980 -10.876 180 H GLU 26 H GLU 26 5.101 6.778 -6.922 181 HA GLU 26 HA GLU 26 6.989 8.335 -8.270 182 HB3 GLU 26 2HB GLU 26 7.546 8.940 -5.472 183 HG3 GLU 26 2HG GLU 26 8.737 9.971 -7.358 184 HA PRO 27 HA PRO 27 9.114 4.596 -7.222 185 HB3 PRO 27 2HB PRO 27 10.042 4.730 -9.320 186 HG3 PRO 27 2HG PRO 27 10.479 6.789 -10.309 187 HD3 PRO 27 2HD PRO 27 8.292 7.118 -9.660 188 H SER 28 H SER 28 9.931 7.742 -6.163 189 HA SER 28 HA SER 28 11.987 6.679 -4.343 190 HB3 SER 28 2HB SER 28 11.584 9.323 -5.651 191 HG SER 28 HG SER 28 13.143 9.232 -3.325 192 H ASP 29 H ASP 29 8.798 7.801 -4.507 193 HA ASP 29 HA ASP 29 8.743 8.486 -1.652 194 HB3 ASP 29 2HB ASP 29 6.301 8.775 -3.316 195 H THR 30 H THR 30 7.999 7.069 -0.226 196 HA THR 30 HA THR 30 6.727 4.626 -1.184 197 HB THR 30 HB THR 30 8.604 4.415 0.392 198 HG1 THR 30 1HG THR 30 7.442 2.681 0.787 199 HG21 THR 30 3HG2 THR 30 6.803 6.045 2.161 200 HG22 THR 30 1HG2 THR 30 8.494 6.327 1.753 201 HG23 THR 30 2HG2 THR 30 8.056 4.998 2.827 202 H ILE 31 H ILE 31 4.986 3.709 0.328 203 HA ILE 31 HA ILE 31 2.699 5.265 0.175 204 HB ILE 31 HB ILE 31 3.343 2.867 1.872 205 HG13 ILE 31 2HG1 ILE 31 1.835 3.383 -0.676 206 HG21 ILE 31 1HG2 ILE 31 0.847 4.518 1.816 207 HG22 ILE 31 2HG2 ILE 31 0.782 2.790 2.158 208 HG23 ILE 31 3HG2 ILE 31 1.717 3.859 3.201 209 HD11 ILE 31 3HD1 ILE 31 3.061 1.194 -1.249 210 HD12 ILE 31 1HD1 ILE 31 3.973 2.703 -1.222 211 HD13 ILE 31 2HD1 ILE 31 4.075 1.587 0.140 212 H GLU 32 H GLU 32 5.143 5.158 2.637 213 HA GLU 32 HA GLU 32 3.828 6.127 4.857 214 HB3 GLU 32 2HB GLU 32 6.586 6.968 3.953 215 HG3 GLU 32 2HG GLU 32 5.563 6.579 6.752 216 H ASN 33 H ASN 33 5.441 8.078 2.343 217 HA ASN 33 HA ASN 33 4.319 10.521 3.367 218 HB3 ASN 33 2HB ASN 33 5.417 10.599 0.647 219 HD21 ASN 33 1HD2 ASN 33 7.742 11.295 2.897 220 HD22 ASN 33 2HD2 ASN 33 7.429 12.981 3.105 221 H VAL 34 H VAL 34 3.739 8.391 0.609 222 HA VAL 34 HA VAL 34 1.942 9.913 -0.840 223 HB VAL 34 HB VAL 34 1.834 6.925 -0.403 224 HG11 VAL 34 1HG1 VAL 34 0.965 7.544 -2.973 225 HG12 VAL 34 2HG1 VAL 34 -0.028 7.005 -1.617 226 HG13 VAL 34 3HG1 VAL 34 0.176 8.729 -1.931 227 HG21 VAL 34 3HG2 VAL 34 3.890 8.386 -1.486 228 HG22 VAL 34 1HG2 VAL 34 3.555 6.685 -1.813 229 HG23 VAL 34 2HG2 VAL 34 2.949 7.930 -2.905 230 H LYS 35 H LYS 35 1.444 8.109 2.120 231 HA LYS 35 HA LYS 35 -1.305 7.910 2.215 232 HB3 LYS 35 2HB LYS 35 0.489 7.120 3.903 233 HG3 LYS 35 2HG LYS 35 0.970 9.688 4.406 234 HD3 LYS 35 2HD LYS 35 -1.438 8.979 5.984 235 HE3 LYS 35 2HE LYS 35 -0.654 10.719 7.693 236 HZ1 LYS 35 3HZ LYS 35 -0.923 8.466 8.367 237 HZ2 LYS 35 1HZ LYS 35 0.554 9.006 8.992 238 HZ3 LYS 35 2HZ LYS 35 0.528 7.998 7.634 239 H ALA 36 H ALA 36 0.692 10.731 2.529 240 HA ALA 36 HA ALA 36 -1.139 12.441 3.819 241 HB1 ALA 36 1HB ALA 36 1.086 13.167 3.771 242 HB2 ALA 36 2HB ALA 36 1.216 12.944 2.026 243 HB3 ALA 36 3HB ALA 36 0.241 14.262 2.678 244 H LYS 37 H LYS 37 -0.519 11.802 0.385 245 HA LYS 37 HA LYS 37 -2.315 13.702 -0.651 246 HB3 LYS 37 2HB LYS 37 -2.329 11.900 -2.613 247 HG3 LYS 37 2HG LYS 37 0.305 12.691 -2.803 248 HD3 LYS 37 2HD LYS 37 -1.973 13.067 -4.198 249 HE3 LYS 37 2HE LYS 37 -1.237 15.727 -2.989 250 HZ1 LYS 37 3HZ LYS 37 -3.221 16.320 -4.605 251 HZ2 LYS 37 1HZ LYS 37 -2.538 15.070 -5.518 252 HZ3 LYS 37 2HZ LYS 37 -1.606 16.418 -5.100 253 H ILE 38 H ILE 38 -2.735 10.211 -0.077 254 HA ILE 38 HA ILE 38 -5.445 10.123 -0.853 255 HB ILE 38 HB ILE 38 -3.942 8.132 -0.636 256 HG13 ILE 38 2HG1 ILE 38 -5.729 6.719 -0.367 257 HG21 ILE 38 1HG2 ILE 38 -2.910 8.629 1.487 258 HG22 ILE 38 2HG2 ILE 38 -4.469 8.536 2.304 259 HG23 ILE 38 3HG2 ILE 38 -3.757 7.086 1.596 260 HD11 ILE 38 3HD1 ILE 38 -7.615 7.271 1.294 261 HD12 ILE 38 1HD1 ILE 38 -6.108 6.594 1.907 262 HD13 ILE 38 2HD1 ILE 38 -6.420 8.323 2.054 263 H GLN 39 H GLN 39 -3.864 10.907 2.163 264 HA GLN 39 HA GLN 39 -6.068 10.650 3.888 265 HB3 GLN 39 2HB GLN 39 -3.704 12.525 4.077 266 HG3 GLN 39 2HG GLN 39 -5.483 11.512 6.282 267 HE21 GLN 39 1HE2 GLN 39 -2.966 10.903 6.649 268 HE22 GLN 39 2HE2 GLN 39 -2.162 12.027 7.685 269 H ASP 40 H ASP 40 -5.118 13.162 1.664 270 HA ASP 40 HA ASP 40 -6.914 15.140 2.713 271 HB3 ASP 40 2HB ASP 40 -6.171 15.581 -0.048 272 H LYS 41 H LYS 41 -7.118 12.537 0.447 273 HA LYS 41 HA LYS 41 -9.467 13.492 -0.901 274 HB3 LYS 41 2HB LYS 41 -9.420 11.479 -2.114 275 HG3 LYS 41 2HG LYS 41 -7.208 11.151 -2.858 276 HD3 LYS 41 2HD LYS 41 -6.373 13.370 -3.170 277 HE3 LYS 41 2HE LYS 41 -9.131 14.245 -2.855 278 HZ1 LYS 41 3HZ LYS 41 -8.206 15.303 -4.591 279 HZ2 LYS 41 1HZ LYS 41 -8.705 13.944 -5.467 280 HZ3 LYS 41 2HZ LYS 41 -7.108 14.060 -4.925 281 H GLU 42 H GLU 42 -8.858 10.857 1.425 282 HA GLU 42 HA GLU 42 -11.663 11.111 2.287 283 HB3 GLU 42 2HB GLU 42 -11.288 8.578 2.907 284 HG3 GLU 42 2HG GLU 42 -11.828 9.548 0.114 285 H GLY 43 H GLY 43 -8.334 10.414 3.175 286 HA2 GLY 43 2HA GLY 43 -7.330 11.107 5.191 287 HA3 GLY 43 3HA GLY 43 -8.929 11.281 5.901 288 H ILE 44 H ILE 44 -8.144 8.388 4.164 289 HA ILE 44 HA ILE 44 -8.683 6.760 6.438 290 HB ILE 44 HB ILE 44 -7.964 6.270 3.602 291 HG13 ILE 44 2HG1 ILE 44 -10.258 6.151 5.178 292 HG21 ILE 44 1HG2 ILE 44 -7.702 3.816 4.125 293 HG22 ILE 44 2HG2 ILE 44 -6.339 4.845 4.563 294 HG23 ILE 44 3HG2 ILE 44 -7.459 4.288 5.806 295 HD11 ILE 44 3HD1 ILE 44 -9.556 5.540 2.414 296 HD12 ILE 44 1HD1 ILE 44 -10.960 4.657 3.011 297 HD13 ILE 44 2HD1 ILE 44 -10.935 6.419 3.073 298 HA PRO 45 HA PRO 45 -4.647 6.560 8.207 299 HB3 PRO 45 2HB PRO 45 -5.698 5.868 10.129 300 HG3 PRO 45 2HG PRO 45 -7.615 4.554 10.041 301 HD3 PRO 45 2HD PRO 45 -8.214 6.229 8.576 302 HA PRO 46 HA PRO 46 -2.703 3.800 5.260 303 HB3 PRO 46 2HB PRO 46 -1.269 5.534 4.797 304 HG3 PRO 46 2HG PRO 46 -0.744 7.121 6.414 305 HD3 PRO 46 2HD PRO 46 -3.043 7.134 6.577 306 H ASP 47 H ASP 47 -1.476 4.243 8.570 307 HA ASP 47 HA ASP 47 -0.007 1.851 8.704 308 HB3 ASP 47 2HB ASP 47 -0.006 2.182 11.118 309 H GLN 48 H GLN 48 -3.356 2.396 8.666 310 HA GLN 48 HA GLN 48 -3.897 -0.236 9.859 311 HB3 GLN 48 2HB GLN 48 -6.119 0.485 10.289 312 HG3 GLN 48 2HG GLN 48 -5.893 2.635 11.492 313 HE21 GLN 48 1HE2 GLN 48 -3.496 2.854 12.982 314 HE22 GLN 48 2HE2 GLN 48 -3.297 1.390 13.879 315 H GLN 49 H GLN 49 -4.094 1.642 6.951 316 HA GLN 49 HA GLN 49 -5.784 -0.283 5.593 317 HB3 GLN 49 2HB GLN 49 -5.552 2.354 5.260 318 HG3 GLN 49 2HG GLN 49 -3.873 1.313 3.000 319 HE21 GLN 49 1HE2 GLN 49 -6.159 2.858 2.690 320 HE22 GLN 49 2HE2 GLN 49 -5.694 4.459 2.237 321 H ARG 50 H ARG 50 -5.077 -1.195 3.485 322 HA ARG 50 HA ARG 50 -2.256 -2.029 3.634 323 HB3 ARG 50 2HB ARG 50 -3.759 -3.889 4.020 324 HG3 ARG 50 2HG ARG 50 -4.926 -4.250 1.457 325 HD3 ARG 50 2HD ARG 50 -6.638 -3.532 3.745 326 HE ARG 50 HE ARG 50 -6.686 -5.474 1.642 327 HH11 ARG 50 1HH1 ARG 50 -7.888 -4.710 4.818 328 HH12 ARG 50 2HH1 ARG 50 -9.316 -5.678 4.654 329 HH21 ARG 50 1HH2 ARG 50 -8.561 -6.751 1.412 330 HH22 ARG 50 2HH2 ARG 50 -9.697 -6.840 2.716 331 H LEU 51 H LEU 51 -1.793 -3.104 1.246 332 HA LEU 51 HA LEU 51 -2.461 -1.016 -0.718 333 HB3 LEU 51 2HB LEU 51 0.215 -2.378 -0.483 334 HG LEU 51 HG LEU 51 -0.507 -1.234 -2.709 335 HD11 LEU 51 1HD1 LEU 51 0.034 1.166 -2.749 336 HD12 LEU 51 2HD1 LEU 51 0.185 1.146 -0.992 337 HD13 LEU 51 3HD1 LEU 51 -1.373 0.809 -1.748 338 HD21 LEU 51 3HD2 LEU 51 1.721 -2.034 -2.333 339 HD22 LEU 51 1HD2 LEU 51 2.087 -0.666 -1.281 340 HD23 LEU 51 2HD2 LEU 51 1.822 -0.405 -3.006 341 H ILE 52 H ILE 52 -3.085 -1.717 -2.679 342 HA ILE 52 HA ILE 52 -2.732 -4.578 -3.292 343 HB ILE 52 HB ILE 52 -5.186 -2.872 -3.558 344 HG13 ILE 52 2HG1 ILE 52 -4.606 -5.637 -2.480 345 HG21 ILE 52 1HG2 ILE 52 -6.103 -4.843 -4.915 346 HG22 ILE 52 2HG2 ILE 52 -5.062 -3.687 -5.743 347 HG23 ILE 52 3HG2 ILE 52 -4.414 -5.243 -5.225 348 HD11 ILE 52 3HD1 ILE 52 -4.221 -4.524 -0.597 349 HD12 ILE 52 1HD1 ILE 52 -4.866 -3.020 -1.249 350 HD13 ILE 52 2HD1 ILE 52 -5.957 -4.223 -0.563 351 H PHE 53 H PHE 53 -1.516 -4.847 -5.033 352 HA PHE 53 HA PHE 53 -1.742 -2.896 -7.226 353 HB3 PHE 53 2HB PHE 53 0.722 -4.113 -6.007 354 HD1 PHE 53 2HD PHE 53 -0.390 -2.286 -9.061 355 HD2 PHE 53 1HD PHE 53 2.569 -4.732 -7.222 356 HE1 PHE 53 2HE PHE 53 0.826 -2.417 -11.197 357 HE2 PHE 53 1HE PHE 53 3.789 -4.866 -9.354 358 HZ PHE 53 HZ PHE 53 2.918 -3.708 -11.345 359 H ALA 54 H ALA 54 -2.549 -3.822 -8.977 360 HA ALA 54 HA ALA 54 -3.063 -5.347 -10.587 361 HB1 ALA 54 1HB ALA 54 -0.828 -7.160 -10.073 362 HB2 ALA 54 2HB ALA 54 -1.271 -6.288 -11.541 363 HB3 ALA 54 3HB ALA 54 -0.353 -5.473 -10.274 364 H GLY 55 H GLY 55 -4.051 -5.744 -7.873 365 HA2 GLY 55 2HA GLY 55 -5.558 -7.323 -7.046 366 HA3 GLY 55 3HA GLY 55 -4.928 -8.492 -8.197 367 H LYS 56 H LYS 56 -2.214 -7.354 -6.946 368 HA LYS 56 HA LYS 56 -2.094 -9.478 -4.931 369 HB3 LYS 56 2HB LYS 56 0.218 -7.909 -6.071 370 HG3 LYS 56 2HG LYS 56 0.409 -10.752 -5.252 371 HD3 LYS 56 2HD LYS 56 2.641 -9.882 -4.453 372 HE3 LYS 56 2HE LYS 56 2.061 -10.876 -6.784 373 HZ1 LYS 56 3HZ LYS 56 1.359 -9.265 -8.166 374 HZ2 LYS 56 1HZ LYS 56 3.012 -8.979 -8.382 375 HZ3 LYS 56 2HZ LYS 56 2.121 -8.021 -7.311 376 H GLN 57 H GLN 57 -2.040 -9.030 -2.830 377 HA GLN 57 HA GLN 57 -2.033 -6.285 -1.948 378 HB3 GLN 57 2HB GLN 57 -3.472 -8.194 -1.014 379 HG3 GLN 57 2HG GLN 57 -1.431 -8.686 1.032 380 HE21 GLN 57 1HE2 GLN 57 -1.932 -10.489 2.175 381 HE22 GLN 57 2HE2 GLN 57 -3.325 -11.466 1.872 382 H LEU 58 H LEU 58 -0.507 -5.271 -0.685 383 HA LEU 58 HA LEU 58 1.930 -6.722 0.007 384 HB3 LEU 58 2HB LEU 58 3.384 -5.135 -1.029 385 HG LEU 58 HG LEU 58 1.981 -6.846 -2.595 386 HD11 LEU 58 1HD1 LEU 58 1.114 -5.748 -4.502 387 HD12 LEU 58 2HD1 LEU 58 1.707 -4.179 -3.958 388 HD13 LEU 58 3HD1 LEU 58 0.382 -4.966 -3.102 389 HD21 LEU 58 3HD2 LEU 58 3.974 -4.838 -3.633 390 HD22 LEU 58 1HD2 LEU 58 3.663 -6.460 -4.253 391 HD23 LEU 58 2HD2 LEU 58 4.401 -6.250 -2.665 392 H GLU 59 H GLU 59 3.485 -4.631 0.844 393 HA GLU 59 HA GLU 59 1.833 -3.158 2.773 394 HB3 GLU 59 2HB GLU 59 3.554 -3.614 4.521 395 HG3 GLU 59 2HG GLU 59 2.425 -6.183 3.445 396 H ASP 60 H ASP 60 3.610 -1.713 4.102 397 HA ASP 60 HA ASP 60 4.924 -0.144 1.994 398 HB3 ASP 60 2HB ASP 60 3.121 0.730 3.774 399 H GLY 61 H GLY 61 6.799 1.262 3.106 400 HA2 GLY 61 2HA GLY 61 8.532 0.926 4.923 401 HA3 GLY 61 3HA GLY 61 8.604 -0.727 4.333 402 H ARG 62 H ARG 62 8.496 -0.247 1.578 403 HA ARG 62 HA ARG 62 10.975 1.278 1.123 404 HB3 ARG 62 2HB ARG 62 11.690 -0.380 -0.485 405 HG3 ARG 62 2HG ARG 62 11.803 -2.460 0.923 406 HD3 ARG 62 2HD ARG 62 12.506 -0.027 2.530 407 HE ARG 62 HE ARG 62 14.482 -2.046 2.190 408 HH11 ARG 62 1HH1 ARG 62 11.561 -1.273 3.921 409 HH12 ARG 62 2HH1 ARG 62 11.937 -2.291 5.272 410 HH21 ARG 62 1HH2 ARG 62 14.987 -3.390 3.963 411 HH22 ARG 62 2HH2 ARG 62 13.887 -3.495 5.295 412 H THR 63 H THR 63 11.270 1.918 -1.185 413 HA THR 63 HA THR 63 8.854 3.160 -2.137 414 HB THR 63 HB THR 63 10.210 4.342 -3.689 415 HG1 THR 63 1HG THR 63 12.399 3.694 -4.071 416 HG21 THR 63 3HG2 THR 63 10.515 4.894 -1.256 417 HG22 THR 63 1HG2 THR 63 11.861 5.362 -2.294 418 HG23 THR 63 2HG2 THR 63 11.984 3.921 -1.286 419 H LEU 64 H LEU 64 8.710 3.184 -4.709 420 HA LEU 64 HA LEU 64 7.856 0.574 -5.442 421 HB3 LEU 64 2HB LEU 64 7.029 1.533 -7.389 422 HG LEU 64 HG LEU 64 7.193 3.990 -5.651 423 HD11 LEU 64 1HD1 LEU 64 6.332 4.678 -7.686 424 HD12 LEU 64 2HD1 LEU 64 4.880 4.279 -6.770 425 HD13 LEU 64 3HD1 LEU 64 5.503 3.147 -7.970 426 HD21 LEU 64 3HD2 LEU 64 6.307 2.404 -4.201 427 HD22 LEU 64 1HD2 LEU 64 5.460 1.552 -5.492 428 HD23 LEU 64 2HD2 LEU 64 4.872 3.120 -4.938 429 H SER 65 H SER 65 10.696 2.513 -6.155 430 HA SER 65 HA SER 65 11.717 0.851 -8.218 431 HB3 SER 65 2HB SER 65 13.212 2.743 -6.386 432 HG SER 65 HG SER 65 14.741 1.666 -7.473 433 H GLU 66 H GLU 66 11.981 0.838 -4.728 434 HA GLU 66 HA GLU 66 14.114 -1.065 -4.614 435 HB3 GLU 66 2HB GLU 66 13.384 -1.258 -2.190 436 HG3 GLU 66 2HG GLU 66 13.650 1.641 -2.753 437 H TYR 67 H TYR 67 10.603 -1.227 -4.535 438 HA TYR 67 HA TYR 67 10.622 -4.085 -4.030 439 HB3 TYR 67 2HB TYR 67 8.028 -3.431 -4.684 440 HD1 TYR 67 2HD TYR 67 10.471 -2.939 -1.915 441 HD2 TYR 67 1HD TYR 67 6.610 -4.313 -3.059 442 HE1 TYR 67 2HE TYR 67 10.132 -3.849 0.345 443 HE2 TYR 67 1HE TYR 67 6.260 -5.225 -0.802 444 HH TYR 67 HH TYR 67 7.128 -5.538 1.213 445 H ASN 68 H ASN 68 11.014 -2.126 -6.688 446 HA ASN 68 HA ASN 68 10.939 -2.441 -8.940 447 HB3 ASN 68 2HB ASN 68 11.177 -4.848 -9.699 448 HD21 ASN 68 1HD2 ASN 68 13.129 -6.140 -7.912 449 HD22 ASN 68 2HD2 ASN 68 14.547 -5.155 -7.989 450 H ILE 69 H ILE 69 8.444 -2.057 -7.628 451 HA ILE 69 HA ILE 69 6.622 -3.754 -9.192 452 HB ILE 69 HB ILE 69 4.838 -2.780 -7.699 453 HG13 ILE 69 2HG1 ILE 69 6.198 -0.803 -6.991 454 HG21 ILE 69 1HG2 ILE 69 5.372 -4.248 -5.817 455 HG22 ILE 69 2HG2 ILE 69 5.740 -5.017 -7.360 456 HG23 ILE 69 3HG2 ILE 69 7.042 -4.353 -6.374 457 HD11 ILE 69 3HD1 ILE 69 5.719 -2.049 -4.393 458 HD12 ILE 69 1HD1 ILE 69 5.075 -0.559 -5.079 459 HD13 ILE 69 2HD1 ILE 69 4.345 -2.110 -5.497 460 H GLN 70 H GLN 70 4.861 -2.781 -10.322 461 HA GLN 70 HA GLN 70 5.571 -0.188 -11.445 462 HB3 GLN 70 2HB GLN 70 4.059 -0.703 -13.227 463 HG3 GLN 70 2HG GLN 70 5.483 -3.224 -12.410 464 HE21 GLN 70 1HE2 GLN 70 4.908 -4.937 -13.516 465 HE22 GLN 70 2HE2 GLN 70 4.229 -4.952 -15.106 466 H LYS 71 H LYS 71 4.700 0.033 -8.848 467 HA LYS 71 HA LYS 71 1.973 0.428 -8.444 468 HB3 LYS 71 2HB LYS 71 4.410 1.669 -7.187 469 HG3 LYS 71 2HG LYS 71 1.590 2.433 -6.795 470 HD3 LYS 71 2HD LYS 71 3.366 1.536 -4.591 471 HE3 LYS 71 2HE LYS 71 2.309 4.210 -4.742 472 HZ1 LYS 71 3HZ LYS 71 1.177 4.269 -2.645 473 HZ2 LYS 71 1HZ LYS 71 1.377 2.604 -2.426 474 HZ3 LYS 71 2HZ LYS 71 0.372 3.180 -3.659 475 H GLU 72 H GLU 72 4.267 2.326 -10.188 476 HA GLU 72 HA GLU 72 2.752 4.765 -10.137 477 HB3 GLU 72 2HB GLU 72 4.849 4.090 -12.182 478 HG3 GLU 72 2HG GLU 72 4.805 6.664 -10.750 479 H SER 73 H SER 73 0.837 3.178 -10.774 480 HA SER 73 HA SER 73 0.137 3.893 -13.467 481 HB3 SER 73 2HB SER 73 0.698 1.026 -12.736 482 HG SER 73 HG SER 73 -0.386 0.781 -14.953 483 H THR 74 H THR 74 -1.017 1.130 -11.588 484 HA THR 74 HA THR 74 -3.431 2.645 -10.872 485 HB THR 74 HB THR 74 -4.005 -0.143 -11.519 486 HG1 THR 74 1HG THR 74 -2.848 -0.093 -13.317 487 HG21 THR 74 3HG2 THR 74 -5.403 2.199 -11.243 488 HG22 THR 74 1HG2 THR 74 -6.032 0.717 -11.963 489 HG23 THR 74 2HG2 THR 74 -5.368 1.985 -12.994 490 H LEU 75 H LEU 75 -3.406 2.656 -8.717 491 HA LEU 75 HA LEU 75 -3.022 0.095 -7.327 492 HB3 LEU 75 2HB LEU 75 -2.178 2.050 -5.541 493 HG LEU 75 HG LEU 75 0.187 1.234 -6.083 494 HD11 LEU 75 1HD1 LEU 75 -2.017 0.005 -4.743 495 HD12 LEU 75 2HD1 LEU 75 -0.302 -0.035 -4.335 496 HD13 LEU 75 3HD1 LEU 75 -0.976 -1.243 -5.430 497 HD21 LEU 75 3HD2 LEU 75 0.459 -0.625 -7.498 498 HD22 LEU 75 1HD2 LEU 75 -0.513 0.522 -8.422 499 HD23 LEU 75 2HD2 LEU 75 -1.282 -0.867 -7.653 500 H HIS 76 H HIS 76 -4.270 -0.229 -5.490 501 HA HIS 76 HA HIS 76 -6.209 1.869 -4.810 502 HB3 HIS 76 2HB HIS 76 -8.049 0.573 -5.185 503 HD1 HIS 76 1HD HIS 76 -7.444 1.562 -7.641 504 HD2 HIS 76 2HD HIS 76 -6.485 -2.419 -6.933 505 HE1 HIS 76 1HE HIS 76 -7.115 0.535 -9.913 506 H LEU 77 H LEU 77 -5.673 2.355 -2.776 507 HA LEU 77 HA LEU 77 -5.472 0.145 -0.847 508 HB3 LEU 77 2HB LEU 77 -3.245 0.825 -1.072 509 HG LEU 77 HG LEU 77 -4.261 3.617 -1.271 510 HD11 LEU 77 1HD1 LEU 77 -2.890 4.155 0.463 511 HD12 LEU 77 2HD1 LEU 77 -1.705 4.160 -0.842 512 HD13 LEU 77 3HD1 LEU 77 -1.842 2.758 0.218 513 HD21 LEU 77 3HD2 LEU 77 -3.136 1.827 -3.020 514 HD22 LEU 77 1HD2 LEU 77 -1.766 2.843 -2.568 515 HD23 LEU 77 2HD2 LEU 77 -3.220 3.575 -3.248 516 H VAL 78 H VAL 78 -7.440 0.350 0.091 517 HA VAL 78 HA VAL 78 -7.881 2.726 1.708 518 HB VAL 78 HB VAL 78 -9.736 1.866 -0.489 519 HG11 VAL 78 1HG1 VAL 78 -11.273 3.631 0.790 520 HG12 VAL 78 2HG1 VAL 78 -11.368 1.895 1.090 521 HG13 VAL 78 3HG1 VAL 78 -10.447 2.929 2.181 522 HG21 VAL 78 3HG2 VAL 78 -8.689 3.679 -1.327 523 HG22 VAL 78 1HG2 VAL 78 -9.853 4.560 -0.339 524 HG23 VAL 78 2HG2 VAL 78 -8.220 4.276 0.264 525 H LEU 79 H LEU 79 -8.747 2.231 3.635 526 HA LEU 79 HA LEU 79 -9.825 -0.488 3.985 527 HB3 LEU 79 2HB LEU 79 -8.530 1.236 6.089 528 HG LEU 79 HG LEU 79 -9.968 -0.640 6.939 529 HD11 LEU 79 1HD1 LEU 79 -8.988 -2.918 6.739 530 HD12 LEU 79 2HD1 LEU 79 -7.894 -2.290 5.508 531 HD13 LEU 79 3HD1 LEU 79 -9.635 -2.279 5.227 532 HD21 LEU 79 3HD2 LEU 79 -7.623 -1.653 8.031 533 HD22 LEU 79 1HD2 LEU 79 -8.588 -0.315 8.653 534 HD23 LEU 79 2HD2 LEU 79 -7.224 0.006 7.581 535 H ARG 80 H ARG 80 -11.972 -0.402 4.096 536 HA ARG 80 HA ARG 80 -14.087 0.421 4.461 537 HB3 ARG 80 2HB ARG 80 -12.866 0.822 7.196 538 HG3 ARG 80 2HG ARG 80 -15.635 -0.127 6.918 539 HD3 ARG 80 2HD ARG 80 -15.920 1.437 8.835 540 HE ARG 80 HE ARG 80 -14.175 -0.846 8.933 541 HH11 ARG 80 1HH1 ARG 80 -15.703 1.678 10.781 542 HH12 ARG 80 2HH1 ARG 80 -15.634 0.805 12.275 543 HH21 ARG 80 1HH2 ARG 80 -14.080 -2.006 10.895 544 HH22 ARG 80 2HH2 ARG 80 -14.710 -1.291 12.339 545 H LEU 81 H LEU 81 -13.608 2.305 3.057 546 HA LEU 81 HA LEU 81 -12.741 4.782 3.886 547 HB3 LEU 81 2HB LEU 81 -13.358 4.057 1.557 548 HG LEU 81 HG LEU 81 -15.493 4.332 0.652 549 HD11 LEU 81 1HD1 LEU 81 -15.208 2.248 1.951 550 HD12 LEU 81 2HD1 LEU 81 -16.887 2.776 1.846 551 HD13 LEU 81 3HD1 LEU 81 -15.972 3.037 3.331 552 HD21 LEU 81 3HD2 LEU 81 -15.824 6.364 2.386 553 HD22 LEU 81 1HD2 LEU 81 -16.872 5.153 3.126 554 HD23 LEU 81 2HD2 LEU 81 -17.141 5.649 1.455 555 H ARG 82 H ARG 82 -14.145 6.785 4.116 556 HA ARG 82 HA ARG 82 -16.544 6.245 5.722 557 HB3 ARG 82 2HB ARG 82 -14.731 8.457 6.564 558 HG3 ARG 82 2HG ARG 82 -16.279 6.506 8.244 559 HD3 ARG 82 2HD ARG 82 -16.217 8.608 9.753 560 HE ARG 82 HE ARG 82 -14.351 6.512 9.539 561 HH11 ARG 82 1HH1 ARG 82 -14.719 9.667 10.966 562 HH12 ARG 82 2HH1 ARG 82 -13.641 9.340 12.282 563 HH21 ARG 82 1HH2 ARG 82 -12.930 6.070 11.267 564 HH22 ARG 82 2HH2 ARG 82 -12.623 7.294 12.453 565 H GLY 83 H GLY 83 -14.607 8.954 4.425 566 HA2 GLY 83 2HA GLY 83 -15.658 10.178 2.523 567 HA3 GLY 83 3HA GLY 83 -17.141 10.137 3.466 568 H TYR 84 H TYR 84 -14.730 12.104 2.526 569 HA TYR 84 HA TYR 84 -15.416 14.164 4.331 570 HB3 TYR 84 2HB TYR 84 -12.560 13.329 4.705 571 HD1 TYR 84 1HD TYR 84 -15.575 14.466 6.615 572 HD2 TYR 84 2HD TYR 84 -11.446 15.040 5.759 573 HE1 TYR 84 1HE TYR 84 -15.517 16.358 8.187 574 HE2 TYR 84 2HE TYR 84 -11.377 16.932 7.330 575 HH TYR 84 HH TYR 84 -14.288 17.968 9.087 576 H ALA 85 H ALA 85 -14.138 16.148 3.954 577 HA ALA 85 HA ALA 85 -12.318 16.246 1.742 578 HB1 ALA 85 1HB ALA 85 -14.654 17.906 1.106 579 HB2 ALA 85 2HB ALA 85 -13.621 16.943 0.050 580 HB3 ALA 85 3HB ALA 85 -14.915 16.168 0.962 581 H ASP 86 H ASP 86 -11.537 18.426 1.322 582 HA ASP 86 HA ASP 86 -12.339 20.666 2.831 583 HB3 ASP 86 2HB ASP 86 -11.427 19.336 4.706 584 H LEU 87 H LEU 87 -11.487 22.472 1.960 585 HA LEU 87 HA LEU 87 -9.946 22.308 -0.392 586 HB3 LEU 87 2HB LEU 87 -9.729 24.833 -0.036 587 HG LEU 87 HG LEU 87 -11.662 23.692 -1.311 588 HD11 LEU 87 1HD1 LEU 87 -13.092 22.832 0.263 589 HD12 LEU 87 2HD1 LEU 87 -13.861 24.381 -0.077 590 HD13 LEU 87 3HD1 LEU 87 -12.869 24.188 1.368 591 HD21 LEU 87 3HD2 LEU 87 -12.970 25.983 -1.086 592 HD22 LEU 87 1HD2 LEU 87 -11.406 25.879 -1.896 593 HD23 LEU 87 2HD2 LEU 87 -11.500 26.452 -0.230 594 H ARG 88 H ARG 88 -7.941 21.460 -0.245 595 HA ARG 88 HA ARG 88 -5.846 23.047 0.820 596 HB3 ARG 88 2HB ARG 88 -6.204 20.399 2.218 597 HG3 ARG 88 2HG ARG 88 -4.359 22.722 2.565 598 HD3 ARG 88 2HD ARG 88 -4.590 20.633 4.677 599 HE ARG 88 HE ARG 88 -3.175 23.076 4.413 600 HH11 ARG 88 1HH1 ARG 88 -4.812 21.073 6.742 601 HH12 ARG 88 2HH1 ARG 88 -3.876 21.641 8.084 602 HH21 ARG 88 1HH2 ARG 88 -1.934 23.832 6.172 603 HH22 ARG 88 2HH2 ARG 88 -2.240 23.212 7.759 604 H GLU 89 H GLU 89 -3.907 22.520 -0.087 605 HA GLU 89 HA GLU 89 -3.900 20.798 -2.324 606 HB3 GLU 89 2HB GLU 89 -2.446 22.746 -2.217 607 HG3 GLU 89 2HG GLU 89 -0.751 21.310 -0.200 608 H ASP 90 H ASP 90 -2.802 20.413 0.992 609 HA ASP 90 HA ASP 90 -2.997 17.621 0.962 610 HB3 ASP 90 2HB ASP 90 -0.210 17.749 1.366 611 HA PRO 91 HA PRO 91 -2.751 18.224 5.299 612 HB3 PRO 91 2HB PRO 91 -3.383 16.028 5.542 613 HG3 PRO 91 2HG PRO 91 -2.582 14.384 4.107 614 HD3 PRO 91 2HD PRO 91 -3.295 15.942 2.565 615 H ASP 92 H ASP 92 0.192 16.972 3.786 616 HA ASP 92 HA ASP 92 1.853 18.908 4.988 617 HB3 ASP 92 2HB ASP 92 1.821 17.841 7.047 618 H ARG 93 H ARG 93 3.110 19.238 3.277 619 HA ARG 93 HA ARG 93 4.354 16.895 1.995 620 HB3 ARG 93 2HB ARG 93 2.682 17.926 0.519 621 HG3 ARG 93 2HG ARG 93 4.222 20.408 1.093 622 HD3 ARG 93 2HD ARG 93 2.606 20.020 -1.417 623 HE ARG 93 HE ARG 93 3.513 22.341 -0.200 624 HH11 ARG 93 1HH1 ARG 93 3.771 20.777 -3.299 625 HH12 ARG 93 2HH1 ARG 93 3.934 22.259 -4.181 626 HH21 ARG 93 1HH2 ARG 93 3.727 24.300 -1.349 627 HH22 ARG 93 2HH2 ARG 93 3.910 24.263 -3.070 628 H GLN 94 H GLN 94 6.186 18.060 0.405 629 HA GLN 94 HA GLN 94 7.857 19.626 2.259 630 HB3 GLN 94 2HB GLN 94 8.852 17.483 2.150 631 HG3 GLN 94 2HG GLN 94 9.587 16.797 -0.342 632 HE21 GLN 94 1HE2 GLN 94 6.818 15.777 -1.107 633 HE22 GLN 94 2HE2 GLN 94 6.546 14.472 -0.008 634 H ASP 95 H ASP 95 9.876 20.445 0.790 635 HA ASP 95 HA ASP 95 8.661 22.330 -1.025 636 HB3 ASP 95 2HB ASP 95 11.607 21.992 -0.460 637 H HIS 96 H HIS 96 9.498 22.724 -3.195 638 HA HIS 96 HA HIS 96 10.379 20.236 -4.508 639 HB3 HIS 96 2HB HIS 96 9.152 21.213 -6.543 640 HD1 HIS 96 1HD HIS 96 8.508 18.694 -6.372 641 HD2 HIS 96 2HD HIS 96 6.406 21.192 -3.804 642 HE1 HIS 96 1HE HIS 96 6.571 17.324 -5.538 643 H HIS 97 H HIS 97 11.059 20.981 -6.938 644 HA HIS 97 HA HIS 97 12.427 23.414 -7.240 645 HB3 HIS 97 2HB HIS 97 13.970 22.699 -5.568 646 HD1 HIS 97 1HD HIS 97 15.776 20.260 -7.537 647 HD2 HIS 97 2HD HIS 97 12.898 20.147 -4.544 648 HE1 HIS 97 1HE HIS 97 15.852 17.920 -6.619 649 HA PRO 98 HA PRO 98 11.766 20.762 -10.997 650 HB3 PRO 98 2HB PRO 98 9.632 21.564 -11.281 651 HG3 PRO 98 2HG PRO 98 8.985 23.604 -10.370 652 HD3 PRO 98 2HD PRO 98 9.938 22.624 -8.513 653 H GLY 99 H GLY 99 12.024 21.790 -13.415 654 HA2 GLY 99 2HA GLY 99 14.343 23.603 -13.374 655 HA3 GLY 99 3HA GLY 99 14.465 22.060 -14.207 656 H SER 100 H SER 100 14.806 22.958 -16.227 657 HA SER 100 HA SER 100 12.444 23.690 -17.663 658 HB3 SER 100 2HB SER 100 12.958 25.876 -16.690 659 HG SER 100 HG SER 100 15.040 26.793 -17.639 660 H GLY 101 H GLY 101 12.873 23.985 -19.990 661 HA2 GLY 101 2HA GLY 101 15.309 22.509 -20.773 662 HA3 GLY 101 3HA GLY 101 13.777 22.417 -21.629 663 H ALA 102 H ALA 102 14.847 22.972 -23.578 664 HA ALA 102 HA ALA 102 14.779 25.727 -24.189 665 HB1 ALA 102 1HB ALA 102 17.570 24.768 -24.506 666 HB2 ALA 102 2HB ALA 102 16.954 26.400 -24.244 667 HB3 ALA 102 3HB ALA 102 17.048 25.265 -22.897 668 H GLN 103 H GLN 103 15.428 26.164 -26.448 669 HA GLN 103 HA GLN 103 15.074 23.750 -28.090 670 HB3 GLN 103 2HB GLN 103 13.315 25.542 -28.207 671 HG3 GLN 103 2HG GLN 103 15.103 27.121 -29.969 672 HE21 GLN 103 1HE2 GLN 103 13.467 28.278 -27.141 673 HE22 GLN 103 2HE2 GLN 103 12.162 29.058 -27.961 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -14.237 23.879 -5.779 2 HA2 GLY 1 2HA GLY 1 -13.617 21.805 -4.278 3 HA3 GLY 1 3HA GLY 1 -12.390 23.017 -4.615 4 H SER 2 H SER 2 -14.007 21.362 -2.213 5 HA SER 2 HA SER 2 -14.117 23.314 -0.165 6 HB3 SER 2 2HB SER 2 -15.388 21.528 0.471 7 HG SER 2 HG SER 2 -14.253 19.295 0.080 8 H LEU 3 H LEU 3 -11.560 21.371 -1.461 9 HA LEU 3 HA LEU 3 -9.712 22.572 0.480 10 HB3 LEU 3 2HB LEU 3 -9.735 20.440 1.328 11 HG LEU 3 HG LEU 3 -9.618 18.346 -0.055 12 HD11 LEU 3 1HD1 LEU 3 -12.205 19.291 -0.859 13 HD12 LEU 3 2HD1 LEU 3 -11.811 19.888 0.753 14 HD13 LEU 3 3HD1 LEU 3 -11.775 18.157 0.421 15 HD21 LEU 3 3HD2 LEU 3 -10.002 18.335 -2.321 16 HD22 LEU 3 1HD2 LEU 3 -9.046 19.807 -2.149 17 HD23 LEU 3 2HD2 LEU 3 -10.800 19.909 -2.304 18 H VAL 4 H VAL 4 -7.484 22.696 -0.279 19 HA VAL 4 HA VAL 4 -7.401 23.219 -3.153 20 HB VAL 4 HB VAL 4 -5.201 24.309 -2.627 21 HG11 VAL 4 1HG1 VAL 4 -6.259 26.241 -1.387 22 HG12 VAL 4 2HG1 VAL 4 -7.087 25.722 -2.857 23 HG13 VAL 4 3HG1 VAL 4 -7.718 25.256 -1.277 24 HG21 VAL 4 3HG2 VAL 4 -4.870 22.955 -0.516 25 HG22 VAL 4 1HG2 VAL 4 -4.518 24.678 -0.394 26 HG23 VAL 4 2HG2 VAL 4 -6.029 24.039 0.253 27 HA PRO 5 HA PRO 5 -4.921 19.742 -4.172 28 HB3 PRO 5 2HB PRO 5 -5.093 20.414 -6.363 29 HG3 PRO 5 2HG PRO 5 -5.068 22.669 -6.931 30 HD3 PRO 5 2HD PRO 5 -6.664 22.696 -5.269 31 H ARG 6 H ARG 6 -3.325 18.911 -2.992 32 HA ARG 6 HA ARG 6 -1.015 20.617 -2.337 33 HB3 ARG 6 2HB ARG 6 -1.581 18.102 -0.837 34 HG3 ARG 6 2HG ARG 6 0.377 19.682 -0.390 35 HD3 ARG 6 2HD ARG 6 -1.587 21.228 1.238 36 HE ARG 6 HE ARG 6 1.150 21.407 0.895 37 HH11 ARG 6 1HH1 ARG 6 -1.608 23.517 0.637 38 HH12 ARG 6 2HH1 ARG 6 -0.720 24.943 1.063 39 HH21 ARG 6 1HH2 ARG 6 2.328 23.278 1.457 40 HH22 ARG 6 2HH2 ARG 6 1.518 24.806 1.528 41 H GLY 7 H GLY 7 -0.921 19.526 -4.809 42 HA2 GLY 7 2HA GLY 7 1.484 18.340 -5.074 43 HA3 GLY 7 3HA GLY 7 0.436 16.969 -4.741 44 H SER 8 H SER 8 1.973 17.601 -7.152 45 HA SER 8 HA SER 8 -0.174 18.068 -9.100 46 HB3 SER 8 2HB SER 8 1.685 18.350 -10.740 47 HG SER 8 HG SER 8 1.377 20.320 -10.076 48 H MET 9 H MET 9 0.292 15.551 -7.587 49 HA MET 9 HA MET 9 0.823 13.753 -9.860 50 HB3 MET 9 2HB MET 9 1.810 12.225 -8.461 51 HG3 MET 9 2HG MET 9 3.195 13.265 -6.767 52 HE1 MET 9 3HE MET 9 3.967 12.206 -9.013 53 HE2 MET 9 1HE MET 9 3.132 12.914 -10.395 54 HE3 MET 9 2HE MET 9 4.869 13.150 -10.200 55 H GLN 10 H GLN 10 -0.753 12.419 -10.524 56 HA GLN 10 HA GLN 10 -3.115 12.083 -8.804 57 HB3 GLN 10 2HB GLN 10 -4.577 12.314 -10.738 58 HG3 GLN 10 2HG GLN 10 -2.679 14.566 -10.239 59 HE21 GLN 10 1HE2 GLN 10 -2.337 15.970 -11.789 60 HE22 GLN 10 2HE2 GLN 10 -3.431 16.378 -13.062 61 H ILE 11 H ILE 11 -4.085 10.091 -8.842 62 HA ILE 11 HA ILE 11 -3.173 8.093 -10.757 63 HB ILE 11 HB ILE 11 -1.781 8.171 -8.488 64 HG13 ILE 11 2HG1 ILE 11 -2.767 5.605 -9.756 65 HG21 ILE 11 1HG2 ILE 11 -4.004 7.874 -7.236 66 HG22 ILE 11 2HG2 ILE 11 -3.902 6.190 -7.744 67 HG23 ILE 11 3HG2 ILE 11 -2.631 6.886 -6.739 68 HD11 ILE 11 3HD1 ILE 11 -0.757 7.607 -10.638 69 HD12 ILE 11 1HD1 ILE 11 -0.437 5.895 -10.912 70 HD13 ILE 11 2HD1 ILE 11 -1.886 6.640 -11.587 71 H PHE 12 H PHE 12 -4.384 5.999 -10.454 72 HA PHE 12 HA PHE 12 -7.159 6.606 -9.688 73 HB3 PHE 12 2HB PHE 12 -6.876 4.197 -11.258 74 HD1 PHE 12 2HD PHE 12 -7.646 7.822 -11.729 75 HD2 PHE 12 1HD PHE 12 -8.988 3.794 -12.028 76 HE1 PHE 12 2HE PHE 12 -9.831 8.614 -12.534 77 HE2 PHE 12 1HE PHE 12 -11.176 4.579 -12.835 78 HZ PHE 12 HZ PHE 12 -11.600 6.993 -13.088 79 H VAL 13 H VAL 13 -7.839 5.721 -7.864 80 HA VAL 13 HA VAL 13 -6.944 3.014 -7.169 81 HB VAL 13 HB VAL 13 -5.577 4.059 -5.665 82 HG11 VAL 13 1HG1 VAL 13 -7.479 6.308 -5.944 83 HG12 VAL 13 2HG1 VAL 13 -6.581 6.204 -4.429 84 HG13 VAL 13 3HG1 VAL 13 -5.716 6.303 -5.964 85 HG21 VAL 13 3HG2 VAL 13 -8.082 4.312 -4.030 86 HG22 VAL 13 1HG2 VAL 13 -7.447 2.741 -4.514 87 HG23 VAL 13 2HG2 VAL 13 -6.470 3.816 -3.514 88 H LYS 14 H LYS 14 -8.660 1.759 -6.925 89 HA LYS 14 HA LYS 14 -11.249 2.965 -6.302 90 HB3 LYS 14 2HB LYS 14 -12.105 0.649 -6.891 91 HG3 LYS 14 2HG LYS 14 -11.435 0.832 -9.365 92 HD3 LYS 14 2HD LYS 14 -12.947 2.826 -7.743 93 HE3 LYS 14 2HE LYS 14 -11.894 4.108 -9.592 94 HZ1 LYS 14 3HZ LYS 14 -13.288 2.089 -11.251 95 HZ2 LYS 14 1HZ LYS 14 -11.660 2.546 -11.311 96 HZ3 LYS 14 2HZ LYS 14 -12.858 3.612 -11.849 97 H THR 15 H THR 15 -12.247 2.717 -4.403 98 HA THR 15 HA THR 15 -10.868 1.428 -2.239 99 HB THR 15 HB THR 15 -12.628 2.253 -0.813 100 HG1 THR 15 1HG THR 15 -13.996 2.866 -3.240 101 HG21 THR 15 3HG2 THR 15 -12.721 4.670 -2.261 102 HG22 THR 15 1HG2 THR 15 -11.169 3.922 -2.629 103 HG23 THR 15 2HG2 THR 15 -11.621 4.235 -0.954 104 H LEU 16 H LEU 16 -12.593 0.240 -0.647 105 HA LEU 16 HA LEU 16 -13.141 -2.243 -1.974 106 HB3 LEU 16 2HB LEU 16 -13.511 -3.139 0.130 107 HG LEU 16 HG LEU 16 -11.806 -0.760 0.864 108 HD11 LEU 16 1HD1 LEU 16 -12.678 -2.085 2.758 109 HD12 LEU 16 2HD1 LEU 16 -10.925 -2.185 2.595 110 HD13 LEU 16 3HD1 LEU 16 -11.938 -3.525 2.057 111 HD21 LEU 16 3HD2 LEU 16 -11.206 -3.301 -0.593 112 HD22 LEU 16 1HD2 LEU 16 -9.978 -2.553 0.429 113 HD23 LEU 16 2HD2 LEU 16 -10.659 -1.657 -0.930 114 H THR 17 H THR 17 -14.954 0.566 -1.120 115 HA THR 17 HA THR 17 -17.510 -0.798 -1.492 116 HB THR 17 HB THR 17 -17.306 0.817 0.365 117 HG1 THR 17 1HG THR 17 -19.373 0.643 -0.334 118 HG21 THR 17 3HG2 THR 17 -17.137 2.959 -1.747 119 HG22 THR 17 1HG2 THR 17 -15.730 2.348 -0.879 120 HG23 THR 17 2HG2 THR 17 -17.029 3.152 0.003 121 H GLY 18 H GLY 18 -15.472 1.651 -3.004 122 HA2 GLY 18 2HA GLY 18 -15.755 1.368 -5.563 123 HA3 GLY 18 3HA GLY 18 -17.400 1.877 -5.214 124 H LYS 19 H LYS 19 -15.787 3.518 -2.996 125 HA LYS 19 HA LYS 19 -16.021 6.004 -4.284 126 HB3 LYS 19 2HB LYS 19 -14.280 6.510 -2.237 127 HG3 LYS 19 2HG LYS 19 -16.424 7.588 -2.400 128 HD3 LYS 19 2HD LYS 19 -17.555 4.923 -1.548 129 HE3 LYS 19 2HE LYS 19 -18.512 7.208 -0.619 130 HZ1 LYS 19 3HZ LYS 19 -20.283 7.050 -2.915 131 HZ2 LYS 19 1HZ LYS 19 -18.785 7.781 -3.198 132 HZ3 LYS 19 2HZ LYS 19 -19.810 8.392 -2.001 133 H THR 20 H THR 20 -14.437 7.476 -4.994 134 HA THR 20 HA THR 20 -11.867 6.234 -5.736 135 HB THR 20 HB THR 20 -12.167 8.284 -7.535 136 HG1 THR 20 1HG THR 20 -14.358 8.574 -6.921 137 HG21 THR 20 3HG2 THR 20 -12.453 6.574 -9.180 138 HG22 THR 20 1HG2 THR 20 -13.141 5.465 -7.994 139 HG23 THR 20 2HG2 THR 20 -11.436 5.908 -7.904 140 H ILE 21 H ILE 21 -10.053 7.267 -5.159 141 HA ILE 21 HA ILE 21 -10.239 10.077 -4.314 142 HB ILE 21 HB ILE 21 -8.581 9.525 -2.489 143 HG13 ILE 21 2HG1 ILE 21 -8.112 7.351 -1.870 144 HG21 ILE 21 1HG2 ILE 21 -10.349 8.635 -0.956 145 HG22 ILE 21 2HG2 ILE 21 -10.833 10.039 -1.906 146 HG23 ILE 21 3HG2 ILE 21 -11.382 8.429 -2.370 147 HD11 ILE 21 3HD1 ILE 21 -10.753 6.667 -3.043 148 HD12 ILE 21 1HD1 ILE 21 -9.514 5.417 -2.950 149 HD13 ILE 21 2HD1 ILE 21 -10.059 6.231 -1.482 150 H THR 22 H THR 22 -8.559 11.355 -4.898 151 HA THR 22 HA THR 22 -6.703 10.318 -6.830 152 HB THR 22 HB THR 22 -6.091 13.006 -5.918 153 HG1 THR 22 1HG THR 22 -8.670 12.774 -7.039 154 HG21 THR 22 3HG2 THR 22 -5.396 12.749 -8.053 155 HG22 THR 22 1HG2 THR 22 -7.040 13.249 -8.443 156 HG23 THR 22 2HG2 THR 22 -6.623 11.537 -8.416 157 H LEU 23 H LEU 23 -4.776 9.482 -6.404 158 HA LEU 23 HA LEU 23 -3.433 10.250 -3.895 159 HB3 LEU 23 2HB LEU 23 -2.304 7.861 -4.564 160 HG LEU 23 HG LEU 23 -3.360 8.559 -2.324 161 HD11 LEU 23 1HD1 LEU 23 -5.709 7.901 -3.870 162 HD12 LEU 23 2HD1 LEU 23 -5.578 8.673 -2.290 163 HD13 LEU 23 3HD1 LEU 23 -5.597 6.914 -2.412 164 HD21 LEU 23 3HD2 LEU 23 -3.680 5.689 -3.186 165 HD22 LEU 23 1HD2 LEU 23 -3.367 6.295 -1.559 166 HD23 LEU 23 2HD2 LEU 23 -2.129 6.442 -2.808 167 H GLU 24 H GLU 24 -1.065 10.121 -3.946 168 HA GLU 24 HA GLU 24 -0.056 11.064 -6.528 169 HB3 GLU 24 2HB GLU 24 0.708 11.500 -3.689 170 HG3 GLU 24 2HG GLU 24 2.677 11.564 -5.954 171 H VAL 25 H VAL 25 1.878 10.262 -7.427 172 HA VAL 25 HA VAL 25 2.754 7.652 -6.380 173 HB VAL 25 HB VAL 25 2.599 8.292 -9.321 174 HG11 VAL 25 1HG1 VAL 25 3.893 6.468 -9.376 175 HG12 VAL 25 2HG1 VAL 25 3.529 6.049 -7.701 176 HG13 VAL 25 3HG1 VAL 25 2.420 5.578 -8.990 177 HG21 VAL 25 3HG2 VAL 25 0.634 6.465 -8.931 178 HG22 VAL 25 1HG2 VAL 25 0.484 7.439 -7.468 179 HG23 VAL 25 2HG2 VAL 25 0.365 8.204 -9.053 180 H GLU 26 H GLU 26 4.933 7.067 -6.829 181 HA GLU 26 HA GLU 26 6.786 8.573 -8.251 182 HB3 GLU 26 2HB GLU 26 7.600 9.233 -5.568 183 HG3 GLU 26 2HG GLU 26 7.821 10.340 -8.097 184 HA PRO 27 HA PRO 27 8.974 4.868 -7.268 185 HB3 PRO 27 2HB PRO 27 9.962 5.097 -9.330 186 HG3 PRO 27 2HG PRO 27 10.417 7.199 -10.215 187 HD3 PRO 27 2HD PRO 27 8.210 7.490 -9.618 188 H SER 28 H SER 28 10.054 8.034 -6.279 189 HA SER 28 HA SER 28 11.945 6.871 -4.366 190 HB3 SER 28 2HB SER 28 12.851 8.708 -5.640 191 HG SER 28 HG SER 28 11.763 10.835 -5.241 192 H ASP 29 H ASP 29 8.774 8.037 -4.551 193 HA ASP 29 HA ASP 29 8.676 8.661 -1.686 194 HB3 ASP 29 2HB ASP 29 6.465 9.619 -2.148 195 H THR 30 H THR 30 8.058 7.124 -0.334 196 HA THR 30 HA THR 30 6.829 4.698 -1.314 197 HB THR 30 HB THR 30 8.612 4.691 0.447 198 HG1 THR 30 1HG THR 30 7.730 2.915 1.318 199 HG21 THR 30 3HG2 THR 30 6.910 6.561 1.680 200 HG22 THR 30 1HG2 THR 30 8.411 5.890 2.315 201 HG23 THR 30 2HG2 THR 30 6.871 5.118 2.691 202 H ILE 31 H ILE 31 5.034 3.749 0.160 203 HA ILE 31 HA ILE 31 2.684 5.132 -0.252 204 HB ILE 31 HB ILE 31 3.423 2.884 1.568 205 HG13 ILE 31 2HG1 ILE 31 1.385 3.198 -0.647 206 HG21 ILE 31 1HG2 ILE 31 1.916 4.022 2.988 207 HG22 ILE 31 2HG2 ILE 31 0.838 4.414 1.651 208 HG23 ILE 31 3HG2 ILE 31 0.980 2.747 2.208 209 HD11 ILE 31 3HD1 ILE 31 2.922 1.542 -1.805 210 HD12 ILE 31 1HD1 ILE 31 3.451 3.224 -1.736 211 HD13 ILE 31 2HD1 ILE 31 4.144 2.035 -0.633 212 H GLU 32 H GLU 32 4.902 5.321 2.445 213 HA GLU 32 HA GLU 32 3.293 6.551 4.352 214 HB3 GLU 32 2HB GLU 32 6.129 7.431 4.019 215 HG3 GLU 32 2HG GLU 32 4.372 6.686 6.323 216 H ASN 33 H ASN 33 5.284 8.045 1.813 217 HA ASN 33 HA ASN 33 4.515 10.707 2.455 218 HB3 ASN 33 2HB ASN 33 5.499 9.847 -0.255 219 HD21 ASN 33 1HD2 ASN 33 5.087 11.679 -1.315 220 HD22 ASN 33 2HD2 ASN 33 5.617 13.248 -0.823 221 H VAL 34 H VAL 34 3.527 8.453 -0.112 222 HA VAL 34 HA VAL 34 1.707 10.097 -1.424 223 HB VAL 34 HB VAL 34 1.649 7.101 -1.056 224 HG11 VAL 34 1HG1 VAL 34 0.180 7.132 -3.084 225 HG12 VAL 34 2HG1 VAL 34 -0.572 7.771 -1.621 226 HG13 VAL 34 3HG1 VAL 34 0.016 8.874 -2.865 227 HG21 VAL 34 3HG2 VAL 34 2.873 8.953 -3.055 228 HG22 VAL 34 1HG2 VAL 34 3.569 7.544 -2.257 229 HG23 VAL 34 2HG2 VAL 34 2.385 7.332 -3.546 230 H LYS 35 H LYS 35 1.350 8.205 1.507 231 HA LYS 35 HA LYS 35 -1.399 8.145 1.791 232 HB3 LYS 35 2HB LYS 35 0.828 8.347 3.804 233 HG3 LYS 35 2HG LYS 35 -1.193 7.397 5.295 234 HD3 LYS 35 2HD LYS 35 -0.739 10.360 5.064 235 HE3 LYS 35 2HE LYS 35 -0.943 8.613 7.506 236 HZ1 LYS 35 3HZ LYS 35 0.003 10.748 7.935 237 HZ2 LYS 35 1HZ LYS 35 -1.586 10.760 8.516 238 HZ3 LYS 35 2HZ LYS 35 -1.211 11.535 7.061 239 H ALA 36 H ALA 36 0.795 10.820 2.138 240 HA ALA 36 HA ALA 36 -0.835 12.554 3.640 241 HB1 ALA 36 1HB ALA 36 0.588 14.349 2.757 242 HB2 ALA 36 2HB ALA 36 1.535 12.972 3.321 243 HB3 ALA 36 3HB ALA 36 1.279 13.217 1.593 244 H LYS 37 H LYS 37 -0.775 11.738 0.242 245 HA LYS 37 HA LYS 37 -2.430 13.912 -0.607 246 HB3 LYS 37 2HB LYS 37 -2.729 12.077 -2.577 247 HG3 LYS 37 2HG LYS 37 -0.059 13.099 -2.805 248 HD3 LYS 37 2HD LYS 37 -1.989 12.674 -4.518 249 HE3 LYS 37 2HE LYS 37 -3.488 14.341 -3.354 250 HZ1 LYS 37 3HZ LYS 37 -1.840 16.363 -4.758 251 HZ2 LYS 37 1HZ LYS 37 -1.674 16.040 -3.106 252 HZ3 LYS 37 2HZ LYS 37 -3.141 16.627 -3.709 253 H ILE 38 H ILE 38 -3.005 10.440 -0.070 254 HA ILE 38 HA ILE 38 -5.790 10.567 -0.590 255 HB ILE 38 HB ILE 38 -4.337 8.485 -0.618 256 HG13 ILE 38 2HG1 ILE 38 -6.204 7.172 -0.425 257 HG21 ILE 38 1HG2 ILE 38 -3.240 8.764 1.519 258 HG22 ILE 38 2HG2 ILE 38 -4.788 8.678 2.357 259 HG23 ILE 38 3HG2 ILE 38 -4.161 7.260 1.517 260 HD11 ILE 38 3HD1 ILE 38 -6.760 8.607 2.137 261 HD12 ILE 38 1HD1 ILE 38 -8.007 7.657 1.331 262 HD13 ILE 38 2HD1 ILE 38 -6.511 6.885 1.855 263 H GLN 39 H GLN 39 -3.845 11.038 2.275 264 HA GLN 39 HA GLN 39 -5.688 10.731 4.297 265 HB3 GLN 39 2HB GLN 39 -3.432 12.706 3.989 266 HG3 GLN 39 2HG GLN 39 -5.448 12.604 6.077 267 HE21 GLN 39 1HE2 GLN 39 -4.757 10.711 7.270 268 HE22 GLN 39 2HE2 GLN 39 -3.481 10.859 8.425 269 H ASP 40 H ASP 40 -5.204 13.521 2.182 270 HA ASP 40 HA ASP 40 -7.213 15.103 3.485 271 HB3 ASP 40 2HB ASP 40 -6.913 16.420 1.202 272 H LYS 41 H LYS 41 -7.136 12.780 0.921 273 HA LYS 41 HA LYS 41 -9.599 13.541 -0.311 274 HB3 LYS 41 2HB LYS 41 -9.439 11.346 -1.444 275 HG3 LYS 41 2HG LYS 41 -7.338 11.645 -2.610 276 HD3 LYS 41 2HD LYS 41 -8.643 14.269 -1.881 277 HE3 LYS 41 2HE LYS 41 -6.780 13.482 -4.106 278 HZ1 LYS 41 3HZ LYS 41 -8.598 15.826 -3.993 279 HZ2 LYS 41 1HZ LYS 41 -8.620 14.587 -5.145 280 HZ3 LYS 41 2HZ LYS 41 -7.313 15.659 -5.081 281 H GLU 42 H GLU 42 -8.708 10.805 1.799 282 HA GLU 42 HA GLU 42 -11.505 10.740 2.718 283 HB3 GLU 42 2HB GLU 42 -10.901 8.195 3.091 284 HG3 GLU 42 2HG GLU 42 -11.453 7.869 0.509 285 H GLY 43 H GLY 43 -8.110 10.223 3.477 286 HA2 GLY 43 2HA GLY 43 -7.110 10.800 5.530 287 HA3 GLY 43 3HA GLY 43 -8.699 10.788 6.282 288 H ILE 44 H ILE 44 -7.633 8.155 4.267 289 HA ILE 44 HA ILE 44 -8.076 6.258 6.343 290 HB ILE 44 HB ILE 44 -6.935 6.016 3.569 291 HG13 ILE 44 2HG1 ILE 44 -9.009 4.754 3.164 292 HG21 ILE 44 1HG2 ILE 44 -7.045 3.546 3.919 293 HG22 ILE 44 2HG2 ILE 44 -5.777 4.357 4.837 294 HG23 ILE 44 3HG2 ILE 44 -7.264 3.856 5.642 295 HD11 ILE 44 3HD1 ILE 44 -10.021 5.613 5.842 296 HD12 ILE 44 1HD1 ILE 44 -10.715 4.458 4.707 297 HD13 ILE 44 2HD1 ILE 44 -9.260 4.040 5.610 298 HA PRO 45 HA PRO 45 -4.075 6.427 8.236 299 HB3 PRO 45 2HB PRO 45 -5.134 5.738 10.154 300 HG3 PRO 45 2HG PRO 45 -6.987 4.337 10.064 301 HD3 PRO 45 2HD PRO 45 -7.630 5.944 8.542 302 HA PRO 46 HA PRO 46 -1.843 3.710 5.491 303 HB3 PRO 46 2HB PRO 46 -0.351 5.440 5.246 304 HG3 PRO 46 2HG PRO 46 0.029 6.951 6.973 305 HD3 PRO 46 2HD PRO 46 -2.274 6.994 6.906 306 H ASP 47 H ASP 47 -1.562 3.816 8.965 307 HA ASP 47 HA ASP 47 0.200 1.662 9.352 308 HB3 ASP 47 2HB ASP 47 -1.152 1.492 11.597 309 H GLN 48 H GLN 48 -3.307 1.785 8.966 310 HA GLN 48 HA GLN 48 -3.368 -1.155 8.968 311 HB3 GLN 48 2HB GLN 48 -5.741 -0.994 9.447 312 HG3 GLN 48 2HG GLN 48 -3.915 -0.500 11.291 313 HE21 GLN 48 1HE2 GLN 48 -3.126 0.991 12.647 314 HE22 GLN 48 2HE2 GLN 48 -3.568 2.660 12.644 315 H GLN 49 H GLN 49 -3.333 1.459 6.918 316 HA GLN 49 HA GLN 49 -5.226 0.981 4.977 317 HB3 GLN 49 2HB GLN 49 -2.383 1.955 4.723 318 HG3 GLN 49 2HG GLN 49 -3.574 3.050 2.593 319 HE21 GLN 49 1HE2 GLN 49 -1.483 3.169 1.962 320 HE22 GLN 49 2HE2 GLN 49 -0.562 1.817 1.405 321 H ARG 50 H ARG 50 -5.323 -0.256 3.102 322 HA ARG 50 HA ARG 50 -3.447 -2.527 3.006 323 HB3 ARG 50 2HB ARG 50 -5.571 -3.366 3.693 324 HG3 ARG 50 2HG ARG 50 -6.839 -2.069 1.294 325 HD3 ARG 50 2HD ARG 50 -8.928 -2.728 2.422 326 HE ARG 50 HE ARG 50 -7.214 -4.557 1.175 327 HH11 ARG 50 1HH1 ARG 50 -9.996 -4.516 3.268 328 HH12 ARG 50 2HH1 ARG 50 -10.600 -6.042 2.710 329 HH21 ARG 50 1HH2 ARG 50 -8.000 -6.566 0.433 330 HH22 ARG 50 2HH2 ARG 50 -9.464 -7.207 1.098 331 H LEU 51 H LEU 51 -2.196 -2.497 1.269 332 HA LEU 51 HA LEU 51 -3.028 -0.982 -1.086 333 HB3 LEU 51 2HB LEU 51 -0.376 -2.304 -0.547 334 HG LEU 51 HG LEU 51 -1.227 -0.246 -2.551 335 HD11 LEU 51 1HD1 LEU 51 0.505 0.960 -1.605 336 HD12 LEU 51 2HD1 LEU 51 1.329 0.032 -2.858 337 HD13 LEU 51 3HD1 LEU 51 1.417 -0.488 -1.176 338 HD21 LEU 51 3HD2 LEU 51 0.298 -2.827 -2.570 339 HD22 LEU 51 1HD2 LEU 51 0.452 -1.666 -3.889 340 HD23 LEU 51 2HD2 LEU 51 -1.122 -2.366 -3.509 341 H ILE 52 H ILE 52 -3.756 -1.924 -2.874 342 HA ILE 52 HA ILE 52 -3.339 -4.824 -3.192 343 HB ILE 52 HB ILE 52 -5.709 -3.097 -3.789 344 HG13 ILE 52 2HG1 ILE 52 -5.344 -5.837 -2.557 345 HG21 ILE 52 1HG2 ILE 52 -5.405 -4.065 -5.910 346 HG22 ILE 52 2HG2 ILE 52 -4.928 -5.617 -5.224 347 HG23 ILE 52 3HG2 ILE 52 -6.603 -5.079 -5.107 348 HD11 ILE 52 3HD1 ILE 52 -5.489 -3.143 -1.420 349 HD12 ILE 52 1HD1 ILE 52 -6.581 -4.319 -0.689 350 HD13 ILE 52 2HD1 ILE 52 -4.847 -4.637 -0.737 351 H PHE 53 H PHE 53 -2.022 -5.339 -4.797 352 HA PHE 53 HA PHE 53 -1.989 -3.633 -7.198 353 HB3 PHE 53 2HB PHE 53 0.326 -4.882 -5.726 354 HD1 PHE 53 2HD PHE 53 -0.615 -3.274 -8.945 355 HD2 PHE 53 1HD PHE 53 2.304 -5.476 -6.763 356 HE1 PHE 53 2HE PHE 53 0.716 -3.537 -10.998 357 HE2 PHE 53 1HE PHE 53 3.639 -5.742 -8.813 358 HZ PHE 53 HZ PHE 53 2.846 -4.773 -10.934 359 H ALA 54 H ALA 54 -2.677 -4.694 -8.924 360 HA ALA 54 HA ALA 54 -3.171 -6.359 -10.394 361 HB1 ALA 54 1HB ALA 54 -0.990 -8.096 -9.378 362 HB2 ALA 54 2HB ALA 54 -1.432 -7.681 -11.035 363 HB3 ALA 54 3HB ALA 54 -0.549 -6.523 -10.040 364 H GLY 55 H GLY 55 -4.391 -6.408 -7.750 365 HA2 GLY 55 2HA GLY 55 -5.990 -7.781 -6.789 366 HA3 GLY 55 3HA GLY 55 -5.502 -9.062 -7.887 367 H LYS 56 H LYS 56 -3.220 -7.393 -5.836 368 HA LYS 56 HA LYS 56 -3.158 -9.682 -4.000 369 HB3 LYS 56 2HB LYS 56 -0.647 -8.467 -5.151 370 HG3 LYS 56 2HG LYS 56 -0.375 -9.671 -3.028 371 HD3 LYS 56 2HD LYS 56 -1.623 -11.921 -4.592 372 HE3 LYS 56 2HE LYS 56 -0.056 -12.062 -2.017 373 HZ1 LYS 56 3HZ LYS 56 -1.604 -13.660 -1.651 374 HZ2 LYS 56 1HZ LYS 56 -0.543 -14.567 -2.607 375 HZ3 LYS 56 2HZ LYS 56 -1.936 -13.898 -3.292 376 H GLN 57 H GLN 57 -2.981 -9.112 -1.921 377 HA GLN 57 HA GLN 57 -2.837 -6.312 -1.252 378 HB3 GLN 57 2HB GLN 57 -4.363 -8.026 -0.151 379 HG3 GLN 57 2HG GLN 57 -2.318 -8.596 1.864 380 HE21 GLN 57 1HE2 GLN 57 -4.134 -10.499 -0.507 381 HE22 GLN 57 2HE2 GLN 57 -5.135 -11.305 0.646 382 H LEU 58 H LEU 58 -1.224 -5.256 -0.174 383 HA LEU 58 HA LEU 58 1.155 -6.769 0.614 384 HB3 LEU 58 2HB LEU 58 2.637 -5.224 -0.518 385 HG LEU 58 HG LEU 58 1.290 -7.138 -1.899 386 HD11 LEU 58 1HD1 LEU 58 -0.271 -5.230 -2.633 387 HD12 LEU 58 2HD1 LEU 58 0.353 -6.327 -3.864 388 HD13 LEU 58 3HD1 LEU 58 1.070 -4.727 -3.663 389 HD21 LEU 58 3HD2 LEU 58 3.606 -6.885 -2.161 390 HD22 LEU 58 1HD2 LEU 58 3.449 -5.224 -2.732 391 HD23 LEU 58 2HD2 LEU 58 2.935 -6.562 -3.760 392 H GLU 59 H GLU 59 2.817 -4.785 1.359 393 HA GLU 59 HA GLU 59 1.255 -3.145 3.240 394 HB3 GLU 59 2HB GLU 59 2.125 -4.833 4.621 395 HG3 GLU 59 2HG GLU 59 4.597 -4.639 2.959 396 H ASP 60 H ASP 60 3.078 -1.611 4.380 397 HA ASP 60 HA ASP 60 4.487 -0.304 2.144 398 HB3 ASP 60 2HB ASP 60 2.757 0.810 4.300 399 H GLY 61 H GLY 61 6.489 0.684 2.586 400 HA2 GLY 61 2HA GLY 61 7.803 1.083 4.924 401 HA3 GLY 61 3HA GLY 61 7.992 -0.645 4.662 402 H ARG 62 H ARG 62 7.963 -0.101 1.679 403 HA ARG 62 HA ARG 62 10.659 1.053 1.438 404 HB3 ARG 62 2HB ARG 62 10.909 -0.731 -0.451 405 HG3 ARG 62 2HG ARG 62 11.585 -2.502 1.252 406 HD3 ARG 62 2HD ARG 62 12.811 0.136 1.923 407 HE ARG 62 HE ARG 62 13.693 -2.518 2.077 408 HH11 ARG 62 1HH1 ARG 62 14.813 0.604 1.016 409 HH12 ARG 62 2HH1 ARG 62 16.482 0.254 1.321 410 HH21 ARG 62 1HH2 ARG 62 15.887 -2.991 2.482 411 HH22 ARG 62 2HH2 ARG 62 17.092 -1.790 2.154 412 H THR 63 H THR 63 11.200 1.705 -0.800 413 HA THR 63 HA THR 63 9.019 3.193 -1.936 414 HB THR 63 HB THR 63 10.649 4.149 -3.443 415 HG1 THR 63 1HG THR 63 12.909 3.295 -3.136 416 HG21 THR 63 3HG2 THR 63 10.605 4.787 -0.969 417 HG22 THR 63 1HG2 THR 63 12.043 5.235 -1.885 418 HG23 THR 63 2HG2 THR 63 12.079 3.833 -0.815 419 H LEU 64 H LEU 64 8.942 3.241 -4.456 420 HA LEU 64 HA LEU 64 8.024 0.673 -5.291 421 HB3 LEU 64 2HB LEU 64 7.210 1.723 -7.187 422 HG LEU 64 HG LEU 64 7.453 4.131 -5.390 423 HD11 LEU 64 1HD1 LEU 64 5.563 3.357 -7.599 424 HD12 LEU 64 2HD1 LEU 64 6.637 4.754 -7.528 425 HD13 LEU 64 3HD1 LEU 64 5.241 4.660 -6.455 426 HD21 LEU 64 3HD2 LEU 64 5.385 1.936 -5.365 427 HD22 LEU 64 1HD2 LEU 64 5.338 3.416 -4.407 428 HD23 LEU 64 2HD2 LEU 64 6.605 2.223 -4.124 429 H SER 65 H SER 65 10.791 2.711 -6.158 430 HA SER 65 HA SER 65 11.821 0.989 -8.150 431 HB3 SER 65 2HB SER 65 13.460 2.890 -6.469 432 HG SER 65 HG SER 65 13.989 2.974 -9.060 433 H GLU 66 H GLU 66 12.196 1.131 -4.674 434 HA GLU 66 HA GLU 66 14.398 -0.696 -4.564 435 HB3 GLU 66 2HB GLU 66 13.661 -0.817 -2.088 436 HG3 GLU 66 2HG GLU 66 14.367 1.579 -1.652 437 H TYR 67 H TYR 67 10.897 -0.952 -4.187 438 HA TYR 67 HA TYR 67 11.040 -3.787 -3.620 439 HB3 TYR 67 2HB TYR 67 8.400 -2.746 -4.298 440 HD1 TYR 67 1HD TYR 67 9.363 -5.461 -3.688 441 HD2 TYR 67 2HD TYR 67 8.094 -2.351 -1.077 442 HE1 TYR 67 1HE TYR 67 8.727 -7.141 -2.008 443 HE2 TYR 67 2HE TYR 67 7.455 -4.023 0.611 444 HH TYR 67 HH TYR 67 8.398 -6.705 0.996 445 H ASN 68 H ASN 68 11.225 -1.938 -6.364 446 HA ASN 68 HA ASN 68 10.947 -2.316 -8.594 447 HB3 ASN 68 2HB ASN 68 11.081 -5.259 -7.996 448 HD21 ASN 68 1HD2 ASN 68 13.146 -2.928 -9.657 449 HD22 ASN 68 2HD2 ASN 68 12.976 -3.629 -11.227 450 H ILE 69 H ILE 69 8.558 -1.832 -7.463 451 HA ILE 69 HA ILE 69 6.740 -3.885 -8.528 452 HB ILE 69 HB ILE 69 4.980 -2.635 -7.205 453 HG13 ILE 69 2HG1 ILE 69 6.228 -0.534 -6.928 454 HG21 ILE 69 1HG2 ILE 69 5.270 -4.332 -5.809 455 HG22 ILE 69 2HG2 ILE 69 6.920 -4.533 -6.395 456 HG23 ILE 69 3HG2 ILE 69 6.595 -3.473 -5.025 457 HD11 ILE 69 3HD1 ILE 69 6.164 -1.340 -4.117 458 HD12 ILE 69 1HD1 ILE 69 5.346 -0.015 -4.944 459 HD13 ILE 69 2HD1 ILE 69 4.675 -1.645 -5.010 460 H GLN 70 H GLN 70 4.819 -3.155 -9.661 461 HA GLN 70 HA GLN 70 5.441 -0.931 -11.436 462 HB3 GLN 70 2HB GLN 70 3.803 -1.813 -12.909 463 HG3 GLN 70 2HG GLN 70 5.051 -4.186 -11.541 464 HE21 GLN 70 1HE2 GLN 70 5.466 -5.941 -13.075 465 HE22 GLN 70 2HE2 GLN 70 4.286 -6.270 -14.293 466 H LYS 71 H LYS 71 4.891 0.026 -8.965 467 HA LYS 71 HA LYS 71 2.086 0.786 -8.849 468 HB3 LYS 71 2HB LYS 71 4.316 1.700 -7.032 469 HG3 LYS 71 2HG LYS 71 1.814 1.200 -5.745 470 HD3 LYS 71 2HD LYS 71 3.583 3.595 -6.169 471 HE3 LYS 71 2HE LYS 71 2.162 4.495 -4.192 472 HZ1 LYS 71 3HZ LYS 71 1.624 5.939 -5.761 473 HZ2 LYS 71 1HZ LYS 71 0.396 4.910 -6.305 474 HZ3 LYS 71 2HZ LYS 71 1.945 4.808 -6.977 475 H GLU 72 H GLU 72 2.923 1.768 -11.137 476 HA GLU 72 HA GLU 72 3.035 4.646 -10.641 477 HB3 GLU 72 2HB GLU 72 5.348 4.094 -11.032 478 HG3 GLU 72 2HG GLU 72 4.793 3.061 -13.767 479 H SER 73 H SER 73 0.967 2.761 -11.502 480 HA SER 73 HA SER 73 0.172 4.166 -13.931 481 HB3 SER 73 2HB SER 73 0.606 1.208 -13.719 482 HG SER 73 HG SER 73 -0.767 1.138 -15.679 483 H THR 74 H THR 74 -1.115 1.256 -12.366 484 HA THR 74 HA THR 74 -3.406 2.825 -11.408 485 HB THR 74 HB THR 74 -4.053 0.113 -12.383 486 HG1 THR 74 1HG THR 74 -2.609 1.255 -14.004 487 HG21 THR 74 3HG2 THR 74 -5.595 2.443 -13.278 488 HG22 THR 74 1HG2 THR 74 -5.473 2.282 -11.527 489 HG23 THR 74 2HG2 THR 74 -6.135 0.961 -12.490 490 H LEU 75 H LEU 75 -3.251 2.637 -9.262 491 HA LEU 75 HA LEU 75 -3.054 -0.067 -8.133 492 HB3 LEU 75 2HB LEU 75 -1.892 1.891 -6.373 493 HG LEU 75 HG LEU 75 0.159 0.457 -6.553 494 HD11 LEU 75 1HD1 LEU 75 -2.516 -0.432 -5.656 495 HD12 LEU 75 2HD1 LEU 75 -1.031 -0.188 -4.738 496 HD13 LEU 75 3HD1 LEU 75 -1.239 -1.648 -5.704 497 HD21 LEU 75 3HD2 LEU 75 -0.967 -0.369 -8.924 498 HD22 LEU 75 1HD2 LEU 75 -1.275 -1.726 -7.840 499 HD23 LEU 75 2HD2 LEU 75 0.374 -1.151 -8.087 500 H HIS 76 H HIS 76 -4.327 -0.470 -6.368 501 HA HIS 76 HA HIS 76 -6.030 1.750 -5.443 502 HB3 HIS 76 2HB HIS 76 -7.927 0.509 -5.667 503 HD1 HIS 76 1HD HIS 76 -6.682 1.424 -8.186 504 HD2 HIS 76 2HD HIS 76 -7.367 -2.603 -7.428 505 HE1 HIS 76 1HE HIS 76 -6.744 0.316 -10.443 506 H LEU 77 H LEU 77 -5.352 2.249 -3.457 507 HA LEU 77 HA LEU 77 -5.012 0.054 -1.528 508 HB3 LEU 77 2HB LEU 77 -2.813 0.783 -1.969 509 HG LEU 77 HG LEU 77 -3.829 3.293 -2.613 510 HD11 LEU 77 1HD1 LEU 77 -1.996 4.497 -1.027 511 HD12 LEU 77 2HD1 LEU 77 -2.649 3.288 0.077 512 HD13 LEU 77 3HD1 LEU 77 -3.726 4.452 -0.692 513 HD21 LEU 77 3HD2 LEU 77 -1.721 1.834 -3.297 514 HD22 LEU 77 1HD2 LEU 77 -0.910 2.952 -2.200 515 HD23 LEU 77 2HD2 LEU 77 -1.794 3.571 -3.595 516 H VAL 78 H VAL 78 -6.970 0.276 -0.535 517 HA VAL 78 HA VAL 78 -7.295 2.642 1.132 518 HB VAL 78 HB VAL 78 -9.743 1.710 -0.301 519 HG11 VAL 78 1HG1 VAL 78 -9.858 4.419 -0.061 520 HG12 VAL 78 2HG1 VAL 78 -10.482 3.275 1.129 521 HG13 VAL 78 3HG1 VAL 78 -8.879 3.982 1.338 522 HG21 VAL 78 3HG2 VAL 78 -7.667 3.570 -1.445 523 HG22 VAL 78 1HG2 VAL 78 -8.282 2.076 -2.150 524 HG23 VAL 78 2HG2 VAL 78 -9.332 3.487 -2.020 525 H LEU 79 H LEU 79 -8.121 2.177 3.096 526 HA LEU 79 HA LEU 79 -9.109 -0.566 3.522 527 HB3 LEU 79 2HB LEU 79 -7.618 1.268 5.394 528 HG LEU 79 HG LEU 79 -9.333 -0.395 6.463 529 HD11 LEU 79 1HD1 LEU 79 -8.330 -2.599 6.887 530 HD12 LEU 79 2HD1 LEU 79 -7.035 -2.214 5.755 531 HD13 LEU 79 3HD1 LEU 79 -8.696 -2.346 5.180 532 HD21 LEU 79 3HD2 LEU 79 -6.661 0.492 7.197 533 HD22 LEU 79 1HD2 LEU 79 -7.145 -0.986 8.029 534 HD23 LEU 79 2HD2 LEU 79 -8.147 0.461 8.149 535 H ARG 80 H ARG 80 -11.249 -0.548 3.720 536 HA ARG 80 HA ARG 80 -13.375 0.241 4.125 537 HB3 ARG 80 2HB ARG 80 -12.260 0.832 6.859 538 HG3 ARG 80 2HG ARG 80 -14.709 -0.760 6.459 539 HD3 ARG 80 2HD ARG 80 -15.404 0.896 8.313 540 HE ARG 80 HE ARG 80 -14.000 -1.483 8.517 541 HH11 ARG 80 1HH1 ARG 80 -14.455 1.413 10.396 542 HH12 ARG 80 2HH1 ARG 80 -14.230 0.616 11.918 543 HH21 ARG 80 1HH2 ARG 80 -13.700 -2.542 10.515 544 HH22 ARG 80 2HH2 ARG 80 -13.799 -1.633 11.986 545 H LEU 81 H LEU 81 -13.185 2.121 2.747 546 HA LEU 81 HA LEU 81 -12.263 4.620 3.456 547 HB3 LEU 81 2HB LEU 81 -13.143 3.862 1.220 548 HG LEU 81 HG LEU 81 -15.380 4.126 0.578 549 HD11 LEU 81 1HD1 LEU 81 -14.889 2.035 1.821 550 HD12 LEU 81 2HD1 LEU 81 -16.581 2.523 1.897 551 HD13 LEU 81 3HD1 LEU 81 -15.522 2.799 3.279 552 HD21 LEU 81 3HD2 LEU 81 -15.529 6.137 2.349 553 HD22 LEU 81 1HD2 LEU 81 -16.439 4.902 3.220 554 HD23 LEU 81 2HD2 LEU 81 -16.944 5.393 1.603 555 H ARG 82 H ARG 82 -13.639 6.595 3.872 556 HA ARG 82 HA ARG 82 -16.125 6.485 5.134 557 HB3 ARG 82 2HB ARG 82 -14.517 7.119 7.409 558 HG3 ARG 82 2HG ARG 82 -15.867 4.551 7.523 559 HD3 ARG 82 2HD ARG 82 -15.295 6.646 9.216 560 HE ARG 82 HE ARG 82 -17.684 7.433 8.205 561 HH11 ARG 82 1HH1 ARG 82 -16.655 6.240 11.310 562 HH12 ARG 82 2HH1 ARG 82 -17.854 7.125 12.193 563 HH21 ARG 82 1HH2 ARG 82 -19.267 8.604 9.356 564 HH22 ARG 82 2HH2 ARG 82 -19.340 8.469 11.082 565 H GLY 83 H GLY 83 -16.871 8.470 4.813 566 HA2 GLY 83 2HA GLY 83 -16.966 10.789 5.051 567 HA3 GLY 83 3HA GLY 83 -15.297 10.777 5.601 568 H TYR 84 H TYR 84 -16.107 12.721 3.879 569 HA TYR 84 HA TYR 84 -15.009 11.879 1.278 570 HB3 TYR 84 2HB TYR 84 -17.184 12.699 0.889 571 HD1 TYR 84 1HD TYR 84 -15.624 15.705 2.475 572 HD2 TYR 84 2HD TYR 84 -19.019 13.153 2.213 573 HE1 TYR 84 1HE TYR 84 -16.839 17.172 4.032 574 HE2 TYR 84 2HE TYR 84 -20.243 14.613 3.769 575 HH TYR 84 HH TYR 84 -19.381 17.674 4.483 576 H ALA 85 H ALA 85 -14.110 14.002 0.112 577 HA ALA 85 HA ALA 85 -11.691 14.626 1.354 578 HB1 ALA 85 1HB ALA 85 -13.066 16.239 -0.789 579 HB2 ALA 85 2HB ALA 85 -11.341 16.210 -0.423 580 HB3 ALA 85 3HB ALA 85 -12.127 14.775 -1.080 581 H ASP 86 H ASP 86 -11.217 15.941 2.978 582 HA ASP 86 HA ASP 86 -12.413 18.527 3.256 583 HB3 ASP 86 2HB ASP 86 -12.884 16.660 5.571 584 H LEU 87 H LEU 87 -11.340 19.843 4.791 585 HA LEU 87 HA LEU 87 -8.607 19.082 5.228 586 HB3 LEU 87 2HB LEU 87 -8.416 21.335 6.254 587 HG LEU 87 HG LEU 87 -8.384 20.987 3.681 588 HD11 LEU 87 1HD1 LEU 87 -10.674 20.838 3.171 589 HD12 LEU 87 2HD1 LEU 87 -10.172 22.434 2.616 590 HD13 LEU 87 3HD1 LEU 87 -11.064 22.267 4.128 591 HD21 LEU 87 3HD2 LEU 87 -9.031 23.793 4.438 592 HD22 LEU 87 1HD2 LEU 87 -7.710 23.163 3.453 593 HD23 LEU 87 2HD2 LEU 87 -7.656 23.001 5.208 594 H ARG 88 H ARG 88 -8.156 17.691 6.814 595 HA ARG 88 HA ARG 88 -9.388 18.156 9.451 596 HB3 ARG 88 2HB ARG 88 -8.315 15.490 8.578 597 HG3 ARG 88 2HG ARG 88 -10.309 14.803 10.088 598 HD3 ARG 88 2HD ARG 88 -7.837 16.050 11.285 599 HE ARG 88 HE ARG 88 -8.881 13.734 12.570 600 HH11 ARG 88 1HH1 ARG 88 -9.256 17.185 12.309 601 HH12 ARG 88 2HH1 ARG 88 -9.936 17.362 13.894 602 HH21 ARG 88 1HH2 ARG 88 -9.775 13.953 14.657 603 HH22 ARG 88 2HH2 ARG 88 -10.230 15.523 15.228 604 H GLU 89 H GLU 89 -6.594 16.352 8.157 605 HA GLU 89 HA GLU 89 -4.989 17.373 10.387 606 HB3 GLU 89 2HB GLU 89 -3.427 15.583 9.876 607 HG3 GLU 89 2HG GLU 89 -6.130 14.309 9.657 608 H ASP 90 H ASP 90 -4.964 17.088 6.858 609 HA ASP 90 HA ASP 90 -3.876 18.263 5.242 610 HB3 ASP 90 2HB ASP 90 -3.372 20.559 5.628 611 HA PRO 91 HA PRO 91 0.144 16.563 6.830 612 HB3 PRO 91 2HB PRO 91 -0.443 14.420 6.243 613 HG3 PRO 91 2HG PRO 91 -2.061 14.023 4.621 614 HD3 PRO 91 2HD PRO 91 -3.191 15.530 5.948 615 H ASP 92 H ASP 92 0.800 18.784 6.225 616 HA ASP 92 HA ASP 92 2.737 18.743 4.160 617 HB3 ASP 92 2HB ASP 92 1.104 19.109 2.539 618 H ARG 93 H ARG 93 4.239 20.332 4.442 619 HA ARG 93 HA ARG 93 3.630 22.378 6.474 620 HB3 ARG 93 2HB ARG 93 5.115 20.749 7.448 621 HG3 ARG 93 2HG ARG 93 6.047 20.052 5.113 622 HD3 ARG 93 2HD ARG 93 7.835 22.301 5.964 623 HE ARG 93 HE ARG 93 9.591 20.921 5.473 624 HH11 ARG 93 1HH1 ARG 93 6.994 20.284 3.244 625 HH12 ARG 93 2HH1 ARG 93 7.931 19.214 2.255 626 HH21 ARG 93 1HH2 ARG 93 10.835 19.516 4.179 627 HH22 ARG 93 2HH2 ARG 93 10.116 18.777 2.789 628 H GLN 94 H GLN 94 5.738 23.989 6.365 629 HA GLN 94 HA GLN 94 5.314 25.569 4.112 630 HB3 GLN 94 2HB GLN 94 6.217 26.542 6.112 631 HG3 GLN 94 2HG GLN 94 8.809 25.100 5.665 632 HE21 GLN 94 1HE2 GLN 94 8.159 24.932 8.773 633 HE22 GLN 94 2HE2 GLN 94 8.842 26.413 9.345 634 H ASP 95 H ASP 95 5.753 25.053 2.077 635 HA ASP 95 HA ASP 95 8.438 24.313 1.322 636 HB3 ASP 95 2HB ASP 95 7.169 22.152 1.896 637 H HIS 96 H HIS 96 8.400 23.859 -1.199 638 HA HIS 96 HA HIS 96 6.376 25.139 -2.725 639 HB3 HIS 96 2HB HIS 96 7.187 27.213 -1.926 640 HD1 HIS 96 1HD HIS 96 8.848 26.626 0.117 641 HD2 HIS 96 2HD HIS 96 10.616 27.189 -3.601 642 HE1 HIS 96 1HE HIS 96 11.289 27.018 0.584 643 H HIS 97 H HIS 97 7.478 25.759 -5.013 644 HA HIS 97 HA HIS 97 9.436 23.688 -5.702 645 HB3 HIS 97 2HB HIS 97 6.897 24.162 -7.277 646 HD1 HIS 97 1HD HIS 97 8.084 24.026 -9.555 647 HD2 HIS 97 2HD HIS 97 8.823 20.775 -7.076 648 HE1 HIS 97 1HE HIS 97 9.166 22.294 -11.023 649 HA PRO 98 HA PRO 98 11.257 27.062 -7.894 650 HB3 PRO 98 2HB PRO 98 13.247 25.943 -7.636 651 HG3 PRO 98 2HG PRO 98 13.325 23.619 -7.635 652 HD3 PRO 98 2HD PRO 98 11.637 23.959 -6.105 653 H GLY 99 H GLY 99 12.148 27.202 -10.378 654 HA2 GLY 99 2HA GLY 99 11.039 26.013 -12.526 655 HA3 GLY 99 3HA GLY 99 9.725 27.032 -11.956 656 H SER 100 H SER 100 11.778 26.966 -14.317 657 HA SER 100 HA SER 100 11.747 29.736 -14.815 658 HB3 SER 100 2HB SER 100 14.544 28.752 -14.287 659 HG SER 100 HG SER 100 15.039 30.784 -14.639 660 H GLY 101 H GLY 101 12.681 30.292 -16.870 661 HA2 GLY 101 2HA GLY 101 14.081 28.487 -18.511 662 HA3 GLY 101 3HA GLY 101 12.362 28.309 -18.828 663 H ALA 102 H ALA 102 14.651 29.368 -20.460 664 HA ALA 102 HA ALA 102 13.253 31.399 -21.806 665 HB1 ALA 102 1HB ALA 102 14.856 33.286 -21.331 666 HB2 ALA 102 2HB ALA 102 13.749 32.873 -20.020 667 HB3 ALA 102 3HB ALA 102 15.429 32.341 -19.955 668 H GLN 103 H GLN 103 15.059 32.740 -23.193 669 HA GLN 103 HA GLN 103 16.347 30.697 -24.746 670 HB3 GLN 103 2HB GLN 103 16.215 33.700 -25.008 671 HG3 GLN 103 2HG GLN 103 17.790 31.736 -26.570 672 HE21 GLN 103 1HE2 GLN 103 16.578 31.232 -28.362 673 HE22 GLN 103 2HE2 GLN 103 16.171 32.392 -29.576 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -13.729 13.577 -11.293 2 HA2 GLY 1 2HA GLY 1 -15.368 15.818 -11.539 3 HA3 GLY 1 3HA GLY 1 -16.422 14.448 -11.215 4 H SER 2 H SER 2 -13.332 15.756 -10.001 5 HA SER 2 HA SER 2 -14.323 16.161 -7.378 6 HB3 SER 2 2HB SER 2 -14.144 13.615 -7.518 7 HG SER 2 HG SER 2 -12.147 12.732 -7.517 8 H LEU 3 H LEU 3 -12.679 16.954 -5.911 9 HA LEU 3 HA LEU 3 -10.772 18.591 -7.214 10 HB3 LEU 3 2HB LEU 3 -9.958 18.931 -4.792 11 HG LEU 3 HG LEU 3 -11.775 20.350 -4.122 12 HD11 LEU 3 1HD1 LEU 3 -11.646 21.848 -5.838 13 HD12 LEU 3 2HD1 LEU 3 -11.899 20.622 -7.079 14 HD13 LEU 3 3HD1 LEU 3 -10.330 20.762 -6.286 15 HD21 LEU 3 3HD2 LEU 3 -13.501 19.386 -6.357 16 HD22 LEU 3 1HD2 LEU 3 -13.948 20.214 -4.865 17 HD23 LEU 3 2HD2 LEU 3 -13.491 18.510 -4.825 18 H VAL 4 H VAL 4 -8.484 18.564 -7.038 19 HA VAL 4 HA VAL 4 -7.358 15.888 -6.518 20 HB VAL 4 HB VAL 4 -5.567 16.597 -8.205 21 HG11 VAL 4 1HG1 VAL 4 -6.879 15.789 -10.086 22 HG12 VAL 4 2HG1 VAL 4 -7.256 14.868 -8.629 23 HG13 VAL 4 3HG1 VAL 4 -8.371 16.109 -9.204 24 HG21 VAL 4 3HG2 VAL 4 -7.519 18.265 -9.612 25 HG22 VAL 4 1HG2 VAL 4 -6.875 18.992 -8.140 26 HG23 VAL 4 2HG2 VAL 4 -5.778 18.472 -9.419 27 HA PRO 5 HA PRO 5 -4.520 17.675 -3.686 28 HB3 PRO 5 2HB PRO 5 -3.764 15.546 -3.275 29 HG3 PRO 5 2HG PRO 5 -3.588 13.983 -4.989 30 HD3 PRO 5 2HD PRO 5 -5.743 14.722 -5.343 31 H ARG 6 H ARG 6 -1.939 18.165 -3.678 32 HA ARG 6 HA ARG 6 -1.398 19.734 -6.115 33 HB3 ARG 6 2HB ARG 6 -2.012 21.240 -4.318 34 HG3 ARG 6 2HG ARG 6 0.245 20.033 -2.731 35 HD3 ARG 6 2HD ARG 6 0.065 22.432 -2.390 36 HE ARG 6 HE ARG 6 -2.693 22.104 -2.639 37 HH11 ARG 6 1HH1 ARG 6 -0.418 23.754 -0.583 38 HH12 ARG 6 2HH1 ARG 6 -1.505 25.045 -0.195 39 HH21 ARG 6 1HH2 ARG 6 -4.134 23.799 -2.136 40 HH22 ARG 6 2HH2 ARG 6 -3.619 25.069 -1.079 41 H GLY 7 H GLY 7 -0.524 17.008 -5.218 42 HA2 GLY 7 2HA GLY 7 2.310 17.336 -4.673 43 HA3 GLY 7 3HA GLY 7 1.446 15.814 -4.836 44 H SER 8 H SER 8 0.512 17.604 -7.408 45 HA SER 8 HA SER 8 1.058 17.678 -9.619 46 HB3 SER 8 2HB SER 8 3.879 16.839 -9.056 47 HG SER 8 HG SER 8 3.687 17.427 -11.110 48 H MET 9 H MET 9 0.621 15.100 -7.934 49 HA MET 9 HA MET 9 1.172 13.270 -10.166 50 HB3 MET 9 2HB MET 9 2.308 11.795 -8.904 51 HG3 MET 9 2HG MET 9 2.408 13.751 -6.649 52 HE1 MET 9 3HE MET 9 5.302 13.105 -5.020 53 HE2 MET 9 1HE MET 9 6.168 13.606 -6.471 54 HE3 MET 9 2HE MET 9 4.670 14.417 -6.015 55 H GLN 10 H GLN 10 -0.539 12.109 -10.803 56 HA GLN 10 HA GLN 10 -2.813 11.830 -8.962 57 HB3 GLN 10 2HB GLN 10 -4.369 12.284 -10.788 58 HG3 GLN 10 2HG GLN 10 -2.381 14.330 -10.029 59 HE21 GLN 10 1HE2 GLN 10 -2.539 16.486 -10.771 60 HE22 GLN 10 2HE2 GLN 10 -3.049 16.836 -12.384 61 H ILE 11 H ILE 11 -3.990 9.939 -9.129 62 HA ILE 11 HA ILE 11 -3.309 8.016 -11.204 63 HB ILE 11 HB ILE 11 -1.821 7.832 -8.995 64 HG13 ILE 11 2HG1 ILE 11 -2.279 6.281 -11.185 65 HG21 ILE 11 1HG2 ILE 11 -4.036 7.560 -7.698 66 HG22 ILE 11 2HG2 ILE 11 -4.014 5.911 -8.319 67 HG23 ILE 11 3HG2 ILE 11 -2.689 6.490 -7.309 68 HD11 ILE 11 3HD1 ILE 11 -0.625 5.276 -8.891 69 HD12 ILE 11 1HD1 ILE 11 -0.390 4.987 -10.614 70 HD13 ILE 11 2HD1 ILE 11 -0.120 6.596 -9.946 71 H PHE 12 H PHE 12 -4.587 5.873 -10.683 72 HA PHE 12 HA PHE 12 -7.330 6.711 -10.052 73 HB3 PHE 12 2HB PHE 12 -7.232 4.111 -11.244 74 HD1 PHE 12 2HD PHE 12 -7.525 7.702 -12.214 75 HD2 PHE 12 1HD PHE 12 -9.280 3.825 -12.227 76 HE1 PHE 12 2HE PHE 12 -9.533 8.619 -13.303 77 HE2 PHE 12 1HE PHE 12 -11.290 4.735 -13.316 78 HZ PHE 12 HZ PHE 12 -11.418 7.134 -13.857 79 H VAL 13 H VAL 13 -8.225 6.035 -8.227 80 HA VAL 13 HA VAL 13 -7.327 3.492 -7.054 81 HB VAL 13 HB VAL 13 -7.847 5.995 -5.447 82 HG11 VAL 13 1HG1 VAL 13 -7.770 4.730 -3.610 83 HG12 VAL 13 2HG1 VAL 13 -7.992 3.347 -4.684 84 HG13 VAL 13 3HG1 VAL 13 -6.369 3.831 -4.192 85 HG21 VAL 13 3HG2 VAL 13 -5.794 6.589 -6.131 86 HG22 VAL 13 1HG2 VAL 13 -5.235 5.339 -5.020 87 HG23 VAL 13 2HG2 VAL 13 -5.423 4.974 -6.735 88 H LYS 14 H LYS 14 -8.946 2.178 -6.515 89 HA LYS 14 HA LYS 14 -11.643 3.332 -6.233 90 HB3 LYS 14 2HB LYS 14 -12.466 1.107 -7.098 91 HG3 LYS 14 2HG LYS 14 -11.372 1.557 -9.501 92 HD3 LYS 14 2HD LYS 14 -13.441 3.238 -8.090 93 HE3 LYS 14 2HE LYS 14 -12.337 4.129 -10.291 94 HZ1 LYS 14 3HZ LYS 14 -13.559 1.708 -11.163 95 HZ2 LYS 14 1HZ LYS 14 -12.541 2.762 -12.010 96 HZ3 LYS 14 2HZ LYS 14 -14.208 3.044 -11.974 97 H THR 15 H THR 15 -12.529 3.058 -4.303 98 HA THR 15 HA THR 15 -11.282 1.374 -2.333 99 HB THR 15 HB THR 15 -12.772 2.311 -0.750 100 HG1 THR 15 1HG THR 15 -14.783 2.698 -1.266 101 HG21 THR 15 3HG2 THR 15 -11.269 3.927 -2.441 102 HG22 THR 15 1HG2 THR 15 -11.902 4.367 -0.855 103 HG23 THR 15 2HG2 THR 15 -12.821 4.754 -2.309 104 H LEU 16 H LEU 16 -13.103 0.236 -0.827 105 HA LEU 16 HA LEU 16 -14.011 -1.980 -2.408 106 HB3 LEU 16 2HB LEU 16 -13.160 -2.520 -0.284 107 HG LEU 16 HG LEU 16 -14.274 -0.130 0.683 108 HD11 LEU 16 1HD1 LEU 16 -16.313 -1.481 1.153 109 HD12 LEU 16 2HD1 LEU 16 -15.563 -0.783 2.587 110 HD13 LEU 16 3HD1 LEU 16 -15.338 -2.492 2.219 111 HD21 LEU 16 3HD2 LEU 16 -12.527 -2.312 1.653 112 HD22 LEU 16 1HD2 LEU 16 -13.202 -1.227 2.868 113 HD23 LEU 16 2HD2 LEU 16 -12.229 -0.576 1.550 114 H THR 17 H THR 17 -15.443 0.866 -1.012 115 HA THR 17 HA THR 17 -18.158 -0.076 -1.391 116 HB THR 17 HB THR 17 -17.148 1.683 0.374 117 HG1 THR 17 1HG THR 17 -19.178 1.179 0.808 118 HG21 THR 17 3HG2 THR 17 -16.648 3.291 -1.492 119 HG22 THR 17 1HG2 THR 17 -17.667 3.942 -0.209 120 HG23 THR 17 2HG2 THR 17 -18.387 3.443 -1.740 121 H GLY 18 H GLY 18 -15.803 1.861 -3.076 122 HA2 GLY 18 2HA GLY 18 -16.228 1.880 -5.547 123 HA3 GLY 18 3HA GLY 18 -17.834 2.464 -5.137 124 H LYS 19 H LYS 19 -15.634 3.761 -3.001 125 HA LYS 19 HA LYS 19 -15.899 6.377 -4.144 126 HB3 LYS 19 2HB LYS 19 -14.028 6.607 -2.129 127 HG3 LYS 19 2HG LYS 19 -16.197 6.850 -0.643 128 HD3 LYS 19 2HD LYS 19 -14.612 8.582 -1.938 129 HE3 LYS 19 2HE LYS 19 -15.987 8.409 -4.005 130 HZ1 LYS 19 3HZ LYS 19 -18.178 8.226 -3.456 131 HZ2 LYS 19 1HZ LYS 19 -18.107 9.893 -3.740 132 HZ3 LYS 19 2HZ LYS 19 -18.077 9.303 -2.156 133 H THR 20 H THR 20 -14.215 7.757 -4.828 134 HA THR 20 HA THR 20 -11.782 6.349 -5.717 135 HB THR 20 HB THR 20 -12.547 8.762 -7.224 136 HG1 THR 20 1HG THR 20 -14.216 7.731 -8.337 137 HG21 THR 20 3HG2 THR 20 -11.683 7.562 -9.057 138 HG22 THR 20 1HG2 THR 20 -11.914 6.008 -8.255 139 HG23 THR 20 2HG2 THR 20 -10.656 7.111 -7.696 140 H ILE 21 H ILE 21 -9.871 7.213 -5.170 141 HA ILE 21 HA ILE 21 -9.808 9.985 -4.192 142 HB ILE 21 HB ILE 21 -8.022 9.085 -2.530 143 HG13 ILE 21 2HG1 ILE 21 -8.078 6.853 -1.925 144 HG21 ILE 21 1HG2 ILE 21 -10.007 10.133 -1.750 145 HG22 ILE 21 2HG2 ILE 21 -10.991 8.738 -2.187 146 HG23 ILE 21 3HG2 ILE 21 -9.838 8.622 -0.858 147 HD11 ILE 21 3HD1 ILE 21 -10.194 6.207 -1.417 148 HD12 ILE 21 1HD1 ILE 21 -10.877 6.883 -2.896 149 HD13 ILE 21 2HD1 ILE 21 -9.992 5.359 -2.950 150 H THR 22 H THR 22 -8.045 11.156 -4.769 151 HA THR 22 HA THR 22 -6.367 10.106 -6.842 152 HB THR 22 HB THR 22 -5.534 12.664 -5.677 153 HG1 THR 22 1HG THR 22 -8.060 12.659 -6.948 154 HG21 THR 22 3HG2 THR 22 -6.154 11.509 -8.354 155 HG22 THR 22 1HG2 THR 22 -4.705 12.343 -7.795 156 HG23 THR 22 2HG2 THR 22 -6.163 13.262 -8.169 157 H LEU 23 H LEU 23 -4.540 9.025 -6.557 158 HA LEU 23 HA LEU 23 -3.031 9.445 -4.059 159 HB3 LEU 23 2HB LEU 23 -2.109 7.076 -4.828 160 HG LEU 23 HG LEU 23 -3.901 5.891 -3.545 161 HD11 LEU 23 1HD1 LEU 23 -3.412 7.119 -1.400 162 HD12 LEU 23 2HD1 LEU 23 -2.548 8.309 -2.373 163 HD13 LEU 23 3HD1 LEU 23 -2.003 6.632 -2.342 164 HD21 LEU 23 3HD2 LEU 23 -5.668 7.093 -2.527 165 HD22 LEU 23 1HD2 LEU 23 -5.698 7.521 -4.237 166 HD23 LEU 23 2HD2 LEU 23 -5.018 8.644 -3.060 167 H GLU 24 H GLU 24 -0.871 9.843 -4.168 168 HA GLU 24 HA GLU 24 0.184 10.533 -6.788 169 HB3 GLU 24 2HB GLU 24 0.428 12.100 -4.890 170 HG3 GLU 24 2HG GLU 24 2.165 9.929 -3.749 171 H VAL 25 H VAL 25 2.217 9.794 -7.563 172 HA VAL 25 HA VAL 25 3.280 7.370 -6.300 173 HB VAL 25 HB VAL 25 3.527 6.422 -8.679 174 HG11 VAL 25 1HG1 VAL 25 1.527 5.208 -8.467 175 HG12 VAL 25 2HG1 VAL 25 1.958 5.667 -6.818 176 HG13 VAL 25 3HG1 VAL 25 0.697 6.549 -7.680 177 HG21 VAL 25 3HG2 VAL 25 2.844 8.555 -9.785 178 HG22 VAL 25 1HG2 VAL 25 1.940 7.139 -10.324 179 HG23 VAL 25 2HG2 VAL 25 1.205 8.278 -9.194 180 H GLU 26 H GLU 26 5.460 7.002 -6.633 181 HA GLU 26 HA GLU 26 7.006 8.487 -8.519 182 HB3 GLU 26 2HB GLU 26 8.214 9.254 -6.069 183 HG3 GLU 26 2HG GLU 26 6.899 11.477 -7.221 184 HA PRO 27 HA PRO 27 9.738 5.112 -7.867 185 HB3 PRO 27 2HB PRO 27 10.812 5.777 -9.786 186 HG3 PRO 27 2HG PRO 27 11.065 8.030 -10.300 187 HD3 PRO 27 2HD PRO 27 8.808 7.980 -9.836 188 H SER 28 H SER 28 10.489 8.204 -6.389 189 HA SER 28 HA SER 28 12.186 6.842 -4.408 190 HB3 SER 28 2HB SER 28 12.151 9.753 -4.249 191 HG SER 28 HG SER 28 14.040 9.187 -3.556 192 H ASP 29 H ASP 29 9.086 7.523 -4.757 193 HA ASP 29 HA ASP 29 8.723 8.361 -1.954 194 HB3 ASP 29 2HB ASP 29 6.574 9.304 -2.589 195 H THR 30 H THR 30 7.835 6.927 -0.626 196 HA THR 30 HA THR 30 6.687 4.486 -1.767 197 HB THR 30 HB THR 30 8.503 4.211 -0.125 198 HG1 THR 30 1HG THR 30 7.121 2.871 1.388 199 HG21 THR 30 3HG2 THR 30 6.583 5.651 1.697 200 HG22 THR 30 1HG2 THR 30 8.243 6.094 1.301 201 HG23 THR 30 2HG2 THR 30 7.922 4.672 2.293 202 H ILE 31 H ILE 31 4.871 3.492 -0.439 203 HA ILE 31 HA ILE 31 2.596 5.061 -0.582 204 HB ILE 31 HB ILE 31 3.186 2.537 0.934 205 HG13 ILE 31 2HG1 ILE 31 1.568 3.269 -1.507 206 HG21 ILE 31 1HG2 ILE 31 1.573 3.354 2.361 207 HG22 ILE 31 2HG2 ILE 31 0.752 4.255 1.088 208 HG23 ILE 31 3HG2 ILE 31 0.588 2.501 1.172 209 HD11 ILE 31 3HD1 ILE 31 3.854 2.866 -2.047 210 HD12 ILE 31 1HD1 ILE 31 3.877 1.396 -1.074 211 HD13 ILE 31 2HD1 ILE 31 2.911 1.462 -2.548 212 H GLU 32 H GLU 32 4.898 4.732 2.011 213 HA GLU 32 HA GLU 32 3.468 5.597 4.203 214 HB3 GLU 32 2HB GLU 32 5.575 6.373 5.130 215 HG3 GLU 32 2HG GLU 32 6.971 4.457 4.890 216 H ASN 33 H ASN 33 5.265 7.648 1.904 217 HA ASN 33 HA ASN 33 4.204 10.066 3.028 218 HB3 ASN 33 2HB ASN 33 5.444 11.206 1.295 219 HD21 ASN 33 1HD2 ASN 33 7.707 9.206 0.440 220 HD22 ASN 33 2HD2 ASN 33 8.707 9.172 1.849 221 H VAL 34 H VAL 34 3.614 8.155 0.108 222 HA VAL 34 HA VAL 34 1.867 9.831 -1.229 223 HB VAL 34 HB VAL 34 1.815 6.817 -1.062 224 HG11 VAL 34 1HG1 VAL 34 0.538 6.927 -3.179 225 HG12 VAL 34 2HG1 VAL 34 -0.347 7.589 -1.804 226 HG13 VAL 34 3HG1 VAL 34 0.406 8.673 -2.974 227 HG21 VAL 34 3HG2 VAL 34 3.350 8.791 -2.631 228 HG22 VAL 34 1HG2 VAL 34 3.788 7.164 -2.112 229 HG23 VAL 34 2HG2 VAL 34 2.745 7.391 -3.516 230 H LYS 35 H LYS 35 1.275 7.728 1.517 231 HA LYS 35 HA LYS 35 -1.486 7.627 1.541 232 HB3 LYS 35 2HB LYS 35 -0.260 8.074 4.180 233 HG3 LYS 35 2HG LYS 35 -1.213 5.885 4.677 234 HD3 LYS 35 2HD LYS 35 -3.559 6.433 4.397 235 HE3 LYS 35 2HE LYS 35 -1.930 8.945 4.776 236 HZ1 LYS 35 3HZ LYS 35 -4.386 9.215 4.584 237 HZ2 LYS 35 1HZ LYS 35 -3.743 9.719 6.066 238 HZ3 LYS 35 2HZ LYS 35 -4.557 8.240 5.957 239 H ALA 36 H ALA 36 0.624 10.289 2.267 240 HA ALA 36 HA ALA 36 -1.215 11.887 3.710 241 HB1 ALA 36 1HB ALA 36 0.518 13.273 3.903 242 HB2 ALA 36 2HB ALA 36 1.455 12.074 3.012 243 HB3 ALA 36 3HB ALA 36 0.696 13.416 2.154 244 H LYS 37 H LYS 37 -0.409 11.648 0.273 245 HA LYS 37 HA LYS 37 -1.880 13.809 -0.680 246 HB3 LYS 37 2HB LYS 37 -1.961 11.413 -2.384 247 HG3 LYS 37 2HG LYS 37 -2.120 13.919 -3.038 248 HD3 LYS 37 2HD LYS 37 0.363 14.428 -3.894 249 HE3 LYS 37 2HE LYS 37 -0.350 15.130 -1.065 250 HZ1 LYS 37 3HZ LYS 37 0.402 17.189 -2.921 251 HZ2 LYS 37 1HZ LYS 37 1.601 16.011 -2.725 252 HZ3 LYS 37 2HZ LYS 37 1.010 16.849 -1.380 253 H ILE 38 H ILE 38 -2.899 10.473 -0.063 254 HA ILE 38 HA ILE 38 -5.597 10.962 -0.936 255 HB ILE 38 HB ILE 38 -4.564 8.727 -1.131 256 HG13 ILE 38 2HG1 ILE 38 -6.555 7.637 -0.842 257 HG21 ILE 38 1HG2 ILE 38 -3.232 8.640 0.849 258 HG22 ILE 38 2HG2 ILE 38 -4.653 8.806 1.877 259 HG23 ILE 38 3HG2 ILE 38 -4.413 7.334 0.937 260 HD11 ILE 38 3HD1 ILE 38 -6.707 7.180 1.414 261 HD12 ILE 38 1HD1 ILE 38 -6.649 8.882 1.868 262 HD13 ILE 38 2HD1 ILE 38 -8.107 8.215 1.132 263 H GLN 39 H GLN 39 -3.846 11.038 2.075 264 HA GLN 39 HA GLN 39 -5.879 10.798 3.932 265 HB3 GLN 39 2HB GLN 39 -3.227 11.351 4.071 266 HG3 GLN 39 2HG GLN 39 -3.868 13.818 3.667 267 HE21 GLN 39 1HE2 GLN 39 -3.925 12.898 7.095 268 HE22 GLN 39 2HE2 GLN 39 -5.124 14.051 7.560 269 H ASP 40 H ASP 40 -5.068 13.497 1.864 270 HA ASP 40 HA ASP 40 -6.829 15.338 3.216 271 HB3 ASP 40 2HB ASP 40 -5.669 15.697 0.457 272 H LYS 41 H LYS 41 -7.038 13.060 0.617 273 HA LYS 41 HA LYS 41 -9.390 14.146 -0.593 274 HB3 LYS 41 2HB LYS 41 -9.409 12.199 -1.952 275 HG3 LYS 41 2HG LYS 41 -7.081 11.852 -2.655 276 HD3 LYS 41 2HD LYS 41 -8.372 14.455 -2.352 277 HE3 LYS 41 2HE LYS 41 -5.532 14.575 -3.255 278 HZ1 LYS 41 3HZ LYS 41 -6.648 16.525 -3.718 279 HZ2 LYS 41 1HZ LYS 41 -5.929 16.883 -2.230 280 HZ3 LYS 41 2HZ LYS 41 -7.569 16.477 -2.300 281 H GLU 42 H GLU 42 -8.819 11.292 1.470 282 HA GLU 42 HA GLU 42 -11.624 11.498 2.347 283 HB3 GLU 42 2HB GLU 42 -11.313 8.930 2.739 284 HG3 GLU 42 2HG GLU 42 -11.740 8.557 0.176 285 H GLY 43 H GLY 43 -8.304 10.704 3.187 286 HA2 GLY 43 2HA GLY 43 -7.241 11.024 5.227 287 HA3 GLY 43 3HA GLY 43 -8.785 11.492 5.923 288 H ILE 44 H ILE 44 -7.774 8.499 4.291 289 HA ILE 44 HA ILE 44 -9.082 6.883 6.254 290 HB ILE 44 HB ILE 44 -7.836 6.465 3.680 291 HG13 ILE 44 2HG1 ILE 44 -9.925 5.170 5.393 292 HG21 ILE 44 1HG2 ILE 44 -7.244 4.423 5.818 293 HG22 ILE 44 2HG2 ILE 44 -7.037 4.170 4.086 294 HG23 ILE 44 3HG2 ILE 44 -6.065 5.380 4.921 295 HD11 ILE 44 3HD1 ILE 44 -9.858 6.788 2.950 296 HD12 ILE 44 1HD1 ILE 44 -10.981 5.428 2.923 297 HD13 ILE 44 2HD1 ILE 44 -11.101 6.648 4.192 298 HA PRO 45 HA PRO 45 -5.844 6.382 9.188 299 HB3 PRO 45 2HB PRO 45 -7.424 5.419 10.551 300 HG3 PRO 45 2HG PRO 45 -9.121 4.095 9.671 301 HD3 PRO 45 2HD PRO 45 -9.307 5.939 8.302 302 HA PRO 46 HA PRO 46 -2.972 4.040 6.615 303 HB3 PRO 46 2HB PRO 46 -1.670 5.931 6.550 304 HG3 PRO 46 2HG PRO 46 -1.728 7.486 8.279 305 HD3 PRO 46 2HD PRO 46 -3.985 7.257 7.875 306 H ASP 47 H ASP 47 -3.331 4.134 10.061 307 HA ASP 47 HA ASP 47 -1.369 2.275 10.818 308 HB3 ASP 47 2HB ASP 47 -3.224 1.837 12.696 309 H GLN 48 H GLN 48 -4.695 1.850 9.713 310 HA GLN 48 HA GLN 48 -4.274 -1.063 9.723 311 HB3 GLN 48 2HB GLN 48 -6.692 -1.301 9.730 312 HG3 GLN 48 2HG GLN 48 -7.306 -0.150 11.843 313 HE21 GLN 48 1HE2 GLN 48 -7.339 -2.399 12.175 314 HE22 GLN 48 2HE2 GLN 48 -5.999 -3.223 12.888 315 H GLN 49 H GLN 49 -4.610 1.674 7.734 316 HA GLN 49 HA GLN 49 -5.894 0.916 5.476 317 HB3 GLN 49 2HB GLN 49 -3.219 2.314 5.635 318 HG3 GLN 49 2HG GLN 49 -5.203 2.658 3.423 319 HE21 GLN 49 1HE2 GLN 49 -1.701 2.274 3.769 320 HE22 GLN 49 2HE2 GLN 49 -1.289 3.810 3.092 321 H ARG 50 H ARG 50 -5.542 -0.358 3.700 322 HA ARG 50 HA ARG 50 -3.313 -2.268 3.923 323 HB3 ARG 50 2HB ARG 50 -4.658 -3.930 2.997 324 HG3 ARG 50 2HG ARG 50 -6.776 -2.285 4.351 325 HD3 ARG 50 2HD ARG 50 -7.413 -4.433 3.240 326 HE ARG 50 HE ARG 50 -5.181 -5.490 4.565 327 HH11 ARG 50 1HH1 ARG 50 -8.522 -6.247 3.945 328 HH12 ARG 50 2HH1 ARG 50 -8.283 -7.961 4.018 329 HH21 ARG 50 1HH2 ARG 50 -4.853 -7.745 4.663 330 HH22 ARG 50 2HH2 ARG 50 -6.195 -8.813 4.426 331 H LEU 51 H LEU 51 -2.601 -3.188 1.778 332 HA LEU 51 HA LEU 51 -2.639 -1.120 -0.317 333 HB3 LEU 51 2HB LEU 51 -0.246 -2.136 -0.772 334 HG LEU 51 HG LEU 51 -0.458 0.219 -0.279 335 HD11 LEU 51 1HD1 LEU 51 -0.229 0.675 2.345 336 HD12 LEU 51 2HD1 LEU 51 -1.199 -0.797 2.395 337 HD13 LEU 51 3HD1 LEU 51 -1.782 0.613 1.511 338 HD21 LEU 51 3HD2 LEU 51 1.775 -0.241 -0.239 339 HD22 LEU 51 1HD2 LEU 51 1.628 -1.398 1.085 340 HD23 LEU 51 2HD2 LEU 51 1.570 0.333 1.417 341 H ILE 52 H ILE 52 -3.093 -1.813 -2.317 342 HA ILE 52 HA ILE 52 -2.892 -4.691 -2.888 343 HB ILE 52 HB ILE 52 -5.273 -2.909 -3.330 344 HG13 ILE 52 2HG1 ILE 52 -4.782 -5.576 -2.013 345 HG21 ILE 52 1HG2 ILE 52 -4.328 -5.171 -4.976 346 HG22 ILE 52 2HG2 ILE 52 -6.040 -5.165 -4.556 347 HG23 ILE 52 3HG2 ILE 52 -5.337 -3.793 -5.411 348 HD11 ILE 52 3HD1 ILE 52 -5.190 -2.910 -1.048 349 HD12 ILE 52 1HD1 ILE 52 -6.483 -3.971 -0.491 350 HD13 ILE 52 2HD1 ILE 52 -4.800 -4.380 -0.156 351 H PHE 53 H PHE 53 -1.641 -5.016 -4.592 352 HA PHE 53 HA PHE 53 -1.680 -3.042 -6.774 353 HB3 PHE 53 2HB PHE 53 0.702 -4.351 -5.472 354 HD1 PHE 53 2HD PHE 53 -0.387 -2.569 -8.541 355 HD2 PHE 53 1HD PHE 53 2.722 -4.698 -6.563 356 HE1 PHE 53 2HE PHE 53 0.914 -2.600 -10.628 357 HE2 PHE 53 1HE PHE 53 4.030 -4.731 -8.647 358 HZ PHE 53 HZ PHE 53 3.126 -3.683 -10.684 359 H ALA 54 H ALA 54 -2.549 -3.994 -8.487 360 HA ALA 54 HA ALA 54 -3.099 -5.544 -10.063 361 HB1 ALA 54 1HB ALA 54 -0.269 -6.276 -9.409 362 HB2 ALA 54 2HB ALA 54 -1.194 -7.190 -10.601 363 HB3 ALA 54 3HB ALA 54 -0.907 -5.467 -10.839 364 H GLY 55 H GLY 55 -3.899 -6.081 -7.329 365 HA2 GLY 55 2HA GLY 55 -5.244 -7.822 -6.516 366 HA3 GLY 55 3HA GLY 55 -4.470 -8.921 -7.648 367 H LYS 56 H LYS 56 -1.841 -7.647 -6.577 368 HA LYS 56 HA LYS 56 -1.564 -9.567 -4.381 369 HB3 LYS 56 2HB LYS 56 0.799 -8.111 -5.436 370 HG3 LYS 56 2HG LYS 56 0.208 -10.955 -4.677 371 HD3 LYS 56 2HD LYS 56 2.820 -11.052 -5.067 372 HE3 LYS 56 2HE LYS 56 1.163 -11.236 -7.547 373 HZ1 LYS 56 3HZ LYS 56 3.613 -12.084 -7.029 374 HZ2 LYS 56 1HZ LYS 56 2.575 -12.888 -8.096 375 HZ3 LYS 56 2HZ LYS 56 2.750 -13.443 -6.507 376 H GLN 57 H GLN 57 -1.472 -8.908 -2.340 377 HA GLN 57 HA GLN 57 -1.471 -6.096 -1.721 378 HB3 GLN 57 2HB GLN 57 -1.686 -8.599 -0.063 379 HG3 GLN 57 2HG GLN 57 -1.288 -5.799 0.866 380 HE21 GLN 57 1HE2 GLN 57 -1.681 -5.605 3.288 381 HE22 GLN 57 2HE2 GLN 57 -3.238 -6.099 3.848 382 H LEU 58 H LEU 58 0.058 -4.971 -0.509 383 HA LEU 58 HA LEU 58 2.768 -5.787 -0.920 384 HB3 LEU 58 2HB LEU 58 3.154 -3.679 0.564 385 HG LEU 58 HG LEU 58 2.720 -2.099 -1.245 386 HD11 LEU 58 1HD1 LEU 58 4.467 -2.844 -2.434 387 HD12 LEU 58 2HD1 LEU 58 3.683 -4.375 -2.817 388 HD13 LEU 58 3HD1 LEU 58 4.490 -4.163 -1.264 389 HD21 LEU 58 3HD2 LEU 58 1.290 -2.442 -2.948 390 HD22 LEU 58 1HD2 LEU 58 0.558 -3.605 -1.842 391 HD23 LEU 58 2HD2 LEU 58 1.688 -4.156 -3.079 392 H GLU 59 H GLU 59 4.237 -5.153 1.182 393 HA GLU 59 HA GLU 59 3.290 -6.952 3.315 394 HB3 GLU 59 2HB GLU 59 5.125 -8.118 2.700 395 HG3 GLU 59 2HG GLU 59 6.095 -5.579 1.464 396 H ASP 60 H ASP 60 5.975 -4.636 3.132 397 HA ASP 60 HA ASP 60 4.993 -3.432 5.628 398 HB3 ASP 60 2HB ASP 60 7.755 -3.529 4.407 399 H GLY 61 H GLY 61 7.129 -2.164 3.087 400 HA2 GLY 61 2HA GLY 61 5.530 -0.437 1.743 401 HA3 GLY 61 3HA GLY 61 5.837 0.413 3.251 402 H ARG 62 H ARG 62 7.026 -0.365 0.160 403 HA ARG 62 HA ARG 62 9.530 1.052 0.774 404 HB3 ARG 62 2HB ARG 62 9.858 -0.759 -1.444 405 HG3 ARG 62 2HG ARG 62 11.576 0.289 0.208 406 HD3 ARG 62 2HD ARG 62 12.183 -1.861 1.707 407 HE ARG 62 HE ARG 62 11.173 0.672 2.308 408 HH11 ARG 62 1HH1 ARG 62 11.324 -2.510 3.711 409 HH12 ARG 62 2HH1 ARG 62 11.298 -1.933 5.345 410 HH21 ARG 62 1HH2 ARG 62 11.137 1.444 4.454 411 HH22 ARG 62 2HH2 ARG 62 11.190 0.317 5.766 412 H THR 63 H THR 63 10.596 1.842 -1.315 413 HA THR 63 HA THR 63 8.661 3.432 -2.721 414 HB THR 63 HB THR 63 10.481 4.578 -3.703 415 HG1 THR 63 1HG THR 63 12.580 3.696 -3.753 416 HG21 THR 63 3HG2 THR 63 11.633 5.347 -1.849 417 HG22 THR 63 1HG2 THR 63 11.775 3.739 -1.139 418 HG23 THR 63 2HG2 THR 63 10.227 4.586 -1.104 419 H LEU 64 H LEU 64 8.530 3.567 -5.064 420 HA LEU 64 HA LEU 64 8.053 1.067 -6.264 421 HB3 LEU 64 2HB LEU 64 8.282 3.848 -7.381 422 HG LEU 64 HG LEU 64 8.376 1.540 -8.982 423 HD11 LEU 64 1HD1 LEU 64 5.939 1.333 -8.467 424 HD12 LEU 64 2HD1 LEU 64 6.316 1.530 -10.177 425 HD13 LEU 64 3HD1 LEU 64 5.702 2.897 -9.247 426 HD21 LEU 64 3HD2 LEU 64 7.605 4.363 -9.711 427 HD22 LEU 64 1HD2 LEU 64 8.249 3.134 -10.801 428 HD23 LEU 64 2HD2 LEU 64 9.256 3.778 -9.503 429 H SER 65 H SER 65 10.770 3.304 -6.457 430 HA SER 65 HA SER 65 12.132 1.896 -8.529 431 HB3 SER 65 2HB SER 65 13.212 3.863 -6.494 432 HG SER 65 HG SER 65 14.540 4.022 -8.719 433 H GLU 66 H GLU 66 12.600 2.087 -5.004 434 HA GLU 66 HA GLU 66 14.749 0.316 -4.824 435 HB3 GLU 66 2HB GLU 66 13.920 -0.044 -2.451 436 HG3 GLU 66 2HG GLU 66 14.011 2.476 -1.871 437 H TYR 67 H TYR 67 11.270 -0.291 -4.808 438 HA TYR 67 HA TYR 67 11.656 -3.144 -4.465 439 HB3 TYR 67 2HB TYR 67 8.978 -2.285 -5.252 440 HD1 TYR 67 1HD TYR 67 10.186 -4.949 -4.818 441 HD2 TYR 67 2HD TYR 67 8.383 -2.260 -2.057 442 HE1 TYR 67 1HE TYR 67 9.601 -6.843 -3.363 443 HE2 TYR 67 2HE TYR 67 7.795 -4.146 -0.593 444 HH TYR 67 HH TYR 67 8.229 -7.459 -1.605 445 H ASN 68 H ASN 68 11.799 -1.013 -7.015 446 HA ASN 68 HA ASN 68 11.684 -1.196 -9.285 447 HB3 ASN 68 2HB ASN 68 12.492 -3.382 -10.195 448 HD21 ASN 68 1HD2 ASN 68 13.985 -1.690 -10.630 449 HD22 ASN 68 2HD2 ASN 68 15.406 -1.506 -9.664 450 H ILE 69 H ILE 69 9.201 -1.611 -7.799 451 HA ILE 69 HA ILE 69 7.767 -3.601 -9.377 452 HB ILE 69 HB ILE 69 5.829 -3.027 -7.950 453 HG13 ILE 69 2HG1 ILE 69 6.487 -0.663 -7.534 454 HG21 ILE 69 1HG2 ILE 69 7.449 -3.540 -5.738 455 HG22 ILE 69 2HG2 ILE 69 6.649 -4.722 -6.772 456 HG23 ILE 69 3HG2 ILE 69 8.308 -4.230 -7.115 457 HD11 ILE 69 3HD1 ILE 69 5.187 -0.607 -5.748 458 HD12 ILE 69 1HD1 ILE 69 5.248 -2.370 -5.717 459 HD13 ILE 69 2HD1 ILE 69 6.402 -1.429 -4.770 460 H GLN 70 H GLN 70 5.702 -3.015 -10.393 461 HA GLN 70 HA GLN 70 5.906 -0.389 -11.690 462 HB3 GLN 70 2HB GLN 70 4.450 -1.374 -13.439 463 HG3 GLN 70 2HG GLN 70 6.797 -3.175 -12.909 464 HE21 GLN 70 1HE2 GLN 70 7.838 -3.792 -14.940 465 HE22 GLN 70 2HE2 GLN 70 6.848 -4.078 -16.326 466 H LYS 71 H LYS 71 4.907 -0.132 -9.234 467 HA LYS 71 HA LYS 71 2.034 -0.377 -9.207 468 HB3 LYS 71 2HB LYS 71 3.861 -0.355 -7.233 469 HG3 LYS 71 2HG LYS 71 2.651 2.392 -7.065 470 HD3 LYS 71 2HD LYS 71 4.981 1.406 -5.486 471 HE3 LYS 71 2HE LYS 71 4.001 3.795 -5.516 472 HZ1 LYS 71 3HZ LYS 71 1.889 2.284 -4.154 473 HZ2 LYS 71 1HZ LYS 71 1.764 3.625 -5.177 474 HZ3 LYS 71 2HZ LYS 71 2.275 3.827 -3.578 475 H GLU 72 H GLU 72 4.053 1.688 -10.742 476 HA GLU 72 HA GLU 72 2.648 4.159 -10.225 477 HB3 GLU 72 2HB GLU 72 5.030 4.232 -10.717 478 HG3 GLU 72 2HG GLU 72 4.638 3.609 -13.581 479 H SER 73 H SER 73 0.713 2.514 -10.920 480 HA SER 73 HA SER 73 -0.160 3.560 -13.488 481 HB3 SER 73 2HB SER 73 -1.006 1.073 -13.935 482 HG SER 73 HG SER 73 0.287 2.118 -15.409 483 H THR 74 H THR 74 -1.318 0.851 -11.507 484 HA THR 74 HA THR 74 -3.622 2.481 -10.692 485 HB THR 74 HB THR 74 -4.364 -0.293 -11.158 486 HG1 THR 74 1HG THR 74 -2.747 0.331 -12.919 487 HG21 THR 74 3HG2 THR 74 -5.570 2.210 -11.062 488 HG22 THR 74 1HG2 THR 74 -6.350 0.683 -11.469 489 HG23 THR 74 2HG2 THR 74 -5.716 1.717 -12.749 490 H LEU 75 H LEU 75 -3.446 2.577 -8.546 491 HA LEU 75 HA LEU 75 -3.041 0.062 -7.078 492 HB3 LEU 75 2HB LEU 75 -2.061 2.110 -5.450 493 HG LEU 75 HG LEU 75 0.235 1.159 -5.984 494 HD11 LEU 75 1HD1 LEU 75 -0.293 0.024 -4.153 495 HD12 LEU 75 2HD1 LEU 75 -0.954 -1.244 -5.185 496 HD13 LEU 75 3HD1 LEU 75 -2.005 0.036 -4.578 497 HD21 LEU 75 3HD2 LEU 75 0.408 -0.793 -7.299 498 HD22 LEU 75 1HD2 LEU 75 -0.500 0.364 -8.272 499 HD23 LEU 75 2HD2 LEU 75 -1.344 -0.944 -7.443 500 H HIS 76 H HIS 76 -4.647 -0.367 -5.725 501 HA HIS 76 HA HIS 76 -6.328 1.866 -4.795 502 HB3 HIS 76 2HB HIS 76 -8.226 0.440 -4.833 503 HD1 HIS 76 1HD HIS 76 -8.714 -1.554 -7.134 504 HD2 HIS 76 2HD HIS 76 -6.366 1.860 -7.449 505 HE1 HIS 76 1HE HIS 76 -8.674 -0.990 -9.584 506 H LEU 77 H LEU 77 -5.731 2.337 -2.773 507 HA LEU 77 HA LEU 77 -5.569 0.122 -0.844 508 HB3 LEU 77 2HB LEU 77 -3.337 0.666 -1.001 509 HG LEU 77 HG LEU 77 -4.178 3.463 -1.564 510 HD11 LEU 77 1HD1 LEU 77 -1.715 2.670 -0.053 511 HD12 LEU 77 2HD1 LEU 77 -2.836 3.993 0.262 512 HD13 LEU 77 3HD1 LEU 77 -1.727 4.085 -1.106 513 HD21 LEU 77 3HD2 LEU 77 -3.009 1.366 -2.981 514 HD22 LEU 77 1HD2 LEU 77 -1.704 2.519 -2.707 515 HD23 LEU 77 2HD2 LEU 77 -3.186 3.040 -3.508 516 H VAL 78 H VAL 78 -7.580 0.435 0.023 517 HA VAL 78 HA VAL 78 -7.877 2.783 1.717 518 HB VAL 78 HB VAL 78 -10.096 2.000 -0.174 519 HG11 VAL 78 1HG1 VAL 78 -11.274 3.052 1.428 520 HG12 VAL 78 2HG1 VAL 78 -9.847 3.837 2.108 521 HG13 VAL 78 3HG1 VAL 78 -10.633 4.514 0.681 522 HG21 VAL 78 3HG2 VAL 78 -9.613 4.066 -1.383 523 HG22 VAL 78 1HG2 VAL 78 -8.228 4.365 -0.332 524 HG23 VAL 78 2HG2 VAL 78 -8.227 2.975 -1.418 525 H LEU 79 H LEU 79 -8.728 2.260 3.635 526 HA LEU 79 HA LEU 79 -10.027 -0.372 3.888 527 HB3 LEU 79 2HB LEU 79 -8.581 1.142 6.053 528 HG LEU 79 HG LEU 79 -10.027 -0.564 6.991 529 HD11 LEU 79 1HD1 LEU 79 -10.297 -1.979 5.042 530 HD12 LEU 79 2HD1 LEU 79 -9.717 -2.928 6.410 531 HD13 LEU 79 3HD1 LEU 79 -8.602 -2.458 5.128 532 HD21 LEU 79 3HD2 LEU 79 -8.475 -1.352 8.434 533 HD22 LEU 79 1HD2 LEU 79 -7.430 -0.223 7.570 534 HD23 LEU 79 2HD2 LEU 79 -7.416 -1.935 7.148 535 H ARG 80 H ARG 80 -12.148 -0.186 4.136 536 HA ARG 80 HA ARG 80 -14.201 0.687 4.641 537 HB3 ARG 80 2HB ARG 80 -14.138 1.607 7.147 538 HG3 ARG 80 2HG ARG 80 -13.508 -1.237 7.207 539 HD3 ARG 80 2HD ARG 80 -15.645 -1.375 8.286 540 HE ARG 80 HE ARG 80 -13.877 0.726 9.171 541 HH11 ARG 80 1HH1 ARG 80 -16.745 -1.124 9.856 542 HH12 ARG 80 2HH1 ARG 80 -16.687 -0.828 11.562 543 HH21 ARG 80 1HH2 ARG 80 -13.789 1.123 11.416 544 HH22 ARG 80 2HH2 ARG 80 -15.006 0.451 12.448 545 H LEU 81 H LEU 81 -13.888 2.408 3.046 546 HA LEU 81 HA LEU 81 -12.874 4.934 3.560 547 HB3 LEU 81 2HB LEU 81 -13.665 3.993 1.360 548 HG LEU 81 HG LEU 81 -15.851 4.255 0.575 549 HD11 LEU 81 1HD1 LEU 81 -16.165 3.231 3.391 550 HD12 LEU 81 2HD1 LEU 81 -15.535 2.292 2.038 551 HD13 LEU 81 3HD1 LEU 81 -17.201 2.870 2.011 552 HD21 LEU 81 3HD2 LEU 81 -16.018 6.460 2.074 553 HD22 LEU 81 1HD2 LEU 81 -16.991 5.372 3.064 554 HD23 LEU 81 2HD2 LEU 81 -17.431 5.663 1.381 555 H ARG 82 H ARG 82 -14.239 6.982 3.668 556 HA ARG 82 HA ARG 82 -16.308 6.638 5.738 557 HB3 ARG 82 2HB ARG 82 -14.402 8.947 5.323 558 HG3 ARG 82 2HG ARG 82 -16.727 9.462 6.305 559 HD3 ARG 82 2HD ARG 82 -16.585 9.123 8.857 560 HE ARG 82 HE ARG 82 -17.786 7.512 6.935 561 HH11 ARG 82 1HH1 ARG 82 -16.668 7.257 10.222 562 HH12 ARG 82 2HH1 ARG 82 -17.829 6.048 10.660 563 HH21 ARG 82 1HH2 ARG 82 -19.320 5.922 7.499 564 HH22 ARG 82 2HH2 ARG 82 -19.337 5.289 9.112 565 H GLY 83 H GLY 83 -15.292 9.224 3.493 566 HA2 GLY 83 2HA GLY 83 -16.983 9.498 1.583 567 HA3 GLY 83 3HA GLY 83 -18.142 9.673 2.893 568 H TYR 84 H TYR 84 -15.206 11.080 1.504 569 HA TYR 84 HA TYR 84 -16.234 13.735 1.988 570 HB3 TYR 84 2HB TYR 84 -13.943 14.342 3.089 571 HD1 TYR 84 2HD TYR 84 -16.668 15.131 3.489 572 HD2 TYR 84 1HD TYR 84 -14.346 12.371 5.745 573 HE1 TYR 84 2HE TYR 84 -18.079 15.562 5.456 574 HE2 TYR 84 1HE TYR 84 -15.752 12.793 7.720 575 HH TYR 84 HH TYR 84 -17.653 13.745 8.455 576 H ALA 85 H ALA 85 -14.877 15.409 0.995 577 HA ALA 85 HA ALA 85 -12.638 14.830 -0.604 578 HB1 ALA 85 1HB ALA 85 -13.707 14.999 -2.846 579 HB2 ALA 85 2HB ALA 85 -14.103 13.518 -1.973 580 HB3 ALA 85 3HB ALA 85 -15.277 14.831 -2.060 581 H ASP 86 H ASP 86 -11.633 16.718 -0.701 582 HA ASP 86 HA ASP 86 -12.744 19.066 -1.769 583 HB3 ASP 86 2HB ASP 86 -12.249 19.487 1.146 584 H LEU 87 H LEU 87 -11.269 21.005 -1.344 585 HA LEU 87 HA LEU 87 -8.533 20.074 -1.608 586 HB3 LEU 87 2HB LEU 87 -8.186 22.623 -1.980 587 HG LEU 87 HG LEU 87 -9.846 21.083 -3.974 588 HD11 LEU 87 1HD1 LEU 87 -8.913 22.661 -5.612 589 HD12 LEU 87 2HD1 LEU 87 -8.190 23.582 -4.295 590 HD13 LEU 87 3HD1 LEU 87 -9.944 23.459 -4.425 591 HD21 LEU 87 3HD2 LEU 87 -7.070 20.924 -3.140 592 HD22 LEU 87 1HD2 LEU 87 -7.236 21.259 -4.864 593 HD23 LEU 87 2HD2 LEU 87 -8.009 19.836 -4.163 594 H ARG 88 H ARG 88 -6.807 21.544 -0.581 595 HA ARG 88 HA ARG 88 -7.276 22.943 1.791 596 HB3 ARG 88 2HB ARG 88 -6.017 20.489 2.737 597 HG3 ARG 88 2HG ARG 88 -8.177 22.321 3.661 598 HD3 ARG 88 2HD ARG 88 -8.276 20.730 5.689 599 HE ARG 88 HE ARG 88 -9.796 19.396 3.698 600 HH11 ARG 88 1HH1 ARG 88 -9.419 22.467 5.294 601 HH12 ARG 88 2HH1 ARG 88 -11.067 22.944 5.048 602 HH21 ARG 88 1HH2 ARG 88 -11.968 20.012 3.370 603 HH22 ARG 88 2HH2 ARG 88 -12.515 21.547 3.955 604 H GLU 89 H GLU 89 -5.049 22.470 3.281 605 HA GLU 89 HA GLU 89 -2.936 23.253 1.421 606 HB3 GLU 89 2HB GLU 89 -3.492 24.657 3.430 607 HG3 GLU 89 2HG GLU 89 -2.009 22.586 5.015 608 H ASP 90 H ASP 90 -3.877 20.437 1.917 609 HA ASP 90 HA ASP 90 -2.958 18.358 2.013 610 HB3 ASP 90 2HB ASP 90 -0.196 18.712 2.076 611 HA PRO 91 HA PRO 91 -2.029 17.446 6.200 612 HB3 PRO 91 2HB PRO 91 -2.320 15.227 5.684 613 HG3 PRO 91 2HG PRO 91 -1.577 14.357 3.660 614 HD3 PRO 91 2HD PRO 91 -2.742 16.195 2.898 615 H ASP 92 H ASP 92 -0.619 19.400 6.301 616 HA ASP 92 HA ASP 92 1.866 18.778 7.479 617 HB3 ASP 92 2HB ASP 92 1.972 19.943 4.693 618 H ARG 93 H ARG 93 2.585 20.445 8.722 619 HA ARG 93 HA ARG 93 0.846 22.634 9.161 620 HB3 ARG 93 2HB ARG 93 2.563 23.410 10.750 621 HG3 ARG 93 2HG ARG 93 2.944 21.040 11.893 622 HD3 ARG 93 2HD ARG 93 0.642 21.235 12.826 623 HE ARG 93 HE ARG 93 2.634 22.991 13.264 624 HH11 ARG 93 1HH1 ARG 93 -0.816 23.361 12.975 625 HH12 ARG 93 2HH1 ARG 93 -0.890 24.723 14.044 626 HH21 ARG 93 1HH2 ARG 93 2.549 24.783 14.673 627 HH22 ARG 93 2HH2 ARG 93 1.025 25.531 15.008 628 H GLN 94 H GLN 94 2.250 24.879 9.509 629 HA GLN 94 HA GLN 94 2.762 25.719 6.785 630 HB3 GLN 94 2HB GLN 94 1.391 27.045 8.445 631 HG3 GLN 94 2HG GLN 94 4.013 28.047 9.484 632 HE21 GLN 94 1HE2 GLN 94 3.493 28.823 11.819 633 HE22 GLN 94 2HE2 GLN 94 2.094 29.828 11.953 634 H ASP 95 H ASP 95 4.665 26.737 6.068 635 HA ASP 95 HA ASP 95 6.972 27.093 7.645 636 HB3 ASP 95 2HB ASP 95 7.124 24.665 5.856 637 H HIS 96 H HIS 96 8.802 27.823 6.409 638 HA HIS 96 HA HIS 96 8.826 27.986 3.598 639 HB3 HIS 96 2HB HIS 96 8.247 30.686 4.746 640 HD1 HIS 96 1HD HIS 96 6.755 28.763 1.838 641 HD2 HIS 96 2HD HIS 96 9.175 32.057 2.583 642 HE1 HIS 96 1HE HIS 96 7.111 29.856 -0.399 643 H HIS 97 H HIS 97 10.444 29.728 2.852 644 HA HIS 97 HA HIS 97 12.356 30.581 4.839 645 HB3 HIS 97 2HB HIS 97 13.255 28.420 4.675 646 HD1 HIS 97 1HD HIS 97 12.209 26.367 3.740 647 HD2 HIS 97 2HD HIS 97 13.414 29.005 0.764 648 HE1 HIS 97 1HE HIS 97 11.834 25.150 1.571 649 HA PRO 98 HA PRO 98 13.165 33.729 1.894 650 HB3 PRO 98 2HB PRO 98 14.472 34.740 3.492 651 HG3 PRO 98 2HG PRO 98 15.806 33.481 4.922 652 HD3 PRO 98 2HD PRO 98 13.802 32.369 5.168 653 H GLY 99 H GLY 99 15.149 34.417 0.342 654 HA2 GLY 99 2HA GLY 99 16.870 32.691 -0.856 655 HA3 GLY 99 3HA GLY 99 15.322 32.263 -1.568 656 H SER 100 H SER 100 17.922 34.500 -1.538 657 HA SER 100 HA SER 100 17.294 35.570 -4.051 658 HB3 SER 100 2HB SER 100 15.564 36.892 -3.227 659 HG SER 100 HG SER 100 15.581 36.645 -1.079 660 H GLY 101 H GLY 101 18.683 37.586 -4.515 661 HA2 GLY 101 2HA GLY 101 20.772 38.478 -2.984 662 HA3 GLY 101 3HA GLY 101 21.355 36.969 -3.674 663 H ALA 102 H ALA 102 22.021 39.918 -4.066 664 HA ALA 102 HA ALA 102 22.693 39.756 -6.798 665 HB1 ALA 102 1HB ALA 102 21.200 41.152 -7.876 666 HB2 ALA 102 2HB ALA 102 20.145 40.245 -6.792 667 HB3 ALA 102 3HB ALA 102 20.638 41.885 -6.373 668 H GLN 103 H GLN 103 23.306 42.109 -7.614 669 HA GLN 103 HA GLN 103 25.092 43.156 -5.588 670 HB3 GLN 103 2HB GLN 103 24.772 44.129 -8.425 671 HG3 GLN 103 2HG GLN 103 26.835 44.463 -6.319 672 HE21 GLN 103 1HE2 GLN 103 28.645 45.952 -7.592 673 HE22 GLN 103 2HE2 GLN 103 29.525 45.014 -8.745 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -16.679 25.219 4.329 2 HA2 GLY 1 2HA GLY 1 -14.836 23.166 3.511 3 HA3 GLY 1 3HA GLY 1 -16.514 22.743 3.207 4 H SER 2 H SER 2 -16.733 22.900 1.060 5 HA SER 2 HA SER 2 -16.849 23.799 -1.027 6 HB3 SER 2 2HB SER 2 -17.215 26.224 -1.208 7 HG SER 2 HG SER 2 -18.795 24.658 -0.138 8 H LEU 3 H LEU 3 -14.280 23.076 0.019 9 HA LEU 3 HA LEU 3 -12.590 24.866 -1.594 10 HB3 LEU 3 2HB LEU 3 -10.814 23.852 0.175 11 HG LEU 3 HG LEU 3 -12.348 26.411 0.286 12 HD11 LEU 3 1HD1 LEU 3 -11.071 27.128 2.222 13 HD12 LEU 3 2HD1 LEU 3 -10.345 25.526 2.359 14 HD13 LEU 3 3HD1 LEU 3 -12.076 25.736 2.625 15 HD21 LEU 3 3HD2 LEU 3 -9.856 25.460 -0.767 16 HD22 LEU 3 1HD2 LEU 3 -9.566 26.763 0.385 17 HD23 LEU 3 2HD2 LEU 3 -10.639 27.025 -0.990 18 H VAL 4 H VAL 4 -10.875 23.886 -2.719 19 HA VAL 4 HA VAL 4 -11.059 20.949 -2.915 20 HB VAL 4 HB VAL 4 -10.419 22.889 -5.142 21 HG11 VAL 4 1HG1 VAL 4 -10.410 20.958 -6.597 22 HG12 VAL 4 2HG1 VAL 4 -9.233 20.730 -5.302 23 HG13 VAL 4 3HG1 VAL 4 -10.787 19.897 -5.240 24 HG21 VAL 4 3HG2 VAL 4 -12.561 22.180 -6.098 25 HG22 VAL 4 1HG2 VAL 4 -12.869 21.193 -4.669 26 HG23 VAL 4 2HG2 VAL 4 -12.779 22.949 -4.525 27 HA PRO 5 HA PRO 5 -6.787 20.975 -1.772 28 HB3 PRO 5 2HB PRO 5 -7.158 18.857 -0.964 29 HG3 PRO 5 2HG PRO 5 -8.694 17.438 -1.982 30 HD3 PRO 5 2HD PRO 5 -9.991 19.330 -1.758 31 H ARG 6 H ARG 6 -4.681 19.994 -2.811 32 HA ARG 6 HA ARG 6 -4.738 20.352 -5.724 33 HB3 ARG 6 2HB ARG 6 -2.733 21.749 -5.631 34 HG3 ARG 6 2HG ARG 6 -3.715 23.681 -4.149 35 HD3 ARG 6 2HD ARG 6 -3.789 23.178 -6.745 36 HE ARG 6 HE ARG 6 -6.271 22.138 -6.009 37 HH11 ARG 6 1HH1 ARG 6 -4.946 24.448 -8.250 38 HH12 ARG 6 2HH1 ARG 6 -6.196 24.221 -9.426 39 HH21 ARG 6 1HH2 ARG 6 -7.923 21.829 -7.551 40 HH22 ARG 6 2HH2 ARG 6 -7.890 22.731 -9.027 41 H GLY 7 H GLY 7 -2.250 19.952 -6.468 42 HA2 GLY 7 2HA GLY 7 -0.522 18.260 -5.234 43 HA3 GLY 7 3HA GLY 7 -1.793 17.185 -5.796 44 H SER 8 H SER 8 0.773 16.858 -6.693 45 HA SER 8 HA SER 8 0.663 17.894 -9.450 46 HB3 SER 8 2HB SER 8 3.226 17.024 -9.200 47 HG SER 8 HG SER 8 3.343 19.440 -8.297 48 H MET 9 H MET 9 0.638 15.107 -7.459 49 HA MET 9 HA MET 9 0.968 13.375 -9.818 50 HB3 MET 9 2HB MET 9 2.181 11.944 -8.589 51 HG3 MET 9 2HG MET 9 3.120 12.762 -6.426 52 HE1 MET 9 3HE MET 9 4.293 15.135 -6.008 53 HE2 MET 9 1HE MET 9 5.752 14.446 -6.720 54 HE3 MET 9 2HE MET 9 5.154 16.009 -7.276 55 H GLN 10 H GLN 10 -0.665 12.062 -10.414 56 HA GLN 10 HA GLN 10 -2.991 11.858 -8.622 57 HB3 GLN 10 2HB GLN 10 -4.498 12.165 -10.446 58 HG3 GLN 10 2HG GLN 10 -2.820 14.208 -9.674 59 HE21 GLN 10 1HE2 GLN 10 -3.445 16.252 -11.549 60 HE22 GLN 10 2HE2 GLN 10 -2.304 16.138 -12.841 61 H ILE 11 H ILE 11 -4.038 9.905 -8.557 62 HA ILE 11 HA ILE 11 -3.184 7.785 -10.376 63 HB ILE 11 HB ILE 11 -1.944 7.951 -7.969 64 HG13 ILE 11 2HG1 ILE 11 -2.699 5.454 -9.500 65 HG21 ILE 11 1HG2 ILE 11 -4.206 7.570 -6.891 66 HG22 ILE 11 2HG2 ILE 11 -4.113 5.923 -7.514 67 HG23 ILE 11 3HG2 ILE 11 -2.900 6.503 -6.373 68 HD11 ILE 11 3HD1 ILE 11 -0.494 7.436 -9.785 69 HD12 ILE 11 1HD1 ILE 11 -0.220 5.746 -10.204 70 HD13 ILE 11 2HD1 ILE 11 -1.482 6.665 -11.025 71 H PHE 12 H PHE 12 -4.494 5.754 -9.996 72 HA PHE 12 HA PHE 12 -7.259 6.516 -9.333 73 HB3 PHE 12 2HB PHE 12 -7.140 4.080 -10.833 74 HD1 PHE 12 2HD PHE 12 -7.437 7.746 -11.486 75 HD2 PHE 12 1HD PHE 12 -9.250 3.900 -11.692 76 HE1 PHE 12 2HE PHE 12 -9.468 8.758 -12.437 77 HE2 PHE 12 1HE PHE 12 -11.283 4.905 -12.644 78 HZ PHE 12 HZ PHE 12 -11.394 7.337 -13.018 79 H VAL 13 H VAL 13 -8.037 5.684 -7.522 80 HA VAL 13 HA VAL 13 -7.247 2.965 -6.745 81 HB VAL 13 HB VAL 13 -5.912 4.022 -5.215 82 HG11 VAL 13 1HG1 VAL 13 -6.250 6.283 -5.831 83 HG12 VAL 13 2HG1 VAL 13 -7.913 6.270 -5.240 84 HG13 VAL 13 3HG1 VAL 13 -6.569 6.191 -4.099 85 HG21 VAL 13 3HG2 VAL 13 -8.456 4.338 -3.658 86 HG22 VAL 13 1HG2 VAL 13 -7.859 2.745 -4.125 87 HG23 VAL 13 2HG2 VAL 13 -6.874 3.790 -3.102 88 H LYS 14 H LYS 14 -8.991 1.749 -6.500 89 HA LYS 14 HA LYS 14 -11.578 3.031 -6.027 90 HB3 LYS 14 2HB LYS 14 -12.301 0.522 -6.470 91 HG3 LYS 14 2HG LYS 14 -11.716 1.115 -9.056 92 HD3 LYS 14 2HD LYS 14 -13.912 2.126 -7.262 93 HE3 LYS 14 2HE LYS 14 -13.424 3.463 -9.464 94 HZ1 LYS 14 3HZ LYS 14 -13.889 0.926 -10.505 95 HZ2 LYS 14 1HZ LYS 14 -13.694 2.375 -11.356 96 HZ3 LYS 14 2HZ LYS 14 -15.240 1.863 -10.899 97 H THR 15 H THR 15 -12.623 2.887 -4.147 98 HA THR 15 HA THR 15 -11.370 1.582 -1.915 99 HB THR 15 HB THR 15 -13.016 2.594 -0.544 100 HG1 THR 15 1HG THR 15 -15.009 2.618 -1.231 101 HG21 THR 15 3HG2 THR 15 -12.297 4.683 -0.879 102 HG22 THR 15 1HG2 THR 15 -13.133 4.800 -2.427 103 HG23 THR 15 2HG2 THR 15 -11.522 4.085 -2.346 104 H LEU 16 H LEU 16 -13.264 0.563 -0.353 105 HA LEU 16 HA LEU 16 -13.812 -1.967 -1.549 106 HB3 LEU 16 2HB LEU 16 -14.913 -2.476 0.608 107 HG LEU 16 HG LEU 16 -12.299 -2.414 0.340 108 HD11 LEU 16 1HD1 LEU 16 -11.494 -0.962 2.359 109 HD12 LEU 16 2HD1 LEU 16 -12.928 -0.007 1.982 110 HD13 LEU 16 3HD1 LEU 16 -11.679 -0.243 0.759 111 HD21 LEU 16 3HD2 LEU 16 -12.309 -2.768 2.991 112 HD22 LEU 16 1HD2 LEU 16 -12.952 -3.958 1.861 113 HD23 LEU 16 2HD2 LEU 16 -14.045 -2.847 2.687 114 H THR 17 H THR 17 -15.701 0.902 -0.849 115 HA THR 17 HA THR 17 -18.199 -0.382 -1.569 116 HB THR 17 HB THR 17 -17.812 1.552 0.174 117 HG1 THR 17 1HG THR 17 -19.986 1.313 -1.643 118 HG21 THR 17 3HG2 THR 17 -18.178 3.759 -0.683 119 HG22 THR 17 1HG2 THR 17 -18.411 3.144 -2.318 120 HG23 THR 17 2HG2 THR 17 -16.819 3.062 -1.564 121 H GLY 18 H GLY 18 -15.789 1.676 -3.025 122 HA2 GLY 18 2HA GLY 18 -15.762 1.379 -5.527 123 HA3 GLY 18 3HA GLY 18 -17.455 1.846 -5.458 124 H LYS 19 H LYS 19 -15.902 3.588 -3.135 125 HA LYS 19 HA LYS 19 -16.199 6.044 -4.481 126 HB3 LYS 19 2HB LYS 19 -14.509 6.666 -2.443 127 HG3 LYS 19 2HG LYS 19 -16.463 6.983 -1.006 128 HD3 LYS 19 2HD LYS 19 -17.343 7.671 -3.787 129 HE3 LYS 19 2HE LYS 19 -17.193 9.393 -1.325 130 HZ1 LYS 19 3HZ LYS 19 -19.106 10.463 -2.556 131 HZ2 LYS 19 1HZ LYS 19 -18.631 9.560 -3.906 132 HZ3 LYS 19 2HZ LYS 19 -17.568 10.684 -3.224 133 H THR 20 H THR 20 -14.627 7.542 -5.188 134 HA THR 20 HA THR 20 -12.042 6.323 -5.913 135 HB THR 20 HB THR 20 -12.274 8.296 -7.746 136 HG1 THR 20 1HG THR 20 -14.416 8.805 -7.090 137 HG21 THR 20 3HG2 THR 20 -13.524 5.576 -8.122 138 HG22 THR 20 1HG2 THR 20 -11.783 5.855 -8.081 139 HG23 THR 20 2HG2 THR 20 -12.765 6.590 -9.349 140 H ILE 21 H ILE 21 -10.263 7.331 -5.232 141 HA ILE 21 HA ILE 21 -10.444 10.163 -4.463 142 HB ILE 21 HB ILE 21 -8.843 9.610 -2.570 143 HG13 ILE 21 2HG1 ILE 21 -8.503 7.436 -1.870 144 HG21 ILE 21 1HG2 ILE 21 -11.083 10.246 -2.074 145 HG22 ILE 21 2HG2 ILE 21 -11.696 8.655 -2.521 146 HG23 ILE 21 3HG2 ILE 21 -10.703 8.842 -1.077 147 HD11 ILE 21 3HD1 ILE 21 -9.954 5.540 -2.964 148 HD12 ILE 21 1HD1 ILE 21 -10.501 6.403 -1.527 149 HD13 ILE 21 2HD1 ILE 21 -11.130 6.845 -3.115 150 H THR 22 H THR 22 -8.716 11.406 -4.990 151 HA THR 22 HA THR 22 -6.803 10.309 -6.832 152 HB THR 22 HB THR 22 -6.168 12.996 -5.946 153 HG1 THR 22 1HG THR 22 -8.086 13.917 -6.041 154 HG21 THR 22 3HG2 THR 22 -5.422 12.657 -8.059 155 HG22 THR 22 1HG2 THR 22 -7.028 13.245 -8.490 156 HG23 THR 22 2HG2 THR 22 -6.706 11.512 -8.444 157 H LEU 23 H LEU 23 -4.859 9.527 -6.365 158 HA LEU 23 HA LEU 23 -3.575 10.348 -3.846 159 HB3 LEU 23 2HB LEU 23 -2.573 7.860 -4.243 160 HG LEU 23 HG LEU 23 -3.686 8.783 -2.129 161 HD11 LEU 23 1HD1 LEU 23 -5.987 8.373 -3.724 162 HD12 LEU 23 2HD1 LEU 23 -5.892 8.952 -2.061 163 HD13 LEU 23 3HD1 LEU 23 -6.049 7.226 -2.387 164 HD21 LEU 23 3HD2 LEU 23 -4.028 5.889 -2.909 165 HD22 LEU 23 1HD2 LEU 23 -4.078 6.514 -1.260 166 HD23 LEU 23 2HD2 LEU 23 -2.590 6.625 -2.200 167 H GLU 24 H GLU 24 -1.220 10.088 -3.830 168 HA GLU 24 HA GLU 24 -0.110 10.675 -6.482 169 HB3 GLU 24 2HB GLU 24 0.235 12.389 -4.769 170 HG3 GLU 24 2HG GLU 24 0.636 10.305 -3.003 171 H VAL 25 H VAL 25 1.865 9.729 -7.157 172 HA VAL 25 HA VAL 25 2.839 7.424 -5.652 173 HB VAL 25 HB VAL 25 2.692 5.897 -7.508 174 HG11 VAL 25 1HG1 VAL 25 0.694 6.339 -5.959 175 HG12 VAL 25 2HG1 VAL 25 -0.034 7.140 -7.352 176 HG13 VAL 25 3HG1 VAL 25 0.405 5.434 -7.445 177 HG21 VAL 25 3HG2 VAL 25 3.001 7.491 -9.328 178 HG22 VAL 25 1HG2 VAL 25 1.569 6.498 -9.601 179 HG23 VAL 25 2HG2 VAL 25 1.395 8.157 -9.031 180 H GLU 26 H GLU 26 4.940 6.758 -6.225 181 HA GLU 26 HA GLU 26 6.399 7.868 -8.384 182 HB3 GLU 26 2HB GLU 26 7.852 8.942 -6.192 183 HG3 GLU 26 2HG GLU 26 6.886 9.798 -8.751 184 HA PRO 27 HA PRO 27 8.967 4.448 -7.386 185 HB3 PRO 27 2HB PRO 27 9.842 4.661 -9.500 186 HG3 PRO 27 2HG PRO 27 10.155 6.753 -10.463 187 HD3 PRO 27 2HD PRO 27 7.970 6.964 -9.762 188 H SER 28 H SER 28 10.075 7.693 -6.632 189 HA SER 28 HA SER 28 11.990 6.626 -4.686 190 HB3 SER 28 2HB SER 28 12.840 8.333 -6.239 191 HG SER 28 HG SER 28 11.410 10.372 -5.044 192 H ASP 29 H ASP 29 8.866 7.903 -4.898 193 HA ASP 29 HA ASP 29 8.875 8.822 -2.114 194 HB3 ASP 29 2HB ASP 29 6.738 9.846 -2.588 195 H THR 30 H THR 30 8.344 7.409 -0.600 196 HA THR 30 HA THR 30 6.989 4.946 -1.265 197 HB THR 30 HB THR 30 7.478 4.209 0.927 198 HG1 THR 30 1HG THR 30 8.376 5.907 2.442 199 HG21 THR 30 3HG2 THR 30 9.837 4.551 1.138 200 HG22 THR 30 1HG2 THR 30 9.752 6.077 0.260 201 HG23 THR 30 2HG2 THR 30 9.453 4.557 -0.583 202 H ILE 31 H ILE 31 5.259 4.193 0.380 203 HA ILE 31 HA ILE 31 2.954 5.714 0.007 204 HB ILE 31 HB ILE 31 3.581 3.486 1.928 205 HG13 ILE 31 2HG1 ILE 31 2.060 3.749 -0.659 206 HG21 ILE 31 1HG2 ILE 31 1.933 4.587 3.139 207 HG22 ILE 31 2HG2 ILE 31 1.084 5.118 1.688 208 HG23 ILE 31 3HG2 ILE 31 1.012 3.427 2.181 209 HD11 ILE 31 3HD1 ILE 31 3.369 1.696 -1.219 210 HD12 ILE 31 1HD1 ILE 31 4.325 3.165 -1.025 211 HD13 ILE 31 2HD1 ILE 31 4.289 1.960 0.262 212 H GLU 32 H GLU 32 5.381 5.883 2.470 213 HA GLU 32 HA GLU 32 4.047 7.022 4.595 214 HB3 GLU 32 2HB GLU 32 6.700 8.143 3.796 215 HG3 GLU 32 2HG GLU 32 5.368 7.340 6.336 216 H ASN 33 H ASN 33 5.524 8.727 1.837 217 HA ASN 33 HA ASN 33 4.461 11.265 2.651 218 HB3 ASN 33 2HB ASN 33 5.582 12.171 0.797 219 HD21 ASN 33 1HD2 ASN 33 6.873 12.029 2.856 220 HD22 ASN 33 2HD2 ASN 33 8.352 11.138 2.784 221 H VAL 34 H VAL 34 3.473 8.684 0.531 222 HA VAL 34 HA VAL 34 1.561 10.104 -0.989 223 HB VAL 34 HB VAL 34 1.639 7.166 -0.287 224 HG11 VAL 34 1HG1 VAL 34 -0.168 8.786 -1.983 225 HG12 VAL 34 2HG1 VAL 34 0.349 7.223 -2.618 226 HG13 VAL 34 3HG1 VAL 34 -0.488 7.314 -1.068 227 HG21 VAL 34 3HG2 VAL 34 2.980 6.810 -2.106 228 HG22 VAL 34 1HG2 VAL 34 2.401 8.245 -2.951 229 HG23 VAL 34 2HG2 VAL 34 3.550 8.408 -1.624 230 H LYS 35 H LYS 35 1.448 8.551 2.149 231 HA LYS 35 HA LYS 35 -1.274 8.320 2.560 232 HB3 LYS 35 2HB LYS 35 0.752 7.707 4.087 233 HG3 LYS 35 2HG LYS 35 -0.075 10.208 5.512 234 HD3 LYS 35 2HD LYS 35 2.503 9.503 6.194 235 HE3 LYS 35 2HE LYS 35 -0.178 9.026 7.436 236 HZ1 LYS 35 3HZ LYS 35 0.655 7.924 9.206 237 HZ2 LYS 35 1HZ LYS 35 2.191 8.623 9.081 238 HZ3 LYS 35 2HZ LYS 35 1.759 7.346 8.061 239 H ALA 36 H ALA 36 0.747 11.178 2.651 240 HA ALA 36 HA ALA 36 -1.081 12.920 3.908 241 HB1 ALA 36 1HB ALA 36 0.461 14.536 3.554 242 HB2 ALA 36 2HB ALA 36 1.491 13.149 3.200 243 HB3 ALA 36 3HB ALA 36 0.746 14.053 1.883 244 H LYS 37 H LYS 37 -0.729 11.826 0.609 245 HA LYS 37 HA LYS 37 -2.463 13.807 -0.525 246 HB3 LYS 37 2HB LYS 37 -2.282 11.392 -2.101 247 HG3 LYS 37 2HG LYS 37 -2.511 13.817 -2.868 248 HD3 LYS 37 2HD LYS 37 0.077 14.412 -3.502 249 HE3 LYS 37 2HE LYS 37 -0.271 15.868 -1.225 250 HZ1 LYS 37 3HZ LYS 37 -1.500 17.442 -2.692 251 HZ2 LYS 37 1HZ LYS 37 -1.503 16.253 -3.895 252 HZ3 LYS 37 2HZ LYS 37 -0.039 16.887 -3.336 253 H ILE 38 H ILE 38 -2.812 10.334 0.187 254 HA ILE 38 HA ILE 38 -5.537 10.179 -0.536 255 HB ILE 38 HB ILE 38 -3.932 8.238 -0.243 256 HG13 ILE 38 2HG1 ILE 38 -5.692 6.772 -0.030 257 HG21 ILE 38 1HG2 ILE 38 -4.667 8.628 2.655 258 HG22 ILE 38 2HG2 ILE 38 -3.815 7.234 1.993 259 HG23 ILE 38 3HG2 ILE 38 -3.064 8.829 1.948 260 HD11 ILE 38 3HD1 ILE 38 -6.252 6.723 2.205 261 HD12 ILE 38 1HD1 ILE 38 -6.587 8.454 2.266 262 HD13 ILE 38 2HD1 ILE 38 -7.715 7.364 1.458 263 H GLN 39 H GLN 39 -3.904 10.978 2.466 264 HA GLN 39 HA GLN 39 -6.094 10.780 4.208 265 HB3 GLN 39 2HB GLN 39 -3.764 12.697 4.391 266 HG3 GLN 39 2HG GLN 39 -4.088 12.216 6.875 267 HE21 GLN 39 1HE2 GLN 39 -6.406 13.386 7.839 268 HE22 GLN 39 2HE2 GLN 39 -6.533 14.988 7.205 269 H ASP 40 H ASP 40 -5.146 13.248 1.939 270 HA ASP 40 HA ASP 40 -6.896 15.268 2.985 271 HB3 ASP 40 2HB ASP 40 -6.417 16.211 0.555 272 H LYS 41 H LYS 41 -7.167 12.650 0.728 273 HA LYS 41 HA LYS 41 -9.518 13.598 -0.594 274 HB3 LYS 41 2HB LYS 41 -9.592 11.464 -1.659 275 HG3 LYS 41 2HG LYS 41 -7.378 11.107 -2.503 276 HD3 LYS 41 2HD LYS 41 -8.620 13.637 -2.392 277 HE3 LYS 41 2HE LYS 41 -5.610 13.799 -2.228 278 HZ1 LYS 41 3HZ LYS 41 -5.827 15.631 -3.430 279 HZ2 LYS 41 1HZ LYS 41 -6.752 16.306 -2.184 280 HZ3 LYS 41 2HZ LYS 41 -7.513 15.500 -3.461 281 H GLU 42 H GLU 42 -8.982 10.977 1.770 282 HA GLU 42 HA GLU 42 -11.737 11.409 2.716 283 HB3 GLU 42 2HB GLU 42 -11.994 9.366 1.670 284 HG3 GLU 42 2HG GLU 42 -9.266 8.508 2.608 285 H GLY 43 H GLY 43 -8.439 10.468 3.488 286 HA2 GLY 43 2HA GLY 43 -7.393 11.232 5.502 287 HA3 GLY 43 3HA GLY 43 -8.967 11.211 6.284 288 H ILE 44 H ILE 44 -8.198 8.514 4.306 289 HA ILE 44 HA ILE 44 -8.384 6.714 6.504 290 HB ILE 44 HB ILE 44 -7.563 6.237 3.638 291 HG13 ILE 44 2HG1 ILE 44 -9.828 5.305 3.417 292 HG21 ILE 44 1HG2 ILE 44 -7.762 3.893 4.043 293 HG22 ILE 44 2HG2 ILE 44 -6.659 4.554 5.248 294 HG23 ILE 44 3HG2 ILE 44 -8.322 4.168 5.691 295 HD11 ILE 44 3HD1 ILE 44 -10.232 4.612 5.721 296 HD12 ILE 44 1HD1 ILE 44 -10.294 6.304 6.216 297 HD13 ILE 44 2HD1 ILE 44 -11.515 5.661 5.117 298 HA PRO 45 HA PRO 45 -4.152 6.695 7.778 299 HB3 PRO 45 2HB PRO 45 -4.936 5.952 9.806 300 HG3 PRO 45 2HG PRO 45 -6.806 4.578 9.939 301 HD3 PRO 45 2HD PRO 45 -7.635 6.244 8.578 302 HA PRO 46 HA PRO 46 -2.287 4.060 4.725 303 HB3 PRO 46 2HB PRO 46 -0.692 5.701 4.518 304 HG3 PRO 46 2HG PRO 46 -0.079 7.014 6.337 305 HD3 PRO 46 2HD PRO 46 -2.371 7.217 6.455 306 H ASP 47 H ASP 47 -1.259 3.943 8.119 307 HA ASP 47 HA ASP 47 0.110 1.509 8.043 308 HB3 ASP 47 2HB ASP 47 -0.931 1.510 10.560 309 H GLN 48 H GLN 48 -3.320 2.211 8.457 310 HA GLN 48 HA GLN 48 -3.911 -0.647 8.659 311 HB3 GLN 48 2HB GLN 48 -6.164 0.027 9.266 312 HG3 GLN 48 2HG GLN 48 -4.109 0.343 10.908 313 HE21 GLN 48 1HE2 GLN 48 -6.275 2.864 11.735 314 HE22 GLN 48 2HE2 GLN 48 -5.136 4.162 11.695 315 H GLN 49 H GLN 49 -3.239 1.260 6.215 316 HA GLN 49 HA GLN 49 -5.519 0.602 4.517 317 HB3 GLN 49 2HB GLN 49 -3.391 1.858 3.072 318 HG3 GLN 49 2HG GLN 49 -6.124 2.697 3.956 319 HE21 GLN 49 1HE2 GLN 49 -5.138 3.930 1.039 320 HE22 GLN 49 2HE2 GLN 49 -4.817 5.557 1.522 321 H ARG 50 H ARG 50 -5.529 -1.020 3.092 322 HA ARG 50 HA ARG 50 -3.146 -2.690 2.891 323 HB3 ARG 50 2HB ARG 50 -5.174 -3.866 3.409 324 HG3 ARG 50 2HG ARG 50 -6.324 -2.597 0.937 325 HD3 ARG 50 2HD ARG 50 -6.793 -5.082 1.213 326 HE ARG 50 HE ARG 50 -7.399 -5.605 3.360 327 HH11 ARG 50 1HH1 ARG 50 -9.150 -2.779 2.325 328 HH12 ARG 50 2HH1 ARG 50 -10.190 -2.756 3.711 329 HH21 ARG 50 1HH2 ARG 50 -8.762 -5.584 5.189 330 HH22 ARG 50 2HH2 ARG 50 -9.968 -4.351 5.340 331 H LEU 51 H LEU 51 -1.941 -2.914 1.097 332 HA LEU 51 HA LEU 51 -2.592 -1.205 -1.181 333 HB3 LEU 51 2HB LEU 51 -0.136 -2.415 -1.658 334 HG LEU 51 HG LEU 51 -0.678 0.033 -1.918 335 HD11 LEU 51 1HD1 LEU 51 -1.571 0.470 0.286 336 HD12 LEU 51 2HD1 LEU 51 -0.150 1.477 0.006 337 HD13 LEU 51 3HD1 LEU 51 -0.028 0.044 1.027 338 HD21 LEU 51 3HD2 LEU 51 1.833 -1.185 -1.015 339 HD22 LEU 51 1HD2 LEU 51 1.763 0.570 -0.854 340 HD23 LEU 51 2HD2 LEU 51 1.497 -0.182 -2.426 341 H ILE 52 H ILE 52 -3.567 -2.035 -2.895 342 HA ILE 52 HA ILE 52 -3.197 -4.901 -3.477 343 HB ILE 52 HB ILE 52 -5.582 -3.114 -3.825 344 HG13 ILE 52 2HG1 ILE 52 -5.125 -5.855 -2.632 345 HG21 ILE 52 1HG2 ILE 52 -6.567 -5.118 -5.094 346 HG22 ILE 52 2HG2 ILE 52 -5.496 -4.025 -5.968 347 HG23 ILE 52 3HG2 ILE 52 -4.890 -5.576 -5.387 348 HD11 ILE 52 3HD1 ILE 52 -4.651 -4.667 -0.810 349 HD12 ILE 52 1HD1 ILE 52 -5.281 -3.174 -1.503 350 HD13 ILE 52 2HD1 ILE 52 -6.382 -4.331 -0.753 351 H PHE 53 H PHE 53 -1.957 -5.262 -5.183 352 HA PHE 53 HA PHE 53 -2.121 -3.404 -7.461 353 HB3 PHE 53 2HB PHE 53 0.323 -4.697 -6.254 354 HD1 PHE 53 2HD PHE 53 -0.969 -2.968 -9.266 355 HD2 PHE 53 1HD PHE 53 2.313 -4.971 -7.440 356 HE1 PHE 53 2HE PHE 53 0.215 -2.987 -11.423 357 HE2 PHE 53 1HE PHE 53 3.503 -4.993 -9.594 358 HZ PHE 53 HZ PHE 53 2.453 -4.001 -11.589 359 H ALA 54 H ALA 54 -2.806 -4.351 -9.255 360 HA ALA 54 HA ALA 54 -3.413 -5.948 -10.762 361 HB1 ALA 54 1HB ALA 54 -0.722 -6.948 -9.878 362 HB2 ALA 54 2HB ALA 54 -1.649 -7.735 -11.156 363 HB3 ALA 54 3HB ALA 54 -1.137 -6.058 -11.343 364 H GLY 55 H GLY 55 -4.380 -6.252 -8.029 365 HA2 GLY 55 2HA GLY 55 -5.801 -7.772 -7.017 366 HA3 GLY 55 3HA GLY 55 -5.391 -8.932 -8.272 367 H LYS 56 H LYS 56 -2.830 -7.425 -6.508 368 HA LYS 56 HA LYS 56 -2.559 -9.788 -4.784 369 HB3 LYS 56 2HB LYS 56 -0.178 -8.560 -6.153 370 HG3 LYS 56 2HG LYS 56 -0.296 -10.404 -4.157 371 HD3 LYS 56 2HD LYS 56 -1.348 -11.990 -5.838 372 HE3 LYS 56 2HE LYS 56 0.197 -11.244 -7.703 373 HZ1 LYS 56 3HZ LYS 56 2.090 -12.762 -6.037 374 HZ2 LYS 56 1HZ LYS 56 2.329 -11.315 -6.881 375 HZ3 LYS 56 2HZ LYS 56 2.254 -12.780 -7.721 376 H GLN 57 H GLN 57 -1.911 -9.369 -2.743 377 HA GLN 57 HA GLN 57 -1.632 -6.581 -1.982 378 HB3 GLN 57 2HB GLN 57 -1.938 -9.132 -0.408 379 HG3 GLN 57 2HG GLN 57 -2.372 -7.375 1.489 380 HE21 GLN 57 1HE2 GLN 57 -0.254 -6.805 2.841 381 HE22 GLN 57 2HE2 GLN 57 0.872 -8.113 2.927 382 H LEU 58 H LEU 58 0.123 -5.715 -0.861 383 HA LEU 58 HA LEU 58 2.542 -7.361 -0.688 384 HB3 LEU 58 2HB LEU 58 2.757 -6.229 -2.787 385 HG LEU 58 HG LEU 58 1.947 -3.757 -1.320 386 HD11 LEU 58 1HD1 LEU 58 2.955 -2.799 -3.668 387 HD12 LEU 58 2HD1 LEU 58 4.172 -3.985 -3.200 388 HD13 LEU 58 3HD1 LEU 58 3.745 -2.678 -2.095 389 HD21 LEU 58 3HD2 LEU 58 0.982 -3.423 -3.724 390 HD22 LEU 58 1HD2 LEU 58 0.195 -4.526 -2.595 391 HD23 LEU 58 2HD2 LEU 58 1.250 -5.161 -3.859 392 H GLU 59 H GLU 59 4.350 -5.659 0.246 393 HA GLU 59 HA GLU 59 3.225 -4.867 2.820 394 HB3 GLU 59 2HB GLU 59 5.478 -4.852 3.642 395 HG3 GLU 59 2HG GLU 59 5.800 -7.145 1.814 396 H ASP 60 H ASP 60 5.009 -2.958 3.647 397 HA ASP 60 HA ASP 60 5.029 -0.800 1.703 398 HB3 ASP 60 2HB ASP 60 3.933 0.384 4.021 399 H GLY 61 H GLY 61 6.141 1.148 2.553 400 HA2 GLY 61 2HA GLY 61 7.476 2.049 4.433 401 HA3 GLY 61 3HA GLY 61 8.075 0.412 4.664 402 H ARG 62 H ARG 62 8.658 -0.352 2.090 403 HA ARG 62 HA ARG 62 11.041 1.233 1.599 404 HB3 ARG 62 2HB ARG 62 11.274 -0.687 -0.218 405 HG3 ARG 62 2HG ARG 62 11.527 -1.456 2.673 406 HD3 ARG 62 2HD ARG 62 12.888 -2.238 0.116 407 HE ARG 62 HE ARG 62 14.808 -2.326 1.355 408 HH11 ARG 62 1HH1 ARG 62 12.136 -3.375 3.325 409 HH12 ARG 62 2HH1 ARG 62 13.139 -3.881 4.645 410 HH21 ARG 62 1HH2 ARG 62 16.139 -2.988 3.086 411 HH22 ARG 62 2HH2 ARG 62 15.415 -3.659 4.508 412 H THR 63 H THR 63 11.671 1.685 -0.691 413 HA THR 63 HA THR 63 9.551 3.142 -1.977 414 HB THR 63 HB THR 63 11.355 3.702 -3.667 415 HG1 THR 63 1HG THR 63 13.151 2.592 -1.780 416 HG21 THR 63 3HG2 THR 63 10.856 5.215 -1.844 417 HG22 THR 63 1HG2 THR 63 12.600 5.157 -2.096 418 HG23 THR 63 2HG2 THR 63 11.874 4.280 -0.749 419 H LEU 64 H LEU 64 9.036 2.941 -4.262 420 HA LEU 64 HA LEU 64 8.333 0.312 -4.979 421 HB3 LEU 64 2HB LEU 64 7.397 1.221 -6.917 422 HG LEU 64 HG LEU 64 7.438 3.634 -5.109 423 HD11 LEU 64 1HD1 LEU 64 5.193 3.998 -6.156 424 HD12 LEU 64 2HD1 LEU 64 5.597 2.728 -7.311 425 HD13 LEU 64 3HD1 LEU 64 6.565 4.201 -7.247 426 HD21 LEU 64 3HD2 LEU 64 6.773 1.570 -3.919 427 HD22 LEU 64 1HD2 LEU 64 5.505 1.320 -5.120 428 HD23 LEU 64 2HD2 LEU 64 5.457 2.736 -4.069 429 H SER 65 H SER 65 10.918 2.453 -6.118 430 HA SER 65 HA SER 65 11.919 0.758 -8.124 431 HB3 SER 65 2HB SER 65 13.530 2.727 -6.486 432 HG SER 65 HG SER 65 13.819 2.256 -9.234 433 H GLU 66 H GLU 66 12.581 0.970 -4.672 434 HA GLU 66 HA GLU 66 14.754 -0.893 -4.728 435 HB3 GLU 66 2HB GLU 66 14.282 -0.926 -2.192 436 HG3 GLU 66 2HG GLU 66 15.086 1.428 -1.871 437 H TYR 67 H TYR 67 11.293 -1.086 -4.238 438 HA TYR 67 HA TYR 67 11.394 -3.860 -3.413 439 HB3 TYR 67 2HB TYR 67 8.795 -2.735 -4.229 440 HD1 TYR 67 1HD TYR 67 8.466 -5.257 -3.903 441 HD2 TYR 67 2HD TYR 67 9.508 -2.616 -0.735 442 HE1 TYR 67 1HE TYR 67 7.670 -6.914 -2.269 443 HE2 TYR 67 2HE TYR 67 8.715 -4.265 0.909 444 HH TYR 67 HH TYR 67 7.423 -6.161 1.137 445 H ASN 68 H ASN 68 11.607 -2.262 -6.316 446 HA ASN 68 HA ASN 68 11.547 -2.941 -8.487 447 HB3 ASN 68 2HB ASN 68 11.842 -5.236 -8.990 448 HD21 ASN 68 1HD2 ASN 68 13.584 -3.367 -8.046 449 HD22 ASN 68 2HD2 ASN 68 14.728 -4.113 -6.987 450 H ILE 69 H ILE 69 9.041 -2.529 -6.716 451 HA ILE 69 HA ILE 69 7.042 -3.926 -8.320 452 HB ILE 69 HB ILE 69 5.400 -3.077 -6.761 453 HG13 ILE 69 2HG1 ILE 69 6.423 -0.850 -6.411 454 HG21 ILE 69 1HG2 ILE 69 5.966 -4.858 -5.561 455 HG22 ILE 69 2HG2 ILE 69 7.663 -4.676 -6.002 456 HG23 ILE 69 3HG2 ILE 69 7.019 -3.816 -4.603 457 HD11 ILE 69 3HD1 ILE 69 5.689 -0.478 -4.267 458 HD12 ILE 69 1HD1 ILE 69 4.821 -1.951 -4.698 459 HD13 ILE 69 2HD1 ILE 69 6.262 -2.042 -3.685 460 H GLN 70 H GLN 70 5.208 -2.718 -9.207 461 HA GLN 70 HA GLN 70 6.133 -0.405 -10.662 462 HB3 GLN 70 2HB GLN 70 3.838 -0.542 -11.716 463 HG3 GLN 70 2HG GLN 70 5.081 -3.250 -11.854 464 HE21 GLN 70 1HE2 GLN 70 4.476 -0.398 -13.881 465 HE22 GLN 70 2HE2 GLN 70 3.541 -1.231 -15.071 466 H LYS 71 H LYS 71 2.924 -0.827 -9.224 467 HA LYS 71 HA LYS 71 1.558 0.644 -8.145 468 HB3 LYS 71 2HB LYS 71 4.064 1.588 -6.756 469 HG3 LYS 71 2HG LYS 71 1.602 0.973 -5.264 470 HD3 LYS 71 2HD LYS 71 3.596 3.240 -5.237 471 HE3 LYS 71 2HE LYS 71 2.485 3.394 -2.841 472 HZ1 LYS 71 3HZ LYS 71 0.779 4.616 -4.845 473 HZ2 LYS 71 1HZ LYS 71 2.430 4.958 -4.991 474 HZ3 LYS 71 2HZ LYS 71 1.614 5.323 -3.555 475 H GLU 72 H GLU 72 2.886 1.558 -10.625 476 HA GLU 72 HA GLU 72 2.601 4.453 -10.172 477 HB3 GLU 72 2HB GLU 72 4.959 3.923 -10.553 478 HG3 GLU 72 2HG GLU 72 4.097 2.854 -13.230 479 H SER 73 H SER 73 0.707 2.343 -11.067 480 HA SER 73 HA SER 73 -0.128 3.664 -13.549 481 HB3 SER 73 2HB SER 73 -0.966 1.206 -14.153 482 HG SER 73 HG SER 73 1.069 0.969 -15.295 483 H THR 74 H THR 74 -1.407 0.856 -11.800 484 HA THR 74 HA THR 74 -3.721 2.467 -10.973 485 HB THR 74 HB THR 74 -4.334 -0.310 -11.775 486 HG1 THR 74 1HG THR 74 -3.745 -0.086 -13.787 487 HG21 THR 74 3HG2 THR 74 -6.358 0.586 -11.516 488 HG22 THR 74 1HG2 THR 74 -6.065 1.551 -12.962 489 HG23 THR 74 2HG2 THR 74 -5.675 2.205 -11.371 490 H LEU 75 H LEU 75 -3.598 2.421 -8.819 491 HA LEU 75 HA LEU 75 -3.365 -0.201 -7.511 492 HB3 LEU 75 2HB LEU 75 -2.292 1.656 -5.726 493 HG LEU 75 HG LEU 75 -0.036 0.610 -6.343 494 HD11 LEU 75 1HD1 LEU 75 -2.348 -0.459 -4.985 495 HD12 LEU 75 2HD1 LEU 75 -0.645 -0.525 -4.534 496 HD13 LEU 75 3HD1 LEU 75 -1.319 -1.745 -5.616 497 HD21 LEU 75 3HD2 LEU 75 0.062 -1.160 -7.824 498 HD22 LEU 75 1HD2 LEU 75 -1.025 -0.047 -8.655 499 HD23 LEU 75 2HD2 LEU 75 -1.680 -1.431 -7.782 500 H HIS 76 H HIS 76 -4.834 -0.585 -5.959 501 HA HIS 76 HA HIS 76 -6.509 1.675 -5.080 502 HB3 HIS 76 2HB HIS 76 -8.432 0.385 -5.233 503 HD1 HIS 76 1HD HIS 76 -8.492 -2.179 -7.219 504 HD2 HIS 76 2HD HIS 76 -6.691 1.506 -7.881 505 HE1 HIS 76 1HE HIS 76 -8.329 -1.950 -9.718 506 H LEU 77 H LEU 77 -5.850 2.157 -3.076 507 HA LEU 77 HA LEU 77 -5.745 -0.030 -1.114 508 HB3 LEU 77 2HB LEU 77 -3.471 0.510 -1.527 509 HG LEU 77 HG LEU 77 -4.349 3.301 -1.677 510 HD11 LEU 77 1HD1 LEU 77 -3.231 3.983 0.144 511 HD12 LEU 77 2HD1 LEU 77 -1.802 3.749 -0.862 512 HD13 LEU 77 3HD1 LEU 77 -2.303 2.488 0.263 513 HD21 LEU 77 3HD2 LEU 77 -2.909 1.515 -3.210 514 HD22 LEU 77 1HD2 LEU 77 -1.678 2.611 -2.584 515 HD23 LEU 77 2HD2 LEU 77 -3.051 3.251 -3.487 516 H VAL 78 H VAL 78 -7.658 0.362 -0.118 517 HA VAL 78 HA VAL 78 -7.844 2.830 1.425 518 HB VAL 78 HB VAL 78 -10.208 1.878 -0.186 519 HG11 VAL 78 1HG1 VAL 78 -10.789 4.391 0.384 520 HG12 VAL 78 2HG1 VAL 78 -11.121 3.087 1.526 521 HG13 VAL 78 3HG1 VAL 78 -9.686 4.093 1.727 522 HG21 VAL 78 3HG2 VAL 78 -8.750 2.642 -1.846 523 HG22 VAL 78 1HG2 VAL 78 -9.759 4.043 -1.486 524 HG23 VAL 78 2HG2 VAL 78 -8.125 3.940 -0.829 525 H LEU 79 H LEU 79 -8.963 2.621 3.344 526 HA LEU 79 HA LEU 79 -9.874 -0.106 3.991 527 HB3 LEU 79 2HB LEU 79 -8.823 1.931 5.941 528 HG LEU 79 HG LEU 79 -10.138 -0.044 6.856 529 HD11 LEU 79 1HD1 LEU 79 -8.847 -2.154 7.013 530 HD12 LEU 79 2HD1 LEU 79 -7.698 -1.497 5.849 531 HD13 LEU 79 3HD1 LEU 79 -9.374 -1.771 5.374 532 HD21 LEU 79 3HD2 LEU 79 -7.881 -0.580 8.322 533 HD22 LEU 79 1HD2 LEU 79 -9.000 0.754 8.603 534 HD23 LEU 79 2HD2 LEU 79 -7.540 1.015 7.648 535 H ARG 80 H ARG 80 -12.015 -0.189 4.082 536 HA ARG 80 HA ARG 80 -14.193 0.595 4.181 537 HB3 ARG 80 2HB ARG 80 -13.858 -0.382 6.351 538 HG3 ARG 80 2HG ARG 80 -12.536 2.213 7.035 539 HD3 ARG 80 2HD ARG 80 -14.451 1.520 8.647 540 HE ARG 80 HE ARG 80 -12.939 -0.817 8.837 541 HH11 ARG 80 1HH1 ARG 80 -14.358 1.577 10.929 542 HH12 ARG 80 2HH1 ARG 80 -14.585 0.477 12.250 543 HH21 ARG 80 1HH2 ARG 80 -13.231 -2.274 10.568 544 HH22 ARG 80 2HH2 ARG 80 -13.943 -1.712 12.044 545 H LEU 81 H LEU 81 -13.356 2.454 2.714 546 HA LEU 81 HA LEU 81 -12.841 5.010 3.579 547 HB3 LEU 81 2HB LEU 81 -12.878 4.159 1.214 548 HG LEU 81 HG LEU 81 -14.768 4.255 -0.157 549 HD11 LEU 81 1HD1 LEU 81 -15.769 3.026 2.405 550 HD12 LEU 81 2HD1 LEU 81 -14.649 2.246 1.290 551 HD13 LEU 81 3HD1 LEU 81 -16.285 2.638 0.763 552 HD21 LEU 81 3HD2 LEU 81 -16.670 5.098 1.953 553 HD22 LEU 81 1HD2 LEU 81 -16.674 5.429 0.221 554 HD23 LEU 81 2HD2 LEU 81 -15.600 6.333 1.287 555 H ARG 82 H ARG 82 -14.357 6.929 3.395 556 HA ARG 82 HA ARG 82 -17.045 6.320 4.396 557 HB3 ARG 82 2HB ARG 82 -16.739 8.240 6.038 558 HG3 ARG 82 2HG ARG 82 -15.495 6.922 7.714 559 HD3 ARG 82 2HD ARG 82 -17.323 5.112 6.161 560 HE ARG 82 HE ARG 82 -16.390 5.102 8.854 561 HH11 ARG 82 1HH1 ARG 82 -19.133 4.372 6.840 562 HH12 ARG 82 2HH1 ARG 82 -19.775 3.179 7.921 563 HH21 ARG 82 1HH2 ARG 82 -17.222 3.534 10.285 564 HH22 ARG 82 2HH2 ARG 82 -18.687 2.704 9.881 565 H GLY 83 H GLY 83 -15.122 9.292 3.976 566 HA2 GLY 83 2HA GLY 83 -16.555 10.081 1.622 567 HA3 GLY 83 3HA GLY 83 -17.112 10.934 3.054 568 H TYR 84 H TYR 84 -16.368 12.951 2.674 569 HA TYR 84 HA TYR 84 -13.495 13.260 2.113 570 HB3 TYR 84 2HB TYR 84 -15.013 14.250 0.433 571 HD1 TYR 84 1HD TYR 84 -15.038 17.004 2.878 572 HD2 TYR 84 2HD TYR 84 -17.398 14.237 0.669 573 HE1 TYR 84 1HE TYR 84 -17.063 18.267 3.471 574 HE2 TYR 84 2HE TYR 84 -19.429 15.494 1.255 575 HH TYR 84 HH TYR 84 -19.300 18.289 3.427 576 H ALA 85 H ALA 85 -12.745 15.553 2.963 577 HA ALA 85 HA ALA 85 -13.723 15.928 5.710 578 HB1 ALA 85 1HB ALA 85 -11.790 14.581 5.994 579 HB2 ALA 85 2HB ALA 85 -10.860 15.559 4.858 580 HB3 ALA 85 3HB ALA 85 -11.330 16.229 6.419 581 H ASP 86 H ASP 86 -12.271 17.936 6.612 582 HA ASP 86 HA ASP 86 -13.179 20.168 5.075 583 HB3 ASP 86 2HB ASP 86 -13.190 20.255 7.512 584 H LEU 87 H LEU 87 -11.644 22.063 4.688 585 HA LEU 87 HA LEU 87 -9.137 21.048 3.515 586 HB3 LEU 87 2HB LEU 87 -9.367 22.852 1.834 587 HG LEU 87 HG LEU 87 -10.917 21.871 0.384 588 HD11 LEU 87 1HD1 LEU 87 -10.398 19.595 0.456 589 HD12 LEU 87 2HD1 LEU 87 -10.343 19.568 2.218 590 HD13 LEU 87 3HD1 LEU 87 -9.064 20.370 1.309 591 HD21 LEU 87 3HD2 LEU 87 -13.009 21.454 0.991 592 HD22 LEU 87 1HD2 LEU 87 -12.581 21.804 2.666 593 HD23 LEU 87 2HD2 LEU 87 -12.466 20.154 2.053 594 H ARG 88 H ARG 88 -9.560 22.131 6.194 595 HA ARG 88 HA ARG 88 -8.555 24.808 6.250 596 HB3 ARG 88 2HB ARG 88 -8.374 22.936 8.584 597 HG3 ARG 88 2HG ARG 88 -9.418 25.025 9.679 598 HD3 ARG 88 2HD ARG 88 -6.595 25.083 8.618 599 HE ARG 88 HE ARG 88 -6.568 27.062 9.757 600 HH11 ARG 88 1HH1 ARG 88 -8.510 24.774 11.523 601 HH12 ARG 88 2HH1 ARG 88 -8.720 25.814 12.894 602 HH21 ARG 88 1HH2 ARG 88 -6.837 28.438 11.556 603 HH22 ARG 88 2HH2 ARG 88 -7.767 27.898 12.911 604 H GLU 89 H GLU 89 -7.117 21.776 7.470 605 HA GLU 89 HA GLU 89 -4.486 22.807 6.640 606 HB3 GLU 89 2HB GLU 89 -3.755 21.268 8.691 607 HG3 GLU 89 2HG GLU 89 -4.861 23.906 9.505 608 H ASP 90 H ASP 90 -2.997 21.306 5.868 609 HA ASP 90 HA ASP 90 -4.107 18.638 5.282 610 HB3 ASP 90 2HB ASP 90 -3.975 19.538 3.166 611 HA PRO 91 HA PRO 91 -0.631 16.743 7.165 612 HB3 PRO 91 2HB PRO 91 -1.545 14.715 6.588 613 HG3 PRO 91 2HG PRO 91 -2.618 14.420 4.546 614 HD3 PRO 91 2HD PRO 91 -3.669 16.338 5.273 615 H ASP 92 H ASP 92 -0.378 17.843 3.893 616 HA ASP 92 HA ASP 92 2.439 18.403 4.274 617 HB3 ASP 92 2HB ASP 92 2.334 16.090 3.292 618 H ARG 93 H ARG 93 2.951 20.312 3.401 619 HA ARG 93 HA ARG 93 1.083 22.047 2.341 620 HB3 ARG 93 2HB ARG 93 3.133 22.902 3.238 621 HG3 ARG 93 2HG ARG 93 4.422 21.138 1.235 622 HD3 ARG 93 2HD ARG 93 5.467 23.827 2.089 623 HE ARG 93 HE ARG 93 7.063 21.620 1.990 624 HH11 ARG 93 1HH1 ARG 93 6.786 24.533 0.104 625 HH12 ARG 93 2HH1 ARG 93 8.466 24.574 -0.320 626 HH21 ARG 93 1HH2 ARG 93 9.277 21.663 1.439 627 HH22 ARG 93 2HH2 ARG 93 9.881 22.940 0.440 628 H GLN 94 H GLN 94 0.443 22.653 0.311 629 HA GLN 94 HA GLN 94 0.568 20.702 -1.739 630 HB3 GLN 94 2HB GLN 94 -1.364 22.154 -1.513 631 HG3 GLN 94 2HG GLN 94 -0.010 24.497 -2.692 632 HE21 GLN 94 1HE2 GLN 94 -1.719 25.658 -3.200 633 HE22 GLN 94 2HE2 GLN 94 -3.111 25.910 -2.209 634 H ASP 95 H ASP 95 1.852 20.510 -3.484 635 HA ASP 95 HA ASP 95 3.721 22.691 -4.100 636 HB3 ASP 95 2HB ASP 95 5.411 20.762 -4.571 637 H HIS 96 H HIS 96 2.188 23.074 -5.829 638 HA HIS 96 HA HIS 96 1.955 21.052 -7.895 639 HB3 HIS 96 2HB HIS 96 1.002 23.892 -8.153 640 HD1 HIS 96 1HD HIS 96 0.772 20.350 -9.290 641 HD2 HIS 96 2HD HIS 96 -1.124 23.979 -9.993 642 HE1 HIS 96 1HE HIS 96 -0.627 19.990 -11.348 643 H HIS 97 H HIS 97 2.717 21.272 -10.021 644 HA HIS 97 HA HIS 97 4.167 23.438 -11.027 645 HB3 HIS 97 2HB HIS 97 5.888 23.078 -9.447 646 HD1 HIS 97 1HD HIS 97 6.774 19.802 -10.980 647 HD2 HIS 97 2HD HIS 97 5.292 21.257 -7.382 648 HE1 HIS 97 1HE HIS 97 6.945 17.886 -9.360 649 HA PRO 98 HA PRO 98 2.990 19.938 -13.882 650 HB3 PRO 98 2HB PRO 98 0.806 20.640 -14.024 651 HG3 PRO 98 2HG PRO 98 0.217 22.836 -13.539 652 HD3 PRO 98 2HD PRO 98 1.468 22.339 -11.669 653 H GLY 99 H GLY 99 2.871 20.327 -16.480 654 HA2 GLY 99 2HA GLY 99 4.162 22.183 -17.908 655 HA3 GLY 99 3HA GLY 99 5.508 21.369 -17.124 656 H SER 100 H SER 100 2.861 21.008 -19.396 657 HA SER 100 HA SER 100 4.324 19.245 -21.050 658 HB3 SER 100 2HB SER 100 3.757 17.653 -19.219 659 HG SER 100 HG SER 100 1.138 17.420 -19.949 660 H GLY 101 H GLY 101 3.022 18.470 -22.908 661 HA2 GLY 101 2HA GLY 101 0.403 19.643 -23.276 662 HA3 GLY 101 3HA GLY 101 1.672 20.395 -24.233 663 H ALA 102 H ALA 102 0.185 19.625 -25.982 664 HA ALA 102 HA ALA 102 1.295 17.307 -27.202 665 HB1 ALA 102 1HB ALA 102 -1.561 17.099 -26.257 666 HB2 ALA 102 2HB ALA 102 -0.755 15.962 -27.338 667 HB3 ALA 102 3HB ALA 102 -0.195 16.148 -25.676 668 H GLN 103 H GLN 103 -0.313 16.699 -29.178 669 HA GLN 103 HA GLN 103 -0.242 18.895 -30.900 670 HB3 GLN 103 2HB GLN 103 -0.299 16.439 -31.524 671 HG3 GLN 103 2HG GLN 103 -2.499 15.494 -32.053 672 HE21 GLN 103 1HE2 GLN 103 -0.659 14.513 -30.585 673 HE22 GLN 103 2HE2 GLN 103 -1.180 14.108 -28.988 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -17.787 20.267 -2.657 2 HA2 GLY 1 2HA GLY 1 -18.207 22.893 -1.886 3 HA3 GLY 1 3HA GLY 1 -16.727 21.996 -1.580 4 H SER 2 H SER 2 -17.957 22.789 -4.774 5 HA SER 2 HA SER 2 -17.008 23.921 -6.510 6 HB3 SER 2 2HB SER 2 -17.673 25.765 -4.787 7 HG SER 2 HG SER 2 -15.813 26.996 -4.170 8 H LEU 3 H LEU 3 -15.393 21.893 -5.213 9 HA LEU 3 HA LEU 3 -12.730 22.682 -4.847 10 HB3 LEU 3 2HB LEU 3 -13.682 20.495 -4.188 11 HG LEU 3 HG LEU 3 -13.789 20.019 -7.124 12 HD11 LEU 3 1HD1 LEU 3 -13.754 17.502 -6.395 13 HD12 LEU 3 2HD1 LEU 3 -12.721 18.110 -5.101 14 HD13 LEU 3 3HD1 LEU 3 -12.257 18.349 -6.786 15 HD21 LEU 3 3HD2 LEU 3 -15.583 18.382 -5.987 16 HD22 LEU 3 1HD2 LEU 3 -15.919 20.070 -6.371 17 HD23 LEU 3 2HD2 LEU 3 -15.468 19.612 -4.728 18 H VAL 4 H VAL 4 -10.957 22.746 -6.205 19 HA VAL 4 HA VAL 4 -11.581 22.807 -9.085 20 HB VAL 4 HB VAL 4 -10.958 25.005 -8.254 21 HG11 VAL 4 1HG1 VAL 4 -8.793 25.451 -7.266 22 HG12 VAL 4 2HG1 VAL 4 -9.652 24.246 -6.306 23 HG13 VAL 4 3HG1 VAL 4 -8.355 23.748 -7.393 24 HG21 VAL 4 3HG2 VAL 4 -8.995 25.426 -9.729 25 HG22 VAL 4 1HG2 VAL 4 -8.833 23.681 -9.932 26 HG23 VAL 4 2HG2 VAL 4 -10.284 24.504 -10.503 27 HA PRO 5 HA PRO 5 -8.791 19.401 -9.513 28 HB3 PRO 5 2HB PRO 5 -9.979 18.878 -11.408 29 HG3 PRO 5 2HG PRO 5 -10.933 20.541 -12.724 30 HD3 PRO 5 2HD PRO 5 -11.706 21.183 -10.650 31 H ARG 6 H ARG 6 -6.725 19.589 -8.920 32 HA ARG 6 HA ARG 6 -4.736 20.599 -10.638 33 HB3 ARG 6 2HB ARG 6 -5.424 22.350 -8.273 34 HG3 ARG 6 2HG ARG 6 -3.022 22.322 -10.058 35 HD3 ARG 6 2HD ARG 6 -3.599 24.674 -8.335 36 HE ARG 6 HE ARG 6 -1.614 25.102 -9.397 37 HH11 ARG 6 1HH1 ARG 6 -3.915 23.884 -11.709 38 HH12 ARG 6 2HH1 ARG 6 -2.906 24.210 -13.080 39 HH21 ARG 6 1HH2 ARG 6 -0.276 25.534 -11.192 40 HH22 ARG 6 2HH2 ARG 6 -0.836 25.146 -12.784 41 H GLY 7 H GLY 7 -3.079 19.299 -10.232 42 HA2 GLY 7 2HA GLY 7 -2.045 18.959 -7.573 43 HA3 GLY 7 3HA GLY 7 -2.828 17.509 -8.185 44 H SER 8 H SER 8 -0.368 17.028 -7.634 45 HA SER 8 HA SER 8 1.251 17.491 -10.042 46 HB3 SER 8 2HB SER 8 3.181 17.115 -8.738 47 HG SER 8 HG SER 8 1.221 18.420 -7.162 48 H MET 9 H MET 9 0.743 14.862 -7.678 49 HA MET 9 HA MET 9 1.118 12.936 -9.867 50 HB3 MET 9 2HB MET 9 2.048 11.466 -8.381 51 HG3 MET 9 2HG MET 9 3.393 12.548 -6.671 52 HE1 MET 9 3HE MET 9 4.016 11.339 -8.860 53 HE2 MET 9 1HE MET 9 3.660 12.100 -10.411 54 HE3 MET 9 2HE MET 9 5.307 12.114 -9.781 55 H GLN 10 H GLN 10 -0.497 11.632 -10.489 56 HA GLN 10 HA GLN 10 -2.889 11.457 -8.787 57 HB3 GLN 10 2HB GLN 10 -4.265 11.538 -10.886 58 HG3 GLN 10 2HG GLN 10 -2.812 14.101 -10.948 59 HE21 GLN 10 1HE2 GLN 10 -4.269 15.841 -11.031 60 HE22 GLN 10 2HE2 GLN 10 -5.931 15.604 -11.439 61 H ILE 11 H ILE 11 -4.029 9.525 -8.877 62 HA ILE 11 HA ILE 11 -3.080 7.416 -10.650 63 HB ILE 11 HB ILE 11 -1.936 7.539 -8.199 64 HG13 ILE 11 2HG1 ILE 11 -1.289 6.056 -10.045 65 HG21 ILE 11 1HG2 ILE 11 -2.976 6.155 -6.627 66 HG22 ILE 11 2HG2 ILE 11 -4.281 7.165 -7.249 67 HG23 ILE 11 3HG2 ILE 11 -4.106 5.504 -7.814 68 HD11 ILE 11 3HD1 ILE 11 -1.514 3.875 -8.232 69 HD12 ILE 11 1HD1 ILE 11 -0.093 4.833 -8.652 70 HD13 ILE 11 2HD1 ILE 11 -1.142 5.342 -7.328 71 H PHE 12 H PHE 12 -4.401 5.351 -10.241 72 HA PHE 12 HA PHE 12 -7.203 6.156 -9.865 73 HB3 PHE 12 2HB PHE 12 -7.007 3.572 -11.053 74 HD1 PHE 12 1HD PHE 12 -9.259 5.214 -10.409 75 HD2 PHE 12 2HD PHE 12 -6.812 5.274 -13.891 76 HE1 PHE 12 1HE PHE 12 -11.126 6.161 -11.702 77 HE2 PHE 12 2HE PHE 12 -8.675 6.221 -15.189 78 HZ PHE 12 HZ PHE 12 -10.836 6.664 -14.096 79 H VAL 13 H VAL 13 -8.207 5.488 -8.096 80 HA VAL 13 HA VAL 13 -7.438 2.918 -6.899 81 HB VAL 13 HB VAL 13 -7.945 5.429 -5.299 82 HG11 VAL 13 1HG1 VAL 13 -8.133 2.707 -4.604 83 HG12 VAL 13 2HG1 VAL 13 -6.649 3.317 -3.868 84 HG13 VAL 13 3HG1 VAL 13 -8.191 4.107 -3.533 85 HG21 VAL 13 3HG2 VAL 13 -5.491 4.264 -6.418 86 HG22 VAL 13 1HG2 VAL 13 -5.830 5.912 -5.889 87 HG23 VAL 13 2HG2 VAL 13 -5.406 4.676 -4.705 88 H LYS 14 H LYS 14 -9.109 1.672 -6.301 89 HA LYS 14 HA LYS 14 -11.792 2.893 -6.295 90 HB3 LYS 14 2HB LYS 14 -12.616 0.642 -7.046 91 HG3 LYS 14 2HG LYS 14 -11.854 2.629 -8.617 92 HD3 LYS 14 2HD LYS 14 -10.153 0.367 -9.638 93 HE3 LYS 14 2HE LYS 14 -10.117 3.311 -10.284 94 HZ1 LYS 14 3HZ LYS 14 -8.125 1.806 -10.740 95 HZ2 LYS 14 1HZ LYS 14 -8.708 2.746 -12.021 96 HZ3 LYS 14 2HZ LYS 14 -9.083 1.100 -11.942 97 H THR 15 H THR 15 -12.702 2.884 -4.358 98 HA THR 15 HA THR 15 -11.671 1.327 -2.194 99 HB THR 15 HB THR 15 -13.354 2.369 -0.823 100 HG1 THR 15 1HG THR 15 -14.539 3.034 -3.317 101 HG21 THR 15 3HG2 THR 15 -13.034 4.813 -1.533 102 HG22 THR 15 1HG2 THR 15 -12.080 4.167 -2.867 103 HG23 THR 15 2HG2 THR 15 -11.585 3.865 -1.202 104 H LEU 16 H LEU 16 -13.608 0.355 -0.719 105 HA LEU 16 HA LEU 16 -14.445 -1.988 -2.140 106 HB3 LEU 16 2HB LEU 16 -15.230 -2.792 -0.047 107 HG LEU 16 HG LEU 16 -12.613 -1.566 -0.086 108 HD11 LEU 16 1HD1 LEU 16 -13.133 -0.296 1.802 109 HD12 LEU 16 2HD1 LEU 16 -12.379 -1.750 2.454 110 HD13 LEU 16 3HD1 LEU 16 -14.133 -1.571 2.499 111 HD21 LEU 16 3HD2 LEU 16 -12.388 -3.681 1.533 112 HD22 LEU 16 1HD2 LEU 16 -12.487 -3.824 -0.223 113 HD23 LEU 16 2HD2 LEU 16 -13.927 -4.077 0.764 114 H THR 17 H THR 17 -15.961 0.968 -1.052 115 HA THR 17 HA THR 17 -18.639 0.032 -1.611 116 HB THR 17 HB THR 17 -18.123 1.706 0.193 117 HG1 THR 17 1HG THR 17 -20.121 2.392 -0.058 118 HG21 THR 17 3HG2 THR 17 -17.851 3.629 -2.118 119 HG22 THR 17 1HG2 THR 17 -16.502 3.036 -1.150 120 HG23 THR 17 2HG2 THR 17 -17.763 4.016 -0.401 121 H GLY 18 H GLY 18 -16.151 1.901 -3.213 122 HA2 GLY 18 2HA GLY 18 -16.396 1.655 -5.727 123 HA3 GLY 18 3HA GLY 18 -17.990 2.351 -5.477 124 H LYS 19 H LYS 19 -16.299 3.901 -3.248 125 HA LYS 19 HA LYS 19 -16.194 6.338 -4.659 126 HB3 LYS 19 2HB LYS 19 -14.792 7.062 -2.619 127 HG3 LYS 19 2HG LYS 19 -16.711 6.860 -1.035 128 HD3 LYS 19 2HD LYS 19 -17.712 7.693 -3.739 129 HE3 LYS 19 2HE LYS 19 -17.884 9.105 -1.088 130 HZ1 LYS 19 3HZ LYS 19 -18.956 10.629 -2.256 131 HZ2 LYS 19 1HZ LYS 19 -20.071 9.481 -2.804 132 HZ3 LYS 19 2HZ LYS 19 -18.656 9.771 -3.683 133 H THR 20 H THR 20 -14.416 7.593 -5.322 134 HA THR 20 HA THR 20 -11.959 6.045 -5.832 135 HB THR 20 HB THR 20 -11.872 7.979 -7.743 136 HG1 THR 20 1HG THR 20 -14.574 7.121 -7.766 137 HG21 THR 20 3HG2 THR 20 -12.795 6.159 -9.278 138 HG22 THR 20 1HG2 THR 20 -13.002 5.192 -7.819 139 HG23 THR 20 2HG2 THR 20 -11.394 5.738 -8.294 140 H ILE 21 H ILE 21 -10.065 6.917 -5.221 141 HA ILE 21 HA ILE 21 -10.025 9.751 -4.431 142 HB ILE 21 HB ILE 21 -8.418 9.048 -2.586 143 HG13 ILE 21 2HG1 ILE 21 -8.240 6.842 -1.922 144 HG21 ILE 21 1HG2 ILE 21 -11.328 8.273 -2.448 145 HG22 ILE 21 2HG2 ILE 21 -10.275 8.453 -1.045 146 HG23 ILE 21 3HG2 ILE 21 -10.624 9.845 -2.070 147 HD11 ILE 21 3HD1 ILE 21 -10.313 5.972 -1.557 148 HD12 ILE 21 1HD1 ILE 21 -10.926 6.477 -3.131 149 HD13 ILE 21 2HD1 ILE 21 -9.853 5.082 -3.008 150 H THR 22 H THR 22 -8.354 10.882 -5.202 151 HA THR 22 HA THR 22 -6.447 9.574 -6.922 152 HB THR 22 HB THR 22 -6.028 12.425 -6.276 153 HG1 THR 22 1HG THR 22 -7.902 13.086 -7.334 154 HG21 THR 22 3HG2 THR 22 -4.856 11.262 -8.101 155 HG22 THR 22 1HG2 THR 22 -5.841 12.596 -8.700 156 HG23 THR 22 2HG2 THR 22 -6.405 10.935 -8.876 157 H LEU 23 H LEU 23 -4.567 8.778 -6.274 158 HA LEU 23 HA LEU 23 -3.315 9.909 -3.858 159 HB3 LEU 23 2HB LEU 23 -2.455 7.783 -3.309 160 HG LEU 23 HG LEU 23 -5.115 6.892 -4.365 161 HD11 LEU 23 1HD1 LEU 23 -3.548 5.355 -3.139 162 HD12 LEU 23 2HD1 LEU 23 -5.151 5.529 -2.427 163 HD13 LEU 23 3HD1 LEU 23 -3.776 6.377 -1.720 164 HD21 LEU 23 3HD2 LEU 23 -6.016 8.728 -3.432 165 HD22 LEU 23 1HD2 LEU 23 -4.569 9.088 -2.490 166 HD23 LEU 23 2HD2 LEU 23 -5.716 7.878 -1.914 167 H GLU 24 H GLU 24 -0.959 9.840 -3.795 168 HA GLU 24 HA GLU 24 0.158 10.432 -6.431 169 HB3 GLU 24 2HB GLU 24 0.394 12.066 -4.548 170 HG3 GLU 24 2HG GLU 24 2.219 9.952 -3.432 171 H VAL 25 H VAL 25 2.102 9.517 -7.168 172 HA VAL 25 HA VAL 25 3.207 7.260 -5.687 173 HB VAL 25 HB VAL 25 3.168 5.963 -7.948 174 HG11 VAL 25 1HG1 VAL 25 0.530 6.137 -6.532 175 HG12 VAL 25 2HG1 VAL 25 1.348 4.717 -7.188 176 HG13 VAL 25 3HG1 VAL 25 1.960 5.492 -5.727 177 HG21 VAL 25 3HG2 VAL 25 1.191 6.384 -9.305 178 HG22 VAL 25 1HG2 VAL 25 0.765 7.756 -8.284 179 HG23 VAL 25 2HG2 VAL 25 2.228 7.810 -9.265 180 H GLU 26 H GLU 26 5.326 6.765 -6.217 181 HA GLU 26 HA GLU 26 6.644 7.880 -8.494 182 HB3 GLU 26 2HB GLU 26 8.208 9.002 -6.456 183 HG3 GLU 26 2HG GLU 26 6.847 9.882 -8.814 184 HA PRO 27 HA PRO 27 9.455 4.615 -7.666 185 HB3 PRO 27 2HB PRO 27 10.402 5.060 -9.711 186 HG3 PRO 27 2HG PRO 27 10.631 7.243 -10.478 187 HD3 PRO 27 2HD PRO 27 8.410 7.270 -9.863 188 H SER 28 H SER 28 10.162 7.803 -6.466 189 HA SER 28 HA SER 28 12.085 6.675 -4.544 190 HB3 SER 28 2HB SER 28 13.323 8.537 -4.777 191 HG SER 28 HG SER 28 13.164 8.747 -6.866 192 H ASP 29 H ASP 29 8.944 7.888 -4.876 193 HA ASP 29 HA ASP 29 8.743 8.654 -2.058 194 HB3 ASP 29 2HB ASP 29 6.598 9.595 -2.604 195 H THR 30 H THR 30 7.675 7.481 -0.564 196 HA THR 30 HA THR 30 6.535 4.915 -1.453 197 HB THR 30 HB THR 30 8.519 4.801 0.072 198 HG1 THR 30 1HG THR 30 7.368 3.334 1.582 199 HG21 THR 30 3HG2 THR 30 7.075 6.743 1.513 200 HG22 THR 30 1HG2 THR 30 8.616 6.005 1.945 201 HG23 THR 30 2HG2 THR 30 7.107 5.296 2.519 202 H ILE 31 H ILE 31 4.879 4.045 0.206 203 HA ILE 31 HA ILE 31 2.582 5.572 0.106 204 HB ILE 31 HB ILE 31 3.159 3.514 2.236 205 HG13 ILE 31 2HG1 ILE 31 2.109 1.918 0.583 206 HG21 ILE 31 1HG2 ILE 31 1.064 3.885 2.861 207 HG22 ILE 31 2HG2 ILE 31 0.863 5.076 1.578 208 HG23 ILE 31 3HG2 ILE 31 0.517 3.377 1.264 209 HD11 ILE 31 3HD1 ILE 31 2.967 3.699 -1.621 210 HD12 ILE 31 1HD1 ILE 31 1.776 2.400 -1.608 211 HD13 ILE 31 2HD1 ILE 31 1.377 3.969 -0.908 212 H GLU 32 H GLU 32 5.164 5.652 2.429 213 HA GLU 32 HA GLU 32 3.964 6.787 4.638 214 HB3 GLU 32 2HB GLU 32 6.671 7.551 3.536 215 HG3 GLU 32 2HG GLU 32 5.824 7.338 6.410 216 H ASN 33 H ASN 33 5.425 8.526 1.890 217 HA ASN 33 HA ASN 33 4.404 11.057 2.788 218 HB3 ASN 33 2HB ASN 33 5.377 10.648 -0.007 219 HD21 ASN 33 1HD2 ASN 33 6.805 12.285 2.750 220 HD22 ASN 33 2HD2 ASN 33 6.549 13.891 2.165 221 H VAL 34 H VAL 34 3.380 8.550 0.604 222 HA VAL 34 HA VAL 34 1.515 10.036 -0.909 223 HB VAL 34 HB VAL 34 1.333 7.099 -0.232 224 HG11 VAL 34 1HG1 VAL 34 0.182 6.945 -2.393 225 HG12 VAL 34 2HG1 VAL 34 -0.666 8.014 -1.274 226 HG13 VAL 34 3HG1 VAL 34 0.308 8.695 -2.579 227 HG21 VAL 34 3HG2 VAL 34 2.474 7.513 -2.789 228 HG22 VAL 34 1HG2 VAL 34 3.381 8.493 -1.638 229 HG23 VAL 34 2HG2 VAL 34 3.208 6.757 -1.374 230 H LYS 35 H LYS 35 1.333 8.451 2.210 231 HA LYS 35 HA LYS 35 -1.391 8.282 2.605 232 HB3 LYS 35 2HB LYS 35 0.691 7.711 4.146 233 HG3 LYS 35 2HG LYS 35 -0.319 10.301 5.307 234 HD3 LYS 35 2HD LYS 35 0.002 8.431 6.961 235 HE3 LYS 35 2HE LYS 35 2.186 7.781 5.496 236 HZ1 LYS 35 3HZ LYS 35 3.588 9.525 6.125 237 HZ2 LYS 35 1HZ LYS 35 4.066 8.234 7.109 238 HZ3 LYS 35 2HZ LYS 35 3.102 9.470 7.745 239 H ALA 36 H ALA 36 0.637 11.103 2.539 240 HA ALA 36 HA ALA 36 -1.123 12.892 3.853 241 HB1 ALA 36 1HB ALA 36 0.405 14.338 1.975 242 HB2 ALA 36 2HB ALA 36 0.694 14.156 3.706 243 HB3 ALA 36 3HB ALA 36 1.422 13.025 2.567 244 H LYS 37 H LYS 37 -0.548 12.203 0.411 245 HA LYS 37 HA LYS 37 -2.366 14.031 -0.655 246 HB3 LYS 37 2HB LYS 37 -2.486 12.102 -2.505 247 HG3 LYS 37 2HG LYS 37 0.166 12.905 -2.785 248 HD3 LYS 37 2HD LYS 37 -2.125 13.046 -4.222 249 HE3 LYS 37 2HE LYS 37 -1.610 15.729 -3.048 250 HZ1 LYS 37 3HZ LYS 37 -3.065 16.220 -5.310 251 HZ2 LYS 37 1HZ LYS 37 -1.785 15.259 -5.858 252 HZ3 LYS 37 2HZ LYS 37 -1.467 16.698 -5.027 253 H ILE 38 H ILE 38 -2.850 10.596 0.148 254 HA ILE 38 HA ILE 38 -5.606 10.579 -0.529 255 HB ILE 38 HB ILE 38 -4.391 8.499 -0.483 256 HG13 ILE 38 2HG1 ILE 38 -6.303 8.407 1.851 257 HG21 ILE 38 1HG2 ILE 38 -4.006 9.009 2.464 258 HG22 ILE 38 2HG2 ILE 38 -3.568 7.526 1.618 259 HG23 ILE 38 3HG2 ILE 38 -2.752 9.039 1.223 260 HD11 ILE 38 3HD1 ILE 38 -6.863 9.129 -0.931 261 HD12 ILE 38 1HD1 ILE 38 -7.853 7.821 -0.284 262 HD13 ILE 38 2HD1 ILE 38 -7.817 9.386 0.530 263 H GLN 39 H GLN 39 -3.833 11.183 2.448 264 HA GLN 39 HA GLN 39 -5.846 11.023 4.325 265 HB3 GLN 39 2HB GLN 39 -3.483 12.884 4.133 266 HG3 GLN 39 2HG GLN 39 -5.359 12.515 6.454 267 HE21 GLN 39 1HE2 GLN 39 -4.642 14.533 7.976 268 HE22 GLN 39 2HE2 GLN 39 -3.015 14.378 8.538 269 H ASP 40 H ASP 40 -5.193 13.567 2.001 270 HA ASP 40 HA ASP 40 -7.086 15.409 3.123 271 HB3 ASP 40 2HB ASP 40 -6.197 15.610 0.280 272 H LYS 41 H LYS 41 -7.170 12.830 0.801 273 HA LYS 41 HA LYS 41 -9.600 13.576 -0.482 274 HB3 LYS 41 2HB LYS 41 -9.526 10.932 -0.915 275 HG3 LYS 41 2HG LYS 41 -9.128 12.834 -2.563 276 HD3 LYS 41 2HD LYS 41 -6.268 12.089 -2.548 277 HE3 LYS 41 2HE LYS 41 -5.975 14.302 -3.377 278 HZ1 LYS 41 3HZ LYS 41 -8.488 13.905 -4.724 279 HZ2 LYS 41 1HZ LYS 41 -7.527 12.513 -4.671 280 HZ3 LYS 41 2HZ LYS 41 -6.916 13.936 -5.352 281 H GLU 42 H GLU 42 -8.893 11.003 1.891 282 HA GLU 42 HA GLU 42 -11.647 11.307 2.888 283 HB3 GLU 42 2HB GLU 42 -11.852 9.269 1.824 284 HG3 GLU 42 2HG GLU 42 -8.995 8.718 2.565 285 H GLY 43 H GLY 43 -8.297 10.507 3.578 286 HA2 GLY 43 2HA GLY 43 -7.224 11.249 5.573 287 HA3 GLY 43 3HA GLY 43 -8.782 11.218 6.385 288 H ILE 44 H ILE 44 -8.188 8.497 4.438 289 HA ILE 44 HA ILE 44 -8.200 6.746 6.682 290 HB ILE 44 HB ILE 44 -8.017 6.389 3.729 291 HG13 ILE 44 2HG1 ILE 44 -9.727 5.084 5.859 292 HG21 ILE 44 1HG2 ILE 44 -7.763 3.901 4.153 293 HG22 ILE 44 2HG2 ILE 44 -6.311 4.884 4.337 294 HG23 ILE 44 3HG2 ILE 44 -7.192 4.336 5.763 295 HD11 ILE 44 3HD1 ILE 44 -11.466 6.563 4.484 296 HD12 ILE 44 1HD1 ILE 44 -10.676 7.125 5.957 297 HD13 ILE 44 2HD1 ILE 44 -10.053 7.613 4.380 298 HA PRO 45 HA PRO 45 -3.830 6.831 7.479 299 HB3 PRO 45 2HB PRO 45 -4.389 6.519 9.685 300 HG3 PRO 45 2HG PRO 45 -6.291 5.321 10.282 301 HD3 PRO 45 2HD PRO 45 -7.203 6.771 8.739 302 HA PRO 46 HA PRO 46 -2.388 3.583 4.835 303 HB3 PRO 46 2HB PRO 46 -0.640 4.987 4.332 304 HG3 PRO 46 2HG PRO 46 0.214 6.456 5.919 305 HD3 PRO 46 2HD PRO 46 -2.033 6.935 6.104 306 H ASP 47 H ASP 47 -1.172 3.811 8.162 307 HA ASP 47 HA ASP 47 -0.105 1.228 8.356 308 HB3 ASP 47 2HB ASP 47 -0.611 1.580 10.875 309 H GLN 48 H GLN 48 -3.347 2.292 8.214 310 HA GLN 48 HA GLN 48 -4.318 -0.286 9.246 311 HB3 GLN 48 2HB GLN 48 -6.397 0.736 9.706 312 HG3 GLN 48 2HG GLN 48 -5.950 2.592 11.119 313 HE21 GLN 48 1HE2 GLN 48 -5.758 -0.108 11.450 314 HE22 GLN 48 2HE2 GLN 48 -4.420 -0.480 12.477 315 H GLN 49 H GLN 49 -4.129 1.746 6.445 316 HA GLN 49 HA GLN 49 -6.104 0.300 4.932 317 HB3 GLN 49 2HB GLN 49 -5.130 2.782 4.687 318 HG3 GLN 49 2HG GLN 49 -3.718 1.329 2.472 319 HE21 GLN 49 1HE2 GLN 49 -1.590 3.228 2.634 320 HE22 GLN 49 2HE2 GLN 49 -2.190 4.723 2.010 321 H ARG 50 H ARG 50 -5.797 -1.295 3.453 322 HA ARG 50 HA ARG 50 -3.203 -2.625 3.509 323 HB3 ARG 50 2HB ARG 50 -4.294 -4.569 2.905 324 HG3 ARG 50 2HG ARG 50 -6.756 -3.229 3.937 325 HD3 ARG 50 2HD ARG 50 -6.794 -5.636 3.441 326 HE ARG 50 HE ARG 50 -4.275 -5.781 4.506 327 HH11 ARG 50 1HH1 ARG 50 -7.321 -7.360 5.096 328 HH12 ARG 50 2HH1 ARG 50 -6.600 -8.841 5.629 329 HH21 ARG 50 1HH2 ARG 50 -3.313 -7.727 5.206 330 HH22 ARG 50 2HH2 ARG 50 -4.319 -9.049 5.692 331 H LEU 51 H LEU 51 -1.968 -3.061 1.704 332 HA LEU 51 HA LEU 51 -2.479 -1.327 -0.587 333 HB3 LEU 51 2HB LEU 51 -0.032 -3.013 -0.181 334 HG LEU 51 HG LEU 51 -0.413 -1.538 -2.291 335 HD11 LEU 51 1HD1 LEU 51 0.303 0.757 -2.053 336 HD12 LEU 51 2HD1 LEU 51 0.507 0.544 -0.315 337 HD13 LEU 51 3HD1 LEU 51 -1.102 0.462 -1.030 338 HD21 LEU 51 3HD2 LEU 51 2.096 -0.795 -2.019 339 HD22 LEU 51 1HD2 LEU 51 1.663 -2.496 -2.188 340 HD23 LEU 51 2HD2 LEU 51 2.015 -1.830 -0.593 341 H ILE 52 H ILE 52 -3.127 -2.054 -2.510 342 HA ILE 52 HA ILE 52 -2.869 -4.924 -3.096 343 HB ILE 52 HB ILE 52 -5.330 -3.218 -3.393 344 HG13 ILE 52 2HG1 ILE 52 -4.650 -5.792 -1.983 345 HG21 ILE 52 1HG2 ILE 52 -4.556 -5.709 -4.862 346 HG22 ILE 52 2HG2 ILE 52 -6.248 -5.351 -4.524 347 HG23 ILE 52 3HG2 ILE 52 -5.285 -4.228 -5.483 348 HD11 ILE 52 3HD1 ILE 52 -6.332 -4.146 -0.459 349 HD12 ILE 52 1HD1 ILE 52 -4.632 -4.521 -0.179 350 HD13 ILE 52 2HD1 ILE 52 -5.078 -3.104 -1.129 351 H PHE 53 H PHE 53 -1.716 -5.198 -4.877 352 HA PHE 53 HA PHE 53 -1.959 -3.207 -7.034 353 HB3 PHE 53 2HB PHE 53 0.487 -4.562 -5.932 354 HD1 PHE 53 2HD PHE 53 -0.688 -2.693 -8.932 355 HD2 PHE 53 1HD PHE 53 2.297 -5.188 -7.207 356 HE1 PHE 53 2HE PHE 53 0.442 -2.845 -11.113 357 HE2 PHE 53 1HE PHE 53 3.432 -5.344 -9.385 358 HZ PHE 53 HZ PHE 53 2.503 -4.172 -11.342 359 H ALA 54 H ALA 54 -2.662 -4.003 -8.898 360 HA ALA 54 HA ALA 54 -3.331 -5.468 -10.508 361 HB1 ALA 54 1HB ALA 54 -1.649 -6.650 -11.445 362 HB2 ALA 54 2HB ALA 54 -0.672 -5.749 -10.285 363 HB3 ALA 54 3HB ALA 54 -1.177 -7.399 -9.919 364 H GLY 55 H GLY 55 -4.341 -5.838 -7.783 365 HA2 GLY 55 2HA GLY 55 -5.994 -7.310 -7.019 366 HA3 GLY 55 3HA GLY 55 -5.422 -8.512 -8.167 367 H LYS 56 H LYS 56 -2.623 -7.763 -6.999 368 HA LYS 56 HA LYS 56 -2.758 -9.768 -4.869 369 HB3 LYS 56 2HB LYS 56 -0.325 -8.640 -6.265 370 HG3 LYS 56 2HG LYS 56 -0.478 -11.297 -4.904 371 HD3 LYS 56 2HD LYS 56 1.965 -10.862 -4.665 372 HE3 LYS 56 2HE LYS 56 0.795 -10.792 -7.443 373 HZ1 LYS 56 3HZ LYS 56 3.561 -11.477 -6.602 374 HZ2 LYS 56 1HZ LYS 56 3.109 -10.133 -7.525 375 HZ3 LYS 56 2HZ LYS 56 2.927 -11.692 -8.155 376 H GLN 57 H GLN 57 -2.609 -9.202 -2.804 377 HA GLN 57 HA GLN 57 -2.131 -6.457 -2.081 378 HB3 GLN 57 2HB GLN 57 -3.822 -8.019 -0.992 379 HG3 GLN 57 2HG GLN 57 -1.994 -8.860 1.069 380 HE21 GLN 57 1HE2 GLN 57 -3.630 -10.371 -1.696 381 HE22 GLN 57 2HE2 GLN 57 -4.739 -11.298 -0.750 382 H LEU 58 H LEU 58 -0.494 -5.691 -0.697 383 HA LEU 58 HA LEU 58 1.768 -7.455 -0.164 384 HB3 LEU 58 2HB LEU 58 3.376 -6.064 -1.206 385 HG LEU 58 HG LEU 58 1.715 -7.416 -2.809 386 HD11 LEU 58 1HD1 LEU 58 0.847 -6.036 -4.562 387 HD12 LEU 58 2HD1 LEU 58 1.531 -4.587 -3.828 388 HD13 LEU 58 3HD1 LEU 58 0.215 -5.444 -3.026 389 HD21 LEU 58 3HD2 LEU 58 4.194 -5.957 -3.103 390 HD22 LEU 58 1HD2 LEU 58 3.300 -6.029 -4.622 391 HD23 LEU 58 2HD2 LEU 58 3.718 -7.518 -3.773 392 H GLU 59 H GLU 59 3.590 -5.606 0.709 393 HA GLU 59 HA GLU 59 2.181 -4.393 2.993 394 HB3 GLU 59 2HB GLU 59 3.614 -6.029 3.870 395 HG3 GLU 59 2HG GLU 59 5.768 -5.033 2.020 396 H ASP 60 H ASP 60 3.946 -2.695 4.011 397 HA ASP 60 HA ASP 60 4.823 -0.928 1.839 398 HB3 ASP 60 2HB ASP 60 2.970 -0.228 4.105 399 H GLY 61 H GLY 61 6.496 0.534 2.394 400 HA2 GLY 61 2HA GLY 61 7.663 1.223 4.686 401 HA3 GLY 61 3HA GLY 61 8.166 -0.457 4.566 402 H ARG 62 H ARG 62 8.123 -0.029 1.521 403 HA ARG 62 HA ARG 62 10.639 1.486 1.318 404 HB3 ARG 62 2HB ARG 62 10.974 -0.390 -0.606 405 HG3 ARG 62 2HG ARG 62 12.448 0.273 1.440 406 HD3 ARG 62 2HD ARG 62 10.708 -1.185 2.852 407 HE ARG 62 HE ARG 62 11.862 -3.233 1.524 408 HH11 ARG 62 1HH1 ARG 62 11.977 -2.180 4.841 409 HH12 ARG 62 2HH1 ARG 62 12.210 -3.775 5.475 410 HH21 ARG 62 1HH2 ARG 62 12.169 -5.337 2.347 411 HH22 ARG 62 2HH2 ARG 62 12.320 -5.571 4.056 412 H THR 63 H THR 63 11.172 1.991 -1.022 413 HA THR 63 HA THR 63 8.840 3.205 -2.221 414 HB THR 63 HB THR 63 10.329 4.372 -3.660 415 HG1 THR 63 1HG THR 63 12.609 3.752 -3.679 416 HG21 THR 63 3HG2 THR 63 11.828 5.448 -2.127 417 HG22 THR 63 1HG2 THR 63 11.825 4.046 -1.059 418 HG23 THR 63 2HG2 THR 63 10.365 5.019 -1.243 419 H LEU 64 H LEU 64 8.716 3.123 -4.705 420 HA LEU 64 HA LEU 64 8.221 0.414 -5.448 421 HB3 LEU 64 2HB LEU 64 7.224 1.257 -7.363 422 HG LEU 64 HG LEU 64 7.062 3.741 -5.666 423 HD11 LEU 64 1HD1 LEU 64 5.518 2.586 -7.927 424 HD12 LEU 64 2HD1 LEU 64 5.932 4.264 -7.578 425 HD13 LEU 64 3HD1 LEU 64 4.641 3.469 -6.678 426 HD21 LEU 64 3HD2 LEU 64 4.854 2.229 -5.071 427 HD22 LEU 64 1HD2 LEU 64 6.277 2.417 -4.046 428 HD23 LEU 64 2HD2 LEU 64 6.143 1.025 -5.122 429 H SER 65 H SER 65 10.646 2.829 -6.328 430 HA SER 65 HA SER 65 11.906 1.284 -8.341 431 HB3 SER 65 2HB SER 65 13.044 3.521 -6.646 432 HG SER 65 HG SER 65 14.460 3.738 -8.463 433 H GLU 66 H GLU 66 12.329 1.536 -4.865 434 HA GLU 66 HA GLU 66 14.785 0.190 -4.649 435 HB3 GLU 66 2HB GLU 66 13.820 -0.400 -2.299 436 HG3 GLU 66 2HG GLU 66 13.953 2.014 -1.565 437 H TYR 67 H TYR 67 11.559 -0.952 -5.191 438 HA TYR 67 HA TYR 67 12.449 -3.731 -4.818 439 HB3 TYR 67 2HB TYR 67 9.784 -3.980 -5.148 440 HD1 TYR 67 1HD TYR 67 11.659 -5.548 -3.770 441 HD2 TYR 67 2HD TYR 67 9.358 -2.314 -2.235 442 HE1 TYR 67 1HE TYR 67 11.865 -6.485 -1.505 443 HE2 TYR 67 2HE TYR 67 9.558 -3.242 0.034 444 HH TYR 67 HH TYR 67 10.736 -6.395 0.633 445 H ASN 68 H ASN 68 11.961 -1.439 -7.174 446 HA ASN 68 HA ASN 68 11.887 -1.504 -9.446 447 HB3 ASN 68 2HB ASN 68 12.790 -3.404 -10.574 448 HD21 ASN 68 1HD2 ASN 68 14.319 -1.613 -9.982 449 HD22 ASN 68 2HD2 ASN 68 15.633 -2.024 -8.937 450 H ILE 69 H ILE 69 9.458 -1.609 -8.128 451 HA ILE 69 HA ILE 69 7.873 -3.459 -9.786 452 HB ILE 69 HB ILE 69 6.043 -3.012 -8.081 453 HG13 ILE 69 2HG1 ILE 69 7.018 -1.015 -7.057 454 HG21 ILE 69 1HG2 ILE 69 6.622 -4.903 -6.974 455 HG22 ILE 69 2HG2 ILE 69 7.854 -4.968 -8.234 456 HG23 ILE 69 3HG2 ILE 69 8.258 -4.338 -6.637 457 HD11 ILE 69 3HD1 ILE 69 7.125 -3.139 -4.945 458 HD12 ILE 69 1HD1 ILE 69 6.642 -1.450 -4.790 459 HD13 ILE 69 2HD1 ILE 69 5.607 -2.588 -5.654 460 H GLN 70 H GLN 70 5.766 -2.661 -10.508 461 HA GLN 70 HA GLN 70 5.948 0.161 -11.279 462 HB3 GLN 70 2HB GLN 70 5.750 -1.328 -13.152 463 HG3 GLN 70 2HG GLN 70 3.226 -2.381 -11.895 464 HE21 GLN 70 1HE2 GLN 70 1.794 -2.554 -13.475 465 HE22 GLN 70 2HE2 GLN 70 2.099 -3.203 -15.047 466 H LYS 71 H LYS 71 5.243 0.145 -8.771 467 HA LYS 71 HA LYS 71 2.420 -0.152 -8.340 468 HB3 LYS 71 2HB LYS 71 3.335 1.390 -6.255 469 HG3 LYS 71 2HG LYS 71 3.981 -1.479 -6.035 470 HD3 LYS 71 2HD LYS 71 2.072 -0.955 -4.213 471 HE3 LYS 71 2HE LYS 71 3.968 -0.242 -2.686 472 HZ1 LYS 71 3HZ LYS 71 3.713 -2.491 -2.626 473 HZ2 LYS 71 1HZ LYS 71 5.268 -2.417 -3.287 474 HZ3 LYS 71 2HZ LYS 71 3.935 -2.692 -4.290 475 H GLU 72 H GLU 72 4.184 2.114 -9.964 476 HA GLU 72 HA GLU 72 2.554 4.397 -9.156 477 HB3 GLU 72 2HB GLU 72 4.704 4.362 -11.269 478 HG3 GLU 72 2HG GLU 72 4.264 6.663 -9.472 479 H SER 73 H SER 73 1.263 2.201 -10.467 480 HA SER 73 HA SER 73 0.404 3.543 -12.947 481 HB3 SER 73 2HB SER 73 -0.200 1.157 -13.715 482 HG SER 73 HG SER 73 1.481 1.787 -14.833 483 H THR 74 H THR 74 -0.837 0.708 -11.216 484 HA THR 74 HA THR 74 -3.282 2.207 -10.580 485 HB THR 74 HB THR 74 -3.632 -0.627 -11.395 486 HG1 THR 74 1HG THR 74 -2.838 -0.265 -13.320 487 HG21 THR 74 3HG2 THR 74 -5.196 1.927 -11.499 488 HG22 THR 74 1HG2 THR 74 -5.619 0.390 -10.746 489 HG23 THR 74 2HG2 THR 74 -5.662 0.553 -12.502 490 H LEU 75 H LEU 75 -3.320 2.208 -8.423 491 HA LEU 75 HA LEU 75 -3.007 -0.366 -7.038 492 HB3 LEU 75 2HB LEU 75 -2.200 1.539 -5.200 493 HG LEU 75 HG LEU 75 0.181 0.753 -5.711 494 HD11 LEU 75 1HD1 LEU 75 -1.993 -0.449 -4.382 495 HD12 LEU 75 2HD1 LEU 75 -0.271 -0.670 -4.074 496 HD13 LEU 75 3HD1 LEU 75 -1.110 -1.741 -5.196 497 HD21 LEU 75 3HD2 LEU 75 0.468 -1.107 -7.154 498 HD22 LEU 75 1HD2 LEU 75 -0.396 0.120 -8.079 499 HD23 LEU 75 2HD2 LEU 75 -1.269 -1.261 -7.416 500 H HIS 76 H HIS 76 -4.195 -0.582 -5.083 501 HA HIS 76 HA HIS 76 -6.226 1.478 -4.588 502 HB3 HIS 76 2HB HIS 76 -6.671 -1.386 -5.312 503 HD1 HIS 76 1HD HIS 76 -8.644 -2.716 -4.443 504 HD2 HIS 76 2HD HIS 76 -8.303 1.032 -2.682 505 HE1 HIS 76 1HE HIS 76 -10.275 -2.722 -2.530 506 H LEU 77 H LEU 77 -5.733 2.129 -2.589 507 HA LEU 77 HA LEU 77 -5.512 0.078 -0.496 508 HB3 LEU 77 2HB LEU 77 -3.322 0.643 -0.469 509 HG LEU 77 HG LEU 77 -4.086 3.238 -1.721 510 HD11 LEU 77 1HD1 LEU 77 -2.803 4.122 0.023 511 HD12 LEU 77 2HD1 LEU 77 -1.666 3.938 -1.312 512 HD13 LEU 77 3HD1 LEU 77 -1.677 2.764 0.005 513 HD21 LEU 77 3HD2 LEU 77 -2.954 2.426 -3.465 514 HD22 LEU 77 1HD2 LEU 77 -3.003 0.876 -2.625 515 HD23 LEU 77 2HD2 LEU 77 -1.593 1.925 -2.458 516 H VAL 78 H VAL 78 -7.578 0.398 0.256 517 HA VAL 78 HA VAL 78 -7.986 2.839 1.787 518 HB VAL 78 HB VAL 78 -10.182 1.897 -0.045 519 HG11 VAL 78 1HG1 VAL 78 -11.279 3.188 1.448 520 HG12 VAL 78 2HG1 VAL 78 -9.819 4.052 1.936 521 HG13 VAL 78 3HG1 VAL 78 -10.654 4.499 0.448 522 HG21 VAL 78 3HG2 VAL 78 -8.226 4.140 -0.539 523 HG22 VAL 78 1HG2 VAL 78 -8.300 2.618 -1.426 524 HG23 VAL 78 2HG2 VAL 78 -9.638 3.762 -1.526 525 H LEU 79 H LEU 79 -8.972 2.453 3.682 526 HA LEU 79 HA LEU 79 -10.179 -0.206 4.069 527 HB3 LEU 79 2HB LEU 79 -8.899 1.514 6.183 528 HG LEU 79 HG LEU 79 -10.403 -0.231 7.082 529 HD11 LEU 79 1HD1 LEU 79 -8.522 -2.118 5.671 530 HD12 LEU 79 2HD1 LEU 79 -10.224 -1.859 5.293 531 HD13 LEU 79 3HD1 LEU 79 -9.765 -2.586 6.832 532 HD21 LEU 79 3HD2 LEU 79 -9.015 -0.390 8.812 533 HD22 LEU 79 1HD2 LEU 79 -7.777 0.357 7.802 534 HD23 LEU 79 2HD2 LEU 79 -7.893 -1.400 7.899 535 H ARG 80 H ARG 80 -12.321 -0.038 4.122 536 HA ARG 80 HA ARG 80 -14.419 0.821 4.434 537 HB3 ARG 80 2HB ARG 80 -13.281 1.627 7.112 538 HG3 ARG 80 2HG ARG 80 -15.943 0.383 6.850 539 HD3 ARG 80 2HD ARG 80 -16.465 2.012 8.613 540 HE ARG 80 HE ARG 80 -14.483 0.006 8.951 541 HH11 ARG 80 1HH1 ARG 80 -16.034 2.672 10.565 542 HH12 ARG 80 2HH1 ARG 80 -15.762 2.038 12.155 543 HH21 ARG 80 1HH2 ARG 80 -14.118 -0.839 11.038 544 HH22 ARG 80 2HH2 ARG 80 -14.671 0.042 12.422 545 H LEU 81 H LEU 81 -13.795 2.518 2.808 546 HA LEU 81 HA LEU 81 -12.945 5.071 3.395 547 HB3 LEU 81 2HB LEU 81 -13.421 4.078 1.132 548 HG LEU 81 HG LEU 81 -15.488 4.252 0.064 549 HD11 LEU 81 1HD1 LEU 81 -15.324 2.340 1.620 550 HD12 LEU 81 2HD1 LEU 81 -16.984 2.868 1.347 551 HD13 LEU 81 3HD1 LEU 81 -16.157 3.300 2.844 552 HD21 LEU 81 3HD2 LEU 81 -16.981 5.403 2.342 553 HD22 LEU 81 1HD2 LEU 81 -17.188 5.644 0.607 554 HD23 LEU 81 2HD2 LEU 81 -15.903 6.492 1.467 555 H ARG 82 H ARG 82 -14.350 7.093 3.274 556 HA ARG 82 HA ARG 82 -17.018 7.056 4.180 557 HB3 ARG 82 2HB ARG 82 -14.990 7.727 6.318 558 HG3 ARG 82 2HG ARG 82 -17.412 8.779 6.229 559 HD3 ARG 82 2HD ARG 82 -18.473 6.965 8.044 560 HE ARG 82 HE ARG 82 -19.328 8.125 5.663 561 HH11 ARG 82 1HH1 ARG 82 -19.817 5.187 7.465 562 HH12 ARG 82 2HH1 ARG 82 -21.430 4.941 6.878 563 HH21 ARG 82 1HH2 ARG 82 -21.449 7.813 4.883 564 HH22 ARG 82 2HH2 ARG 82 -22.356 6.436 5.409 565 H GLY 83 H GLY 83 -17.764 8.848 3.268 566 HA2 GLY 83 2HA GLY 83 -17.658 11.361 3.689 567 HA3 GLY 83 3HA GLY 83 -15.992 11.203 3.152 568 H TYR 84 H TYR 84 -16.094 12.436 1.331 569 HA TYR 84 HA TYR 84 -17.324 11.235 -0.974 570 HB3 TYR 84 2HB TYR 84 -19.254 12.444 -0.220 571 HD1 TYR 84 2HD TYR 84 -18.863 13.329 2.090 572 HD2 TYR 84 1HD TYR 84 -17.836 15.551 -1.390 573 HE1 TYR 84 2HE TYR 84 -18.766 15.384 3.438 574 HE2 TYR 84 1HE TYR 84 -17.736 17.612 -0.051 575 HH TYR 84 HH TYR 84 -18.933 17.795 3.133 576 H ALA 85 H ALA 85 -17.093 13.042 -2.869 577 HA ALA 85 HA ALA 85 -14.250 13.525 -2.996 578 HB1 ALA 85 1HB ALA 85 -16.040 12.793 -4.865 579 HB2 ALA 85 2HB ALA 85 -15.975 14.531 -5.165 580 HB3 ALA 85 3HB ALA 85 -14.500 13.568 -5.238 581 H ASP 86 H ASP 86 -13.373 15.303 -2.183 582 HA ASP 86 HA ASP 86 -14.318 17.901 -2.903 583 HB3 ASP 86 2HB ASP 86 -14.293 17.495 0.060 584 H LEU 87 H LEU 87 -12.980 19.631 -1.733 585 HA LEU 87 HA LEU 87 -10.235 18.609 -1.438 586 HB3 LEU 87 2HB LEU 87 -9.745 21.141 -1.928 587 HG LEU 87 HG LEU 87 -10.659 19.350 -4.179 588 HD11 LEU 87 1HD1 LEU 87 -9.937 22.062 -4.204 589 HD12 LEU 87 2HD1 LEU 87 -10.130 20.980 -5.583 590 HD13 LEU 87 3HD1 LEU 87 -8.548 21.173 -4.829 591 HD21 LEU 87 3HD2 LEU 87 -8.052 19.156 -4.327 592 HD22 LEU 87 1HD2 LEU 87 -8.965 18.133 -3.218 593 HD23 LEU 87 2HD2 LEU 87 -8.130 19.565 -2.613 594 H ARG 88 H ARG 88 -8.812 20.039 -0.059 595 HA ARG 88 HA ARG 88 -9.852 21.756 1.895 596 HB3 ARG 88 2HB ARG 88 -9.139 19.271 3.318 597 HG3 ARG 88 2HG ARG 88 -9.922 21.317 4.472 598 HD3 ARG 88 2HD ARG 88 -12.437 20.687 2.949 599 HE ARG 88 HE ARG 88 -12.597 22.736 4.967 600 HH11 ARG 88 1HH1 ARG 88 -13.138 19.379 4.221 601 HH12 ARG 88 2HH1 ARG 88 -14.324 19.158 5.464 602 HH21 ARG 88 1HH2 ARG 88 -14.156 22.458 6.608 603 HH22 ARG 88 2HH2 ARG 88 -14.902 20.912 6.822 604 H GLU 89 H GLU 89 -8.258 22.044 3.758 605 HA GLU 89 HA GLU 89 -5.713 22.547 2.731 606 HB3 GLU 89 2HB GLU 89 -5.061 22.800 5.176 607 HG3 GLU 89 2HG GLU 89 -7.616 24.264 4.705 608 H ASP 90 H ASP 90 -4.624 20.858 1.854 609 HA ASP 90 HA ASP 90 -4.519 18.241 2.725 610 HB3 ASP 90 2HB ASP 90 -3.593 18.585 0.618 611 HA PRO 91 HA PRO 91 -2.074 18.080 6.362 612 HB3 PRO 91 2HB PRO 91 -2.388 15.805 6.349 613 HG3 PRO 91 2HG PRO 91 -2.390 14.606 4.356 614 HD3 PRO 91 2HD PRO 91 -3.873 16.284 3.812 615 H ASP 92 H ASP 92 -0.257 17.494 3.369 616 HA ASP 92 HA ASP 92 1.698 19.458 4.016 617 HB3 ASP 92 2HB ASP 92 3.534 17.485 3.807 618 H ARG 93 H ARG 93 2.763 20.128 2.219 619 HA ARG 93 HA ARG 93 1.823 19.369 -0.306 620 HB3 ARG 93 2HB ARG 93 3.621 20.773 -1.205 621 HG3 ARG 93 2HG ARG 93 3.320 22.787 0.475 622 HD3 ARG 93 2HD ARG 93 0.791 21.887 -0.808 623 HE ARG 93 HE ARG 93 1.879 24.376 -0.144 624 HH11 ARG 93 1HH1 ARG 93 0.261 22.813 -2.801 625 HH12 ARG 93 2HH1 ARG 93 -0.460 24.274 -3.391 626 HH21 ARG 93 1HH2 ARG 93 0.935 26.305 -0.910 627 HH22 ARG 93 2HH2 ARG 93 -0.075 26.260 -2.316 628 H GLN 94 H GLN 94 3.838 19.022 -2.037 629 HA GLN 94 HA GLN 94 5.352 16.676 -1.140 630 HB3 GLN 94 2HB GLN 94 3.358 15.781 -2.194 631 HG3 GLN 94 2HG GLN 94 3.262 17.955 -3.767 632 HE21 GLN 94 1HE2 GLN 94 4.667 18.708 -5.203 633 HE22 GLN 94 2HE2 GLN 94 5.268 17.837 -6.570 634 H ASP 95 H ASP 95 6.671 15.946 -3.317 635 HA ASP 95 HA ASP 95 7.990 18.401 -4.277 636 HB3 ASP 95 2HB ASP 95 10.119 17.254 -4.205 637 H HIS 96 H HIS 96 9.513 17.726 -6.229 638 HA HIS 96 HA HIS 96 8.078 15.885 -8.005 639 HB3 HIS 96 2HB HIS 96 7.210 18.092 -8.540 640 HD1 HIS 96 1HD HIS 96 8.093 20.077 -7.114 641 HD2 HIS 96 2HD HIS 96 10.543 19.028 -10.302 642 HE1 HIS 96 1HE HIS 96 9.712 21.983 -7.373 643 H HIS 97 H HIS 97 9.468 16.055 -10.266 644 HA HIS 97 HA HIS 97 12.318 16.050 -9.701 645 HB3 HIS 97 2HB HIS 97 11.933 13.807 -9.100 646 HD1 HIS 97 1HD HIS 97 9.259 13.601 -8.788 647 HD2 HIS 97 2HD HIS 97 10.790 12.432 -12.468 648 HE1 HIS 97 1HE HIS 97 7.456 12.212 -9.856 649 HA PRO 98 HA PRO 98 12.640 17.392 -13.865 650 HB3 PRO 98 2HB PRO 98 14.881 17.719 -13.472 651 HG3 PRO 98 2HG PRO 98 16.094 16.242 -12.147 652 HD3 PRO 98 2HD PRO 98 14.298 16.637 -10.758 653 H GLY 99 H GLY 99 13.436 16.463 -16.127 654 HA2 GLY 99 2HA GLY 99 12.871 13.663 -16.533 655 HA3 GLY 99 3HA GLY 99 11.596 14.728 -17.109 656 H SER 100 H SER 100 12.933 13.049 -18.838 657 HA SER 100 HA SER 100 14.034 14.974 -20.691 658 HB3 SER 100 2HB SER 100 15.702 12.599 -19.827 659 HG SER 100 HG SER 100 17.263 13.683 -21.186 660 H GLY 101 H GLY 101 14.644 13.804 -22.810 661 HA2 GLY 101 2HA GLY 101 13.610 11.257 -23.406 662 HA3 GLY 101 3HA GLY 101 12.373 12.455 -23.756 663 H ALA 102 H ALA 102 12.853 11.292 -25.919 664 HA ALA 102 HA ALA 102 14.198 13.164 -27.585 665 HB1 ALA 102 1HB ALA 102 15.524 10.491 -27.168 666 HB2 ALA 102 2HB ALA 102 15.892 11.585 -28.502 667 HB3 ALA 102 3HB ALA 102 16.202 12.085 -26.839 668 H GLN 103 H GLN 103 14.518 11.950 -29.893 669 HA GLN 103 HA GLN 103 11.843 11.087 -30.573 670 HB3 GLN 103 2HB GLN 103 13.205 12.723 -31.937 671 HG3 GLN 103 2HG GLN 103 14.566 10.241 -32.953 672 HE21 GLN 103 1HE2 GLN 103 16.881 11.888 -33.492 673 HE22 GLN 103 2HE2 GLN 103 16.509 12.816 -34.900
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