NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621531 | 5npg | 34124 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 0.141 1.498 -4.895 2 H2 ASN 1 2H ASN 1 1.006 2.376 -3.825 3 H3 ASN 1 3H ASN 1 0.426 3.081 -5.179 4 HA ASN 1 HA ASN 1 2.453 0.995 -5.044 5 HB2 ASN 1 1HB ASN 1 1.172 2.422 -7.393 6 HB3 ASN 1 2HB ASN 1 2.680 1.525 -7.512 7 HD21 ASN 1 1HD2 ASN 1 -0.406 -0.533 -8.336 8 HD22 ASN 1 2HD2 ASN 1 0.040 1.087 -8.756 9 H GLY 2 H GLY 2 1.726 4.176 -4.434 10 HA2 GLY 2 1HA GLY 2 3.957 5.524 -5.662 11 HA3 GLY 2 2HA GLY 2 2.960 6.145 -4.360 12 H LEU 3 H LEU 3 3.650 3.460 -2.918 13 HA LEU 3 HA LEU 3 6.015 4.548 -1.550 14 HB2 LEU 3 1HB LEU 3 4.322 2.085 -1.000 15 HB3 LEU 3 2HB LEU 3 5.635 2.664 0.030 16 HG LEU 3 HG LEU 3 3.080 4.201 -0.562 17 HD11 LEU 3 1HD1 LEU 3 2.479 3.627 1.747 18 HD12 LEU 3 2HD1 LEU 3 2.656 2.176 0.734 19 HD13 LEU 3 3HD1 LEU 3 3.943 2.624 1.879 20 HD21 LEU 3 1HD2 LEU 3 3.880 5.655 1.270 21 HD22 LEU 3 2HD2 LEU 3 5.365 4.680 1.395 22 HD23 LEU 3 3HD2 LEU 3 5.043 5.625 -0.078 23 H ALA 4 H ALA 4 5.409 2.462 -4.126 24 HA ALA 4 HA ALA 4 7.784 0.784 -3.611 25 HB1 ALA 4 1HB ALA 4 7.119 -0.382 -5.689 26 HB2 ALA 4 2HB ALA 4 5.779 -0.300 -4.521 27 HB3 ALA 4 3HB ALA 4 5.807 0.797 -5.921 28 H MET 5 H MET 5 9.500 0.569 -5.136 29 HA MET 5 HA MET 5 11.213 1.478 -6.375 30 HB2 MET 5 1HB MET 5 8.922 2.931 -7.754 31 HB3 MET 5 2HB MET 5 10.567 2.832 -8.366 32 HG2 MET 5 1HG MET 5 8.708 0.477 -7.925 33 HG3 MET 5 2HG MET 5 9.066 1.242 -9.476 34 HE1 MET 5 1HE MET 5 12.741 0.280 -10.170 35 HE2 MET 5 2HE MET 5 11.224 0.930 -10.838 36 HE3 MET 5 3HE MET 5 12.083 1.815 -9.554 37 H LYS 6 H LYS 6 10.453 2.753 -3.888 38 HA LYS 6 HA LYS 6 11.707 5.390 -4.385 39 HB2 LYS 6 1HB LYS 6 9.250 5.788 -4.427 40 HB3 LYS 6 2HB LYS 6 9.107 5.054 -2.836 41 HG2 LYS 6 1HG LYS 6 10.580 6.841 -1.913 42 HG3 LYS 6 2HG LYS 6 10.608 7.599 -3.512 43 HD2 LYS 6 1HD LYS 6 7.983 6.959 -2.156 44 HD3 LYS 6 2HD LYS 6 8.876 8.432 -1.752 45 HE2 LYS 6 1HE LYS 6 8.868 9.081 -4.149 46 HE3 LYS 6 2HE LYS 6 7.948 7.624 -4.533 47 HZ1 LYS 6 1HZ LYS 6 6.530 9.528 -4.306 48 HZ2 LYS 6 2HZ LYS 6 6.185 8.434 -3.120 49 HZ3 LYS 6 3HZ LYS 6 7.044 9.796 -2.762 50 H THR 7 H THR 7 13.240 5.822 -2.978 51 HA THR 7 HA THR 7 14.099 3.947 -1.071 52 HB THR 7 HB THR 7 14.632 6.950 -1.060 53 HG1 THR 7 HG1 THR 7 16.295 6.459 -2.433 54 HG21 THR 7 1HG2 THR 7 16.704 6.318 0.112 55 HG22 THR 7 2HG2 THR 7 15.271 5.820 1.042 56 HG23 THR 7 3HG2 THR 7 16.190 4.615 0.112 57 HA PRO 8 HA PRO 8 11.103 4.227 2.081 58 HB2 PRO 8 1HB PRO 8 13.497 3.272 3.713 59 HB3 PRO 8 2HB PRO 8 11.831 2.680 3.742 60 HG2 PRO 8 1HG PRO 8 13.632 1.270 2.393 61 HG3 PRO 8 2HG PRO 8 12.049 1.541 1.659 62 HD2 PRO 8 1HD PRO 8 14.687 2.943 1.104 63 HD3 PRO 8 2HD PRO 8 13.402 2.424 -0.059 64 H VAL 9 H VAL 9 14.441 5.402 2.567 65 HA VAL 9 HA VAL 9 13.914 7.156 4.748 66 HB VAL 9 HB VAL 9 15.984 7.310 2.518 67 HG11 VAL 9 1HG1 VAL 9 17.206 8.858 3.966 68 HG12 VAL 9 2HG1 VAL 9 15.633 9.520 3.460 69 HG13 VAL 9 3HG1 VAL 9 15.839 8.871 5.105 70 HG21 VAL 9 1HG2 VAL 9 17.490 6.411 4.263 71 HG22 VAL 9 2HG2 VAL 9 16.126 6.347 5.405 72 HG23 VAL 9 3HG2 VAL 9 16.127 5.309 3.959 73 H SER 10 H SER 10 13.841 7.678 1.218 74 HA SER 10 HA SER 10 13.117 10.440 1.335 75 HB2 SER 10 1HB SER 10 12.591 8.318 -0.770 76 HB3 SER 10 2HB SER 10 12.268 10.030 -0.997 77 HG SER 10 HG SER 10 14.517 10.319 -0.360 78 H ILE 11 H ILE 11 11.198 7.451 1.314 79 HA ILE 11 HA ILE 11 8.630 8.670 1.196 80 HB ILE 11 HB ILE 11 9.578 6.065 2.449 81 HG12 ILE 11 1HG1 ILE 11 7.965 6.556 -0.060 82 HG13 ILE 11 2HG1 ILE 11 9.714 6.391 -0.044 83 HG21 ILE 11 1HG2 ILE 11 7.203 5.431 2.573 84 HG22 ILE 11 2HG2 ILE 11 7.545 6.835 3.611 85 HG23 ILE 11 3HG2 ILE 11 6.735 7.065 2.043 86 HD11 ILE 11 1HD1 ILE 11 8.640 4.294 -0.644 87 HD12 ILE 11 2HD1 ILE 11 9.505 4.134 0.904 88 HD13 ILE 11 3HD1 ILE 11 7.733 4.300 0.886 89 H LEU 12 H LEU 12 10.656 7.759 3.996 90 HA LEU 12 HA LEU 12 8.957 8.683 6.041 91 HB2 LEU 12 1HB LEU 12 10.998 7.436 6.500 92 HB3 LEU 12 2HB LEU 12 11.989 8.743 5.846 93 HG LEU 12 HG LEU 12 11.187 10.211 7.718 94 HD11 LEU 12 1HD1 LEU 12 10.084 9.137 9.630 95 HD12 LEU 12 2HD1 LEU 12 9.079 9.061 8.163 96 HD13 LEU 12 3HD1 LEU 12 9.967 7.619 8.709 97 HD21 LEU 12 1HD2 LEU 12 12.585 9.099 9.426 98 HD22 LEU 12 2HD2 LEU 12 12.505 7.579 8.503 99 HD23 LEU 12 3HD2 LEU 12 13.337 8.995 7.816 100 H GLN 13 H GLN 13 11.505 10.480 4.279 101 HA GLN 13 HA GLN 13 11.117 12.933 5.666 102 HB2 GLN 13 1HB GLN 13 12.221 12.339 2.896 103 HB3 GLN 13 2HB GLN 13 12.238 13.943 3.613 104 HG2 GLN 13 1HG GLN 13 13.654 13.182 5.420 105 HG3 GLN 13 2HG GLN 13 13.559 11.503 4.818 106 HE21 GLN 13 1HE2 GLN 13 16.738 13.221 3.718 107 HE22 GLN 13 2HE2 GLN 13 15.954 13.056 5.254 108 H GLU 14 H GLU 14 9.664 11.659 2.685 109 HA GLU 14 HA GLU 14 8.214 14.006 1.983 110 HB2 GLU 14 1HB GLU 14 8.525 12.097 0.447 111 HB3 GLU 14 2HB GLU 14 7.535 11.080 1.484 112 HG2 GLU 14 1HG GLU 14 5.583 12.478 1.041 113 HG3 GLU 14 2HG GLU 14 6.563 13.567 0.062 114 H LEU 15 H LEU 15 7.225 11.144 3.888 115 HA LEU 15 HA LEU 15 4.559 12.040 4.344 116 HB2 LEU 15 1HB LEU 15 6.348 10.139 5.892 117 HB3 LEU 15 2HB LEU 15 4.645 10.404 6.281 118 HG LEU 15 HG LEU 15 5.661 9.332 3.625 119 HD11 LEU 15 1HD1 LEU 15 4.822 7.171 4.433 120 HD12 LEU 15 2HD1 LEU 15 6.135 7.792 5.460 121 HD13 LEU 15 3HD1 LEU 15 4.446 7.906 6.009 122 HD21 LEU 15 1HD2 LEU 15 3.276 8.781 3.284 123 HD22 LEU 15 2HD2 LEU 15 2.877 9.539 4.844 124 HD23 LEU 15 3HD2 LEU 15 3.503 10.532 3.507 125 H LEU 16 H LEU 16 7.559 12.450 6.206 126 HA LEU 16 HA LEU 16 6.304 13.763 8.436 127 HB2 LEU 16 1HB LEU 16 9.160 13.777 7.406 128 HB3 LEU 16 2HB LEU 16 8.659 14.554 8.911 129 HG LEU 16 HG LEU 16 8.450 11.580 8.316 130 HD11 LEU 16 1HD1 LEU 16 10.285 11.381 9.934 131 HD12 LEU 16 2HD1 LEU 16 10.762 12.341 8.513 132 HD13 LEU 16 3HD1 LEU 16 10.376 13.154 10.049 133 HD21 LEU 16 1HD2 LEU 16 7.902 11.426 10.721 134 HD22 LEU 16 2HD2 LEU 16 7.959 13.201 10.848 135 HD23 LEU 16 3HD2 LEU 16 6.706 12.420 9.854 136 H SER 17 H SER 17 7.640 14.873 5.363 137 HA SER 17 HA SER 17 7.525 17.683 5.996 138 HB2 SER 17 1HB SER 17 7.499 16.209 3.343 139 HB3 SER 17 2HB SER 17 7.637 17.953 3.504 140 HG SER 17 HG SER 17 9.391 15.942 4.342 141 H ARG 18 H ARG 18 5.264 15.384 4.512 142 HA ARG 18 HA ARG 18 3.319 17.331 3.726 143 HB2 ARG 18 1HB ARG 18 3.126 14.368 4.329 144 HB3 ARG 18 2HB ARG 18 1.745 15.316 3.800 145 HG2 ARG 18 1HG ARG 18 2.931 15.886 1.717 146 HG3 ARG 18 2HG ARG 18 4.314 14.902 2.252 147 HD2 ARG 18 1HD ARG 18 2.840 12.949 2.363 148 HD3 ARG 18 2HD ARG 18 1.507 13.948 1.738 149 HE ARG 18 HE ARG 18 3.767 12.871 0.257 150 HH11 ARG 18 1HH1 ARG 18 1.203 15.272 0.326 151 HH12 ARG 18 2HH1 ARG 18 1.183 15.482 -1.411 152 HH21 ARG 18 1HH2 ARG 18 3.732 13.153 -1.996 153 HH22 ARG 18 2HH2 ARG 18 2.614 14.284 -2.726 154 H ARG 19 H ARG 19 3.753 15.399 6.681 155 HA ARG 19 HA ARG 19 1.303 16.496 7.865 156 HB2 ARG 19 1HB ARG 19 3.473 14.683 8.969 157 HB3 ARG 19 2HB ARG 19 2.057 15.184 9.879 158 HG2 ARG 19 1HG ARG 19 2.052 13.549 7.331 159 HG3 ARG 19 2HG ARG 19 1.746 12.960 8.983 160 HD2 ARG 19 1HD ARG 19 0.098 14.999 7.506 161 HD3 ARG 19 2HD ARG 19 -0.305 13.279 7.718 162 HE ARG 19 HE ARG 19 0.062 14.142 10.274 163 HH11 ARG 19 1HH1 ARG 19 -1.876 15.313 7.588 164 HH12 ARG 19 2HH1 ARG 19 -3.128 15.974 8.616 165 HH21 ARG 19 1HH2 ARG 19 -1.569 15.004 11.598 166 HH22 ARG 19 2HH2 ARG 19 -2.955 15.800 10.885 167 H GLY 20 H GLY 20 4.754 17.092 7.932 168 HA2 GLY 20 1HA GLY 20 5.866 18.971 8.808 169 HA3 GLY 20 2HA GLY 20 4.366 19.520 9.532 170 H ILE 21 H ILE 21 6.093 16.399 9.852 171 HA ILE 21 HA ILE 21 5.941 16.785 12.810 172 HB ILE 21 HB ILE 21 5.891 14.221 11.162 173 HG12 ILE 21 1HG1 ILE 21 3.794 15.469 11.109 174 HG13 ILE 21 2HG1 ILE 21 3.633 13.966 12.004 175 HG21 ILE 21 1HG2 ILE 21 5.579 13.081 13.322 176 HG22 ILE 21 2HG2 ILE 21 7.147 13.919 13.262 177 HG23 ILE 21 3HG2 ILE 21 5.794 14.628 14.174 178 HD11 ILE 21 1HD1 ILE 21 2.455 15.779 13.116 179 HD12 ILE 21 2HD1 ILE 21 3.801 15.196 14.125 180 HD13 ILE 21 3HD1 ILE 21 3.962 16.719 13.218 181 H THR 22 H THR 22 7.740 16.759 13.991 182 HA THR 22 HA THR 22 10.167 15.516 12.763 183 HB THR 22 HB THR 22 10.035 17.731 14.856 184 HG1 THR 22 HG1 THR 22 10.589 17.663 12.072 185 HG21 THR 22 1HG2 THR 22 12.484 17.795 14.596 186 HG22 THR 22 2HG2 THR 22 11.949 16.205 15.190 187 HG23 THR 22 3HG2 THR 22 12.407 16.410 13.483 188 HA PRO 23 HA PRO 23 9.188 12.761 16.115 189 HB2 PRO 23 1HB PRO 23 10.473 10.556 15.118 190 HB3 PRO 23 2HB PRO 23 8.913 11.096 14.484 191 HG2 PRO 23 1HG PRO 23 11.709 11.642 13.397 192 HG3 PRO 23 2HG PRO 23 10.284 11.084 12.516 193 HD2 PRO 23 1HD PRO 23 10.998 13.716 12.541 194 HD3 PRO 23 2HD PRO 23 9.262 13.207 12.516 195 H GLY 24 H GLY 24 10.421 11.784 17.813 196 HA2 GLY 24 1HA GLY 24 13.250 12.747 17.946 197 HA3 GLY 24 2HA GLY 24 12.215 12.465 19.333 198 H TYR 25 H TYR 25 14.837 11.371 18.919 199 HA TYR 25 HA TYR 25 14.174 8.467 18.686 200 HB2 TYR 25 1HB TYR 25 16.686 9.878 17.699 201 HB3 TYR 25 2HB TYR 25 16.457 8.135 17.726 202 HD1 TYR 25 HD1 TYR 25 15.480 11.288 16.114 203 HD2 TYR 25 HD2 TYR 25 14.996 7.025 16.146 204 HE1 TYR 25 HE1 TYR 25 14.441 11.388 13.873 205 HE2 TYR 25 HE2 TYR 25 13.957 7.125 13.905 206 HH TYR 25 HH TYR 25 13.547 10.224 12.206 207 H GLU 26 H GLU 26 15.372 7.024 19.955 208 HA GLU 26 HA GLU 26 17.061 8.226 22.074 209 HB2 GLU 26 1HB GLU 26 14.748 8.213 22.977 210 HB3 GLU 26 2HB GLU 26 14.624 6.491 22.647 211 HG2 GLU 26 1HG GLU 26 16.440 6.045 24.239 212 HG3 GLU 26 2HG GLU 26 16.588 7.771 24.560 213 H LEU 27 H LEU 27 18.756 7.018 22.589 214 HA LEU 27 HA LEU 27 19.255 4.541 21.208 215 HB2 LEU 27 1HB LEU 27 21.060 6.070 21.863 216 HB3 LEU 27 2HB LEU 27 20.671 5.829 23.569 217 HG LEU 27 HG LEU 27 21.302 3.413 23.315 218 HD11 LEU 27 1HD1 LEU 27 22.558 2.755 21.312 219 HD12 LEU 27 2HD1 LEU 27 20.883 3.210 20.918 220 HD13 LEU 27 3HD1 LEU 27 22.216 4.339 20.577 221 HD21 LEU 27 1HD2 LEU 27 23.730 3.869 23.232 222 HD22 LEU 27 2HD2 LEU 27 23.405 5.470 22.524 223 HD23 LEU 27 3HD2 LEU 27 22.878 5.108 24.185 224 H VAL 28 H VAL 28 18.734 2.535 21.707 225 HA VAL 28 HA VAL 28 17.447 2.071 24.346 226 HB VAL 28 HB VAL 28 17.404 0.427 21.779 227 HG11 VAL 28 1HG1 VAL 28 15.671 -0.903 22.880 228 HG12 VAL 28 2HG1 VAL 28 17.230 -1.004 23.732 229 HG13 VAL 28 3HG1 VAL 28 15.923 0.014 24.383 230 HG21 VAL 28 1HG2 VAL 28 15.046 1.169 21.667 231 HG22 VAL 28 2HG2 VAL 28 15.288 2.152 23.131 232 HG23 VAL 28 3HG2 VAL 28 16.160 2.557 21.633 233 H GLN 29 H GLN 29 19.724 0.469 22.084 234 HA GLN 29 HA GLN 29 21.410 -0.494 24.214 235 HB2 GLN 29 1HB GLN 29 19.477 -1.999 24.588 236 HB3 GLN 29 2HB GLN 29 19.550 -2.524 22.912 237 HG2 GLN 29 1HG GLN 29 21.738 -3.517 23.272 238 HG3 GLN 29 2HG GLN 29 21.746 -2.918 24.955 239 HE21 GLN 29 1HE2 GLN 29 20.757 -6.336 25.435 240 HE22 GLN 29 2HE2 GLN 29 22.158 -5.343 25.202 241 H ILE 30 H ILE 30 23.363 -0.998 23.454 242 HA ILE 30 HA ILE 30 23.574 -1.618 20.538 243 HB ILE 30 HB ILE 30 25.658 -0.384 22.391 244 HG12 ILE 30 1HG1 ILE 30 24.197 0.863 20.054 245 HG13 ILE 30 2HG1 ILE 30 23.737 1.088 21.735 246 HG21 ILE 30 1HG2 ILE 30 26.995 -0.131 20.340 247 HG22 ILE 30 2HG2 ILE 30 26.661 -1.845 20.678 248 HG23 ILE 30 3HG2 ILE 30 25.744 -0.994 19.413 249 HD11 ILE 30 1HD1 ILE 30 25.068 2.958 20.932 250 HD12 ILE 30 2HD1 ILE 30 25.933 2.080 22.217 251 HD13 ILE 30 3HD1 ILE 30 26.398 1.854 20.514 252 H GLU 31 H GLU 31 24.036 -3.631 20.051 253 HA GLU 31 HA GLU 31 25.889 -5.179 21.733 254 HB2 GLU 31 1HB GLU 31 24.327 -7.029 22.100 255 HB3 GLU 31 2HB GLU 31 23.708 -5.557 22.836 256 HG2 GLU 31 1HG GLU 31 22.191 -5.232 20.930 257 HG3 GLU 31 2HG GLU 31 22.818 -6.697 20.177 258 H GLY 32 H GLY 32 26.657 -7.090 20.751 259 HA2 GLY 32 1HA GLY 32 26.164 -8.541 18.625 260 HA3 GLY 32 2HA GLY 32 26.365 -7.017 17.780 261 H ALA 33 H ALA 33 28.225 -7.401 16.668 262 HA ALA 33 HA ALA 33 30.544 -8.559 18.060 263 HB1 ALA 33 1HB ALA 33 31.623 -8.458 15.837 264 HB2 ALA 33 2HB ALA 33 30.048 -9.284 15.769 265 HB3 ALA 33 3HB ALA 33 30.199 -7.608 15.193 266 H ILE 34 H ILE 34 32.657 -7.568 17.992 267 HA ILE 34 HA ILE 34 32.628 -4.868 18.933 268 HB ILE 34 HB ILE 34 34.894 -6.673 18.000 269 HG12 ILE 34 1HG1 ILE 34 34.152 -5.755 20.783 270 HG13 ILE 34 2HG1 ILE 34 33.580 -7.256 20.073 271 HG21 ILE 34 1HG2 ILE 34 36.417 -5.034 19.026 272 HG22 ILE 34 2HG2 ILE 34 35.529 -4.315 17.663 273 HG23 ILE 34 3HG2 ILE 34 35.044 -3.944 19.334 274 HD11 ILE 34 1HD1 ILE 34 35.510 -7.641 21.501 275 HD12 ILE 34 2HD1 ILE 34 35.897 -8.028 19.807 276 HD13 ILE 34 3HD1 ILE 34 36.477 -6.508 20.528 277 H HIS 35 H HIS 35 33.605 -6.299 15.813 278 HA HIS 35 HA HIS 35 34.127 -3.615 14.694 279 HB2 HIS 35 1HB HIS 35 34.827 -4.814 12.687 280 HB3 HIS 35 2HB HIS 35 35.623 -5.483 14.104 281 HD2 HIS 35 HD2 HIS 35 33.999 -6.816 11.061 282 HE1 HIS 35 HE1 HIS 35 33.199 -9.743 14.054 283 H GLU 36 H GLU 36 31.502 -5.777 15.006 284 HA GLU 36 HA GLU 36 29.933 -4.061 13.162 285 HB2 GLU 36 1HB GLU 36 30.070 -7.097 13.039 286 HB3 GLU 36 2HB GLU 36 28.765 -6.166 12.318 287 HG2 GLU 36 1HG GLU 36 30.356 -5.017 10.860 288 HG3 GLU 36 2HG GLU 36 31.693 -5.884 11.611 289 HA PRO 37 HA PRO 37 27.733 -4.984 17.086 290 HB2 PRO 37 1HB PRO 37 27.458 -2.433 18.007 291 HB3 PRO 37 2HB PRO 37 28.937 -3.360 18.290 292 HG2 PRO 37 1HG PRO 37 28.368 -1.281 16.135 293 HG3 PRO 37 2HG PRO 37 29.775 -1.400 17.195 294 HD2 PRO 37 1HD PRO 37 29.793 -2.393 14.639 295 HD3 PRO 37 2HD PRO 37 30.737 -3.162 15.978 296 H THR 38 H THR 38 25.489 -4.638 17.427 297 HA THR 38 HA THR 38 24.089 -3.277 15.172 298 HB THR 38 HB THR 38 23.069 -5.375 17.135 299 HG1 THR 38 HG1 THR 38 23.949 -5.426 14.437 300 HG21 THR 38 1HG2 THR 38 21.055 -5.395 15.716 301 HG22 THR 38 2HG2 THR 38 21.301 -3.792 16.447 302 HG23 THR 38 3HG2 THR 38 21.723 -4.066 14.741 303 H PHE 39 H PHE 39 22.783 -1.590 15.477 304 HA PHE 39 HA PHE 39 22.730 -0.505 18.254 305 HB2 PHE 39 1HB PHE 39 22.460 0.900 15.567 306 HB3 PHE 39 2HB PHE 39 22.334 1.696 17.127 307 HD1 PHE 39 HD1 PHE 39 24.633 -0.166 14.900 308 HD2 PHE 39 HD2 PHE 39 24.256 2.328 18.348 309 HE1 PHE 39 HE1 PHE 39 27.083 0.159 14.930 310 HE2 PHE 39 HE2 PHE 39 26.706 2.657 18.380 311 HZ PHE 39 HZ PHE 39 28.120 1.570 16.671 312 H ARG 40 H ARG 40 20.894 -0.381 19.325 313 HA ARG 40 HA ARG 40 18.353 -0.620 17.779 314 HB2 ARG 40 1HB ARG 40 18.909 -1.147 20.719 315 HB3 ARG 40 2HB ARG 40 17.341 -1.299 19.941 316 HG2 ARG 40 1HG ARG 40 18.283 -3.075 18.469 317 HG3 ARG 40 2HG ARG 40 19.805 -2.966 19.387 318 HD2 ARG 40 1HD ARG 40 18.506 -3.449 21.444 319 HD3 ARG 40 2HD ARG 40 17.088 -3.743 20.411 320 HE ARG 40 HE ARG 40 19.422 -5.449 20.758 321 HH11 ARG 40 1HH1 ARG 40 16.631 -4.679 18.768 322 HH12 ARG 40 2HH1 ARG 40 16.564 -6.262 18.028 323 HH21 ARG 40 1HH2 ARG 40 19.326 -7.501 19.789 324 HH22 ARG 40 2HH2 ARG 40 18.089 -7.860 18.605 325 H PHE 41 H PHE 41 17.155 1.123 17.540 326 HA PHE 41 HA PHE 41 17.313 3.233 19.651 327 HB2 PHE 41 1HB PHE 41 17.365 3.492 16.641 328 HB3 PHE 41 2HB PHE 41 16.701 4.789 17.622 329 HD1 PHE 41 HD1 PHE 41 19.751 2.783 16.988 330 HD2 PHE 41 HD2 PHE 41 18.102 6.287 18.793 331 HE1 PHE 41 HE1 PHE 41 22.031 3.656 17.375 332 HE2 PHE 41 HE2 PHE 41 20.381 7.164 19.179 333 HZ PHE 41 HZ PHE 41 22.346 5.846 18.471 334 H ARG 42 H ARG 42 15.426 4.306 20.184 335 HA ARG 42 HA ARG 42 12.936 3.189 18.969 336 HB2 ARG 42 1HB ARG 42 13.206 2.828 21.421 337 HB3 ARG 42 2HB ARG 42 13.289 4.568 21.653 338 HG2 ARG 42 1HG ARG 42 11.001 4.814 20.825 339 HG3 ARG 42 2HG ARG 42 10.913 3.061 20.532 340 HD2 ARG 42 1HD ARG 42 9.841 3.506 22.586 341 HD3 ARG 42 2HD ARG 42 11.398 2.729 22.952 342 HE ARG 42 HE ARG 42 12.182 4.716 23.871 343 HH11 ARG 42 1HH1 ARG 42 9.002 5.164 22.447 344 HH12 ARG 42 2HH1 ARG 42 8.735 6.710 23.221 345 HH21 ARG 42 1HH2 ARG 42 11.823 6.723 24.871 346 HH22 ARG 42 2HH2 ARG 42 10.331 7.593 24.594 347 H VAL 43 H VAL 43 11.263 4.571 18.375 348 HA VAL 43 HA VAL 43 11.977 7.461 18.232 349 HB VAL 43 HB VAL 43 12.568 6.403 16.069 350 HG11 VAL 43 1HG1 VAL 43 10.832 5.420 14.652 351 HG12 VAL 43 2HG1 VAL 43 11.063 4.500 16.157 352 HG13 VAL 43 3HG1 VAL 43 9.659 5.579 15.980 353 HG21 VAL 43 1HG2 VAL 43 11.201 7.874 14.623 354 HG22 VAL 43 2HG2 VAL 43 10.045 8.108 15.957 355 HG23 VAL 43 3HG2 VAL 43 11.710 8.720 16.104 356 H SER 44 H SER 44 10.274 8.895 18.275 357 HA SER 44 HA SER 44 7.533 7.820 18.480 358 HB2 SER 44 1HB SER 44 8.404 7.550 20.752 359 HB3 SER 44 2HB SER 44 8.937 9.224 20.777 360 HG SER 44 HG SER 44 6.280 8.481 20.275 361 H PHE 45 H PHE 45 5.945 9.306 18.089 362 HA PHE 45 HA PHE 45 6.544 12.167 18.239 363 HB2 PHE 45 1HB PHE 45 6.148 12.717 15.950 364 HB3 PHE 45 2HB PHE 45 7.359 11.445 15.945 365 HD1 PHE 45 HD1 PHE 45 3.939 12.352 15.067 366 HD2 PHE 45 HD2 PHE 45 6.792 9.175 15.210 367 HE1 PHE 45 HE1 PHE 45 2.526 11.017 13.540 368 HE2 PHE 45 HE2 PHE 45 5.383 7.838 13.681 369 HZ PHE 45 HZ PHE 45 3.249 8.760 12.847 370 H LYS 46 H LYS 46 4.646 13.509 17.869 371 HA LYS 46 HA LYS 46 2.157 11.992 18.513 372 HB2 LYS 46 1HB LYS 46 2.921 13.601 20.246 373 HB3 LYS 46 2HB LYS 46 2.858 14.903 19.067 374 HG2 LYS 46 1HG LYS 46 0.434 14.629 18.848 375 HG3 LYS 46 2HG LYS 46 0.473 13.265 19.974 376 HD2 LYS 46 1HD LYS 46 1.339 14.749 21.750 377 HD3 LYS 46 2HD LYS 46 1.316 16.114 20.624 378 HE2 LYS 46 1HE LYS 46 -1.132 15.861 20.370 379 HE3 LYS 46 2HE LYS 46 -1.111 14.500 21.493 380 HZ1 LYS 46 1HZ LYS 46 -1.730 16.530 22.580 381 HZ2 LYS 46 2HZ LYS 46 -0.297 15.988 23.190 382 HZ3 LYS 46 3HZ LYS 46 -0.318 17.260 22.141 383 H ASP 47 H ASP 47 0.396 12.123 17.283 384 HA ASP 47 HA ASP 47 -0.140 14.349 15.536 385 HB2 ASP 47 1HB ASP 47 1.706 12.975 14.316 386 HB3 ASP 47 2HB ASP 47 0.449 11.775 14.051 387 H LYS 48 H LYS 48 -2.146 14.145 14.390 388 HA LYS 48 HA LYS 48 -4.405 13.696 14.516 389 HB2 LYS 48 1HB LYS 48 -3.388 10.827 14.622 390 HB3 LYS 48 2HB LYS 48 -5.034 11.310 14.238 391 HG2 LYS 48 1HG LYS 48 -4.186 12.530 12.241 392 HG3 LYS 48 2HG LYS 48 -2.556 11.951 12.615 393 HD2 LYS 48 1HD LYS 48 -3.352 9.609 12.434 394 HD3 LYS 48 2HD LYS 48 -4.974 10.198 12.039 395 HE2 LYS 48 1HE LYS 48 -4.084 11.318 10.026 396 HE3 LYS 48 2HE LYS 48 -2.458 10.756 10.422 397 HZ1 LYS 48 1HZ LYS 48 -3.509 9.351 8.806 398 HZ2 LYS 48 2HZ LYS 48 -3.246 8.501 10.195 399 HZ3 LYS 48 3HZ LYS 48 -4.765 9.026 9.824 400 H ASP 49 H ASP 49 -3.131 14.282 17.005 401 HA ASP 49 HA ASP 49 -3.657 14.303 19.246 402 HB2 ASP 49 1HB ASP 49 -6.294 13.180 18.217 403 HB3 ASP 49 2HB ASP 49 -6.032 13.783 19.848 404 H THR 50 H THR 50 -2.310 11.969 18.163 405 HA THR 50 HA THR 50 -2.620 10.382 20.608 406 HB THR 50 HB THR 50 -4.204 9.233 19.088 407 HG1 THR 50 HG1 THR 50 -1.815 7.699 19.344 408 HG21 THR 50 1HG2 THR 50 -3.356 8.120 17.060 409 HG22 THR 50 2HG2 THR 50 -3.162 9.885 16.944 410 HG23 THR 50 3HG2 THR 50 -1.758 8.858 17.317 411 HA PRO 51 HA PRO 51 1.681 10.266 19.983 412 HB2 PRO 51 1HB PRO 51 2.418 8.539 21.963 413 HB3 PRO 51 2HB PRO 51 1.761 10.140 22.330 414 HG2 PRO 51 1HG PRO 51 0.322 7.452 22.271 415 HG3 PRO 51 2HG PRO 51 0.271 8.692 23.528 416 HD2 PRO 51 1HD PRO 51 -1.670 8.502 21.607 417 HD3 PRO 51 2HD PRO 51 -1.162 10.094 22.301 418 H PHE 52 H PHE 52 3.253 9.026 18.949 419 HA PHE 52 HA PHE 52 2.550 6.175 18.384 420 HB2 PHE 52 1HB PHE 52 3.954 8.163 16.554 421 HB3 PHE 52 2HB PHE 52 3.784 6.446 16.222 422 HD1 PHE 52 HD1 PHE 52 2.055 9.667 16.407 423 HD2 PHE 52 HD2 PHE 52 1.635 5.491 15.608 424 HE1 PHE 52 HE1 PHE 52 -0.136 10.092 15.344 425 HE2 PHE 52 HE2 PHE 52 -0.555 5.912 14.542 426 HZ PHE 52 HZ PHE 52 -1.441 8.214 14.412 427 H THR 53 H THR 53 4.200 4.669 18.390 428 HA THR 53 HA THR 53 6.953 5.576 18.907 429 HB THR 53 HB THR 53 5.973 5.451 21.188 430 HG1 THR 53 HG1 THR 53 7.753 3.286 20.630 431 HG21 THR 53 1HG2 THR 53 5.273 3.264 22.081 432 HG22 THR 53 2HG2 THR 53 4.234 3.759 20.724 433 HG23 THR 53 3HG2 THR 53 5.497 2.532 20.476 434 H ALA 54 H ALA 54 8.520 4.095 18.384 435 HA ALA 54 HA ALA 54 7.819 1.316 17.874 436 HB1 ALA 54 1HB ALA 54 8.479 1.331 15.490 437 HB2 ALA 54 2HB ALA 54 7.033 2.327 15.781 438 HB3 ALA 54 3HB ALA 54 8.617 3.103 15.548 439 H MET 55 H MET 55 9.654 -0.011 17.335 440 HA MET 55 HA MET 55 12.252 1.305 17.991 441 HB2 MET 55 1HB MET 55 11.326 0.132 19.989 442 HB3 MET 55 2HB MET 55 11.262 -1.365 19.070 443 HG2 MET 55 1HG MET 55 13.717 -1.314 18.815 444 HG3 MET 55 2HG MET 55 13.779 0.188 19.740 445 HE1 MET 55 1HE MET 55 12.571 -0.960 23.285 446 HE2 MET 55 2HE MET 55 13.196 0.389 22.305 447 HE3 MET 55 3HE MET 55 11.576 -0.272 21.979 448 H GLY 56 H GLY 56 13.919 0.804 16.749 449 HA2 GLY 56 1HA GLY 56 13.706 -1.603 14.990 450 HA3 GLY 56 2HA GLY 56 14.041 -0.035 14.280 451 H ALA 57 H ALA 57 15.934 -1.594 13.635 452 HA ALA 57 HA ALA 57 18.237 -0.770 15.221 453 HB1 ALA 57 1HB ALA 57 19.093 -3.060 15.594 454 HB2 ALA 57 2HB ALA 57 17.565 -2.779 16.462 455 HB3 ALA 57 3HB ALA 57 17.572 -3.725 14.955 456 H GLY 58 H GLY 58 20.257 -1.167 14.191 457 HA2 GLY 58 1HA GLY 58 20.267 -2.272 11.473 458 HA3 GLY 58 2HA GLY 58 20.402 -0.525 11.525 459 H ARG 59 H ARG 59 22.511 -1.222 10.446 460 HA ARG 59 HA ARG 59 24.518 -2.438 12.190 461 HB2 ARG 59 1HB ARG 59 24.707 -1.232 9.410 462 HB3 ARG 59 2HB ARG 59 26.043 -2.012 10.244 463 HG2 ARG 59 1HG ARG 59 25.000 -4.139 10.153 464 HG3 ARG 59 2HG ARG 59 23.438 -3.433 9.673 465 HD2 ARG 59 1HD ARG 59 25.961 -3.303 8.041 466 HD3 ARG 59 2HD ARG 59 24.658 -4.494 7.824 467 HE ARG 59 HE ARG 59 23.475 -1.961 7.748 468 HH11 ARG 59 1HH1 ARG 59 25.818 -3.813 5.898 469 HH12 ARG 59 2HH1 ARG 59 25.431 -3.027 4.384 470 HH21 ARG 59 1HH2 ARG 59 22.981 -0.948 5.776 471 HH22 ARG 59 2HH2 ARG 59 23.825 -1.406 4.314 472 H SER 60 H SER 60 23.383 0.730 11.503 473 HA SER 60 HA SER 60 25.601 1.809 13.168 474 HB2 SER 60 1HB SER 60 25.839 3.749 11.754 475 HB3 SER 60 2HB SER 60 26.075 2.309 10.775 476 HG SER 60 HG SER 60 24.513 2.920 9.621 477 H LYS 61 H LYS 61 25.080 4.051 13.966 478 HA LYS 61 HA LYS 61 22.605 4.005 15.369 479 HB2 LYS 61 1HB LYS 61 24.567 6.261 14.813 480 HB3 LYS 61 2HB LYS 61 23.166 6.442 15.860 481 HG2 LYS 61 1HG LYS 61 24.033 4.668 17.339 482 HG3 LYS 61 2HG LYS 61 25.441 4.483 16.284 483 HD2 LYS 61 1HD LYS 61 26.067 6.841 16.704 484 HD3 LYS 61 2HD LYS 61 24.659 7.024 17.760 485 HE2 LYS 61 1HE LYS 61 25.543 5.295 19.271 486 HE3 LYS 61 2HE LYS 61 26.929 5.050 18.205 487 HZ1 LYS 61 1HZ LYS 61 27.467 6.479 20.037 488 HZ2 LYS 61 2HZ LYS 61 27.578 7.322 18.623 489 HZ3 LYS 61 3HZ LYS 61 26.284 7.550 19.620 490 H LYS 62 H LYS 62 23.605 5.758 12.436 491 HA LYS 62 HA LYS 62 21.139 7.202 12.153 492 HB2 LYS 62 1HB LYS 62 23.283 7.842 11.042 493 HB3 LYS 62 2HB LYS 62 23.160 6.421 10.014 494 HG2 LYS 62 1HG LYS 62 21.124 7.281 8.989 495 HG3 LYS 62 2HG LYS 62 21.128 8.669 10.086 496 HD2 LYS 62 1HD LYS 62 23.414 9.272 9.159 497 HD3 LYS 62 2HD LYS 62 23.173 8.010 7.941 498 HE2 LYS 62 1HE LYS 62 21.250 10.319 8.385 499 HE3 LYS 62 2HE LYS 62 22.548 10.336 7.189 500 HZ1 LYS 62 1HZ LYS 62 20.470 9.668 6.227 501 HZ2 LYS 62 2HZ LYS 62 21.543 8.416 6.157 502 HZ3 LYS 62 3HZ LYS 62 20.329 8.402 7.274 503 H GLU 63 H GLU 63 22.344 4.186 10.670 504 HA GLU 63 HA GLU 63 20.050 3.712 9.054 505 HB2 GLU 63 1HB GLU 63 22.237 2.544 8.789 506 HB3 GLU 63 2HB GLU 63 21.953 1.684 10.295 507 HG2 GLU 63 1HG GLU 63 20.090 0.500 9.365 508 HG3 GLU 63 2HG GLU 63 20.101 1.501 7.915 509 H ALA 64 H ALA 64 20.834 2.747 12.386 510 HA ALA 64 HA ALA 64 18.559 1.098 12.804 511 HB1 ALA 64 1HB ALA 64 18.975 1.487 15.211 512 HB2 ALA 64 2HB ALA 64 20.479 1.126 14.332 513 HB3 ALA 64 3HB ALA 64 20.100 2.801 14.796 514 H LYS 65 H LYS 65 19.035 4.593 13.255 515 HA LYS 65 HA LYS 65 16.455 5.145 14.329 516 HB2 LYS 65 1HB LYS 65 18.396 6.830 12.712 517 HB3 LYS 65 2HB LYS 65 16.881 7.470 13.332 518 HG2 LYS 65 1HG LYS 65 17.591 6.982 15.632 519 HG3 LYS 65 2HG LYS 65 19.102 6.289 15.026 520 HD2 LYS 65 1HD LYS 65 19.683 8.477 14.005 521 HD3 LYS 65 2HD LYS 65 18.185 9.164 14.649 522 HE2 LYS 65 1HE LYS 65 18.938 8.679 16.947 523 HE3 LYS 65 2HE LYS 65 20.422 7.958 16.320 524 HZ1 LYS 65 1HZ LYS 65 20.762 10.215 17.013 525 HZ2 LYS 65 2HZ LYS 65 20.995 10.092 15.384 526 HZ3 LYS 65 3HZ LYS 65 19.608 10.766 15.971 527 H HIS 66 H HIS 66 17.622 4.919 10.983 528 HA HIS 66 HA HIS 66 15.157 5.735 9.747 529 HB2 HIS 66 1HB HIS 66 17.474 4.043 8.754 530 HB3 HIS 66 2HB HIS 66 16.100 4.481 7.747 531 HD2 HIS 66 HD2 HIS 66 19.576 5.804 8.062 532 HE1 HIS 66 HE1 HIS 66 17.137 9.257 7.638 533 H ALA 67 H ALA 67 16.441 2.573 10.734 534 HA ALA 67 HA ALA 67 14.311 1.023 9.647 535 HB1 ALA 67 1HB ALA 67 15.053 -0.722 11.236 536 HB2 ALA 67 2HB ALA 67 16.428 0.027 10.388 537 HB3 ALA 67 3HB ALA 67 16.066 0.480 12.069 538 H ALA 68 H ALA 68 14.755 2.509 12.854 539 HA ALA 68 HA ALA 68 12.299 1.554 13.951 540 HB1 ALA 68 1HB ALA 68 12.587 3.364 15.613 541 HB2 ALA 68 2HB ALA 68 14.101 2.466 15.346 542 HB3 ALA 68 3HB ALA 68 13.875 4.069 14.609 543 H ALA 69 H ALA 69 13.120 4.510 12.158 544 HA ALA 69 HA ALA 69 10.516 5.688 12.397 545 HB1 ALA 69 1HB ALA 69 11.255 7.151 10.545 546 HB2 ALA 69 2HB ALA 69 12.499 7.008 11.809 547 HB3 ALA 69 3HB ALA 69 12.667 6.100 10.289 548 H ARG 70 H ARG 70 11.961 3.433 10.099 549 HA ARG 70 HA ARG 70 9.794 3.437 8.225 550 HB2 ARG 70 1HB ARG 70 12.059 2.462 7.804 551 HB3 ARG 70 2HB ARG 70 11.682 1.161 8.924 552 HG2 ARG 70 1HG ARG 70 9.972 0.302 7.491 553 HG3 ARG 70 2HG ARG 70 10.059 1.733 6.435 554 HD2 ARG 70 1HD ARG 70 12.339 1.148 5.836 555 HD3 ARG 70 2HD ARG 70 12.245 -0.285 6.884 556 HE ARG 70 HE ARG 70 10.085 -0.465 5.146 557 HH11 ARG 70 1HH1 ARG 70 13.585 -0.326 4.886 558 HH12 ARG 70 2HH1 ARG 70 13.639 -1.275 3.417 559 HH21 ARG 70 1HH2 ARG 70 10.168 -1.696 3.240 560 HH22 ARG 70 2HH2 ARG 70 11.706 -2.051 2.485 561 H ALA 71 H ALA 71 10.409 1.656 11.228 562 HA ALA 71 HA ALA 71 8.195 -0.117 11.072 563 HB1 ALA 71 1HB ALA 71 8.393 -0.252 13.534 564 HB2 ALA 71 2HB ALA 71 9.981 -0.361 12.738 565 HB3 ALA 71 3HB ALA 71 9.478 1.157 13.516 566 H LEU 72 H LEU 72 8.445 3.217 12.286 567 HA LEU 72 HA LEU 72 5.761 3.523 13.132 568 HB2 LEU 72 1HB LEU 72 7.759 5.459 11.934 569 HB3 LEU 72 2HB LEU 72 6.152 5.970 12.460 570 HG LEU 72 HG LEU 72 8.237 4.692 14.264 571 HD11 LEU 72 1HD1 LEU 72 8.507 6.957 15.172 572 HD12 LEU 72 2HD1 LEU 72 8.957 6.880 13.452 573 HD13 LEU 72 3HD1 LEU 72 7.396 7.586 13.933 574 HD21 LEU 72 1HD2 LEU 72 6.709 5.444 16.055 575 HD22 LEU 72 2HD2 LEU 72 5.571 6.053 14.829 576 HD23 LEU 72 3HD2 LEU 72 5.894 4.307 14.954 577 H ILE 73 H ILE 73 7.234 4.050 9.920 578 HA ILE 73 HA ILE 73 4.893 4.934 8.602 579 HB ILE 73 HB ILE 73 7.325 3.427 7.565 580 HG12 ILE 73 1HG1 ILE 73 6.542 6.330 7.246 581 HG13 ILE 73 2HG1 ILE 73 7.592 5.741 8.525 582 HG21 ILE 73 1HG2 ILE 73 6.582 4.087 5.313 583 HG22 ILE 73 2HG2 ILE 73 5.400 3.003 6.084 584 HG23 ILE 73 3HG2 ILE 73 5.080 4.751 5.998 585 HD11 ILE 73 1HD1 ILE 73 8.886 6.646 6.676 586 HD12 ILE 73 2HD1 ILE 73 9.181 4.899 6.851 587 HD13 ILE 73 3HD1 ILE 73 8.119 5.497 5.555 588 H ASP 74 H ASP 74 6.181 1.638 9.042 589 HA ASP 74 HA ASP 74 4.223 0.238 7.577 590 HB2 ASP 74 1HB ASP 74 5.784 -0.511 10.074 591 HB3 ASP 74 2HB ASP 74 4.701 -1.638 9.268 592 H LYS 75 H LYS 75 4.173 1.339 10.966 593 HA LYS 75 HA LYS 75 1.606 0.189 11.561 594 HB2 LYS 75 1HB LYS 75 3.174 2.455 12.847 595 HB3 LYS 75 2HB LYS 75 1.649 1.856 13.484 596 HG2 LYS 75 1HG LYS 75 2.661 -0.394 13.756 597 HG3 LYS 75 2HG LYS 75 4.200 0.249 13.165 598 HD2 LYS 75 1HD LYS 75 4.222 1.885 15.034 599 HD3 LYS 75 2HD LYS 75 2.700 1.207 15.632 600 HE2 LYS 75 1HE LYS 75 3.843 -1.022 15.840 601 HE3 LYS 75 2HE LYS 75 5.361 -0.242 15.390 602 HZ1 LYS 75 1HZ LYS 75 5.128 -0.417 17.757 603 HZ2 LYS 75 2HZ LYS 75 5.139 1.172 17.315 604 HZ3 LYS 75 3HZ LYS 75 3.721 0.443 17.737 605 H LEU 76 H LEU 76 2.644 3.267 10.193 606 HA LEU 76 HA LEU 76 0.103 4.586 10.510 607 HB2 LEU 76 1HB LEU 76 2.478 5.103 8.693 608 HB3 LEU 76 2HB LEU 76 1.057 6.149 8.748 609 HG LEU 76 HG LEU 76 2.860 5.578 11.125 610 HD11 LEU 76 1HD1 LEU 76 3.724 7.843 10.736 611 HD12 LEU 76 2HD1 LEU 76 4.061 6.765 9.361 612 HD13 LEU 76 3HD1 LEU 76 2.747 7.961 9.254 613 HD21 LEU 76 1HD2 LEU 76 1.651 7.497 12.107 614 HD22 LEU 76 2HD2 LEU 76 0.643 7.611 10.644 615 HD23 LEU 76 3HD2 LEU 76 0.530 6.178 11.693 616 H ILE 77 H ILE 77 1.593 2.669 7.928 617 HA ILE 77 HA ILE 77 -0.749 3.136 6.185 618 HB ILE 77 HB ILE 77 0.523 1.943 4.467 619 HG12 ILE 77 1HG1 ILE 77 2.613 1.430 6.595 620 HG13 ILE 77 2HG1 ILE 77 1.483 0.231 5.986 621 HG21 ILE 77 1HG2 ILE 77 2.488 3.418 4.314 622 HG22 ILE 77 2HG2 ILE 77 1.047 4.325 4.830 623 HG23 ILE 77 3HG2 ILE 77 2.285 3.871 6.023 624 HD11 ILE 77 1HD1 ILE 77 3.657 0.007 4.921 625 HD12 ILE 77 2HD1 ILE 77 2.421 0.474 3.728 626 HD13 ILE 77 3HD1 ILE 77 3.567 1.687 4.345 627 H GLY 78 H GLY 78 0.410 0.857 8.471 628 HA2 GLY 78 1HA GLY 78 -0.738 -0.970 9.363 629 HA3 GLY 78 2HA GLY 78 -2.035 -0.693 8.215 630 H ALA 79 H ALA 79 1.414 -1.200 7.484 631 HA ALA 79 HA ALA 79 1.179 -3.919 6.649 632 HB1 ALA 79 1HB ALA 79 1.194 -3.594 4.197 633 HB2 ALA 79 2HB ALA 79 -0.317 -3.006 4.931 634 HB3 ALA 79 3HB ALA 79 0.940 -1.850 4.435 635 H GLN 80 H GLN 80 3.033 -4.578 5.202 636 HA GLN 80 HA GLN 80 5.475 -3.348 6.177 637 HB2 GLN 80 1HB GLN 80 5.428 -5.747 5.804 638 HB3 GLN 80 2HB GLN 80 4.950 -5.532 4.126 639 HG2 GLN 80 1HG GLN 80 7.263 -6.112 4.198 640 HG3 GLN 80 2HG GLN 80 7.131 -4.403 3.696 641 HE21 GLN 80 1HE2 GLN 80 9.311 -3.317 6.148 642 HE22 GLN 80 2HE2 GLN 80 8.617 -3.137 4.571 643 H LEU 81 H LEU 81 6.372 -1.582 5.428 644 HA LEU 81 HA LEU 81 5.672 -0.312 2.980 645 HB2 LEU 81 1HB LEU 81 6.761 0.784 4.953 646 HB3 LEU 81 2HB LEU 81 8.264 -0.050 4.545 647 HG LEU 81 HG LEU 81 8.190 1.152 2.303 648 HD11 LEU 81 1HD1 LEU 81 6.790 3.165 2.188 649 HD12 LEU 81 2HD1 LEU 81 5.807 1.686 2.310 650 HD13 LEU 81 3HD1 LEU 81 6.033 2.726 3.737 651 HD21 LEU 81 1HD2 LEU 81 9.046 3.253 3.286 652 HD22 LEU 81 2HD2 LEU 81 8.320 2.816 4.852 653 HD23 LEU 81 3HD2 LEU 81 9.646 1.836 4.181 654 HA PRO 82 HA PRO 82 7.996 -2.950 0.302 655 HB2 PRO 82 1HB PRO 82 7.146 -1.888 -2.066 656 HB3 PRO 82 2HB PRO 82 6.090 -2.898 -1.071 657 HG2 PRO 82 1HG PRO 82 6.238 0.144 -1.218 658 HG3 PRO 82 2HG PRO 82 4.805 -0.885 -1.303 659 HD2 PRO 82 1HD PRO 82 5.573 0.307 1.032 660 HD3 PRO 82 2HD PRO 82 4.795 -1.326 1.009 661 H GLU 83 H GLU 83 9.660 -2.613 -1.407 662 HA GLU 83 HA GLU 83 11.309 -0.267 -0.778 663 HB2 GLU 83 1HB GLU 83 11.791 -2.638 -2.629 664 HB3 GLU 83 2HB GLU 83 12.972 -1.384 -2.281 665 HG2 GLU 83 1HG GLU 83 11.743 -3.182 -0.182 666 HG3 GLU 83 2HG GLU 83 13.268 -3.507 -1.004 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 6.117 13.859 -4.905 2 H2 ASN 1 2H ASN 1 7.516 14.414 -5.536 3 H3 ASN 1 3H ASN 1 7.148 12.827 -5.638 4 HA ASN 1 HA ASN 1 7.701 14.325 -3.203 5 HB2 ASN 1 1HB ASN 1 6.899 11.444 -3.682 6 HB3 ASN 1 2HB ASN 1 7.695 11.970 -2.206 7 HD21 ASN 1 1HD2 ASN 1 3.960 12.006 -1.852 8 HD22 ASN 1 2HD2 ASN 1 5.095 10.827 -2.421 9 H GLY 2 H GLY 2 8.720 11.387 -4.986 10 HA2 GLY 2 1HA GLY 2 10.857 10.874 -5.813 11 HA3 GLY 2 2HA GLY 2 11.449 12.418 -5.227 12 H LEU 3 H LEU 3 9.645 10.364 -3.061 13 HA LEU 3 HA LEU 3 11.972 10.152 -1.300 14 HB2 LEU 3 1HB LEU 3 9.125 9.125 -1.034 15 HB3 LEU 3 2HB LEU 3 10.356 9.011 0.228 16 HG LEU 3 HG LEU 3 9.292 11.618 -0.916 17 HD11 LEU 3 1HD1 LEU 3 8.082 11.796 1.212 18 HD12 LEU 3 2HD1 LEU 3 7.556 10.379 0.273 19 HD13 LEU 3 3HD1 LEU 3 8.643 10.170 1.667 20 HD21 LEU 3 1HD2 LEU 3 10.456 12.594 1.034 21 HD22 LEU 3 2HD2 LEU 3 11.051 10.979 1.487 22 HD23 LEU 3 3HD2 LEU 3 11.597 11.735 -0.029 23 H ALA 4 H ALA 4 13.128 8.376 -0.776 24 HA ALA 4 HA ALA 4 12.753 6.044 -2.568 25 HB1 ALA 4 1HB ALA 4 15.042 5.421 -1.866 26 HB2 ALA 4 2HB ALA 4 14.982 7.071 -2.529 27 HB3 ALA 4 3HB ALA 4 15.079 6.821 -0.771 28 H MET 5 H MET 5 12.258 4.050 -1.908 29 HA MET 5 HA MET 5 10.996 3.759 0.654 30 HB2 MET 5 1HB MET 5 11.825 1.669 -1.396 31 HB3 MET 5 2HB MET 5 10.794 1.354 -0.009 32 HG2 MET 5 1HG MET 5 10.163 3.224 -2.310 33 HG3 MET 5 2HG MET 5 9.480 1.618 -2.043 34 HE1 MET 5 1HE MET 5 8.103 5.554 -0.278 35 HE2 MET 5 2HE MET 5 9.842 5.242 -0.499 36 HE3 MET 5 3HE MET 5 8.741 5.184 -1.897 37 H LYS 6 H LYS 6 14.245 3.325 -0.436 38 HA LYS 6 HA LYS 6 14.965 1.468 1.709 39 HB2 LYS 6 1HB LYS 6 17.199 1.574 0.809 40 HB3 LYS 6 2HB LYS 6 16.079 1.458 -0.542 41 HG2 LYS 6 1HG LYS 6 16.276 3.913 -0.889 42 HG3 LYS 6 2HG LYS 6 17.458 3.978 0.426 43 HD2 LYS 6 1HD LYS 6 18.920 2.410 -0.812 44 HD3 LYS 6 2HD LYS 6 17.738 2.349 -2.128 45 HE2 LYS 6 1HE LYS 6 18.008 4.792 -2.469 46 HE3 LYS 6 2HE LYS 6 19.208 4.835 -1.175 47 HZ1 LYS 6 1HZ LYS 6 20.233 4.710 -3.325 48 HZ2 LYS 6 2HZ LYS 6 20.571 3.341 -2.467 49 HZ3 LYS 6 3HZ LYS 6 19.450 3.302 -3.677 50 H THR 7 H THR 7 14.209 4.660 1.707 51 HA THR 7 HA THR 7 15.974 5.125 4.071 52 HB THR 7 HB THR 7 15.953 7.565 3.489 53 HG1 THR 7 HG1 THR 7 14.231 6.645 1.582 54 HG21 THR 7 1HG2 THR 7 17.583 7.407 1.648 55 HG22 THR 7 2HG2 THR 7 17.869 6.137 2.862 56 HG23 THR 7 3HG2 THR 7 17.064 5.736 1.327 57 HA PRO 8 HA PRO 8 11.477 5.131 5.195 58 HB2 PRO 8 1HB PRO 8 12.983 4.312 7.723 59 HB3 PRO 8 2HB PRO 8 11.393 3.779 7.163 60 HG2 PRO 8 1HG PRO 8 13.458 2.164 6.754 61 HG3 PRO 8 2HG PRO 8 12.305 2.406 5.438 62 HD2 PRO 8 1HD PRO 8 15.056 3.631 5.830 63 HD3 PRO 8 2HD PRO 8 14.271 3.045 4.309 64 H VAL 9 H VAL 9 14.383 6.245 6.970 65 HA VAL 9 HA VAL 9 13.079 8.107 8.671 66 HB VAL 9 HB VAL 9 15.912 8.033 7.559 67 HG11 VAL 9 1HG1 VAL 9 16.504 9.642 9.304 68 HG12 VAL 9 2HG1 VAL 9 15.360 10.327 8.127 69 HG13 VAL 9 3HG1 VAL 9 14.785 9.811 9.730 70 HG21 VAL 9 1HG2 VAL 9 16.444 7.219 9.834 71 HG22 VAL 9 2HG2 VAL 9 14.721 7.311 10.268 72 HG23 VAL 9 3HG2 VAL 9 15.266 6.156 9.029 73 H SER 10 H SER 10 14.562 8.511 5.450 74 HA SER 10 HA SER 10 14.134 11.329 5.273 75 HB2 SER 10 1HB SER 10 14.368 9.204 3.118 76 HB3 SER 10 2HB SER 10 14.360 10.932 2.802 77 HG SER 10 HG SER 10 16.421 10.407 2.977 78 H ILE 11 H ILE 11 12.107 8.541 4.462 79 HA ILE 11 HA ILE 11 10.054 9.940 3.086 80 HB ILE 11 HB ILE 11 9.994 7.404 4.766 81 HG12 ILE 11 1HG1 ILE 11 9.807 7.762 1.771 82 HG13 ILE 11 2HG1 ILE 11 11.320 7.486 2.619 83 HG21 ILE 11 1HG2 ILE 11 7.784 6.974 3.771 84 HG22 ILE 11 2HG2 ILE 11 7.757 8.441 4.776 85 HG23 ILE 11 3HG2 ILE 11 7.812 8.579 3.003 86 HD11 ILE 11 1HD1 ILE 11 10.439 5.414 1.700 87 HD12 ILE 11 2HD1 ILE 11 10.462 5.350 3.479 88 HD13 ILE 11 3HD1 ILE 11 8.930 5.628 2.618 89 H LEU 12 H LEU 12 10.298 9.050 6.546 90 HA LEU 12 HA LEU 12 7.911 10.446 7.306 91 HB2 LEU 12 1HB LEU 12 10.345 9.518 8.858 92 HB3 LEU 12 2HB LEU 12 8.971 10.316 9.629 93 HG LEU 12 HG LEU 12 8.846 7.691 8.102 94 HD11 LEU 12 1HD1 LEU 12 8.525 6.701 10.325 95 HD12 LEU 12 2HD1 LEU 12 10.104 7.510 10.187 96 HD13 LEU 12 3HD1 LEU 12 8.775 8.297 11.071 97 HD21 LEU 12 1HD2 LEU 12 6.560 7.583 9.035 98 HD22 LEU 12 2HD2 LEU 12 6.781 9.192 9.764 99 HD23 LEU 12 3HD2 LEU 12 6.759 9.013 7.994 100 H GLN 13 H GLN 13 11.329 11.373 7.148 101 HA GLN 13 HA GLN 13 11.212 13.845 8.471 102 HB2 GLN 13 1HB GLN 13 13.304 12.803 7.638 103 HB3 GLN 13 2HB GLN 13 12.815 13.132 5.982 104 HG2 GLN 13 1HG GLN 13 14.408 14.776 6.645 105 HG3 GLN 13 2HG GLN 13 12.813 15.570 6.520 106 HE21 GLN 13 1HE2 GLN 13 13.190 16.976 9.660 107 HE22 GLN 13 2HE2 GLN 13 12.739 17.136 7.995 108 H GLU 14 H GLU 14 10.559 13.144 5.028 109 HA GLU 14 HA GLU 14 9.899 15.874 4.389 110 HB2 GLU 14 1HB GLU 14 10.608 14.268 2.665 111 HB3 GLU 14 2HB GLU 14 9.197 13.268 2.978 112 HG2 GLU 14 1HG GLU 14 8.807 14.517 0.988 113 HG3 GLU 14 2HG GLU 14 7.743 15.146 2.245 114 H LEU 15 H LEU 15 7.918 12.985 5.101 115 HA LEU 15 HA LEU 15 5.428 14.271 4.527 116 HB2 LEU 15 1HB LEU 15 6.115 11.827 6.190 117 HB3 LEU 15 2HB LEU 15 4.460 12.335 5.842 118 HG LEU 15 HG LEU 15 6.512 11.557 3.740 119 HD11 LEU 15 1HD1 LEU 15 5.185 9.501 3.540 120 HD12 LEU 15 2HD1 LEU 15 5.900 9.667 5.161 121 HD13 LEU 15 3HD1 LEU 15 4.174 10.020 4.908 122 HD21 LEU 15 1HD2 LEU 15 4.540 11.554 2.249 123 HD22 LEU 15 2HD2 LEU 15 3.518 12.103 3.599 124 HD23 LEU 15 3HD2 LEU 15 4.799 13.163 2.965 125 H LEU 16 H LEU 16 7.242 13.767 7.544 126 HA LEU 16 HA LEU 16 5.121 14.835 9.208 127 HB2 LEU 16 1HB LEU 16 8.062 14.303 9.755 128 HB3 LEU 16 2HB LEU 16 6.897 14.806 10.983 129 HG LEU 16 HG LEU 16 6.791 12.214 9.400 130 HD11 LEU 16 1HD1 LEU 16 7.365 11.181 11.551 131 HD12 LEU 16 2HD1 LEU 16 8.639 12.291 10.995 132 HD13 LEU 16 3HD1 LEU 16 7.520 12.794 12.284 133 HD21 LEU 16 1HD2 LEU 16 4.968 11.647 10.970 134 HD22 LEU 16 2HD2 LEU 16 5.089 13.268 11.696 135 HD23 LEU 16 3HD2 LEU 16 4.559 13.087 10.006 136 H SER 17 H SER 17 8.029 16.124 7.673 137 HA SER 17 HA SER 17 8.010 18.695 8.893 138 HB2 SER 17 1HB SER 17 8.855 17.797 6.121 139 HB3 SER 17 2HB SER 17 9.139 19.412 6.751 140 HG SER 17 HG SER 17 10.064 16.961 7.765 141 H ARG 18 H ARG 18 6.258 17.397 6.084 142 HA ARG 18 HA ARG 18 4.952 19.856 5.396 143 HB2 ARG 18 1HB ARG 18 4.169 16.961 4.933 144 HB3 ARG 18 2HB ARG 18 3.290 18.327 4.264 145 HG2 ARG 18 1HG ARG 18 5.226 19.003 2.966 146 HG3 ARG 18 2HG ARG 18 6.206 17.719 3.715 147 HD2 ARG 18 1HD ARG 18 4.579 16.072 2.800 148 HD3 ARG 18 2HD ARG 18 3.830 17.412 1.902 149 HE ARG 18 HE ARG 18 6.615 17.401 1.396 150 HH11 ARG 18 1HH1 ARG 18 3.730 15.516 0.717 151 HH12 ARG 18 2HH1 ARG 18 4.344 14.889 -0.796 152 HH21 ARG 18 1HH2 ARG 18 7.401 16.580 -0.569 153 HH22 ARG 18 2HH2 ARG 18 6.422 15.490 -1.525 154 H ARG 19 H ARG 19 4.185 17.231 7.644 155 HA ARG 19 HA ARG 19 1.541 18.264 8.267 156 HB2 ARG 19 1HB ARG 19 3.320 16.229 9.647 157 HB3 ARG 19 2HB ARG 19 1.698 16.631 10.190 158 HG2 ARG 19 1HG ARG 19 2.315 15.568 7.425 159 HG3 ARG 19 2HG ARG 19 1.870 14.553 8.818 160 HD2 ARG 19 1HD ARG 19 0.207 16.796 7.697 161 HD3 ARG 19 2HD ARG 19 -0.021 15.065 7.356 162 HE ARG 19 HE ARG 19 -0.087 15.160 10.073 163 HH11 ARG 19 1HH1 ARG 19 -1.776 16.947 7.563 164 HH12 ARG 19 2HH1 ARG 19 -3.213 17.191 8.530 165 HH21 ARG 19 1HH2 ARG 19 -1.959 15.484 11.318 166 HH22 ARG 19 2HH2 ARG 19 -3.318 16.364 10.655 167 H GLY 20 H GLY 20 4.798 18.720 9.487 168 HA2 GLY 20 1HA GLY 20 5.449 20.583 10.843 169 HA3 GLY 20 2HA GLY 20 3.789 20.778 11.373 170 H ILE 21 H ILE 21 5.177 17.578 11.287 171 HA ILE 21 HA ILE 21 5.081 17.533 14.263 172 HB ILE 21 HB ILE 21 5.019 15.222 12.274 173 HG12 ILE 21 1HG1 ILE 21 2.999 16.543 12.117 174 HG13 ILE 21 2HG1 ILE 21 2.665 15.008 12.904 175 HG21 ILE 21 1HG2 ILE 21 4.416 13.869 14.240 176 HG22 ILE 21 2HG2 ILE 21 6.020 14.611 14.442 177 HG23 ILE 21 3HG2 ILE 21 4.612 15.295 15.287 178 HD11 ILE 21 1HD1 ILE 21 1.485 16.829 13.999 179 HD12 ILE 21 2HD1 ILE 21 2.687 16.113 15.098 180 HD13 ILE 21 3HD1 ILE 21 3.024 17.668 14.302 181 H THR 22 H THR 22 6.855 17.337 15.430 182 HA THR 22 HA THR 22 9.378 16.602 14.032 183 HB THR 22 HB THR 22 8.933 17.924 16.743 184 HG1 THR 22 HG1 THR 22 9.622 18.857 14.154 185 HG21 THR 22 1HG2 THR 22 11.374 18.257 16.728 186 HG22 THR 22 2HG2 THR 22 10.969 16.525 16.703 187 HG23 THR 22 3HG2 THR 22 11.495 17.337 15.211 188 HA PRO 23 HA PRO 23 8.864 12.726 16.129 189 HB2 PRO 23 1HB PRO 23 10.723 11.328 14.698 190 HB3 PRO 23 2HB PRO 23 9.147 11.742 14.013 191 HG2 PRO 23 1HG PRO 23 11.817 13.170 13.662 192 HG3 PRO 23 2HG PRO 23 10.659 12.697 12.416 193 HD2 PRO 23 1HD PRO 23 10.717 15.234 13.437 194 HD3 PRO 23 2HD PRO 23 9.173 14.450 12.913 195 H GLY 24 H GLY 24 10.124 11.556 17.646 196 HA2 GLY 24 1HA GLY 24 12.614 12.978 18.507 197 HA3 GLY 24 2HA GLY 24 11.526 12.123 19.584 198 H TYR 25 H TYR 25 14.499 11.906 18.597 199 HA TYR 25 HA TYR 25 14.423 8.957 18.116 200 HB2 TYR 25 1HB TYR 25 16.558 11.010 17.409 201 HB3 TYR 25 2HB TYR 25 16.765 9.272 17.239 202 HD1 TYR 25 HD1 TYR 25 14.754 12.172 16.075 203 HD2 TYR 25 HD2 TYR 25 15.937 8.109 15.364 204 HE1 TYR 25 HE1 TYR 25 13.742 12.271 13.822 205 HE2 TYR 25 HE2 TYR 25 14.925 8.209 13.111 206 HH TYR 25 HH TYR 25 13.466 11.202 11.880 207 H GLU 26 H GLU 26 15.731 7.589 19.286 208 HA GLU 26 HA GLU 26 17.182 8.731 21.597 209 HB2 GLU 26 1HB GLU 26 14.843 8.457 22.381 210 HB3 GLU 26 2HB GLU 26 14.874 6.767 21.900 211 HG2 GLU 26 1HG GLU 26 16.660 6.329 23.535 212 HG3 GLU 26 2HG GLU 26 16.636 8.025 24.014 213 H LEU 27 H LEU 27 19.083 7.773 21.664 214 HA LEU 27 HA LEU 27 19.515 5.083 20.643 215 HB2 LEU 27 1HB LEU 27 21.311 6.730 20.574 216 HB3 LEU 27 2HB LEU 27 21.242 6.932 22.327 217 HG LEU 27 HG LEU 27 21.981 4.546 22.576 218 HD11 LEU 27 1HD1 LEU 27 22.916 3.420 20.605 219 HD12 LEU 27 2HD1 LEU 27 21.172 3.721 20.424 220 HD13 LEU 27 3HD1 LEU 27 22.346 4.753 19.573 221 HD21 LEU 27 1HD2 LEU 27 24.321 5.018 21.937 222 HD22 LEU 27 2HD2 LEU 27 23.772 6.374 20.923 223 HD23 LEU 27 3HD2 LEU 27 23.564 6.442 22.689 224 H VAL 28 H VAL 28 19.232 3.219 21.642 225 HA VAL 28 HA VAL 28 18.412 3.342 24.498 226 HB VAL 28 HB VAL 28 17.971 1.190 22.383 227 HG11 VAL 28 1HG1 VAL 28 16.471 0.158 24.018 228 HG12 VAL 28 2HG1 VAL 28 18.152 0.216 24.599 229 HG13 VAL 28 3HG1 VAL 28 16.953 1.372 25.225 230 HG21 VAL 28 1HG2 VAL 28 15.613 1.931 22.509 231 HG22 VAL 28 2HG2 VAL 28 16.076 3.201 23.667 232 HG23 VAL 28 3HG2 VAL 28 16.678 3.259 21.993 233 H GLN 29 H GLN 29 20.270 1.222 22.275 234 HA GLN 29 HA GLN 29 22.219 0.642 24.375 235 HB2 GLN 29 1HB GLN 29 20.342 -0.870 24.991 236 HB3 GLN 29 2HB GLN 29 20.375 -1.568 23.378 237 HG2 GLN 29 1HG GLN 29 22.596 -2.457 23.749 238 HG3 GLN 29 2HG GLN 29 22.672 -1.657 25.345 239 HE21 GLN 29 1HE2 GLN 29 21.787 -4.897 26.473 240 HE22 GLN 29 2HE2 GLN 29 23.113 -3.829 26.157 241 H ILE 30 H ILE 30 24.137 0.008 23.575 242 HA ILE 30 HA ILE 30 24.172 -0.934 20.738 243 HB ILE 30 HB ILE 30 26.316 0.651 22.217 244 HG12 ILE 30 1HG1 ILE 30 24.620 1.473 19.851 245 HG13 ILE 30 2HG1 ILE 30 24.269 1.920 21.513 246 HG21 ILE 30 1HG2 ILE 30 27.480 0.659 20.049 247 HG22 ILE 30 2HG2 ILE 30 27.270 -1.000 20.656 248 HG23 ILE 30 3HG2 ILE 30 26.215 -0.387 19.361 249 HD11 ILE 30 1HD1 ILE 30 25.429 3.712 20.350 250 HD12 ILE 30 2HD1 ILE 30 26.433 3.072 21.675 251 HD13 ILE 30 3HD1 ILE 30 26.788 2.621 19.990 252 H GLU 31 H GLU 31 24.753 -2.960 20.479 253 HA GLU 31 HA GLU 31 26.787 -4.182 22.200 254 HB2 GLU 31 1HB GLU 31 25.347 -5.988 23.019 255 HB3 GLU 31 2HB GLU 31 24.753 -4.432 23.581 256 HG2 GLU 31 1HG GLU 31 23.034 -4.448 21.820 257 HG3 GLU 31 2HG GLU 31 23.632 -6.006 21.252 258 H GLY 32 H GLY 32 27.325 -6.386 21.541 259 HA2 GLY 32 1HA GLY 32 26.767 -8.227 19.940 260 HA3 GLY 32 2HA GLY 32 26.447 -6.991 18.738 261 H ALA 33 H ALA 33 27.993 -7.791 17.291 262 HA ALA 33 HA ALA 33 30.692 -8.384 18.117 263 HB1 ALA 33 1HB ALA 33 31.134 -8.607 15.693 264 HB2 ALA 33 2HB ALA 33 29.663 -9.484 16.179 265 HB3 ALA 33 3HB ALA 33 29.531 -7.918 15.346 266 H ILE 34 H ILE 34 32.598 -7.292 17.751 267 HA ILE 34 HA ILE 34 32.462 -4.421 17.895 268 HB ILE 34 HB ILE 34 34.304 -5.899 18.865 269 HG12 ILE 34 1HG1 ILE 34 36.093 -4.244 18.378 270 HG13 ILE 34 2HG1 ILE 34 35.072 -3.535 17.136 271 HG21 ILE 34 1HG2 ILE 34 36.172 -6.452 17.360 272 HG22 ILE 34 2HG2 ILE 34 34.682 -7.287 16.863 273 HG23 ILE 34 3HG2 ILE 34 35.236 -5.851 15.971 274 HD11 ILE 34 1HD1 ILE 34 34.952 -2.261 19.203 275 HD12 ILE 34 2HD1 ILE 34 33.373 -2.991 18.826 276 HD13 ILE 34 3HD1 ILE 34 34.408 -3.707 20.084 277 H HIS 35 H HIS 35 32.710 -6.703 15.281 278 HA HIS 35 HA HIS 35 33.719 -4.742 13.347 279 HB2 HIS 35 1HB HIS 35 32.597 -7.546 13.012 280 HB3 HIS 35 2HB HIS 35 33.216 -6.564 11.692 281 HD2 HIS 35 HD2 HIS 35 34.499 -9.177 14.061 282 HE1 HIS 35 HE1 HIS 35 37.924 -6.934 12.878 283 H GLU 36 H GLU 36 30.598 -6.139 14.262 284 HA GLU 36 HA GLU 36 29.326 -3.872 12.827 285 HB2 GLU 36 1HB GLU 36 28.508 -6.792 12.558 286 HB3 GLU 36 2HB GLU 36 27.495 -5.443 12.064 287 HG2 GLU 36 1HG GLU 36 29.235 -4.731 10.464 288 HG3 GLU 36 2HG GLU 36 30.229 -6.103 10.948 289 HA PRO 37 HA PRO 37 27.916 -4.376 17.193 290 HB2 PRO 37 1HB PRO 37 27.863 -1.370 16.783 291 HB3 PRO 37 2HB PRO 37 28.393 -2.292 18.196 292 HG2 PRO 37 1HG PRO 37 30.250 -1.253 16.596 293 HG3 PRO 37 2HG PRO 37 30.468 -2.898 17.202 294 HD2 PRO 37 1HD PRO 37 29.442 -1.979 14.483 295 HD3 PRO 37 2HD PRO 37 30.632 -3.286 14.867 296 H THR 38 H THR 38 25.782 -4.410 17.775 297 HA THR 38 HA THR 38 23.803 -3.494 15.785 298 HB THR 38 HB THR 38 23.454 -5.067 18.374 299 HG1 THR 38 HG1 THR 38 23.717 -5.760 15.636 300 HG21 THR 38 1HG2 THR 38 21.183 -5.513 17.530 301 HG22 THR 38 2HG2 THR 38 21.437 -3.769 17.781 302 HG23 THR 38 3HG2 THR 38 21.487 -4.449 16.138 303 H PHE 39 H PHE 39 22.870 -1.596 15.869 304 HA PHE 39 HA PHE 39 22.906 -0.110 18.445 305 HB2 PHE 39 1HB PHE 39 22.435 0.807 15.582 306 HB3 PHE 39 2HB PHE 39 22.284 1.856 16.983 307 HD1 PHE 39 HD1 PHE 39 24.696 -0.348 15.197 308 HD2 PHE 39 HD2 PHE 39 24.148 2.948 17.859 309 HE1 PHE 39 HE1 PHE 39 27.118 0.136 15.093 310 HE2 PHE 39 HE2 PHE 39 26.570 3.437 17.755 311 HZ PHE 39 HZ PHE 39 28.055 2.029 16.372 312 H ARG 40 H ARG 40 21.153 0.048 19.636 313 HA ARG 40 HA ARG 40 18.528 -0.563 18.362 314 HB2 ARG 40 1HB ARG 40 19.341 -0.559 21.290 315 HB3 ARG 40 2HB ARG 40 17.732 -0.927 20.687 316 HG2 ARG 40 1HG ARG 40 18.702 -2.859 19.429 317 HG3 ARG 40 2HG ARG 40 20.261 -2.520 20.219 318 HD2 ARG 40 1HD ARG 40 19.090 -2.726 22.407 319 HD3 ARG 40 2HD ARG 40 17.662 -3.295 21.511 320 HE ARG 40 HE ARG 40 20.150 -4.735 21.997 321 HH11 ARG 40 1HH1 ARG 40 17.195 -4.536 20.108 322 HH12 ARG 40 2HH1 ARG 40 17.223 -6.225 19.654 323 HH21 ARG 40 1HH2 ARG 40 20.175 -6.926 21.401 324 HH22 ARG 40 2HH2 ARG 40 18.909 -7.579 20.385 325 H PHE 41 H PHE 41 17.257 1.073 17.882 326 HA PHE 41 HA PHE 41 17.446 3.536 19.568 327 HB2 PHE 41 1HB PHE 41 17.194 3.184 16.584 328 HB3 PHE 41 2HB PHE 41 16.478 4.597 17.344 329 HD1 PHE 41 HD1 PHE 41 19.677 2.738 16.971 330 HD2 PHE 41 HD2 PHE 41 17.786 6.453 17.907 331 HE1 PHE 41 HE1 PHE 41 21.879 3.862 16.950 332 HE2 PHE 41 HE2 PHE 41 19.986 7.581 17.883 333 HZ PHE 41 HZ PHE 41 22.033 6.284 17.406 334 H ARG 42 H ARG 42 15.560 4.595 20.126 335 HA ARG 42 HA ARG 42 13.022 3.281 19.246 336 HB2 ARG 42 1HB ARG 42 13.441 2.953 21.659 337 HB3 ARG 42 2HB ARG 42 13.586 4.690 21.879 338 HG2 ARG 42 1HG ARG 42 11.267 5.030 21.364 339 HG3 ARG 42 2HG ARG 42 11.077 3.329 20.872 340 HD2 ARG 42 1HD ARG 42 10.183 3.596 23.053 341 HD3 ARG 42 2HD ARG 42 11.697 2.670 23.177 342 HE ARG 42 HE ARG 42 12.383 5.343 23.544 343 HH11 ARG 42 1HH1 ARG 42 10.336 2.963 25.120 344 HH12 ARG 42 2HH1 ARG 42 10.529 3.665 26.711 345 HH21 ARG 42 1HH2 ARG 42 12.626 6.246 25.613 346 HH22 ARG 42 2HH2 ARG 42 11.826 5.524 26.991 347 H VAL 43 H VAL 43 11.748 4.494 18.042 348 HA VAL 43 HA VAL 43 12.123 7.458 18.170 349 HB VAL 43 HB VAL 43 11.578 5.791 15.677 350 HG11 VAL 43 1HG1 VAL 43 11.980 7.883 14.474 351 HG12 VAL 43 2HG1 VAL 43 10.589 8.005 15.576 352 HG13 VAL 43 3HG1 VAL 43 12.147 8.741 16.024 353 HG21 VAL 43 1HG2 VAL 43 13.889 6.401 15.038 354 HG22 VAL 43 2HG2 VAL 43 14.108 7.208 16.609 355 HG23 VAL 43 3HG2 VAL 43 13.867 5.446 16.539 356 H SER 44 H SER 44 10.329 8.718 18.127 357 HA SER 44 HA SER 44 7.691 7.403 17.849 358 HB2 SER 44 1HB SER 44 8.301 7.056 20.199 359 HB3 SER 44 2HB SER 44 8.640 8.769 20.389 360 HG SER 44 HG SER 44 6.280 7.423 20.318 361 H PHE 45 H PHE 45 6.127 8.729 17.116 362 HA PHE 45 HA PHE 45 6.291 11.597 17.765 363 HB2 PHE 45 1HB PHE 45 6.004 12.369 15.490 364 HB3 PHE 45 2HB PHE 45 7.454 11.379 15.560 365 HD1 PHE 45 HD1 PHE 45 3.970 11.539 14.393 366 HD2 PHE 45 HD2 PHE 45 7.595 9.279 14.401 367 HE1 PHE 45 HE1 PHE 45 3.098 10.137 12.552 368 HE2 PHE 45 HE2 PHE 45 6.728 7.877 12.559 369 HZ PHE 45 HZ PHE 45 4.478 8.306 11.635 370 H LYS 46 H LYS 46 4.281 12.755 17.214 371 HA LYS 46 HA LYS 46 1.953 10.882 17.281 372 HB2 LYS 46 1HB LYS 46 2.424 11.814 19.535 373 HB3 LYS 46 2HB LYS 46 2.307 13.444 18.888 374 HG2 LYS 46 1HG LYS 46 -0.052 13.107 18.358 375 HG3 LYS 46 2HG LYS 46 0.045 11.424 18.896 376 HD2 LYS 46 1HD LYS 46 0.655 12.197 21.174 377 HD3 LYS 46 2HD LYS 46 0.526 13.876 20.630 378 HE2 LYS 46 1HE LYS 46 -1.857 13.509 20.069 379 HE3 LYS 46 2HE LYS 46 -1.729 11.836 20.617 380 HZ1 LYS 46 1HZ LYS 46 -2.648 13.248 22.305 381 HZ2 LYS 46 2HZ LYS 46 -1.193 12.654 22.808 382 HZ3 LYS 46 3HZ LYS 46 -1.314 14.218 22.297 383 H ASP 47 H ASP 47 0.322 11.283 15.952 384 HA ASP 47 HA ASP 47 -0.178 14.000 14.977 385 HB2 ASP 47 1HB ASP 47 1.621 12.942 13.451 386 HB3 ASP 47 2HB ASP 47 0.357 11.848 12.905 387 H LYS 48 H LYS 48 -2.183 14.223 13.872 388 HA LYS 48 HA LYS 48 -4.465 13.885 13.929 389 HB2 LYS 48 1HB LYS 48 -3.625 11.050 13.200 390 HB3 LYS 48 2HB LYS 48 -5.244 11.711 13.014 391 HG2 LYS 48 1HG LYS 48 -4.353 13.390 11.412 392 HG3 LYS 48 2HG LYS 48 -2.753 12.652 11.565 393 HD2 LYS 48 1HD LYS 48 -3.689 10.491 10.769 394 HD3 LYS 48 2HD LYS 48 -5.271 11.260 10.580 395 HE2 LYS 48 1HE LYS 48 -4.324 12.833 8.935 396 HE3 LYS 48 2HE LYS 48 -2.729 12.104 9.139 397 HZ1 LYS 48 1HZ LYS 48 -3.850 11.248 7.216 398 HZ2 LYS 48 2HZ LYS 48 -3.632 10.039 8.316 399 HZ3 LYS 48 3HZ LYS 48 -5.122 10.721 8.124 400 H ASP 49 H ASP 49 -3.177 13.722 16.447 401 HA ASP 49 HA ASP 49 -3.664 13.134 18.618 402 HB2 ASP 49 1HB ASP 49 -6.314 12.285 17.381 403 HB3 ASP 49 2HB ASP 49 -6.013 12.416 19.109 404 H THR 50 H THR 50 -2.451 11.171 16.735 405 HA THR 50 HA THR 50 -3.006 8.761 18.406 406 HB THR 50 HB THR 50 -2.481 8.785 15.402 407 HG1 THR 50 HG1 THR 50 -4.634 9.290 15.919 408 HG21 THR 50 1HG2 THR 50 -2.788 6.346 15.565 409 HG22 THR 50 2HG2 THR 50 -1.400 6.879 16.543 410 HG23 THR 50 3HG2 THR 50 -2.944 6.480 17.332 411 HA PRO 51 HA PRO 51 1.348 9.132 18.971 412 HB2 PRO 51 1HB PRO 51 1.656 7.071 20.742 413 HB3 PRO 51 2HB PRO 51 0.899 8.598 21.214 414 HG2 PRO 51 1HG PRO 51 -0.429 5.987 20.373 415 HG3 PRO 51 2HG PRO 51 -0.800 7.002 21.769 416 HD2 PRO 51 1HD PRO 51 -2.237 7.168 19.448 417 HD3 PRO 51 2HD PRO 51 -1.933 8.617 20.489 418 H PHE 52 H PHE 52 3.011 8.270 17.833 419 HA PHE 52 HA PHE 52 2.703 5.481 16.803 420 HB2 PHE 52 1HB PHE 52 3.957 7.864 15.381 421 HB3 PHE 52 2HB PHE 52 3.974 6.211 14.786 422 HD1 PHE 52 HD1 PHE 52 2.062 9.259 15.106 423 HD2 PHE 52 HD2 PHE 52 1.824 5.101 14.153 424 HE1 PHE 52 HE1 PHE 52 -0.111 9.640 13.990 425 HE2 PHE 52 HE2 PHE 52 -0.348 5.479 13.034 426 HZ PHE 52 HZ PHE 52 -1.316 7.750 12.954 427 H THR 53 H THR 53 3.927 4.493 18.355 428 HA THR 53 HA THR 53 6.789 5.350 18.466 429 HB THR 53 HB THR 53 5.168 3.846 20.566 430 HG1 THR 53 HG1 THR 53 5.032 5.747 21.555 431 HG21 THR 53 1HG2 THR 53 7.192 4.074 21.951 432 HG22 THR 53 2HG2 THR 53 7.529 3.124 20.484 433 HG23 THR 53 3HG2 THR 53 8.049 4.823 20.584 434 H ALA 54 H ALA 54 8.330 3.980 17.871 435 HA ALA 54 HA ALA 54 7.850 1.096 17.887 436 HB1 ALA 54 1HB ALA 54 8.377 0.790 15.490 437 HB2 ALA 54 2HB ALA 54 6.872 1.710 15.722 438 HB3 ALA 54 3HB ALA 54 8.370 2.555 15.271 439 H MET 55 H MET 55 9.744 -0.161 17.527 440 HA MET 55 HA MET 55 12.249 1.441 17.844 441 HB2 MET 55 1HB MET 55 11.531 -1.238 19.095 442 HB3 MET 55 2HB MET 55 13.105 -0.465 19.215 443 HG2 MET 55 1HG MET 55 12.070 1.443 20.402 444 HG3 MET 55 2HG MET 55 10.498 0.646 20.297 445 HE1 MET 55 1HE MET 55 14.075 -0.753 22.863 446 HE2 MET 55 2HE MET 55 14.162 -0.694 21.085 447 HE3 MET 55 3HE MET 55 13.965 0.810 22.018 448 H GLY 56 H GLY 56 14.209 0.477 17.075 449 HA2 GLY 56 1HA GLY 56 14.003 -1.842 15.277 450 HA3 GLY 56 2HA GLY 56 14.290 -0.316 14.460 451 H ALA 57 H ALA 57 16.206 -2.061 14.065 452 HA ALA 57 HA ALA 57 18.496 -0.962 15.500 453 HB1 ALA 57 1HB ALA 57 19.347 -3.152 16.274 454 HB2 ALA 57 2HB ALA 57 17.810 -2.725 17.064 455 HB3 ALA 57 3HB ALA 57 17.831 -3.918 15.746 456 H GLY 58 H GLY 58 20.521 -1.507 14.566 457 HA2 GLY 58 1HA GLY 58 20.617 -3.182 12.173 458 HA3 GLY 58 2HA GLY 58 20.671 -1.468 11.805 459 H ARG 59 H ARG 59 22.826 -2.176 10.933 460 HA ARG 59 HA ARG 59 24.877 -2.872 12.905 461 HB2 ARG 59 1HB ARG 59 25.071 -2.240 9.941 462 HB3 ARG 59 2HB ARG 59 26.408 -2.791 10.939 463 HG2 ARG 59 1HG ARG 59 25.365 -4.926 11.292 464 HG3 ARG 59 2HG ARG 59 23.866 -4.376 10.504 465 HD2 ARG 59 1HD ARG 59 26.566 -4.620 9.196 466 HD3 ARG 59 2HD ARG 59 25.212 -5.763 9.037 467 HE ARG 59 HE ARG 59 24.188 -3.290 8.318 468 HH11 ARG 59 1HH1 ARG 59 26.781 -5.391 7.221 469 HH12 ARG 59 2HH1 ARG 59 26.682 -4.855 5.559 470 HH21 ARG 59 1HH2 ARG 59 24.069 -2.602 6.157 471 HH22 ARG 59 2HH2 ARG 59 25.147 -3.277 4.955 472 H SER 60 H SER 60 23.472 -0.014 11.717 473 HA SER 60 HA SER 60 25.599 1.537 13.088 474 HB2 SER 60 1HB SER 60 25.726 3.176 11.330 475 HB3 SER 60 2HB SER 60 26.063 1.597 10.637 476 HG SER 60 HG SER 60 24.495 1.914 9.380 477 H LYS 61 H LYS 61 24.898 3.837 13.453 478 HA LYS 61 HA LYS 61 22.390 3.933 14.775 479 HB2 LYS 61 1HB LYS 61 24.188 6.154 13.734 480 HB3 LYS 61 2HB LYS 61 22.757 6.449 14.711 481 HG2 LYS 61 1HG LYS 61 23.734 5.121 16.550 482 HG3 LYS 61 2HG LYS 61 25.175 4.832 15.566 483 HD2 LYS 61 1HD LYS 61 25.591 7.270 15.457 484 HD3 LYS 61 2HD LYS 61 24.148 7.559 16.440 485 HE2 LYS 61 1HE LYS 61 25.137 6.294 18.302 486 HE3 LYS 61 2HE LYS 61 26.561 5.932 17.323 487 HZ1 LYS 61 1HZ LYS 61 26.944 7.774 18.789 488 HZ2 LYS 61 2HZ LYS 61 27.019 8.285 17.222 489 HZ3 LYS 61 3HZ LYS 61 25.689 8.623 18.138 490 H LYS 62 H LYS 62 23.321 4.796 11.477 491 HA LYS 62 HA LYS 62 20.840 6.090 10.811 492 HB2 LYS 62 1HB LYS 62 23.003 4.803 9.107 493 HB3 LYS 62 2HB LYS 62 21.602 5.615 8.423 494 HG2 LYS 62 1HG LYS 62 22.270 7.718 9.516 495 HG3 LYS 62 2HG LYS 62 23.671 6.904 10.226 496 HD2 LYS 62 1HD LYS 62 24.515 6.383 7.954 497 HD3 LYS 62 2HD LYS 62 23.119 7.214 7.251 498 HE2 LYS 62 1HE LYS 62 23.819 9.322 8.318 499 HE3 LYS 62 2HE LYS 62 25.193 8.502 9.064 500 HZ1 LYS 62 1HZ LYS 62 25.828 9.658 7.077 501 HZ2 LYS 62 2HZ LYS 62 26.034 8.035 6.866 502 HZ3 LYS 62 3HZ LYS 62 24.750 8.802 6.169 503 H GLU 63 H GLU 63 22.059 2.776 10.282 504 HA GLU 63 HA GLU 63 19.745 1.859 8.884 505 HB2 GLU 63 1HB GLU 63 21.890 0.410 10.475 506 HB3 GLU 63 2HB GLU 63 20.596 -0.442 9.643 507 HG2 GLU 63 1HG GLU 63 21.344 0.682 7.513 508 HG3 GLU 63 2HG GLU 63 22.735 1.295 8.404 509 H ALA 64 H ALA 64 20.589 1.923 12.328 510 HA ALA 64 HA ALA 64 18.334 0.419 13.231 511 HB1 ALA 64 1HB ALA 64 18.806 1.444 15.432 512 HB2 ALA 64 2HB ALA 64 20.289 0.844 14.652 513 HB3 ALA 64 3HB ALA 64 19.925 2.585 14.651 514 H LYS 65 H LYS 65 18.834 3.908 12.740 515 HA LYS 65 HA LYS 65 16.251 4.708 13.670 516 HB2 LYS 65 1HB LYS 65 18.226 5.983 11.746 517 HB3 LYS 65 2HB LYS 65 16.709 6.753 12.190 518 HG2 LYS 65 1HG LYS 65 17.387 6.781 14.550 519 HG3 LYS 65 2HG LYS 65 18.899 5.962 14.132 520 HD2 LYS 65 1HD LYS 65 19.513 7.866 12.662 521 HD3 LYS 65 2HD LYS 65 18.013 8.688 13.116 522 HE2 LYS 65 1HE LYS 65 18.731 8.720 15.475 523 HE3 LYS 65 2HE LYS 65 20.217 7.869 15.045 524 HZ1 LYS 65 1HZ LYS 65 20.569 10.221 15.225 525 HZ2 LYS 65 2HZ LYS 65 20.822 9.738 13.668 526 HZ3 LYS 65 3HZ LYS 65 19.434 10.535 14.070 527 H HIS 66 H HIS 66 17.448 3.694 10.490 528 HA HIS 66 HA HIS 66 15.021 4.254 9.050 529 HB2 HIS 66 1HB HIS 66 17.355 2.387 8.548 530 HB3 HIS 66 2HB HIS 66 15.972 2.458 7.465 531 HD2 HIS 66 HD2 HIS 66 19.326 3.914 7.491 532 HE1 HIS 66 HE1 HIS 66 16.897 7.039 5.912 533 H ALA 67 H ALA 67 16.189 1.408 10.821 534 HA ALA 67 HA ALA 67 14.063 -0.333 10.079 535 HB1 ALA 67 1HB ALA 67 14.692 -1.618 12.097 536 HB2 ALA 67 2HB ALA 67 16.120 -1.134 11.153 537 HB3 ALA 67 3HB ALA 67 15.699 -0.256 12.641 538 H ALA 68 H ALA 68 14.431 1.827 12.902 539 HA ALA 68 HA ALA 68 11.843 1.262 13.982 540 HB1 ALA 68 1HB ALA 68 12.178 3.337 15.286 541 HB2 ALA 68 2HB ALA 68 13.625 2.301 15.312 542 HB3 ALA 68 3HB ALA 68 13.580 3.741 14.269 543 H ALA 69 H ALA 69 13.020 3.773 11.753 544 HA ALA 69 HA ALA 69 10.562 5.211 11.606 545 HB1 ALA 69 1HB ALA 69 11.495 6.170 9.525 546 HB2 ALA 69 2HB ALA 69 12.695 6.154 10.840 547 HB3 ALA 69 3HB ALA 69 12.779 4.940 9.543 548 H ARG 70 H ARG 70 11.827 2.466 9.751 549 HA ARG 70 HA ARG 70 9.786 2.315 7.800 550 HB2 ARG 70 1HB ARG 70 11.849 0.953 7.757 551 HB3 ARG 70 2HB ARG 70 11.285 0.043 9.151 552 HG2 ARG 70 1HG ARG 70 9.376 -0.793 7.830 553 HG3 ARG 70 2HG ARG 70 9.983 0.105 6.417 554 HD2 ARG 70 1HD ARG 70 11.515 -2.009 7.913 555 HD3 ARG 70 2HD ARG 70 10.598 -2.269 6.411 556 HE ARG 70 HE ARG 70 13.179 -0.970 6.714 557 HH11 ARG 70 1HH1 ARG 70 10.346 -1.371 4.677 558 HH12 ARG 70 2HH1 ARG 70 11.182 -0.916 3.209 559 HH21 ARG 70 1HH2 ARG 70 14.254 -0.381 4.802 560 HH22 ARG 70 2HH2 ARG 70 13.394 -0.355 3.279 561 H ALA 71 H ALA 71 9.971 0.800 11.036 562 HA ALA 71 HA ALA 71 7.411 -0.440 10.922 563 HB1 ALA 71 1HB ALA 71 7.586 -0.548 13.387 564 HB2 ALA 71 2HB ALA 71 9.102 -1.042 12.596 565 HB3 ALA 71 3HB ALA 71 8.966 0.573 13.330 566 H LEU 72 H LEU 72 8.431 2.795 11.951 567 HA LEU 72 HA LEU 72 5.901 3.636 12.968 568 HB2 LEU 72 1HB LEU 72 8.232 5.154 11.762 569 HB3 LEU 72 2HB LEU 72 6.804 5.960 12.419 570 HG LEU 72 HG LEU 72 8.639 4.141 14.018 571 HD11 LEU 72 1HD1 LEU 72 9.474 6.224 15.012 572 HD12 LEU 72 2HD1 LEU 72 9.805 6.150 13.265 573 HD13 LEU 72 3HD1 LEU 72 8.477 7.165 13.877 574 HD21 LEU 72 1HD2 LEU 72 7.422 5.114 15.936 575 HD22 LEU 72 2HD2 LEU 72 6.394 6.040 14.815 576 HD23 LEU 72 3HD2 LEU 72 6.310 4.263 14.838 577 H ILE 73 H ILE 73 7.342 3.808 9.717 578 HA ILE 73 HA ILE 73 5.191 5.224 8.490 579 HB ILE 73 HB ILE 73 7.267 3.304 7.371 580 HG12 ILE 73 1HG1 ILE 73 7.007 6.297 7.043 581 HG13 ILE 73 2HG1 ILE 73 7.955 5.544 8.316 582 HG21 ILE 73 1HG2 ILE 73 6.582 4.087 5.140 583 HG22 ILE 73 2HG2 ILE 73 5.252 3.229 5.953 584 HG23 ILE 73 3HG2 ILE 73 5.244 5.006 5.869 585 HD11 ILE 73 1HD1 ILE 73 9.360 6.183 6.438 586 HD12 ILE 73 2HD1 ILE 73 9.343 4.414 6.633 587 HD13 ILE 73 3HD1 ILE 73 8.384 5.177 5.343 588 H ASP 74 H ASP 74 5.817 1.741 8.904 589 HA ASP 74 HA ASP 74 3.576 0.762 7.494 590 HB2 ASP 74 1HB ASP 74 5.016 -0.306 9.949 591 HB3 ASP 74 2HB ASP 74 3.738 -1.194 9.130 592 H LYS 75 H LYS 75 3.867 1.790 10.897 593 HA LYS 75 HA LYS 75 1.102 1.218 11.515 594 HB2 LYS 75 1HB LYS 75 3.193 2.945 12.893 595 HB3 LYS 75 2HB LYS 75 1.579 2.680 13.538 596 HG2 LYS 75 1HG LYS 75 2.032 0.240 13.628 597 HG3 LYS 75 2HG LYS 75 3.671 0.544 13.036 598 HD2 LYS 75 1HD LYS 75 4.089 2.007 15.010 599 HD3 LYS 75 2HD LYS 75 2.468 1.626 15.611 600 HE2 LYS 75 1HE LYS 75 3.110 -0.809 15.604 601 HE3 LYS 75 2HE LYS 75 4.754 -0.328 15.179 602 HZ1 LYS 75 1HZ LYS 75 4.508 -0.647 17.530 603 HZ2 LYS 75 2HZ LYS 75 4.849 0.937 17.216 604 HZ3 LYS 75 3HZ LYS 75 3.313 0.486 17.614 605 H LEU 76 H LEU 76 2.869 4.087 10.427 606 HA LEU 76 HA LEU 76 0.734 5.943 10.871 607 HB2 LEU 76 1HB LEU 76 3.065 6.647 10.567 608 HB3 LEU 76 2HB LEU 76 3.059 6.028 8.913 609 HG LEU 76 HG LEU 76 1.335 7.731 8.317 610 HD11 LEU 76 1HD1 LEU 76 0.889 9.553 9.900 611 HD12 LEU 76 2HD1 LEU 76 0.332 7.985 10.529 612 HD13 LEU 76 3HD1 LEU 76 1.839 8.706 11.143 613 HD21 LEU 76 1HD2 LEU 76 2.895 9.646 8.393 614 HD22 LEU 76 2HD2 LEU 76 3.874 8.801 9.616 615 HD23 LEU 76 3HD2 LEU 76 3.747 8.143 7.967 616 H ILE 77 H ILE 77 1.768 4.117 7.982 617 HA ILE 77 HA ILE 77 -0.412 5.290 6.404 618 HB ILE 77 HB ILE 77 1.664 3.172 5.695 619 HG12 ILE 77 1HG1 ILE 77 2.713 5.289 6.150 620 HG13 ILE 77 2HG1 ILE 77 2.722 4.989 4.419 621 HG21 ILE 77 1HG2 ILE 77 0.981 3.600 3.369 622 HG22 ILE 77 2HG2 ILE 77 -0.377 2.969 4.329 623 HG23 ILE 77 3HG2 ILE 77 -0.292 4.703 3.941 624 HD11 ILE 77 1HD1 ILE 77 2.194 7.312 4.904 625 HD12 ILE 77 2HD1 ILE 77 0.808 6.502 4.133 626 HD13 ILE 77 3HD1 ILE 77 0.799 6.808 5.887 627 H GLY 78 H GLY 78 0.394 2.204 7.936 628 HA2 GLY 78 1HA GLY 78 -1.172 0.510 8.524 629 HA3 GLY 78 2HA GLY 78 -2.370 1.252 7.481 630 H ALA 79 H ALA 79 0.989 0.472 6.612 631 HA ALA 79 HA ALA 79 0.276 -1.867 5.061 632 HB1 ALA 79 1HB ALA 79 0.713 -0.883 2.833 633 HB2 ALA 79 2HB ALA 79 -0.715 -0.155 3.607 634 HB3 ALA 79 3HB ALA 79 0.828 0.729 3.576 635 H GLN 80 H GLN 80 2.049 -2.902 4.106 636 HA GLN 80 HA GLN 80 4.484 -2.448 5.600 637 HB2 GLN 80 1HB GLN 80 3.777 -4.720 5.036 638 HB3 GLN 80 2HB GLN 80 3.835 -4.354 3.318 639 HG2 GLN 80 1HG GLN 80 5.771 -5.621 3.892 640 HG3 GLN 80 2HG GLN 80 6.289 -3.949 3.538 641 HE21 GLN 80 1HE2 GLN 80 7.956 -3.610 6.546 642 HE22 GLN 80 2HE2 GLN 80 7.773 -3.184 4.876 643 H LEU 81 H LEU 81 5.966 -0.992 5.172 644 HA LEU 81 HA LEU 81 6.276 0.286 2.618 645 HB2 LEU 81 1HB LEU 81 6.971 1.256 4.818 646 HB3 LEU 81 2HB LEU 81 8.277 0.069 4.896 647 HG LEU 81 HG LEU 81 9.159 1.071 2.725 648 HD11 LEU 81 1HD1 LEU 81 8.396 3.342 2.188 649 HD12 LEU 81 2HD1 LEU 81 7.087 2.150 2.014 650 HD13 LEU 81 3HD1 LEU 81 7.137 3.215 3.439 651 HD21 LEU 81 1HD2 LEU 81 10.184 2.981 3.913 652 HD22 LEU 81 2HD2 LEU 81 8.950 2.850 5.189 653 HD23 LEU 81 3HD2 LEU 81 10.128 1.536 4.951 654 HA PRO 82 HA PRO 82 8.452 -2.893 0.449 655 HB2 PRO 82 1HB PRO 82 9.312 -0.438 -1.121 656 HB3 PRO 82 2HB PRO 82 8.704 -1.985 -1.722 657 HG2 PRO 82 1HG PRO 82 7.043 0.092 -1.689 658 HG3 PRO 82 2HG PRO 82 6.447 -1.481 -1.152 659 HD2 PRO 82 1HD PRO 82 7.381 0.888 0.520 660 HD3 PRO 82 2HD PRO 82 5.940 -0.179 0.762 661 H GLU 83 H GLU 83 10.614 -3.556 0.301 662 HA GLU 83 HA GLU 83 12.396 -2.646 2.273 663 HB2 GLU 83 1HB GLU 83 12.516 -4.868 1.147 664 HB3 GLU 83 2HB GLU 83 13.083 -4.086 -0.322 665 HG2 GLU 83 1HG GLU 83 15.096 -3.317 0.840 666 HG3 GLU 83 2HG GLU 83 14.524 -4.044 2.339 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 -0.994 -3.434 2.574 2 H2 ASN 1 2H ASN 1 -2.322 -2.487 2.508 3 H3 ASN 1 3H ASN 1 -1.237 -2.458 1.289 4 HA ASN 1 HA ASN 1 -0.791 -1.570 4.026 5 HB2 ASN 1 1HB ASN 1 1.042 -1.633 1.609 6 HB3 ASN 1 2HB ASN 1 1.377 -0.714 3.070 7 HD21 ASN 1 1HD2 ASN 1 2.616 -4.415 2.899 8 HD22 ASN 1 2HD2 ASN 1 2.310 -3.345 1.571 9 H GLY 2 H GLY 2 -1.036 0.535 4.442 10 HA2 GLY 2 1HA GLY 2 -2.572 2.092 2.497 11 HA3 GLY 2 2HA GLY 2 -2.171 2.567 4.136 12 H LEU 3 H LEU 3 0.732 1.896 3.646 13 HA LEU 3 HA LEU 3 1.398 4.295 1.992 14 HB2 LEU 3 1HB LEU 3 2.865 3.227 4.430 15 HB3 LEU 3 2HB LEU 3 3.339 4.631 3.469 16 HG LEU 3 HG LEU 3 0.766 4.425 5.072 17 HD11 LEU 3 1HD1 LEU 3 1.882 5.957 6.632 18 HD12 LEU 3 2HD1 LEU 3 2.735 4.400 6.516 19 HD13 LEU 3 3HD1 LEU 3 3.380 5.834 5.681 20 HD21 LEU 3 1HD2 LEU 3 0.657 6.855 4.633 21 HD22 LEU 3 2HD2 LEU 3 2.139 6.745 3.654 22 HD23 LEU 3 3HD2 LEU 3 0.652 5.929 3.113 23 H ALA 4 H ALA 4 3.299 4.252 0.762 24 HA ALA 4 HA ALA 4 3.791 1.753 -0.516 25 HB1 ALA 4 1HB ALA 4 5.605 2.954 -1.694 26 HB2 ALA 4 2HB ALA 4 4.101 3.906 -1.654 27 HB3 ALA 4 3HB ALA 4 5.439 4.308 -0.553 28 H MET 5 H MET 5 5.313 0.222 -0.327 29 HA MET 5 HA MET 5 7.056 0.454 2.086 30 HB2 MET 5 1HB MET 5 5.903 -1.997 0.701 31 HB3 MET 5 2HB MET 5 7.038 -2.059 2.042 32 HG2 MET 5 1HG MET 5 4.252 -0.864 2.125 33 HG3 MET 5 2HG MET 5 4.745 -2.422 2.793 34 HE1 MET 5 1HE MET 5 7.040 -1.437 5.770 35 HE2 MET 5 2HE MET 5 6.175 -2.753 4.939 36 HE3 MET 5 3HE MET 5 7.519 -1.916 4.124 37 H LYS 6 H LYS 6 7.391 1.107 -0.973 38 HA LYS 6 HA LYS 6 9.708 -0.467 -1.703 39 HB2 LYS 6 1HB LYS 6 8.320 0.728 -3.376 40 HB3 LYS 6 2HB LYS 6 8.796 2.270 -2.679 41 HG2 LYS 6 1HG LYS 6 11.132 1.862 -3.311 42 HG3 LYS 6 2HG LYS 6 10.687 0.281 -3.968 43 HD2 LYS 6 1HD LYS 6 9.196 1.366 -5.606 44 HD3 LYS 6 2HD LYS 6 9.601 2.953 -4.935 45 HE2 LYS 6 1HE LYS 6 11.974 2.604 -5.545 46 HE3 LYS 6 2HE LYS 6 11.572 1.022 -6.215 47 HZ1 LYS 6 1HZ LYS 6 11.687 2.694 -7.911 48 HZ2 LYS 6 2HZ LYS 6 10.144 2.120 -7.801 49 HZ3 LYS 6 3HZ LYS 6 10.521 3.599 -7.175 50 H THR 7 H THR 7 9.469 3.000 -0.799 51 HA THR 7 HA THR 7 11.919 2.574 0.852 52 HB THR 7 HB THR 7 12.605 4.928 0.278 53 HG1 THR 7 HG1 THR 7 11.253 6.085 -0.851 54 HG21 THR 7 1HG2 THR 7 13.484 4.379 -1.957 55 HG22 THR 7 2HG2 THR 7 13.629 2.987 -0.858 56 HG23 THR 7 3HG2 THR 7 12.338 3.025 -2.081 57 HA PRO 8 HA PRO 8 8.310 3.959 3.309 58 HB2 PRO 8 1HB PRO 8 10.119 2.627 5.370 59 HB3 PRO 8 2HB PRO 8 8.356 2.575 5.245 60 HG2 PRO 8 1HG PRO 8 9.740 0.479 4.369 61 HG3 PRO 8 2HG PRO 8 8.389 1.072 3.397 62 HD2 PRO 8 1HD PRO 8 11.371 1.516 3.013 63 HD3 PRO 8 2HD PRO 8 10.093 1.203 1.772 64 H VAL 9 H VAL 9 11.803 4.191 3.931 65 HA VAL 9 HA VAL 9 11.771 6.152 5.968 66 HB VAL 9 HB VAL 9 13.798 5.628 3.754 67 HG11 VAL 9 1HG1 VAL 9 15.397 6.876 5.123 68 HG12 VAL 9 2HG1 VAL 9 14.056 7.903 4.562 69 HG13 VAL 9 3HG1 VAL 9 14.089 7.321 6.244 70 HG21 VAL 9 1HG2 VAL 9 15.018 4.464 5.566 71 HG22 VAL 9 2HG2 VAL 9 13.692 4.835 6.694 72 HG23 VAL 9 3HG2 VAL 9 13.408 3.750 5.312 73 H SER 10 H SER 10 11.912 6.530 2.416 74 HA SER 10 HA SER 10 11.961 9.418 2.538 75 HB2 SER 10 1HB SER 10 11.736 9.337 0.151 76 HB3 SER 10 2HB SER 10 12.822 8.042 0.631 77 HG SER 10 HG SER 10 10.642 6.866 0.745 78 H ILE 11 H ILE 11 9.439 6.973 2.364 79 HA ILE 11 HA ILE 11 7.268 8.725 1.733 80 HB ILE 11 HB ILE 11 7.346 6.099 3.273 81 HG12 ILE 11 1HG1 ILE 11 8.057 5.912 0.958 82 HG13 ILE 11 2HG1 ILE 11 6.498 5.139 1.202 83 HG21 ILE 11 1HG2 ILE 11 4.912 6.021 2.913 84 HG22 ILE 11 2HG2 ILE 11 5.365 7.416 3.919 85 HG23 ILE 11 3HG2 ILE 11 4.961 7.651 2.202 86 HD11 ILE 11 1HD1 ILE 11 6.545 6.376 -0.890 87 HD12 ILE 11 2HD1 ILE 11 5.364 7.091 0.234 88 HD13 ILE 11 3HD1 ILE 11 6.942 7.874 -0.015 89 H LEU 12 H LEU 12 8.658 7.657 4.840 90 HA LEU 12 HA LEU 12 6.857 9.118 6.502 91 HB2 LEU 12 1HB LEU 12 8.355 7.332 7.321 92 HB3 LEU 12 2HB LEU 12 9.759 8.351 6.990 93 HG LEU 12 HG LEU 12 8.933 9.981 8.692 94 HD11 LEU 12 1HD1 LEU 12 7.132 9.281 10.206 95 HD12 LEU 12 2HD1 LEU 12 6.553 9.459 8.533 96 HD13 LEU 12 3HD1 LEU 12 6.851 7.838 9.204 97 HD21 LEU 12 1HD2 LEU 12 9.497 8.556 10.632 98 HD22 LEU 12 2HD2 LEU 12 9.249 7.102 9.636 99 HD23 LEU 12 3HD2 LEU 12 10.578 8.223 9.258 100 H GLN 13 H GLN 13 10.033 9.972 5.118 101 HA GLN 13 HA GLN 13 10.336 12.493 6.336 102 HB2 GLN 13 1HB GLN 13 11.214 11.472 3.611 103 HB3 GLN 13 2HB GLN 13 11.673 13.054 4.225 104 HG2 GLN 13 1HG GLN 13 12.843 12.059 6.088 105 HG3 GLN 13 2HG GLN 13 12.276 10.434 5.611 106 HE21 GLN 13 1HE2 GLN 13 15.795 11.079 4.424 107 HE22 GLN 13 2HE2 GLN 13 15.011 11.235 5.961 108 H GLU 14 H GLU 14 8.684 11.650 3.286 109 HA GLU 14 HA GLU 14 7.827 14.280 2.635 110 HB2 GLU 14 1HB GLU 14 7.690 12.386 1.059 111 HB3 GLU 14 2HB GLU 14 6.484 11.605 2.073 112 HG2 GLU 14 1HG GLU 14 4.929 13.465 1.670 113 HG3 GLU 14 2HG GLU 14 6.139 14.262 0.666 114 H LEU 15 H LEU 15 6.184 11.702 4.491 115 HA LEU 15 HA LEU 15 3.794 13.155 4.975 116 HB2 LEU 15 1HB LEU 15 5.163 10.951 6.549 117 HB3 LEU 15 2HB LEU 15 3.559 11.575 6.946 118 HG LEU 15 HG LEU 15 4.276 10.290 4.289 119 HD11 LEU 15 1HD1 LEU 15 3.075 8.330 5.150 120 HD12 LEU 15 2HD1 LEU 15 4.517 8.698 6.125 121 HD13 LEU 15 3HD1 LEU 15 2.900 9.131 6.729 122 HD21 LEU 15 1HD2 LEU 15 1.820 10.196 4.035 123 HD22 LEU 15 2HD2 LEU 15 1.626 11.023 5.599 124 HD23 LEU 15 3HD2 LEU 15 2.379 11.874 4.229 125 H LEU 16 H LEU 16 6.832 12.952 6.813 126 HA LEU 16 HA LEU 16 5.889 14.506 9.041 127 HB2 LEU 16 1HB LEU 16 8.687 13.933 8.006 128 HB3 LEU 16 2HB LEU 16 8.350 14.775 9.522 129 HG LEU 16 HG LEU 16 7.527 11.919 8.890 130 HD11 LEU 16 1HD1 LEU 16 9.294 11.315 10.483 131 HD12 LEU 16 2HD1 LEU 16 9.949 12.172 9.068 132 HD13 LEU 16 3HD1 LEU 16 9.758 13.027 10.617 133 HD21 LEU 16 1HD2 LEU 16 6.981 11.850 11.299 134 HD22 LEU 16 2HD2 LEU 16 7.413 13.571 11.447 135 HD23 LEU 16 3HD2 LEU 16 6.014 13.085 10.459 136 H SER 17 H SER 17 7.460 15.305 5.976 137 HA SER 17 HA SER 17 7.938 18.072 6.593 138 HB2 SER 17 1HB SER 17 7.556 16.647 3.940 139 HB3 SER 17 2HB SER 17 8.089 18.313 4.104 140 HG SER 17 HG SER 17 9.347 15.954 4.931 141 H ARG 18 H ARG 18 5.224 16.324 5.109 142 HA ARG 18 HA ARG 18 3.729 18.678 4.417 143 HB2 ARG 18 1HB ARG 18 2.907 15.796 4.876 144 HB3 ARG 18 2HB ARG 18 1.779 17.044 4.369 145 HG2 ARG 18 1HG ARG 18 3.119 17.422 2.331 146 HG3 ARG 18 2HG ARG 18 4.228 16.127 2.842 147 HD2 ARG 18 1HD ARG 18 2.325 14.569 2.855 148 HD3 ARG 18 2HD ARG 18 1.297 15.873 2.217 149 HE ARG 18 HE ARG 18 3.292 14.321 0.782 150 HH11 ARG 18 1HH1 ARG 18 1.393 17.276 0.844 151 HH12 ARG 18 2HH1 ARG 18 1.504 17.531 -0.883 152 HH21 ARG 18 1HH2 ARG 18 3.429 14.664 -1.458 153 HH22 ARG 18 2HH2 ARG 18 2.656 16.054 -2.187 154 H ARG 19 H ARG 19 3.834 16.589 7.283 155 HA ARG 19 HA ARG 19 1.564 17.989 8.508 156 HB2 ARG 19 1HB ARG 19 3.425 15.837 9.571 157 HB3 ARG 19 2HB ARG 19 2.041 16.478 10.443 158 HG2 ARG 19 1HG ARG 19 1.913 15.026 7.788 159 HG3 ARG 19 2HG ARG 19 1.552 14.328 9.385 160 HD2 ARG 19 1HD ARG 19 0.122 16.682 8.177 161 HD3 ARG 19 2HD ARG 19 -0.442 14.997 8.107 162 HE ARG 19 HE ARG 19 -0.054 15.401 10.770 163 HH11 ARG 19 1HH1 ARG 19 -1.814 17.167 8.295 164 HH12 ARG 19 2HH1 ARG 19 -3.022 17.771 9.408 165 HH21 ARG 19 1HH2 ARG 19 -1.628 16.190 12.204 166 HH22 ARG 19 2HH2 ARG 19 -2.917 17.218 11.621 167 H GLY 20 H GLY 20 5.063 18.047 8.617 168 HA2 GLY 20 1HA GLY 20 6.428 19.719 9.555 169 HA3 GLY 20 2HA GLY 20 5.019 20.450 10.301 170 H ILE 21 H ILE 21 6.185 17.080 10.517 171 HA ILE 21 HA ILE 21 6.277 17.439 13.482 172 HB ILE 21 HB ILE 21 5.625 14.937 11.866 173 HG12 ILE 21 1HG1 ILE 21 3.827 16.589 11.827 174 HG13 ILE 21 2HG1 ILE 21 3.384 15.166 12.757 175 HG21 ILE 21 1HG2 ILE 21 5.138 13.926 14.056 176 HG22 ILE 21 2HG2 ILE 21 6.842 14.423 13.946 177 HG23 ILE 21 3HG2 ILE 21 5.686 15.411 14.869 178 HD11 ILE 21 1HD1 ILE 21 2.629 17.201 13.853 179 HD12 ILE 21 2HD1 ILE 21 3.851 16.372 14.847 180 HD13 ILE 21 3HD1 ILE 21 4.298 17.814 13.904 181 H THR 22 H THR 22 8.045 16.883 14.591 182 HA THR 22 HA THR 22 10.200 15.453 13.089 183 HB THR 22 HB THR 22 10.536 17.569 15.260 184 HG1 THR 22 HG1 THR 22 11.069 17.603 12.451 185 HG21 THR 22 1HG2 THR 22 12.936 17.363 14.746 186 HG22 THR 22 2HG2 THR 22 12.277 15.817 15.331 187 HG23 THR 22 3HG2 THR 22 12.582 16.054 13.595 188 HA PRO 23 HA PRO 23 9.104 12.573 16.369 189 HB2 PRO 23 1HB PRO 23 10.904 10.885 14.614 190 HB3 PRO 23 2HB PRO 23 9.330 10.481 15.312 191 HG2 PRO 23 1HG PRO 23 9.459 11.092 12.717 192 HG3 PRO 23 2HG PRO 23 8.128 11.730 13.686 193 HD2 PRO 23 1HD PRO 23 10.708 13.112 12.832 194 HD3 PRO 23 2HD PRO 23 9.013 13.747 12.800 195 H GLY 24 H GLY 24 10.354 11.697 18.064 196 HA2 GLY 24 1HA GLY 24 13.176 12.681 18.155 197 HA3 GLY 24 2HA GLY 24 12.156 12.406 19.554 198 H TYR 25 H TYR 25 14.843 11.304 18.475 199 HA TYR 25 HA TYR 25 14.160 8.402 18.543 200 HB2 TYR 25 1HB TYR 25 16.628 9.874 17.541 201 HB3 TYR 25 2HB TYR 25 16.533 8.124 17.684 202 HD1 TYR 25 HD1 TYR 25 15.170 11.082 15.932 203 HD2 TYR 25 HD2 TYR 25 15.346 6.798 16.098 204 HE1 TYR 25 HE1 TYR 25 14.153 10.952 13.683 205 HE2 TYR 25 HE2 TYR 25 14.329 6.669 13.849 206 HH TYR 25 HH TYR 25 13.564 7.807 12.108 207 H GLU 26 H GLU 26 15.368 6.958 19.817 208 HA GLU 26 HA GLU 26 16.988 8.177 21.983 209 HB2 GLU 26 1HB GLU 26 14.662 8.066 22.842 210 HB3 GLU 26 2HB GLU 26 14.601 6.348 22.472 211 HG2 GLU 26 1HG GLU 26 16.398 5.924 24.090 212 HG3 GLU 26 2HG GLU 26 16.488 7.647 24.449 213 H LEU 27 H LEU 27 18.772 7.075 22.343 214 HA LEU 27 HA LEU 27 19.304 4.575 21.022 215 HB2 LEU 27 1HB LEU 27 21.073 6.196 21.546 216 HB3 LEU 27 2HB LEU 27 20.777 5.988 23.274 217 HG LEU 27 HG LEU 27 21.486 3.585 23.041 218 HD11 LEU 27 1HD1 LEU 27 22.697 2.946 21.003 219 HD12 LEU 27 2HD1 LEU 27 20.992 3.325 20.663 220 HD13 LEU 27 3HD1 LEU 27 22.264 4.502 20.258 221 HD21 LEU 27 1HD2 LEU 27 23.888 4.139 22.863 222 HD22 LEU 27 2HD2 LEU 27 23.472 5.713 22.144 223 HD23 LEU 27 3HD2 LEU 27 23.019 5.357 23.828 224 H VAL 28 H VAL 28 18.853 2.574 21.599 225 HA VAL 28 HA VAL 28 17.832 2.151 24.372 226 HB VAL 28 HB VAL 28 17.295 0.576 21.817 227 HG11 VAL 28 1HG1 VAL 28 15.639 -0.639 23.146 228 HG12 VAL 28 2HG1 VAL 28 17.290 -0.871 23.766 229 HG13 VAL 28 3HG1 VAL 28 16.171 0.231 24.604 230 HG21 VAL 28 1HG2 VAL 28 15.009 1.495 22.047 231 HG22 VAL 28 2HG2 VAL 28 15.530 2.431 23.468 232 HG23 VAL 28 3HG2 VAL 28 16.210 2.795 21.863 233 H GLN 29 H GLN 29 19.622 0.460 21.757 234 HA GLN 29 HA GLN 29 21.112 -1.037 23.844 235 HB2 GLN 29 1HB GLN 29 19.124 -2.412 23.283 236 HB3 GLN 29 2HB GLN 29 19.558 -2.356 21.580 237 HG2 GLN 29 1HG GLN 29 21.659 -3.544 22.079 238 HG3 GLN 29 2HG GLN 29 21.173 -3.635 23.795 239 HE21 GLN 29 1HE2 GLN 29 20.112 -6.868 22.768 240 HE22 GLN 29 2HE2 GLN 29 21.446 -5.977 23.422 241 H ILE 30 H ILE 30 23.199 -1.277 23.377 242 HA ILE 30 HA ILE 30 23.922 -1.460 20.485 243 HB ILE 30 HB ILE 30 25.592 -0.213 22.711 244 HG12 ILE 30 1HG1 ILE 30 24.305 1.057 20.283 245 HG13 ILE 30 2HG1 ILE 30 23.713 1.190 21.932 246 HG21 ILE 30 1HG2 ILE 30 27.189 0.300 20.909 247 HG22 ILE 30 2HG2 ILE 30 26.963 -1.456 21.082 248 HG23 ILE 30 3HG2 ILE 30 26.170 -0.584 19.749 249 HD11 ILE 30 1HD1 ILE 30 24.973 3.168 21.290 250 HD12 ILE 30 2HD1 ILE 30 25.799 2.299 22.606 251 HD13 ILE 30 3HD1 ILE 30 26.399 2.166 20.936 252 H GLU 31 H GLU 31 24.080 -3.606 20.222 253 HA GLU 31 HA GLU 31 26.121 -5.039 21.785 254 HB2 GLU 31 1HB GLU 31 24.039 -5.278 23.141 255 HB3 GLU 31 2HB GLU 31 23.222 -5.974 21.749 256 HG2 GLU 31 1HG GLU 31 24.722 -7.881 21.761 257 HG3 GLU 31 2HG GLU 31 25.674 -7.166 23.060 258 H GLY 32 H GLY 32 27.117 -6.580 20.647 259 HA2 GLY 32 1HA GLY 32 26.147 -8.285 18.696 260 HA3 GLY 32 2HA GLY 32 26.469 -6.807 17.809 261 H ALA 33 H ALA 33 28.326 -7.032 16.734 262 HA ALA 33 HA ALA 33 30.504 -8.664 17.783 263 HB1 ALA 33 1HB ALA 33 31.675 -7.997 15.709 264 HB2 ALA 33 2HB ALA 33 30.038 -8.609 15.374 265 HB3 ALA 33 3HB ALA 33 30.358 -6.860 15.341 266 H ILE 34 H ILE 34 32.738 -7.853 17.906 267 HA ILE 34 HA ILE 34 32.903 -5.819 19.874 268 HB ILE 34 HB ILE 34 35.024 -7.073 18.090 269 HG12 ILE 34 1HG1 ILE 34 34.489 -7.441 21.042 270 HG13 ILE 34 2HG1 ILE 34 33.802 -8.472 19.797 271 HG21 ILE 34 1HG2 ILE 34 36.684 -6.074 19.609 272 HG22 ILE 34 2HG2 ILE 34 35.757 -4.817 18.759 273 HG23 ILE 34 3HG2 ILE 34 35.387 -5.199 20.457 274 HD11 ILE 34 1HD1 ILE 34 35.788 -9.479 20.772 275 HD12 ILE 34 2HD1 ILE 34 36.059 -9.100 19.054 276 HD13 ILE 34 3HD1 ILE 34 36.755 -8.057 20.317 277 H HIS 35 H HIS 35 33.455 -5.722 16.366 278 HA HIS 35 HA HIS 35 33.940 -2.776 16.587 279 HB2 HIS 35 1HB HIS 35 34.655 -4.717 14.357 280 HB3 HIS 35 2HB HIS 35 34.942 -2.983 14.323 281 HD2 HIS 35 HD2 HIS 35 36.778 -6.127 15.313 282 HE1 HIS 35 HE1 HIS 35 38.695 -2.949 17.408 283 H GLU 36 H GLU 36 31.592 -5.041 15.795 284 HA GLU 36 HA GLU 36 30.070 -2.951 14.334 285 HB2 GLU 36 1HB GLU 36 30.390 -5.833 13.402 286 HB3 GLU 36 2HB GLU 36 29.227 -4.693 12.740 287 HG2 GLU 36 1HG GLU 36 31.090 -3.226 12.033 288 HG3 GLU 36 2HG GLU 36 32.238 -4.408 12.659 289 HA PRO 37 HA PRO 37 27.535 -5.078 17.526 290 HB2 PRO 37 1HB PRO 37 26.927 -2.902 19.053 291 HB3 PRO 37 2HB PRO 37 28.434 -3.798 19.284 292 HG2 PRO 37 1HG PRO 37 27.959 -1.231 17.710 293 HG3 PRO 37 2HG PRO 37 29.227 -1.570 18.892 294 HD2 PRO 37 1HD PRO 37 29.655 -1.809 16.195 295 HD3 PRO 37 2HD PRO 37 30.482 -2.878 17.398 296 H THR 38 H THR 38 25.242 -4.938 17.644 297 HA THR 38 HA THR 38 23.995 -3.434 15.450 298 HB THR 38 HB THR 38 22.801 -5.356 17.494 299 HG1 THR 38 HG1 THR 38 23.766 -5.617 14.834 300 HG21 THR 38 1HG2 THR 38 20.848 -5.383 15.993 301 HG22 THR 38 2HG2 THR 38 21.135 -3.747 16.633 302 HG23 THR 38 3HG2 THR 38 21.613 -4.148 14.967 303 H PHE 39 H PHE 39 22.840 -1.635 15.584 304 HA PHE 39 HA PHE 39 22.614 -0.410 18.289 305 HB2 PHE 39 1HB PHE 39 22.608 0.802 15.499 306 HB3 PHE 39 2HB PHE 39 22.266 1.723 16.956 307 HD1 PHE 39 HD1 PHE 39 24.862 -0.252 15.205 308 HD2 PHE 39 HD2 PHE 39 24.002 2.485 18.371 309 HE1 PHE 39 HE1 PHE 39 27.282 0.131 15.529 310 HE2 PHE 39 HE2 PHE 39 26.422 2.873 18.696 311 HZ PHE 39 HZ PHE 39 28.062 1.694 17.275 312 H ARG 40 H ARG 40 20.724 -0.172 19.240 313 HA ARG 40 HA ARG 40 18.274 -0.428 17.547 314 HB2 ARG 40 1HB ARG 40 18.607 -2.236 19.234 315 HB3 ARG 40 2HB ARG 40 18.597 -1.026 20.509 316 HG2 ARG 40 1HG ARG 40 16.278 -0.414 19.887 317 HG3 ARG 40 2HG ARG 40 16.298 -1.702 18.657 318 HD2 ARG 40 1HD ARG 40 16.745 -2.100 21.607 319 HD3 ARG 40 2HD ARG 40 15.217 -2.382 20.740 320 HE ARG 40 HE ARG 40 17.614 -4.040 20.709 321 HH11 ARG 40 1HH1 ARG 40 14.564 -3.265 19.147 322 HH12 ARG 40 2HH1 ARG 40 14.433 -4.818 18.353 323 HH21 ARG 40 1HH2 ARG 40 17.432 -6.052 19.673 324 HH22 ARG 40 2HH2 ARG 40 16.055 -6.397 18.650 325 H PHE 41 H PHE 41 17.051 1.303 17.336 326 HA PHE 41 HA PHE 41 17.188 3.383 19.481 327 HB2 PHE 41 1HB PHE 41 17.158 3.661 16.471 328 HB3 PHE 41 2HB PHE 41 16.517 4.946 17.482 329 HD1 PHE 41 HD1 PHE 41 19.563 2.903 16.868 330 HD2 PHE 41 HD2 PHE 41 17.938 6.503 18.495 331 HE1 PHE 41 HE1 PHE 41 21.849 3.785 17.193 332 HE2 PHE 41 HE2 PHE 41 20.223 7.390 18.820 333 HZ PHE 41 HZ PHE 41 22.179 6.029 18.169 334 H ARG 42 H ARG 42 15.319 4.137 20.292 335 HA ARG 42 HA ARG 42 12.795 3.200 19.018 336 HB2 ARG 42 1HB ARG 42 13.099 2.728 21.437 337 HB3 ARG 42 2HB ARG 42 13.255 4.450 21.750 338 HG2 ARG 42 1HG ARG 42 10.971 4.850 21.115 339 HG3 ARG 42 2HG ARG 42 10.788 3.172 20.548 340 HD2 ARG 42 1HD ARG 42 9.779 3.408 22.698 341 HD3 ARG 42 2HD ARG 42 11.238 2.400 22.841 342 HE ARG 42 HE ARG 42 11.979 5.060 23.358 343 HH11 ARG 42 1HH1 ARG 42 9.964 2.549 24.763 344 HH12 ARG 42 2HH1 ARG 42 10.169 3.126 26.401 345 HH21 ARG 42 1HH2 ARG 42 12.239 5.800 25.489 346 HH22 ARG 42 2HH2 ARG 42 11.457 4.966 26.814 347 H VAL 43 H VAL 43 11.164 4.607 18.439 348 HA VAL 43 HA VAL 43 11.819 7.507 18.497 349 HB VAL 43 HB VAL 43 12.646 6.565 16.332 350 HG11 VAL 43 1HG1 VAL 43 11.040 5.740 14.681 351 HG12 VAL 43 2HG1 VAL 43 11.105 4.701 16.124 352 HG13 VAL 43 3HG1 VAL 43 9.745 5.827 15.898 353 HG21 VAL 43 1HG2 VAL 43 11.456 8.178 14.882 354 HG22 VAL 43 2HG2 VAL 43 10.179 8.339 16.111 355 HG23 VAL 43 3HG2 VAL 43 11.833 8.894 16.466 356 H SER 44 H SER 44 10.074 8.875 18.499 357 HA SER 44 HA SER 44 7.365 7.741 18.243 358 HB2 SER 44 1HB SER 44 7.941 7.256 20.575 359 HB3 SER 44 2HB SER 44 8.403 8.930 20.836 360 HG SER 44 HG SER 44 5.875 8.270 19.852 361 H PHE 45 H PHE 45 5.811 9.233 17.760 362 HA PHE 45 HA PHE 45 6.309 12.067 18.348 363 HB2 PHE 45 1HB PHE 45 6.045 12.872 16.098 364 HB3 PHE 45 2HB PHE 45 7.340 11.686 16.082 365 HD1 PHE 45 HD1 PHE 45 3.864 12.364 15.101 366 HD2 PHE 45 HD2 PHE 45 7.107 9.589 14.924 367 HE1 PHE 45 HE1 PHE 45 2.701 11.122 13.308 368 HE2 PHE 45 HE2 PHE 45 5.949 8.345 13.128 369 HZ PHE 45 HZ PHE 45 3.743 9.112 12.322 370 H LYS 46 H LYS 46 4.425 13.405 18.068 371 HA LYS 46 HA LYS 46 1.938 11.774 18.326 372 HB2 LYS 46 1HB LYS 46 2.602 13.082 20.339 373 HB3 LYS 46 2HB LYS 46 2.543 14.562 19.391 374 HG2 LYS 46 1HG LYS 46 0.141 14.283 19.036 375 HG3 LYS 46 2HG LYS 46 0.174 12.738 19.898 376 HD2 LYS 46 1HD LYS 46 0.939 13.898 21.948 377 HD3 LYS 46 2HD LYS 46 0.902 15.443 21.085 378 HE2 LYS 46 1HE LYS 46 -1.526 15.167 20.696 379 HE3 LYS 46 2HE LYS 46 -1.491 13.626 21.558 380 HZ1 LYS 46 1HZ LYS 46 -2.218 15.408 22.967 381 HZ2 LYS 46 2HZ LYS 46 -0.786 14.807 23.524 382 HZ3 LYS 46 3HZ LYS 46 -0.820 16.247 22.719 383 H ASP 47 H ASP 47 0.233 12.094 17.053 384 HA ASP 47 HA ASP 47 -0.264 14.591 15.701 385 HB2 ASP 47 1HB ASP 47 1.644 13.432 14.339 386 HB3 ASP 47 2HB ASP 47 0.388 12.324 13.804 387 H LYS 48 H LYS 48 -2.196 14.534 14.367 388 HA LYS 48 HA LYS 48 -4.454 14.070 14.300 389 HB2 LYS 48 1HB LYS 48 -3.443 11.200 14.182 390 HB3 LYS 48 2HB LYS 48 -5.059 11.732 13.740 391 HG2 LYS 48 1HG LYS 48 -4.085 13.128 11.930 392 HG3 LYS 48 2HG LYS 48 -2.479 12.521 12.358 393 HD2 LYS 48 1HD LYS 48 -3.246 10.203 11.904 394 HD3 LYS 48 2HD LYS 48 -4.836 10.830 11.445 395 HE2 LYS 48 1HE LYS 48 -3.809 12.128 9.617 396 HE3 LYS 48 2HE LYS 48 -2.211 11.540 10.084 397 HZ1 LYS 48 1HZ LYS 48 -3.118 10.285 8.270 398 HZ2 LYS 48 2HZ LYS 48 -2.952 9.311 9.591 399 HZ3 LYS 48 3HZ LYS 48 -4.444 9.861 9.155 400 H ASP 49 H ASP 49 -3.314 14.390 16.908 401 HA ASP 49 HA ASP 49 -3.999 14.216 19.098 402 HB2 ASP 49 1HB ASP 49 -6.541 13.139 17.812 403 HB3 ASP 49 2HB ASP 49 -6.392 13.606 19.500 404 H THR 50 H THR 50 -2.573 11.984 17.839 405 HA THR 50 HA THR 50 -2.931 10.202 20.137 406 HB THR 50 HB THR 50 -4.473 9.176 18.490 407 HG1 THR 50 HG1 THR 50 -2.086 7.631 18.690 408 HG21 THR 50 1HG2 THR 50 -3.567 8.225 16.405 409 HG22 THR 50 2HG2 THR 50 -3.378 9.995 16.432 410 HG23 THR 50 3HG2 THR 50 -1.980 8.945 16.762 411 HA PRO 51 HA PRO 51 1.394 10.147 19.581 412 HB2 PRO 51 1HB PRO 51 2.093 8.307 21.469 413 HB3 PRO 51 2HB PRO 51 1.438 9.887 21.919 414 HG2 PRO 51 1HG PRO 51 -0.010 7.214 21.687 415 HG3 PRO 51 2HG PRO 51 -0.075 8.382 23.011 416 HD2 PRO 51 1HD PRO 51 -1.987 8.308 21.051 417 HD3 PRO 51 2HD PRO 51 -1.490 9.854 21.848 418 H PHE 52 H PHE 52 2.959 8.963 18.481 419 HA PHE 52 HA PHE 52 2.237 6.158 17.734 420 HB2 PHE 52 1HB PHE 52 3.762 8.215 16.085 421 HB3 PHE 52 2HB PHE 52 3.528 6.534 15.633 422 HD1 PHE 52 HD1 PHE 52 1.987 9.824 15.894 423 HD2 PHE 52 HD2 PHE 52 1.308 5.704 14.990 424 HE1 PHE 52 HE1 PHE 52 -0.149 10.418 14.801 425 HE2 PHE 52 HE2 PHE 52 -0.828 6.295 13.894 426 HZ PHE 52 HZ PHE 52 -1.557 8.653 13.801 427 H THR 53 H THR 53 3.715 4.599 18.023 428 HA THR 53 HA THR 53 6.454 5.427 18.856 429 HB THR 53 HB THR 53 4.720 3.386 20.315 430 HG1 THR 53 HG1 THR 53 5.821 5.787 21.361 431 HG21 THR 53 1HG2 THR 53 6.624 3.244 21.872 432 HG22 THR 53 2HG2 THR 53 7.105 2.749 20.232 433 HG23 THR 53 3HG2 THR 53 7.553 4.358 20.844 434 H ALA 54 H ALA 54 8.068 4.243 18.065 435 HA ALA 54 HA ALA 54 7.554 1.501 17.140 436 HB1 ALA 54 1HB ALA 54 8.490 1.925 14.890 437 HB2 ALA 54 2HB ALA 54 6.983 2.833 15.159 438 HB3 ALA 54 3HB ALA 54 8.552 3.665 15.253 439 H MET 55 H MET 55 9.645 0.541 16.206 440 HA MET 55 HA MET 55 12.081 1.675 17.390 441 HB2 MET 55 1HB MET 55 11.022 0.519 19.310 442 HB3 MET 55 2HB MET 55 10.936 -0.968 18.377 443 HG2 MET 55 1HG MET 55 13.402 -1.034 18.258 444 HG3 MET 55 2HG MET 55 13.483 0.454 19.204 445 HE1 MET 55 1HE MET 55 12.279 -0.593 22.717 446 HE2 MET 55 2HE MET 55 13.106 0.642 21.736 447 HE3 MET 55 3HE MET 55 11.391 0.268 21.436 448 H GLY 56 H GLY 56 13.853 1.125 16.313 449 HA2 GLY 56 1HA GLY 56 13.715 -1.228 14.476 450 HA3 GLY 56 2HA GLY 56 14.151 0.345 13.836 451 H ALA 57 H ALA 57 16.001 -1.419 13.373 452 HA ALA 57 HA ALA 57 18.241 -0.592 15.032 453 HB1 ALA 57 1HB ALA 57 18.937 -2.875 15.679 454 HB2 ALA 57 2HB ALA 57 17.380 -2.428 16.414 455 HB3 ALA 57 3HB ALA 57 17.420 -3.519 15.010 456 H GLY 58 H GLY 58 20.293 -1.202 14.180 457 HA2 GLY 58 1HA GLY 58 20.409 -2.600 11.607 458 HA3 GLY 58 2HA GLY 58 20.630 -0.866 11.470 459 H ARG 59 H ARG 59 22.771 -1.644 10.631 460 HA ARG 59 HA ARG 59 24.622 -2.801 12.577 461 HB2 ARG 59 1HB ARG 59 25.067 -1.728 9.770 462 HB3 ARG 59 2HB ARG 59 26.286 -2.544 10.736 463 HG2 ARG 59 1HG ARG 59 25.039 -4.607 10.692 464 HG3 ARG 59 2HG ARG 59 23.667 -3.805 9.891 465 HD2 ARG 59 1HD ARG 59 26.442 -4.106 8.766 466 HD3 ARG 59 2HD ARG 59 25.018 -5.078 8.329 467 HE ARG 59 HE ARG 59 24.355 -2.372 7.968 468 HH11 ARG 59 1HH1 ARG 59 26.541 -4.770 6.622 469 HH12 ARG 59 2HH1 ARG 59 26.563 -4.041 5.032 470 HH21 ARG 59 1HH2 ARG 59 24.391 -1.435 5.900 471 HH22 ARG 59 2HH2 ARG 59 25.346 -2.153 4.622 472 H SER 60 H SER 60 23.602 0.345 11.661 473 HA SER 60 HA SER 60 25.681 1.465 13.463 474 HB2 SER 60 1HB SER 60 26.163 3.295 11.975 475 HB3 SER 60 2HB SER 60 26.432 1.792 11.106 476 HG SER 60 HG SER 60 25.072 2.456 9.745 477 H LYS 61 H LYS 61 25.157 3.784 14.038 478 HA LYS 61 HA LYS 61 22.542 3.971 15.122 479 HB2 LYS 61 1HB LYS 61 24.624 6.111 14.542 480 HB3 LYS 61 2HB LYS 61 23.130 6.428 15.414 481 HG2 LYS 61 1HG LYS 61 23.794 4.802 17.150 482 HG3 LYS 61 2HG LYS 61 25.299 4.492 16.274 483 HD2 LYS 61 1HD LYS 61 25.934 6.871 16.515 484 HD3 LYS 61 2HD LYS 61 24.427 7.184 17.389 485 HE2 LYS 61 1HE LYS 61 25.104 5.615 19.158 486 HE3 LYS 61 2HE LYS 61 26.587 5.236 18.277 487 HZ1 LYS 61 1HZ LYS 61 26.969 6.845 19.996 488 HZ2 LYS 61 2HZ LYS 61 27.250 7.529 18.521 489 HZ3 LYS 61 3HZ LYS 61 25.865 7.883 19.345 490 H LYS 62 H LYS 62 23.898 5.177 12.081 491 HA LYS 62 HA LYS 62 21.609 6.735 11.333 492 HB2 LYS 62 1HB LYS 62 23.871 6.966 10.299 493 HB3 LYS 62 2HB LYS 62 23.678 5.387 9.551 494 HG2 LYS 62 1HG LYS 62 21.793 6.203 8.227 495 HG3 LYS 62 2HG LYS 62 21.888 7.778 9.028 496 HD2 LYS 62 1HD LYS 62 24.276 7.953 8.178 497 HD3 LYS 62 2HD LYS 62 23.960 6.504 7.212 498 HE2 LYS 62 1HE LYS 62 22.301 9.045 7.058 499 HE3 LYS 62 2HE LYS 62 23.641 8.670 5.971 500 HZ1 LYS 62 1HZ LYS 62 21.539 8.051 5.027 501 HZ2 LYS 62 2HZ LYS 62 22.453 6.702 5.281 502 HZ3 LYS 62 3HZ LYS 62 21.201 7.053 6.296 503 H GLU 63 H GLU 63 22.620 3.418 10.461 504 HA GLU 63 HA GLU 63 20.353 2.888 8.808 505 HB2 GLU 63 1HB GLU 63 22.262 1.065 10.314 506 HB3 GLU 63 2HB GLU 63 20.980 0.446 9.282 507 HG2 GLU 63 1HG GLU 63 21.971 1.776 7.389 508 HG3 GLU 63 2HG GLU 63 23.323 2.163 8.450 509 H ALA 64 H ALA 64 20.935 2.477 12.275 510 HA ALA 64 HA ALA 64 18.582 0.976 12.844 511 HB1 ALA 64 1HB ALA 64 18.906 1.751 15.171 512 HB2 ALA 64 2HB ALA 64 20.431 1.195 14.442 513 HB3 ALA 64 3HB ALA 64 20.104 2.936 14.601 514 H LYS 65 H LYS 65 19.185 4.477 12.718 515 HA LYS 65 HA LYS 65 16.543 5.233 13.553 516 HB2 LYS 65 1HB LYS 65 18.692 6.684 11.968 517 HB3 LYS 65 2HB LYS 65 17.161 7.432 12.399 518 HG2 LYS 65 1HG LYS 65 17.666 7.116 14.790 519 HG3 LYS 65 2HG LYS 65 19.201 6.346 14.363 520 HD2 LYS 65 1HD LYS 65 19.929 8.422 13.229 521 HD3 LYS 65 2HD LYS 65 18.394 9.192 13.656 522 HE2 LYS 65 1HE LYS 65 18.905 8.924 16.049 523 HE3 LYS 65 2HE LYS 65 20.419 8.108 15.649 524 HZ1 LYS 65 1HZ LYS 65 20.766 10.413 16.152 525 HZ2 LYS 65 2HZ LYS 65 21.154 10.124 14.575 526 HZ3 LYS 65 3HZ LYS 65 19.741 10.887 14.951 527 H HIS 66 H HIS 66 17.983 4.484 10.413 528 HA HIS 66 HA HIS 66 15.699 5.239 8.827 529 HB2 HIS 66 1HB HIS 66 17.973 3.286 8.350 530 HB3 HIS 66 2HB HIS 66 16.717 3.602 7.161 531 HD2 HIS 66 HD2 HIS 66 20.222 4.765 7.468 532 HE1 HIS 66 HE1 HIS 66 18.053 8.262 6.411 533 H ALA 67 H ALA 67 16.691 2.178 10.355 534 HA ALA 67 HA ALA 67 14.458 0.661 9.427 535 HB1 ALA 67 1HB ALA 67 15.010 -0.880 11.282 536 HB2 ALA 67 2HB ALA 67 16.463 -0.388 10.379 537 HB3 ALA 67 3HB ALA 67 16.108 0.344 11.961 538 H ALA 68 H ALA 68 14.944 2.678 12.309 539 HA ALA 68 HA ALA 68 12.403 2.132 13.495 540 HB1 ALA 68 1HB ALA 68 12.778 4.235 14.743 541 HB2 ALA 68 2HB ALA 68 14.231 3.208 14.730 542 HB3 ALA 68 3HB ALA 68 14.134 4.626 13.661 543 H ALA 69 H ALA 69 13.462 4.532 11.103 544 HA ALA 69 HA ALA 69 10.977 5.896 10.866 545 HB1 ALA 69 1HB ALA 69 11.802 6.578 8.636 546 HB2 ALA 69 2HB ALA 69 13.058 6.750 9.885 547 HB3 ALA 69 3HB ALA 69 13.105 5.374 8.758 548 H ARG 70 H ARG 70 12.239 3.007 9.208 549 HA ARG 70 HA ARG 70 9.960 2.553 7.560 550 HB2 ARG 70 1HB ARG 70 11.985 0.639 8.761 551 HB3 ARG 70 2HB ARG 70 10.746 0.142 7.619 552 HG2 ARG 70 1HG ARG 70 11.681 1.557 5.896 553 HG3 ARG 70 2HG ARG 70 12.859 2.235 7.046 554 HD2 ARG 70 1HD ARG 70 13.837 0.031 7.338 555 HD3 ARG 70 2HD ARG 70 12.663 -0.642 6.184 556 HE ARG 70 HE ARG 70 13.906 1.441 4.847 557 HH11 ARG 70 1HH1 ARG 70 14.912 -1.545 6.400 558 HH12 ARG 70 2HH1 ARG 70 16.282 -1.782 5.338 559 HH21 ARG 70 1HH2 ARG 70 15.686 1.122 3.474 560 HH22 ARG 70 2HH2 ARG 70 16.721 -0.274 3.681 561 H ALA 71 H ALA 71 10.707 1.625 10.904 562 HA ALA 71 HA ALA 71 8.424 -0.065 11.259 563 HB1 ALA 71 1HB ALA 71 8.869 0.217 13.676 564 HB2 ALA 71 2HB ALA 71 10.358 -0.136 12.768 565 HB3 ALA 71 3HB ALA 71 10.015 1.525 13.304 566 H LEU 72 H LEU 72 8.944 3.409 11.671 567 HA LEU 72 HA LEU 72 6.440 4.005 12.893 568 HB2 LEU 72 1HB LEU 72 8.330 5.603 11.150 569 HB3 LEU 72 2HB LEU 72 6.828 6.294 11.770 570 HG LEU 72 HG LEU 72 9.075 5.193 13.496 571 HD11 LEU 72 1HD1 LEU 72 9.540 7.553 13.985 572 HD12 LEU 72 2HD1 LEU 72 9.761 7.184 12.259 573 HD13 LEU 72 3HD1 LEU 72 8.301 8.042 12.806 574 HD21 LEU 72 1HD2 LEU 72 7.818 6.300 15.314 575 HD22 LEU 72 2HD2 LEU 72 6.554 6.772 14.153 576 HD23 LEU 72 3HD2 LEU 72 6.828 5.052 14.519 577 H ILE 73 H ILE 73 7.416 3.727 9.484 578 HA ILE 73 HA ILE 73 4.904 4.421 8.340 579 HB ILE 73 HB ILE 73 7.126 2.580 7.374 580 HG12 ILE 73 1HG1 ILE 73 7.734 4.929 7.579 581 HG13 ILE 73 2HG1 ILE 73 7.671 4.429 5.896 582 HG21 ILE 73 1HG2 ILE 73 6.040 2.679 5.167 583 HG22 ILE 73 2HG2 ILE 73 4.987 1.887 6.362 584 HG23 ILE 73 3HG2 ILE 73 4.672 3.569 5.875 585 HD11 ILE 73 1HD1 ILE 73 6.701 6.639 6.191 586 HD12 ILE 73 2HD1 ILE 73 5.463 5.479 5.653 587 HD13 ILE 73 3HD1 ILE 73 5.527 5.986 7.358 588 H ASP 74 H ASP 74 6.208 1.286 9.433 589 HA ASP 74 HA ASP 74 3.890 -0.257 8.819 590 HB2 ASP 74 1HB ASP 74 6.065 -0.579 10.915 591 HB3 ASP 74 2HB ASP 74 4.772 -1.752 10.711 592 H LYS 75 H LYS 75 4.766 1.708 11.637 593 HA LYS 75 HA LYS 75 2.529 0.949 13.256 594 HB2 LYS 75 1HB LYS 75 4.503 2.087 14.186 595 HB3 LYS 75 2HB LYS 75 4.160 3.519 13.225 596 HG2 LYS 75 1HG LYS 75 3.445 3.918 15.477 597 HG3 LYS 75 2HG LYS 75 2.005 3.784 14.459 598 HD2 LYS 75 1HD LYS 75 1.676 1.460 15.184 599 HD3 LYS 75 2HD LYS 75 3.156 1.535 16.152 600 HE2 LYS 75 1HE LYS 75 2.182 3.276 17.570 601 HE3 LYS 75 2HE LYS 75 0.731 3.322 16.566 602 HZ1 LYS 75 1HZ LYS 75 0.404 2.008 18.530 603 HZ2 LYS 75 2HZ LYS 75 0.295 1.047 17.194 604 HZ3 LYS 75 3HZ LYS 75 1.650 1.005 18.133 605 H LEU 76 H LEU 76 3.009 3.564 10.893 606 HA LEU 76 HA LEU 76 0.450 4.784 11.296 607 HB2 LEU 76 1HB LEU 76 2.340 4.751 8.921 608 HB3 LEU 76 2HB LEU 76 0.864 5.720 8.974 609 HG LEU 76 HG LEU 76 3.159 5.998 10.945 610 HD11 LEU 76 1HD1 LEU 76 3.725 8.022 9.677 611 HD12 LEU 76 2HD1 LEU 76 3.875 6.558 8.678 612 HD13 LEU 76 3HD1 LEU 76 2.466 7.627 8.484 613 HD21 LEU 76 1HD2 LEU 76 2.005 8.111 11.503 614 HD22 LEU 76 2HD2 LEU 76 0.720 7.718 10.335 615 HD23 LEU 76 3HD2 LEU 76 0.945 6.709 11.784 616 H ILE 77 H ILE 77 1.590 2.208 9.134 617 HA ILE 77 HA ILE 77 -0.925 1.895 7.762 618 HB ILE 77 HB ILE 77 1.466 0.048 8.118 619 HG12 ILE 77 1HG1 ILE 77 0.480 1.510 5.663 620 HG13 ILE 77 2HG1 ILE 77 1.682 2.166 6.763 621 HG21 ILE 77 1HG2 ILE 77 0.450 -1.358 6.371 622 HG22 ILE 77 2HG2 ILE 77 -0.574 -1.304 7.824 623 HG23 ILE 77 3HG2 ILE 77 -1.009 -0.339 6.394 624 HD11 ILE 77 1HD1 ILE 77 2.734 1.127 4.833 625 HD12 ILE 77 2HD1 ILE 77 3.151 0.246 6.323 626 HD13 ILE 77 3HD1 ILE 77 1.934 -0.417 5.207 627 H GLY 78 H GLY 78 0.552 0.340 10.601 628 HA2 GLY 78 1HA GLY 78 -0.920 -0.493 12.392 629 HA3 GLY 78 2HA GLY 78 -2.095 -0.938 11.169 630 H ALA 79 H ALA 79 1.209 -1.494 10.345 631 HA ALA 79 HA ALA 79 0.717 -4.393 10.399 632 HB1 ALA 79 1HB ALA 79 2.848 -4.532 9.149 633 HB2 ALA 79 2HB ALA 79 1.712 -3.390 8.392 634 HB3 ALA 79 3HB ALA 79 3.076 -2.781 9.359 635 H GLN 80 H GLN 80 2.264 -5.913 11.239 636 HA GLN 80 HA GLN 80 2.956 -5.419 13.943 637 HB2 GLN 80 1HB GLN 80 2.643 -7.687 13.116 638 HB3 GLN 80 2HB GLN 80 3.975 -7.511 11.982 639 HG2 GLN 80 1HG GLN 80 4.721 -8.827 13.821 640 HG3 GLN 80 2HG GLN 80 5.521 -7.233 13.927 641 HE21 GLN 80 1HE2 GLN 80 4.562 -6.832 17.224 642 HE22 GLN 80 2HE2 GLN 80 5.747 -6.641 15.974 643 H LEU 81 H LEU 81 4.591 -4.465 14.918 644 HA LEU 81 HA LEU 81 6.679 -3.226 13.291 645 HB2 LEU 81 1HB LEU 81 6.226 -3.263 16.296 646 HB3 LEU 81 2HB LEU 81 7.437 -2.284 15.464 647 HG LEU 81 HG LEU 81 4.425 -2.022 15.158 648 HD11 LEU 81 1HD1 LEU 81 4.757 0.103 16.341 649 HD12 LEU 81 2HD1 LEU 81 5.247 -1.288 17.337 650 HD13 LEU 81 3HD1 LEU 81 6.483 -0.281 16.545 651 HD21 LEU 81 1HD2 LEU 81 5.001 -0.008 13.845 652 HD22 LEU 81 2HD2 LEU 81 6.731 -0.393 14.014 653 HD23 LEU 81 3HD2 LEU 81 5.665 -1.477 13.089 654 HA PRO 82 HA PRO 82 9.701 -6.313 13.858 655 HB2 PRO 82 1HB PRO 82 11.991 -4.870 13.431 656 HB3 PRO 82 2HB PRO 82 10.855 -5.233 12.126 657 HG2 PRO 82 1HG PRO 82 11.090 -2.699 13.805 658 HG3 PRO 82 2HG PRO 82 10.967 -2.839 12.048 659 HD2 PRO 82 1HD PRO 82 8.779 -2.309 13.586 660 HD3 PRO 82 2HD PRO 82 8.662 -3.325 12.093 661 H GLU 83 H GLU 83 11.487 -6.945 15.274 662 HA GLU 83 HA GLU 83 12.086 -5.210 17.572 663 HB2 GLU 83 1HB GLU 83 9.950 -6.312 18.220 664 HB3 GLU 83 2HB GLU 83 10.681 -7.887 17.948 665 HG2 GLU 83 1HG GLU 83 12.284 -7.488 19.744 666 HG3 GLU 83 2HG GLU 83 11.638 -5.867 19.988 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -0.137 14.517 -2.818 2 H2 ASN 1 2H ASN 1 -0.431 12.914 -2.707 3 H3 ASN 1 3H ASN 1 -0.007 13.760 -1.377 4 HA ASN 1 HA ASN 1 1.658 13.251 -3.711 5 HB2 ASN 1 1HB ASN 1 2.199 14.787 -1.150 6 HB3 ASN 1 2HB ASN 1 3.454 14.273 -2.269 7 HD21 ASN 1 1HD2 ASN 1 1.961 17.779 -2.867 8 HD22 ASN 1 2HD2 ASN 1 2.215 16.936 -1.376 9 H GLY 2 H GLY 2 3.153 11.659 -3.550 10 HA2 GLY 2 1HA GLY 2 2.616 9.674 -1.407 11 HA3 GLY 2 2HA GLY 2 3.440 9.365 -2.924 12 H LEU 3 H LEU 3 5.077 8.297 -1.629 13 HA LEU 3 HA LEU 3 6.899 10.223 -0.251 14 HB2 LEU 3 1HB LEU 3 6.653 7.219 0.134 15 HB3 LEU 3 2HB LEU 3 7.768 8.285 0.995 16 HG LEU 3 HG LEU 3 4.736 8.383 1.190 17 HD11 LEU 3 1HD1 LEU 3 5.103 7.475 3.441 18 HD12 LEU 3 2HD1 LEU 3 5.682 6.361 2.180 19 HD13 LEU 3 3HD1 LEU 3 6.845 7.342 3.103 20 HD21 LEU 3 1HD2 LEU 3 5.188 9.952 3.046 21 HD22 LEU 3 2HD2 LEU 3 6.933 9.855 2.703 22 HD23 LEU 3 3HD2 LEU 3 5.830 10.578 1.508 23 H ALA 4 H ALA 4 9.074 10.207 -0.696 24 HA ALA 4 HA ALA 4 9.775 9.148 -3.334 25 HB1 ALA 4 1HB ALA 4 11.910 10.346 -2.976 26 HB2 ALA 4 2HB ALA 4 10.505 11.400 -2.686 27 HB3 ALA 4 3HB ALA 4 11.409 10.724 -1.311 28 H MET 5 H MET 5 11.809 7.989 -3.710 29 HA MET 5 HA MET 5 12.171 5.864 -1.682 30 HB2 MET 5 1HB MET 5 13.208 6.151 -4.528 31 HB3 MET 5 2HB MET 5 13.537 4.775 -3.485 32 HG2 MET 5 1HG MET 5 10.790 5.652 -4.422 33 HG3 MET 5 2HG MET 5 11.737 4.320 -5.091 34 HE1 MET 5 1HE MET 5 11.703 1.647 -2.309 35 HE2 MET 5 2HE MET 5 12.026 2.004 -4.024 36 HE3 MET 5 3HE MET 5 12.994 2.789 -2.753 37 H LYS 6 H LYS 6 13.076 8.171 -0.661 38 HA LYS 6 HA LYS 6 16.027 8.116 -1.096 39 HB2 LYS 6 1HB LYS 6 16.054 10.341 -0.042 40 HB3 LYS 6 2HB LYS 6 14.988 10.316 -1.440 41 HG2 LYS 6 1HG LYS 6 13.038 10.058 0.105 42 HG3 LYS 6 2HG LYS 6 14.150 10.225 1.471 43 HD2 LYS 6 1HD LYS 6 14.801 12.456 0.729 44 HD3 LYS 6 2HD LYS 6 13.825 12.290 -0.737 45 HE2 LYS 6 1HE LYS 6 11.784 12.078 0.675 46 HE3 LYS 6 2HE LYS 6 12.775 12.316 2.117 47 HZ1 LYS 6 1HZ LYS 6 11.743 14.347 1.410 48 HZ2 LYS 6 2HZ LYS 6 13.382 14.478 1.271 49 HZ3 LYS 6 3HZ LYS 6 12.455 14.256 -0.075 50 H THR 7 H THR 7 16.561 9.513 1.377 51 HA THR 7 HA THR 7 17.083 7.307 3.069 52 HB THR 7 HB THR 7 16.861 10.252 3.830 53 HG1 THR 7 HG1 THR 7 18.831 10.429 3.026 54 HG21 THR 7 1HG2 THR 7 18.367 9.633 5.680 55 HG22 THR 7 2HG2 THR 7 16.833 8.736 5.781 56 HG23 THR 7 3HG2 THR 7 18.297 7.929 5.173 57 HA PRO 8 HA PRO 8 13.089 6.332 4.512 58 HB2 PRO 8 1HB PRO 8 14.788 5.223 6.795 59 HB3 PRO 8 2HB PRO 8 13.411 4.473 5.977 60 HG2 PRO 8 1HG PRO 8 15.852 3.695 5.277 61 HG3 PRO 8 2HG PRO 8 14.662 3.992 4.006 62 HD2 PRO 8 1HD PRO 8 16.951 5.754 4.943 63 HD3 PRO 8 2HD PRO 8 16.343 5.466 3.264 64 H VAL 9 H VAL 9 15.584 7.645 6.714 65 HA VAL 9 HA VAL 9 13.821 8.554 8.758 66 HB VAL 9 HB VAL 9 16.560 9.543 7.867 67 HG11 VAL 9 1HG1 VAL 9 16.691 10.706 10.016 68 HG12 VAL 9 2HG1 VAL 9 15.394 11.355 8.986 69 HG13 VAL 9 3HG1 VAL 9 14.996 10.282 10.349 70 HG21 VAL 9 1HG2 VAL 9 17.311 8.307 9.875 71 HG22 VAL 9 2HG2 VAL 9 15.632 7.809 10.195 72 HG23 VAL 9 3HG2 VAL 9 16.470 7.231 8.734 73 H SER 10 H SER 10 15.151 10.192 5.876 74 HA SER 10 HA SER 10 13.904 12.721 6.482 75 HB2 SER 10 1HB SER 10 14.648 13.399 4.301 76 HB3 SER 10 2HB SER 10 15.915 12.421 5.026 77 HG SER 10 HG SER 10 14.617 10.659 3.885 78 H ILE 11 H ILE 11 12.898 9.827 4.780 79 HA ILE 11 HA ILE 11 10.593 10.940 3.492 80 HB ILE 11 HB ILE 11 11.235 8.121 4.443 81 HG12 ILE 11 1HG1 ILE 11 11.104 9.246 1.640 82 HG13 ILE 11 2HG1 ILE 11 12.582 9.174 2.586 83 HG21 ILE 11 1HG2 ILE 11 9.316 7.392 3.084 84 HG22 ILE 11 2HG2 ILE 11 8.791 8.446 4.417 85 HG23 ILE 11 3HG2 ILE 11 8.893 9.090 2.761 86 HD11 ILE 11 1HD1 ILE 11 12.425 7.288 1.060 87 HD12 ILE 11 2HD1 ILE 11 12.374 6.731 2.750 88 HD13 ILE 11 3HD1 ILE 11 10.877 6.803 1.791 89 H LEU 12 H LEU 12 10.974 9.239 6.619 90 HA LEU 12 HA LEU 12 8.324 9.595 7.539 91 HB2 LEU 12 1HB LEU 12 9.895 8.138 8.683 92 HB3 LEU 12 2HB LEU 12 10.952 9.502 9.060 93 HG LEU 12 HG LEU 12 9.155 10.439 10.524 94 HD11 LEU 12 1HD1 LEU 12 7.267 8.989 11.126 95 HD12 LEU 12 2HD1 LEU 12 7.240 9.421 9.401 96 HD13 LEU 12 3HD1 LEU 12 7.788 7.805 9.905 97 HD21 LEU 12 1HD2 LEU 12 9.466 8.766 12.317 98 HD22 LEU 12 2HD2 LEU 12 10.018 7.577 11.113 99 HD23 LEU 12 3HD2 LEU 12 10.983 9.039 11.426 100 H GLN 13 H GLN 13 11.194 11.682 7.983 101 HA GLN 13 HA GLN 13 9.969 13.664 9.566 102 HB2 GLN 13 1HB GLN 13 12.219 13.835 7.531 103 HB3 GLN 13 2HB GLN 13 11.734 15.202 8.525 104 HG2 GLN 13 1HG GLN 13 12.298 14.004 10.549 105 HG3 GLN 13 2HG GLN 13 12.668 12.535 9.604 106 HE21 GLN 13 1HE2 GLN 13 15.779 14.504 10.485 107 HE22 GLN 13 2HE2 GLN 13 14.422 13.970 11.421 108 H GLU 14 H GLU 14 10.268 13.508 6.007 109 HA GLU 14 HA GLU 14 8.931 15.941 5.454 110 HB2 GLU 14 1HB GLU 14 10.193 14.697 3.750 111 HB3 GLU 14 2HB GLU 14 9.043 13.370 3.826 112 HG2 GLU 14 1HG GLU 14 7.276 14.818 2.955 113 HG3 GLU 14 2HG GLU 14 8.387 16.185 2.932 114 H LEU 15 H LEU 15 7.605 12.613 5.528 115 HA LEU 15 HA LEU 15 4.963 13.263 4.856 116 HB2 LEU 15 1HB LEU 15 5.795 10.963 4.981 117 HB3 LEU 15 2HB LEU 15 5.981 11.099 6.732 118 HG LEU 15 HG LEU 15 3.514 11.338 6.953 119 HD11 LEU 15 1HD1 LEU 15 2.099 10.863 5.004 120 HD12 LEU 15 2HD1 LEU 15 3.072 12.334 4.768 121 HD13 LEU 15 3HD1 LEU 15 3.543 10.816 3.967 122 HD21 LEU 15 1HD2 LEU 15 3.007 8.983 6.398 123 HD22 LEU 15 2HD2 LEU 15 4.465 8.909 5.379 124 HD23 LEU 15 3HD2 LEU 15 4.619 9.134 7.138 125 H LEU 16 H LEU 16 6.503 13.194 8.069 126 HA LEU 16 HA LEU 16 4.032 13.854 9.443 127 HB2 LEU 16 1HB LEU 16 6.939 13.855 10.320 128 HB3 LEU 16 2HB LEU 16 5.591 14.220 11.401 129 HG LEU 16 HG LEU 16 6.054 11.578 9.971 130 HD11 LEU 16 1HD1 LEU 16 6.533 10.744 12.229 131 HD12 LEU 16 2HD1 LEU 16 7.676 12.018 11.742 132 HD13 LEU 16 3HD1 LEU 16 6.356 12.392 12.875 133 HD21 LEU 16 1HD2 LEU 16 4.174 10.797 11.373 134 HD22 LEU 16 2HD2 LEU 16 3.962 12.446 12.009 135 HD23 LEU 16 3HD2 LEU 16 3.660 12.110 10.287 136 H SER 17 H SER 17 6.809 15.644 8.202 137 HA SER 17 HA SER 17 6.266 18.089 9.600 138 HB2 SER 17 1HB SER 17 7.866 19.084 8.122 139 HB3 SER 17 2HB SER 17 8.436 17.467 8.503 140 HG SER 17 HG SER 17 7.011 17.046 6.482 141 H ARG 18 H ARG 18 4.845 16.592 6.819 142 HA ARG 18 HA ARG 18 3.664 18.893 5.615 143 HB2 ARG 18 1HB ARG 18 2.724 16.012 5.775 144 HB3 ARG 18 2HB ARG 18 1.929 17.242 4.805 145 HG2 ARG 18 1HG ARG 18 3.872 17.500 3.408 146 HG3 ARG 18 2HG ARG 18 4.827 16.434 4.467 147 HD2 ARG 18 1HD ARG 18 3.203 14.623 3.968 148 HD3 ARG 18 2HD ARG 18 2.459 15.704 2.767 149 HE ARG 18 HE ARG 18 5.215 15.606 2.237 150 HH11 ARG 18 1HH1 ARG 18 2.436 13.457 2.214 151 HH12 ARG 18 2HH1 ARG 18 3.076 12.439 0.944 152 HH21 ARG 18 1HH2 ARG 18 6.035 14.276 0.589 153 HH22 ARG 18 2HH2 ARG 18 5.113 12.902 0.023 154 H ARG 19 H ARG 19 3.006 17.214 8.575 155 HA ARG 19 HA ARG 19 0.487 18.787 8.889 156 HB2 ARG 19 1HB ARG 19 1.478 16.293 10.305 157 HB3 ARG 19 2HB ARG 19 0.080 17.216 10.835 158 HG2 ARG 19 1HG ARG 19 -1.087 16.740 8.765 159 HG3 ARG 19 2HG ARG 19 0.351 15.916 8.113 160 HD2 ARG 19 1HD ARG 19 -1.321 14.357 8.951 161 HD3 ARG 19 2HD ARG 19 0.209 14.252 9.851 162 HE ARG 19 HE ARG 19 -0.863 14.982 11.748 163 HH11 ARG 19 1HH1 ARG 19 -2.946 15.491 8.966 164 HH12 ARG 19 2HH1 ARG 19 -4.347 15.897 9.931 165 HH21 ARG 19 1HH2 ARG 19 -2.688 15.510 12.991 166 HH22 ARG 19 2HH2 ARG 19 -4.202 15.908 12.210 167 H GLY 20 H GLY 20 3.584 19.290 9.376 168 HA2 GLY 20 1HA GLY 20 4.662 20.835 10.762 169 HA3 GLY 20 2HA GLY 20 3.170 21.053 11.658 170 H ILE 21 H ILE 21 4.504 17.854 11.098 171 HA ILE 21 HA ILE 21 5.054 17.673 14.028 172 HB ILE 21 HB ILE 21 4.198 15.482 12.088 173 HG12 ILE 21 1HG1 ILE 21 2.389 17.032 12.579 174 HG13 ILE 21 2HG1 ILE 21 2.106 15.468 13.326 175 HG21 ILE 21 1HG2 ILE 21 4.033 14.082 14.107 176 HG22 ILE 21 2HG2 ILE 21 5.700 14.649 13.857 177 HG23 ILE 21 3HG2 ILE 21 4.675 15.419 15.091 178 HD11 ILE 21 1HD1 ILE 21 1.493 17.281 14.826 179 HD12 ILE 21 2HD1 ILE 21 2.858 16.352 15.492 180 HD13 ILE 21 3HD1 ILE 21 3.144 17.937 14.735 181 H THR 22 H THR 22 6.990 17.057 14.734 182 HA THR 22 HA THR 22 8.924 16.032 12.697 183 HB THR 22 HB THR 22 9.495 17.719 15.172 184 HG1 THR 22 HG1 THR 22 10.405 18.908 13.071 185 HG21 THR 22 1HG2 THR 22 11.821 17.712 14.359 186 HG22 THR 22 2HG2 THR 22 11.271 16.060 14.728 187 HG23 THR 22 3HG2 THR 22 11.361 16.611 13.040 188 HA PRO 23 HA PRO 23 8.909 12.496 15.307 189 HB2 PRO 23 1HB PRO 23 10.638 10.955 13.851 190 HB3 PRO 23 2HB PRO 23 8.988 11.275 13.302 191 HG2 PRO 23 1HG PRO 23 11.574 12.677 12.501 192 HG3 PRO 23 2HG PRO 23 10.297 12.056 11.451 193 HD2 PRO 23 1HD PRO 23 10.411 14.692 12.164 194 HD3 PRO 23 2HD PRO 23 8.834 13.840 11.918 195 H GLY 24 H GLY 24 10.243 11.672 16.918 196 HA2 GLY 24 1HA GLY 24 12.975 12.892 17.125 197 HA3 GLY 24 2HA GLY 24 11.951 12.551 18.508 198 H TYR 25 H TYR 25 14.670 11.552 17.235 199 HA TYR 25 HA TYR 25 14.114 8.637 17.498 200 HB2 TYR 25 1HB TYR 25 16.469 10.157 16.316 201 HB3 TYR 25 2HB TYR 25 16.468 8.416 16.560 202 HD1 TYR 25 HD1 TYR 25 14.845 11.195 14.728 203 HD2 TYR 25 HD2 TYR 25 15.327 6.947 15.082 204 HE1 TYR 25 HE1 TYR 25 13.745 10.887 12.537 205 HE2 TYR 25 HE2 TYR 25 14.227 6.639 12.891 206 HH TYR 25 HH TYR 25 13.188 9.424 10.947 207 H GLU 26 H GLU 26 15.376 7.310 18.819 208 HA GLU 26 HA GLU 26 17.117 8.646 20.801 209 HB2 GLU 26 1HB GLU 26 14.800 8.738 21.745 210 HB3 GLU 26 2HB GLU 26 14.698 6.987 21.623 211 HG2 GLU 26 1HG GLU 26 16.546 6.743 23.206 212 HG3 GLU 26 2HG GLU 26 16.718 8.494 23.297 213 H LEU 27 H LEU 27 18.759 7.412 21.478 214 HA LEU 27 HA LEU 27 19.138 4.774 20.349 215 HB2 LEU 27 1HB LEU 27 21.043 6.224 20.778 216 HB3 LEU 27 2HB LEU 27 20.642 6.309 22.496 217 HG LEU 27 HG LEU 27 21.111 3.847 22.669 218 HD11 LEU 27 1HD1 LEU 27 22.332 2.780 20.826 219 HD12 LEU 27 2HD1 LEU 27 20.692 3.265 20.335 220 HD13 LEU 27 3HD1 LEU 27 22.096 4.234 19.828 221 HD21 LEU 27 1HD2 LEU 27 23.564 4.130 22.547 222 HD22 LEU 27 2HD2 LEU 27 23.346 5.604 21.573 223 HD23 LEU 27 3HD2 LEU 27 22.789 5.564 23.263 224 H VAL 28 H VAL 28 18.426 2.901 21.061 225 HA VAL 28 HA VAL 28 17.176 2.762 23.728 226 HB VAL 28 HB VAL 28 17.347 0.733 21.460 227 HG11 VAL 28 1HG1 VAL 28 15.654 -0.527 22.698 228 HG12 VAL 28 2HG1 VAL 28 17.178 -0.390 23.605 229 HG13 VAL 28 3HG1 VAL 28 15.785 0.625 24.048 230 HG21 VAL 28 1HG2 VAL 28 14.955 1.288 21.157 231 HG22 VAL 28 2HG2 VAL 28 15.073 2.498 22.457 232 HG23 VAL 28 3HG2 VAL 28 15.982 2.726 20.944 233 H GLN 29 H GLN 29 19.607 0.891 21.864 234 HA GLN 29 HA GLN 29 21.266 0.423 24.169 235 HB2 GLN 29 1HB GLN 29 19.358 -1.047 24.788 236 HB3 GLN 29 2HB GLN 29 19.522 -1.903 23.262 237 HG2 GLN 29 1HG GLN 29 21.714 -2.716 23.892 238 HG3 GLN 29 2HG GLN 29 21.658 -1.760 25.400 239 HE21 GLN 29 1HE2 GLN 29 20.777 -5.232 26.274 240 HE22 GLN 29 2HE2 GLN 29 22.158 -4.394 25.649 241 H ILE 30 H ILE 30 23.250 -0.172 23.564 242 HA ILE 30 HA ILE 30 23.574 -1.197 20.780 243 HB ILE 30 HB ILE 30 25.600 0.167 22.606 244 HG12 ILE 30 1HG1 ILE 30 24.314 1.187 20.064 245 HG13 ILE 30 2HG1 ILE 30 23.779 1.618 21.681 246 HG21 ILE 30 1HG2 ILE 30 27.058 0.146 20.622 247 HG22 ILE 30 2HG2 ILE 30 26.642 -1.508 21.127 248 HG23 ILE 30 3HG2 ILE 30 25.830 -0.776 19.724 249 HD11 ILE 30 1HD1 ILE 30 25.221 3.338 20.746 250 HD12 ILE 30 2HD1 ILE 30 25.985 2.585 22.167 251 HD13 ILE 30 3HD1 ILE 30 26.527 2.150 20.528 252 H GLU 31 H GLU 31 24.080 -3.241 20.495 253 HA GLU 31 HA GLU 31 25.674 -4.674 22.518 254 HB2 GLU 31 1HB GLU 31 23.336 -4.905 23.325 255 HB3 GLU 31 2HB GLU 31 22.860 -5.563 21.766 256 HG2 GLU 31 1HG GLU 31 24.397 -7.470 22.118 257 HG3 GLU 31 2HG GLU 31 24.821 -6.817 23.699 258 H GLY 32 H GLY 32 26.988 -6.113 21.629 259 HA2 GLY 32 1HA GLY 32 26.609 -8.014 19.732 260 HA3 GLY 32 2HA GLY 32 26.791 -6.591 18.722 261 H ALA 33 H ALA 33 28.751 -7.027 17.802 262 HA ALA 33 HA ALA 33 30.979 -7.995 19.421 263 HB1 ALA 33 1HB ALA 33 32.242 -7.902 17.296 264 HB2 ALA 33 2HB ALA 33 30.699 -8.767 17.108 265 HB3 ALA 33 3HB ALA 33 30.860 -7.097 16.519 266 H ILE 34 H ILE 34 33.115 -6.943 19.363 267 HA ILE 34 HA ILE 34 32.953 -4.325 20.468 268 HB ILE 34 HB ILE 34 35.307 -5.931 19.402 269 HG12 ILE 34 1HG1 ILE 34 34.538 -5.248 22.245 270 HG13 ILE 34 2HG1 ILE 34 34.040 -6.725 21.434 271 HG21 ILE 34 1HG2 ILE 34 36.750 -4.289 20.534 272 HG22 ILE 34 2HG2 ILE 34 35.815 -3.525 19.227 273 HG23 ILE 34 3HG2 ILE 34 35.324 -3.297 20.921 274 HD11 ILE 34 1HD1 ILE 34 35.997 -7.105 22.825 275 HD12 ILE 34 2HD1 ILE 34 36.393 -7.354 21.107 276 HD13 ILE 34 3HD1 ILE 34 36.897 -5.859 21.930 277 H HIS 35 H HIS 35 33.859 -5.470 17.224 278 HA HIS 35 HA HIS 35 34.098 -2.618 16.351 279 HB2 HIS 35 1HB HIS 35 35.126 -5.169 15.052 280 HB3 HIS 35 2HB HIS 35 35.294 -3.552 14.381 281 HD2 HIS 35 HD2 HIS 35 37.245 -5.913 16.592 282 HE1 HIS 35 HE1 HIS 35 38.775 -2.018 17.398 283 H GLU 36 H GLU 36 31.845 -4.995 16.494 284 HA GLU 36 HA GLU 36 30.324 -3.721 14.317 285 HB2 GLU 36 1HB GLU 36 31.507 -5.661 13.248 286 HB3 GLU 36 2HB GLU 36 30.721 -6.739 14.393 287 HG2 GLU 36 1HG GLU 36 28.532 -6.145 13.507 288 HG3 GLU 36 2HG GLU 36 29.266 -4.973 12.414 289 HA PRO 37 HA PRO 37 27.847 -4.978 18.003 290 HB2 PRO 37 1HB PRO 37 27.274 -2.524 19.031 291 HB3 PRO 37 2HB PRO 37 28.788 -3.351 19.421 292 HG2 PRO 37 1HG PRO 37 28.275 -1.185 17.338 293 HG3 PRO 37 2HG PRO 37 29.567 -1.262 18.540 294 HD2 PRO 37 1HD PRO 37 29.934 -2.085 15.947 295 HD3 PRO 37 2HD PRO 37 30.801 -2.854 17.336 296 H THR 38 H THR 38 25.572 -4.885 18.045 297 HA THR 38 HA THR 38 24.297 -3.629 15.693 298 HB THR 38 HB THR 38 23.162 -5.468 17.844 299 HG1 THR 38 HG1 THR 38 24.160 -5.846 15.213 300 HG21 THR 38 1HG2 THR 38 21.217 -5.654 16.344 301 HG22 THR 38 2HG2 THR 38 21.442 -3.974 16.888 302 HG23 THR 38 3HG2 THR 38 21.941 -4.453 15.249 303 H PHE 39 H PHE 39 23.035 -1.891 15.713 304 HA PHE 39 HA PHE 39 22.815 -0.473 18.320 305 HB2 PHE 39 1HB PHE 39 22.654 0.519 15.449 306 HB3 PHE 39 2HB PHE 39 22.337 1.532 16.848 307 HD1 PHE 39 HD1 PHE 39 24.939 -0.507 15.168 308 HD2 PHE 39 HD2 PHE 39 24.095 2.501 18.083 309 HE1 PHE 39 HE1 PHE 39 27.354 -0.010 15.352 310 HE2 PHE 39 HE2 PHE 39 26.509 3.003 18.267 311 HZ PHE 39 HZ PHE 39 28.139 1.745 16.902 312 H ARG 40 H ARG 40 20.946 -0.329 19.326 313 HA ARG 40 HA ARG 40 18.454 -0.774 17.753 314 HB2 ARG 40 1HB ARG 40 18.926 -0.850 20.753 315 HB3 ARG 40 2HB ARG 40 17.379 -1.123 19.964 316 HG2 ARG 40 1HG ARG 40 18.427 -3.079 18.769 317 HG3 ARG 40 2HG ARG 40 19.854 -2.851 19.809 318 HD2 ARG 40 1HD ARG 40 18.466 -3.137 21.777 319 HD3 ARG 40 2HD ARG 40 17.038 -3.361 20.740 320 HE ARG 40 HE ARG 40 17.833 -5.466 20.093 321 HH11 ARG 40 1HH1 ARG 40 20.055 -3.854 22.285 322 HH12 ARG 40 2HH1 ARG 40 20.948 -5.312 22.653 323 HH21 ARG 40 1HH2 ARG 40 19.000 -7.353 20.579 324 HH22 ARG 40 2HH2 ARG 40 20.352 -7.293 21.688 325 H PHE 41 H PHE 41 17.360 0.947 17.146 326 HA PHE 41 HA PHE 41 17.326 3.296 18.996 327 HB2 PHE 41 1HB PHE 41 17.536 3.170 15.987 328 HB3 PHE 41 2HB PHE 41 16.768 4.554 16.749 329 HD1 PHE 41 HD1 PHE 41 19.914 2.565 16.729 330 HD2 PHE 41 HD2 PHE 41 18.046 6.305 17.610 331 HE1 PHE 41 HE1 PHE 41 22.134 3.580 17.121 332 HE2 PHE 41 HE2 PHE 41 20.265 7.324 18.000 333 HZ PHE 41 HZ PHE 41 22.309 5.960 17.756 334 H ARG 42 H ARG 42 15.379 4.629 18.868 335 HA ARG 42 HA ARG 42 13.043 3.308 17.601 336 HB2 ARG 42 1HB ARG 42 11.662 3.549 19.562 337 HB3 ARG 42 2HB ARG 42 13.086 2.616 19.998 338 HG2 ARG 42 1HG ARG 42 14.089 4.626 21.017 339 HG3 ARG 42 2HG ARG 42 12.625 5.548 20.600 340 HD2 ARG 42 1HD ARG 42 11.304 3.952 21.931 341 HD3 ARG 42 2HD ARG 42 12.821 3.165 22.424 342 HE ARG 42 HE ARG 42 13.034 5.921 22.972 343 HH11 ARG 42 1HH1 ARG 42 11.216 3.113 24.043 344 HH12 ARG 42 2HH1 ARG 42 10.999 3.718 25.670 345 HH21 ARG 42 1HH2 ARG 42 12.746 6.696 25.087 346 HH22 ARG 42 2HH2 ARG 42 11.864 5.746 26.262 347 H VAL 43 H VAL 43 11.172 4.734 17.403 348 HA VAL 43 HA VAL 43 11.870 7.623 17.511 349 HB VAL 43 HB VAL 43 12.426 6.813 15.229 350 HG11 VAL 43 1HG1 VAL 43 10.660 5.994 13.747 351 HG12 VAL 43 2HG1 VAL 43 10.925 4.907 15.131 352 HG13 VAL 43 3HG1 VAL 43 9.516 5.995 15.109 353 HG21 VAL 43 1HG2 VAL 43 11.026 8.435 13.992 354 HG22 VAL 43 2HG2 VAL 43 9.900 8.511 15.368 355 HG23 VAL 43 3HG2 VAL 43 11.567 9.107 15.548 356 H SER 44 H SER 44 10.164 9.003 17.807 357 HA SER 44 HA SER 44 7.436 7.869 17.912 358 HB2 SER 44 1HB SER 44 7.082 8.488 20.224 359 HB3 SER 44 2HB SER 44 8.445 7.384 20.127 360 HG SER 44 HG SER 44 8.569 10.194 20.261 361 H PHE 45 H PHE 45 5.774 9.454 18.119 362 HA PHE 45 HA PHE 45 6.504 12.262 18.397 363 HB2 PHE 45 1HB PHE 45 5.751 13.047 16.260 364 HB3 PHE 45 2HB PHE 45 6.934 11.785 15.953 365 HD1 PHE 45 HD1 PHE 45 3.424 12.749 15.704 366 HD2 PHE 45 HD2 PHE 45 6.248 9.605 15.081 367 HE1 PHE 45 HE1 PHE 45 1.785 11.561 14.285 368 HE2 PHE 45 HE2 PHE 45 4.613 8.415 13.659 369 HZ PHE 45 HZ PHE 45 2.380 9.394 13.262 370 H LYS 46 H LYS 46 4.593 13.687 18.365 371 HA LYS 46 HA LYS 46 2.206 12.178 19.331 372 HB2 LYS 46 1HB LYS 46 3.272 13.674 20.999 373 HB3 LYS 46 2HB LYS 46 3.066 15.041 19.911 374 HG2 LYS 46 1HG LYS 46 0.627 14.824 20.059 375 HG3 LYS 46 2HG LYS 46 0.807 13.411 21.109 376 HD2 LYS 46 1HD LYS 46 1.981 14.796 22.785 377 HD3 LYS 46 2HD LYS 46 1.822 16.210 21.732 378 HE2 LYS 46 1HE LYS 46 -0.643 16.023 21.856 379 HE3 LYS 46 2HE LYS 46 -0.485 14.614 22.907 380 HZ1 LYS 46 1HZ LYS 46 -0.868 16.609 24.157 381 HZ2 LYS 46 2HZ LYS 46 0.627 16.009 24.512 382 HZ3 LYS 46 3HZ LYS 46 0.478 17.325 23.530 383 H ASP 47 H ASP 47 0.314 12.332 18.345 384 HA ASP 47 HA ASP 47 -0.523 14.683 16.917 385 HB2 ASP 47 1HB ASP 47 1.157 13.492 15.313 386 HB3 ASP 47 2HB ASP 47 -0.111 12.292 15.105 387 H LYS 48 H LYS 48 -2.672 14.517 16.067 388 HA LYS 48 HA LYS 48 -4.876 13.963 16.458 389 HB2 LYS 48 1HB LYS 48 -3.789 11.134 16.167 390 HB3 LYS 48 2HB LYS 48 -5.480 11.597 16.041 391 HG2 LYS 48 1HG LYS 48 -4.937 12.995 14.064 392 HG3 LYS 48 2HG LYS 48 -3.252 12.469 14.179 393 HD2 LYS 48 1HD LYS 48 -3.985 10.109 13.908 394 HD3 LYS 48 2HD LYS 48 -5.659 10.660 13.750 395 HE2 LYS 48 1HE LYS 48 -5.053 11.966 11.748 396 HE3 LYS 48 2HE LYS 48 -3.371 11.454 11.910 397 HZ1 LYS 48 1HZ LYS 48 -4.547 10.127 10.314 398 HZ2 LYS 48 2HZ LYS 48 -4.091 9.187 11.590 399 HZ3 LYS 48 3HZ LYS 48 -5.662 9.665 11.437 400 H ASP 49 H ASP 49 -3.250 14.364 18.785 401 HA ASP 49 HA ASP 49 -3.420 14.147 21.071 402 HB2 ASP 49 1HB ASP 49 -6.180 13.084 20.343 403 HB3 ASP 49 2HB ASP 49 -5.675 13.522 21.969 404 H THR 50 H THR 50 -2.255 11.953 19.558 405 HA THR 50 HA THR 50 -2.182 10.107 21.831 406 HB THR 50 HB THR 50 -4.016 9.127 20.477 407 HG1 THR 50 HG1 THR 50 -1.658 7.559 20.165 408 HG21 THR 50 1HG2 THR 50 -3.523 8.228 18.237 409 HG22 THR 50 2HG2 THR 50 -3.321 9.996 18.271 410 HG23 THR 50 3HG2 THR 50 -1.893 8.936 18.306 411 HA PRO 51 HA PRO 51 1.952 10.050 20.460 412 HB2 PRO 51 1HB PRO 51 2.988 8.145 22.110 413 HB3 PRO 51 2HB PRO 51 2.429 9.701 22.738 414 HG2 PRO 51 1HG PRO 51 0.962 7.029 22.673 415 HG3 PRO 51 2HG PRO 51 1.145 8.143 24.032 416 HD2 PRO 51 1HD PRO 51 -1.098 8.130 22.455 417 HD3 PRO 51 2HD PRO 51 -0.464 9.645 23.215 418 H PHE 52 H PHE 52 3.231 8.945 18.991 419 HA PHE 52 HA PHE 52 2.455 6.123 18.374 420 HB2 PHE 52 1HB PHE 52 3.558 8.232 16.474 421 HB3 PHE 52 2HB PHE 52 3.279 6.548 16.059 422 HD1 PHE 52 HD1 PHE 52 1.693 9.767 16.821 423 HD2 PHE 52 HD2 PHE 52 1.045 5.691 15.715 424 HE1 PHE 52 HE1 PHE 52 -0.635 10.309 16.191 425 HE2 PHE 52 HE2 PHE 52 -1.283 6.231 15.082 426 HZ PHE 52 HZ PHE 52 -2.123 8.541 15.322 427 H THR 53 H THR 53 4.028 4.611 18.220 428 HA THR 53 HA THR 53 6.835 5.524 18.623 429 HB THR 53 HB THR 53 7.194 3.794 20.338 430 HG1 THR 53 HG1 THR 53 5.305 2.706 21.161 431 HG21 THR 53 1HG2 THR 53 5.872 4.796 22.160 432 HG22 THR 53 2HG2 THR 53 6.508 6.052 21.071 433 HG23 THR 53 3HG2 THR 53 4.800 5.564 20.966 434 H ALA 54 H ALA 54 8.444 4.140 17.877 435 HA ALA 54 HA ALA 54 7.748 1.476 16.939 436 HB1 ALA 54 1HB ALA 54 8.489 1.831 14.606 437 HB2 ALA 54 2HB ALA 54 7.039 2.789 14.990 438 HB3 ALA 54 3HB ALA 54 8.633 3.575 14.926 439 H MET 55 H MET 55 9.576 0.199 16.351 440 HA MET 55 HA MET 55 12.154 1.369 17.293 441 HB2 MET 55 1HB MET 55 10.999 -1.331 18.091 442 HB3 MET 55 2HB MET 55 12.600 -0.746 18.517 443 HG2 MET 55 1HG MET 55 11.566 1.115 19.788 444 HG3 MET 55 2HG MET 55 9.968 0.479 19.390 445 HE1 MET 55 1HE MET 55 13.041 -1.441 22.245 446 HE2 MET 55 2HE MET 55 13.411 -1.171 20.524 447 HE3 MET 55 3HE MET 55 13.115 0.216 21.601 448 H GLY 56 H GLY 56 14.054 0.371 16.538 449 HA2 GLY 56 1HA GLY 56 13.879 -1.842 14.630 450 HA3 GLY 56 2HA GLY 56 14.253 -0.304 13.874 451 H ALA 57 H ALA 57 16.156 -2.030 13.500 452 HA ALA 57 HA ALA 57 18.385 -1.067 15.105 453 HB1 ALA 57 1HB ALA 57 19.133 -3.304 15.851 454 HB2 ALA 57 2HB ALA 57 17.567 -2.858 16.570 455 HB3 ALA 57 3HB ALA 57 17.628 -4.010 15.216 456 H GLY 58 H GLY 58 20.452 -1.696 14.283 457 HA2 GLY 58 1HA GLY 58 20.609 -3.251 11.814 458 HA3 GLY 58 2HA GLY 58 20.772 -1.526 11.543 459 H ARG 59 H ARG 59 22.937 -2.329 10.760 460 HA ARG 59 HA ARG 59 24.825 -3.235 12.801 461 HB2 ARG 59 1HB ARG 59 25.227 -2.431 9.899 462 HB3 ARG 59 2HB ARG 59 26.479 -3.101 10.935 463 HG2 ARG 59 1HG ARG 59 25.342 -5.206 11.088 464 HG3 ARG 59 2HG ARG 59 23.903 -4.545 10.273 465 HD2 ARG 59 1HD ARG 59 26.649 -4.811 9.069 466 HD3 ARG 59 2HD ARG 59 25.266 -5.893 8.782 467 HE ARG 59 HE ARG 59 24.429 -3.279 8.200 468 HH11 ARG 59 1HH1 ARG 59 26.736 -5.642 7.000 469 HH12 ARG 59 2HH1 ARG 59 26.668 -5.057 5.353 470 HH21 ARG 59 1HH2 ARG 59 24.350 -2.529 6.058 471 HH22 ARG 59 2HH2 ARG 59 25.318 -3.295 4.819 472 H SER 60 H SER 60 23.669 -0.232 11.658 473 HA SER 60 HA SER 60 25.775 1.128 13.252 474 HB2 SER 60 1HB SER 60 26.119 2.826 11.581 475 HB3 SER 60 2HB SER 60 26.412 1.259 10.843 476 HG SER 60 HG SER 60 24.976 1.753 9.487 477 H LYS 61 H LYS 61 25.186 3.449 13.673 478 HA LYS 61 HA LYS 61 22.599 3.668 14.810 479 HB2 LYS 61 1HB LYS 61 24.582 5.811 13.956 480 HB3 LYS 61 2HB LYS 61 23.114 6.152 14.861 481 HG2 LYS 61 1HG LYS 61 23.911 4.713 16.702 482 HG3 LYS 61 2HG LYS 61 25.391 4.379 15.792 483 HD2 LYS 61 1HD LYS 61 25.939 6.792 15.795 484 HD3 LYS 61 2HD LYS 61 24.458 7.126 16.704 485 HE2 LYS 61 1HE LYS 61 25.271 5.742 18.570 486 HE3 LYS 61 2HE LYS 61 26.732 5.349 17.661 487 HZ1 LYS 61 1HZ LYS 61 27.111 7.115 19.219 488 HZ2 LYS 61 2HZ LYS 61 27.302 7.679 17.681 489 HZ3 LYS 61 3HZ LYS 61 25.938 8.047 18.531 490 H LYS 62 H LYS 62 23.816 4.571 11.615 491 HA LYS 62 HA LYS 62 21.477 6.032 10.813 492 HB2 LYS 62 1HB LYS 62 23.682 6.222 9.676 493 HB3 LYS 62 2HB LYS 62 23.528 4.567 9.104 494 HG2 LYS 62 1HG LYS 62 21.609 5.160 7.738 495 HG3 LYS 62 2HG LYS 62 21.607 6.802 8.396 496 HD2 LYS 62 1HD LYS 62 23.868 7.178 7.450 497 HD3 LYS 62 2HD LYS 62 23.851 5.541 6.777 498 HE2 LYS 62 1HE LYS 62 21.889 6.108 5.402 499 HE3 LYS 62 2HE LYS 62 21.852 7.730 6.098 500 HZ1 LYS 62 1HZ LYS 62 22.941 7.705 3.976 501 HZ2 LYS 62 2HZ LYS 62 24.021 8.123 5.150 502 HZ3 LYS 62 3HZ LYS 62 24.055 6.608 4.499 503 H GLU 63 H GLU 63 22.511 2.658 10.247 504 HA GLU 63 HA GLU 63 20.224 1.954 8.686 505 HB2 GLU 63 1HB GLU 63 22.183 0.296 10.314 506 HB3 GLU 63 2HB GLU 63 20.895 -0.426 9.360 507 HG2 GLU 63 1HG GLU 63 21.838 0.736 7.342 508 HG3 GLU 63 2HG GLU 63 23.196 1.247 8.341 509 H ALA 64 H ALA 64 20.877 1.861 12.164 510 HA ALA 64 HA ALA 64 18.531 0.413 12.902 511 HB1 ALA 64 1HB ALA 64 18.910 1.368 15.152 512 HB2 ALA 64 2HB ALA 64 20.416 0.744 14.438 513 HB3 ALA 64 3HB ALA 64 20.103 2.494 14.464 514 H LYS 65 H LYS 65 19.159 3.899 12.544 515 HA LYS 65 HA LYS 65 16.536 4.739 13.331 516 HB2 LYS 65 1HB LYS 65 18.671 6.030 11.598 517 HB3 LYS 65 2HB LYS 65 17.150 6.826 11.975 518 HG2 LYS 65 1HG LYS 65 17.677 6.720 14.379 519 HG3 LYS 65 2HG LYS 65 19.202 5.902 14.008 520 HD2 LYS 65 1HD LYS 65 19.926 7.866 12.679 521 HD3 LYS 65 2HD LYS 65 18.405 8.684 13.069 522 HE2 LYS 65 1HE LYS 65 18.964 8.604 15.469 523 HE3 LYS 65 2HE LYS 65 20.468 7.755 15.102 524 HZ1 LYS 65 1HZ LYS 65 20.827 10.093 15.410 525 HZ2 LYS 65 2HZ LYS 65 21.180 9.676 13.854 526 HZ3 LYS 65 3HZ LYS 65 19.776 10.470 14.197 527 H HIS 66 H HIS 66 17.927 3.785 10.215 528 HA HIS 66 HA HIS 66 15.691 4.414 8.568 529 HB2 HIS 66 1HB HIS 66 17.795 2.236 8.365 530 HB3 HIS 66 2HB HIS 66 16.572 2.503 7.132 531 HD2 HIS 66 HD2 HIS 66 17.899 5.948 8.454 532 HE1 HIS 66 HE1 HIS 66 20.061 4.916 4.946 533 H ALA 67 H ALA 67 16.447 1.477 10.443 534 HA ALA 67 HA ALA 67 14.141 0.029 9.557 535 HB1 ALA 67 1HB ALA 67 14.616 -1.461 11.474 536 HB2 ALA 67 2HB ALA 67 16.089 -1.085 10.549 537 HB3 ALA 67 3HB ALA 67 15.780 -0.271 12.100 538 H ALA 68 H ALA 68 14.751 2.097 12.383 539 HA ALA 68 HA ALA 68 12.256 1.627 13.667 540 HB1 ALA 68 1HB ALA 68 12.711 3.743 14.865 541 HB2 ALA 68 2HB ALA 68 14.151 2.699 14.801 542 HB3 ALA 68 3HB ALA 68 14.021 4.102 13.716 543 H ALA 69 H ALA 69 13.252 4.129 11.328 544 HA ALA 69 HA ALA 69 10.733 5.463 11.251 545 HB1 ALA 69 1HB ALA 69 11.537 6.400 9.107 546 HB2 ALA 69 2HB ALA 69 12.790 6.469 10.369 547 HB3 ALA 69 3HB ALA 69 12.870 5.223 9.102 548 H ARG 70 H ARG 70 12.058 2.780 9.329 549 HA ARG 70 HA ARG 70 9.907 2.575 7.487 550 HB2 ARG 70 1HB ARG 70 12.067 1.414 7.208 551 HB3 ARG 70 2HB ARG 70 11.703 0.384 8.583 552 HG2 ARG 70 1HG ARG 70 9.909 -0.690 7.408 553 HG3 ARG 70 2HG ARG 70 10.025 0.475 6.066 554 HD2 ARG 70 1HD ARG 70 12.205 -0.333 5.499 555 HD3 ARG 70 2HD ARG 70 12.208 -1.416 6.910 556 HE ARG 70 HE ARG 70 9.931 -2.000 5.359 557 HH11 ARG 70 1HH1 ARG 70 13.432 -2.205 5.144 558 HH12 ARG 70 2HH1 ARG 70 13.411 -3.587 4.072 559 HH21 ARG 70 1HH2 ARG 70 9.917 -3.794 3.967 560 HH22 ARG 70 2HH2 ARG 70 11.421 -4.487 3.405 561 H ALA 71 H ALA 71 10.439 0.996 10.644 562 HA ALA 71 HA ALA 71 8.079 -0.576 10.634 563 HB1 ALA 71 1HB ALA 71 8.350 -0.636 13.092 564 HB2 ALA 71 2HB ALA 71 9.895 -0.908 12.252 565 HB3 ALA 71 3HB ALA 71 9.546 0.675 12.984 566 H LEU 72 H LEU 72 8.646 2.774 11.659 567 HA LEU 72 HA LEU 72 6.054 3.144 12.830 568 HB2 LEU 72 1HB LEU 72 8.016 4.587 13.300 569 HB3 LEU 72 2HB LEU 72 7.958 5.195 11.642 570 HG LEU 72 HG LEU 72 5.778 6.238 12.077 571 HD11 LEU 72 1HD1 LEU 72 4.839 6.236 14.345 572 HD12 LEU 72 2HD1 LEU 72 4.918 4.594 13.664 573 HD13 LEU 72 3HD1 LEU 72 6.116 5.116 14.873 574 HD21 LEU 72 1HD2 LEU 72 6.565 7.937 13.690 575 HD22 LEU 72 2HD2 LEU 72 7.868 6.841 14.210 576 HD23 LEU 72 3HD2 LEU 72 7.857 7.488 12.552 577 H ILE 73 H ILE 73 7.386 3.933 9.612 578 HA ILE 73 HA ILE 73 5.026 5.114 8.560 579 HB ILE 73 HB ILE 73 7.319 3.642 7.205 580 HG12 ILE 73 1HG1 ILE 73 7.928 5.713 8.334 581 HG13 ILE 73 2HG1 ILE 73 8.059 5.869 6.589 582 HG21 ILE 73 1HG2 ILE 73 6.490 4.608 5.098 583 HG22 ILE 73 2HG2 ILE 73 5.298 3.491 5.800 584 HG23 ILE 73 3HG2 ILE 73 5.064 5.248 5.947 585 HD11 ILE 73 1HD1 ILE 73 7.089 7.867 7.578 586 HD12 ILE 73 2HD1 ILE 73 5.908 7.056 6.521 587 HD13 ILE 73 3HD1 ILE 73 5.777 6.900 8.289 588 H ASP 74 H ASP 74 6.089 1.735 8.737 589 HA ASP 74 HA ASP 74 3.909 0.617 7.269 590 HB2 ASP 74 1HB ASP 74 6.010 -0.599 7.957 591 HB3 ASP 74 2HB ASP 74 5.407 -0.629 9.608 592 H LYS 75 H LYS 75 4.293 1.509 10.683 593 HA LYS 75 HA LYS 75 1.726 0.456 11.489 594 HB2 LYS 75 1HB LYS 75 3.621 2.472 12.746 595 HB3 LYS 75 2HB LYS 75 2.108 1.992 13.500 596 HG2 LYS 75 1HG LYS 75 2.884 -0.359 13.550 597 HG3 LYS 75 2HG LYS 75 4.416 0.146 12.821 598 HD2 LYS 75 1HD LYS 75 4.855 1.625 14.750 599 HD3 LYS 75 2HD LYS 75 3.315 1.143 15.476 600 HE2 LYS 75 1HE LYS 75 4.116 -1.224 15.516 601 HE3 LYS 75 2HE LYS 75 5.673 -0.684 14.882 602 HZ1 LYS 75 1HZ LYS 75 5.716 -0.907 17.256 603 HZ2 LYS 75 2HZ LYS 75 5.934 0.675 16.842 604 HZ3 LYS 75 3HZ LYS 75 4.480 0.170 17.435 605 H LEU 76 H LEU 76 2.835 3.500 10.136 606 HA LEU 76 HA LEU 76 0.440 4.947 10.972 607 HB2 LEU 76 1HB LEU 76 2.777 5.660 9.173 608 HB3 LEU 76 2HB LEU 76 1.438 6.763 9.505 609 HG LEU 76 HG LEU 76 3.324 5.629 11.602 610 HD11 LEU 76 1HD1 LEU 76 4.251 7.901 11.652 611 HD12 LEU 76 2HD1 LEU 76 4.460 7.140 10.057 612 HD13 LEU 76 3HD1 LEU 76 3.191 8.363 10.300 613 HD21 LEU 76 1HD2 LEU 76 2.253 7.318 13.054 614 HD22 LEU 76 2HD2 LEU 76 1.163 7.773 11.722 615 HD23 LEU 76 3HD2 LEU 76 1.057 6.149 12.443 616 H ILE 77 H ILE 77 1.846 4.044 7.795 617 HA ILE 77 HA ILE 77 -0.895 4.386 6.651 618 HB ILE 77 HB ILE 77 0.192 5.184 4.561 619 HG12 ILE 77 1HG1 ILE 77 2.770 5.188 6.145 620 HG13 ILE 77 2HG1 ILE 77 2.345 3.971 4.952 621 HG21 ILE 77 1HG2 ILE 77 0.888 7.393 5.397 622 HG22 ILE 77 2HG2 ILE 77 -0.570 6.820 6.240 623 HG23 ILE 77 3HG2 ILE 77 1.014 6.734 7.046 624 HD11 ILE 77 1HD1 ILE 77 3.817 5.656 4.000 625 HD12 ILE 77 2HD1 ILE 77 2.221 5.702 3.212 626 HD13 ILE 77 3HD1 ILE 77 2.654 6.935 4.420 627 H GLY 78 H GLY 78 1.815 2.357 7.090 628 HA2 GLY 78 1HA GLY 78 1.841 0.038 6.671 629 HA3 GLY 78 2HA GLY 78 0.422 0.207 5.654 630 H ALA 79 H ALA 79 3.476 2.025 5.427 631 HA ALA 79 HA ALA 79 3.905 0.766 2.754 632 HB1 ALA 79 1HB ALA 79 4.949 2.898 2.058 633 HB2 ALA 79 2HB ALA 79 3.253 3.123 2.547 634 HB3 ALA 79 3HB ALA 79 4.567 3.595 3.649 635 H GLN 80 H GLN 80 6.016 0.355 2.073 636 HA GLN 80 HA GLN 80 7.933 0.054 4.324 637 HB2 GLN 80 1HB GLN 80 8.034 -1.134 1.523 638 HB3 GLN 80 2HB GLN 80 9.124 -1.511 2.849 639 HG2 GLN 80 1HG GLN 80 6.149 -2.058 2.831 640 HG3 GLN 80 2HG GLN 80 7.439 -3.249 2.503 641 HE21 GLN 80 1HE2 GLN 80 6.177 -2.722 6.222 642 HE22 GLN 80 2HE2 GLN 80 5.309 -2.294 4.785 643 H LEU 81 H LEU 81 10.080 0.717 4.185 644 HA LEU 81 HA LEU 81 10.488 2.944 2.239 645 HB2 LEU 81 1HB LEU 81 11.806 2.500 4.941 646 HB3 LEU 81 2HB LEU 81 12.043 3.892 3.879 647 HG LEU 81 HG LEU 81 9.495 3.153 5.359 648 HD11 LEU 81 1HD1 LEU 81 9.932 5.252 6.554 649 HD12 LEU 81 2HD1 LEU 81 11.261 4.088 6.763 650 HD13 LEU 81 3HD1 LEU 81 11.445 5.457 5.640 651 HD21 LEU 81 1HD2 LEU 81 8.611 5.261 4.419 652 HD22 LEU 81 2HD2 LEU 81 10.106 5.467 3.475 653 HD23 LEU 81 3HD2 LEU 81 9.015 4.104 3.128 654 HA PRO 82 HA PRO 82 13.859 1.124 0.259 655 HB2 PRO 82 1HB PRO 82 15.512 3.520 1.155 656 HB3 PRO 82 2HB PRO 82 15.368 2.813 -0.460 657 HG2 PRO 82 1HG PRO 82 14.001 5.032 0.063 658 HG3 PRO 82 2HG PRO 82 13.200 3.732 -0.823 659 HD2 PRO 82 1HD PRO 82 12.975 4.472 2.119 660 HD3 PRO 82 2HD PRO 82 11.674 3.972 0.965 661 H GLU 83 H GLU 83 15.434 -0.332 0.777 662 HA GLU 83 HA GLU 83 16.486 -0.225 3.574 663 HB2 GLU 83 1HB GLU 83 14.909 -2.096 3.189 664 HB3 GLU 83 2HB GLU 83 15.885 -2.656 1.839 665 HG2 GLU 83 1HG GLU 83 17.748 -3.129 3.344 666 HG3 GLU 83 2HG GLU 83 16.831 -2.496 4.709 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 12.127 -7.559 0.584 2 H2 ASN 1 2H ASN 1 11.632 -6.462 1.688 3 H3 ASN 1 3H ASN 1 13.218 -6.594 1.324 4 HA ASN 1 HA ASN 1 11.570 -8.603 2.639 5 HB2 ASN 1 1HB ASN 1 13.306 -9.565 1.151 6 HB3 ASN 1 2HB ASN 1 14.535 -8.625 1.987 7 HD21 ASN 1 1HD2 ASN 1 14.508 -12.033 3.401 8 HD22 ASN 1 2HD2 ASN 1 14.768 -11.325 1.842 9 H GLY 2 H GLY 2 10.955 -7.558 4.424 10 HA2 GLY 2 1HA GLY 2 11.320 -7.059 6.692 11 HA3 GLY 2 2HA GLY 2 13.052 -7.101 6.419 12 H LEU 3 H LEU 3 13.847 -5.251 4.895 13 HA LEU 3 HA LEU 3 12.636 -2.731 5.922 14 HB2 LEU 3 1HB LEU 3 15.386 -3.242 4.732 15 HB3 LEU 3 2HB LEU 3 14.809 -1.700 5.371 16 HG LEU 3 HG LEU 3 15.239 -4.236 6.990 17 HD11 LEU 3 1HD1 LEU 3 17.121 -2.990 7.954 18 HD12 LEU 3 2HD1 LEU 3 17.322 -3.234 6.203 19 HD13 LEU 3 3HD1 LEU 3 16.810 -1.648 6.828 20 HD21 LEU 3 1HD2 LEU 3 14.817 -2.750 8.920 21 HD22 LEU 3 2HD2 LEU 3 14.472 -1.403 7.808 22 HD23 LEU 3 3HD2 LEU 3 13.399 -2.822 7.846 23 H ALA 4 H ALA 4 12.009 -1.093 4.601 24 HA ALA 4 HA ALA 4 11.304 -1.774 1.895 25 HB1 ALA 4 1HB ALA 4 10.541 0.575 1.749 26 HB2 ALA 4 2HB ALA 4 9.961 -0.216 3.234 27 HB3 ALA 4 3HB ALA 4 11.329 0.919 3.306 28 H MET 5 H MET 5 12.197 -1.293 -0.020 29 HA MET 5 HA MET 5 15.019 -0.627 -0.039 30 HB2 MET 5 1HB MET 5 12.990 -1.044 -2.264 31 HB3 MET 5 2HB MET 5 14.695 -0.730 -2.555 32 HG2 MET 5 1HG MET 5 13.524 -3.117 -1.101 33 HG3 MET 5 2HG MET 5 14.240 -3.101 -2.715 34 HE1 MET 5 1HE MET 5 18.017 -2.478 -1.997 35 HE2 MET 5 2HE MET 5 16.791 -2.880 -3.225 36 HE3 MET 5 3HE MET 5 16.777 -1.281 -2.441 37 H LYS 6 H LYS 6 12.028 1.114 -0.622 38 HA LYS 6 HA LYS 6 13.296 3.429 -1.809 39 HB2 LYS 6 1HB LYS 6 10.879 2.866 -2.104 40 HB3 LYS 6 2HB LYS 6 10.607 3.201 -0.400 41 HG2 LYS 6 1HG LYS 6 11.183 5.539 -0.708 42 HG3 LYS 6 2HG LYS 6 11.640 5.240 -2.391 43 HD2 LYS 6 1HD LYS 6 9.311 4.540 -2.890 44 HD3 LYS 6 2HD LYS 6 8.861 4.873 -1.211 45 HE2 LYS 6 1HE LYS 6 9.462 7.239 -1.495 46 HE3 LYS 6 2HE LYS 6 9.986 6.926 -3.152 47 HZ1 LYS 6 1HZ LYS 6 7.778 7.825 -3.080 48 HZ2 LYS 6 2HZ LYS 6 7.733 6.290 -3.682 49 HZ3 LYS 6 3HZ LYS 6 7.244 6.584 -2.135 50 H THR 7 H THR 7 14.146 5.201 -0.937 51 HA THR 7 HA THR 7 15.156 5.147 1.691 52 HB THR 7 HB THR 7 14.620 7.600 -0.041 53 HG1 THR 7 HG1 THR 7 16.725 5.698 0.086 54 HG21 THR 7 1HG2 THR 7 16.442 8.614 1.271 55 HG22 THR 7 2HG2 THR 7 15.084 8.149 2.323 56 HG23 THR 7 3HG2 THR 7 16.550 7.143 2.266 57 HA PRO 8 HA PRO 8 11.456 5.945 3.861 58 HB2 PRO 8 1HB PRO 8 12.532 5.924 6.408 59 HB3 PRO 8 2HB PRO 8 12.253 4.452 5.468 60 HG2 PRO 8 1HG PRO 8 14.820 6.068 5.771 61 HG3 PRO 8 2HG PRO 8 14.603 4.322 5.921 62 HD2 PRO 8 1HD PRO 8 15.521 5.396 3.613 63 HD3 PRO 8 2HD PRO 8 14.375 3.995 3.586 64 H VAL 9 H VAL 9 14.390 7.860 4.084 65 HA VAL 9 HA VAL 9 13.341 10.080 5.556 66 HB VAL 9 HB VAL 9 15.530 9.931 3.441 67 HG11 VAL 9 1HG1 VAL 9 16.289 12.092 4.301 68 HG12 VAL 9 2HG1 VAL 9 14.667 12.196 3.577 69 HG13 VAL 9 3HG1 VAL 9 14.853 12.179 5.347 70 HG21 VAL 9 1HG2 VAL 9 17.026 9.998 5.410 71 HG22 VAL 9 2HG2 VAL 9 15.608 10.017 6.485 72 HG23 VAL 9 3HG2 VAL 9 15.941 8.590 5.474 73 H SER 10 H SER 10 13.427 9.304 2.080 74 HA SER 10 HA SER 10 12.218 11.806 1.277 75 HB2 SER 10 1HB SER 10 12.077 10.814 -0.912 76 HB3 SER 10 2HB SER 10 13.625 10.376 -0.206 77 HG SER 10 HG SER 10 12.382 8.460 0.561 78 H ILE 11 H ILE 11 11.011 8.631 2.201 79 HA ILE 11 HA ILE 11 8.277 9.112 1.433 80 HB ILE 11 HB ILE 11 9.521 7.235 3.482 81 HG12 ILE 11 1HG1 ILE 11 8.275 6.627 0.796 82 HG13 ILE 11 2HG1 ILE 11 9.995 6.903 1.026 83 HG21 ILE 11 1HG2 ILE 11 7.328 6.119 3.548 84 HG22 ILE 11 2HG2 ILE 11 7.213 7.791 4.146 85 HG23 ILE 11 3HG2 ILE 11 6.645 7.391 2.508 86 HD11 ILE 11 1HD1 ILE 11 9.486 4.526 0.987 87 HD12 ILE 11 2HD1 ILE 11 10.104 5.008 2.586 88 HD13 ILE 11 3HD1 ILE 11 8.362 4.726 2.351 89 H LEU 12 H LEU 12 10.023 9.427 4.538 90 HA LEU 12 HA LEU 12 7.743 10.392 5.985 91 HB2 LEU 12 1HB LEU 12 10.730 10.588 6.474 92 HB3 LEU 12 2HB LEU 12 9.532 11.224 7.606 93 HG LEU 12 HG LEU 12 9.731 8.311 6.764 94 HD11 LEU 12 1HD1 LEU 12 10.688 7.963 8.998 95 HD12 LEU 12 2HD1 LEU 12 11.710 9.027 8.002 96 HD13 LEU 12 3HD1 LEU 12 10.678 9.721 9.275 97 HD21 LEU 12 1HD2 LEU 12 8.199 7.973 8.674 98 HD22 LEU 12 2HD2 LEU 12 8.153 9.732 8.948 99 HD23 LEU 12 3HD2 LEU 12 7.473 9.046 7.453 100 H GLN 13 H GLN 13 10.223 11.957 4.038 101 HA GLN 13 HA GLN 13 9.963 14.622 4.780 102 HB2 GLN 13 1HB GLN 13 11.507 13.824 3.022 103 HB3 GLN 13 2HB GLN 13 10.149 13.506 1.953 104 HG2 GLN 13 1HG GLN 13 9.597 15.897 1.923 105 HG3 GLN 13 2HG GLN 13 10.983 16.217 3.003 106 HE21 GLN 13 1HE2 GLN 13 12.381 17.028 -0.206 107 HE22 GLN 13 2HE2 GLN 13 11.391 17.690 1.052 108 H GLU 14 H GLU 14 7.861 12.819 2.522 109 HA GLU 14 HA GLU 14 6.009 15.086 2.347 110 HB2 GLU 14 1HB GLU 14 6.409 13.605 0.395 111 HB3 GLU 14 2HB GLU 14 5.777 12.235 1.298 112 HG2 GLU 14 1HG GLU 14 4.087 13.016 -0.195 113 HG3 GLU 14 2HG GLU 14 3.584 13.380 1.455 114 H LEU 15 H LEU 15 6.113 11.877 3.879 115 HA LEU 15 HA LEU 15 3.351 11.790 4.566 116 HB2 LEU 15 1HB LEU 15 4.749 9.790 4.528 117 HB3 LEU 15 2HB LEU 15 5.756 10.429 5.831 118 HG LEU 15 HG LEU 15 3.834 10.279 7.384 119 HD11 LEU 15 1HD1 LEU 15 1.794 9.117 6.667 120 HD12 LEU 15 2HD1 LEU 15 2.048 10.622 5.754 121 HD13 LEU 15 3HD1 LEU 15 2.416 9.052 5.002 122 HD21 LEU 15 1HD2 LEU 15 3.775 7.811 7.486 123 HD22 LEU 15 2HD2 LEU 15 4.426 7.726 5.831 124 HD23 LEU 15 3HD2 LEU 15 5.421 8.398 7.145 125 H LEU 16 H LEU 16 6.214 12.708 6.505 126 HA LEU 16 HA LEU 16 4.693 13.275 8.873 127 HB2 LEU 16 1HB LEU 16 7.453 14.183 7.986 128 HB3 LEU 16 2HB LEU 16 6.785 14.468 9.596 129 HG LEU 16 HG LEU 16 7.334 11.739 8.377 130 HD11 LEU 16 1HD1 LEU 16 9.161 11.656 10.015 131 HD12 LEU 16 2HD1 LEU 16 9.375 12.990 8.858 132 HD13 LEU 16 3HD1 LEU 16 8.795 13.326 10.507 133 HD21 LEU 16 1HD2 LEU 16 6.846 10.931 10.661 134 HD22 LEU 16 2HD2 LEU 16 6.447 12.591 11.164 135 HD23 LEU 16 3HD2 LEU 16 5.435 11.759 9.960 136 H SER 17 H SER 17 5.548 15.142 6.035 137 HA SER 17 HA SER 17 4.883 17.722 7.139 138 HB2 SER 17 1HB SER 17 4.980 16.699 4.284 139 HB3 SER 17 2HB SER 17 4.716 18.382 4.716 140 HG SER 17 HG SER 17 6.974 16.894 4.717 141 H ARG 18 H ARG 18 3.065 15.234 5.374 142 HA ARG 18 HA ARG 18 0.653 16.787 5.138 143 HB2 ARG 18 1HB ARG 18 1.189 13.804 5.038 144 HB3 ARG 18 2HB ARG 18 -0.406 14.497 4.788 145 HG2 ARG 18 1HG ARG 18 0.443 15.761 2.851 146 HG3 ARG 18 2HG ARG 18 2.049 15.035 3.099 147 HD2 ARG 18 1HD ARG 18 1.082 12.821 2.788 148 HD3 ARG 18 2HD ARG 18 -0.509 13.565 2.506 149 HE ARG 18 HE ARG 18 1.468 14.665 0.754 150 HH11 ARG 18 1HH1 ARG 18 -0.530 11.823 1.274 151 HH12 ARG 18 2HH1 ARG 18 -0.567 11.385 -0.419 152 HH21 ARG 18 1HH2 ARG 18 1.413 14.086 -1.441 153 HH22 ARG 18 2HH2 ARG 18 0.532 12.665 -1.957 154 H ARG 19 H ARG 19 1.901 14.509 7.554 155 HA ARG 19 HA ARG 19 -0.598 14.555 9.077 156 HB2 ARG 19 1HB ARG 19 2.141 13.402 9.702 157 HB3 ARG 19 2HB ARG 19 0.733 13.227 10.739 158 HG2 ARG 19 1HG ARG 19 1.178 12.068 7.990 159 HG3 ARG 19 2HG ARG 19 0.896 11.220 9.529 160 HD2 ARG 19 1HD ARG 19 -1.078 12.937 8.042 161 HD3 ARG 19 2HD ARG 19 -1.068 11.161 8.135 162 HE ARG 19 HE ARG 19 -1.180 11.783 10.730 163 HH11 ARG 19 1HH1 ARG 19 -2.954 13.107 8.002 164 HH12 ARG 19 2HH1 ARG 19 -4.374 13.487 8.949 165 HH21 ARG 19 1HH2 ARG 19 -3.030 12.281 11.949 166 HH22 ARG 19 2HH2 ARG 19 -4.419 13.020 11.183 167 H GLY 20 H GLY 20 2.517 16.179 9.114 168 HA2 GLY 20 1HA GLY 20 3.094 18.143 10.268 169 HA3 GLY 20 2HA GLY 20 1.556 18.099 11.109 170 H ILE 21 H ILE 21 4.126 15.619 10.868 171 HA ILE 21 HA ILE 21 4.142 15.545 13.854 172 HB ILE 21 HB ILE 21 4.613 13.321 11.826 173 HG12 ILE 21 1HG1 ILE 21 2.491 13.605 13.965 174 HG13 ILE 21 2HG1 ILE 21 2.252 14.016 12.273 175 HG21 ILE 21 1HG2 ILE 21 4.914 11.856 13.781 176 HG22 ILE 21 2HG2 ILE 21 6.170 13.114 13.726 177 HG23 ILE 21 3HG2 ILE 21 4.808 13.267 14.860 178 HD11 ILE 21 1HD1 ILE 21 1.375 11.804 12.771 179 HD12 ILE 21 2HD1 ILE 21 2.735 11.695 11.628 180 HD13 ILE 21 3HD1 ILE 21 2.976 11.278 13.341 181 H THR 22 H THR 22 5.961 15.982 14.894 182 HA THR 22 HA THR 22 8.521 15.747 13.370 183 HB THR 22 HB THR 22 7.914 17.396 15.862 184 HG1 THR 22 HG1 THR 22 8.191 18.003 13.100 185 HG21 THR 22 1HG2 THR 22 10.182 18.299 15.525 186 HG22 THR 22 2HG2 THR 22 10.233 16.544 15.814 187 HG23 THR 22 3HG2 THR 22 10.430 17.180 14.165 188 HA PRO 23 HA PRO 23 8.714 12.306 16.213 189 HB2 PRO 23 1HB PRO 23 10.285 10.678 14.674 190 HB3 PRO 23 2HB PRO 23 8.563 10.897 14.341 191 HG2 PRO 23 1HG PRO 23 10.950 12.287 13.051 192 HG3 PRO 23 2HG PRO 23 9.566 11.530 12.257 193 HD2 PRO 23 1HD PRO 23 9.664 14.224 12.695 194 HD3 PRO 23 2HD PRO 23 8.107 13.306 12.765 195 H GLY 24 H GLY 24 10.305 11.644 17.671 196 HA2 GLY 24 1HA GLY 24 12.992 12.938 17.377 197 HA3 GLY 24 2HA GLY 24 12.234 12.567 18.914 198 H TYR 25 H TYR 25 14.713 11.662 17.125 199 HA TYR 25 HA TYR 25 14.333 8.730 17.454 200 HB2 TYR 25 1HB TYR 25 16.421 10.346 15.940 201 HB3 TYR 25 2HB TYR 25 16.470 8.596 16.110 202 HD1 TYR 25 HD1 TYR 25 14.340 11.386 14.848 203 HD2 TYR 25 HD2 TYR 25 15.314 7.213 14.629 204 HE1 TYR 25 HE1 TYR 25 12.889 11.151 12.861 205 HE2 TYR 25 HE2 TYR 25 13.863 6.978 12.642 206 HH TYR 25 HH TYR 25 12.100 9.767 11.312 207 H GLU 26 H GLU 26 15.566 7.481 18.746 208 HA GLU 26 HA GLU 26 17.778 8.731 20.254 209 HB2 GLU 26 1HB GLU 26 15.718 9.210 21.581 210 HB3 GLU 26 2HB GLU 26 15.368 7.488 21.642 211 HG2 GLU 26 1HG GLU 26 17.439 7.093 22.891 212 HG3 GLU 26 2HG GLU 26 17.835 8.808 22.797 213 H LEU 27 H LEU 27 19.385 7.358 20.650 214 HA LEU 27 HA LEU 27 19.201 4.585 19.850 215 HB2 LEU 27 1HB LEU 27 21.305 5.816 19.691 216 HB3 LEU 27 2HB LEU 27 21.308 6.099 21.434 217 HG LEU 27 HG LEU 27 21.521 3.620 21.779 218 HD11 LEU 27 1HD1 LEU 27 22.167 2.244 19.851 219 HD12 LEU 27 2HD1 LEU 27 20.525 2.904 19.667 220 HD13 LEU 27 3HD1 LEU 27 21.881 3.626 18.768 221 HD21 LEU 27 1HD2 LEU 27 23.899 3.554 21.109 222 HD22 LEU 27 2HD2 LEU 27 23.639 4.956 20.043 223 HD23 LEU 27 3HD2 LEU 27 23.474 5.136 21.806 224 H VAL 28 H VAL 28 18.392 2.949 20.938 225 HA VAL 28 HA VAL 28 17.688 3.300 23.768 226 HB VAL 28 HB VAL 28 17.246 0.982 21.837 227 HG11 VAL 28 1HG1 VAL 28 15.683 0.118 23.510 228 HG12 VAL 28 2HG1 VAL 28 17.352 0.181 24.126 229 HG13 VAL 28 3HG1 VAL 28 16.169 1.412 24.631 230 HG21 VAL 28 1HG2 VAL 28 14.906 1.788 21.847 231 HG22 VAL 28 2HG2 VAL 28 15.376 3.134 22.913 232 HG23 VAL 28 3HG2 VAL 28 16.017 3.045 21.255 233 H GLN 29 H GLN 29 19.506 0.863 21.857 234 HA GLN 29 HA GLN 29 21.493 0.555 23.951 235 HB2 GLN 29 1HB GLN 29 20.975 -1.755 24.565 236 HB3 GLN 29 2HB GLN 29 19.624 -0.707 24.972 237 HG2 GLN 29 1HG GLN 29 18.511 -1.419 22.843 238 HG3 GLN 29 2HG GLN 29 19.831 -2.604 22.631 239 HE21 GLN 29 1HE2 GLN 29 17.704 -4.874 24.240 240 HE22 GLN 29 2HE2 GLN 29 18.439 -4.379 22.751 241 H ILE 30 H ILE 30 23.119 -1.060 23.431 242 HA ILE 30 HA ILE 30 23.154 -1.673 20.506 243 HB ILE 30 HB ILE 30 25.497 -1.192 22.397 244 HG12 ILE 30 1HG1 ILE 30 24.548 0.462 20.048 245 HG13 ILE 30 2HG1 ILE 30 24.173 0.824 21.726 246 HG21 ILE 30 1HG2 ILE 30 26.880 -1.382 20.369 247 HG22 ILE 30 2HG2 ILE 30 26.005 -2.897 20.690 248 HG23 ILE 30 3HG2 ILE 30 25.434 -1.794 19.416 249 HD11 ILE 30 1HD1 ILE 30 26.045 2.160 20.938 250 HD12 ILE 30 2HD1 ILE 30 26.568 1.048 22.226 251 HD13 ILE 30 3HD1 ILE 30 26.948 0.683 20.526 252 H GLU 31 H GLU 31 22.970 -3.722 19.978 253 HA GLU 31 HA GLU 31 23.415 -5.740 22.124 254 HB2 GLU 31 1HB GLU 31 21.814 -5.958 19.541 255 HB3 GLU 31 2HB GLU 31 21.937 -7.199 20.780 256 HG2 GLU 31 1HG GLU 31 20.796 -5.772 22.384 257 HG3 GLU 31 2HG GLU 31 20.761 -4.447 21.223 258 H GLY 32 H GLY 32 23.809 -8.028 20.994 259 HA2 GLY 32 1HA GLY 32 25.098 -9.370 19.576 260 HA3 GLY 32 2HA GLY 32 25.495 -7.956 18.619 261 H ALA 33 H ALA 33 27.634 -7.694 18.536 262 HA ALA 33 HA ALA 33 29.196 -8.173 21.032 263 HB1 ALA 33 1HB ALA 33 31.003 -9.121 19.633 264 HB2 ALA 33 2HB ALA 33 29.502 -10.069 19.503 265 HB3 ALA 33 3HB ALA 33 29.967 -8.955 18.197 266 H ILE 34 H ILE 34 31.573 -7.343 20.616 267 HA ILE 34 HA ILE 34 31.366 -4.495 20.185 268 HB ILE 34 HB ILE 34 33.753 -6.340 20.593 269 HG12 ILE 34 1HG1 ILE 34 32.538 -4.283 22.447 270 HG13 ILE 34 2HG1 ILE 34 32.109 -5.986 22.469 271 HG21 ILE 34 1HG2 ILE 34 35.078 -4.291 20.923 272 HG22 ILE 34 2HG2 ILE 34 34.436 -4.378 19.266 273 HG23 ILE 34 3HG2 ILE 34 33.672 -3.303 20.460 274 HD11 ILE 34 1HD1 ILE 34 33.763 -5.476 24.176 275 HD12 ILE 34 2HD1 ILE 34 34.443 -6.581 22.957 276 HD13 ILE 34 3HD1 ILE 34 34.877 -4.855 22.936 277 H HIS 35 H HIS 35 32.797 -7.185 18.335 278 HA HIS 35 HA HIS 35 33.637 -5.399 16.165 279 HB2 HIS 35 1HB HIS 35 34.413 -7.412 15.066 280 HB3 HIS 35 2HB HIS 35 34.926 -7.440 16.747 281 HD2 HIS 35 HD2 HIS 35 33.088 -9.668 14.271 282 HE1 HIS 35 HE1 HIS 35 32.255 -11.225 18.150 283 H GLU 36 H GLU 36 30.756 -6.989 17.074 284 HA GLU 36 HA GLU 36 29.577 -6.198 14.468 285 HB2 GLU 36 1HB GLU 36 30.102 -8.667 14.401 286 HB3 GLU 36 2HB GLU 36 29.030 -8.892 15.776 287 HG2 GLU 36 1HG GLU 36 27.133 -8.086 14.468 288 HG3 GLU 36 2HG GLU 36 28.191 -7.765 13.096 289 HA PRO 37 HA PRO 37 27.100 -5.009 18.128 290 HB2 PRO 37 1HB PRO 37 27.056 -2.304 17.763 291 HB3 PRO 37 2HB PRO 37 28.435 -3.113 18.517 292 HG2 PRO 37 1HG PRO 37 28.090 -2.224 15.621 293 HG3 PRO 37 2HG PRO 37 29.468 -1.951 16.692 294 HD2 PRO 37 1HD PRO 37 29.427 -4.007 14.883 295 HD3 PRO 37 2HD PRO 37 30.266 -4.151 16.479 296 H THR 38 H THR 38 24.886 -4.568 18.140 297 HA THR 38 HA THR 38 23.682 -3.706 15.542 298 HB THR 38 HB THR 38 22.488 -5.595 17.618 299 HG1 THR 38 HG1 THR 38 23.827 -5.924 15.182 300 HG21 THR 38 1HG2 THR 38 20.630 -5.810 16.014 301 HG22 THR 38 2HG2 THR 38 20.791 -4.130 16.579 302 HG23 THR 38 3HG2 THR 38 21.387 -4.588 14.966 303 H PHE 39 H PHE 39 22.737 -1.805 15.591 304 HA PHE 39 HA PHE 39 22.417 -0.529 18.242 305 HB2 PHE 39 1HB PHE 39 22.444 0.596 15.415 306 HB3 PHE 39 2HB PHE 39 22.163 1.570 16.850 307 HD1 PHE 39 HD1 PHE 39 24.646 -0.565 15.123 308 HD2 PHE 39 HD2 PHE 39 23.949 2.292 18.223 309 HE1 PHE 39 HE1 PHE 39 27.085 -0.281 15.408 310 HE2 PHE 39 HE2 PHE 39 26.388 2.580 18.509 311 HZ PHE 39 HZ PHE 39 27.956 1.291 17.101 312 H ARG 40 H ARG 40 20.528 -0.370 19.197 313 HA ARG 40 HA ARG 40 18.072 -0.632 17.532 314 HB2 ARG 40 1HB ARG 40 18.329 -2.229 19.402 315 HB3 ARG 40 2HB ARG 40 18.447 -0.892 20.536 316 HG2 ARG 40 1HG ARG 40 16.145 -0.208 19.962 317 HG3 ARG 40 2HG ARG 40 16.030 -1.596 18.853 318 HD2 ARG 40 1HD ARG 40 16.631 -1.802 21.793 319 HD3 ARG 40 2HD ARG 40 15.016 -1.976 21.069 320 HE ARG 40 HE ARG 40 17.234 -3.873 20.957 321 HH11 ARG 40 1HH1 ARG 40 14.110 -2.909 19.670 322 HH12 ARG 40 2HH1 ARG 40 13.744 -4.496 19.031 323 HH21 ARG 40 1HH2 ARG 40 16.747 -5.928 20.123 324 HH22 ARG 40 2HH2 ARG 40 15.235 -6.205 19.287 325 H PHE 41 H PHE 41 16.999 1.133 17.025 326 HA PHE 41 HA PHE 41 17.209 3.481 18.862 327 HB2 PHE 41 1HB PHE 41 16.861 3.265 15.864 328 HB3 PHE 41 2HB PHE 41 16.348 4.710 16.720 329 HD1 PHE 41 HD1 PHE 41 19.296 2.502 16.169 330 HD2 PHE 41 HD2 PHE 41 17.879 6.386 17.247 331 HE1 PHE 41 HE1 PHE 41 21.611 3.366 16.094 332 HE2 PHE 41 HE2 PHE 41 20.193 7.254 17.170 333 HZ PHE 41 HZ PHE 41 22.060 5.742 16.595 334 H ARG 42 H ARG 42 15.338 4.762 19.225 335 HA ARG 42 HA ARG 42 12.765 3.472 18.433 336 HB2 ARG 42 1HB ARG 42 11.799 3.984 20.578 337 HB3 ARG 42 2HB ARG 42 13.271 3.062 20.845 338 HG2 ARG 42 1HG ARG 42 14.474 5.108 21.440 339 HG3 ARG 42 2HG ARG 42 13.007 6.067 21.128 340 HD2 ARG 42 1HD ARG 42 11.841 4.794 22.861 341 HD3 ARG 42 2HD ARG 42 13.348 3.911 23.199 342 HE ARG 42 HE ARG 42 13.901 6.664 23.355 343 HH11 ARG 42 1HH1 ARG 42 12.005 4.233 25.039 344 HH12 ARG 42 2HH1 ARG 42 12.110 5.042 26.586 345 HH21 ARG 42 1HH2 ARG 42 14.030 7.706 25.369 346 HH22 ARG 42 2HH2 ARG 42 13.256 7.008 26.774 347 H VAL 43 H VAL 43 10.945 4.906 18.296 348 HA VAL 43 HA VAL 43 11.772 7.736 17.795 349 HB VAL 43 HB VAL 43 9.761 6.085 16.206 350 HG11 VAL 43 1HG1 VAL 43 9.683 8.018 14.708 351 HG12 VAL 43 2HG1 VAL 43 9.125 8.423 16.349 352 HG13 VAL 43 3HG1 VAL 43 10.749 8.916 15.814 353 HG21 VAL 43 1HG2 VAL 43 11.418 6.274 14.379 354 HG22 VAL 43 2HG2 VAL 43 12.534 7.115 15.481 355 HG23 VAL 43 3HG2 VAL 43 12.100 5.415 15.779 356 H SER 44 H SER 44 10.643 9.241 18.820 357 HA SER 44 HA SER 44 8.052 8.433 20.062 358 HB2 SER 44 1HB SER 44 9.700 9.182 21.677 359 HB3 SER 44 2HB SER 44 10.016 10.641 20.751 360 HG SER 44 HG SER 44 7.411 10.414 21.191 361 H PHE 45 H PHE 45 6.243 9.178 19.236 362 HA PHE 45 HA PHE 45 6.094 11.898 18.163 363 HB2 PHE 45 1HB PHE 45 5.317 11.265 15.941 364 HB3 PHE 45 2HB PHE 45 6.928 10.619 16.205 365 HD1 PHE 45 HD1 PHE 45 3.546 9.866 15.337 366 HD2 PHE 45 HD2 PHE 45 7.139 8.169 16.906 367 HE1 PHE 45 HE1 PHE 45 2.734 7.606 14.749 368 HE2 PHE 45 HE2 PHE 45 6.332 5.908 16.317 369 HZ PHE 45 HZ PHE 45 4.127 5.627 15.240 370 H LYS 46 H LYS 46 3.795 12.231 17.185 371 HA LYS 46 HA LYS 46 1.791 10.678 18.719 372 HB2 LYS 46 1HB LYS 46 2.548 12.534 20.212 373 HB3 LYS 46 2HB LYS 46 2.093 13.698 18.976 374 HG2 LYS 46 1HG LYS 46 -0.248 13.074 19.173 375 HG3 LYS 46 2HG LYS 46 0.160 11.776 20.304 376 HD2 LYS 46 1HD LYS 46 1.064 13.461 21.891 377 HD3 LYS 46 2HD LYS 46 0.613 14.749 20.764 378 HE2 LYS 46 1HE LYS 46 -1.760 14.063 20.934 379 HE3 LYS 46 2HE LYS 46 -1.310 12.782 22.063 380 HZ1 LYS 46 1HZ LYS 46 -2.095 14.725 23.201 381 HZ2 LYS 46 2HZ LYS 46 -0.507 14.470 23.567 382 HZ3 LYS 46 3HZ LYS 46 -0.929 15.666 22.513 383 H ASP 47 H ASP 47 -0.172 10.564 17.799 384 HA ASP 47 HA ASP 47 -0.973 12.498 15.750 385 HB2 ASP 47 1HB ASP 47 0.521 10.679 14.634 386 HB3 ASP 47 2HB ASP 47 -0.834 9.592 14.904 387 H LYS 48 H LYS 48 -3.169 12.284 15.095 388 HA LYS 48 HA LYS 48 -5.383 12.118 15.722 389 HB2 LYS 48 1HB LYS 48 -4.556 9.244 16.298 390 HB3 LYS 48 2HB LYS 48 -6.210 9.810 16.109 391 HG2 LYS 48 1HG LYS 48 -5.701 10.470 13.770 392 HG3 LYS 48 2HG LYS 48 -4.061 9.835 13.970 393 HD2 LYS 48 1HD LYS 48 -5.006 7.595 14.486 394 HD3 LYS 48 2HD LYS 48 -6.636 8.239 14.240 395 HE2 LYS 48 1HE LYS 48 -6.078 8.793 11.904 396 HE3 LYS 48 2HE LYS 48 -4.436 8.191 12.141 397 HZ1 LYS 48 1HZ LYS 48 -5.830 6.561 11.098 398 HZ2 LYS 48 2HZ LYS 48 -5.357 6.020 12.583 399 HZ3 LYS 48 3HZ LYS 48 -6.892 6.582 12.360 400 H ASP 49 H ASP 49 -3.638 13.105 17.735 401 HA ASP 49 HA ASP 49 -3.738 13.684 19.960 402 HB2 ASP 49 1HB ASP 49 -6.507 12.429 19.779 403 HB3 ASP 49 2HB ASP 49 -5.929 13.391 21.132 404 H THR 50 H THR 50 -2.826 10.959 19.062 405 HA THR 50 HA THR 50 -2.769 9.808 21.805 406 HB THR 50 HB THR 50 -3.215 8.195 19.256 407 HG1 THR 50 HG1 THR 50 -5.138 9.100 19.974 408 HG21 THR 50 1HG2 THR 50 -3.322 6.262 20.780 409 HG22 THR 50 2HG2 THR 50 -1.729 7.051 20.865 410 HG23 THR 50 3HG2 THR 50 -2.925 7.318 22.155 411 HA PRO 51 HA PRO 51 1.512 9.921 20.857 412 HB2 PRO 51 1HB PRO 51 2.432 8.762 23.173 413 HB3 PRO 51 2HB PRO 51 1.822 10.421 23.123 414 HG2 PRO 51 1HG PRO 51 0.360 7.871 23.934 415 HG3 PRO 51 2HG PRO 51 0.417 9.417 24.787 416 HD2 PRO 51 1HD PRO 51 -1.684 8.774 23.181 417 HD3 PRO 51 2HD PRO 51 -1.071 10.473 23.290 418 H PHE 52 H PHE 52 2.832 8.527 19.793 419 HA PHE 52 HA PHE 52 2.381 5.600 20.166 420 HB2 PHE 52 1HB PHE 52 2.714 7.078 17.525 421 HB3 PHE 52 2HB PHE 52 2.752 5.331 17.698 422 HD1 PHE 52 HD1 PHE 52 0.715 8.115 17.030 423 HD2 PHE 52 HD2 PHE 52 0.657 4.274 18.899 424 HE1 PHE 52 HE1 PHE 52 -1.745 8.040 16.796 425 HE2 PHE 52 HE2 PHE 52 -1.803 4.195 18.665 426 HZ PHE 52 HZ PHE 52 -3.004 6.080 17.615 427 H THR 53 H THR 53 4.169 4.246 19.543 428 HA THR 53 HA THR 53 6.773 5.695 19.382 429 HB THR 53 HB THR 53 7.796 4.009 20.867 430 HG1 THR 53 HG1 THR 53 6.697 2.300 21.516 431 HG21 THR 53 1HG2 THR 53 6.737 4.705 22.979 432 HG22 THR 53 2HG2 THR 53 6.899 6.083 21.865 433 HG23 THR 53 3HG2 THR 53 5.319 5.293 22.080 434 H ALA 54 H ALA 54 8.465 4.611 18.317 435 HA ALA 54 HA ALA 54 7.774 2.021 17.051 436 HB1 ALA 54 1HB ALA 54 8.711 2.775 14.890 437 HB2 ALA 54 2HB ALA 54 7.279 3.724 15.354 438 HB3 ALA 54 3HB ALA 54 8.906 4.413 15.555 439 H MET 55 H MET 55 9.738 1.023 15.989 440 HA MET 55 HA MET 55 12.281 1.760 17.267 441 HB2 MET 55 1HB MET 55 12.562 -0.396 18.397 442 HB3 MET 55 2HB MET 55 11.158 0.450 19.031 443 HG2 MET 55 1HG MET 55 9.724 -0.969 17.511 444 HG3 MET 55 2HG MET 55 11.173 -1.898 17.120 445 HE1 MET 55 1HE MET 55 9.080 -1.744 21.234 446 HE2 MET 55 2HE MET 55 9.803 -0.294 20.495 447 HE3 MET 55 3HE MET 55 8.417 -1.094 19.715 448 H GLY 56 H GLY 56 14.029 1.101 16.169 449 HA2 GLY 56 1HA GLY 56 13.667 -1.017 14.095 450 HA3 GLY 56 2HA GLY 56 14.348 0.530 13.629 451 H ALA 57 H ALA 57 15.992 -1.362 13.053 452 HA ALA 57 HA ALA 57 18.183 -1.070 14.961 453 HB1 ALA 57 1HB ALA 57 18.580 -3.498 15.211 454 HB2 ALA 57 2HB ALA 57 17.022 -3.008 15.919 455 HB3 ALA 57 3HB ALA 57 17.064 -3.827 14.340 456 H GLY 58 H GLY 58 20.207 -1.508 14.104 457 HA2 GLY 58 1HA GLY 58 20.453 -2.632 11.406 458 HA3 GLY 58 2HA GLY 58 20.730 -0.902 11.477 459 H ARG 59 H ARG 59 22.874 -1.902 10.643 460 HA ARG 59 HA ARG 59 24.525 -3.160 12.721 461 HB2 ARG 59 1HB ARG 59 25.123 -2.360 9.854 462 HB3 ARG 59 2HB ARG 59 26.268 -3.168 10.914 463 HG2 ARG 59 1HG ARG 59 24.958 -5.153 10.982 464 HG3 ARG 59 2HG ARG 59 23.572 -4.342 10.214 465 HD2 ARG 59 1HD ARG 59 26.261 -4.746 8.928 466 HD3 ARG 59 2HD ARG 59 24.844 -5.795 8.693 467 HE ARG 59 HE ARG 59 24.025 -3.180 8.138 468 HH11 ARG 59 1HH1 ARG 59 26.308 -5.529 6.870 469 HH12 ARG 59 2HH1 ARG 59 26.209 -4.926 5.231 470 HH21 ARG 59 1HH2 ARG 59 23.905 -2.406 6.007 471 HH22 ARG 59 2HH2 ARG 59 24.850 -3.159 4.741 472 H SER 60 H SER 60 23.862 -0.002 11.556 473 HA SER 60 HA SER 60 26.058 1.031 13.278 474 HB2 SER 60 1HB SER 60 26.657 2.717 11.659 475 HB3 SER 60 2HB SER 60 26.790 1.137 10.902 476 HG SER 60 HG SER 60 25.407 1.739 9.535 477 H LYS 61 H LYS 61 25.766 3.403 13.735 478 HA LYS 61 HA LYS 61 23.202 3.839 14.884 479 HB2 LYS 61 1HB LYS 61 25.483 5.744 14.244 480 HB3 LYS 61 2HB LYS 61 24.031 6.247 15.099 481 HG2 LYS 61 1HG LYS 61 24.510 4.623 16.890 482 HG3 LYS 61 2HG LYS 61 25.964 4.103 16.027 483 HD2 LYS 61 1HD LYS 61 26.873 6.404 16.180 484 HD3 LYS 61 2HD LYS 61 25.424 6.912 17.060 485 HE2 LYS 61 1HE LYS 61 25.940 5.322 18.865 486 HE3 LYS 61 2HE LYS 61 27.360 4.756 17.983 487 HZ1 LYS 61 1HZ LYS 61 27.940 6.357 19.653 488 HZ2 LYS 61 2HZ LYS 61 28.278 6.966 18.158 489 HZ3 LYS 61 3HZ LYS 61 26.951 7.495 18.984 490 H LYS 62 H LYS 62 24.634 4.988 11.840 491 HA LYS 62 HA LYS 62 22.387 6.650 11.136 492 HB2 LYS 62 1HB LYS 62 24.673 6.914 10.170 493 HB3 LYS 62 2HB LYS 62 24.489 5.376 9.338 494 HG2 LYS 62 1HG LYS 62 22.629 6.278 8.022 495 HG3 LYS 62 2HG LYS 62 22.742 7.814 8.891 496 HD2 LYS 62 1HD LYS 62 25.146 7.980 8.089 497 HD3 LYS 62 2HD LYS 62 24.824 6.576 7.060 498 HE2 LYS 62 1HE LYS 62 23.257 9.179 6.976 499 HE3 LYS 62 2HE LYS 62 24.561 8.751 5.866 500 HZ1 LYS 62 1HZ LYS 62 22.419 8.265 4.938 501 HZ2 LYS 62 2HZ LYS 62 23.261 6.863 5.157 502 HZ3 LYS 62 3HZ LYS 62 22.042 7.264 6.193 503 H GLU 63 H GLU 63 23.401 3.386 10.076 504 HA GLU 63 HA GLU 63 21.199 2.947 8.339 505 HB2 GLU 63 1HB GLU 63 23.261 1.560 8.362 506 HB3 GLU 63 2HB GLU 63 22.809 0.910 9.932 507 HG2 GLU 63 1HG GLU 63 20.860 -0.168 8.988 508 HG3 GLU 63 2HG GLU 63 21.146 0.594 7.425 509 H ALA 64 H ALA 64 21.637 2.168 11.790 510 HA ALA 64 HA ALA 64 19.133 0.837 12.100 511 HB1 ALA 64 1HB ALA 64 19.469 1.228 14.520 512 HB2 ALA 64 2HB ALA 64 20.951 0.630 13.736 513 HB3 ALA 64 3HB ALA 64 20.794 2.354 14.145 514 H LYS 65 H LYS 65 20.081 4.241 12.432 515 HA LYS 65 HA LYS 65 17.577 5.229 13.348 516 HB2 LYS 65 1HB LYS 65 19.687 6.555 13.289 517 HB3 LYS 65 2HB LYS 65 19.605 6.596 11.533 518 HG2 LYS 65 1HG LYS 65 17.519 7.875 11.630 519 HG3 LYS 65 2HG LYS 65 17.528 7.783 13.397 520 HD2 LYS 65 1HD LYS 65 19.662 9.020 13.462 521 HD3 LYS 65 2HD LYS 65 19.683 9.090 11.693 522 HE2 LYS 65 1HE LYS 65 17.552 10.363 11.731 523 HE3 LYS 65 2HE LYS 65 17.562 10.316 13.496 524 HZ1 LYS 65 1HZ LYS 65 18.446 12.369 12.663 525 HZ2 LYS 65 2HZ LYS 65 19.628 11.537 13.459 526 HZ3 LYS 65 3HZ LYS 65 19.617 11.582 11.810 527 H HIS 66 H HIS 66 18.783 4.570 10.072 528 HA HIS 66 HA HIS 66 16.448 5.561 8.702 529 HB2 HIS 66 1HB HIS 66 18.564 3.534 7.900 530 HB3 HIS 66 2HB HIS 66 17.285 4.083 6.827 531 HD2 HIS 66 HD2 HIS 66 20.904 4.967 7.221 532 HE1 HIS 66 HE1 HIS 66 18.949 8.653 6.419 533 H ALA 67 H ALA 67 17.349 2.383 10.006 534 HA ALA 67 HA ALA 67 15.006 1.018 9.107 535 HB1 ALA 67 1HB ALA 67 15.539 -0.615 10.887 536 HB2 ALA 67 2HB ALA 67 16.983 -0.170 9.946 537 HB3 ALA 67 3HB ALA 67 16.727 0.523 11.564 538 H ALA 68 H ALA 68 15.705 2.903 12.035 539 HA ALA 68 HA ALA 68 13.149 2.485 13.257 540 HB1 ALA 68 1HB ALA 68 13.708 4.491 14.591 541 HB2 ALA 68 2HB ALA 68 15.075 3.355 14.506 542 HB3 ALA 68 3HB ALA 68 15.075 4.824 13.503 543 H ALA 69 H ALA 69 14.345 4.845 10.903 544 HA ALA 69 HA ALA 69 11.976 6.424 10.777 545 HB1 ALA 69 1HB ALA 69 12.802 7.101 8.546 546 HB2 ALA 69 2HB ALA 69 14.096 7.137 9.766 547 HB3 ALA 69 3HB ALA 69 14.006 5.793 8.604 548 H ARG 70 H ARG 70 12.944 3.457 9.075 549 HA ARG 70 HA ARG 70 10.586 3.234 7.474 550 HB2 ARG 70 1HB ARG 70 12.520 1.165 8.554 551 HB3 ARG 70 2HB ARG 70 11.178 0.752 7.498 552 HG2 ARG 70 1HG ARG 70 12.091 2.100 5.710 553 HG3 ARG 70 2HG ARG 70 13.383 2.699 6.778 554 HD2 ARG 70 1HD ARG 70 14.338 0.537 6.949 555 HD3 ARG 70 2HD ARG 70 12.957 -0.199 6.103 556 HE ARG 70 HE ARG 70 13.765 0.606 4.072 557 HH11 ARG 70 1HH1 ARG 70 15.735 1.741 6.750 558 HH12 ARG 70 2HH1 ARG 70 17.050 2.267 5.724 559 HH21 ARG 70 1HH2 ARG 70 15.479 1.292 2.750 560 HH22 ARG 70 2HH2 ARG 70 16.906 2.013 3.459 561 H ALA 71 H ALA 71 11.386 2.110 10.753 562 HA ALA 71 HA ALA 71 8.943 0.713 11.217 563 HB1 ALA 71 1HB ALA 71 9.503 0.967 13.613 564 HB2 ALA 71 2HB ALA 71 10.912 0.448 12.658 565 HB3 ALA 71 3HB ALA 71 10.769 2.141 13.185 566 H LEU 72 H LEU 72 9.878 4.105 11.748 567 HA LEU 72 HA LEU 72 7.451 5.008 12.885 568 HB2 LEU 72 1HB LEU 72 9.402 6.434 12.798 569 HB3 LEU 72 2HB LEU 72 9.423 6.386 11.033 570 HG LEU 72 HG LEU 72 7.310 7.668 10.973 571 HD11 LEU 72 1HD1 LEU 72 6.425 8.638 13.047 572 HD12 LEU 72 2HD1 LEU 72 6.357 6.860 13.071 573 HD13 LEU 72 3HD1 LEU 72 7.620 7.716 13.988 574 HD21 LEU 72 1HD2 LEU 72 8.266 9.795 11.793 575 HD22 LEU 72 2HD2 LEU 72 9.489 8.890 12.717 576 HD23 LEU 72 3HD2 LEU 72 9.493 8.829 10.938 577 H ILE 73 H ILE 73 8.422 4.790 9.450 578 HA ILE 73 HA ILE 73 6.018 5.754 8.327 579 HB ILE 73 HB ILE 73 8.029 3.720 7.291 580 HG12 ILE 73 1HG1 ILE 73 7.576 6.582 6.441 581 HG13 ILE 73 2HG1 ILE 73 8.704 6.131 7.709 582 HG21 ILE 73 1HG2 ILE 73 6.999 4.056 5.080 583 HG22 ILE 73 2HG2 ILE 73 5.842 3.333 6.221 584 HG23 ILE 73 3HG2 ILE 73 5.731 5.062 5.819 585 HD11 ILE 73 1HD1 ILE 73 9.845 6.415 5.581 586 HD12 ILE 73 2HD1 ILE 73 9.944 4.722 6.123 587 HD13 ILE 73 3HD1 ILE 73 8.802 5.181 4.837 588 H ASP 74 H ASP 74 6.960 2.398 9.121 589 HA ASP 74 HA ASP 74 4.515 1.243 8.174 590 HB2 ASP 74 1HB ASP 74 6.639 0.252 10.109 591 HB3 ASP 74 2HB ASP 74 5.248 -0.721 9.649 592 H LYS 75 H LYS 75 5.539 2.511 11.310 593 HA LYS 75 HA LYS 75 3.299 1.480 12.789 594 HB2 LYS 75 1HB LYS 75 5.453 2.279 13.806 595 HB3 LYS 75 2HB LYS 75 5.006 3.928 13.390 596 HG2 LYS 75 1HG LYS 75 4.504 3.557 15.705 597 HG3 LYS 75 2HG LYS 75 2.976 3.700 14.826 598 HD2 LYS 75 1HD LYS 75 2.739 1.254 14.789 599 HD3 LYS 75 2HD LYS 75 4.302 1.075 15.601 600 HE2 LYS 75 1HE LYS 75 3.434 2.272 17.570 601 HE3 LYS 75 2HE LYS 75 1.883 2.507 16.761 602 HZ1 LYS 75 1HZ LYS 75 1.826 0.648 18.254 603 HZ2 LYS 75 2HZ LYS 75 1.617 0.122 16.705 604 HZ3 LYS 75 3HZ LYS 75 3.066 -0.097 17.462 605 H LEU 76 H LEU 76 3.908 4.556 11.115 606 HA LEU 76 HA LEU 76 1.410 5.768 11.820 607 HB2 LEU 76 1HB LEU 76 3.306 6.173 9.488 608 HB3 LEU 76 2HB LEU 76 1.851 7.147 9.720 609 HG LEU 76 HG LEU 76 4.103 6.961 11.750 610 HD11 LEU 76 1HD1 LEU 76 4.779 9.165 10.906 611 HD12 LEU 76 2HD1 LEU 76 4.914 7.911 9.651 612 HD13 LEU 76 3HD1 LEU 76 3.549 9.053 9.626 613 HD21 LEU 76 1HD2 LEU 76 3.002 8.974 12.668 614 HD22 LEU 76 2HD2 LEU 76 1.745 8.861 11.413 615 HD23 LEU 76 3HD2 LEU 76 1.886 7.587 12.649 616 H ILE 77 H ILE 77 2.414 3.647 9.160 617 HA ILE 77 HA ILE 77 -0.110 3.732 7.778 618 HB ILE 77 HB ILE 77 2.170 1.719 7.766 619 HG12 ILE 77 1HG1 ILE 77 1.281 3.669 5.635 620 HG13 ILE 77 2HG1 ILE 77 2.513 4.037 6.832 621 HG21 ILE 77 1HG2 ILE 77 1.084 0.726 5.793 622 HG22 ILE 77 2HG2 ILE 77 0.058 0.564 7.237 623 HG23 ILE 77 3HG2 ILE 77 -0.314 1.803 6.015 624 HD11 ILE 77 1HD1 ILE 77 3.514 3.321 4.735 625 HD12 ILE 77 2HD1 ILE 77 3.873 2.154 6.031 626 HD13 ILE 77 3HD1 ILE 77 2.626 1.782 4.817 627 H GLY 78 H GLY 78 1.254 1.610 10.287 628 HA2 GLY 78 1HA GLY 78 -0.260 0.455 11.843 629 HA3 GLY 78 2HA GLY 78 -1.436 0.324 10.550 630 H ALA 79 H ALA 79 1.772 -0.146 9.480 631 HA ALA 79 HA ALA 79 1.218 -3.013 9.089 632 HB1 ALA 79 1HB ALA 79 3.209 -2.952 7.622 633 HB2 ALA 79 2HB ALA 79 2.025 -1.700 7.179 634 HB3 ALA 79 3HB ALA 79 3.489 -1.258 8.087 635 H GLN 80 H GLN 80 3.182 -4.506 9.253 636 HA GLN 80 HA GLN 80 4.025 -4.523 12.014 637 HB2 GLN 80 1HB GLN 80 3.653 -6.627 10.861 638 HB3 GLN 80 2HB GLN 80 4.827 -6.217 9.619 639 HG2 GLN 80 1HG GLN 80 5.820 -7.797 11.094 640 HG3 GLN 80 2HG GLN 80 6.603 -6.218 11.383 641 HE21 GLN 80 1HE2 GLN 80 6.040 -6.397 14.788 642 HE22 GLN 80 2HE2 GLN 80 7.047 -5.931 13.457 643 H LEU 81 H LEU 81 5.725 -3.661 12.954 644 HA LEU 81 HA LEU 81 7.598 -2.084 11.386 645 HB2 LEU 81 1HB LEU 81 7.205 -2.680 14.314 646 HB3 LEU 81 2HB LEU 81 8.704 -1.922 13.766 647 HG LEU 81 HG LEU 81 7.396 -0.043 12.816 648 HD11 LEU 81 1HD1 LEU 81 5.004 0.137 13.334 649 HD12 LEU 81 2HD1 LEU 81 5.350 -1.273 12.305 650 HD13 LEU 81 3HD1 LEU 81 5.035 -1.495 14.043 651 HD21 LEU 81 1HD2 LEU 81 6.720 0.918 14.991 652 HD22 LEU 81 2HD2 LEU 81 6.775 -0.703 15.725 653 HD23 LEU 81 3HD2 LEU 81 8.271 0.054 15.127 654 HA PRO 82 HA PRO 82 10.619 -5.195 10.874 655 HB2 PRO 82 1HB PRO 82 12.750 -3.660 10.117 656 HB3 PRO 82 2HB PRO 82 11.344 -3.879 9.068 657 HG2 PRO 82 1HG PRO 82 11.980 -1.569 10.953 658 HG3 PRO 82 2HG PRO 82 11.459 -1.493 9.267 659 HD2 PRO 82 1HD PRO 82 9.689 -1.210 11.332 660 HD3 PRO 82 2HD PRO 82 9.219 -2.004 9.776 661 H GLU 83 H GLU 83 12.672 -5.931 11.786 662 HA GLU 83 HA GLU 83 13.949 -4.422 13.914 663 HB2 GLU 83 1HB GLU 83 11.900 -5.259 15.081 664 HB3 GLU 83 2HB GLU 83 12.365 -6.907 14.683 665 HG2 GLU 83 1HG GLU 83 14.405 -6.676 16.016 666 HG3 GLU 83 2HG GLU 83 13.988 -5.004 16.385 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 18.382 -3.742 2.707 2 H2 ASN 1 2H ASN 1 18.363 -3.437 1.103 3 H3 ASN 1 3H ASN 1 19.785 -3.522 1.902 4 HA ASN 1 HA ASN 1 17.710 -1.511 2.266 5 HB2 ASN 1 1HB ASN 1 20.368 -1.963 3.649 6 HB3 ASN 1 2HB ASN 1 19.534 -0.414 3.671 7 HD21 ASN 1 1HD2 ASN 1 18.657 -2.452 6.680 8 HD22 ASN 1 2HD2 ASN 1 20.148 -1.967 5.944 9 H GLY 2 H GLY 2 20.917 -2.370 1.019 10 HA2 GLY 2 1HA GLY 2 21.532 0.265 0.028 11 HA3 GLY 2 2HA GLY 2 22.354 -1.223 -0.404 12 H LEU 3 H LEU 3 19.496 -2.280 -1.096 13 HA LEU 3 HA LEU 3 19.685 -1.478 -3.923 14 HB2 LEU 3 1HB LEU 3 17.937 -3.523 -2.509 15 HB3 LEU 3 2HB LEU 3 17.972 -3.261 -4.256 16 HG LEU 3 HG LEU 3 20.315 -4.227 -2.577 17 HD11 LEU 3 1HD1 LEU 3 19.902 -6.377 -3.688 18 HD12 LEU 3 2HD1 LEU 3 18.510 -5.866 -2.705 19 HD13 LEU 3 3HD1 LEU 3 18.461 -5.693 -4.476 20 HD21 LEU 3 1HD2 LEU 3 21.354 -4.645 -4.781 21 HD22 LEU 3 2HD2 LEU 3 19.934 -3.937 -5.586 22 HD23 LEU 3 3HD2 LEU 3 20.979 -2.918 -4.567 23 H ALA 4 H ALA 4 18.136 -0.318 -1.225 24 HA ALA 4 HA ALA 4 15.532 0.223 -2.378 25 HB1 ALA 4 1HB ALA 4 15.217 1.660 -0.389 26 HB2 ALA 4 2HB ALA 4 15.835 0.050 0.051 27 HB3 ALA 4 3HB ALA 4 16.934 1.448 0.025 28 H MET 5 H MET 5 14.661 2.229 -2.989 29 HA MET 5 HA MET 5 16.701 4.052 -4.155 30 HB2 MET 5 1HB MET 5 13.732 3.701 -4.715 31 HB3 MET 5 2HB MET 5 14.728 4.944 -5.458 32 HG2 MET 5 1HG MET 5 15.099 1.949 -5.748 33 HG3 MET 5 2HG MET 5 14.428 3.048 -6.956 34 HE1 MET 5 1HE MET 5 17.491 5.168 -8.050 35 HE2 MET 5 2HE MET 5 15.795 4.735 -8.378 36 HE3 MET 5 3HE MET 5 16.222 5.589 -6.875 37 H LYS 6 H LYS 6 13.769 4.061 -2.138 38 HA LYS 6 HA LYS 6 14.570 6.790 -1.219 39 HB2 LYS 6 1HB LYS 6 11.843 5.438 -1.189 40 HB3 LYS 6 2HB LYS 6 12.189 6.989 -0.438 41 HG2 LYS 6 1HG LYS 6 12.802 7.914 -2.656 42 HG3 LYS 6 2HG LYS 6 12.402 6.358 -3.396 43 HD2 LYS 6 1HD LYS 6 10.080 6.558 -2.554 44 HD3 LYS 6 2HD LYS 6 10.483 8.120 -1.826 45 HE2 LYS 6 1HE LYS 6 11.030 9.025 -4.060 46 HE3 LYS 6 2HE LYS 6 10.640 7.466 -4.792 47 HZ1 LYS 6 1HZ LYS 6 8.816 8.995 -4.949 48 HZ2 LYS 6 2HZ LYS 6 8.392 7.719 -3.994 49 HZ3 LYS 6 3HZ LYS 6 8.755 9.175 -3.311 50 H THR 7 H THR 7 14.667 7.263 0.949 51 HA THR 7 HA THR 7 14.916 4.880 2.707 52 HB THR 7 HB THR 7 16.143 6.350 4.242 53 HG1 THR 7 HG1 THR 7 16.552 8.550 2.978 54 HG21 THR 7 1HG2 THR 7 18.071 6.893 2.806 55 HG22 THR 7 2HG2 THR 7 17.396 5.299 2.390 56 HG23 THR 7 3HG2 THR 7 17.051 6.708 1.361 57 HA PRO 8 HA PRO 8 11.224 5.761 4.773 58 HB2 PRO 8 1HB PRO 8 11.717 4.619 7.235 59 HB3 PRO 8 2HB PRO 8 11.452 3.660 5.773 60 HG2 PRO 8 1HG PRO 8 14.087 4.499 7.056 61 HG3 PRO 8 2HG PRO 8 13.607 2.896 6.489 62 HD2 PRO 8 1HD PRO 8 15.139 4.516 4.942 63 HD3 PRO 8 2HD PRO 8 13.869 3.457 4.207 64 H VAL 9 H VAL 9 14.299 6.860 6.005 65 HA VAL 9 HA VAL 9 13.255 8.564 8.100 66 HB VAL 9 HB VAL 9 15.894 8.586 6.576 67 HG11 VAL 9 1HG1 VAL 9 16.724 10.069 8.337 68 HG12 VAL 9 2HG1 VAL 9 15.409 10.817 7.400 69 HG13 VAL 9 3HG1 VAL 9 15.086 10.167 9.025 70 HG21 VAL 9 1HG2 VAL 9 16.768 7.611 8.676 71 HG22 VAL 9 2HG2 VAL 9 15.127 7.632 9.367 72 HG23 VAL 9 3HG2 VAL 9 15.493 6.588 7.973 73 H SER 10 H SER 10 14.379 9.139 4.750 74 HA SER 10 HA SER 10 13.724 11.936 4.759 75 HB2 SER 10 1HB SER 10 14.048 11.817 2.359 76 HB3 SER 10 2HB SER 10 15.302 10.887 3.165 77 HG SER 10 HG SER 10 14.399 9.066 2.558 78 H ILE 11 H ILE 11 11.928 9.006 3.909 79 HA ILE 11 HA ILE 11 9.608 10.358 2.889 80 HB ILE 11 HB ILE 11 10.002 7.601 4.113 81 HG12 ILE 11 1HG1 ILE 11 9.426 8.394 1.255 82 HG13 ILE 11 2HG1 ILE 11 11.051 8.185 1.889 83 HG21 ILE 11 1HG2 ILE 11 7.747 7.071 3.282 84 HG22 ILE 11 2HG2 ILE 11 7.688 8.348 4.518 85 HG23 ILE 11 3HG2 ILE 11 7.522 8.769 2.798 86 HD11 ILE 11 1HD1 ILE 11 10.297 6.184 0.730 87 HD12 ILE 11 2HD1 ILE 11 10.541 5.850 2.462 88 HD13 ILE 11 3HD1 ILE 11 8.895 6.062 1.818 89 H LEU 12 H LEU 12 10.462 9.116 6.126 90 HA LEU 12 HA LEU 12 8.115 9.860 7.485 91 HB2 LEU 12 1HB LEU 12 9.940 8.534 8.483 92 HB3 LEU 12 2HB LEU 12 10.988 9.955 8.474 93 HG LEU 12 HG LEU 12 9.412 11.070 10.069 94 HD11 LEU 12 1HD1 LEU 12 7.725 9.686 11.192 95 HD12 LEU 12 2HD1 LEU 12 7.390 9.848 9.452 96 HD13 LEU 12 3HD1 LEU 12 8.092 8.341 10.087 97 HD21 LEU 12 1HD2 LEU 12 10.099 9.699 12.008 98 HD22 LEU 12 2HD2 LEU 12 10.501 8.353 10.914 99 HD23 LEU 12 3HD2 LEU 12 11.431 9.868 10.839 100 H GLN 13 H GLN 13 11.051 11.790 6.846 101 HA GLN 13 HA GLN 13 10.243 14.138 8.196 102 HB2 GLN 13 1HB GLN 13 12.003 13.740 5.750 103 HB3 GLN 13 2HB GLN 13 11.782 15.303 6.523 104 HG2 GLN 13 1HG GLN 13 12.764 14.510 8.571 105 HG3 GLN 13 2HG GLN 13 12.841 12.844 7.930 106 HE21 GLN 13 1HE2 GLN 13 16.178 14.548 7.652 107 HE22 GLN 13 2HE2 GLN 13 15.064 14.294 8.954 108 H GLU 14 H GLU 14 9.687 13.135 4.820 109 HA GLU 14 HA GLU 14 8.320 15.507 4.023 110 HB2 GLU 14 1HB GLU 14 9.184 13.873 2.401 111 HB3 GLU 14 2HB GLU 14 8.070 12.650 2.997 112 HG2 GLU 14 1HG GLU 14 7.198 13.506 0.960 113 HG3 GLU 14 2HG GLU 14 6.169 14.088 2.267 114 H LEU 15 H LEU 15 7.123 12.417 5.341 115 HA LEU 15 HA LEU 15 4.355 13.020 5.056 116 HB2 LEU 15 1HB LEU 15 5.847 11.196 6.968 117 HB3 LEU 15 2HB LEU 15 4.084 11.274 6.884 118 HG LEU 15 HG LEU 15 5.877 10.498 4.557 119 HD11 LEU 15 1HD1 LEU 15 5.131 8.207 5.026 120 HD12 LEU 15 2HD1 LEU 15 6.053 8.890 6.386 121 HD13 LEU 15 3HD1 LEU 15 4.279 8.782 6.478 122 HD21 LEU 15 1HD2 LEU 15 3.744 9.720 3.581 123 HD22 LEU 15 2HD2 LEU 15 2.870 10.316 5.014 124 HD23 LEU 15 3HD2 LEU 15 3.690 11.465 3.929 125 H LEU 16 H LEU 16 6.629 13.555 7.745 126 HA LEU 16 HA LEU 16 4.483 14.521 9.483 127 HB2 LEU 16 1HB LEU 16 7.501 14.433 9.827 128 HB3 LEU 16 2HB LEU 16 6.367 14.955 11.077 129 HG LEU 16 HG LEU 16 6.544 12.171 9.871 130 HD11 LEU 16 1HD1 LEU 16 7.334 11.552 12.111 131 HD12 LEU 16 2HD1 LEU 16 8.415 12.734 11.336 132 HD13 LEU 16 3HD1 LEU 16 7.281 13.261 12.603 133 HD21 LEU 16 1HD2 LEU 16 4.876 11.594 11.602 134 HD22 LEU 16 2HD2 LEU 16 4.787 13.304 12.087 135 HD23 LEU 16 3HD2 LEU 16 4.231 12.808 10.471 136 H SER 17 H SER 17 6.826 15.876 7.290 137 HA SER 17 HA SER 17 6.602 18.605 8.166 138 HB2 SER 17 1HB SER 17 7.204 17.385 5.454 139 HB3 SER 17 2HB SER 17 7.292 19.107 5.791 140 HG SER 17 HG SER 17 8.742 17.027 7.005 141 H ARG 18 H ARG 18 4.717 16.580 5.939 142 HA ARG 18 HA ARG 18 2.951 18.704 5.107 143 HB2 ARG 18 1HB ARG 18 2.647 15.684 5.087 144 HB3 ARG 18 2HB ARG 18 1.468 16.786 4.393 145 HG2 ARG 18 1HG ARG 18 3.114 17.600 2.791 146 HG3 ARG 18 2HG ARG 18 4.360 16.561 3.523 147 HD2 ARG 18 1HD ARG 18 2.918 14.607 2.997 148 HD3 ARG 18 2HD ARG 18 1.858 15.712 2.093 149 HE ARG 18 HE ARG 18 4.587 15.967 1.257 150 HH11 ARG 18 1HH1 ARG 18 1.748 13.918 0.970 151 HH12 ARG 18 2HH1 ARG 18 2.207 13.286 -0.596 152 HH21 ARG 18 1HH2 ARG 18 5.173 15.140 -0.775 153 HH22 ARG 18 2HH2 ARG 18 4.146 13.977 -1.584 154 H ARG 19 H ARG 19 2.913 16.311 7.718 155 HA ARG 19 HA ARG 19 0.222 17.043 8.576 156 HB2 ARG 19 1HB ARG 19 2.403 15.393 9.895 157 HB3 ARG 19 2HB ARG 19 0.799 15.625 10.574 158 HG2 ARG 19 1HG ARG 19 1.422 14.295 7.925 159 HG3 ARG 19 2HG ARG 19 0.979 13.480 9.444 160 HD2 ARG 19 1HD ARG 19 -0.746 15.475 7.997 161 HD3 ARG 19 2HD ARG 19 -0.881 13.707 7.851 162 HE ARG 19 HE ARG 19 -1.068 14.032 10.513 163 HH11 ARG 19 1HH1 ARG 19 -2.649 15.702 7.857 164 HH12 ARG 19 2HH1 ARG 19 -4.102 16.042 8.771 165 HH21 ARG 19 1HH2 ARG 19 -2.959 14.480 11.689 166 HH22 ARG 19 2HH2 ARG 19 -4.278 15.351 10.939 167 H GLY 20 H GLY 20 3.522 17.970 9.351 168 HA2 GLY 20 1HA GLY 20 4.187 19.951 10.446 169 HA3 GLY 20 2HA GLY 20 2.526 20.246 10.923 170 H ILE 21 H ILE 21 4.306 17.217 11.419 171 HA ILE 21 HA ILE 21 4.023 17.658 14.360 172 HB ILE 21 HB ILE 21 4.054 15.026 12.822 173 HG12 ILE 21 1HG1 ILE 21 2.001 16.280 12.434 174 HG13 ILE 21 2HG1 ILE 21 1.706 14.851 13.412 175 HG21 ILE 21 1HG2 ILE 21 3.465 14.031 14.995 176 HG22 ILE 21 2HG2 ILE 21 5.044 14.846 15.072 177 HG23 ILE 21 3HG2 ILE 21 3.606 15.628 15.769 178 HD11 ILE 21 1HD1 ILE 21 0.442 16.756 14.239 179 HD12 ILE 21 2HD1 ILE 21 1.647 16.236 15.441 180 HD13 ILE 21 3HD1 ILE 21 1.945 17.684 14.450 181 H THR 22 H THR 22 5.752 17.554 15.633 182 HA THR 22 HA THR 22 8.359 16.993 14.332 183 HB THR 22 HB THR 22 7.711 18.263 17.027 184 HG1 THR 22 HG1 THR 22 8.998 19.645 14.974 185 HG21 THR 22 1HG2 THR 22 10.107 18.834 17.079 186 HG22 THR 22 2HG2 THR 22 9.874 17.070 17.046 187 HG23 THR 22 3HG2 THR 22 10.360 17.931 15.567 188 HA PRO 23 HA PRO 23 8.191 13.121 16.454 189 HB2 PRO 23 1HB PRO 23 10.108 11.827 15.037 190 HB3 PRO 23 2HB PRO 23 8.542 12.205 14.308 191 HG2 PRO 23 1HG PRO 23 11.179 13.716 14.062 192 HG3 PRO 23 2HG PRO 23 10.078 13.223 12.772 193 HD2 PRO 23 1HD PRO 23 10.032 15.747 13.865 194 HD3 PRO 23 2HD PRO 23 8.548 14.942 13.212 195 H GLY 24 H GLY 24 9.800 11.784 17.681 196 HA2 GLY 24 1HA GLY 24 12.405 13.131 18.213 197 HA3 GLY 24 2HA GLY 24 11.366 12.751 19.574 198 H TYR 25 H TYR 25 14.070 11.742 18.721 199 HA TYR 25 HA TYR 25 13.485 8.872 19.081 200 HB2 TYR 25 1HB TYR 25 14.841 8.153 17.198 201 HB3 TYR 25 2HB TYR 25 13.557 9.201 16.611 202 HD1 TYR 25 HD1 TYR 25 17.166 8.856 17.156 203 HD2 TYR 25 HD2 TYR 25 14.032 11.424 15.742 204 HE1 TYR 25 HE1 TYR 25 18.842 10.284 16.034 205 HE2 TYR 25 HE2 TYR 25 15.709 12.852 14.620 206 HH TYR 25 HH TYR 25 17.861 13.197 14.223 207 H GLU 26 H GLU 26 15.432 7.598 19.538 208 HA GLU 26 HA GLU 26 17.866 8.987 20.279 209 HB2 GLU 26 1HB GLU 26 17.710 8.668 22.704 210 HB3 GLU 26 2HB GLU 26 16.419 9.722 22.144 211 HG2 GLU 26 1HG GLU 26 14.875 7.754 22.177 212 HG3 GLU 26 2HG GLU 26 16.177 6.800 22.884 213 H LEU 27 H LEU 27 19.454 7.560 21.281 214 HA LEU 27 HA LEU 27 19.322 4.872 20.222 215 HB2 LEU 27 1HB LEU 27 21.447 6.066 20.398 216 HB3 LEU 27 2HB LEU 27 21.265 6.193 22.150 217 HG LEU 27 HG LEU 27 21.378 3.668 22.258 218 HD11 LEU 27 1HD1 LEU 27 22.296 2.506 20.300 219 HD12 LEU 27 2HD1 LEU 27 20.701 3.215 19.956 220 HD13 LEU 27 3HD1 LEU 27 22.177 4.007 19.353 221 HD21 LEU 27 1HD2 LEU 27 23.829 3.630 21.939 222 HD22 LEU 27 2HD2 LEU 27 23.733 5.148 21.014 223 HD23 LEU 27 3HD2 LEU 27 23.311 5.132 22.743 224 H VAL 28 H VAL 28 18.348 3.181 21.065 225 HA VAL 28 HA VAL 28 17.410 3.176 23.821 226 HB VAL 28 HB VAL 28 17.457 0.994 21.692 227 HG11 VAL 28 1HG1 VAL 28 15.848 -0.183 23.110 228 HG12 VAL 28 2HG1 VAL 28 17.424 0.014 23.913 229 HG13 VAL 28 3HG1 VAL 28 16.055 1.055 24.371 230 HG21 VAL 28 1HG2 VAL 28 15.049 1.526 21.499 231 HG22 VAL 28 2HG2 VAL 28 15.239 2.818 22.708 232 HG23 VAL 28 3HG2 VAL 28 16.053 2.948 21.131 233 H GLN 29 H GLN 29 19.803 1.265 21.962 234 HA GLN 29 HA GLN 29 21.649 1.127 24.143 235 HB2 GLN 29 1HB GLN 29 21.444 -1.239 24.750 236 HB3 GLN 29 2HB GLN 29 19.955 -0.383 25.122 237 HG2 GLN 29 1HG GLN 29 19.010 -1.237 22.957 238 HG3 GLN 29 2HG GLN 29 20.475 -2.249 22.806 239 HE21 GLN 29 1HE2 GLN 29 18.505 -4.724 24.344 240 HE22 GLN 29 2HE2 GLN 29 19.168 -4.137 22.855 241 H ILE 30 H ILE 30 23.355 -0.621 23.731 242 HA ILE 30 HA ILE 30 23.678 -0.944 20.776 243 HB ILE 30 HB ILE 30 25.836 -0.474 22.878 244 HG12 ILE 30 1HG1 ILE 30 24.943 1.288 20.586 245 HG13 ILE 30 2HG1 ILE 30 24.464 1.513 22.261 246 HG21 ILE 30 1HG2 ILE 30 27.380 -0.438 20.962 247 HG22 ILE 30 2HG2 ILE 30 26.579 -2.020 21.107 248 HG23 ILE 30 3HG2 ILE 30 26.041 -0.861 19.869 249 HD11 ILE 30 1HD1 ILE 30 26.297 2.996 21.666 250 HD12 ILE 30 2HD1 ILE 30 26.815 1.827 22.904 251 HD13 ILE 30 3HD1 ILE 30 27.300 1.601 21.207 252 H GLU 31 H GLU 31 23.569 -2.960 20.126 253 HA GLU 31 HA GLU 31 24.204 -5.106 22.098 254 HB2 GLU 31 1HB GLU 31 22.558 -5.239 19.538 255 HB3 GLU 31 2HB GLU 31 22.826 -6.571 20.654 256 HG2 GLU 31 1HG GLU 31 21.611 -5.406 22.406 257 HG3 GLU 31 2HG GLU 31 21.427 -3.988 21.377 258 H GLY 32 H GLY 32 24.788 -7.248 20.790 259 HA2 GLY 32 1HA GLY 32 25.958 -8.316 19.046 260 HA3 GLY 32 2HA GLY 32 26.309 -6.756 18.326 261 H ALA 33 H ALA 33 28.501 -7.169 18.020 262 HA ALA 33 HA ALA 33 30.105 -7.418 20.522 263 HB1 ALA 33 1HB ALA 33 31.688 -8.867 19.291 264 HB2 ALA 33 2HB ALA 33 30.064 -9.591 19.382 265 HB3 ALA 33 3HB ALA 33 30.613 -8.823 17.874 266 H ILE 34 H ILE 34 32.570 -7.086 19.825 267 HA ILE 34 HA ILE 34 32.781 -4.345 19.012 268 HB ILE 34 HB ILE 34 34.865 -6.535 19.361 269 HG12 ILE 34 1HG1 ILE 34 34.289 -4.101 21.060 270 HG13 ILE 34 2HG1 ILE 34 33.585 -5.682 21.358 271 HG21 ILE 34 1HG2 ILE 34 36.546 -4.739 19.254 272 HG22 ILE 34 2HG2 ILE 34 35.669 -4.886 17.714 273 HG23 ILE 34 3HG2 ILE 34 35.273 -3.567 18.839 274 HD11 ILE 34 1HD1 ILE 34 35.527 -5.307 22.772 275 HD12 ILE 34 2HD1 ILE 34 35.829 -6.645 21.636 276 HD13 ILE 34 3HD1 ILE 34 36.543 -5.042 21.336 277 H HIS 35 H HIS 35 33.459 -7.422 17.348 278 HA HIS 35 HA HIS 35 34.374 -6.055 14.924 279 HB2 HIS 35 1HB HIS 35 34.630 -8.270 13.996 280 HB3 HIS 35 2HB HIS 35 35.279 -8.267 15.630 281 HD2 HIS 35 HD2 HIS 35 32.740 -10.202 13.530 282 HE1 HIS 35 HE1 HIS 35 32.087 -11.314 17.592 283 H GLU 36 H GLU 36 31.352 -6.984 16.246 284 HA GLU 36 HA GLU 36 30.068 -6.128 13.714 285 HB2 GLU 36 1HB GLU 36 30.128 -8.648 13.746 286 HB3 GLU 36 2HB GLU 36 29.198 -8.617 15.238 287 HG2 GLU 36 1HG GLU 36 27.335 -7.536 14.090 288 HG3 GLU 36 2HG GLU 36 28.268 -7.471 12.597 289 HA PRO 37 HA PRO 37 28.392 -4.111 17.506 290 HB2 PRO 37 1HB PRO 37 28.370 -1.831 15.514 291 HB3 PRO 37 2HB PRO 37 28.852 -1.821 17.215 292 HG2 PRO 37 1HG PRO 37 30.758 -1.781 15.352 293 HG3 PRO 37 2HG PRO 37 30.967 -2.812 16.771 294 HD2 PRO 37 1HD PRO 37 30.013 -3.575 13.975 295 HD3 PRO 37 2HD PRO 37 31.225 -4.409 15.028 296 H THR 38 H THR 38 26.210 -3.846 17.879 297 HA THR 38 HA THR 38 24.471 -3.293 15.517 298 HB THR 38 HB THR 38 23.820 -5.156 17.842 299 HG1 THR 38 HG1 THR 38 24.700 -5.504 15.218 300 HG21 THR 38 1HG2 THR 38 21.695 -5.528 16.652 301 HG22 THR 38 2HG2 THR 38 21.866 -3.822 17.129 302 HG23 THR 38 3HG2 THR 38 22.153 -4.307 15.442 303 H PHE 39 H PHE 39 22.980 -1.735 15.739 304 HA PHE 39 HA PHE 39 22.908 -0.377 18.403 305 HB2 PHE 39 1HB PHE 39 22.811 0.847 15.617 306 HB3 PHE 39 2HB PHE 39 22.548 1.742 17.105 307 HD1 PHE 39 HD1 PHE 39 25.027 0.013 15.027 308 HD2 PHE 39 HD2 PHE 39 24.378 2.275 18.592 309 HE1 PHE 39 HE1 PHE 39 27.461 0.396 15.224 310 HE2 PHE 39 HE2 PHE 39 26.811 2.663 18.791 311 HZ PHE 39 HZ PHE 39 28.353 1.722 17.107 312 H ARG 40 H ARG 40 20.993 0.172 19.258 313 HA ARG 40 HA ARG 40 18.573 -0.402 17.597 314 HB2 ARG 40 1HB ARG 40 18.916 -2.023 19.452 315 HB3 ARG 40 2HB ARG 40 18.891 -0.697 20.605 316 HG2 ARG 40 1HG ARG 40 16.565 -0.181 19.955 317 HG3 ARG 40 2HG ARG 40 16.596 -1.557 18.825 318 HD2 ARG 40 1HD ARG 40 17.089 -1.750 21.786 319 HD3 ARG 40 2HD ARG 40 15.533 -2.061 20.983 320 HE ARG 40 HE ARG 40 17.913 -3.751 20.973 321 HH11 ARG 40 1HH1 ARG 40 14.791 -3.052 19.523 322 HH12 ARG 40 2HH1 ARG 40 14.602 -4.657 18.852 323 HH21 ARG 40 1HH2 ARG 40 17.658 -5.830 20.097 324 HH22 ARG 40 2HH2 ARG 40 16.225 -6.230 19.177 325 H PHE 41 H PHE 41 17.457 1.340 17.101 326 HA PHE 41 HA PHE 41 17.414 3.585 19.076 327 HB2 PHE 41 1HB PHE 41 17.309 3.590 16.045 328 HB3 PHE 41 2HB PHE 41 16.741 4.959 16.987 329 HD1 PHE 41 HD1 PHE 41 19.720 2.813 16.391 330 HD2 PHE 41 HD2 PHE 41 18.235 6.565 17.793 331 HE1 PHE 41 HE1 PHE 41 22.033 3.674 16.533 332 HE2 PHE 41 HE2 PHE 41 20.546 7.430 17.934 333 HZ PHE 41 HZ PHE 41 22.446 5.983 17.305 334 H ARG 42 H ARG 42 15.448 4.778 19.289 335 HA ARG 42 HA ARG 42 13.042 3.461 18.124 336 HB2 ARG 42 1HB ARG 42 11.829 3.667 20.197 337 HB3 ARG 42 2HB ARG 42 13.302 2.760 20.503 338 HG2 ARG 42 1HG ARG 42 14.351 4.758 21.467 339 HG3 ARG 42 2HG ARG 42 12.867 5.688 21.145 340 HD2 ARG 42 1HD ARG 42 11.617 4.188 22.588 341 HD3 ARG 42 2HD ARG 42 13.101 3.263 22.912 342 HE ARG 42 HE ARG 42 13.555 5.992 23.516 343 HH11 ARG 42 1HH1 ARG 42 11.750 3.218 24.691 344 HH12 ARG 42 2HH1 ARG 42 11.763 3.756 26.356 345 HH21 ARG 42 1HH2 ARG 42 13.566 6.681 25.680 346 HH22 ARG 42 2HH2 ARG 42 12.791 5.716 26.916 347 H VAL 43 H VAL 43 11.204 4.825 17.884 348 HA VAL 43 HA VAL 43 11.692 7.730 18.108 349 HB VAL 43 HB VAL 43 12.711 7.148 15.942 350 HG11 VAL 43 1HG1 VAL 43 11.374 6.182 14.135 351 HG12 VAL 43 2HG1 VAL 43 11.531 5.070 15.515 352 HG13 VAL 43 3HG1 VAL 43 10.013 5.964 15.259 353 HG21 VAL 43 1HG2 VAL 43 11.348 8.635 14.508 354 HG22 VAL 43 2HG2 VAL 43 9.992 8.491 15.651 355 HG23 VAL 43 3HG2 VAL 43 11.500 9.291 16.155 356 H SER 44 H SER 44 9.851 8.950 18.174 357 HA SER 44 HA SER 44 7.250 7.639 17.712 358 HB2 SER 44 1HB SER 44 7.844 6.968 20.005 359 HB3 SER 44 2HB SER 44 8.109 8.648 20.444 360 HG SER 44 HG SER 44 5.847 7.248 20.298 361 H PHE 45 H PHE 45 5.551 9.050 17.434 362 HA PHE 45 HA PHE 45 5.935 11.880 18.173 363 HB2 PHE 45 1HB PHE 45 5.373 12.742 15.974 364 HB3 PHE 45 2HB PHE 45 6.791 11.713 15.837 365 HD1 PHE 45 HD1 PHE 45 3.204 12.014 15.096 366 HD2 PHE 45 HD2 PHE 45 6.719 9.632 14.628 367 HE1 PHE 45 HE1 PHE 45 2.073 10.693 13.339 368 HE2 PHE 45 HE2 PHE 45 5.593 8.310 12.869 369 HZ PHE 45 HZ PHE 45 3.268 8.841 12.225 370 H LYS 46 H LYS 46 3.965 13.126 18.097 371 HA LYS 46 HA LYS 46 1.551 11.373 18.292 372 HB2 LYS 46 1HB LYS 46 2.248 13.907 19.826 373 HB3 LYS 46 2HB LYS 46 0.673 13.128 19.878 374 HG2 LYS 46 1HG LYS 46 1.722 11.083 20.801 375 HG3 LYS 46 2HG LYS 46 3.293 11.896 20.779 376 HD2 LYS 46 1HD LYS 46 2.400 13.645 22.296 377 HD3 LYS 46 2HD LYS 46 0.842 12.808 22.332 378 HE2 LYS 46 1HE LYS 46 1.918 10.820 23.313 379 HE3 LYS 46 2HE LYS 46 3.489 11.623 23.248 380 HZ1 LYS 46 1HZ LYS 46 2.507 11.781 25.416 381 HZ2 LYS 46 2HZ LYS 46 2.636 13.286 24.753 382 HZ3 LYS 46 3HZ LYS 46 1.169 12.534 24.815 383 H ASP 47 H ASP 47 0.448 11.567 16.472 384 HA ASP 47 HA ASP 47 0.347 14.170 15.088 385 HB2 ASP 47 1HB ASP 47 0.681 12.074 13.790 386 HB3 ASP 47 2HB ASP 47 -0.877 11.480 14.349 387 H LYS 48 H LYS 48 -0.912 15.523 16.288 388 HA LYS 48 HA LYS 48 -2.799 16.393 17.277 389 HB2 LYS 48 1HB LYS 48 -4.283 14.390 15.528 390 HB3 LYS 48 2HB LYS 48 -4.982 15.801 16.310 391 HG2 LYS 48 1HG LYS 48 -2.829 15.892 14.175 392 HG3 LYS 48 2HG LYS 48 -4.559 16.138 13.902 393 HD2 LYS 48 1HD LYS 48 -4.513 18.069 15.472 394 HD3 LYS 48 2HD LYS 48 -2.771 17.837 15.681 395 HE2 LYS 48 1HE LYS 48 -2.461 18.184 13.230 396 HE3 LYS 48 2HE LYS 48 -4.193 18.493 13.074 397 HZ1 LYS 48 1HZ LYS 48 -2.946 20.520 13.246 398 HZ2 LYS 48 2HZ LYS 48 -3.934 20.361 14.558 399 HZ3 LYS 48 3HZ LYS 48 -2.316 20.073 14.703 400 H ASP 49 H ASP 49 -1.612 14.909 19.012 401 HA ASP 49 HA ASP 49 -1.861 13.605 20.892 402 HB2 ASP 49 1HB ASP 49 -4.826 14.049 20.357 403 HB3 ASP 49 2HB ASP 49 -4.159 13.386 21.843 404 H THR 50 H THR 50 -1.488 12.267 18.435 405 HA THR 50 HA THR 50 -2.740 9.674 19.210 406 HB THR 50 HB THR 50 -2.253 10.582 16.341 407 HG1 THR 50 HG1 THR 50 -4.103 11.565 16.802 408 HG21 THR 50 1HG2 THR 50 -3.452 8.508 15.767 409 HG22 THR 50 2HG2 THR 50 -1.979 8.153 16.699 410 HG23 THR 50 3HG2 THR 50 -3.570 8.093 17.492 411 HA PRO 51 HA PRO 51 1.729 9.309 19.528 412 HB2 PRO 51 1HB PRO 51 0.798 6.835 21.022 413 HB3 PRO 51 2HB PRO 51 2.038 8.011 21.479 414 HG2 PRO 51 1HG PRO 51 -0.339 8.150 22.672 415 HG3 PRO 51 2HG PRO 51 0.444 9.645 22.151 416 HD2 PRO 51 1HD PRO 51 -1.776 8.067 20.786 417 HD3 PRO 51 2HD PRO 51 -1.630 9.855 21.022 418 H PHE 52 H PHE 52 2.816 8.462 17.829 419 HA PHE 52 HA PHE 52 2.266 5.592 17.189 420 HB2 PHE 52 1HB PHE 52 3.359 7.791 15.393 421 HB3 PHE 52 2HB PHE 52 3.383 6.086 14.973 422 HD1 PHE 52 HD1 PHE 52 1.343 9.077 15.289 423 HD2 PHE 52 HD2 PHE 52 1.278 4.868 14.561 424 HE1 PHE 52 HE1 PHE 52 -0.943 9.274 14.367 425 HE2 PHE 52 HE2 PHE 52 -1.007 5.061 13.636 426 HZ PHE 52 HZ PHE 52 -2.118 7.265 13.541 427 H THR 53 H THR 53 3.689 4.384 18.229 428 HA THR 53 HA THR 53 6.487 5.414 18.450 429 HB THR 53 HB THR 53 4.959 3.621 20.387 430 HG1 THR 53 HG1 THR 53 4.914 5.411 21.667 431 HG21 THR 53 1HG2 THR 53 6.971 3.818 21.795 432 HG22 THR 53 2HG2 THR 53 7.355 3.035 20.243 433 HG23 THR 53 3HG2 THR 53 7.785 4.740 20.511 434 H ALA 54 H ALA 54 8.083 4.242 17.649 435 HA ALA 54 HA ALA 54 7.788 1.327 17.428 436 HB1 ALA 54 1HB ALA 54 8.406 1.290 15.033 437 HB2 ALA 54 2HB ALA 54 6.844 2.100 15.298 438 HB3 ALA 54 3HB ALA 54 8.305 3.066 14.988 439 H MET 55 H MET 55 9.867 0.389 16.388 440 HA MET 55 HA MET 55 12.274 1.978 16.804 441 HB2 MET 55 1HB MET 55 13.186 0.648 18.643 442 HB3 MET 55 2HB MET 55 11.691 1.425 19.143 443 HG2 MET 55 1HG MET 55 10.497 -0.746 18.680 444 HG3 MET 55 2HG MET 55 12.076 -1.484 18.398 445 HE1 MET 55 1HE MET 55 10.609 0.202 22.447 446 HE2 MET 55 2HE MET 55 10.915 1.248 21.037 447 HE3 MET 55 3HE MET 55 9.601 0.047 20.988 448 H GLY 56 H GLY 56 14.262 0.700 16.460 449 HA2 GLY 56 1HA GLY 56 13.999 -1.919 15.192 450 HA3 GLY 56 2HA GLY 56 14.275 -0.630 14.036 451 H ALA 57 H ALA 57 16.221 -2.232 13.842 452 HA ALA 57 HA ALA 57 18.493 -1.002 15.220 453 HB1 ALA 57 1HB ALA 57 19.364 -3.145 16.097 454 HB2 ALA 57 2HB ALA 57 17.814 -2.703 16.853 455 HB3 ALA 57 3HB ALA 57 17.863 -3.953 15.589 456 H GLY 58 H GLY 58 20.559 -1.678 14.377 457 HA2 GLY 58 1HA GLY 58 20.614 -3.298 11.937 458 HA3 GLY 58 2HA GLY 58 20.775 -1.578 11.635 459 H ARG 59 H ARG 59 22.897 -2.521 10.778 460 HA ARG 59 HA ARG 59 24.836 -3.402 12.771 461 HB2 ARG 59 1HB ARG 59 25.115 -2.719 9.826 462 HB3 ARG 59 2HB ARG 59 26.422 -3.339 10.823 463 HG2 ARG 59 1HG ARG 59 25.371 -5.444 11.086 464 HG3 ARG 59 2HG ARG 59 23.820 -4.831 10.463 465 HD2 ARG 59 1HD ARG 59 26.366 -4.985 8.868 466 HD3 ARG 59 2HD ARG 59 25.080 -6.214 8.859 467 HE ARG 59 HE ARG 59 23.865 -3.758 8.306 468 HH11 ARG 59 1HH1 ARG 59 26.265 -5.873 6.855 469 HH12 ARG 59 2HH1 ARG 59 25.892 -5.382 5.218 470 HH21 ARG 59 1HH2 ARG 59 23.389 -3.128 6.176 471 HH22 ARG 59 2HH2 ARG 59 24.264 -3.829 4.833 472 H SER 60 H SER 60 23.792 -0.392 11.468 473 HA SER 60 HA SER 60 25.958 0.935 13.021 474 HB2 SER 60 1HB SER 60 26.271 2.607 11.306 475 HB3 SER 60 2HB SER 60 26.538 1.018 10.606 476 HG SER 60 HG SER 60 25.030 1.412 9.297 477 H LYS 61 H LYS 61 25.448 3.244 13.481 478 HA LYS 61 HA LYS 61 22.899 3.499 14.700 479 HB2 LYS 61 1HB LYS 61 24.963 5.580 13.893 480 HB3 LYS 61 2HB LYS 61 23.507 5.978 14.793 481 HG2 LYS 61 1HG LYS 61 24.212 4.475 16.616 482 HG3 LYS 61 2HG LYS 61 25.675 4.066 15.709 483 HD2 LYS 61 1HD LYS 61 26.361 6.446 15.746 484 HD3 LYS 61 2HD LYS 61 24.901 6.849 16.662 485 HE2 LYS 61 1HE LYS 61 25.633 5.380 18.501 486 HE3 LYS 61 2HE LYS 61 27.076 4.934 17.586 487 HZ1 LYS 61 1HZ LYS 61 27.538 6.645 19.182 488 HZ2 LYS 61 2HZ LYS 61 27.760 7.232 17.656 489 HZ3 LYS 61 3HZ LYS 61 26.413 7.649 18.512 490 H LYS 62 H LYS 62 24.101 4.648 11.558 491 HA LYS 62 HA LYS 62 21.736 6.088 10.842 492 HB2 LYS 62 1HB LYS 62 23.929 6.344 9.691 493 HB3 LYS 62 2HB LYS 62 23.772 4.719 9.039 494 HG2 LYS 62 1HG LYS 62 21.800 5.387 7.756 495 HG3 LYS 62 2HG LYS 62 21.869 7.008 8.461 496 HD2 LYS 62 1HD LYS 62 24.194 7.241 7.493 497 HD3 LYS 62 2HD LYS 62 23.933 5.706 6.652 498 HE2 LYS 62 1HE LYS 62 22.108 8.117 6.366 499 HE3 LYS 62 2HE LYS 62 23.449 7.764 5.273 500 HZ1 LYS 62 1HZ LYS 62 21.379 6.934 4.428 501 HZ2 LYS 62 2HZ LYS 62 22.393 5.674 4.749 502 HZ3 LYS 62 3HZ LYS 62 21.140 6.005 5.769 503 H GLU 63 H GLU 63 22.797 2.765 10.052 504 HA GLU 63 HA GLU 63 20.491 2.093 8.525 505 HB2 GLU 63 1HB GLU 63 22.633 0.801 8.538 506 HB3 GLU 63 2HB GLU 63 22.273 0.247 10.167 507 HG2 GLU 63 1HG GLU 63 20.392 -1.016 9.425 508 HG3 GLU 63 2HG GLU 63 20.436 -0.272 7.828 509 H ALA 64 H ALA 64 21.194 1.813 11.994 510 HA ALA 64 HA ALA 64 18.825 0.385 12.687 511 HB1 ALA 64 1HB ALA 64 19.255 1.210 14.979 512 HB2 ALA 64 2HB ALA 64 20.738 0.594 14.211 513 HB3 ALA 64 3HB ALA 64 20.462 2.346 14.335 514 H LYS 65 H LYS 65 19.516 3.863 12.439 515 HA LYS 65 HA LYS 65 16.965 4.758 13.360 516 HB2 LYS 65 1HB LYS 65 19.029 6.003 11.512 517 HB3 LYS 65 2HB LYS 65 17.550 6.835 11.971 518 HG2 LYS 65 1HG LYS 65 18.195 6.759 14.328 519 HG3 LYS 65 2HG LYS 65 19.647 5.834 13.920 520 HD2 LYS 65 1HD LYS 65 20.399 7.741 12.475 521 HD3 LYS 65 2HD LYS 65 18.994 8.666 13.025 522 HE2 LYS 65 1HE LYS 65 19.785 8.461 15.366 523 HE3 LYS 65 2HE LYS 65 21.194 7.557 14.808 524 HZ1 LYS 65 1HZ LYS 65 21.701 9.863 15.142 525 HZ2 LYS 65 2HZ LYS 65 21.859 9.485 13.544 526 HZ3 LYS 65 3HZ LYS 65 20.542 10.331 14.066 527 H HIS 66 H HIS 66 18.143 3.802 10.155 528 HA HIS 66 HA HIS 66 15.779 4.476 8.690 529 HB2 HIS 66 1HB HIS 66 17.929 2.381 8.250 530 HB3 HIS 66 2HB HIS 66 16.595 2.622 7.130 531 HD2 HIS 66 HD2 HIS 66 20.183 3.825 7.346 532 HE1 HIS 66 HE1 HIS 66 17.994 6.999 5.562 533 H ALA 67 H ALA 67 16.731 1.520 10.431 534 HA ALA 67 HA ALA 67 14.414 0.015 9.714 535 HB1 ALA 67 1HB ALA 67 15.015 -1.418 11.639 536 HB2 ALA 67 2HB ALA 67 16.434 -1.030 10.637 537 HB3 ALA 67 3HB ALA 67 16.178 -0.187 12.182 538 H ALA 68 H ALA 68 15.101 2.187 12.439 539 HA ALA 68 HA ALA 68 12.645 1.705 13.819 540 HB1 ALA 68 1HB ALA 68 13.140 3.827 14.990 541 HB2 ALA 68 2HB ALA 68 14.572 2.775 14.898 542 HB3 ALA 68 3HB ALA 68 14.422 4.171 13.806 543 H ALA 69 H ALA 69 13.595 4.197 11.450 544 HA ALA 69 HA ALA 69 11.071 5.535 11.449 545 HB1 ALA 69 1HB ALA 69 11.840 6.520 9.314 546 HB2 ALA 69 2HB ALA 69 13.111 6.569 10.559 547 HB3 ALA 69 3HB ALA 69 13.178 5.350 9.266 548 H ARG 70 H ARG 70 12.355 2.838 9.535 549 HA ARG 70 HA ARG 70 10.231 2.548 7.707 550 HB2 ARG 70 1HB ARG 70 12.282 1.236 7.547 551 HB3 ARG 70 2HB ARG 70 11.923 0.419 9.061 552 HG2 ARG 70 1HG ARG 70 9.908 -0.586 8.011 553 HG3 ARG 70 2HG ARG 70 10.374 0.178 6.471 554 HD2 ARG 70 1HD ARG 70 12.137 -1.690 8.032 555 HD3 ARG 70 2HD ARG 70 11.054 -2.192 6.714 556 HE ARG 70 HE ARG 70 12.462 -0.266 5.500 557 HH11 ARG 70 1HH1 ARG 70 13.509 -2.914 7.557 558 HH12 ARG 70 2HH1 ARG 70 15.066 -3.072 6.775 559 HH21 ARG 70 1HH2 ARG 70 14.486 -0.480 4.493 560 HH22 ARG 70 2HH2 ARG 70 15.620 -1.694 5.040 561 H ALA 71 H ALA 71 10.638 0.868 10.853 562 HA ALA 71 HA ALA 71 8.082 -0.363 10.816 563 HB1 ALA 71 1HB ALA 71 8.431 -0.693 13.243 564 HB2 ALA 71 2HB ALA 71 9.891 -1.092 12.307 565 HB3 ALA 71 3HB ALA 71 9.796 0.446 13.194 566 H LEU 72 H LEU 72 9.142 2.797 11.998 567 HA LEU 72 HA LEU 72 6.787 3.512 13.401 568 HB2 LEU 72 1HB LEU 72 8.875 4.793 13.533 569 HB3 LEU 72 2HB LEU 72 8.724 5.253 11.834 570 HG LEU 72 HG LEU 72 6.615 6.491 12.422 571 HD11 LEU 72 1HD1 LEU 72 6.190 6.961 14.794 572 HD12 LEU 72 2HD1 LEU 72 6.038 5.226 14.430 573 HD13 LEU 72 3HD1 LEU 72 7.494 5.840 15.249 574 HD21 LEU 72 1HD2 LEU 72 7.816 8.366 13.495 575 HD22 LEU 72 2HD2 LEU 72 9.144 7.264 13.934 576 HD23 LEU 72 3HD2 LEU 72 8.808 7.615 12.221 577 H ILE 73 H ILE 73 7.700 4.160 10.000 578 HA ILE 73 HA ILE 73 5.221 5.457 9.360 579 HB ILE 73 HB ILE 73 7.361 4.173 7.618 580 HG12 ILE 73 1HG1 ILE 73 6.687 7.087 8.063 581 HG13 ILE 73 2HG1 ILE 73 7.918 6.220 8.969 582 HG21 ILE 73 1HG2 ILE 73 6.277 5.308 5.722 583 HG22 ILE 73 2HG2 ILE 73 5.191 4.102 6.450 584 HG23 ILE 73 3HG2 ILE 73 4.952 5.833 6.788 585 HD11 ILE 73 1HD1 ILE 73 8.903 7.490 7.144 586 HD12 ILE 73 2HD1 ILE 73 9.132 5.743 6.886 587 HD13 ILE 73 3HD1 ILE 73 7.886 6.623 5.969 588 H ASP 74 H ASP 74 6.378 2.114 9.027 589 HA ASP 74 HA ASP 74 4.184 1.037 7.624 590 HB2 ASP 74 1HB ASP 74 6.003 -0.156 9.744 591 HB3 ASP 74 2HB ASP 74 4.764 -1.102 8.931 592 H LYS 75 H LYS 75 4.604 1.582 11.122 593 HA LYS 75 HA LYS 75 2.022 0.597 11.877 594 HB2 LYS 75 1HB LYS 75 3.841 0.974 13.505 595 HB3 LYS 75 2HB LYS 75 3.780 2.704 13.197 596 HG2 LYS 75 1HG LYS 75 1.475 2.781 14.087 597 HG3 LYS 75 2HG LYS 75 1.551 1.043 14.410 598 HD2 LYS 75 1HD LYS 75 3.409 1.373 15.966 599 HD3 LYS 75 2HD LYS 75 3.458 3.100 15.584 600 HE2 LYS 75 1HE LYS 75 2.274 2.808 17.672 601 HE3 LYS 75 2HE LYS 75 1.117 3.316 16.439 602 HZ1 LYS 75 1HZ LYS 75 0.265 1.525 17.763 603 HZ2 LYS 75 2HZ LYS 75 0.450 1.023 16.203 604 HZ3 LYS 75 3HZ LYS 75 1.530 0.549 17.355 605 H LEU 76 H LEU 76 3.187 3.873 11.069 606 HA LEU 76 HA LEU 76 0.791 5.259 11.591 607 HB2 LEU 76 1HB LEU 76 2.880 6.416 11.147 608 HB3 LEU 76 2HB LEU 76 2.941 5.766 9.506 609 HG LEU 76 HG LEU 76 0.892 7.085 8.949 610 HD11 LEU 76 1HD1 LEU 76 0.169 8.835 10.512 611 HD12 LEU 76 2HD1 LEU 76 -0.051 7.208 11.199 612 HD13 LEU 76 3HD1 LEU 76 1.313 8.221 11.728 613 HD21 LEU 76 1HD2 LEU 76 2.057 9.265 8.914 614 HD22 LEU 76 2HD2 LEU 76 3.229 8.658 10.109 615 HD23 LEU 76 3HD2 LEU 76 3.165 7.940 8.482 616 H ILE 77 H ILE 77 1.925 3.834 8.509 617 HA ILE 77 HA ILE 77 -0.536 4.542 7.141 618 HB ILE 77 HB ILE 77 1.807 2.759 6.367 619 HG12 ILE 77 1HG1 ILE 77 0.975 5.470 5.316 620 HG13 ILE 77 2HG1 ILE 77 2.173 5.232 6.578 621 HG21 ILE 77 1HG2 ILE 77 0.842 2.753 4.103 622 HG22 ILE 77 2HG2 ILE 77 -0.251 1.966 5.265 623 HG23 ILE 77 3HG2 ILE 77 -0.590 3.621 4.706 624 HD11 ILE 77 1HD1 ILE 77 3.232 5.549 4.413 625 HD12 ILE 77 2HD1 ILE 77 3.556 3.912 5.035 626 HD13 ILE 77 3HD1 ILE 77 2.343 4.155 3.755 627 H GLY 78 H GLY 78 0.828 1.569 8.542 628 HA2 GLY 78 1HA GLY 78 -0.468 -0.298 9.290 629 HA3 GLY 78 2HA GLY 78 -1.840 0.283 8.366 630 H ALA 79 H ALA 79 1.459 0.034 7.103 631 HA ALA 79 HA ALA 79 1.068 -2.426 5.677 632 HB1 ALA 79 1HB ALA 79 0.807 -1.491 3.402 633 HB2 ALA 79 2HB ALA 79 -0.591 -1.110 4.436 634 HB3 ALA 79 3HB ALA 79 0.633 0.136 4.099 635 H GLN 80 H GLN 80 2.758 -2.817 4.050 636 HA GLN 80 HA GLN 80 5.296 -1.982 5.121 637 HB2 GLN 80 1HB GLN 80 5.043 -4.195 4.136 638 HB3 GLN 80 2HB GLN 80 4.565 -3.506 2.591 639 HG2 GLN 80 1HG GLN 80 6.825 -4.245 2.428 640 HG3 GLN 80 2HG GLN 80 6.825 -2.459 2.417 641 HE21 GLN 80 1HE2 GLN 80 9.097 -2.244 5.012 642 HE22 GLN 80 2HE2 GLN 80 8.397 -1.582 3.572 643 H LEU 81 H LEU 81 6.294 -0.140 4.813 644 HA LEU 81 HA LEU 81 5.614 1.687 2.691 645 HB2 LEU 81 1HB LEU 81 6.506 2.448 4.849 646 HB3 LEU 81 2HB LEU 81 8.021 1.591 4.546 647 HG LEU 81 HG LEU 81 8.357 3.110 2.538 648 HD11 LEU 81 1HD1 LEU 81 7.058 5.192 2.501 649 HD12 LEU 81 2HD1 LEU 81 6.024 3.768 2.242 650 HD13 LEU 81 3HD1 LEU 81 6.040 4.580 3.825 651 HD21 LEU 81 1HD2 LEU 81 9.101 4.999 3.948 652 HD22 LEU 81 2HD2 LEU 81 8.110 4.384 5.294 653 HD23 LEU 81 3HD2 LEU 81 9.499 3.438 4.706 654 HA PRO 82 HA PRO 82 8.083 -0.213 -0.497 655 HB2 PRO 82 1HB PRO 82 7.365 2.419 -1.802 656 HB3 PRO 82 2HB PRO 82 7.214 0.778 -2.443 657 HG2 PRO 82 1HG PRO 82 5.009 2.026 -1.616 658 HG3 PRO 82 2HG PRO 82 5.234 0.323 -1.206 659 HD2 PRO 82 1HD PRO 82 5.770 2.790 0.512 660 HD3 PRO 82 2HD PRO 82 4.896 1.269 0.954 661 H GLU 83 H GLU 83 10.230 0.023 -0.893 662 HA GLU 83 HA GLU 83 11.482 2.681 -0.403 663 HB2 GLU 83 1HB GLU 83 12.421 0.014 0.725 664 HB3 GLU 83 2HB GLU 83 13.391 1.480 0.729 665 HG2 GLU 83 1HG GLU 83 11.708 2.601 2.124 666 HG3 GLU 83 2HG GLU 83 10.719 1.142 2.110 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 -0.334 -0.943 -0.000 2 H2 ASN 1 2H ASN 1 -0.334 0.471 0.816 3 H3 ASN 1 3H ASN 1 -0.334 0.471 -0.816 4 HA ASN 1 HA ASN 1 1.804 -0.481 0.916 5 HB2 ASN 1 1HB ASN 1 1.546 -0.396 -2.106 6 HB3 ASN 1 2HB ASN 1 3.070 -0.636 -1.262 7 HD21 ASN 1 1HD2 ASN 1 1.141 -3.833 -2.186 8 HD22 ASN 1 2HD2 ASN 1 1.271 -2.334 -3.043 9 H GLY 2 H GLY 2 3.580 0.824 1.127 10 HA2 GLY 2 1HA GLY 2 3.048 3.693 0.529 11 HA3 GLY 2 2HA GLY 2 4.168 3.084 1.733 12 H LEU 3 H LEU 3 6.039 4.038 1.072 13 HA LEU 3 HA LEU 3 6.821 3.798 -1.780 14 HB2 LEU 3 1HB LEU 3 8.109 5.350 0.494 15 HB3 LEU 3 2HB LEU 3 8.591 5.411 -1.205 16 HG LEU 3 HG LEU 3 5.922 6.353 -0.096 17 HD11 LEU 3 1HD1 LEU 3 6.795 8.593 -0.593 18 HD12 LEU 3 2HD1 LEU 3 7.794 7.751 0.616 19 HD13 LEU 3 3HD1 LEU 3 8.354 7.880 -1.069 20 HD21 LEU 3 1HD2 LEU 3 5.617 7.269 -2.371 21 HD22 LEU 3 2HD2 LEU 3 7.160 6.538 -2.873 22 HD23 LEU 3 3HD2 LEU 3 5.790 5.498 -2.412 23 H ALA 4 H ALA 4 9.119 3.315 -2.255 24 HA ALA 4 HA ALA 4 9.771 0.741 -1.219 25 HB1 ALA 4 1HB ALA 4 11.851 0.972 -2.538 26 HB2 ALA 4 2HB ALA 4 10.419 1.462 -3.474 27 HB3 ALA 4 3HB ALA 4 11.495 2.697 -2.782 28 H MET 5 H MET 5 11.477 0.010 0.050 29 HA MET 5 HA MET 5 12.021 1.855 2.270 30 HB2 MET 5 1HB MET 5 12.575 -1.104 1.854 31 HB3 MET 5 2HB MET 5 13.042 -0.229 3.304 32 HG2 MET 5 1HG MET 5 10.629 0.352 3.662 33 HG3 MET 5 2HG MET 5 10.224 -0.677 2.286 34 HE1 MET 5 1HE MET 5 11.076 -4.242 3.494 35 HE2 MET 5 2HE MET 5 10.235 -3.246 2.282 36 HE3 MET 5 3HE MET 5 12.008 -3.169 2.423 37 H LYS 6 H LYS 6 13.330 3.132 0.568 38 HA LYS 6 HA LYS 6 16.116 2.125 0.444 39 HB2 LYS 6 1HB LYS 6 14.747 4.539 -0.801 40 HB3 LYS 6 2HB LYS 6 16.476 4.242 -0.917 41 HG2 LYS 6 1HG LYS 6 16.043 2.115 -2.086 42 HG3 LYS 6 2HG LYS 6 14.302 2.404 -1.961 43 HD2 LYS 6 1HD LYS 6 14.555 4.491 -3.270 44 HD3 LYS 6 2HD LYS 6 16.295 4.194 -3.400 45 HE2 LYS 6 1HE LYS 6 15.854 2.085 -4.602 46 HE3 LYS 6 2HE LYS 6 14.116 2.354 -4.455 47 HZ1 LYS 6 1HZ LYS 6 14.937 3.042 -6.586 48 HZ2 LYS 6 2HZ LYS 6 14.373 4.352 -5.758 49 HZ3 LYS 6 3HZ LYS 6 15.997 4.100 -5.897 50 H THR 7 H THR 7 14.528 5.226 1.301 51 HA THR 7 HA THR 7 16.354 5.337 3.659 52 HB THR 7 HB THR 7 16.416 7.844 3.368 53 HG1 THR 7 HG1 THR 7 15.211 8.671 1.851 54 HG21 THR 7 1HG2 THR 7 18.090 7.817 1.561 55 HG22 THR 7 2HG2 THR 7 18.299 6.419 2.642 56 HG23 THR 7 3HG2 THR 7 17.524 6.209 1.054 57 HA PRO 8 HA PRO 8 11.890 5.327 4.777 58 HB2 PRO 8 1HB PRO 8 13.345 4.370 7.289 59 HB3 PRO 8 2HB PRO 8 11.770 3.862 6.667 60 HG2 PRO 8 1HG PRO 8 13.862 2.294 6.198 61 HG3 PRO 8 2HG PRO 8 12.724 2.601 4.883 62 HD2 PRO 8 1HD PRO 8 15.462 3.810 5.374 63 HD3 PRO 8 2HD PRO 8 14.681 3.342 3.811 64 H VAL 9 H VAL 9 14.754 6.454 6.582 65 HA VAL 9 HA VAL 9 13.470 8.122 8.460 66 HB VAL 9 HB VAL 9 16.186 8.337 7.107 67 HG11 VAL 9 1HG1 VAL 9 16.805 9.937 8.852 68 HG12 VAL 9 2HG1 VAL 9 15.511 10.563 7.802 69 HG13 VAL 9 3HG1 VAL 9 15.122 9.956 9.430 70 HG21 VAL 9 1HG2 VAL 9 16.978 7.502 9.297 71 HG22 VAL 9 2HG2 VAL 9 15.298 7.444 9.881 72 HG23 VAL 9 3HG2 VAL 9 15.819 6.372 8.559 73 H SER 10 H SER 10 14.652 8.867 5.172 74 HA SER 10 HA SER 10 13.886 11.644 5.300 75 HB2 SER 10 1HB SER 10 14.442 11.716 2.970 76 HB3 SER 10 2HB SER 10 15.619 10.682 3.765 77 HG SER 10 HG SER 10 13.907 9.004 3.170 78 H ILE 11 H ILE 11 12.280 8.679 4.272 79 HA ILE 11 HA ILE 11 9.993 9.928 3.077 80 HB ILE 11 HB ILE 11 10.363 7.211 4.399 81 HG12 ILE 11 1HG1 ILE 11 10.068 7.922 1.476 82 HG13 ILE 11 2HG1 ILE 11 11.621 7.765 2.281 83 HG21 ILE 11 1HG2 ILE 11 8.220 6.594 3.356 84 HG22 ILE 11 2HG2 ILE 11 8.000 7.899 4.545 85 HG23 ILE 11 3HG2 ILE 11 8.000 8.272 2.805 86 HD11 ILE 11 1HD1 ILE 11 11.035 5.723 1.099 87 HD12 ILE 11 2HD1 ILE 11 11.102 5.433 2.855 88 HD13 ILE 11 3HD1 ILE 11 9.529 5.591 2.037 89 H LEU 12 H LEU 12 10.612 8.728 6.387 90 HA LEU 12 HA LEU 12 8.163 9.491 7.550 91 HB2 LEU 12 1HB LEU 12 9.883 8.160 8.705 92 HB3 LEU 12 2HB LEU 12 10.953 9.564 8.757 93 HG LEU 12 HG LEU 12 9.237 10.724 10.196 94 HD11 LEU 12 1HD1 LEU 12 7.516 9.327 11.252 95 HD12 LEU 12 2HD1 LEU 12 7.289 9.431 9.490 96 HD13 LEU 12 3HD1 LEU 12 7.987 7.962 10.213 97 HD21 LEU 12 1HD2 LEU 12 9.832 9.428 12.215 98 HD22 LEU 12 2HD2 LEU 12 10.336 8.062 11.190 99 HD23 LEU 12 3HD2 LEU 12 11.232 9.599 11.128 100 H GLN 13 H GLN 13 11.155 11.395 7.125 101 HA GLN 13 HA GLN 13 10.269 13.747 8.420 102 HB2 GLN 13 1HB GLN 13 12.212 13.338 6.118 103 HB3 GLN 13 2HB GLN 13 11.948 14.901 6.879 104 HG2 GLN 13 1HG GLN 13 12.749 14.076 8.999 105 HG3 GLN 13 2HG GLN 13 12.875 12.420 8.341 106 HE21 GLN 13 1HE2 GLN 13 16.220 14.153 8.361 107 HE22 GLN 13 2HE2 GLN 13 14.998 13.904 9.565 108 H GLU 14 H GLU 14 9.960 12.754 5.010 109 HA GLU 14 HA GLU 14 8.675 15.132 4.109 110 HB2 GLU 14 1HB GLU 14 9.618 13.494 2.549 111 HB3 GLU 14 2HB GLU 14 8.480 12.269 3.092 112 HG2 GLU 14 1HG GLU 14 7.721 13.101 1.001 113 HG3 GLU 14 2HG GLU 14 6.615 13.685 2.243 114 H LEU 15 H LEU 15 7.353 12.065 5.361 115 HA LEU 15 HA LEU 15 4.616 12.706 4.920 116 HB2 LEU 15 1HB LEU 15 5.970 10.888 6.938 117 HB3 LEU 15 2HB LEU 15 4.217 10.988 6.750 118 HG LEU 15 HG LEU 15 6.122 10.168 4.530 119 HD11 LEU 15 1HD1 LEU 15 5.352 7.884 4.996 120 HD12 LEU 15 2HD1 LEU 15 6.212 8.584 6.387 121 HD13 LEU 15 3HD1 LEU 15 4.435 8.479 6.399 122 HD21 LEU 15 1HD2 LEU 15 4.034 9.377 3.468 123 HD22 LEU 15 2HD2 LEU 15 3.097 9.993 4.851 124 HD23 LEU 15 3HD2 LEU 15 3.967 11.127 3.789 125 H LEU 16 H LEU 16 6.756 13.267 7.708 126 HA LEU 16 HA LEU 16 4.525 14.290 9.311 127 HB2 LEU 16 1HB LEU 16 7.511 14.141 9.856 128 HB3 LEU 16 2HB LEU 16 6.297 14.669 11.026 129 HG LEU 16 HG LEU 16 6.545 11.890 9.824 130 HD11 LEU 16 1HD1 LEU 16 7.132 11.256 12.121 131 HD12 LEU 16 2HD1 LEU 16 8.283 12.435 11.450 132 HD13 LEU 16 3HD1 LEU 16 7.046 12.964 12.614 133 HD21 LEU 16 1HD2 LEU 16 4.729 11.316 11.399 134 HD22 LEU 16 2HD2 LEU 16 4.608 13.025 11.883 135 HD23 LEU 16 3HD2 LEU 16 4.192 12.538 10.221 136 H SER 17 H SER 17 7.022 15.555 7.244 137 HA SER 17 HA SER 17 6.826 18.300 8.063 138 HB2 SER 17 1HB SER 17 7.489 17.023 5.392 139 HB3 SER 17 2HB SER 17 7.609 18.748 5.706 140 HG SER 17 HG SER 17 8.936 16.674 7.072 141 H ARG 18 H ARG 18 4.963 16.284 5.811 142 HA ARG 18 HA ARG 18 3.261 18.440 4.915 143 HB2 ARG 18 1HB ARG 18 2.890 15.427 4.892 144 HB3 ARG 18 2HB ARG 18 1.776 16.560 4.141 145 HG2 ARG 18 1HG ARG 18 3.505 17.308 2.603 146 HG3 ARG 18 2HG ARG 18 4.698 16.255 3.402 147 HD2 ARG 18 1HD ARG 18 3.218 14.327 2.841 148 HD3 ARG 18 2HD ARG 18 2.254 15.448 1.853 149 HE ARG 18 HE ARG 18 5.036 15.596 1.185 150 HH11 ARG 18 1HH1 ARG 18 2.152 13.636 0.758 151 HH12 ARG 18 2HH1 ARG 18 2.686 12.958 -0.764 152 HH21 ARG 18 1HH2 ARG 18 5.718 14.709 -0.792 153 HH22 ARG 18 2HH2 ARG 18 4.704 13.565 -1.642 154 H ARG 19 H ARG 19 3.141 16.080 7.546 155 HA ARG 19 HA ARG 19 0.433 16.819 8.330 156 HB2 ARG 19 1HB ARG 19 2.597 15.213 9.727 157 HB3 ARG 19 2HB ARG 19 0.984 15.459 10.381 158 HG2 ARG 19 1HG ARG 19 1.611 14.089 7.753 159 HG3 ARG 19 2HG ARG 19 1.223 13.280 9.291 160 HD2 ARG 19 1HD ARG 19 -0.581 15.210 7.851 161 HD3 ARG 19 2HD ARG 19 -0.681 13.437 7.750 162 HE ARG 19 HE ARG 19 -0.809 13.831 10.410 163 HH11 ARG 19 1HH1 ARG 19 -2.501 15.372 7.745 164 HH12 ARG 19 2HH1 ARG 19 -3.942 15.696 8.683 165 HH21 ARG 19 1HH2 ARG 19 -2.684 14.257 11.617 166 HH22 ARG 19 2HH2 ARG 19 -4.046 15.065 10.874 167 H GLY 20 H GLY 20 3.708 17.785 9.159 168 HA2 GLY 20 1HA GLY 20 4.311 19.818 10.212 169 HA3 GLY 20 2HA GLY 20 2.647 20.059 10.708 170 H ILE 21 H ILE 21 4.454 17.056 11.192 171 HA ILE 21 HA ILE 21 4.236 17.519 14.135 172 HB ILE 21 HB ILE 21 4.278 14.878 12.611 173 HG12 ILE 21 1HG1 ILE 21 2.200 16.089 12.249 174 HG13 ILE 21 2HG1 ILE 21 1.943 14.673 13.256 175 HG21 ILE 21 1HG2 ILE 21 3.743 13.888 14.801 176 HG22 ILE 21 2HG2 ILE 21 5.312 14.727 14.844 177 HG23 ILE 21 3HG2 ILE 21 3.875 15.491 15.562 178 HD11 ILE 21 1HD1 ILE 21 0.669 16.574 14.076 179 HD12 ILE 21 2HD1 ILE 21 1.904 16.090 15.263 180 HD13 ILE 21 3HD1 ILE 21 2.163 17.526 14.243 181 H THR 22 H THR 22 5.992 17.469 15.369 182 HA THR 22 HA THR 22 8.576 16.834 14.045 183 HB THR 22 HB THR 22 7.990 18.260 16.676 184 HG1 THR 22 HG1 THR 22 9.265 19.520 14.545 185 HG21 THR 22 1HG2 THR 22 10.394 18.799 16.658 186 HG22 THR 22 2HG2 THR 22 10.137 17.039 16.726 187 HG23 THR 22 3HG2 THR 22 10.609 17.811 15.194 188 HA PRO 23 HA PRO 23 8.357 13.086 16.389 189 HB2 PRO 23 1HB PRO 23 10.162 11.647 14.962 190 HB3 PRO 23 2HB PRO 23 8.571 12.027 14.292 191 HG2 PRO 23 1HG PRO 23 11.231 13.439 13.816 192 HG3 PRO 23 2HG PRO 23 10.050 12.902 12.618 193 HD2 PRO 23 1HD PRO 23 10.129 15.488 13.547 194 HD3 PRO 23 2HD PRO 23 8.590 14.689 13.031 195 H GLY 24 H GLY 24 9.950 11.800 17.654 196 HA2 GLY 24 1HA GLY 24 12.637 13.048 17.966 197 HA3 GLY 24 2HA GLY 24 11.635 12.867 19.394 198 H TYR 25 H TYR 25 14.235 11.631 18.679 199 HA TYR 25 HA TYR 25 13.495 8.854 19.325 200 HB2 TYR 25 1HB TYR 25 14.776 7.850 17.537 201 HB3 TYR 25 2HB TYR 25 13.591 8.935 16.823 202 HD1 TYR 25 HD1 TYR 25 17.168 8.458 17.592 203 HD2 TYR 25 HD2 TYR 25 14.246 10.895 15.610 204 HE1 TYR 25 HE1 TYR 25 18.970 9.616 16.359 205 HE2 TYR 25 HE2 TYR 25 16.048 12.053 14.376 206 HH TYR 25 HH TYR 25 18.250 12.314 14.153 207 H GLU 26 H GLU 26 15.369 7.532 19.928 208 HA GLU 26 HA GLU 26 17.852 8.976 20.525 209 HB2 GLU 26 1HB GLU 26 17.776 8.561 22.941 210 HB3 GLU 26 2HB GLU 26 16.437 9.590 22.454 211 HG2 GLU 26 1HG GLU 26 14.943 7.603 22.474 212 HG3 GLU 26 2HG GLU 26 16.293 6.629 23.055 213 H LEU 27 H LEU 27 19.561 7.606 21.254 214 HA LEU 27 HA LEU 27 19.373 4.872 20.290 215 HB2 LEU 27 1HB LEU 27 21.455 6.131 20.082 216 HB3 LEU 27 2HB LEU 27 21.541 6.340 21.834 217 HG LEU 27 HG LEU 27 21.786 3.846 22.056 218 HD11 LEU 27 1HD1 LEU 27 22.366 2.571 20.040 219 HD12 LEU 27 2HD1 LEU 27 20.711 3.220 19.955 220 HD13 LEU 27 3HD1 LEU 27 22.022 4.000 19.037 221 HD21 LEU 27 1HD2 LEU 27 24.136 3.841 21.288 222 HD22 LEU 27 2HD2 LEU 27 23.817 5.289 20.302 223 HD23 LEU 27 3HD2 LEU 27 23.723 5.383 22.077 224 H VAL 28 H VAL 28 18.722 3.141 21.342 225 HA VAL 28 HA VAL 28 18.058 3.380 24.194 226 HB VAL 28 HB VAL 28 17.675 1.106 22.200 227 HG11 VAL 28 1HG1 VAL 28 16.190 0.120 23.877 228 HG12 VAL 28 2HG1 VAL 28 17.868 0.237 24.459 229 HG13 VAL 28 3HG1 VAL 28 16.644 1.398 25.029 230 HG21 VAL 28 1HG2 VAL 28 15.303 1.806 22.287 231 HG22 VAL 28 2HG2 VAL 28 15.738 3.137 23.387 232 HG23 VAL 28 3HG2 VAL 28 16.345 3.130 21.713 233 H GLN 29 H GLN 29 19.923 1.064 22.183 234 HA GLN 29 HA GLN 29 22.027 0.873 24.166 235 HB2 GLN 29 1HB GLN 29 21.692 -1.468 24.800 236 HB3 GLN 29 2HB GLN 29 20.309 -0.502 25.294 237 HG2 GLN 29 1HG GLN 29 19.120 -1.276 23.221 238 HG3 GLN 29 2HG GLN 29 20.486 -2.395 22.949 239 HE21 GLN 29 1HE2 GLN 29 18.674 -4.791 24.718 240 HE22 GLN 29 2HE2 GLN 29 19.373 -4.296 23.212 241 H ILE 30 H ILE 30 23.711 -0.660 23.560 242 HA ILE 30 HA ILE 30 23.620 -1.272 20.635 243 HB ILE 30 HB ILE 30 26.020 -0.551 22.372 244 HG12 ILE 30 1HG1 ILE 30 24.810 0.937 20.032 245 HG13 ILE 30 2HG1 ILE 30 24.490 1.320 21.716 246 HG21 ILE 30 1HG2 ILE 30 27.306 -0.688 20.277 247 HG22 ILE 30 2HG2 ILE 30 26.586 -2.262 20.689 248 HG23 ILE 30 3HG2 ILE 30 25.854 -1.254 19.418 249 HD11 ILE 30 1HD1 ILE 30 26.194 2.786 20.792 250 HD12 ILE 30 2HD1 ILE 30 26.878 1.767 22.082 251 HD13 ILE 30 3HD1 ILE 30 27.202 1.381 20.375 252 H GLU 31 H GLU 31 23.870 -3.305 20.007 253 HA GLU 31 HA GLU 31 24.534 -5.282 22.150 254 HB2 GLU 31 1HB GLU 31 22.678 -5.644 19.762 255 HB3 GLU 31 2HB GLU 31 23.013 -6.844 21.002 256 HG2 GLU 31 1HG GLU 31 21.946 -5.469 22.692 257 HG3 GLU 31 2HG GLU 31 21.716 -4.163 21.531 258 H GLY 32 H GLY 32 25.064 -7.515 21.071 259 HA2 GLY 32 1HA GLY 32 26.110 -8.798 19.407 260 HA3 GLY 32 2HA GLY 32 26.239 -7.370 18.396 261 H ALA 33 H ALA 33 28.410 -8.046 17.894 262 HA ALA 33 HA ALA 33 30.343 -8.184 20.102 263 HB1 ALA 33 1HB ALA 33 31.966 -8.751 18.323 264 HB2 ALA 33 2HB ALA 33 30.520 -9.786 18.251 265 HB3 ALA 33 3HB ALA 33 30.714 -8.447 17.096 266 H ILE 34 H ILE 34 32.363 -6.974 20.055 267 HA ILE 34 HA ILE 34 32.013 -4.162 19.715 268 HB ILE 34 HB ILE 34 34.507 -5.878 20.015 269 HG12 ILE 34 1HG1 ILE 34 33.187 -3.986 21.969 270 HG13 ILE 34 2HG1 ILE 34 32.853 -5.709 21.907 271 HG21 ILE 34 1HG2 ILE 34 35.719 -3.779 20.445 272 HG22 ILE 34 2HG2 ILE 34 35.077 -3.818 18.786 273 HG23 ILE 34 3HG2 ILE 34 34.260 -2.847 20.033 274 HD11 ILE 34 1HD1 ILE 34 34.483 -5.193 23.636 275 HD12 ILE 34 2HD1 ILE 34 35.218 -6.197 22.363 276 HD13 ILE 34 3HD1 ILE 34 35.556 -4.451 22.427 277 H HIS 35 H HIS 35 33.252 -6.688 17.591 278 HA HIS 35 HA HIS 35 34.448 -4.844 15.686 279 HB2 HIS 35 1HB HIS 35 33.714 -7.786 15.486 280 HB3 HIS 35 2HB HIS 35 34.543 -6.891 14.221 281 HD2 HIS 35 HD2 HIS 35 35.437 -9.012 17.194 282 HE1 HIS 35 HE1 HIS 35 38.831 -6.530 16.493 283 H GLU 36 H GLU 36 31.277 -6.226 16.170 284 HA GLU 36 HA GLU 36 30.318 -4.504 13.951 285 HB2 GLU 36 1HB GLU 36 30.554 -6.858 13.086 286 HB3 GLU 36 2HB GLU 36 29.419 -7.390 14.318 287 HG2 GLU 36 1HG GLU 36 27.666 -5.995 13.350 288 HG3 GLU 36 2HG GLU 36 28.799 -5.367 12.154 289 HA PRO 37 HA PRO 37 27.982 -3.997 17.885 290 HB2 PRO 37 1HB PRO 37 27.987 -1.181 16.767 291 HB3 PRO 37 2HB PRO 37 28.244 -1.720 18.432 292 HG2 PRO 37 1HG PRO 37 30.361 -0.965 16.998 293 HG3 PRO 37 2HG PRO 37 30.483 -2.403 18.017 294 HD2 PRO 37 1HD PRO 37 29.981 -2.222 15.014 295 HD3 PRO 37 2HD PRO 37 31.113 -3.310 15.913 296 H THR 38 H THR 38 25.765 -3.997 18.005 297 HA THR 38 HA THR 38 24.263 -3.165 15.559 298 HB THR 38 HB THR 38 23.457 -5.127 17.750 299 HG1 THR 38 HG1 THR 38 24.622 -5.352 15.233 300 HG21 THR 38 1HG2 THR 38 21.474 -5.532 16.346 301 HG22 THR 38 2HG2 THR 38 21.531 -3.839 16.891 302 HG23 THR 38 3HG2 THR 38 21.999 -4.254 15.226 303 H PHE 39 H PHE 39 23.000 -1.450 15.658 304 HA PHE 39 HA PHE 39 22.822 -0.117 18.309 305 HB2 PHE 39 1HB PHE 39 22.531 0.971 15.481 306 HB3 PHE 39 2HB PHE 39 22.327 1.932 16.937 307 HD1 PHE 39 HD1 PHE 39 24.745 0.078 14.869 308 HD2 PHE 39 HD2 PHE 39 24.208 2.661 18.230 309 HE1 PHE 39 HE1 PHE 39 27.176 0.527 14.910 310 HE2 PHE 39 HE2 PHE 39 26.638 3.114 18.272 311 HZ PHE 39 HZ PHE 39 28.122 2.045 16.612 312 H ARG 40 H ARG 40 20.988 -0.076 19.379 313 HA ARG 40 HA ARG 40 18.458 -0.528 17.870 314 HB2 ARG 40 1HB ARG 40 18.952 -2.091 19.733 315 HB3 ARG 40 2HB ARG 40 19.011 -0.737 20.850 316 HG2 ARG 40 1HG ARG 40 16.634 -0.250 20.369 317 HG3 ARG 40 2HG ARG 40 16.588 -1.665 19.290 318 HD2 ARG 40 1HD ARG 40 17.306 -1.737 22.211 319 HD3 ARG 40 2HD ARG 40 15.704 -2.111 21.534 320 HE ARG 40 HE ARG 40 18.106 -3.760 21.440 321 HH11 ARG 40 1HH1 ARG 40 14.907 -3.158 20.118 322 HH12 ARG 40 2HH1 ARG 40 14.715 -4.787 19.509 323 HH21 ARG 40 1HH2 ARG 40 17.845 -5.871 20.645 324 HH22 ARG 40 2HH2 ARG 40 16.378 -6.323 19.807 325 H PHE 41 H PHE 41 17.302 1.192 17.390 326 HA PHE 41 HA PHE 41 17.484 3.558 19.206 327 HB2 PHE 41 1HB PHE 41 17.105 3.306 16.218 328 HB3 PHE 41 2HB PHE 41 16.523 4.732 17.063 329 HD1 PHE 41 HD1 PHE 41 19.535 2.749 16.251 330 HD2 PHE 41 HD2 PHE 41 18.012 6.417 17.826 331 HE1 PHE 41 HE1 PHE 41 21.802 3.732 16.151 332 HE2 PHE 41 HE2 PHE 41 20.276 7.404 17.725 333 HZ PHE 41 HZ PHE 41 22.172 6.059 16.888 334 H ARG 42 H ARG 42 15.621 4.679 19.773 335 HA ARG 42 HA ARG 42 13.049 3.361 19.007 336 HB2 ARG 42 1HB ARG 42 13.548 2.972 21.381 337 HB3 ARG 42 2HB ARG 42 13.761 4.697 21.641 338 HG2 ARG 42 1HG ARG 42 11.414 5.108 21.188 339 HG3 ARG 42 2HG ARG 42 11.168 3.394 20.774 340 HD2 ARG 42 1HD ARG 42 10.410 3.876 23.015 341 HD3 ARG 42 2HD ARG 42 11.798 2.763 23.036 342 HE ARG 42 HE ARG 42 12.729 5.429 23.287 343 HH11 ARG 42 1HH1 ARG 42 10.970 2.981 25.091 344 HH12 ARG 42 2HH1 ARG 42 11.483 3.584 26.651 345 HH21 ARG 42 1HH2 ARG 42 13.387 6.202 25.318 346 HH22 ARG 42 2HH2 ARG 42 12.851 5.407 26.781 347 H VAL 43 H VAL 43 11.445 4.619 18.255 348 HA VAL 43 HA VAL 43 11.850 7.568 18.317 349 HB VAL 43 HB VAL 43 12.792 6.765 16.183 350 HG11 VAL 43 1HG1 VAL 43 11.385 5.634 14.531 351 HG12 VAL 43 2HG1 VAL 43 11.591 4.662 16.008 352 HG13 VAL 43 3HG1 VAL 43 10.067 5.536 15.722 353 HG21 VAL 43 1HG2 VAL 43 11.380 8.112 14.662 354 HG22 VAL 43 2HG2 VAL 43 10.067 8.090 15.863 355 HG23 VAL 43 3HG2 VAL 43 11.595 8.926 16.229 356 H SER 44 H SER 44 10.009 8.786 18.330 357 HA SER 44 HA SER 44 7.393 7.501 17.974 358 HB2 SER 44 1HB SER 44 7.991 6.868 20.280 359 HB3 SER 44 2HB SER 44 8.276 8.554 20.682 360 HG SER 44 HG SER 44 5.970 7.164 20.447 361 H PHE 45 H PHE 45 5.730 8.936 17.647 362 HA PHE 45 HA PHE 45 6.123 11.757 18.392 363 HB2 PHE 45 1HB PHE 45 5.642 12.637 16.178 364 HB3 PHE 45 2HB PHE 45 7.062 11.608 16.091 365 HD1 PHE 45 HD1 PHE 45 3.482 11.870 15.262 366 HD2 PHE 45 HD2 PHE 45 7.062 9.581 14.818 367 HE1 PHE 45 HE1 PHE 45 2.419 10.562 13.454 368 HE2 PHE 45 HE2 PHE 45 6.003 8.272 13.008 369 HZ PHE 45 HZ PHE 45 3.679 8.762 12.327 370 H LYS 46 H LYS 46 4.163 13.029 18.220 371 HA LYS 46 HA LYS 46 1.727 11.298 18.313 372 HB2 LYS 46 1HB LYS 46 2.378 13.838 19.856 373 HB3 LYS 46 2HB LYS 46 0.788 13.087 19.831 374 HG2 LYS 46 1HG LYS 46 1.757 11.030 20.823 375 HG3 LYS 46 2HG LYS 46 3.336 11.826 20.885 376 HD2 LYS 46 1HD LYS 46 2.384 13.594 22.339 377 HD3 LYS 46 2HD LYS 46 0.812 12.782 22.287 378 HE2 LYS 46 1HE LYS 46 1.796 10.783 23.341 379 HE3 LYS 46 2HE LYS 46 3.380 11.560 23.365 380 HZ1 LYS 46 1HZ LYS 46 2.274 11.748 25.470 381 HZ2 LYS 46 2HZ LYS 46 2.467 13.246 24.808 382 HZ3 LYS 46 3HZ LYS 46 0.986 12.519 24.786 383 H ASP 47 H ASP 47 0.700 11.483 16.451 384 HA ASP 47 HA ASP 47 0.684 14.064 15.028 385 HB2 ASP 47 1HB ASP 47 1.016 11.956 13.763 386 HB3 ASP 47 2HB ASP 47 -0.554 11.377 14.302 387 H LYS 48 H LYS 48 -0.579 15.455 16.187 388 HA LYS 48 HA LYS 48 -2.479 16.376 17.104 389 HB2 LYS 48 1HB LYS 48 -3.947 14.401 15.311 390 HB3 LYS 48 2HB LYS 48 -4.637 15.836 16.058 391 HG2 LYS 48 1HG LYS 48 -2.403 15.854 14.005 392 HG3 LYS 48 2HG LYS 48 -4.115 16.142 13.663 393 HD2 LYS 48 1HD LYS 48 -4.080 18.083 15.222 394 HD3 LYS 48 2HD LYS 48 -2.354 17.810 15.498 395 HE2 LYS 48 1HE LYS 48 -1.940 18.132 13.061 396 HE3 LYS 48 2HE LYS 48 -3.657 18.477 12.833 397 HZ1 LYS 48 1HZ LYS 48 -2.375 20.478 13.040 398 HZ2 LYS 48 2HZ LYS 48 -3.418 20.351 14.312 399 HZ3 LYS 48 3HZ LYS 48 -1.814 20.030 14.524 400 H ASP 49 H ASP 49 -1.397 14.875 18.891 401 HA ASP 49 HA ASP 49 -1.742 13.577 20.759 402 HB2 ASP 49 1HB ASP 49 -4.677 14.076 20.112 403 HB3 ASP 49 2HB ASP 49 -4.079 13.402 21.622 404 H THR 50 H THR 50 -1.309 12.236 18.308 405 HA THR 50 HA THR 50 -2.637 9.666 19.036 406 HB THR 50 HB THR 50 -2.002 10.562 16.191 407 HG1 THR 50 HG1 THR 50 -3.861 11.562 16.530 408 HG21 THR 50 1HG2 THR 50 -3.209 8.508 15.563 409 HG22 THR 50 2HG2 THR 50 -1.786 8.129 16.562 410 HG23 THR 50 3HG2 THR 50 -3.413 8.097 17.281 411 HA PRO 51 HA PRO 51 1.800 9.207 19.578 412 HB2 PRO 51 1HB PRO 51 0.735 6.725 20.969 413 HB3 PRO 51 2HB PRO 51 1.980 7.857 21.513 414 HG2 PRO 51 1HG PRO 51 -0.449 8.039 22.588 415 HG3 PRO 51 2HG PRO 51 0.397 9.522 22.135 416 HD2 PRO 51 1HD PRO 51 -1.795 8.030 20.635 417 HD3 PRO 51 2HD PRO 51 -1.608 9.809 20.907 418 H PHE 52 H PHE 52 2.899 8.423 17.854 419 HA PHE 52 HA PHE 52 2.403 5.555 17.166 420 HB2 PHE 52 1HB PHE 52 3.543 7.797 15.456 421 HB3 PHE 52 2HB PHE 52 3.632 6.100 15.012 422 HD1 PHE 52 HD1 PHE 52 1.517 9.040 15.242 423 HD2 PHE 52 HD2 PHE 52 1.566 4.831 14.511 424 HE1 PHE 52 HE1 PHE 52 -0.725 9.194 14.213 425 HE2 PHE 52 HE2 PHE 52 -0.676 4.982 13.479 426 HZ PHE 52 HZ PHE 52 -1.822 7.165 13.332 427 H THR 53 H THR 53 3.804 4.292 18.153 428 HA THR 53 HA THR 53 6.611 5.281 18.441 429 HB THR 53 HB THR 53 5.047 3.515 20.374 430 HG1 THR 53 HG1 THR 53 4.978 5.302 21.636 431 HG21 THR 53 1HG2 THR 53 7.057 3.690 21.788 432 HG22 THR 53 2HG2 THR 53 7.437 2.904 20.237 433 HG23 THR 53 3HG2 THR 53 7.885 4.604 20.506 434 H ALA 54 H ALA 54 8.223 4.010 17.789 435 HA ALA 54 HA ALA 54 7.767 1.141 17.373 436 HB1 ALA 54 1HB ALA 54 8.471 1.202 15.002 437 HB2 ALA 54 2HB ALA 54 6.948 2.086 15.261 438 HB3 ALA 54 3HB ALA 54 8.473 2.980 15.057 439 H MET 55 H MET 55 9.706 -0.044 16.878 440 HA MET 55 HA MET 55 12.202 1.479 17.465 441 HB2 MET 55 1HB MET 55 11.392 -1.184 18.693 442 HB3 MET 55 2HB MET 55 12.956 -0.410 18.896 443 HG2 MET 55 1HG MET 55 11.876 1.490 20.034 444 HG3 MET 55 2HG MET 55 10.300 0.723 19.822 445 HE1 MET 55 1HE MET 55 13.675 -0.756 22.607 446 HE2 MET 55 2HE MET 55 13.878 -0.691 20.838 447 HE3 MET 55 3HE MET 55 13.650 0.812 21.765 448 H GLY 56 H GLY 56 14.154 0.517 16.734 449 HA2 GLY 56 1HA GLY 56 14.011 -1.836 14.986 450 HA3 GLY 56 2HA GLY 56 14.258 -0.328 14.126 451 H ALA 57 H ALA 57 16.211 -2.082 13.821 452 HA ALA 57 HA ALA 57 18.479 -0.851 15.180 453 HB1 ALA 57 1HB ALA 57 19.371 -2.967 16.098 454 HB2 ALA 57 2HB ALA 57 17.827 -2.517 16.860 455 HB3 ALA 57 3HB ALA 57 17.871 -3.796 15.625 456 H GLY 58 H GLY 58 20.526 -1.468 14.303 457 HA2 GLY 58 1HA GLY 58 20.582 -3.163 11.910 458 HA3 GLY 58 2HA GLY 58 20.691 -1.448 11.560 459 H ARG 59 H ARG 59 22.821 -2.388 10.690 460 HA ARG 59 HA ARG 59 24.811 -3.146 12.688 461 HB2 ARG 59 1HB ARG 59 25.033 -2.610 9.707 462 HB3 ARG 59 2HB ARG 59 26.356 -3.179 10.713 463 HG2 ARG 59 1HG ARG 59 25.327 -5.273 11.083 464 HG3 ARG 59 2HG ARG 59 23.756 -4.697 10.475 465 HD2 ARG 59 1HD ARG 59 26.264 -4.931 8.831 466 HD3 ARG 59 2HD ARG 59 24.957 -6.136 8.893 467 HE ARG 59 HE ARG 59 23.780 -3.675 8.270 468 HH11 ARG 59 1HH1 ARG 59 26.094 -5.907 6.854 469 HH12 ARG 59 2HH1 ARG 59 25.692 -5.475 5.207 470 HH21 ARG 59 1HH2 ARG 59 23.267 -3.123 6.128 471 HH22 ARG 59 2HH2 ARG 59 24.092 -3.900 4.795 472 H SER 60 H SER 60 23.692 -0.224 11.259 473 HA SER 60 HA SER 60 25.882 1.206 12.683 474 HB2 SER 60 1HB SER 60 26.091 2.814 10.899 475 HB3 SER 60 2HB SER 60 26.343 1.207 10.236 476 HG SER 60 HG SER 60 24.762 1.534 8.996 477 H LYS 61 H LYS 61 25.334 3.539 13.040 478 HA LYS 61 HA LYS 61 22.860 3.749 14.421 479 HB2 LYS 61 1HB LYS 61 24.809 5.859 13.429 480 HB3 LYS 61 2HB LYS 61 23.392 6.250 14.394 481 HG2 LYS 61 1HG LYS 61 24.236 4.839 16.228 482 HG3 LYS 61 2HG LYS 61 25.655 4.425 15.256 483 HD2 LYS 61 1HD LYS 61 26.287 6.820 15.164 484 HD3 LYS 61 2HD LYS 61 24.874 7.225 16.149 485 HE2 LYS 61 1HE LYS 61 25.745 5.850 17.995 486 HE3 LYS 61 2HE LYS 61 27.137 5.387 17.013 487 HZ1 LYS 61 1HZ LYS 61 27.665 7.169 18.508 488 HZ2 LYS 61 2HZ LYS 61 27.786 7.696 16.949 489 HZ3 LYS 61 3HZ LYS 61 26.486 8.128 17.868 490 H LYS 62 H LYS 62 23.836 4.895 11.195 491 HA LYS 62 HA LYS 62 21.355 6.235 10.646 492 HB2 LYS 62 1HB LYS 62 23.538 5.146 8.832 493 HB3 LYS 62 2HB LYS 62 22.142 6.027 8.227 494 HG2 LYS 62 1HG LYS 62 22.795 7.997 9.551 495 HG3 LYS 62 2HG LYS 62 24.190 7.112 10.182 496 HD2 LYS 62 1HD LYS 62 25.059 6.844 7.876 497 HD3 LYS 62 2HD LYS 62 23.668 7.745 7.253 498 HE2 LYS 62 1HE LYS 62 24.352 9.725 8.552 499 HE3 LYS 62 2HE LYS 62 25.720 8.830 9.218 500 HZ1 LYS 62 1HZ LYS 62 26.373 10.197 7.376 501 HZ2 LYS 62 2HZ LYS 62 26.585 8.607 6.991 502 HZ3 LYS 62 3HZ LYS 62 25.307 9.443 6.368 503 H GLU 63 H GLU 63 22.582 2.991 9.807 504 HA GLU 63 HA GLU 63 20.299 2.175 8.316 505 HB2 GLU 63 1HB GLU 63 22.495 0.986 8.325 506 HB3 GLU 63 2HB GLU 63 22.194 0.461 9.975 507 HG2 GLU 63 1HG GLU 63 20.347 -0.901 9.296 508 HG3 GLU 63 2HG GLU 63 20.363 -0.221 7.671 509 H ALA 64 H ALA 64 21.063 1.935 11.782 510 HA ALA 64 HA ALA 64 18.755 0.426 12.503 511 HB1 ALA 64 1HB ALA 64 19.197 1.247 14.794 512 HB2 ALA 64 2HB ALA 64 20.685 0.686 13.997 513 HB3 ALA 64 3HB ALA 64 20.355 2.428 14.139 514 H LYS 65 H LYS 65 19.325 3.924 12.259 515 HA LYS 65 HA LYS 65 16.780 4.740 13.257 516 HB2 LYS 65 1HB LYS 65 18.725 6.050 11.324 517 HB3 LYS 65 2HB LYS 65 17.249 6.836 11.867 518 HG2 LYS 65 1HG LYS 65 18.023 6.735 14.194 519 HG3 LYS 65 2HG LYS 65 19.493 5.895 13.677 520 HD2 LYS 65 1HD LYS 65 19.934 7.909 12.150 521 HD3 LYS 65 2HD LYS 65 18.643 8.734 13.037 522 HE2 LYS 65 1HE LYS 65 19.897 8.234 15.172 523 HE3 LYS 65 2HE LYS 65 21.226 7.621 14.185 524 HZ1 LYS 65 1HZ LYS 65 21.561 9.902 14.796 525 HZ2 LYS 65 2HZ LYS 65 21.386 9.784 13.159 526 HZ3 LYS 65 3HZ LYS 65 20.146 10.358 14.083 527 H HIS 66 H HIS 66 17.881 3.864 9.997 528 HA HIS 66 HA HIS 66 15.414 4.470 8.657 529 HB2 HIS 66 1HB HIS 66 17.702 2.586 8.022 530 HB3 HIS 66 2HB HIS 66 16.295 2.736 6.980 531 HD2 HIS 66 HD2 HIS 66 19.695 4.190 7.132 532 HE1 HIS 66 HE1 HIS 66 17.286 7.294 5.480 533 H ALA 67 H ALA 67 16.632 1.543 10.262 534 HA ALA 67 HA ALA 67 14.439 -0.133 9.550 535 HB1 ALA 67 1HB ALA 67 15.166 -1.534 11.455 536 HB2 ALA 67 2HB ALA 67 16.543 -1.018 10.452 537 HB3 ALA 67 3HB ALA 67 16.227 -0.217 12.008 538 H ALA 68 H ALA 68 14.990 1.955 12.386 539 HA ALA 68 HA ALA 68 12.517 1.301 13.670 540 HB1 ALA 68 1HB ALA 68 12.918 3.352 14.994 541 HB2 ALA 68 2HB ALA 68 14.383 2.350 14.871 542 HB3 ALA 68 3HB ALA 68 14.219 3.812 13.871 543 H ALA 69 H ALA 69 13.448 3.921 11.444 544 HA ALA 69 HA ALA 69 10.918 5.239 11.485 545 HB1 ALA 69 1HB ALA 69 11.681 6.301 9.385 546 HB2 ALA 69 2HB ALA 69 12.953 6.312 10.629 547 HB3 ALA 69 3HB ALA 69 13.024 5.139 9.294 548 H ARG 70 H ARG 70 12.182 2.553 9.569 549 HA ARG 70 HA ARG 70 10.149 2.391 7.623 550 HB2 ARG 70 1HB ARG 70 12.274 1.021 7.741 551 HB3 ARG 70 2HB ARG 70 11.502 0.031 8.970 552 HG2 ARG 70 1HG ARG 70 10.164 0.411 6.307 553 HG3 ARG 70 2HG ARG 70 11.501 -0.749 6.499 554 HD2 ARG 70 1HD ARG 70 9.010 -0.699 8.184 555 HD3 ARG 70 2HD ARG 70 9.270 -1.744 6.769 556 HE ARG 70 HE ARG 70 11.447 -2.199 8.405 557 HH11 ARG 70 1HH1 ARG 70 7.957 -2.435 8.729 558 HH12 ARG 70 2HH1 ARG 70 8.028 -3.743 9.889 559 HH21 ARG 70 1HH2 ARG 70 11.526 -3.897 9.911 560 HH22 ARG 70 2HH2 ARG 70 10.047 -4.571 10.559 561 H ALA 71 H ALA 71 10.340 0.600 10.728 562 HA ALA 71 HA ALA 71 7.713 -0.486 10.525 563 HB1 ALA 71 1HB ALA 71 7.962 -0.984 12.935 564 HB2 ALA 71 2HB ALA 71 9.421 -1.424 12.016 565 HB3 ALA 71 3HB ALA 71 9.400 0.061 12.994 566 H LEU 72 H LEU 72 8.942 2.518 11.928 567 HA LEU 72 HA LEU 72 6.563 3.305 13.272 568 HB2 LEU 72 1HB LEU 72 8.746 4.393 13.608 569 HB3 LEU 72 2HB LEU 72 8.706 5.013 11.955 570 HG LEU 72 HG LEU 72 6.703 6.377 12.550 571 HD11 LEU 72 1HD1 LEU 72 6.107 6.617 14.919 572 HD12 LEU 72 2HD1 LEU 72 5.845 4.955 14.340 573 HD13 LEU 72 3HD1 LEU 72 7.267 5.336 15.341 574 HD21 LEU 72 1HD2 LEU 72 7.954 8.000 13.931 575 HD22 LEU 72 2HD2 LEU 72 9.141 6.739 14.340 576 HD23 LEU 72 3HD2 LEU 72 8.991 7.308 12.660 577 H ILE 73 H ILE 73 7.723 4.034 9.969 578 HA ILE 73 HA ILE 73 5.477 5.590 9.184 579 HB ILE 73 HB ILE 73 7.429 3.899 7.576 580 HG12 ILE 73 1HG1 ILE 73 7.187 6.903 7.772 581 HG13 ILE 73 2HG1 ILE 73 8.206 5.955 8.843 582 HG21 ILE 73 1HG2 ILE 73 6.565 5.059 5.583 583 HG22 ILE 73 2HG2 ILE 73 5.298 4.071 6.347 584 HG23 ILE 73 3HG2 ILE 73 5.308 5.835 6.575 585 HD11 ILE 73 1HD1 ILE 73 9.493 6.882 7.000 586 HD12 ILE 73 2HD1 ILE 73 9.465 5.104 6.913 587 HD13 ILE 73 3HD1 ILE 73 8.434 6.065 5.827 588 H ASP 74 H ASP 74 6.117 2.094 8.904 589 HA ASP 74 HA ASP 74 3.847 1.317 7.474 590 HB2 ASP 74 1HB ASP 74 5.345 -0.057 9.729 591 HB3 ASP 74 2HB ASP 74 4.010 -0.832 8.888 592 H LYS 75 H LYS 75 4.156 1.886 10.981 593 HA LYS 75 HA LYS 75 1.415 1.236 11.571 594 HB2 LYS 75 1HB LYS 75 3.481 2.895 13.064 595 HB3 LYS 75 2HB LYS 75 1.885 2.532 13.705 596 HG2 LYS 75 1HG LYS 75 2.405 0.106 13.576 597 HG3 LYS 75 2HG LYS 75 4.027 0.507 12.996 598 HD2 LYS 75 1HD LYS 75 4.409 1.823 15.089 599 HD3 LYS 75 2HD LYS 75 2.822 1.302 15.672 600 HE2 LYS 75 1HE LYS 75 3.581 -1.081 15.444 601 HE3 LYS 75 2HE LYS 75 5.188 -0.489 15.015 602 HZ1 LYS 75 1HZ LYS 75 5.034 -1.020 17.335 603 HZ2 LYS 75 2HZ LYS 75 5.295 0.598 17.151 604 HZ3 LYS 75 3HZ LYS 75 3.794 0.044 17.553 605 H LEU 76 H LEU 76 3.100 4.255 10.774 606 HA LEU 76 HA LEU 76 0.953 6.017 11.390 607 HB2 LEU 76 1HB LEU 76 3.200 6.852 11.058 608 HB3 LEU 76 2HB LEU 76 3.236 6.243 9.400 609 HG LEU 76 HG LEU 76 1.491 7.887 8.769 610 HD11 LEU 76 1HD1 LEU 76 0.875 9.652 10.360 611 HD12 LEU 76 2HD1 LEU 76 0.370 8.045 10.933 612 HD13 LEU 76 3HD1 LEU 76 1.806 8.829 11.634 613 HD21 LEU 76 1HD2 LEU 76 2.943 9.878 8.956 614 HD22 LEU 76 2HD2 LEU 76 3.905 9.059 10.211 615 HD23 LEU 76 3HD2 LEU 76 3.893 8.429 8.546 616 H ILE 77 H ILE 77 1.906 4.496 8.294 617 HA ILE 77 HA ILE 77 -0.426 5.726 6.980 618 HB ILE 77 HB ILE 77 0.512 4.846 4.903 619 HG12 ILE 77 1HG1 ILE 77 2.577 3.427 6.601 620 HG13 ILE 77 2HG1 ILE 77 1.195 2.647 5.848 621 HG21 ILE 77 1HG2 ILE 77 2.717 5.939 4.937 622 HG22 ILE 77 2HG2 ILE 77 1.509 6.911 5.808 623 HG23 ILE 77 3HG2 ILE 77 2.693 5.943 6.716 624 HD11 ILE 77 1HD1 ILE 77 3.209 2.331 4.524 625 HD12 ILE 77 2HD1 ILE 77 2.017 3.303 3.628 626 HD13 ILE 77 3HD1 ILE 77 3.418 4.092 4.390 627 H GLY 78 H GLY 78 0.396 2.790 8.533 628 HA2 GLY 78 1HA GLY 78 -0.999 0.988 9.030 629 HA3 GLY 78 2HA GLY 78 -2.285 1.760 8.122 630 H ALA 79 H ALA 79 0.985 0.878 6.998 631 HA ALA 79 HA ALA 79 0.079 -1.374 5.432 632 HB1 ALA 79 1HB ALA 79 0.382 -0.345 3.203 633 HB2 ALA 79 2HB ALA 79 -0.960 0.406 4.099 634 HB3 ALA 79 3HB ALA 79 0.605 1.242 3.975 635 H GLN 80 H GLN 80 1.741 -2.432 4.311 636 HA GLN 80 HA GLN 80 4.353 -1.990 5.511 637 HB2 GLN 80 1HB GLN 80 3.564 -4.270 5.111 638 HB3 GLN 80 2HB GLN 80 3.391 -3.951 3.391 639 HG2 GLN 80 1HG GLN 80 5.377 -5.214 3.708 640 HG3 GLN 80 2HG GLN 80 5.863 -3.548 3.283 641 HE21 GLN 80 1HE2 GLN 80 7.976 -3.325 6.010 642 HE22 GLN 80 2HE2 GLN 80 7.627 -2.969 4.350 643 H LEU 81 H LEU 81 5.957 -0.783 4.790 644 HA LEU 81 HA LEU 81 5.998 0.424 2.178 645 HB2 LEU 81 1HB LEU 81 8.212 -0.052 4.204 646 HB3 LEU 81 2HB LEU 81 8.385 0.931 2.746 647 HG LEU 81 HG LEU 81 6.472 1.519 5.034 648 HD11 LEU 81 1HD1 LEU 81 8.032 3.343 5.547 649 HD12 LEU 81 2HD1 LEU 81 8.812 1.750 5.693 650 HD13 LEU 81 3HD1 LEU 81 9.126 2.768 4.267 651 HD21 LEU 81 1HD2 LEU 81 6.199 3.681 3.866 652 HD22 LEU 81 2HD2 LEU 81 7.267 3.111 2.561 653 HD23 LEU 81 3HD2 LEU 81 5.693 2.325 2.830 654 HA PRO 82 HA PRO 82 7.238 -3.180 -0.098 655 HB2 PRO 82 1HB PRO 82 7.763 -0.996 -2.134 656 HB3 PRO 82 2HB PRO 82 6.883 -2.518 -2.333 657 HG2 PRO 82 1HG PRO 82 5.482 -0.263 -2.098 658 HG3 PRO 82 2HG PRO 82 4.938 -1.703 -1.234 659 HD2 PRO 82 1HD PRO 82 6.522 0.679 -0.180 660 HD3 PRO 82 2HD PRO 82 5.111 -0.170 0.570 661 H GLU 83 H GLU 83 9.239 -4.008 -0.808 662 HA GLU 83 HA GLU 83 11.597 -2.879 0.344 663 HB2 GLU 83 1HB GLU 83 11.280 -5.307 -0.148 664 HB3 GLU 83 2HB GLU 83 11.362 -4.958 -1.869 665 HG2 GLU 83 1HG GLU 83 13.662 -4.161 -1.621 666 HG3 GLU 83 2HG GLU 83 13.587 -4.444 0.117 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 3.527 10.056 -7.014 2 H2 ASN 1 2H ASN 1 4.022 9.992 -5.459 3 H3 ASN 1 3H ASN 1 3.393 11.374 -6.059 4 HA ASN 1 HA ASN 1 5.893 10.116 -6.864 5 HB2 ASN 1 1HB ASN 1 4.512 12.642 -7.823 6 HB3 ASN 1 2HB ASN 1 6.193 12.255 -8.162 7 HD21 ASN 1 1HD2 ASN 1 3.632 11.071 -10.779 8 HD22 ASN 1 2HD2 ASN 1 3.630 12.499 -9.798 9 H GLY 2 H GLY 2 7.782 11.240 -6.279 10 HA2 GLY 2 1HA GLY 2 8.876 13.052 -5.067 11 HA3 GLY 2 2HA GLY 2 7.439 13.231 -4.078 12 H LEU 3 H LEU 3 7.427 10.079 -4.159 13 HA LEU 3 HA LEU 3 9.074 9.821 -1.713 14 HB2 LEU 3 1HB LEU 3 7.063 7.926 -2.980 15 HB3 LEU 3 2HB LEU 3 7.889 7.660 -1.441 16 HG LEU 3 HG LEU 3 5.937 9.917 -2.021 17 HD11 LEU 3 1HD1 LEU 3 4.435 8.661 -0.540 18 HD12 LEU 3 2HD1 LEU 3 4.863 7.724 -1.991 19 HD13 LEU 3 3HD1 LEU 3 5.636 7.353 -0.431 20 HD21 LEU 3 1HD2 LEU 3 6.085 10.293 0.417 21 HD22 LEU 3 2HD2 LEU 3 7.310 9.007 0.541 22 HD23 LEU 3 3HD2 LEU 3 7.673 10.499 -0.360 23 H ALA 4 H ALA 4 10.642 8.253 -1.413 24 HA ALA 4 HA ALA 4 11.903 7.362 -3.941 25 HB1 ALA 4 1HB ALA 4 13.894 6.941 -2.535 26 HB2 ALA 4 2HB ALA 4 13.309 8.614 -2.366 27 HB3 ALA 4 3HB ALA 4 12.967 7.419 -1.094 28 H MET 5 H MET 5 12.210 5.297 -4.519 29 HA MET 5 HA MET 5 10.858 3.222 -2.930 30 HB2 MET 5 1HB MET 5 12.283 3.155 -5.615 31 HB3 MET 5 2HB MET 5 11.541 1.748 -4.868 32 HG2 MET 5 1HG MET 5 10.115 4.276 -5.742 33 HG3 MET 5 2HG MET 5 10.072 2.705 -6.547 34 HE1 MET 5 1HE MET 5 8.052 0.487 -4.072 35 HE2 MET 5 2HE MET 5 8.782 0.612 -5.692 36 HE3 MET 5 3HE MET 5 9.820 0.610 -4.245 37 H LYS 6 H LYS 6 14.096 4.340 -3.613 38 HA LYS 6 HA LYS 6 15.365 1.968 -2.470 39 HB2 LYS 6 1HB LYS 6 16.434 4.710 -3.237 40 HB3 LYS 6 2HB LYS 6 17.439 3.428 -2.576 41 HG2 LYS 6 1HG LYS 6 16.879 1.988 -4.499 42 HG3 LYS 6 2HG LYS 6 15.863 3.275 -5.162 43 HD2 LYS 6 1HD LYS 6 17.832 4.768 -5.288 44 HD3 LYS 6 2HD LYS 6 18.849 3.483 -4.621 45 HE2 LYS 6 1HE LYS 6 18.334 2.051 -6.560 46 HE3 LYS 6 2HE LYS 6 17.283 3.305 -7.222 47 HZ1 LYS 6 1HZ LYS 6 19.448 3.351 -8.222 48 HZ2 LYS 6 2HZ LYS 6 19.196 4.746 -7.377 49 HZ3 LYS 6 3HZ LYS 6 20.178 3.574 -6.760 50 H THR 7 H THR 7 14.065 4.961 -1.305 51 HA THR 7 HA THR 7 15.048 4.226 1.418 52 HB THR 7 HB THR 7 14.684 7.058 0.347 53 HG1 THR 7 HG1 THR 7 16.945 5.396 0.771 54 HG21 THR 7 1HG2 THR 7 15.672 7.722 2.504 55 HG22 THR 7 2HG2 THR 7 14.156 6.824 2.749 56 HG23 THR 7 3HG2 THR 7 15.719 6.019 3.013 57 HA PRO 8 HA PRO 8 10.503 4.012 1.444 58 HB2 PRO 8 1HB PRO 8 11.319 2.468 3.931 59 HB3 PRO 8 2HB PRO 8 10.068 2.081 2.743 60 HG2 PRO 8 1HG PRO 8 12.377 0.761 2.619 61 HG3 PRO 8 2HG PRO 8 11.640 1.334 1.119 62 HD2 PRO 8 1HD PRO 8 13.920 2.557 2.726 63 HD3 PRO 8 2HD PRO 8 13.769 2.353 0.934 64 H VAL 9 H VAL 9 12.939 4.892 3.830 65 HA VAL 9 HA VAL 9 11.277 5.879 5.898 66 HB VAL 9 HB VAL 9 14.041 6.784 4.987 67 HG11 VAL 9 1HG1 VAL 9 14.274 7.785 7.208 68 HG12 VAL 9 2HG1 VAL 9 12.976 8.553 6.264 69 HG13 VAL 9 3HG1 VAL 9 12.572 7.400 7.559 70 HG21 VAL 9 1HG2 VAL 9 14.797 5.381 6.880 71 HG22 VAL 9 2HG2 VAL 9 13.109 4.924 7.212 72 HG23 VAL 9 3HG2 VAL 9 13.885 4.421 5.691 73 H SER 10 H SER 10 12.029 7.169 2.760 74 HA SER 10 HA SER 10 11.594 9.933 3.253 75 HB2 SER 10 1HB SER 10 11.254 10.127 0.865 76 HB3 SER 10 2HB SER 10 12.561 8.993 1.170 77 HG SER 10 HG SER 10 11.230 7.326 0.764 78 H ILE 11 H ILE 11 9.389 7.253 3.031 79 HA ILE 11 HA ILE 11 6.984 8.703 2.525 80 HB ILE 11 HB ILE 11 7.508 6.120 4.047 81 HG12 ILE 11 1HG1 ILE 11 6.253 6.550 1.332 82 HG13 ILE 11 2HG1 ILE 11 7.969 6.255 1.565 83 HG21 ILE 11 1HG2 ILE 11 5.081 5.729 3.907 84 HG22 ILE 11 2HG2 ILE 11 5.442 7.170 4.886 85 HG23 ILE 11 3HG2 ILE 11 4.856 7.353 3.217 86 HD11 ILE 11 1HD1 ILE 11 6.797 4.205 0.986 87 HD12 ILE 11 2HD1 ILE 11 7.467 4.100 2.632 88 HD13 ILE 11 3HD1 ILE 11 5.728 4.398 2.394 89 H LEU 12 H LEU 12 8.482 7.692 5.619 90 HA LEU 12 HA LEU 12 6.678 9.060 7.320 91 HB2 LEU 12 1HB LEU 12 8.315 7.405 8.115 92 HB3 LEU 12 2HB LEU 12 9.641 8.494 7.697 93 HG LEU 12 HG LEU 12 8.804 10.112 9.406 94 HD11 LEU 12 1HD1 LEU 12 7.121 9.342 11.019 95 HD12 LEU 12 2HD1 LEU 12 6.453 9.451 9.373 96 HD13 LEU 12 3HD1 LEU 12 6.877 7.864 10.059 97 HD21 LEU 12 1HD2 LEU 12 9.542 8.764 11.342 98 HD22 LEU 12 2HD2 LEU 12 9.333 7.277 10.388 99 HD23 LEU 12 3HD2 LEU 12 10.574 8.465 9.923 100 H GLN 13 H GLN 13 9.710 10.150 5.794 101 HA GLN 13 HA GLN 13 9.850 12.681 7.063 102 HB2 GLN 13 1HB GLN 13 10.825 11.758 4.334 103 HB3 GLN 13 2HB GLN 13 11.201 13.337 5.009 104 HG2 GLN 13 1HG GLN 13 12.362 12.308 6.879 105 HG3 GLN 13 2HG GLN 13 11.920 10.685 6.277 106 HE21 GLN 13 1HE2 GLN 13 15.422 11.726 5.256 107 HE22 GLN 13 2HE2 GLN 13 14.583 11.783 6.770 108 H GLU 14 H GLU 14 8.219 11.675 4.065 109 HA GLU 14 HA GLU 14 7.357 14.322 3.348 110 HB2 GLU 14 1HB GLU 14 7.462 12.485 1.710 111 HB3 GLU 14 2HB GLU 14 6.231 11.594 2.594 112 HG2 GLU 14 1HG GLU 14 5.231 12.620 0.679 113 HG3 GLU 14 2HG GLU 14 4.610 13.404 2.130 114 H LEU 15 H LEU 15 5.794 11.643 5.105 115 HA LEU 15 HA LEU 15 3.253 12.884 5.396 116 HB2 LEU 15 1HB LEU 15 4.715 10.834 7.090 117 HB3 LEU 15 2HB LEU 15 3.050 11.334 7.405 118 HG LEU 15 HG LEU 15 3.987 10.061 4.811 119 HD11 LEU 15 1HD1 LEU 15 2.901 8.030 5.661 120 HD12 LEU 15 2HD1 LEU 15 4.263 8.528 6.692 121 HD13 LEU 15 3HD1 LEU 15 2.591 8.845 7.212 122 HD21 LEU 15 1HD2 LEU 15 1.559 9.770 4.448 123 HD22 LEU 15 2HD2 LEU 15 1.229 10.610 5.982 124 HD23 LEU 15 3HD2 LEU 15 1.978 11.491 4.629 125 H LEU 16 H LEU 16 6.152 12.946 7.467 126 HA LEU 16 HA LEU 16 4.853 14.499 9.539 127 HB2 LEU 16 1HB LEU 16 7.769 13.885 8.959 128 HB3 LEU 16 2HB LEU 16 7.218 14.779 10.380 129 HG LEU 16 HG LEU 16 6.474 11.907 9.721 130 HD11 LEU 16 1HD1 LEU 16 7.966 11.351 11.589 131 HD12 LEU 16 2HD1 LEU 16 8.841 12.159 10.267 132 HD13 LEU 16 3HD1 LEU 16 8.417 13.066 11.739 133 HD21 LEU 16 1HD2 LEU 16 5.559 11.920 12.017 134 HD22 LEU 16 2HD2 LEU 16 5.976 13.644 12.174 135 HD23 LEU 16 3HD2 LEU 16 4.744 13.130 10.996 136 H SER 17 H SER 17 6.757 15.222 6.671 137 HA SER 17 HA SER 17 7.200 17.998 7.241 138 HB2 SER 17 1HB SER 17 6.981 16.485 4.620 139 HB3 SER 17 2HB SER 17 7.466 18.169 4.742 140 HG SER 17 HG SER 17 8.738 15.869 5.682 141 H ARG 18 H ARG 18 4.571 16.235 5.622 142 HA ARG 18 HA ARG 18 3.113 18.590 4.846 143 HB2 ARG 18 1HB ARG 18 2.264 15.708 5.265 144 HB3 ARG 18 2HB ARG 18 1.172 16.957 4.686 145 HG2 ARG 18 1HG ARG 18 2.577 17.308 2.714 146 HG3 ARG 18 2HG ARG 18 3.723 16.081 3.307 147 HD2 ARG 18 1HD ARG 18 1.907 14.426 3.257 148 HD3 ARG 18 2HD ARG 18 0.842 15.663 2.550 149 HE ARG 18 HE ARG 18 3.269 15.394 1.051 150 HH11 ARG 18 1HH1 ARG 18 0.158 13.875 1.644 151 HH12 ARG 18 2HH1 ARG 18 0.091 13.109 0.072 152 HH21 ARG 18 1HH2 ARG 18 3.172 14.395 -0.986 153 HH22 ARG 18 2HH2 ARG 18 1.797 13.403 -1.417 154 H ARG 19 H ARG 19 3.082 16.506 7.715 155 HA ARG 19 HA ARG 19 0.796 17.893 8.887 156 HB2 ARG 19 1HB ARG 19 2.771 15.896 10.042 157 HB3 ARG 19 2HB ARG 19 1.384 16.531 10.914 158 HG2 ARG 19 1HG ARG 19 1.244 14.931 8.346 159 HG3 ARG 19 2HG ARG 19 0.964 14.303 9.988 160 HD2 ARG 19 1HD ARG 19 -0.607 16.525 8.707 161 HD3 ARG 19 2HD ARG 19 -1.097 14.815 8.748 162 HE ARG 19 HE ARG 19 -0.642 15.384 11.370 163 HH11 ARG 19 1HH1 ARG 19 -2.558 16.931 8.866 164 HH12 ARG 19 2HH1 ARG 19 -3.755 17.544 9.985 165 HH21 ARG 19 1HH2 ARG 19 -2.201 16.184 12.813 166 HH22 ARG 19 2HH2 ARG 19 -3.554 17.122 12.220 167 H GLY 20 H GLY 20 4.289 18.137 8.982 168 HA2 GLY 20 1HA GLY 20 5.551 19.968 9.751 169 HA3 GLY 20 2HA GLY 20 4.101 20.677 10.436 170 H ILE 21 H ILE 21 5.282 17.374 10.998 171 HA ILE 21 HA ILE 21 5.577 18.087 13.884 172 HB ILE 21 HB ILE 21 4.882 15.393 12.635 173 HG12 ILE 21 1HG1 ILE 21 3.055 16.995 12.439 174 HG13 ILE 21 2HG1 ILE 21 2.673 15.719 13.584 175 HG21 ILE 21 1HG2 ILE 21 4.495 14.687 14.962 176 HG22 ILE 21 2HG2 ILE 21 6.186 15.184 14.717 177 HG23 ILE 21 3HG2 ILE 21 5.049 16.277 15.540 178 HD11 ILE 21 1HD1 ILE 21 1.928 17.883 14.403 179 HD12 ILE 21 2HD1 ILE 21 3.203 17.221 15.455 180 HD13 ILE 21 3HD1 ILE 21 3.587 18.515 14.295 181 H THR 22 H THR 22 7.472 17.846 14.844 182 HA THR 22 HA THR 22 9.692 16.679 13.284 183 HB THR 22 HB THR 22 9.677 18.146 15.957 184 HG1 THR 22 HG1 THR 22 10.732 19.055 13.483 185 HG21 THR 22 1HG2 THR 22 12.121 18.249 15.659 186 HG22 THR 22 2HG2 THR 22 11.563 16.562 15.767 187 HG23 THR 22 3HG2 THR 22 11.987 17.260 14.187 188 HA PRO 23 HA PRO 23 9.209 12.945 15.562 189 HB2 PRO 23 1HB PRO 23 11.017 11.434 14.191 190 HB3 PRO 23 2HB PRO 23 9.475 11.905 13.467 191 HG2 PRO 23 1HG PRO 23 12.216 13.195 13.130 192 HG3 PRO 23 2HG PRO 23 11.057 12.748 11.875 193 HD2 PRO 23 1HD PRO 23 11.226 15.304 12.856 194 HD3 PRO 23 2HD PRO 23 9.662 14.590 12.293 195 H GLY 24 H GLY 24 10.365 11.853 17.183 196 HA2 GLY 24 1HA GLY 24 13.069 12.974 17.832 197 HA3 GLY 24 2HA GLY 24 11.919 12.421 19.034 198 H TYR 25 H TYR 25 14.687 11.556 18.546 199 HA TYR 25 HA TYR 25 14.114 8.652 18.140 200 HB2 TYR 25 1HB TYR 25 16.565 10.234 17.274 201 HB3 TYR 25 2HB TYR 25 16.515 8.478 17.332 202 HD1 TYR 25 HD1 TYR 25 15.262 11.482 15.624 203 HD2 TYR 25 HD2 TYR 25 15.255 7.192 15.718 204 HE1 TYR 25 HE1 TYR 25 14.304 11.433 13.346 205 HE2 TYR 25 HE2 TYR 25 14.297 7.144 13.441 206 HH TYR 25 HH TYR 25 13.613 10.151 11.668 207 H GLU 26 H GLU 26 15.289 7.178 19.393 208 HA GLU 26 HA GLU 26 16.760 8.326 21.701 209 HB2 GLU 26 1HB GLU 26 14.399 8.178 22.421 210 HB3 GLU 26 2HB GLU 26 14.347 6.484 21.955 211 HG2 GLU 26 1HG GLU 26 16.005 5.932 23.660 212 HG3 GLU 26 2HG GLU 26 16.149 7.633 24.097 213 H LEU 27 H LEU 27 18.473 7.171 22.268 214 HA LEU 27 HA LEU 27 19.104 4.695 20.908 215 HB2 LEU 27 1HB LEU 27 20.857 6.260 21.587 216 HB3 LEU 27 2HB LEU 27 20.397 6.083 23.283 217 HG LEU 27 HG LEU 27 21.084 3.678 23.172 218 HD11 LEU 27 1HD1 LEU 27 22.415 2.939 21.247 219 HD12 LEU 27 2HD1 LEU 27 20.748 3.344 20.776 220 HD13 LEU 27 3HD1 LEU 27 22.073 4.476 20.419 221 HD21 LEU 27 1HD2 LEU 27 23.506 4.171 23.142 222 HD22 LEU 27 2HD2 LEU 27 23.180 5.727 22.342 223 HD23 LEU 27 3HD2 LEU 27 22.604 5.442 24.002 224 H VAL 28 H VAL 28 18.394 2.747 21.371 225 HA VAL 28 HA VAL 28 17.065 2.297 23.969 226 HB VAL 28 HB VAL 28 17.256 0.563 21.469 227 HG11 VAL 28 1HG1 VAL 28 15.502 -0.796 22.500 228 HG12 VAL 28 2HG1 VAL 28 17.003 -0.807 23.456 229 HG13 VAL 28 3HG1 VAL 28 15.619 0.181 23.983 230 HG21 VAL 28 1HG2 VAL 28 14.885 1.209 21.174 231 HG22 VAL 28 2HG2 VAL 28 14.991 2.249 22.615 232 HG23 VAL 28 3HG2 VAL 28 15.947 2.637 21.164 233 H GLN 29 H GLN 29 19.505 0.638 21.925 234 HA GLN 29 HA GLN 29 21.098 -0.168 24.186 235 HB2 GLN 29 1HB GLN 29 19.164 -1.672 24.566 236 HB3 GLN 29 2HB GLN 29 19.323 -2.302 22.933 237 HG2 GLN 29 1HG GLN 29 21.507 -3.233 23.461 238 HG3 GLN 29 2HG GLN 29 21.417 -2.537 25.103 239 HE21 GLN 29 1HE2 GLN 29 20.431 -5.897 25.806 240 HE22 GLN 29 2HE2 GLN 29 21.817 -4.872 25.634 241 H ILE 30 H ILE 30 23.087 -0.715 23.555 242 HA ILE 30 HA ILE 30 23.447 -1.452 20.682 243 HB ILE 30 HB ILE 30 25.432 -0.149 22.596 244 HG12 ILE 30 1HG1 ILE 30 24.092 1.010 20.144 245 HG13 ILE 30 2HG1 ILE 30 23.550 1.296 21.790 246 HG21 ILE 30 1HG2 ILE 30 26.874 0.033 20.609 247 HG22 ILE 30 2HG2 ILE 30 26.523 -1.669 20.990 248 HG23 ILE 30 3HG2 ILE 30 25.674 -0.864 19.650 249 HD11 ILE 30 1HD1 ILE 30 24.920 3.137 20.986 250 HD12 ILE 30 2HD1 ILE 30 25.720 2.307 22.343 251 HD13 ILE 30 3HD1 ILE 30 26.269 2.019 20.675 252 H GLU 31 H GLU 31 23.896 -3.492 20.310 253 HA GLU 31 HA GLU 31 25.722 -4.959 22.082 254 HB2 GLU 31 1HB GLU 31 24.156 -6.788 22.538 255 HB3 GLU 31 2HB GLU 31 23.540 -5.280 23.200 256 HG2 GLU 31 1HG GLU 31 22.028 -5.046 21.274 257 HG3 GLU 31 2HG GLU 31 22.648 -6.553 20.604 258 H GLY 32 H GLY 32 26.573 -6.837 21.175 259 HA2 GLY 32 1HA GLY 32 26.026 -8.411 19.111 260 HA3 GLY 32 2HA GLY 32 26.285 -6.927 18.214 261 H ALA 33 H ALA 33 28.157 -7.398 17.158 262 HA ALA 33 HA ALA 33 30.397 -8.631 18.586 263 HB1 ALA 33 1HB ALA 33 31.549 -8.487 16.402 264 HB2 ALA 33 2HB ALA 33 29.948 -9.250 16.254 265 HB3 ALA 33 3HB ALA 33 30.178 -7.560 15.749 266 H ILE 34 H ILE 34 32.543 -7.721 18.631 267 HA ILE 34 HA ILE 34 32.581 -5.065 19.683 268 HB ILE 34 HB ILE 34 34.810 -6.912 18.746 269 HG12 ILE 34 1HG1 ILE 34 34.010 -6.084 21.541 270 HG13 ILE 34 2HG1 ILE 34 33.407 -7.532 20.748 271 HG21 ILE 34 1HG2 ILE 34 36.357 -5.376 19.889 272 HG22 ILE 34 2HG2 ILE 34 35.541 -4.568 18.531 273 HG23 ILE 34 3HG2 ILE 34 35.015 -4.249 20.200 274 HD11 ILE 34 1HD1 ILE 34 35.273 -8.049 22.219 275 HD12 ILE 34 2HD1 ILE 34 35.703 -8.379 20.523 276 HD13 ILE 34 3HD1 ILE 34 36.313 -6.914 21.328 277 H HIS 35 H HIS 35 33.604 -6.396 16.535 278 HA HIS 35 HA HIS 35 34.297 -3.705 15.551 279 HB2 HIS 35 1HB HIS 35 34.988 -4.831 13.521 280 HB3 HIS 35 2HB HIS 35 35.653 -5.684 14.907 281 HD2 HIS 35 HD2 HIS 35 33.718 -6.472 11.756 282 HE1 HIS 35 HE1 HIS 35 33.080 -9.766 14.385 283 H GLU 36 H GLU 36 31.544 -5.751 15.661 284 HA GLU 36 HA GLU 36 30.099 -3.850 13.907 285 HB2 GLU 36 1HB GLU 36 30.850 -5.803 12.493 286 HB3 GLU 36 2HB GLU 36 29.916 -6.866 13.536 287 HG2 GLU 36 1HG GLU 36 27.854 -5.735 12.905 288 HG3 GLU 36 2HG GLU 36 28.758 -4.577 11.932 289 HA PRO 37 HA PRO 37 27.659 -5.057 17.596 290 HB2 PRO 37 1HB PRO 37 27.306 -2.570 18.653 291 HB3 PRO 37 2HB PRO 37 28.772 -3.506 18.974 292 HG2 PRO 37 1HG PRO 37 28.327 -1.298 16.920 293 HG3 PRO 37 2HG PRO 37 29.663 -1.478 18.061 294 HD2 PRO 37 1HD PRO 37 29.850 -2.310 15.453 295 HD3 PRO 37 2HD PRO 37 30.717 -3.153 16.798 296 H THR 38 H THR 38 25.407 -4.845 17.721 297 HA THR 38 HA THR 38 24.129 -3.451 15.438 298 HB THR 38 HB THR 38 22.985 -5.418 17.468 299 HG1 THR 38 HG1 THR 38 23.717 -5.679 14.716 300 HG21 THR 38 1HG2 THR 38 21.029 -5.475 15.972 301 HG22 THR 38 2HG2 THR 38 21.282 -3.839 16.627 302 HG23 THR 38 3HG2 THR 38 21.763 -4.213 14.956 303 H PHE 39 H PHE 39 22.895 -1.700 15.597 304 HA PHE 39 HA PHE 39 22.692 -0.490 18.311 305 HB2 PHE 39 1HB PHE 39 22.564 0.767 15.542 306 HB3 PHE 39 2HB PHE 39 22.331 1.650 17.043 307 HD1 PHE 39 HD1 PHE 39 24.784 -0.311 15.079 308 HD2 PHE 39 HD2 PHE 39 24.165 2.375 18.343 309 HE1 PHE 39 HE1 PHE 39 27.225 0.045 15.247 310 HE2 PHE 39 HE2 PHE 39 26.605 2.735 18.513 311 HZ PHE 39 HZ PHE 39 28.135 1.567 16.965 312 H ARG 40 H ARG 40 20.809 -0.305 19.289 313 HA ARG 40 HA ARG 40 18.339 -0.615 17.645 314 HB2 ARG 40 1HB ARG 40 18.744 -0.960 20.635 315 HB3 ARG 40 2HB ARG 40 17.220 -1.165 19.785 316 HG2 ARG 40 1HG ARG 40 18.243 -3.028 18.482 317 HG3 ARG 40 2HG ARG 40 19.710 -2.858 19.476 318 HD2 ARG 40 1HD ARG 40 18.275 -3.198 21.483 319 HD3 ARG 40 2HD ARG 40 16.940 -3.595 20.376 320 HE ARG 40 HE ARG 40 19.268 -5.224 21.011 321 HH11 ARG 40 1HH1 ARG 40 16.615 -4.656 18.780 322 HH12 ARG 40 2HH1 ARG 40 16.625 -6.290 18.155 323 HH21 ARG 40 1HH2 ARG 40 19.272 -7.342 20.193 324 HH22 ARG 40 2HH2 ARG 40 18.128 -7.811 18.954 325 H PHE 41 H PHE 41 17.209 1.136 17.220 326 HA PHE 41 HA PHE 41 17.275 3.365 19.211 327 HB2 PHE 41 1HB PHE 41 17.565 3.435 16.207 328 HB3 PHE 41 2HB PHE 41 16.829 4.797 17.038 329 HD1 PHE 41 HD1 PHE 41 19.905 2.744 16.811 330 HD2 PHE 41 HD2 PHE 41 18.136 6.369 18.217 331 HE1 PHE 41 HE1 PHE 41 22.151 3.635 17.334 332 HE2 PHE 41 HE2 PHE 41 20.381 7.265 18.739 333 HZ PHE 41 HZ PHE 41 22.389 5.896 18.298 334 H ARG 42 H ARG 42 15.394 4.628 19.403 335 HA ARG 42 HA ARG 42 12.957 3.360 18.220 336 HB2 ARG 42 1HB ARG 42 13.127 3.063 20.680 337 HB3 ARG 42 2HB ARG 42 13.214 4.806 20.880 338 HG2 ARG 42 1HG ARG 42 10.960 5.071 20.029 339 HG3 ARG 42 2HG ARG 42 10.864 3.330 19.669 340 HD2 ARG 42 1HD ARG 42 9.726 3.718 21.701 341 HD3 ARG 42 2HD ARG 42 11.258 2.901 22.088 342 HE ARG 42 HE ARG 42 12.052 4.851 23.090 343 HH11 ARG 42 1HH1 ARG 42 8.889 5.362 21.649 344 HH12 ARG 42 2HH1 ARG 42 8.611 6.870 22.489 345 HH21 ARG 42 1HH2 ARG 42 11.679 6.811 24.175 346 HH22 ARG 42 2HH2 ARG 42 10.190 7.692 23.919 347 H VAL 43 H VAL 43 11.392 4.649 17.353 348 HA VAL 43 HA VAL 43 12.001 7.576 17.275 349 HB VAL 43 HB VAL 43 12.467 6.468 15.095 350 HG11 VAL 43 1HG1 VAL 43 10.635 5.505 13.791 351 HG12 VAL 43 2HG1 VAL 43 10.935 4.596 15.291 352 HG13 VAL 43 3HG1 VAL 43 9.543 5.700 15.182 353 HG21 VAL 43 1HG2 VAL 43 11.047 7.951 13.714 354 HG22 VAL 43 2HG2 VAL 43 9.974 8.220 15.108 355 HG23 VAL 43 3HG2 VAL 43 11.656 8.801 15.153 356 H SER 44 H SER 44 10.314 8.996 17.467 357 HA SER 44 HA SER 44 7.586 7.941 17.818 358 HB2 SER 44 1HB SER 44 8.587 7.533 20.010 359 HB3 SER 44 2HB SER 44 9.161 9.191 20.092 360 HG SER 44 HG SER 44 6.460 8.576 19.695 361 H PHE 45 H PHE 45 5.998 9.469 17.605 362 HA PHE 45 HA PHE 45 6.665 12.299 17.979 363 HB2 PHE 45 1HB PHE 45 6.077 13.068 15.803 364 HB3 PHE 45 2HB PHE 45 7.231 11.768 15.554 365 HD1 PHE 45 HD1 PHE 45 3.763 12.837 15.152 366 HD2 PHE 45 HD2 PHE 45 6.520 9.613 14.647 367 HE1 PHE 45 HE1 PHE 45 2.153 11.696 13.663 368 HE2 PHE 45 HE2 PHE 45 4.914 8.470 13.155 369 HZ PHE 45 HZ PHE 45 2.729 9.512 12.664 370 H LYS 46 H LYS 46 4.766 13.691 17.916 371 HA LYS 46 HA LYS 46 2.348 12.142 18.733 372 HB2 LYS 46 1HB LYS 46 3.361 13.555 20.506 373 HB3 LYS 46 2HB LYS 46 3.187 14.973 19.480 374 HG2 LYS 46 1HG LYS 46 0.746 14.752 19.542 375 HG3 LYS 46 2HG LYS 46 0.892 13.285 20.520 376 HD2 LYS 46 1HD LYS 46 2.015 14.578 22.303 377 HD3 LYS 46 2HD LYS 46 1.880 16.047 21.324 378 HE2 LYS 46 1HE LYS 46 -0.586 15.847 21.364 379 HE3 LYS 46 2HE LYS 46 -0.453 14.383 22.342 380 HZ1 LYS 46 1HZ LYS 46 -0.881 16.306 23.686 381 HZ2 LYS 46 2HZ LYS 46 0.605 15.691 24.052 382 HZ3 LYS 46 3HZ LYS 46 0.480 17.059 23.139 383 H ASP 47 H ASP 47 0.478 12.369 17.713 384 HA ASP 47 HA ASP 47 -0.287 14.780 16.344 385 HB2 ASP 47 1HB ASP 47 1.433 13.617 14.755 386 HB3 ASP 47 2HB ASP 47 0.149 12.454 14.457 387 H LYS 48 H LYS 48 -2.401 14.647 15.373 388 HA LYS 48 HA LYS 48 -4.622 14.072 15.589 389 HB2 LYS 48 1HB LYS 48 -3.506 11.246 15.380 390 HB3 LYS 48 2HB LYS 48 -5.185 11.704 15.132 391 HG2 LYS 48 1HG LYS 48 -4.502 13.104 13.198 392 HG3 LYS 48 2HG LYS 48 -2.830 12.576 13.434 393 HD2 LYS 48 1HD LYS 48 -3.543 10.217 13.112 394 HD3 LYS 48 2HD LYS 48 -5.202 10.769 12.836 395 HE2 LYS 48 1HE LYS 48 -4.454 12.074 10.881 396 HE3 LYS 48 2HE LYS 48 -2.789 11.559 11.162 397 HZ1 LYS 48 1HZ LYS 48 -3.851 10.234 9.487 398 HZ2 LYS 48 2HZ LYS 48 -3.488 9.293 10.793 399 HZ3 LYS 48 3HZ LYS 48 -5.044 9.774 10.529 400 H ASP 49 H ASP 49 -3.152 14.472 18.025 401 HA ASP 49 HA ASP 49 -3.488 14.262 20.293 402 HB2 ASP 49 1HB ASP 49 -6.185 13.183 19.378 403 HB3 ASP 49 2HB ASP 49 -5.796 13.633 21.032 404 H THR 50 H THR 50 -2.231 12.058 18.846 405 HA THR 50 HA THR 50 -2.314 10.210 21.124 406 HB THR 50 HB THR 50 -4.024 9.226 19.621 407 HG1 THR 50 HG1 THR 50 -1.605 7.712 19.548 408 HG21 THR 50 1HG2 THR 50 -3.344 8.346 17.422 409 HG22 THR 50 2HG2 THR 50 -3.159 10.115 17.484 410 HG23 THR 50 3HG2 THR 50 -1.731 9.065 17.628 411 HA PRO 51 HA PRO 51 1.917 10.209 20.102 412 HB2 PRO 51 1HB PRO 51 2.834 8.312 21.831 413 HB3 PRO 51 2HB PRO 51 2.207 9.861 22.411 414 HG2 PRO 51 1HG PRO 51 0.782 7.172 22.223 415 HG3 PRO 51 2HG PRO 51 0.838 8.286 23.592 416 HD2 PRO 51 1HD PRO 51 -1.266 8.251 21.835 417 HD3 PRO 51 2HD PRO 51 -0.713 9.773 22.643 418 H PHE 52 H PHE 52 3.326 9.129 18.740 419 HA PHE 52 HA PHE 52 2.644 6.300 18.052 420 HB2 PHE 52 1HB PHE 52 3.898 8.421 16.263 421 HB3 PHE 52 2HB PHE 52 3.653 6.739 15.820 422 HD1 PHE 52 HD1 PHE 52 2.027 9.965 16.421 423 HD2 PHE 52 HD2 PHE 52 1.442 5.880 15.317 424 HE1 PHE 52 HE1 PHE 52 -0.238 10.514 15.597 425 HE2 PHE 52 HE2 PHE 52 -0.823 6.425 14.490 426 HZ PHE 52 HZ PHE 52 -1.664 8.744 14.632 427 H THR 53 H THR 53 4.290 4.821 17.873 428 HA THR 53 HA THR 53 7.062 5.679 18.331 429 HB THR 53 HB THR 53 6.155 5.578 20.642 430 HG1 THR 53 HG1 THR 53 7.871 3.372 20.044 431 HG21 THR 53 1HG2 THR 53 5.442 3.408 21.565 432 HG22 THR 53 2HG2 THR 53 4.370 3.918 20.240 433 HG23 THR 53 3HG2 THR 53 5.601 2.666 19.956 434 H ALA 54 H ALA 54 8.578 4.193 17.717 435 HA ALA 54 HA ALA 54 7.848 1.397 17.365 436 HB1 ALA 54 1HB ALA 54 8.401 1.301 14.956 437 HB2 ALA 54 2HB ALA 54 6.972 2.317 15.265 438 HB3 ALA 54 3HB ALA 54 8.546 3.074 14.927 439 H MET 55 H MET 55 9.636 0.025 16.933 440 HA MET 55 HA MET 55 12.241 1.356 17.541 441 HB2 MET 55 1HB MET 55 11.241 0.304 19.571 442 HB3 MET 55 2HB MET 55 11.192 -1.241 18.735 443 HG2 MET 55 1HG MET 55 13.656 -1.216 18.550 444 HG3 MET 55 2HG MET 55 13.698 0.328 19.406 445 HE1 MET 55 1HE MET 55 12.313 -0.667 22.947 446 HE2 MET 55 2HE MET 55 12.960 0.649 21.936 447 HE3 MET 55 3HE MET 55 11.371 -0.062 21.564 448 H GLY 56 H GLY 56 13.934 0.780 16.371 449 HA2 GLY 56 1HA GLY 56 13.772 -1.752 14.790 450 HA3 GLY 56 2HA GLY 56 14.154 -0.244 13.981 451 H ALA 57 H ALA 57 16.068 -1.806 13.511 452 HA ALA 57 HA ALA 57 18.297 -0.923 15.169 453 HB1 ALA 57 1HB ALA 57 19.121 -3.199 15.680 454 HB2 ALA 57 2HB ALA 57 17.555 -2.874 16.460 455 HB3 ALA 57 3HB ALA 57 17.628 -3.884 14.998 456 H GLY 58 H GLY 58 20.358 -1.348 14.249 457 HA2 GLY 58 1HA GLY 58 20.494 -2.583 11.589 458 HA3 GLY 58 2HA GLY 58 20.634 -0.835 11.570 459 H ARG 59 H ARG 59 22.789 -1.589 10.624 460 HA ARG 59 HA ARG 59 24.702 -2.717 12.531 461 HB2 ARG 59 1HB ARG 59 25.023 -1.700 9.688 462 HB3 ARG 59 2HB ARG 59 26.317 -2.426 10.630 463 HG2 ARG 59 1HG ARG 59 25.269 -4.551 10.635 464 HG3 ARG 59 2HG ARG 59 23.731 -3.875 10.046 465 HD2 ARG 59 1HD ARG 59 26.321 -3.865 8.514 466 HD3 ARG 59 2HD ARG 59 25.016 -5.058 8.321 467 HE ARG 59 HE ARG 59 23.861 -2.528 8.031 468 HH11 ARG 59 1HH1 ARG 59 26.263 -4.511 6.406 469 HH12 ARG 59 2HH1 ARG 59 25.946 -3.823 4.829 470 HH21 ARG 59 1HH2 ARG 59 23.459 -1.642 5.979 471 HH22 ARG 59 2HH2 ARG 59 24.360 -2.199 4.586 472 H SER 60 H SER 60 23.615 0.402 11.615 473 HA SER 60 HA SER 60 25.786 1.576 13.279 474 HB2 SER 60 1HB SER 60 26.081 3.422 11.756 475 HB3 SER 60 2HB SER 60 26.334 1.924 10.874 476 HG SER 60 HG SER 60 24.812 2.473 9.639 477 H LYS 61 H LYS 61 25.251 3.861 13.925 478 HA LYS 61 HA LYS 61 22.734 3.909 15.248 479 HB2 LYS 61 1HB LYS 61 24.722 6.122 14.618 480 HB3 LYS 61 2HB LYS 61 23.291 6.369 15.610 481 HG2 LYS 61 1HG LYS 61 24.106 4.686 17.218 482 HG3 LYS 61 2HG LYS 61 25.544 4.433 16.219 483 HD2 LYS 61 1HD LYS 61 26.168 6.810 16.514 484 HD3 LYS 61 2HD LYS 61 24.730 7.061 17.515 485 HE2 LYS 61 1HE LYS 61 25.562 5.422 19.152 486 HE3 LYS 61 2HE LYS 61 26.978 5.112 18.144 487 HZ1 LYS 61 1HZ LYS 61 27.467 6.647 19.903 488 HZ2 LYS 61 2HZ LYS 61 27.623 7.403 18.446 489 HZ3 LYS 61 3HZ LYS 61 26.301 7.693 19.388 490 H LYS 62 H LYS 62 23.833 5.479 12.248 491 HA LYS 62 HA LYS 62 21.379 6.900 11.793 492 HB2 LYS 62 1HB LYS 62 23.552 7.473 10.709 493 HB3 LYS 62 2HB LYS 62 23.474 5.982 9.782 494 HG2 LYS 62 1HG LYS 62 21.464 6.753 8.631 495 HG3 LYS 62 2HG LYS 62 21.435 8.221 9.620 496 HD2 LYS 62 1HD LYS 62 23.742 8.763 8.722 497 HD3 LYS 62 2HD LYS 62 23.556 7.404 7.604 498 HE2 LYS 62 1HE LYS 62 21.602 9.723 7.784 499 HE3 LYS 62 2HE LYS 62 22.945 9.653 6.640 500 HZ1 LYS 62 1HZ LYS 62 20.910 8.888 5.659 501 HZ2 LYS 62 2HZ LYS 62 21.992 7.646 5.733 502 HZ3 LYS 62 3HZ LYS 62 20.737 7.712 6.801 503 H GLU 63 H GLU 63 22.628 3.798 10.536 504 HA GLU 63 HA GLU 63 20.382 3.227 8.883 505 HB2 GLU 63 1HB GLU 63 22.582 2.052 8.755 506 HB3 GLU 63 2HB GLU 63 22.245 1.273 10.295 507 HG2 GLU 63 1HG GLU 63 20.412 0.041 9.365 508 HG3 GLU 63 2HG GLU 63 20.478 0.962 7.864 509 H ALA 64 H ALA 64 21.056 2.499 12.294 510 HA ALA 64 HA ALA 64 18.775 0.850 12.731 511 HB1 ALA 64 1HB ALA 64 19.125 1.366 15.125 512 HB2 ALA 64 2HB ALA 64 20.653 0.960 14.308 513 HB3 ALA 64 3HB ALA 64 20.262 2.657 14.672 514 H LYS 65 H LYS 65 19.242 4.365 13.015 515 HA LYS 65 HA LYS 65 16.627 4.978 13.961 516 HB2 LYS 65 1HB LYS 65 18.625 6.563 12.310 517 HB3 LYS 65 2HB LYS 65 17.089 7.238 12.835 518 HG2 LYS 65 1HG LYS 65 17.717 6.889 15.186 519 HG3 LYS 65 2HG LYS 65 19.251 6.171 14.674 520 HD2 LYS 65 1HD LYS 65 19.856 8.299 13.544 521 HD3 LYS 65 2HD LYS 65 18.334 9.013 14.095 522 HE2 LYS 65 1HE LYS 65 19.009 8.673 16.442 523 HE3 LYS 65 2HE LYS 65 20.517 7.924 15.911 524 HZ1 LYS 65 1HZ LYS 65 20.825 10.220 16.477 525 HZ2 LYS 65 2HZ LYS 65 21.114 10.000 14.868 526 HZ3 LYS 65 3HZ LYS 65 19.706 10.701 15.365 527 H HIS 66 H HIS 66 17.905 4.531 10.679 528 HA HIS 66 HA HIS 66 15.471 5.236 9.312 529 HB2 HIS 66 1HB HIS 66 17.820 3.488 8.506 530 HB3 HIS 66 2HB HIS 66 16.483 3.872 7.432 531 HD2 HIS 66 HD2 HIS 66 19.948 5.170 7.692 532 HE1 HIS 66 HE1 HIS 66 17.567 8.645 7.139 533 H ALA 67 H ALA 67 16.764 2.159 10.539 534 HA ALA 67 HA ALA 67 14.673 0.513 9.530 535 HB1 ALA 67 1HB ALA 67 15.380 -1.093 11.273 536 HB2 ALA 67 2HB ALA 67 16.774 -0.401 10.410 537 HB3 ALA 67 3HB ALA 67 16.358 0.180 12.038 538 H ALA 68 H ALA 68 15.004 2.271 12.610 539 HA ALA 68 HA ALA 68 12.507 1.435 13.703 540 HB1 ALA 68 1HB ALA 68 12.719 3.427 15.154 541 HB2 ALA 68 2HB ALA 68 14.246 2.520 15.054 542 HB3 ALA 68 3HB ALA 68 14.043 4.025 14.128 543 H ALA 69 H ALA 69 13.386 4.156 11.597 544 HA ALA 69 HA ALA 69 10.829 5.404 11.586 545 HB1 ALA 69 1HB ALA 69 11.585 6.461 9.481 546 HB2 ALA 69 2HB ALA 69 12.849 6.508 10.734 547 HB3 ALA 69 3HB ALA 69 12.952 5.325 9.410 548 H ARG 70 H ARG 70 12.198 2.814 9.579 549 HA ARG 70 HA ARG 70 9.970 2.634 7.784 550 HB2 ARG 70 1HB ARG 70 12.112 0.649 8.596 551 HB3 ARG 70 2HB ARG 70 10.883 0.281 7.395 552 HG2 ARG 70 1HG ARG 70 11.675 2.142 5.998 553 HG3 ARG 70 2HG ARG 70 12.920 2.516 7.215 554 HD2 ARG 70 1HD ARG 70 13.906 1.237 5.474 555 HD3 ARG 70 2HD ARG 70 13.790 0.218 6.927 556 HE ARG 70 HE ARG 70 11.534 -0.062 5.135 557 HH11 ARG 70 1HH1 ARG 70 14.803 -1.135 5.842 558 HH12 ARG 70 2HH1 ARG 70 14.610 -2.670 5.026 559 HH21 ARG 70 1HH2 ARG 70 11.295 -2.058 4.078 560 HH22 ARG 70 2HH2 ARG 70 12.625 -3.193 4.027 561 H ALA 71 H ALA 71 10.784 0.948 10.818 562 HA ALA 71 HA ALA 71 8.481 -0.718 10.901 563 HB1 ALA 71 1HB ALA 71 8.910 -0.836 13.334 564 HB2 ALA 71 2HB ALA 71 10.405 -1.039 12.391 565 HB3 ALA 71 3HB ALA 71 10.060 0.513 13.189 566 H LEU 72 H LEU 72 9.015 2.622 11.974 567 HA LEU 72 HA LEU 72 6.444 3.004 13.153 568 HB2 LEU 72 1HB LEU 72 8.344 4.547 13.471 569 HB3 LEU 72 2HB LEU 72 8.267 5.003 11.766 570 HG LEU 72 HG LEU 72 6.036 6.000 12.131 571 HD11 LEU 72 1HD1 LEU 72 5.169 6.227 14.416 572 HD12 LEU 72 2HD1 LEU 72 5.287 4.521 13.924 573 HD13 LEU 72 3HD1 LEU 72 6.502 5.217 15.022 574 HD21 LEU 72 1HD2 LEU 72 6.810 7.898 13.512 575 HD22 LEU 72 2HD2 LEU 72 8.168 6.912 14.107 576 HD23 LEU 72 3HD2 LEU 72 8.082 7.364 12.388 577 H ILE 73 H ILE 73 7.648 3.573 9.841 578 HA ILE 73 HA ILE 73 5.256 4.583 8.731 579 HB ILE 73 HB ILE 73 7.487 2.920 7.501 580 HG12 ILE 73 1HG1 ILE 73 6.847 5.850 7.143 581 HG13 ILE 73 2HG1 ILE 73 7.923 5.256 8.398 582 HG21 ILE 73 1HG2 ILE 73 6.576 3.584 5.313 583 HG22 ILE 73 2HG2 ILE 73 5.414 2.581 6.211 584 HG23 ILE 73 3HG2 ILE 73 5.182 4.342 6.118 585 HD11 ILE 73 1HD1 ILE 73 9.174 6.008 6.453 586 HD12 ILE 73 2HD1 ILE 73 9.382 4.256 6.692 587 HD13 ILE 73 3HD1 ILE 73 8.292 4.859 5.420 588 H ASP 74 H ASP 74 6.379 1.207 9.035 589 HA ASP 74 HA ASP 74 4.283 -0.097 7.735 590 HB2 ASP 74 1HB ASP 74 5.876 -0.872 10.201 591 HB3 ASP 74 2HB ASP 74 4.691 -1.951 9.478 592 H LYS 75 H LYS 75 4.395 1.043 11.114 593 HA LYS 75 HA LYS 75 1.757 0.120 11.777 594 HB2 LYS 75 1HB LYS 75 3.509 2.295 12.983 595 HB3 LYS 75 2HB LYS 75 1.966 1.802 13.667 596 HG2 LYS 75 1HG LYS 75 2.844 -0.501 13.955 597 HG3 LYS 75 2HG LYS 75 4.405 0.035 13.316 598 HD2 LYS 75 1HD LYS 75 4.524 1.733 15.157 599 HD3 LYS 75 2HD LYS 75 3.025 1.067 15.821 600 HE2 LYS 75 1HE LYS 75 4.150 -1.163 16.007 601 HE3 LYS 75 2HE LYS 75 5.652 -0.419 15.455 602 HZ1 LYS 75 1HZ LYS 75 5.557 -0.556 17.834 603 HZ2 LYS 75 2HZ LYS 75 5.570 1.027 17.369 604 HZ3 LYS 75 3HZ LYS 75 4.167 0.330 17.885 605 H LEU 76 H LEU 76 3.013 3.149 10.436 606 HA LEU 76 HA LEU 76 0.595 4.644 10.836 607 HB2 LEU 76 1HB LEU 76 2.947 5.027 8.956 608 HB3 LEU 76 2HB LEU 76 1.623 6.187 9.106 609 HG LEU 76 HG LEU 76 3.461 5.370 11.384 610 HD11 LEU 76 1HD1 LEU 76 4.491 7.573 11.049 611 HD12 LEU 76 2HD1 LEU 76 4.685 6.532 9.619 612 HD13 LEU 76 3HD1 LEU 76 3.470 7.833 9.616 613 HD21 LEU 76 1HD2 LEU 76 2.452 7.335 12.493 614 HD22 LEU 76 2HD2 LEU 76 1.400 7.593 11.080 615 HD23 LEU 76 3HD2 LEU 76 1.211 6.129 12.074 616 H ILE 77 H ILE 77 1.849 2.694 8.156 617 HA ILE 77 HA ILE 77 -0.492 3.440 6.501 618 HB ILE 77 HB ILE 77 0.665 2.318 4.664 619 HG12 ILE 77 1HG1 ILE 77 2.768 1.507 6.685 620 HG13 ILE 77 2HG1 ILE 77 1.547 0.434 6.018 621 HG21 ILE 77 1HG2 ILE 77 2.719 3.673 4.570 622 HG22 ILE 77 2HG2 ILE 77 1.352 4.626 5.196 623 HG23 ILE 77 3HG2 ILE 77 2.587 4.001 6.314 624 HD11 ILE 77 1HD1 ILE 77 3.676 0.158 4.876 625 HD12 ILE 77 2HD1 ILE 77 2.445 0.795 3.759 626 HD13 ILE 77 3HD1 ILE 77 3.683 1.881 4.435 627 H GLY 78 H GLY 78 0.607 0.939 8.579 628 HA2 GLY 78 1HA GLY 78 -0.579 -0.917 9.349 629 HA3 GLY 78 2HA GLY 78 -1.909 -0.479 8.294 630 H ALA 79 H ALA 79 1.491 -1.113 7.416 631 HA ALA 79 HA ALA 79 0.936 -3.699 6.252 632 HB1 ALA 79 1HB ALA 79 1.225 -3.041 3.885 633 HB2 ALA 79 2HB ALA 79 -0.239 -2.321 4.596 634 HB3 ALA 79 3HB ALA 79 1.220 -1.329 4.369 635 H GLN 80 H GLN 80 2.765 -4.715 5.373 636 HA GLN 80 HA GLN 80 5.255 -3.710 6.514 637 HB2 GLN 80 1HB GLN 80 4.787 -6.100 6.612 638 HB3 GLN 80 2HB GLN 80 4.606 -6.184 4.866 639 HG2 GLN 80 1HG GLN 80 6.733 -7.086 5.456 640 HG3 GLN 80 2HG GLN 80 7.003 -5.522 4.636 641 HE21 GLN 80 1HE2 GLN 80 8.984 -4.320 7.200 642 HE22 GLN 80 2HE2 GLN 80 8.586 -4.384 5.515 643 H LEU 81 H LEU 81 6.629 -2.393 5.578 644 HA LEU 81 HA LEU 81 6.531 -1.610 2.842 645 HB2 LEU 81 1HB LEU 81 8.729 -1.483 4.928 646 HB3 LEU 81 2HB LEU 81 8.912 -0.807 3.306 647 HG LEU 81 HG LEU 81 6.753 0.048 5.264 648 HD11 LEU 81 1HD1 LEU 81 8.157 2.027 5.638 649 HD12 LEU 81 2HD1 LEU 81 8.972 0.534 6.160 650 HD13 LEU 81 3HD1 LEU 81 9.434 1.311 4.627 651 HD21 LEU 81 1HD2 LEU 81 6.554 1.958 3.707 652 HD22 LEU 81 2HD2 LEU 81 7.810 1.242 2.668 653 HD23 LEU 81 3HD2 LEU 81 6.246 0.417 2.872 654 HA PRO 82 HA PRO 82 8.383 -5.091 0.985 655 HB2 PRO 82 1HB PRO 82 8.738 -4.098 -1.545 656 HB3 PRO 82 2HB PRO 82 7.134 -4.474 -0.903 657 HG2 PRO 82 1HG PRO 82 8.563 -1.783 -1.019 658 HG3 PRO 82 2HG PRO 82 6.910 -2.165 -1.510 659 HD2 PRO 82 1HD PRO 82 7.450 -1.080 0.933 660 HD3 PRO 82 2HD PRO 82 6.114 -2.279 0.705 661 H GLU 83 H GLU 83 10.421 -5.790 0.060 662 HA GLU 83 HA GLU 83 12.589 -3.923 -0.374 663 HB2 GLU 83 1HB GLU 83 12.527 -3.884 2.107 664 HB3 GLU 83 2HB GLU 83 12.686 -5.634 2.145 665 HG2 GLU 83 1HG GLU 83 14.900 -5.499 1.151 666 HG3 GLU 83 2HG GLU 83 14.743 -3.753 0.969 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 12.337 1.155 -6.246 2 H2 ASN 1 2H ASN 1 11.000 1.353 -7.162 3 H3 ASN 1 3H ASN 1 12.030 2.600 -6.942 4 HA ASN 1 HA ASN 1 10.393 1.324 -4.899 5 HB2 ASN 1 1HB ASN 1 12.428 3.565 -4.765 6 HB3 ASN 1 2HB ASN 1 11.209 3.309 -3.524 7 HD21 ASN 1 1HD2 ASN 1 14.399 1.588 -2.626 8 HD22 ASN 1 2HD2 ASN 1 13.987 3.203 -3.098 9 H GLY 2 H GLY 2 11.122 4.449 -6.496 10 HA2 GLY 2 1HA GLY 2 9.615 5.903 -7.551 11 HA3 GLY 2 2HA GLY 2 8.305 4.793 -7.193 12 H LEU 3 H LEU 3 10.520 5.908 -4.700 13 HA LEU 3 HA LEU 3 8.218 7.231 -3.364 14 HB2 LEU 3 1HB LEU 3 10.912 6.374 -2.248 15 HB3 LEU 3 2HB LEU 3 9.572 7.046 -1.314 16 HG LEU 3 HG LEU 3 9.531 4.387 -2.786 17 HD11 LEU 3 1HD1 LEU 3 9.588 3.424 -0.529 18 HD12 LEU 3 2HD1 LEU 3 11.046 4.386 -0.871 19 HD13 LEU 3 3HD1 LEU 3 9.760 5.054 0.162 20 HD21 LEU 3 1HD2 LEU 3 7.400 4.070 -1.576 21 HD22 LEU 3 2HD2 LEU 3 7.540 5.710 -0.898 22 HD23 LEU 3 3HD2 LEU 3 7.321 5.487 -2.650 23 H ALA 4 H ALA 4 8.400 9.272 -2.398 24 HA ALA 4 HA ALA 4 9.773 11.154 -4.064 25 HB1 ALA 4 1HB ALA 4 8.922 12.845 -2.471 26 HB2 ALA 4 2HB ALA 4 7.654 11.691 -2.947 27 HB3 ALA 4 3HB ALA 4 8.441 11.544 -1.359 28 H MET 5 H MET 5 10.384 9.955 -0.771 29 HA MET 5 HA MET 5 12.988 11.415 -0.832 30 HB2 MET 5 1HB MET 5 11.520 10.284 1.581 31 HB3 MET 5 2HB MET 5 12.969 11.280 1.605 32 HG2 MET 5 1HG MET 5 10.244 12.178 0.624 33 HG3 MET 5 2HG MET 5 10.945 12.541 2.203 34 HE1 MET 5 1HE MET 5 13.849 14.962 1.401 35 HE2 MET 5 2HE MET 5 12.798 14.269 2.661 36 HE3 MET 5 3HE MET 5 13.914 13.219 1.754 37 H LYS 6 H LYS 6 14.855 10.368 0.075 38 HA LYS 6 HA LYS 6 15.075 7.744 -1.157 39 HB2 LYS 6 1HB LYS 6 16.886 9.421 -1.329 40 HB3 LYS 6 2HB LYS 6 17.105 9.381 0.415 41 HG2 LYS 6 1HG LYS 6 17.821 7.042 0.303 42 HG3 LYS 6 2HG LYS 6 17.537 7.025 -1.443 43 HD2 LYS 6 1HD LYS 6 19.236 8.788 -1.749 44 HD3 LYS 6 2HD LYS 6 19.509 8.836 -0.001 45 HE2 LYS 6 1HE LYS 6 20.241 6.478 -0.044 46 HE3 LYS 6 2HE LYS 6 19.954 6.414 -1.785 47 HZ1 LYS 6 1HZ LYS 6 22.253 6.804 -1.283 48 HZ2 LYS 6 2HZ LYS 6 21.624 8.114 -2.064 49 HZ3 LYS 6 3HZ LYS 6 21.893 8.173 -0.438 50 H THR 7 H THR 7 15.781 8.922 2.161 51 HA THR 7 HA THR 7 15.979 6.102 3.015 52 HB THR 7 HB THR 7 16.913 7.002 5.103 53 HG1 THR 7 HG1 THR 7 17.227 9.406 5.056 54 HG21 THR 7 1HG2 THR 7 18.908 8.115 4.180 55 HG22 THR 7 2HG2 THR 7 18.425 6.734 3.167 56 HG23 THR 7 3HG2 THR 7 18.050 8.393 2.647 57 HA PRO 8 HA PRO 8 12.087 5.683 4.886 58 HB2 PRO 8 1HB PRO 8 13.676 4.665 7.276 59 HB3 PRO 8 2HB PRO 8 12.263 3.944 6.495 60 HG2 PRO 8 1HG PRO 8 14.652 2.920 5.946 61 HG3 PRO 8 2HG PRO 8 13.516 3.176 4.618 62 HD2 PRO 8 1HD PRO 8 15.892 4.878 5.465 63 HD3 PRO 8 2HD PRO 8 15.354 4.418 3.800 64 H VAL 9 H VAL 9 14.762 7.021 6.833 65 HA VAL 9 HA VAL 9 13.139 8.280 8.824 66 HB VAL 9 HB VAL 9 15.942 8.899 7.805 67 HG11 VAL 9 1HG1 VAL 9 16.235 10.237 9.832 68 HG12 VAL 9 2HG1 VAL 9 14.983 10.913 8.763 69 HG13 VAL 9 3HG1 VAL 9 14.514 10.014 10.227 70 HG21 VAL 9 1HG2 VAL 9 16.617 7.787 9.909 71 HG22 VAL 9 2HG2 VAL 9 14.906 7.488 10.298 72 HG23 VAL 9 3HG2 VAL 9 15.650 6.698 8.887 73 H SER 10 H SER 10 14.615 9.514 5.809 74 HA SER 10 HA SER 10 13.545 12.169 6.112 75 HB2 SER 10 1HB SER 10 14.224 12.470 3.777 76 HB3 SER 10 2HB SER 10 15.496 11.693 4.707 77 HG SER 10 HG SER 10 15.049 9.803 3.799 78 H ILE 11 H ILE 11 12.345 9.188 4.677 79 HA ILE 11 HA ILE 11 10.064 10.319 3.366 80 HB ILE 11 HB ILE 11 10.592 7.557 4.526 81 HG12 ILE 11 1HG1 ILE 11 10.388 8.440 1.644 82 HG13 ILE 11 2HG1 ILE 11 11.904 8.402 2.531 83 HG21 ILE 11 1HG2 ILE 11 8.585 6.822 3.305 84 HG22 ILE 11 2HG2 ILE 11 8.169 8.006 4.566 85 HG23 ILE 11 3HG2 ILE 11 8.233 8.509 2.860 86 HD11 ILE 11 1HD1 ILE 11 11.618 6.391 1.194 87 HD12 ILE 11 2HD1 ILE 11 11.625 5.993 2.929 88 HD13 ILE 11 3HD1 ILE 11 10.090 6.032 2.029 89 H LEU 12 H LEU 12 10.475 8.899 6.623 90 HA LEU 12 HA LEU 12 7.818 9.383 7.509 91 HB2 LEU 12 1HB LEU 12 9.410 7.906 8.677 92 HB3 LEU 12 2HB LEU 12 10.406 9.301 9.103 93 HG LEU 12 HG LEU 12 8.546 10.185 10.491 94 HD11 LEU 12 1HD1 LEU 12 6.617 8.741 10.958 95 HD12 LEU 12 2HD1 LEU 12 6.691 9.204 9.242 96 HD13 LEU 12 3HD1 LEU 12 7.197 7.574 9.747 97 HD21 LEU 12 1HD2 LEU 12 8.741 8.478 12.268 98 HD22 LEU 12 2HD2 LEU 12 9.352 7.306 11.076 99 HD23 LEU 12 3HD2 LEU 12 10.309 8.754 11.470 100 H GLN 13 H GLN 13 10.771 11.369 7.762 101 HA GLN 13 HA GLN 13 9.622 13.495 9.253 102 HB2 GLN 13 1HB GLN 13 11.917 13.427 7.262 103 HB3 GLN 13 2HB GLN 13 11.481 14.875 8.158 104 HG2 GLN 13 1HG GLN 13 11.959 13.797 10.261 105 HG3 GLN 13 2HG GLN 13 12.246 12.241 9.432 106 HE21 GLN 13 1HE2 GLN 13 15.456 14.111 10.220 107 HE22 GLN 13 2HE2 GLN 13 14.051 13.758 11.170 108 H GLU 14 H GLU 14 9.822 12.950 5.741 109 HA GLU 14 HA GLU 14 8.604 15.391 4.941 110 HB2 GLU 14 1HB GLU 14 9.718 13.937 3.331 111 HB3 GLU 14 2HB GLU 14 8.579 12.636 3.648 112 HG2 GLU 14 1HG GLU 14 7.969 13.619 1.585 113 HG3 GLU 14 2HG GLU 14 6.751 14.100 2.765 114 H LEU 15 H LEU 15 7.160 12.193 5.625 115 HA LEU 15 HA LEU 15 4.495 12.946 4.967 116 HB2 LEU 15 1HB LEU 15 5.583 10.807 6.827 117 HB3 LEU 15 2HB LEU 15 3.872 10.963 6.414 118 HG LEU 15 HG LEU 15 6.084 10.461 4.391 119 HD11 LEU 15 1HD1 LEU 15 5.241 8.156 4.363 120 HD12 LEU 15 2HD1 LEU 15 5.882 8.603 5.962 121 HD13 LEU 15 3HD1 LEU 15 4.123 8.548 5.691 122 HD21 LEU 15 1HD2 LEU 15 4.179 9.910 2.916 123 HD22 LEU 15 2HD2 LEU 15 3.045 10.327 4.223 124 HD23 LEU 15 3HD2 LEU 15 4.071 11.589 3.500 125 H LEU 16 H LEU 16 6.345 13.154 7.979 126 HA LEU 16 HA LEU 16 3.969 13.831 9.545 127 HB2 LEU 16 1HB LEU 16 6.932 13.777 10.205 128 HB3 LEU 16 2HB LEU 16 5.675 14.196 11.373 129 HG LEU 16 HG LEU 16 5.927 11.517 9.958 130 HD11 LEU 16 1HD1 LEU 16 6.646 10.700 12.158 131 HD12 LEU 16 2HD1 LEU 16 7.763 11.927 11.516 132 HD13 LEU 16 3HD1 LEU 16 6.600 12.362 12.791 133 HD21 LEU 16 1HD2 LEU 16 4.205 10.821 11.588 134 HD22 LEU 16 2HD2 LEU 16 4.123 12.485 12.215 135 HD23 LEU 16 3HD2 LEU 16 3.607 12.135 10.548 136 H SER 17 H SER 17 6.747 15.518 8.137 137 HA SER 17 HA SER 17 6.374 17.979 9.543 138 HB2 SER 17 1HB SER 17 7.880 18.929 7.902 139 HB3 SER 17 2HB SER 17 8.457 17.335 8.364 140 HG SER 17 HG SER 17 7.745 16.509 6.507 141 H ARG 18 H ARG 18 4.861 16.610 6.700 142 HA ARG 18 HA ARG 18 3.628 19.004 5.729 143 HB2 ARG 18 1HB ARG 18 2.807 16.089 5.566 144 HB3 ARG 18 2HB ARG 18 1.926 17.381 4.766 145 HG2 ARG 18 1HG ARG 18 3.862 17.924 3.404 146 HG3 ARG 18 2HG ARG 18 4.840 16.715 4.272 147 HD2 ARG 18 1HD ARG 18 3.248 14.981 3.519 148 HD3 ARG 18 2HD ARG 18 2.434 16.222 2.538 149 HE ARG 18 HE ARG 18 5.234 16.176 1.982 150 HH11 ARG 18 1HH1 ARG 18 2.262 14.392 1.410 151 HH12 ARG 18 2HH1 ARG 18 2.818 13.705 -0.100 152 HH21 ARG 18 1HH2 ARG 18 5.944 15.279 0.021 153 HH22 ARG 18 2HH2 ARG 18 4.902 14.206 -0.887 154 H ARG 19 H ARG 19 3.080 17.073 8.530 155 HA ARG 19 HA ARG 19 0.423 18.362 8.941 156 HB2 ARG 19 1HB ARG 19 1.722 15.999 10.337 157 HB3 ARG 19 2HB ARG 19 0.173 16.694 10.790 158 HG2 ARG 19 1HG ARG 19 -0.825 16.032 8.711 159 HG3 ARG 19 2HG ARG 19 0.754 15.531 8.057 160 HD2 ARG 19 1HD ARG 19 -0.511 13.618 8.766 161 HD3 ARG 19 2HD ARG 19 0.913 13.834 9.809 162 HE ARG 19 HE ARG 19 -0.467 14.271 11.600 163 HH11 ARG 19 1HH1 ARG 19 -2.349 14.270 8.634 164 HH12 ARG 19 2HH1 ARG 19 -3.889 14.289 9.464 165 HH21 ARG 19 1HH2 ARG 19 -2.472 14.296 12.666 166 HH22 ARG 19 2HH2 ARG 19 -3.960 14.304 11.745 167 H GLY 20 H GLY 20 3.509 19.108 9.473 168 HA2 GLY 20 1HA GLY 20 4.451 20.691 10.917 169 HA3 GLY 20 2HA GLY 20 2.931 20.786 11.786 170 H ILE 21 H ILE 21 4.430 17.678 11.188 171 HA ILE 21 HA ILE 21 4.966 17.478 14.120 172 HB ILE 21 HB ILE 21 4.158 15.286 12.161 173 HG12 ILE 21 1HG1 ILE 21 2.313 16.785 12.659 174 HG13 ILE 21 2HG1 ILE 21 2.067 15.215 13.407 175 HG21 ILE 21 1HG2 ILE 21 4.022 13.866 14.168 176 HG22 ILE 21 2HG2 ILE 21 5.677 14.471 13.924 177 HG23 ILE 21 3HG2 ILE 21 4.634 15.207 15.164 178 HD11 ILE 21 1HD1 ILE 21 1.415 17.013 14.907 179 HD12 ILE 21 2HD1 ILE 21 2.802 16.117 15.571 180 HD13 ILE 21 3HD1 ILE 21 3.050 17.708 14.813 181 H THR 22 H THR 22 6.912 16.881 14.824 182 HA THR 22 HA THR 22 8.862 15.905 12.778 183 HB THR 22 HB THR 22 9.406 17.524 15.305 184 HG1 THR 22 HG1 THR 22 10.303 18.586 12.997 185 HG21 THR 22 1HG2 THR 22 11.740 17.542 14.516 186 HG22 THR 22 2HG2 THR 22 11.189 15.880 14.835 187 HG23 THR 22 3HG2 THR 22 11.296 16.477 13.163 188 HA PRO 23 HA PRO 23 8.839 12.286 15.267 189 HB2 PRO 23 1HB PRO 23 10.656 10.833 13.822 190 HB3 PRO 23 2HB PRO 23 9.015 11.130 13.233 191 HG2 PRO 23 1HG PRO 23 11.587 12.621 12.557 192 HG3 PRO 23 2HG PRO 23 10.357 12.005 11.449 193 HD2 PRO 23 1HD PRO 23 10.381 14.616 12.244 194 HD3 PRO 23 2HD PRO 23 8.833 13.733 11.935 195 H GLY 24 H GLY 24 10.169 11.360 16.850 196 HA2 GLY 24 1HA GLY 24 12.761 12.792 17.320 197 HA3 GLY 24 2HA GLY 24 11.697 12.236 18.599 198 H TYR 25 H TYR 25 14.499 11.566 17.004 199 HA TYR 25 HA TYR 25 14.268 8.625 17.425 200 HB2 TYR 25 1HB TYR 25 16.356 10.275 15.944 201 HB3 TYR 25 2HB TYR 25 16.445 8.534 16.172 202 HD1 TYR 25 HD1 TYR 25 14.348 11.231 14.687 203 HD2 TYR 25 HD2 TYR 25 15.358 7.061 14.711 204 HE1 TYR 25 HE1 TYR 25 13.005 10.893 12.640 205 HE2 TYR 25 HE2 TYR 25 14.015 6.723 12.664 206 HH TYR 25 HH TYR 25 12.348 9.441 11.089 207 H GLU 26 H GLU 26 15.464 7.535 18.870 208 HA GLU 26 HA GLU 26 17.704 8.886 20.220 209 HB2 GLU 26 1HB GLU 26 16.835 8.532 22.472 210 HB3 GLU 26 2HB GLU 26 15.730 9.556 21.568 211 HG2 GLU 26 1HG GLU 26 14.270 7.609 21.158 212 HG3 GLU 26 2HG GLU 26 15.373 6.597 22.088 213 H LEU 27 H LEU 27 19.015 7.463 21.484 214 HA LEU 27 HA LEU 27 19.155 4.818 20.279 215 HB2 LEU 27 1HB LEU 27 21.200 6.048 20.752 216 HB3 LEU 27 2HB LEU 27 20.781 6.163 22.465 217 HG LEU 27 HG LEU 27 20.958 3.646 22.593 218 HD11 LEU 27 1HD1 LEU 27 22.151 2.510 20.773 219 HD12 LEU 27 2HD1 LEU 27 20.594 3.173 20.225 220 HD13 LEU 27 3HD1 LEU 27 22.111 4.007 19.812 221 HD21 LEU 27 1HD2 LEU 27 23.430 3.679 22.590 222 HD22 LEU 27 2HD2 LEU 27 23.409 5.193 21.654 223 HD23 LEU 27 3HD2 LEU 27 22.771 5.165 23.315 224 H VAL 28 H VAL 28 18.290 2.998 20.983 225 HA VAL 28 HA VAL 28 17.080 2.881 23.660 226 HB VAL 28 HB VAL 28 17.276 0.812 21.429 227 HG11 VAL 28 1HG1 VAL 28 15.590 -0.440 22.684 228 HG12 VAL 28 2HG1 VAL 28 17.111 -0.273 23.594 229 HG13 VAL 28 3HG1 VAL 28 15.707 0.738 24.013 230 HG21 VAL 28 1HG2 VAL 28 14.880 1.340 21.108 231 HG22 VAL 28 2HG2 VAL 28 14.983 2.575 22.387 232 HG23 VAL 28 3HG2 VAL 28 15.895 2.783 20.872 233 H GLN 29 H GLN 29 19.543 1.019 21.833 234 HA GLN 29 HA GLN 29 21.251 0.686 24.115 235 HB2 GLN 29 1HB GLN 29 19.450 -0.804 24.895 236 HB3 GLN 29 2HB GLN 29 19.502 -1.698 23.383 237 HG2 GLN 29 1HG GLN 29 20.649 -2.970 25.026 238 HG3 GLN 29 2HG GLN 29 21.876 -2.314 23.906 239 HE21 GLN 29 1HE2 GLN 29 23.752 -1.012 26.500 240 HE22 GLN 29 2HE2 GLN 29 23.667 -1.775 24.947 241 H ILE 30 H ILE 30 23.238 0.193 23.453 242 HA ILE 30 HA ILE 30 23.577 -0.935 20.731 243 HB ILE 30 HB ILE 30 25.616 0.181 22.704 244 HG12 ILE 30 1HG1 ILE 30 24.610 1.354 20.103 245 HG13 ILE 30 2HG1 ILE 30 24.005 1.812 21.688 246 HG21 ILE 30 1HG2 ILE 30 27.192 0.042 20.817 247 HG22 ILE 30 2HG2 ILE 30 26.585 -1.569 21.263 248 HG23 ILE 30 3HG2 ILE 30 25.941 -0.744 19.825 249 HD11 ILE 30 1HD1 ILE 30 25.665 3.399 20.891 250 HD12 ILE 30 2HD1 ILE 30 26.252 2.557 22.346 251 HD13 ILE 30 3HD1 ILE 30 26.865 2.095 20.740 252 H GLU 31 H GLU 31 24.027 -2.991 20.359 253 HA GLU 31 HA GLU 31 25.093 -4.679 22.540 254 HB2 GLU 31 1HB GLU 31 22.642 -4.682 22.899 255 HB3 GLU 31 2HB GLU 31 22.387 -5.180 21.232 256 HG2 GLU 31 1HG GLU 31 23.649 -7.276 21.710 257 HG3 GLU 31 2HG GLU 31 23.771 -6.779 23.396 258 H GLY 32 H GLY 32 26.554 -6.004 21.755 259 HA2 GLY 32 1HA GLY 32 26.451 -7.967 19.959 260 HA3 GLY 32 2HA GLY 32 26.547 -6.616 18.846 261 H ALA 33 H ALA 33 28.565 -7.321 18.052 262 HA ALA 33 HA ALA 33 30.806 -7.832 19.783 263 HB1 ALA 33 1HB ALA 33 32.134 -7.780 17.697 264 HB2 ALA 33 2HB ALA 33 30.670 -8.776 17.522 265 HB3 ALA 33 3HB ALA 33 30.723 -7.141 16.824 266 H ILE 34 H ILE 34 32.705 -6.623 20.084 267 HA ILE 34 HA ILE 34 32.284 -3.879 20.696 268 HB ILE 34 HB ILE 34 34.829 -5.507 20.350 269 HG12 ILE 34 1HG1 ILE 34 33.528 -4.425 22.855 270 HG13 ILE 34 2HG1 ILE 34 33.223 -6.035 22.221 271 HG21 ILE 34 1HG2 ILE 34 36.001 -3.636 21.438 272 HG22 ILE 34 2HG2 ILE 34 35.312 -3.137 19.876 273 HG23 ILE 34 3HG2 ILE 34 34.508 -2.669 21.393 274 HD11 ILE 34 1HD1 ILE 34 34.893 -6.089 23.987 275 HD12 ILE 34 2HD1 ILE 34 35.609 -6.584 22.434 276 HD13 ILE 34 3HD1 ILE 34 35.917 -4.953 23.078 277 H HIS 35 H HIS 35 33.745 -5.468 17.876 278 HA HIS 35 HA HIS 35 34.554 -2.901 16.698 279 HB2 HIS 35 1HB HIS 35 34.621 -5.751 15.643 280 HB3 HIS 35 2HB HIS 35 35.208 -4.355 14.749 281 HD2 HIS 35 HD2 HIS 35 36.574 -6.949 17.105 282 HE1 HIS 35 HE1 HIS 35 39.213 -3.616 17.412 283 H GLU 36 H GLU 36 31.903 -5.189 16.413 284 HA GLU 36 HA GLU 36 30.531 -3.244 14.642 285 HB2 GLU 36 1HB GLU 36 31.603 -5.007 13.196 286 HB3 GLU 36 2HB GLU 36 30.657 -6.226 14.038 287 HG2 GLU 36 1HG GLU 36 28.584 -5.202 13.247 288 HG3 GLU 36 2HG GLU 36 29.499 -3.923 12.454 289 HA PRO 37 HA PRO 37 27.794 -4.915 17.897 290 HB2 PRO 37 1HB PRO 37 27.061 -2.566 19.062 291 HB3 PRO 37 2HB PRO 37 28.593 -3.352 19.467 292 HG2 PRO 37 1HG PRO 37 28.074 -1.069 17.515 293 HG3 PRO 37 2HG PRO 37 29.313 -1.175 18.770 294 HD2 PRO 37 1HD PRO 37 29.834 -1.796 16.147 295 HD3 PRO 37 2HD PRO 37 30.673 -2.622 17.521 296 H THR 38 H THR 38 25.484 -4.816 17.923 297 HA THR 38 HA THR 38 24.264 -3.488 15.581 298 HB THR 38 HB THR 38 23.077 -5.384 17.654 299 HG1 THR 38 HG1 THR 38 24.138 -5.688 15.040 300 HG21 THR 38 1HG2 THR 38 21.161 -5.514 16.111 301 HG22 THR 38 2HG2 THR 38 21.384 -3.853 16.709 302 HG23 THR 38 3HG2 THR 38 21.912 -4.286 15.067 303 H PHE 39 H PHE 39 23.000 -1.749 15.629 304 HA PHE 39 HA PHE 39 22.782 -0.384 18.261 305 HB2 PHE 39 1HB PHE 39 22.613 0.652 15.407 306 HB3 PHE 39 2HB PHE 39 22.290 1.645 16.820 307 HD1 PHE 39 HD1 PHE 39 24.896 -0.312 15.067 308 HD2 PHE 39 HD2 PHE 39 24.049 2.554 18.120 309 HE1 PHE 39 HE1 PHE 39 27.308 0.191 15.261 310 HE2 PHE 39 HE2 PHE 39 26.460 3.062 18.315 311 HZ PHE 39 HZ PHE 39 28.091 1.878 16.886 312 H ARG 40 H ARG 40 20.916 -0.151 19.264 313 HA ARG 40 HA ARG 40 18.421 -0.689 17.720 314 HB2 ARG 40 1HB ARG 40 18.899 -0.723 20.720 315 HB3 ARG 40 2HB ARG 40 17.372 -1.074 19.926 316 HG2 ARG 40 1HG ARG 40 18.396 -3.031 18.826 317 HG3 ARG 40 2HG ARG 40 19.925 -2.682 19.669 318 HD2 ARG 40 1HD ARG 40 18.694 -2.864 21.813 319 HD3 ARG 40 2HD ARG 40 17.274 -3.406 20.888 320 HE ARG 40 HE ARG 40 19.701 -4.907 21.462 321 HH11 ARG 40 1HH1 ARG 40 16.842 -4.634 19.439 322 HH12 ARG 40 2HH1 ARG 40 16.849 -6.324 18.985 323 HH21 ARG 40 1HH2 ARG 40 19.700 -7.098 20.865 324 HH22 ARG 40 2HH2 ARG 40 18.466 -7.719 19.791 325 H PHE 41 H PHE 41 17.349 1.033 17.071 326 HA PHE 41 HA PHE 41 17.223 3.368 18.934 327 HB2 PHE 41 1HB PHE 41 17.477 3.266 15.924 328 HB3 PHE 41 2HB PHE 41 16.700 4.638 16.696 329 HD1 PHE 41 HD1 PHE 41 19.845 2.635 16.766 330 HD2 PHE 41 HD2 PHE 41 17.974 6.405 17.501 331 HE1 PHE 41 HE1 PHE 41 22.059 3.650 17.187 332 HE2 PHE 41 HE2 PHE 41 20.187 7.424 17.920 333 HZ PHE 41 HZ PHE 41 22.230 6.045 17.765 334 H ARG 42 H ARG 42 15.258 4.644 18.810 335 HA ARG 42 HA ARG 42 12.930 3.260 17.608 336 HB2 ARG 42 1HB ARG 42 11.641 3.294 19.631 337 HB3 ARG 42 2HB ARG 42 13.149 2.460 19.973 338 HG2 ARG 42 1HG ARG 42 14.035 4.465 21.068 339 HG3 ARG 42 2HG ARG 42 12.526 5.334 20.698 340 HD2 ARG 42 1HD ARG 42 11.287 3.664 21.997 341 HD3 ARG 42 2HD ARG 42 12.830 2.887 22.422 342 HE ARG 42 HE ARG 42 12.926 5.654 23.074 343 HH11 ARG 42 1HH1 ARG 42 11.455 2.638 24.116 344 HH12 ARG 42 2HH1 ARG 42 11.321 3.136 25.788 345 HH21 ARG 42 1HH2 ARG 42 12.746 6.288 25.247 346 HH22 ARG 42 2HH2 ARG 42 12.052 5.202 26.429 347 H VAL 43 H VAL 43 10.968 4.600 17.624 348 HA VAL 43 HA VAL 43 11.688 7.501 17.538 349 HB VAL 43 HB VAL 43 9.630 5.990 15.871 350 HG11 VAL 43 1HG1 VAL 43 9.373 8.096 14.652 351 HG12 VAL 43 2HG1 VAL 43 8.906 8.255 16.362 352 HG13 VAL 43 3HG1 VAL 43 10.470 8.895 15.803 353 HG21 VAL 43 1HG2 VAL 43 11.155 6.500 13.991 354 HG22 VAL 43 2HG2 VAL 43 12.304 7.245 15.128 355 HG23 VAL 43 3HG2 VAL 43 11.962 5.500 15.221 356 H SER 44 H SER 44 10.481 8.921 18.637 357 HA SER 44 HA SER 44 7.880 8.026 19.753 358 HB2 SER 44 1HB SER 44 9.519 7.474 21.476 359 HB3 SER 44 2HB SER 44 10.201 9.091 21.394 360 HG SER 44 HG SER 44 7.749 9.555 21.749 361 H PHE 45 H PHE 45 6.435 9.495 19.226 362 HA PHE 45 HA PHE 45 6.863 12.257 20.037 363 HB2 PHE 45 1HB PHE 45 6.486 13.288 17.856 364 HB3 PHE 45 2HB PHE 45 7.928 12.287 17.800 365 HD1 PHE 45 HD1 PHE 45 4.488 12.685 16.627 366 HD2 PHE 45 HD2 PHE 45 7.970 10.212 16.526 367 HE1 PHE 45 HE1 PHE 45 3.574 11.480 14.671 368 HE2 PHE 45 HE2 PHE 45 7.060 9.006 14.569 369 HZ PHE 45 HZ PHE 45 4.860 9.641 13.642 370 H LYS 46 H LYS 46 4.901 13.614 19.551 371 HA LYS 46 HA LYS 46 2.457 11.897 19.470 372 HB2 LYS 46 1HB LYS 46 3.004 14.292 21.269 373 HB3 LYS 46 2HB LYS 46 1.432 13.525 21.090 374 HG2 LYS 46 1HG LYS 46 2.368 11.409 21.967 375 HG3 LYS 46 2HG LYS 46 3.938 12.199 22.166 376 HD2 LYS 46 1HD LYS 46 2.878 13.862 23.694 377 HD3 LYS 46 2HD LYS 46 1.342 12.995 23.536 378 HE2 LYS 46 1HE LYS 46 2.371 10.968 24.483 379 HE3 LYS 46 2HE LYS 46 3.925 11.797 24.605 380 HZ1 LYS 46 1HZ LYS 46 2.758 11.800 26.685 381 HZ2 LYS 46 2HZ LYS 46 2.913 13.347 26.132 382 HZ3 LYS 46 3HZ LYS 46 1.462 12.572 26.019 383 H ASP 47 H ASP 47 1.122 12.367 17.893 384 HA ASP 47 HA ASP 47 1.258 15.043 16.628 385 HB2 ASP 47 1HB ASP 47 1.225 13.029 15.174 386 HB3 ASP 47 2HB ASP 47 -0.327 12.560 15.854 387 H LYS 48 H LYS 48 0.323 16.359 18.182 388 HA LYS 48 HA LYS 48 -1.360 17.341 19.405 389 HB2 LYS 48 1HB LYS 48 -3.172 15.838 17.473 390 HB3 LYS 48 2HB LYS 48 -3.680 17.140 18.539 391 HG2 LYS 48 1HG LYS 48 -2.135 18.686 17.357 392 HG3 LYS 48 2HG LYS 48 -1.697 17.371 16.257 393 HD2 LYS 48 1HD LYS 48 -4.075 17.172 15.567 394 HD3 LYS 48 2HD LYS 48 -4.490 18.512 16.646 395 HE2 LYS 48 1HE LYS 48 -2.992 20.008 15.376 396 HE3 LYS 48 2HE LYS 48 -2.551 18.673 14.308 397 HZ1 LYS 48 1HZ LYS 48 -4.244 20.050 13.346 398 HZ2 LYS 48 2HZ LYS 48 -4.847 18.540 13.623 399 HZ3 LYS 48 3HZ LYS 48 -5.258 19.788 14.620 400 H ASP 49 H ASP 49 -0.354 15.570 20.911 401 HA ASP 49 HA ASP 49 -0.662 14.007 22.571 402 HB2 ASP 49 1HB ASP 49 -3.601 14.721 22.205 403 HB3 ASP 49 2HB ASP 49 -2.947 13.795 23.549 404 H THR 50 H THR 50 -0.393 13.037 19.957 405 HA THR 50 HA THR 50 -1.932 10.495 20.265 406 HB THR 50 HB THR 50 -1.102 11.753 17.615 407 HG1 THR 50 HG1 THR 50 -2.874 12.867 17.978 408 HG21 THR 50 1HG2 THR 50 -2.492 9.964 16.647 409 HG22 THR 50 2HG2 THR 50 -1.158 9.283 17.609 410 HG23 THR 50 3HG2 THR 50 -2.807 9.321 18.276 411 HA PRO 51 HA PRO 51 2.461 9.623 20.826 412 HB2 PRO 51 1HB PRO 51 1.153 7.099 21.903 413 HB3 PRO 51 2HB PRO 51 2.493 8.033 22.581 414 HG2 PRO 51 1HG PRO 51 0.080 8.318 23.668 415 HG3 PRO 51 2HG PRO 51 1.067 9.757 23.395 416 HD2 PRO 51 1HD PRO 51 -1.240 8.671 21.731 417 HD3 PRO 51 2HD PRO 51 -0.883 10.380 22.206 418 H PHE 52 H PHE 52 3.560 8.914 19.079 419 HA PHE 52 HA PHE 52 2.714 6.298 17.903 420 HB2 PHE 52 1HB PHE 52 4.245 8.619 16.677 421 HB3 PHE 52 2HB PHE 52 4.202 7.021 15.950 422 HD1 PHE 52 HD1 PHE 52 2.356 10.087 16.588 423 HD2 PHE 52 HD2 PHE 52 2.089 6.102 15.071 424 HE1 PHE 52 HE1 PHE 52 0.232 10.660 15.461 425 HE2 PHE 52 HE2 PHE 52 -0.035 6.672 13.941 426 HZ PHE 52 HZ PHE 52 -0.964 8.952 14.137 427 H THR 53 H THR 53 4.100 4.625 17.886 428 HA THR 53 HA THR 53 6.841 5.108 18.950 429 HB THR 53 HB THR 53 4.918 2.963 19.950 430 HG1 THR 53 HG1 THR 53 6.074 5.234 21.247 431 HG21 THR 53 1HG2 THR 53 6.739 2.393 21.508 432 HG22 THR 53 2HG2 THR 53 7.255 2.172 19.819 433 HG23 THR 53 3HG2 THR 53 7.787 3.603 20.732 434 H ALA 54 H ALA 54 8.404 4.071 17.915 435 HA ALA 54 HA ALA 54 7.838 1.444 16.725 436 HB1 ALA 54 1HB ALA 54 8.818 2.054 14.537 437 HB2 ALA 54 2HB ALA 54 7.329 2.969 14.871 438 HB3 ALA 54 3HB ALA 54 8.915 3.750 15.062 439 H MET 55 H MET 55 9.736 0.242 16.172 440 HA MET 55 HA MET 55 12.279 1.306 17.239 441 HB2 MET 55 1HB MET 55 11.092 0.328 19.197 442 HB3 MET 55 2HB MET 55 10.957 -1.204 18.346 443 HG2 MET 55 1HG MET 55 13.409 -1.412 18.310 444 HG3 MET 55 2HG MET 55 13.558 0.138 19.142 445 HE1 MET 55 1HE MET 55 12.105 -0.592 22.671 446 HE2 MET 55 2HE MET 55 12.983 0.565 21.641 447 HE3 MET 55 3HE MET 55 11.288 0.158 21.279 448 H GLY 56 H GLY 56 14.076 0.414 16.382 449 HA2 GLY 56 1HA GLY 56 13.917 -2.125 14.901 450 HA3 GLY 56 2HA GLY 56 14.187 -0.711 13.900 451 H ALA 57 H ALA 57 16.172 -2.249 13.583 452 HA ALA 57 HA ALA 57 18.394 -1.099 15.090 453 HB1 ALA 57 1HB ALA 57 19.295 -3.279 15.836 454 HB2 ALA 57 2HB ALA 57 17.727 -2.917 16.597 455 HB3 ALA 57 3HB ALA 57 17.817 -4.079 15.254 456 H GLY 58 H GLY 58 20.476 -1.638 14.221 457 HA2 GLY 58 1HA GLY 58 20.625 -3.191 11.744 458 HA3 GLY 58 2HA GLY 58 20.733 -1.460 11.483 459 H ARG 59 H ARG 59 22.902 -2.213 10.645 460 HA ARG 59 HA ARG 59 24.854 -3.105 12.624 461 HB2 ARG 59 1HB ARG 59 25.170 -2.220 9.736 462 HB3 ARG 59 2HB ARG 59 26.466 -2.874 10.726 463 HG2 ARG 59 1HG ARG 59 25.396 -5.016 10.857 464 HG3 ARG 59 2HG ARG 59 23.920 -4.381 10.090 465 HD2 ARG 59 1HD ARG 59 26.643 -4.528 8.816 466 HD3 ARG 59 2HD ARG 59 25.294 -5.655 8.541 467 HE ARG 59 HE ARG 59 24.356 -3.056 8.035 468 HH11 ARG 59 1HH1 ARG 59 26.684 -5.336 6.723 469 HH12 ARG 59 2HH1 ARG 59 26.546 -4.729 5.088 470 HH21 ARG 59 1HH2 ARG 59 24.185 -2.277 5.909 471 HH22 ARG 59 2HH2 ARG 59 25.131 -2.997 4.626 472 H SER 60 H SER 60 23.630 -0.095 11.536 473 HA SER 60 HA SER 60 25.722 1.271 13.146 474 HB2 SER 60 1HB SER 60 26.009 3.011 11.508 475 HB3 SER 60 2HB SER 60 26.324 1.466 10.733 476 HG SER 60 HG SER 60 24.849 1.937 9.412 477 H LYS 61 H LYS 61 25.089 3.582 13.604 478 HA LYS 61 HA LYS 61 22.516 3.716 14.790 479 HB2 LYS 61 1HB LYS 61 24.438 5.920 13.952 480 HB3 LYS 61 2HB LYS 61 22.976 6.209 14.885 481 HG2 LYS 61 1HG LYS 61 23.832 4.752 16.685 482 HG3 LYS 61 2HG LYS 61 25.304 4.467 15.746 483 HD2 LYS 61 1HD LYS 61 25.802 6.891 15.789 484 HD3 LYS 61 2HD LYS 61 24.329 7.176 16.728 485 HE2 LYS 61 1HE LYS 61 25.201 5.770 18.552 486 HE3 LYS 61 2HE LYS 61 26.656 5.429 17.613 487 HZ1 LYS 61 1HZ LYS 61 27.020 7.170 19.202 488 HZ2 LYS 61 2HZ LYS 61 27.174 7.771 17.673 489 HZ3 LYS 61 3HZ LYS 61 25.815 8.089 18.552 490 H LYS 62 H LYS 62 23.664 4.709 11.597 491 HA LYS 62 HA LYS 62 21.285 6.135 10.855 492 HB2 LYS 62 1HB LYS 62 23.465 6.385 9.686 493 HB3 LYS 62 2HB LYS 62 23.335 4.736 9.091 494 HG2 LYS 62 1HG LYS 62 21.379 5.313 7.767 495 HG3 LYS 62 2HG LYS 62 21.362 6.946 8.447 496 HD2 LYS 62 1HD LYS 62 23.600 7.372 7.467 497 HD3 LYS 62 2HD LYS 62 23.599 5.744 6.773 498 HE2 LYS 62 1HE LYS 62 21.605 6.295 5.439 499 HE3 LYS 62 2HE LYS 62 21.550 7.906 6.158 500 HZ1 LYS 62 1HZ LYS 62 22.603 7.931 4.018 501 HZ2 LYS 62 2HZ LYS 62 23.695 8.353 5.180 502 HZ3 LYS 62 3HZ LYS 62 23.746 6.848 4.507 503 H GLU 63 H GLU 63 22.370 2.789 10.227 504 HA GLU 63 HA GLU 63 20.057 2.059 8.711 505 HB2 GLU 63 1HB GLU 63 22.092 0.419 10.263 506 HB3 GLU 63 2HB GLU 63 20.795 -0.314 9.329 507 HG2 GLU 63 1HG GLU 63 21.665 0.902 7.308 508 HG3 GLU 63 2HG GLU 63 23.040 1.418 8.283 509 H ALA 64 H ALA 64 20.809 1.936 12.168 510 HA ALA 64 HA ALA 64 18.514 0.437 12.957 511 HB1 ALA 64 1HB ALA 64 18.932 1.387 15.203 512 HB2 ALA 64 2HB ALA 64 20.432 0.799 14.446 513 HB3 ALA 64 3HB ALA 64 20.081 2.543 14.491 514 H LYS 65 H LYS 65 19.057 3.941 12.618 515 HA LYS 65 HA LYS 65 16.436 4.726 13.448 516 HB2 LYS 65 1HB LYS 65 18.495 6.046 11.645 517 HB3 LYS 65 2HB LYS 65 16.966 6.811 12.055 518 HG2 LYS 65 1HG LYS 65 17.558 6.745 14.444 519 HG3 LYS 65 2HG LYS 65 19.090 5.955 14.044 520 HD2 LYS 65 1HD LYS 65 19.739 7.917 12.676 521 HD3 LYS 65 2HD LYS 65 18.212 8.708 13.093 522 HE2 LYS 65 1HE LYS 65 18.831 8.665 15.481 523 HE3 LYS 65 2HE LYS 65 20.345 7.849 15.084 524 HZ1 LYS 65 1HZ LYS 65 20.656 10.197 15.359 525 HZ2 LYS 65 2HZ LYS 65 20.979 9.773 13.798 526 HZ3 LYS 65 3HZ LYS 65 19.565 10.536 14.170 527 H HIS 66 H HIS 66 17.778 3.827 10.286 528 HA HIS 66 HA HIS 66 15.477 4.391 8.708 529 HB2 HIS 66 1HB HIS 66 17.660 2.302 8.420 530 HB3 HIS 66 2HB HIS 66 16.392 2.532 7.223 531 HD2 HIS 66 HD2 HIS 66 17.566 6.029 8.520 532 HE1 HIS 66 HE1 HIS 66 19.752 5.101 4.997 533 H ALA 67 H ALA 67 16.376 1.487 10.562 534 HA ALA 67 HA ALA 67 14.164 -0.087 9.670 535 HB1 ALA 67 1HB ALA 67 14.691 -1.531 11.608 536 HB2 ALA 67 2HB ALA 67 16.156 -1.081 10.703 537 HB3 ALA 67 3HB ALA 67 15.776 -0.271 12.241 538 H ALA 68 H ALA 68 14.626 1.962 12.548 539 HA ALA 68 HA ALA 68 12.061 1.412 13.683 540 HB1 ALA 68 1HB ALA 68 12.457 3.456 15.019 541 HB2 ALA 68 2HB ALA 68 13.892 2.403 14.983 542 HB3 ALA 68 3HB ALA 68 13.835 3.865 13.971 543 H ALA 69 H ALA 69 13.195 3.873 11.395 544 HA ALA 69 HA ALA 69 10.795 5.422 11.417 545 HB1 ALA 69 1HB ALA 69 11.652 6.380 9.304 546 HB2 ALA 69 2HB ALA 69 12.919 6.296 10.551 547 HB3 ALA 69 3HB ALA 69 12.886 5.101 9.234 548 H ARG 70 H ARG 70 11.918 2.819 9.246 549 HA ARG 70 HA ARG 70 9.606 2.991 7.535 550 HB2 ARG 70 1HB ARG 70 10.451 1.012 6.476 551 HB3 ARG 70 2HB ARG 70 11.825 2.036 6.865 552 HG2 ARG 70 1HG ARG 70 12.253 0.631 8.879 553 HG3 ARG 70 2HG ARG 70 10.937 -0.446 8.351 554 HD2 ARG 70 1HD ARG 70 12.121 -0.815 6.244 555 HD3 ARG 70 2HD ARG 70 13.452 0.207 6.834 556 HE ARG 70 HE ARG 70 12.865 -1.882 8.695 557 HH11 ARG 70 1HH1 ARG 70 14.408 -1.261 5.601 558 HH12 ARG 70 2HH1 ARG 70 15.522 -2.602 5.745 559 HH21 ARG 70 1HH2 ARG 70 14.316 -3.620 8.871 560 HH22 ARG 70 2HH2 ARG 70 15.471 -3.938 7.596 561 H ALA 71 H ALA 71 10.377 1.208 10.463 562 HA ALA 71 HA ALA 71 8.251 -0.663 10.410 563 HB1 ALA 71 1HB ALA 71 8.475 -0.688 12.873 564 HB2 ALA 71 2HB ALA 71 10.060 -0.747 12.066 565 HB3 ALA 71 3HB ALA 71 9.485 0.774 12.788 566 H LEU 72 H LEU 72 8.347 2.663 11.709 567 HA LEU 72 HA LEU 72 5.584 2.715 12.469 568 HB2 LEU 72 1HB LEU 72 7.257 4.308 13.327 569 HB3 LEU 72 2HB LEU 72 7.454 4.988 11.708 570 HG LEU 72 HG LEU 72 5.116 5.792 11.763 571 HD11 LEU 72 1HD1 LEU 72 3.843 5.664 13.858 572 HD12 LEU 72 2HD1 LEU 72 4.186 4.048 13.197 573 HD13 LEU 72 3HD1 LEU 72 5.127 4.664 14.577 574 HD21 LEU 72 1HD2 LEU 72 5.475 7.533 13.480 575 HD22 LEU 72 2HD2 LEU 72 6.783 6.560 14.194 576 HD23 LEU 72 3HD2 LEU 72 6.965 7.229 12.555 577 H ILE 73 H ILE 73 7.298 3.792 9.530 578 HA ILE 73 HA ILE 73 5.102 5.000 8.238 579 HB ILE 73 HB ILE 73 7.551 3.587 7.116 580 HG12 ILE 73 1HG1 ILE 73 6.894 6.534 7.227 581 HG13 ILE 73 2HG1 ILE 73 7.785 5.701 8.490 582 HG21 ILE 73 1HG2 ILE 73 7.004 4.657 4.967 583 HG22 ILE 73 2HG2 ILE 73 5.735 3.508 5.451 584 HG23 ILE 73 3HG2 ILE 73 5.474 5.256 5.651 585 HD11 ILE 73 1HD1 ILE 73 9.292 6.821 6.946 586 HD12 ILE 73 2HD1 ILE 73 9.512 5.057 6.865 587 HD13 ILE 73 3HD1 ILE 73 8.610 5.903 5.585 588 H ASP 74 H ASP 74 6.239 1.619 8.101 589 HA ASP 74 HA ASP 74 4.368 0.639 6.243 590 HB2 ASP 74 1HB ASP 74 5.702 -0.670 8.636 591 HB3 ASP 74 2HB ASP 74 4.644 -1.562 7.551 592 H LYS 75 H LYS 75 4.060 1.028 9.772 593 HA LYS 75 HA LYS 75 1.401 -0.043 9.925 594 HB2 LYS 75 1HB LYS 75 2.937 1.869 11.723 595 HB3 LYS 75 2HB LYS 75 1.332 1.265 12.110 596 HG2 LYS 75 1HG LYS 75 2.186 -1.044 12.113 597 HG3 LYS 75 2HG LYS 75 3.800 -0.449 11.699 598 HD2 LYS 75 1HD LYS 75 3.853 0.867 13.795 599 HD3 LYS 75 2HD LYS 75 2.238 0.272 14.208 600 HE2 LYS 75 1HE LYS 75 3.095 -2.046 14.235 601 HE3 LYS 75 2HE LYS 75 4.705 -1.461 13.809 602 HZ1 LYS 75 1HZ LYS 75 4.493 -1.831 16.155 603 HZ2 LYS 75 2HZ LYS 75 4.737 -0.225 15.865 604 HZ3 LYS 75 3HZ LYS 75 3.233 -0.772 16.264 605 H LEU 76 H LEU 76 2.688 3.182 9.277 606 HA LEU 76 HA LEU 76 0.184 4.554 9.628 607 HB2 LEU 76 1HB LEU 76 2.730 5.283 8.144 608 HB3 LEU 76 2HB LEU 76 1.355 6.379 8.309 609 HG LEU 76 HG LEU 76 2.937 5.235 10.638 610 HD11 LEU 76 1HD1 LEU 76 3.904 7.486 10.796 611 HD12 LEU 76 2HD1 LEU 76 4.310 6.702 9.251 612 HD13 LEU 76 3HD1 LEU 76 3.049 7.957 9.308 613 HD21 LEU 76 1HD2 LEU 76 1.719 6.964 11.917 614 HD22 LEU 76 2HD2 LEU 76 0.833 7.429 10.445 615 HD23 LEU 76 3HD2 LEU 76 0.591 5.816 11.157 616 H ILE 77 H ILE 77 1.823 3.093 6.845 617 HA ILE 77 HA ILE 77 -0.307 4.104 5.050 618 HB ILE 77 HB ILE 77 1.123 3.344 3.214 619 HG12 ILE 77 1HG1 ILE 77 2.984 2.240 5.332 620 HG13 ILE 77 2HG1 ILE 77 1.913 1.273 4.330 621 HG21 ILE 77 1HG2 ILE 77 3.104 4.745 3.633 622 HG22 ILE 77 2HG2 ILE 77 1.625 5.538 4.222 623 HG23 ILE 77 3HG2 ILE 77 2.733 4.756 5.373 624 HD11 ILE 77 1HD1 ILE 77 4.183 1.255 3.459 625 HD12 ILE 77 2HD1 ILE 77 3.077 2.050 2.311 626 HD13 ILE 77 3HD1 ILE 77 4.164 3.029 3.325 627 H GLY 78 H GLY 78 0.611 1.278 6.770 628 HA2 GLY 78 1HA GLY 78 -0.553 -0.729 6.998 629 HA3 GLY 78 2HA GLY 78 -1.764 -0.128 5.882 630 H ALA 79 H ALA 79 1.754 -0.531 5.395 631 HA ALA 79 HA ALA 79 1.554 -2.818 3.689 632 HB1 ALA 79 1HB ALA 79 1.924 -1.710 1.508 633 HB2 ALA 79 2HB ALA 79 0.344 -1.280 2.207 634 HB3 ALA 79 3HB ALA 79 1.696 -0.126 2.284 635 H GLN 80 H GLN 80 3.571 -3.072 2.308 636 HA GLN 80 HA GLN 80 5.854 -2.460 4.026 637 HB2 GLN 80 1HB GLN 80 5.702 -4.665 2.981 638 HB3 GLN 80 2HB GLN 80 5.628 -3.946 1.379 639 HG2 GLN 80 1HG GLN 80 7.825 -4.810 1.737 640 HG3 GLN 80 2HG GLN 80 7.918 -3.026 1.735 641 HE21 GLN 80 1HE2 GLN 80 9.526 -2.897 4.790 642 HE22 GLN 80 2HE2 GLN 80 9.201 -2.204 3.236 643 H LEU 81 H LEU 81 6.914 -0.623 3.960 644 HA LEU 81 HA LEU 81 6.882 1.189 1.737 645 HB2 LEU 81 1HB LEU 81 7.361 1.867 4.070 646 HB3 LEU 81 2HB LEU 81 8.870 0.950 4.024 647 HG LEU 81 HG LEU 81 9.618 2.478 2.136 648 HD11 LEU 81 1HD1 LEU 81 8.434 4.618 1.921 649 HD12 LEU 81 2HD1 LEU 81 7.402 3.245 1.454 650 HD13 LEU 81 3HD1 LEU 81 7.175 4.033 3.033 651 HD21 LEU 81 1HD2 LEU 81 10.182 4.310 3.696 652 HD22 LEU 81 2HD2 LEU 81 8.947 3.722 4.835 653 HD23 LEU 81 3HD2 LEU 81 10.376 2.722 4.477 654 HA PRO 82 HA PRO 82 9.685 -0.970 -0.934 655 HB2 PRO 82 1HB PRO 82 9.741 1.819 -2.135 656 HB3 PRO 82 2HB PRO 82 9.539 0.262 -2.948 657 HG2 PRO 82 1HG PRO 82 7.382 1.772 -2.570 658 HG3 PRO 82 2HG PRO 82 7.270 0.037 -2.262 659 HD2 PRO 82 1HD PRO 82 7.633 2.317 -0.273 660 HD3 PRO 82 2HD PRO 82 6.545 0.876 -0.166 661 H GLU 83 H GLU 83 11.908 -1.067 -1.046 662 HA GLU 83 HA GLU 83 13.583 1.212 -0.336 663 HB2 GLU 83 1HB GLU 83 12.851 0.399 1.910 664 HB3 GLU 83 2HB GLU 83 13.503 -1.190 1.535 665 HG2 GLU 83 1HG GLU 83 15.756 -0.255 1.371 666 HG3 GLU 83 2HG GLU 83 15.123 1.361 1.675 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 12.558 2.689 -6.239 2 H2 ASN 1 2H ASN 1 12.865 4.048 -5.388 3 H3 ASN 1 3H ASN 1 11.697 3.021 -4.892 4 HA ASN 1 HA ASN 1 11.690 4.603 -7.337 5 HB2 ASN 1 1HB ASN 1 10.602 2.382 -7.579 6 HB3 ASN 1 2HB ASN 1 9.568 2.749 -6.204 7 HD21 ASN 1 1HD2 ASN 1 7.628 3.504 -9.213 8 HD22 ASN 1 2HD2 ASN 1 8.330 2.114 -8.455 9 H GLY 2 H GLY 2 11.824 6.598 -6.487 10 HA2 GLY 2 1HA GLY 2 10.284 8.434 -5.949 11 HA3 GLY 2 2HA GLY 2 9.500 7.392 -4.776 12 H LEU 3 H LEU 3 12.355 6.391 -4.077 13 HA LEU 3 HA LEU 3 12.824 8.461 -2.023 14 HB2 LEU 3 1HB LEU 3 14.084 5.724 -2.417 15 HB3 LEU 3 2HB LEU 3 14.351 6.788 -1.033 16 HG LEU 3 HG LEU 3 11.702 5.499 -1.783 17 HD11 LEU 3 1HD1 LEU 3 12.095 4.133 0.218 18 HD12 LEU 3 2HD1 LEU 3 13.362 3.886 -1.005 19 HD13 LEU 3 3HD1 LEU 3 13.690 4.893 0.425 20 HD21 LEU 3 1HD2 LEU 3 10.973 6.370 0.412 21 HD22 LEU 3 2HD2 LEU 3 12.553 7.163 0.623 22 HD23 LEU 3 3HD2 LEU 3 11.456 7.695 -0.674 23 H ALA 4 H ALA 4 14.833 9.421 -1.626 24 HA ALA 4 HA ALA 4 16.326 9.953 -4.090 25 HB1 ALA 4 1HB ALA 4 17.512 11.635 -2.717 26 HB2 ALA 4 2HB ALA 4 15.745 11.807 -2.591 27 HB3 ALA 4 3HB ALA 4 16.661 11.043 -1.272 28 H MET 5 H MET 5 18.827 10.306 -3.643 29 HA MET 5 HA MET 5 19.824 7.648 -2.780 30 HB2 MET 5 1HB MET 5 21.169 9.899 -4.323 31 HB3 MET 5 2HB MET 5 21.933 8.369 -3.918 32 HG2 MET 5 1HG MET 5 19.492 8.720 -5.683 33 HG3 MET 5 2HG MET 5 21.140 8.398 -6.229 34 HE1 MET 5 1HE MET 5 21.794 4.757 -5.081 35 HE2 MET 5 2HE MET 5 22.355 6.122 -6.078 36 HE3 MET 5 3HE MET 5 22.307 6.274 -4.305 37 H LYS 6 H LYS 6 19.063 10.187 -1.117 38 HA LYS 6 HA LYS 6 21.623 10.713 0.232 39 HB2 LYS 6 1HB LYS 6 18.797 11.656 0.861 40 HB3 LYS 6 2HB LYS 6 20.251 12.200 1.686 41 HG2 LYS 6 1HG LYS 6 21.102 13.105 -0.477 42 HG3 LYS 6 2HG LYS 6 19.575 12.633 -1.236 43 HD2 LYS 6 1HD LYS 6 19.765 14.478 1.172 44 HD3 LYS 6 2HD LYS 6 19.687 15.045 -0.503 45 HE2 LYS 6 1HE LYS 6 17.522 13.816 -0.772 46 HE3 LYS 6 2HE LYS 6 17.589 13.383 0.938 47 HZ1 LYS 6 1HZ LYS 6 16.242 15.316 0.571 48 HZ2 LYS 6 2HZ LYS 6 17.563 15.722 1.472 49 HZ3 LYS 6 3HZ LYS 6 17.498 16.126 -0.126 50 H THR 7 H THR 7 21.340 10.815 2.778 51 HA THR 7 HA THR 7 21.257 8.201 3.799 52 HB THR 7 HB THR 7 20.636 10.792 5.282 53 HG1 THR 7 HG1 THR 7 22.669 10.959 4.436 54 HG21 THR 7 1HG2 THR 7 21.383 9.546 7.271 55 HG22 THR 7 2HG2 THR 7 19.961 8.772 6.533 56 HG23 THR 7 3HG2 THR 7 21.581 8.080 6.284 57 HA PRO 8 HA PRO 8 17.084 7.089 3.341 58 HB2 PRO 8 1HB PRO 8 17.850 5.286 5.684 59 HB3 PRO 8 2HB PRO 8 16.933 4.876 4.229 60 HG2 PRO 8 1HG PRO 8 19.499 4.193 4.322 61 HG3 PRO 8 2HG PRO 8 18.865 4.900 2.833 62 HD2 PRO 8 1HD PRO 8 20.521 6.199 5.022 63 HD3 PRO 8 2HD PRO 8 20.611 6.430 3.229 64 H VAL 9 H VAL 9 18.490 7.613 6.585 65 HA VAL 9 HA VAL 9 16.052 8.033 7.992 66 HB VAL 9 HB VAL 9 18.846 9.152 8.466 67 HG11 VAL 9 1HG1 VAL 9 18.102 9.630 10.747 68 HG12 VAL 9 2HG1 VAL 9 17.202 10.578 9.541 69 HG13 VAL 9 3HG1 VAL 9 16.444 9.160 10.304 70 HG21 VAL 9 1HG2 VAL 9 18.945 7.367 10.176 71 HG22 VAL 9 2HG2 VAL 9 17.314 6.830 9.707 72 HG23 VAL 9 3HG2 VAL 9 18.663 6.690 8.555 73 H SER 10 H SER 10 18.255 10.330 6.364 74 HA SER 10 HA SER 10 16.723 12.653 7.099 75 HB2 SER 10 1HB SER 10 18.164 13.852 5.596 76 HB3 SER 10 2HB SER 10 19.136 12.666 6.453 77 HG SER 10 HG SER 10 18.440 11.324 4.497 78 H ILE 11 H ILE 11 16.581 10.372 4.439 79 HA ILE 11 HA ILE 11 14.858 11.907 2.737 80 HB ILE 11 HB ILE 11 15.290 8.911 3.038 81 HG12 ILE 11 1HG1 ILE 11 16.127 10.800 0.830 82 HG13 ILE 11 2HG1 ILE 11 17.156 10.369 2.187 83 HG21 ILE 11 1HG2 ILE 11 14.060 8.673 0.919 84 HG22 ILE 11 2HG2 ILE 11 13.011 9.329 2.197 85 HG23 ILE 11 3HG2 ILE 11 13.669 10.409 0.946 86 HD11 ILE 11 1HD1 ILE 11 17.678 9.024 0.230 87 HD12 ILE 11 2HD1 ILE 11 17.040 8.001 1.540 88 HD13 ILE 11 3HD1 ILE 11 16.000 8.438 0.164 89 H LEU 12 H LEU 12 14.184 9.446 5.239 90 HA LEU 12 HA LEU 12 11.337 9.610 5.013 91 HB2 LEU 12 1HB LEU 12 13.124 8.788 7.327 92 HB3 LEU 12 2HB LEU 12 11.368 8.597 7.318 93 HG LEU 12 HG LEU 12 13.319 7.237 5.426 94 HD11 LEU 12 1HD1 LEU 12 12.654 5.207 6.635 95 HD12 LEU 12 2HD1 LEU 12 13.424 6.393 7.715 96 HD13 LEU 12 3HD1 LEU 12 11.656 6.188 7.733 97 HD21 LEU 12 1HD2 LEU 12 11.317 6.003 4.666 98 HD22 LEU 12 2HD2 LEU 12 10.298 6.996 5.737 99 HD23 LEU 12 3HD2 LEU 12 11.145 7.749 4.365 100 H GLN 13 H GLN 13 13.709 11.374 6.973 101 HA GLN 13 HA GLN 13 11.828 12.841 8.544 102 HB2 GLN 13 1HB GLN 13 14.668 13.458 7.655 103 HB3 GLN 13 2HB GLN 13 13.757 14.517 8.721 104 HG2 GLN 13 1HG GLN 13 13.584 12.779 10.394 105 HG3 GLN 13 2HG GLN 13 14.377 11.613 9.298 106 HE21 GLN 13 1HE2 GLN 13 16.809 13.064 11.792 107 HE22 GLN 13 2HE2 GLN 13 15.245 12.334 11.946 108 H GLU 14 H GLU 14 13.363 13.542 5.404 109 HA GLU 14 HA GLU 14 12.155 16.082 4.995 110 HB2 GLU 14 1HB GLU 14 14.001 15.224 3.600 111 HB3 GLU 14 2HB GLU 14 12.958 13.961 2.962 112 HG2 GLU 14 1HG GLU 14 11.540 15.624 1.887 113 HG3 GLU 14 2HG GLU 14 12.493 16.928 2.593 114 H LEU 15 H LEU 15 11.066 12.811 4.057 115 HA LEU 15 HA LEU 15 8.718 13.645 2.695 116 HB2 LEU 15 1HB LEU 15 9.388 11.075 4.165 117 HB3 LEU 15 2HB LEU 15 7.916 11.294 3.214 118 HG LEU 15 HG LEU 15 10.725 11.521 2.081 119 HD11 LEU 15 1HD1 LEU 15 10.298 9.298 1.133 120 HD12 LEU 15 2HD1 LEU 15 10.296 9.265 2.912 121 HD13 LEU 15 3HD1 LEU 15 8.757 9.216 2.019 122 HD21 LEU 15 1HD2 LEU 15 9.525 11.359 -0.074 123 HD22 LEU 15 2HD2 LEU 15 7.972 11.306 0.794 124 HD23 LEU 15 3HD2 LEU 15 8.978 12.773 0.859 125 H LEU 16 H LEU 16 9.254 12.748 6.102 126 HA LEU 16 HA LEU 16 6.492 13.039 6.858 127 HB2 LEU 16 1HB LEU 16 9.078 13.050 8.445 128 HB3 LEU 16 2HB LEU 16 7.485 13.173 9.199 129 HG LEU 16 HG LEU 16 8.446 10.830 7.519 130 HD11 LEU 16 1HD1 LEU 16 8.550 9.646 9.666 131 HD12 LEU 16 2HD1 LEU 16 9.668 11.029 9.623 132 HD13 LEU 16 3HD1 LEU 16 8.134 11.152 10.517 133 HD21 LEU 16 1HD2 LEU 16 6.398 9.748 8.379 134 HD22 LEU 16 2HD2 LEU 16 5.950 11.256 9.212 135 HD23 LEU 16 3HD2 LEU 16 6.004 11.204 7.434 136 H SER 17 H SER 17 9.305 15.207 6.912 137 HA SER 17 HA SER 17 8.126 17.376 8.289 138 HB2 SER 17 1HB SER 17 10.170 17.349 6.046 139 HB3 SER 17 2HB SER 17 9.768 18.772 6.995 140 HG SER 17 HG SER 17 10.856 16.335 7.868 141 H ARG 18 H ARG 18 8.008 16.485 4.848 142 HA ARG 18 HA ARG 18 6.501 18.766 3.995 143 HB2 ARG 18 1HB ARG 18 6.704 15.953 2.874 144 HB3 ARG 18 2HB ARG 18 5.841 17.258 2.076 145 HG2 ARG 18 1HG ARG 18 7.898 18.535 1.841 146 HG3 ARG 18 2HG ARG 18 8.795 17.290 2.743 147 HD2 ARG 18 1HD ARG 18 8.100 15.656 1.000 148 HD3 ARG 18 2HD ARG 18 7.447 17.025 0.070 149 HE ARG 18 HE ARG 18 10.247 16.331 0.489 150 HH11 ARG 18 1HH1 ARG 18 7.953 18.805 -0.490 151 HH12 ARG 18 2HH1 ARG 18 9.131 19.707 -1.417 152 HH21 ARG 18 1HH2 ARG 18 11.767 17.511 -0.717 153 HH22 ARG 18 2HH2 ARG 18 11.289 18.976 -1.547 154 H ARG 19 H ARG 19 5.587 15.614 5.330 155 HA ARG 19 HA ARG 19 2.745 16.012 4.961 156 HB2 ARG 19 1HB ARG 19 4.340 14.161 6.758 157 HB3 ARG 19 2HB ARG 19 2.585 14.150 6.678 158 HG2 ARG 19 1HG ARG 19 2.652 13.523 4.329 159 HG3 ARG 19 2HG ARG 19 4.430 13.629 4.333 160 HD2 ARG 19 1HD ARG 19 4.533 11.861 5.990 161 HD3 ARG 19 2HD ARG 19 2.757 11.756 5.991 162 HE ARG 19 HE ARG 19 3.533 11.446 3.344 163 HH11 ARG 19 1HH1 ARG 19 4.111 9.797 6.392 164 HH12 ARG 19 2HH1 ARG 19 4.312 8.227 5.648 165 HH21 ARG 19 1HH2 ARG 19 3.796 9.402 2.390 166 HH22 ARG 19 2HH2 ARG 19 4.134 8.002 3.383 167 H GLY 20 H GLY 20 5.092 16.916 7.397 168 HA2 GLY 20 1HA GLY 20 4.612 18.725 8.946 169 HA3 GLY 20 2HA GLY 20 2.919 18.269 8.931 170 H ILE 21 H ILE 21 5.463 15.854 9.115 171 HA ILE 21 HA ILE 21 4.619 15.298 11.928 172 HB ILE 21 HB ILE 21 5.513 13.366 9.747 173 HG12 ILE 21 1HG1 ILE 21 2.876 13.555 11.218 174 HG13 ILE 21 2HG1 ILE 21 3.171 14.251 9.632 175 HG21 ILE 21 1HG2 ILE 21 5.129 11.605 11.423 176 HG22 ILE 21 2HG2 ILE 21 6.422 12.711 11.942 177 HG23 ILE 21 3HG2 ILE 21 4.798 12.844 12.656 178 HD11 ILE 21 1HD1 ILE 21 2.054 12.099 9.452 179 HD12 ILE 21 2HD1 ILE 21 3.682 12.021 8.734 180 HD13 ILE 21 3HD1 ILE 21 3.381 11.316 10.340 181 H THR 22 H THR 22 6.094 15.577 13.428 182 HA THR 22 HA THR 22 8.961 15.240 12.648 183 HB THR 22 HB THR 22 7.823 17.184 14.704 184 HG1 THR 22 HG1 THR 22 9.033 17.620 12.150 185 HG21 THR 22 1HG2 THR 22 10.142 18.004 14.843 186 HG22 THR 22 2HG2 THR 22 10.043 16.292 15.320 187 HG23 THR 22 3HG2 THR 22 10.663 16.733 13.713 188 HA PRO 23 HA PRO 23 8.206 12.217 15.886 189 HB2 PRO 23 1HB PRO 23 9.822 10.248 14.920 190 HB3 PRO 23 2HB PRO 23 8.230 10.558 14.216 191 HG2 PRO 23 1HG PRO 23 10.962 11.513 13.257 192 HG3 PRO 23 2HG PRO 23 9.675 10.757 12.312 193 HD2 PRO 23 1HD PRO 23 10.007 13.477 12.401 194 HD3 PRO 23 2HD PRO 23 8.376 12.712 12.233 195 H GLY 24 H GLY 24 9.647 11.299 17.520 196 HA2 GLY 24 1HA GLY 24 12.157 12.894 17.808 197 HA3 GLY 24 2HA GLY 24 11.232 12.210 19.131 198 H TYR 25 H TYR 25 14.103 11.917 18.279 199 HA TYR 25 HA TYR 25 14.145 8.945 17.947 200 HB2 TYR 25 1HB TYR 25 16.212 11.021 17.113 201 HB3 TYR 25 2HB TYR 25 16.458 9.282 17.027 202 HD1 TYR 25 HD1 TYR 25 14.128 11.961 15.849 203 HD2 TYR 25 HD2 TYR 25 15.892 8.121 15.103 204 HE1 TYR 25 HE1 TYR 25 13.101 11.925 13.601 205 HE2 TYR 25 HE2 TYR 25 14.866 8.086 12.856 206 HH TYR 25 HH TYR 25 12.814 10.764 11.728 207 H GLU 26 H GLU 26 15.244 7.703 19.342 208 HA GLU 26 HA GLU 26 17.189 8.932 21.172 209 HB2 GLU 26 1HB GLU 26 16.109 8.092 23.208 210 HB3 GLU 26 2HB GLU 26 15.060 9.239 22.385 211 HG2 GLU 26 1HG GLU 26 13.777 7.352 21.425 212 HG3 GLU 26 2HG GLU 26 14.808 6.225 22.305 213 H LEU 27 H LEU 27 18.357 7.330 22.461 214 HA LEU 27 HA LEU 27 18.765 4.920 20.793 215 HB2 LEU 27 1HB LEU 27 20.739 6.240 21.255 216 HB3 LEU 27 2HB LEU 27 20.411 6.217 22.991 217 HG LEU 27 HG LEU 27 20.779 3.716 22.942 218 HD11 LEU 27 1HD1 LEU 27 21.957 2.796 20.995 219 HD12 LEU 27 2HD1 LEU 27 20.328 3.368 20.567 220 HD13 LEU 27 3HD1 LEU 27 21.754 4.343 20.141 221 HD21 LEU 27 1HD2 LEU 27 23.238 3.943 22.824 222 HD22 LEU 27 2HD2 LEU 27 23.054 5.507 21.995 223 HD23 LEU 27 3HD2 LEU 27 22.508 5.323 23.679 224 H VAL 28 H VAL 28 18.230 2.931 21.383 225 HA VAL 28 HA VAL 28 17.097 2.485 24.065 226 HB VAL 28 HB VAL 28 17.421 0.641 21.660 227 HG11 VAL 28 1HG1 VAL 28 15.930 -0.890 22.851 228 HG12 VAL 28 2HG1 VAL 28 17.461 -0.639 23.722 229 HG13 VAL 28 3HG1 VAL 28 15.977 0.174 24.276 230 HG21 VAL 28 1HG2 VAL 28 14.972 0.932 21.465 231 HG22 VAL 28 2HG2 VAL 28 14.997 2.055 22.846 232 HG23 VAL 28 3HG2 VAL 28 15.818 2.491 21.328 233 H GLN 29 H GLN 29 19.653 0.999 22.031 234 HA GLN 29 HA GLN 29 21.460 0.660 24.240 235 HB2 GLN 29 1HB GLN 29 19.820 -1.053 24.925 236 HB3 GLN 29 2HB GLN 29 19.931 -1.817 23.346 237 HG2 GLN 29 1HG GLN 29 21.233 -3.098 24.854 238 HG3 GLN 29 2HG GLN 29 22.372 -2.217 23.797 239 HE21 GLN 29 1HE2 GLN 29 24.124 -0.944 26.490 240 HE22 GLN 29 2HE2 GLN 29 24.102 -1.557 24.869 241 H ILE 30 H ILE 30 23.464 0.421 23.494 242 HA ILE 30 HA ILE 30 23.796 -0.593 20.712 243 HB ILE 30 HB ILE 30 25.729 0.943 22.500 244 HG12 ILE 30 1HG1 ILE 30 24.303 1.818 19.979 245 HG13 ILE 30 2HG1 ILE 30 23.788 2.231 21.607 246 HG21 ILE 30 1HG2 ILE 30 27.159 1.042 20.499 247 HG22 ILE 30 2HG2 ILE 30 26.901 -0.640 21.018 248 HG23 ILE 30 3HG2 ILE 30 26.009 0.006 19.621 249 HD11 ILE 30 1HD1 ILE 30 25.051 4.047 20.599 250 HD12 ILE 30 2HD1 ILE 30 25.922 3.384 22.003 251 HD13 ILE 30 3HD1 ILE 30 26.443 2.967 20.353 252 H GLU 31 H GLU 31 24.588 -2.535 20.338 253 HA GLU 31 HA GLU 31 26.311 -3.829 22.364 254 HB2 GLU 31 1HB GLU 31 24.950 -5.874 22.407 255 HB3 GLU 31 2HB GLU 31 24.029 -4.503 23.010 256 HG2 GLU 31 1HG GLU 31 22.902 -4.307 20.821 257 HG3 GLU 31 2HG GLU 31 23.811 -5.701 20.240 258 H GLY 32 H GLY 32 26.488 -6.334 21.375 259 HA2 GLY 32 1HA GLY 32 26.751 -7.633 19.372 260 HA3 GLY 32 2HA GLY 32 26.803 -6.158 18.424 261 H ALA 33 H ALA 33 28.718 -6.973 17.398 262 HA ALA 33 HA ALA 33 31.110 -7.171 19.154 263 HB1 ALA 33 1HB ALA 33 32.184 -8.272 17.217 264 HB2 ALA 33 2HB ALA 33 30.689 -9.105 17.704 265 HB3 ALA 33 3HB ALA 33 30.694 -8.048 16.273 266 H ILE 34 H ILE 34 33.177 -6.357 18.222 267 HA ILE 34 HA ILE 34 32.854 -3.559 17.539 268 HB ILE 34 HB ILE 34 35.316 -3.489 17.535 269 HG12 ILE 34 1HG1 ILE 34 35.236 -6.497 17.854 270 HG13 ILE 34 2HG1 ILE 34 35.613 -5.667 16.352 271 HG21 ILE 34 1HG2 ILE 34 35.712 -4.287 19.830 272 HG22 ILE 34 2HG2 ILE 34 34.144 -3.456 19.704 273 HG23 ILE 34 3HG2 ILE 34 34.207 -5.233 19.766 274 HD11 ILE 34 1HD1 ILE 34 37.639 -6.371 17.497 275 HD12 ILE 34 2HD1 ILE 34 37.551 -4.595 17.416 276 HD13 ILE 34 3HD1 ILE 34 37.171 -5.437 18.937 277 H HIS 35 H HIS 35 33.202 -6.488 15.745 278 HA HIS 35 HA HIS 35 33.769 -4.939 13.254 279 HB2 HIS 35 1HB HIS 35 33.771 -7.934 13.776 280 HB3 HIS 35 2HB HIS 35 34.073 -7.184 12.215 281 HD2 HIS 35 HD2 HIS 35 36.183 -8.447 15.170 282 HE1 HIS 35 HE1 HIS 35 38.467 -5.460 13.193 283 H GLU 36 H GLU 36 31.278 -6.592 15.000 284 HA GLU 36 HA GLU 36 29.405 -5.864 12.812 285 HB2 GLU 36 1HB GLU 36 29.476 -8.565 14.217 286 HB3 GLU 36 2HB GLU 36 28.166 -8.014 13.182 287 HG2 GLU 36 1HG GLU 36 29.745 -7.858 11.286 288 HG3 GLU 36 2HG GLU 36 31.036 -8.451 12.329 289 HA PRO 37 HA PRO 37 28.049 -4.606 17.000 290 HB2 PRO 37 1HB PRO 37 27.699 -1.931 16.517 291 HB3 PRO 37 2HB PRO 37 29.286 -2.616 16.893 292 HG2 PRO 37 1HG PRO 37 28.081 -1.965 14.168 293 HG3 PRO 37 2HG PRO 37 29.681 -1.542 14.785 294 HD2 PRO 37 1HD PRO 37 29.307 -3.716 13.181 295 HD3 PRO 37 2HD PRO 37 30.533 -3.722 14.511 296 H THR 38 H THR 38 25.922 -4.147 17.689 297 HA THR 38 HA THR 38 23.916 -3.728 15.512 298 HB THR 38 HB THR 38 23.588 -5.350 18.073 299 HG1 THR 38 HG1 THR 38 24.124 -5.961 15.393 300 HG21 THR 38 1HG2 THR 38 21.352 -5.877 17.182 301 HG22 THR 38 2HG2 THR 38 21.530 -4.128 17.460 302 HG23 THR 38 3HG2 THR 38 21.636 -4.782 15.809 303 H PHE 39 H PHE 39 22.747 -1.959 15.637 304 HA PHE 39 HA PHE 39 22.800 -0.460 18.219 305 HB2 PHE 39 1HB PHE 39 22.476 0.510 15.353 306 HB3 PHE 39 2HB PHE 39 22.269 1.538 16.762 307 HD1 PHE 39 HD1 PHE 39 24.706 -0.478 14.853 308 HD2 PHE 39 HD2 PHE 39 24.134 2.405 17.953 309 HE1 PHE 39 HE1 PHE 39 27.136 -0.022 14.875 310 HE2 PHE 39 HE2 PHE 39 26.563 2.866 17.977 311 HZ PHE 39 HZ PHE 39 28.064 1.650 16.438 312 H ARG 40 H ARG 40 20.989 -0.131 19.299 313 HA ARG 40 HA ARG 40 18.414 -0.668 17.880 314 HB2 ARG 40 1HB ARG 40 19.093 -0.931 20.829 315 HB3 ARG 40 2HB ARG 40 17.494 -1.164 20.142 316 HG2 ARG 40 1HG ARG 40 18.288 -3.079 18.856 317 HG3 ARG 40 2HG ARG 40 19.938 -2.824 19.474 318 HD2 ARG 40 1HD ARG 40 19.070 -3.134 21.760 319 HD3 ARG 40 2HD ARG 40 17.482 -3.529 21.061 320 HE ARG 40 HE ARG 40 19.909 -5.171 21.019 321 HH11 ARG 40 1HH1 ARG 40 16.631 -4.678 19.857 322 HH12 ARG 40 2HH1 ARG 40 16.420 -6.345 19.369 323 HH21 ARG 40 1HH2 ARG 40 19.623 -7.331 20.382 324 HH22 ARG 40 2HH2 ARG 40 18.113 -7.847 19.666 325 H PHE 41 H PHE 41 17.276 1.072 17.434 326 HA PHE 41 HA PHE 41 17.362 3.336 19.385 327 HB2 PHE 41 1HB PHE 41 17.349 3.356 16.358 328 HB3 PHE 41 2HB PHE 41 16.738 4.729 17.268 329 HD1 PHE 41 HD1 PHE 41 19.736 2.643 16.658 330 HD2 PHE 41 HD2 PHE 41 18.199 6.279 18.291 331 HE1 PHE 41 HE1 PHE 41 22.040 3.506 16.900 332 HE2 PHE 41 HE2 PHE 41 20.502 7.146 18.533 333 HZ PHE 41 HZ PHE 41 22.423 5.758 17.839 334 H ARG 42 H ARG 42 15.440 4.620 19.549 335 HA ARG 42 HA ARG 42 12.984 3.218 18.585 336 HB2 ARG 42 1HB ARG 42 13.328 2.853 21.018 337 HB3 ARG 42 2HB ARG 42 13.355 4.591 21.270 338 HG2 ARG 42 1HG ARG 42 11.057 4.813 20.713 339 HG3 ARG 42 2HG ARG 42 10.983 3.156 20.066 340 HD2 ARG 42 1HD ARG 42 9.972 3.122 22.187 341 HD3 ARG 42 2HD ARG 42 11.569 2.357 22.364 342 HE ARG 42 HE ARG 42 11.776 5.127 22.942 343 HH11 ARG 42 1HH1 ARG 42 10.440 2.160 24.264 344 HH12 ARG 42 2HH1 ARG 42 10.565 2.695 25.925 345 HH21 ARG 42 1HH2 ARG 42 11.934 5.812 25.101 346 HH22 ARG 42 2HH2 ARG 42 11.411 4.762 26.400 347 H VAL 43 H VAL 43 11.422 4.446 17.703 348 HA VAL 43 HA VAL 43 11.803 7.406 17.799 349 HB VAL 43 HB VAL 43 11.070 5.775 15.330 350 HG11 VAL 43 1HG1 VAL 43 11.277 7.904 14.141 351 HG12 VAL 43 2HG1 VAL 43 9.994 7.950 15.373 352 HG13 VAL 43 3HG1 VAL 43 11.559 8.739 15.687 353 HG21 VAL 43 1HG2 VAL 43 13.285 6.488 14.489 354 HG22 VAL 43 2HG2 VAL 43 13.624 7.274 16.049 355 HG23 VAL 43 3HG2 VAL 43 13.443 5.505 15.963 356 H SER 44 H SER 44 9.991 8.612 18.018 357 HA SER 44 HA SER 44 7.383 7.196 18.033 358 HB2 SER 44 1HB SER 44 8.318 6.892 20.284 359 HB3 SER 44 2HB SER 44 8.583 8.623 20.429 360 HG SER 44 HG SER 44 6.313 7.147 20.664 361 H PHE 45 H PHE 45 5.585 8.510 17.865 362 HA PHE 45 HA PHE 45 5.978 11.436 17.856 363 HB2 PHE 45 1HB PHE 45 6.474 10.893 15.542 364 HB3 PHE 45 2HB PHE 45 5.057 9.862 15.422 365 HD1 PHE 45 HD1 PHE 45 6.086 13.393 16.010 366 HD2 PHE 45 HD2 PHE 45 3.018 10.725 14.697 367 HE1 PHE 45 HE1 PHE 45 4.754 15.318 15.215 368 HE2 PHE 45 HE2 PHE 45 1.685 12.648 13.899 369 HZ PHE 45 HZ PHE 45 2.553 14.946 14.160 370 H LYS 46 H LYS 46 4.265 12.505 18.601 371 HA LYS 46 HA LYS 46 1.870 10.921 19.295 372 HB2 LYS 46 1HB LYS 46 2.945 12.415 20.986 373 HB3 LYS 46 2HB LYS 46 2.583 13.803 19.970 374 HG2 LYS 46 1HG LYS 46 0.177 13.390 20.219 375 HG3 LYS 46 2HG LYS 46 0.516 11.954 21.196 376 HD2 LYS 46 1HD LYS 46 1.689 13.378 22.861 377 HD3 LYS 46 2HD LYS 46 1.306 14.808 21.890 378 HE2 LYS 46 1HE LYS 46 -1.110 14.346 22.167 379 HE3 LYS 46 2HE LYS 46 -0.728 12.924 23.140 380 HZ1 LYS 46 1HZ LYS 46 -1.232 14.814 24.503 381 HZ2 LYS 46 2HZ LYS 46 0.340 14.369 24.729 382 HZ3 LYS 46 3HZ LYS 46 -0.018 15.699 23.821 383 H ASP 47 H ASP 47 0.543 10.634 17.626 384 HA ASP 47 HA ASP 47 0.113 12.767 15.667 385 HB2 ASP 47 1HB ASP 47 0.184 10.320 15.063 386 HB3 ASP 47 2HB ASP 47 -1.318 10.095 15.950 387 H LYS 48 H LYS 48 -0.689 14.356 17.200 388 HA LYS 48 HA LYS 48 -2.365 15.512 18.277 389 HB2 LYS 48 1HB LYS 48 -4.044 13.864 16.350 390 HB3 LYS 48 2HB LYS 48 -4.700 15.155 17.347 391 HG2 LYS 48 1HG LYS 48 -3.194 16.774 16.249 392 HG3 LYS 48 2HG LYS 48 -2.539 15.474 15.244 393 HD2 LYS 48 1HD LYS 48 -4.799 15.060 14.312 394 HD3 LYS 48 2HD LYS 48 -5.444 16.373 15.309 395 HE2 LYS 48 1HE LYS 48 -3.967 17.983 14.166 396 HE3 LYS 48 2HE LYS 48 -3.285 16.680 13.189 397 HZ1 LYS 48 1HZ LYS 48 -4.983 17.870 12.011 398 HZ2 LYS 48 2HZ LYS 48 -5.466 16.313 12.260 399 HZ3 LYS 48 3HZ LYS 48 -6.104 17.531 13.172 400 H ASP 49 H ASP 49 -4.418 12.669 17.795 401 HA ASP 49 HA ASP 49 -4.986 12.817 20.696 402 HB2 ASP 49 1HB ASP 49 -6.437 11.406 18.421 403 HB3 ASP 49 2HB ASP 49 -6.958 11.383 20.100 404 H THR 50 H THR 50 -3.521 10.729 18.323 405 HA THR 50 HA THR 50 -3.318 8.582 20.393 406 HB THR 50 HB THR 50 -3.608 8.233 17.377 407 HG1 THR 50 HG1 THR 50 -5.350 7.887 19.593 408 HG21 THR 50 1HG2 THR 50 -3.669 5.826 17.899 409 HG22 THR 50 2HG2 THR 50 -2.119 6.546 18.397 410 HG23 THR 50 3HG2 THR 50 -3.364 6.186 19.614 411 HA PRO 51 HA PRO 51 0.977 9.323 19.577 412 HB2 PRO 51 1HB PRO 51 1.973 8.016 21.745 413 HB3 PRO 51 2HB PRO 51 1.169 9.582 21.911 414 HG2 PRO 51 1HG PRO 51 0.027 6.791 22.355 415 HG3 PRO 51 2HG PRO 51 -0.103 8.205 23.404 416 HD2 PRO 51 1HD PRO 51 -2.086 7.502 21.636 417 HD3 PRO 51 2HD PRO 51 -1.752 9.223 22.085 418 H PHE 52 H PHE 52 2.529 8.086 18.559 419 HA PHE 52 HA PHE 52 2.112 5.127 18.528 420 HB2 PHE 52 1HB PHE 52 2.903 6.933 16.209 421 HB3 PHE 52 2HB PHE 52 2.999 5.180 16.167 422 HD1 PHE 52 HD1 PHE 52 0.744 8.074 16.228 423 HD2 PHE 52 HD2 PHE 52 1.011 3.816 16.010 424 HE1 PHE 52 HE1 PHE 52 -1.616 7.966 15.500 425 HE2 PHE 52 HE2 PHE 52 -1.348 3.704 15.278 426 HZ PHE 52 HZ PHE 52 -2.662 5.780 15.025 427 H THR 53 H THR 53 3.854 3.873 18.832 428 HA THR 53 HA THR 53 6.538 5.149 18.708 429 HB THR 53 HB THR 53 5.536 3.456 21.038 430 HG1 THR 53 HG1 THR 53 5.331 5.316 22.066 431 HG21 THR 53 1HG2 THR 53 7.757 3.902 22.005 432 HG22 THR 53 2HG2 THR 53 7.899 3.011 20.471 433 HG23 THR 53 3HG2 THR 53 8.237 4.757 20.521 434 H ALA 54 H ALA 54 8.117 3.919 17.888 435 HA ALA 54 HA ALA 54 7.682 1.005 17.655 436 HB1 ALA 54 1HB ALA 54 8.232 1.029 15.243 437 HB2 ALA 54 2HB ALA 54 6.728 1.917 15.586 438 HB3 ALA 54 3HB ALA 54 8.235 2.807 15.270 439 H MET 55 H MET 55 9.556 -0.214 17.264 440 HA MET 55 HA MET 55 12.084 1.325 17.687 441 HB2 MET 55 1HB MET 55 11.295 -1.392 18.806 442 HB3 MET 55 2HB MET 55 12.902 -0.694 18.936 443 HG2 MET 55 1HG MET 55 12.035 1.149 20.278 444 HG3 MET 55 2HG MET 55 10.386 0.553 20.078 445 HE1 MET 55 1HE MET 55 10.217 -2.599 22.256 446 HE2 MET 55 2HE MET 55 9.307 -1.312 21.427 447 HE3 MET 55 3HE MET 55 10.315 -2.438 20.486 448 H GLY 56 H GLY 56 14.019 0.410 16.838 449 HA2 GLY 56 1HA GLY 56 13.792 -1.835 14.950 450 HA3 GLY 56 2HA GLY 56 14.086 -0.279 14.198 451 H ALA 57 H ALA 57 15.981 -2.054 13.741 452 HA ALA 57 HA ALA 57 18.290 -1.038 15.210 453 HB1 ALA 57 1HB ALA 57 19.098 -3.267 15.915 454 HB2 ALA 57 2HB ALA 57 17.569 -2.836 16.717 455 HB3 ALA 57 3HB ALA 57 17.570 -3.988 15.361 456 H GLY 58 H GLY 58 20.327 -1.705 14.299 457 HA2 GLY 58 1HA GLY 58 20.362 -3.182 11.785 458 HA3 GLY 58 2HA GLY 58 20.476 -1.449 11.541 459 H ARG 59 H ARG 59 22.607 -2.145 10.619 460 HA ARG 59 HA ARG 59 24.616 -3.100 12.532 461 HB2 ARG 59 1HB ARG 59 24.813 -2.307 9.607 462 HB3 ARG 59 2HB ARG 59 26.150 -2.940 10.555 463 HG2 ARG 59 1HG ARG 59 25.171 -5.075 10.733 464 HG3 ARG 59 2HG ARG 59 23.574 -4.477 10.220 465 HD2 ARG 59 1HD ARG 59 26.037 -4.488 8.493 466 HD3 ARG 59 2HD ARG 59 24.780 -5.746 8.488 467 HE ARG 59 HE ARG 59 23.484 -3.296 8.118 468 HH11 ARG 59 1HH1 ARG 59 25.852 -5.281 6.446 469 HH12 ARG 59 2HH1 ARG 59 25.384 -4.721 4.856 470 HH21 ARG 59 1HH2 ARG 59 22.886 -2.577 6.049 471 HH22 ARG 59 2HH2 ARG 59 23.705 -3.190 4.631 472 H SER 60 H SER 60 23.410 -0.090 11.434 473 HA SER 60 HA SER 60 25.642 1.265 12.861 474 HB2 SER 60 1HB SER 60 25.801 2.979 11.172 475 HB3 SER 60 2HB SER 60 26.043 1.416 10.407 476 HG SER 60 HG SER 60 24.379 1.735 9.269 477 H LYS 61 H LYS 61 25.092 3.577 13.359 478 HA LYS 61 HA LYS 61 22.640 3.702 14.794 479 HB2 LYS 61 1HB LYS 61 24.560 5.878 13.887 480 HB3 LYS 61 2HB LYS 61 23.170 6.194 14.916 481 HG2 LYS 61 1HG LYS 61 24.078 4.666 16.625 482 HG3 LYS 61 2HG LYS 61 25.475 4.343 15.589 483 HD2 LYS 61 1HD LYS 61 26.072 6.747 15.647 484 HD3 LYS 61 2HD LYS 61 24.680 7.063 16.693 485 HE2 LYS 61 1HE LYS 61 25.617 5.580 18.419 486 HE3 LYS 61 2HE LYS 61 26.988 5.203 17.373 487 HZ1 LYS 61 1HZ LYS 61 27.534 6.888 18.970 488 HZ2 LYS 61 2HZ LYS 61 27.608 7.520 17.448 489 HZ3 LYS 61 3HZ LYS 61 26.328 7.872 18.427 490 H LYS 62 H LYS 62 23.555 4.944 11.594 491 HA LYS 62 HA LYS 62 21.082 6.355 11.164 492 HB2 LYS 62 1HB LYS 62 23.219 5.331 9.258 493 HB3 LYS 62 2HB LYS 62 21.821 6.256 8.725 494 HG2 LYS 62 1HG LYS 62 22.522 8.158 10.107 495 HG3 LYS 62 2HG LYS 62 23.905 7.228 10.702 496 HD2 LYS 62 1HD LYS 62 24.767 7.035 8.386 497 HD3 LYS 62 2HD LYS 62 23.389 7.979 7.800 498 HE2 LYS 62 1HE LYS 62 24.102 9.901 9.158 499 HE3 LYS 62 2HE LYS 62 25.450 8.964 9.808 500 HZ1 LYS 62 1HZ LYS 62 26.142 10.377 8.016 501 HZ2 LYS 62 2HZ LYS 62 26.331 8.796 7.583 502 HZ3 LYS 62 3HZ LYS 62 25.073 9.673 6.976 503 H GLU 63 H GLU 63 22.244 3.117 10.247 504 HA GLU 63 HA GLU 63 19.936 2.406 8.718 505 HB2 GLU 63 1HB GLU 63 22.149 1.210 8.670 506 HB3 GLU 63 2HB GLU 63 21.802 0.566 10.268 507 HG2 GLU 63 1HG GLU 63 19.988 -0.738 9.463 508 HG3 GLU 63 2HG GLU 63 19.972 0.103 7.914 509 H ALA 64 H ALA 64 20.747 2.027 12.157 510 HA ALA 64 HA ALA 64 18.404 0.527 12.834 511 HB1 ALA 64 1HB ALA 64 18.924 1.189 15.160 512 HB2 ALA 64 2HB ALA 64 20.373 0.620 14.298 513 HB3 ALA 64 3HB ALA 64 20.115 2.362 14.552 514 H LYS 65 H LYS 65 19.126 4.016 12.913 515 HA LYS 65 HA LYS 65 16.598 4.838 13.939 516 HB2 LYS 65 1HB LYS 65 18.653 6.230 12.189 517 HB3 LYS 65 2HB LYS 65 17.180 7.030 12.722 518 HG2 LYS 65 1HG LYS 65 17.834 6.711 15.070 519 HG3 LYS 65 2HG LYS 65 19.302 5.870 14.552 520 HD2 LYS 65 1HD LYS 65 20.029 7.913 13.338 521 HD3 LYS 65 2HD LYS 65 18.575 8.750 13.902 522 HE2 LYS 65 1HE LYS 65 19.287 8.408 16.247 523 HE3 LYS 65 2HE LYS 65 20.739 7.574 15.686 524 HZ1 LYS 65 1HZ LYS 65 21.177 9.862 16.196 525 HZ2 LYS 65 2HZ LYS 65 21.406 9.599 14.584 526 HZ3 LYS 65 3HZ LYS 65 20.050 10.378 15.109 527 H HIS 66 H HIS 66 17.721 4.243 10.622 528 HA HIS 66 HA HIS 66 15.377 5.086 9.250 529 HB2 HIS 66 1HB HIS 66 17.411 4.552 8.036 530 HB3 HIS 66 2HB HIS 66 17.372 2.889 8.603 531 HD2 HIS 66 HD2 HIS 66 16.153 1.183 6.862 532 HE1 HIS 66 HE1 HIS 66 13.999 4.094 4.615 533 H ALA 67 H ALA 67 16.237 1.864 10.539 534 HA ALA 67 HA ALA 67 13.834 0.588 9.727 535 HB1 ALA 67 1HB ALA 67 14.411 -1.123 11.418 536 HB2 ALA 67 2HB ALA 67 15.825 -0.657 10.442 537 HB3 ALA 67 3HB ALA 67 15.638 -0.028 12.095 538 H ALA 68 H ALA 68 14.691 2.219 12.778 539 HA ALA 68 HA ALA 68 12.232 1.557 14.092 540 HB1 ALA 68 1HB ALA 68 12.897 3.292 15.725 541 HB2 ALA 68 2HB ALA 68 14.248 2.202 15.333 542 HB3 ALA 68 3HB ALA 68 14.182 3.829 14.618 543 H ALA 69 H ALA 69 13.318 4.471 12.348 544 HA ALA 69 HA ALA 69 10.930 5.964 12.838 545 HB1 ALA 69 1HB ALA 69 11.720 7.414 10.996 546 HB2 ALA 69 2HB ALA 69 13.028 7.028 12.139 547 HB3 ALA 69 3HB ALA 69 12.942 6.194 10.571 548 H ARG 70 H ARG 70 11.920 3.831 10.173 549 HA ARG 70 HA ARG 70 9.634 4.334 8.528 550 HB2 ARG 70 1HB ARG 70 11.745 3.251 7.751 551 HB3 ARG 70 2HB ARG 70 11.334 1.821 8.686 552 HG2 ARG 70 1HG ARG 70 9.409 1.385 7.307 553 HG3 ARG 70 2HG ARG 70 9.623 2.929 6.448 554 HD2 ARG 70 1HD ARG 70 11.782 2.158 5.625 555 HD3 ARG 70 2HD ARG 70 11.535 0.606 6.459 556 HE ARG 70 HE ARG 70 9.310 1.126 4.786 557 HH11 ARG 70 1HH1 ARG 70 12.721 0.307 4.588 558 HH12 ARG 70 2HH1 ARG 70 12.560 -0.528 3.060 559 HH21 ARG 70 1HH2 ARG 70 9.114 0.039 2.802 560 HH22 ARG 70 2HH2 ARG 70 10.519 -0.681 2.048 561 H ALA 71 H ALA 71 10.305 1.927 11.061 562 HA ALA 71 HA ALA 71 7.889 0.461 10.822 563 HB1 ALA 71 1HB ALA 71 8.295 -0.202 13.171 564 HB2 ALA 71 2HB ALA 71 9.779 -0.298 12.192 565 HB3 ALA 71 3HB ALA 71 9.534 1.067 13.306 566 H LEU 72 H LEU 72 8.654 3.379 12.723 567 HA LEU 72 HA LEU 72 6.081 3.743 13.862 568 HB2 LEU 72 1HB LEU 72 8.015 5.033 14.587 569 HB3 LEU 72 2HB LEU 72 8.167 5.773 12.991 570 HG LEU 72 HG LEU 72 5.967 6.902 13.345 571 HD11 LEU 72 1HD1 LEU 72 5.008 6.913 15.605 572 HD12 LEU 72 2HD1 LEU 72 5.002 5.281 14.895 573 HD13 LEU 72 3HD1 LEU 72 6.215 5.713 16.123 574 HD21 LEU 72 1HD2 LEU 72 6.832 8.526 14.996 575 HD22 LEU 72 2HD2 LEU 72 8.067 7.349 15.507 576 HD23 LEU 72 3HD2 LEU 72 8.109 8.025 13.861 577 H ILE 73 H ILE 73 7.445 4.924 10.779 578 HA ILE 73 HA ILE 73 5.200 6.431 9.953 579 HB ILE 73 HB ILE 73 7.326 4.956 8.353 580 HG12 ILE 73 1HG1 ILE 73 6.948 7.917 8.836 581 HG13 ILE 73 2HG1 ILE 73 7.961 6.892 9.841 582 HG21 ILE 73 1HG2 ILE 73 6.567 6.267 6.413 583 HG22 ILE 73 2HG2 ILE 73 5.286 5.173 6.986 584 HG23 ILE 73 3HG2 ILE 73 5.212 6.909 7.371 585 HD11 ILE 73 1HD1 ILE 73 9.283 8.071 8.176 586 HD12 ILE 73 2HD1 ILE 73 9.336 6.315 7.888 587 HD13 ILE 73 3HD1 ILE 73 8.311 7.355 6.870 588 H ASP 74 H ASP 74 5.966 2.987 9.477 589 HA ASP 74 HA ASP 74 3.722 2.297 7.901 590 HB2 ASP 74 1HB ASP 74 5.315 0.736 9.961 591 HB3 ASP 74 2HB ASP 74 3.996 0.008 9.054 592 H LYS 75 H LYS 75 4.068 2.546 11.435 593 HA LYS 75 HA LYS 75 1.372 1.690 11.994 594 HB2 LYS 75 1HB LYS 75 3.395 3.273 13.622 595 HB3 LYS 75 2HB LYS 75 1.825 2.784 14.245 596 HG2 LYS 75 1HG LYS 75 2.442 0.401 13.834 597 HG3 LYS 75 2HG LYS 75 4.047 0.941 13.323 598 HD2 LYS 75 1HD LYS 75 4.371 2.012 15.549 599 HD3 LYS 75 2HD LYS 75 2.789 1.398 16.053 600 HE2 LYS 75 1HE LYS 75 3.621 -0.933 15.556 601 HE3 LYS 75 2HE LYS 75 5.222 -0.245 15.269 602 HZ1 LYS 75 1HZ LYS 75 4.996 -1.054 17.501 603 HZ2 LYS 75 2HZ LYS 75 5.205 0.582 17.522 604 HZ3 LYS 75 3HZ LYS 75 3.710 -0.062 17.790 605 H LEU 76 H LEU 76 2.897 4.831 11.420 606 HA LEU 76 HA LEU 76 0.623 6.415 12.145 607 HB2 LEU 76 1HB LEU 76 2.969 6.942 10.293 608 HB3 LEU 76 2HB LEU 76 1.752 8.159 10.687 609 HG LEU 76 HG LEU 76 3.537 6.795 12.733 610 HD11 LEU 76 1HD1 LEU 76 4.765 8.920 12.759 611 HD12 LEU 76 2HD1 LEU 76 4.846 8.133 11.166 612 HD13 LEU 76 3HD1 LEU 76 3.758 9.518 11.420 613 HD21 LEU 76 1HD2 LEU 76 2.726 8.618 14.192 614 HD22 LEU 76 2HD2 LEU 76 1.690 9.213 12.873 615 HD23 LEU 76 3HD2 LEU 76 1.374 7.621 13.603 616 H ILE 77 H ILE 77 1.696 4.972 9.080 617 HA ILE 77 HA ILE 77 -0.515 6.116 7.575 618 HB ILE 77 HB ILE 77 1.505 3.933 6.931 619 HG12 ILE 77 1HG1 ILE 77 1.221 6.727 5.812 620 HG13 ILE 77 2HG1 ILE 77 2.286 6.312 7.146 621 HG21 ILE 77 1HG2 ILE 77 0.667 4.062 4.620 622 HG22 ILE 77 2HG2 ILE 77 -0.604 3.499 5.731 623 HG23 ILE 77 3HG2 ILE 77 -0.616 5.178 5.144 624 HD11 ILE 77 1HD1 ILE 77 3.504 6.393 5.043 625 HD12 ILE 77 2HD1 ILE 77 3.502 4.739 5.702 626 HD13 ILE 77 3HD1 ILE 77 2.424 5.161 4.350 627 H GLY 78 H GLY 78 0.203 2.979 9.089 628 HA2 GLY 78 1HA GLY 78 -1.432 1.360 9.730 629 HA3 GLY 78 2HA GLY 78 -2.625 2.165 8.728 630 H ALA 79 H ALA 79 0.618 1.468 7.555 631 HA ALA 79 HA ALA 79 0.011 -0.971 6.192 632 HB1 ALA 79 1HB ALA 79 -0.202 -0.092 3.890 633 HB2 ALA 79 2HB ALA 79 -1.554 0.430 4.923 634 HB3 ALA 79 3HB ALA 79 -0.241 1.565 4.535 635 H GLN 80 H GLN 80 1.616 -1.421 4.406 636 HA GLN 80 HA GLN 80 4.241 -0.824 5.472 637 HB2 GLN 80 1HB GLN 80 3.801 -3.013 4.503 638 HB3 GLN 80 2HB GLN 80 3.338 -2.295 2.966 639 HG2 GLN 80 1HG GLN 80 5.530 -3.202 2.748 640 HG3 GLN 80 2HG GLN 80 5.668 -1.421 2.735 641 HE21 GLN 80 1HE2 GLN 80 8.022 -1.393 5.264 642 HE22 GLN 80 2HE2 GLN 80 7.347 -0.683 3.835 643 H LEU 81 H LEU 81 5.482 0.846 5.072 644 HA LEU 81 HA LEU 81 4.883 2.838 3.115 645 HB2 LEU 81 1HB LEU 81 6.231 3.223 5.169 646 HB3 LEU 81 2HB LEU 81 7.528 2.236 4.487 647 HG LEU 81 HG LEU 81 7.685 3.913 2.595 648 HD11 LEU 81 1HD1 LEU 81 6.679 6.119 2.978 649 HD12 LEU 81 2HD1 LEU 81 5.441 4.852 2.810 650 HD13 LEU 81 3HD1 LEU 81 5.849 5.490 4.421 651 HD21 LEU 81 1HD2 LEU 81 8.909 5.553 3.981 652 HD22 LEU 81 2HD2 LEU 81 8.111 4.917 5.440 653 HD23 LEU 81 3HD2 LEU 81 9.236 3.888 4.521 654 HA PRO 82 HA PRO 82 6.304 0.702 -0.491 655 HB2 PRO 82 1HB PRO 82 6.143 3.547 -1.538 656 HB3 PRO 82 2HB PRO 82 5.506 2.060 -2.253 657 HG2 PRO 82 1HG PRO 82 3.805 3.702 -1.029 658 HG3 PRO 82 2HG PRO 82 3.658 1.964 -0.755 659 HD2 PRO 82 1HD PRO 82 4.965 4.077 1.009 660 HD3 PRO 82 2HD PRO 82 3.865 2.722 1.483 661 H GLU 83 H GLU 83 8.257 0.627 -1.671 662 HA GLU 83 HA GLU 83 10.350 2.593 -0.869 663 HB2 GLU 83 1HB GLU 83 10.588 0.575 0.550 664 HB3 GLU 83 2HB GLU 83 10.663 -0.437 -0.885 665 HG2 GLU 83 1HG GLU 83 12.750 0.601 -1.565 666 HG3 GLU 83 2HG GLU 83 12.657 1.739 -0.223
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